USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 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 7 THR OG1 : rot -170:sc= 0.304 USER MOD Set 1.2: A 9 THR OG1 : rot -42:sc= 0.143 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.0581 (180deg=-0.242) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -8.67! C(o=-8.7!,f=-6.1!) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0192 (180deg=-0.184) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.244 K(o=0.24,f=-8.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -110:sc= -1.65! (180deg=-3.59!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= -0.0354 (180deg=-0.41) USER MOD Single : A 40 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.8) USER MOD Single : A 41 GLN : amide:sc= -10.2! C(o=-10!,f=-17!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.563 K(o=-0.56,f=-0.025) USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.44! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.277 USER MOD Single : A 60 ASN : amide:sc= -5.84! C(o=-5.8!,f=-5.4!) USER MOD Single : A 62 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.046) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 112:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.88! K(o=-2.9!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.746 -20.025 -1.838 1.00 0.00 N ATOM 2 CA MET A 1 3.415 -19.092 -2.947 1.00 0.00 C ATOM 3 C MET A 1 4.291 -17.844 -2.899 1.00 0.00 C ATOM 4 O MET A 1 3.877 -16.803 -2.391 1.00 0.00 O ATOM 5 CB MET A 1 1.939 -18.706 -2.836 1.00 0.00 C ATOM 6 CG MET A 1 1.239 -18.585 -4.176 1.00 0.00 C ATOM 7 SD MET A 1 0.543 -16.946 -4.453 1.00 0.00 S ATOM 8 CE MET A 1 -1.080 -17.141 -3.722 1.00 0.00 C ATOM 0 H1 MET A 1 3.135 -20.864 -1.896 1.00 0.00 H new ATOM 0 H2 MET A 1 4.742 -20.316 -1.915 1.00 0.00 H new ATOM 0 H3 MET A 1 3.594 -19.548 -0.926 1.00 0.00 H new ATOM 0 HA MET A 1 3.603 -19.588 -3.899 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.422 -19.451 -2.232 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.860 -17.756 -2.307 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.947 -18.814 -4.973 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.443 -19.328 -4.234 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.775 -16.442 -4.188 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.430 -18.161 -3.880 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.024 -16.938 -2.652 1.00 0.00 H new ATOM 20 N GLN A 2 5.502 -17.958 -3.433 1.00 0.00 N ATOM 21 CA GLN A 2 6.438 -16.838 -3.452 1.00 0.00 C ATOM 22 C GLN A 2 5.966 -15.754 -4.416 1.00 0.00 C ATOM 23 O GLN A 2 5.791 -16.005 -5.609 1.00 0.00 O ATOM 24 CB GLN A 2 7.833 -17.320 -3.849 1.00 0.00 C ATOM 25 CG GLN A 2 8.922 -16.283 -3.625 1.00 0.00 C ATOM 26 CD GLN A 2 9.056 -15.883 -2.170 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.735 -16.550 -1.389 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.406 -14.787 -1.796 1.00 0.00 N ATOM 0 H GLN A 2 5.859 -18.814 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 2 6.481 -16.413 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.074 -18.217 -3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.824 -17.604 -4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.874 -16.679 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.704 -15.398 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.855 -14.264 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.458 -14.468 -0.829 1.00 0.00 H new ATOM 37 N LEU A 3 5.764 -14.550 -3.893 1.00 0.00 N ATOM 38 CA LEU A 3 5.312 -13.428 -4.708 1.00 0.00 C ATOM 39 C LEU A 3 6.221 -12.216 -4.519 1.00 0.00 C ATOM 40 O LEU A 3 6.859 -12.064 -3.478 1.00 0.00 O ATOM 41 CB LEU A 3 3.871 -13.061 -4.352 1.00 0.00 C ATOM 42 CG LEU A 3 2.870 -14.215 -4.427 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.648 -13.918 -3.573 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.464 -14.474 -5.871 1.00 0.00 C ATOM 0 H LEU A 3 5.906 -14.326 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 3 5.354 -13.730 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.856 -12.652 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.538 -12.268 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 3 3.349 -15.113 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.947 -14.750 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.953 -13.782 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.166 -13.008 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.751 -15.298 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.003 -13.578 -6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.347 -14.732 -6.456 1.00 0.00 H new ATOM 56 N PHE A 4 6.274 -11.358 -5.532 1.00 0.00 N ATOM 57 CA PHE A 4 7.104 -10.161 -5.476 1.00 0.00 C ATOM 58 C PHE A 4 6.244 -8.905 -5.369 1.00 0.00 C ATOM 59 O PHE A 4 5.173 -8.822 -5.970 1.00 0.00 O ATOM 60 CB PHE A 4 7.999 -10.075 -6.715 1.00 0.00 C ATOM 61 CG PHE A 4 8.691 -11.367 -7.045 1.00 0.00 C ATOM 62 CD1 PHE A 4 9.906 -11.690 -6.451 1.00 0.00 C ATOM 63 CD2 PHE A 4 8.128 -12.261 -7.948 1.00 0.00 C ATOM 64 CE1 PHE A 4 10.548 -12.881 -6.754 1.00 0.00 C ATOM 65 CE2 PHE A 4 8.764 -13.454 -8.254 1.00 0.00 C ATOM 66 CZ PHE A 4 9.975 -13.764 -7.656 1.00 0.00 C ATOM 0 H PHE A 4 5.752 -11.469 -6.401 1.00 0.00 H new ATOM 0 HA PHE A 4 7.731 -10.227 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.395 -9.767 -7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.749 -9.300 -6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.355 -11.006 -5.746 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.184 -12.024 -8.417 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.493 -13.120 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.316 -14.141 -8.957 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.472 -14.693 -7.893 1.00 0.00 H new ATOM 76 N VAL A 5 6.721 -7.932 -4.600 1.00 0.00 N ATOM 77 CA VAL A 5 5.996 -6.681 -4.414 1.00 0.00 C ATOM 78 C VAL A 5 6.938 -5.483 -4.492 1.00 0.00 C ATOM 79 O VAL A 5 7.862 -5.355 -3.688 1.00 0.00 O ATOM 80 CB VAL A 5 5.260 -6.653 -3.061 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.265 -5.505 -3.016 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.564 -7.981 -2.804 1.00 0.00 C ATOM 0 H VAL A 5 7.606 -7.986 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 5 5.263 -6.618 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 5 5.996 -6.495 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.756 -5.503 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.793 -4.561 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.532 -5.627 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.050 -7.942 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.840 -8.172 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.303 -8.782 -2.788 1.00 0.00 H new ATOM 92 N LYS A 6 6.699 -4.610 -5.465 1.00 0.00 N ATOM 93 CA LYS A 6 7.527 -3.423 -5.648 1.00 0.00 C ATOM 94 C LYS A 6 6.911 -2.216 -4.950 1.00 0.00 C ATOM 95 O LYS A 6 5.703 -1.987 -5.032 1.00 0.00 O ATOM 96 CB LYS A 6 7.709 -3.126 -7.138 1.00 0.00 C ATOM 97 CG LYS A 6 6.399 -2.985 -7.896 1.00 0.00 C ATOM 98 CD LYS A 6 6.634 -2.837 -9.390 1.00 0.00 C ATOM 99 CE LYS A 6 7.498 -1.626 -9.702 1.00 0.00 C ATOM 100 NZ LYS A 6 6.887 -0.364 -9.200 1.00 0.00 N ATOM 0 H LYS A 6 5.939 -4.702 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 6 8.502 -3.620 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.284 -2.207 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.296 -3.925 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.774 -3.858 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.854 -2.117 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.115 -3.737 -9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.676 -2.743 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.482 -1.757 -9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.647 -1.554 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.403 0.451 -9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.892 -0.318 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.939 -0.342 -8.162 1.00 0.00 H new ATOM 114 N THR A 7 7.747 -1.446 -4.262 1.00 0.00 N ATOM 115 CA THR A 7 7.285 -0.261 -3.550 1.00 0.00 C ATOM 116 C THR A 7 7.445 0.988 -4.412 1.00 0.00 C ATOM 117 O THR A 7 7.573 0.900 -5.633 1.00 0.00 O ATOM 118 CB THR A 7 8.057 -0.095 -2.241 1.00 0.00 C ATOM 119 OG1 THR A 7 9.381 0.345 -2.491 1.00 0.00 O ATOM 120 CG2 THR A 7 8.143 -1.371 -1.432 1.00 0.00 C ATOM 0 H THR A 7 8.749 -1.622 -4.183 1.00 0.00 H new ATOM 0 HA THR A 7 6.226 -0.391 -3.325 1.00 0.00 H new ATOM 0 HB THR A 7 7.497 0.644 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.904 0.294 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.703 -1.184 -0.516 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.138 -1.710 -1.180 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.649 -2.139 -2.017 1.00 0.00 H new ATOM 128 N LEU A 8 7.438 2.151 -3.767 1.00 0.00 N ATOM 129 CA LEU A 8 7.581 3.418 -4.475 1.00 0.00 C ATOM 130 C LEU A 8 9.050 3.719 -4.762 1.00 0.00 C ATOM 131 O LEU A 8 9.368 4.552 -5.609 1.00 0.00 O ATOM 132 CB LEU A 8 6.965 4.555 -3.658 1.00 0.00 C ATOM 133 CG LEU A 8 6.682 5.837 -4.444 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.310 5.769 -5.098 1.00 0.00 C ATOM 135 CD2 LEU A 8 6.784 7.052 -3.536 1.00 0.00 C ATOM 0 H LEU A 8 7.335 2.242 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 8 7.054 3.336 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.032 4.202 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.635 4.794 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 8 7.431 5.933 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.125 6.689 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.274 4.920 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.546 5.649 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.580 7.955 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.057 6.965 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.788 7.109 -3.116 1.00 0.00 H new ATOM 147 N THR A 9 9.938 3.035 -4.048 1.00 0.00 N ATOM 148 CA THR A 9 11.373 3.229 -4.226 1.00 0.00 C ATOM 149 C THR A 9 11.953 2.188 -5.180 1.00 0.00 C ATOM 150 O THR A 9 13.165 2.132 -5.389 1.00 0.00 O ATOM 151 CB THR A 9 12.088 3.156 -2.876 1.00 0.00 C ATOM 152 OG1 THR A 9 12.149 1.819 -2.414 1.00 0.00 O ATOM 153 CG2 THR A 9 11.420 3.984 -1.801 1.00 0.00 C ATOM 0 H THR A 9 9.690 2.342 -3.342 1.00 0.00 H new ATOM 0 HA THR A 9 11.529 4.216 -4.661 1.00 0.00 H new ATOM 0 HB THR A 9 13.085 3.558 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.290 1.376 -2.579 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.977 3.888 -0.869 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.401 5.030 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.400 3.631 -1.652 1.00 0.00 H new ATOM 161 N GLY A 10 11.081 1.367 -5.757 1.00 0.00 N ATOM 162 CA GLY A 10 11.529 0.342 -6.681 1.00 0.00 C ATOM 163 C GLY A 10 11.894 -0.951 -5.979 1.00 0.00 C ATOM 164 O GLY A 10 11.787 -2.032 -6.560 1.00 0.00 O ATOM 0 H GLY A 10 10.073 1.393 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.743 0.146 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.394 0.708 -7.234 1.00 0.00 H new ATOM 168 N LYS A 11 12.327 -0.841 -4.728 1.00 0.00 N ATOM 169 CA LYS A 11 12.709 -2.011 -3.946 1.00 0.00 C ATOM 170 C LYS A 11 11.775 -3.182 -4.231 1.00 0.00 C ATOM 171 O LYS A 11 10.553 -3.033 -4.211 1.00 0.00 O ATOM 172 CB LYS A 11 12.694 -1.679 -2.454 1.00 0.00 C ATOM 173 CG LYS A 11 13.790 -2.374 -1.664 1.00 0.00 C ATOM 174 CD LYS A 11 13.250 -2.993 -0.385 1.00 0.00 C ATOM 175 CE LYS A 11 13.181 -4.508 -0.486 1.00 0.00 C ATOM 176 NZ LYS A 11 13.012 -5.148 0.848 1.00 0.00 N ATOM 0 H LYS A 11 12.422 0.046 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 11 13.720 -2.299 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.796 -0.601 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.726 -1.958 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.247 -3.149 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.574 -1.657 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.887 -2.712 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.256 -2.595 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.350 -4.791 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.091 -4.882 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.969 -6.181 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.818 -4.899 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.131 -4.811 1.285 1.00 0.00 H new ATOM 190 N THR A 12 12.358 -4.346 -4.496 1.00 0.00 N ATOM 191 CA THR A 12 11.576 -5.543 -4.786 1.00 0.00 C ATOM 192 C THR A 12 11.486 -6.447 -3.560 1.00 0.00 C ATOM 193 O THR A 12 12.481 -7.030 -3.131 1.00 0.00 O ATOM 194 CB THR A 12 12.195 -6.311 -5.955 1.00 0.00 C ATOM 195 OG1 THR A 12 12.831 -5.423 -6.857 1.00 0.00 O ATOM 196 CG2 THR A 12 11.186 -7.120 -6.741 1.00 0.00 C ATOM 0 H THR A 12 13.368 -4.486 -4.516 1.00 0.00 H new ATOM 0 HA THR A 12 10.568 -5.230 -5.058 1.00 0.00 H new ATOM 0 HB THR A 12 12.912 -6.996 -5.503 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.222 -5.933 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.691 -7.640 -7.555 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.713 -7.849 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.426 -6.455 -7.151 1.00 0.00 H new ATOM 204 N LEU A 13 10.285 -6.560 -3.003 1.00 0.00 N ATOM 205 CA LEU A 13 10.061 -7.393 -1.830 1.00 0.00 C ATOM 206 C LEU A 13 9.610 -8.793 -2.240 1.00 0.00 C ATOM 207 O LEU A 13 8.834 -8.954 -3.181 1.00 0.00 O ATOM 208 CB LEU A 13 9.019 -6.745 -0.911 1.00 0.00 C ATOM 209 CG LEU A 13 8.115 -7.720 -0.152 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.916 -8.494 0.884 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.962 -6.976 0.507 1.00 0.00 C ATOM 0 H LEU A 13 9.451 -6.084 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 13 11.002 -7.482 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.539 -6.119 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.391 -6.085 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 13 7.700 -8.432 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.257 -9.182 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.705 -9.058 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.360 -7.798 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.330 -7.685 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.357 -6.241 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.372 -6.469 -0.257 1.00 0.00 H new ATOM 223 N THR A 14 10.103 -9.801 -1.528 1.00 0.00 N ATOM 224 CA THR A 14 9.750 -11.186 -1.819 1.00 0.00 C ATOM 225 C THR A 14 9.057 -11.835 -0.626 1.00 0.00 C ATOM 226 O THR A 14 9.711 -12.266 0.324 1.00 0.00 O ATOM 227 CB THR A 14 11.000 -11.984 -2.194 1.00 0.00 C ATOM 228 OG1 THR A 14 11.816 -11.247 -3.086 1.00 0.00 O ATOM 229 CG2 THR A 14 10.687 -13.311 -2.849 1.00 0.00 C ATOM 0 H THR A 14 10.748 -9.685 -0.746 1.00 0.00 H new ATOM 0 HA THR A 14 9.059 -11.189 -2.662 1.00 0.00 H new ATOM 0 HB THR A 14 11.515 -12.174 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.611 -11.773 -3.313 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.617 -13.826 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.099 -13.924 -2.166 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.120 -13.140 -3.764 1.00 0.00 H new ATOM 237 N VAL A 15 7.731 -11.901 -0.682 1.00 0.00 N ATOM 238 CA VAL A 15 6.950 -12.498 0.394 1.00 0.00 C ATOM 239 C VAL A 15 6.275 -13.785 -0.068 1.00 0.00 C ATOM 240 O VAL A 15 6.086 -14.003 -1.265 1.00 0.00 O ATOM 241 CB VAL A 15 5.873 -11.527 0.914 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.516 -10.358 1.644 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.999 -11.037 -0.229 1.00 0.00 C ATOM 0 H VAL A 15 7.175 -11.548 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 15 7.646 -12.723 1.202 1.00 0.00 H new ATOM 0 HB VAL A 15 5.239 -12.061 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.740 -9.683 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.094 -10.731 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.176 -9.822 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.244 -10.352 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.616 -10.519 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.509 -11.888 -0.703 1.00 0.00 H new ATOM 253 N GLU A 16 5.916 -14.636 0.886 1.00 0.00 N ATOM 254 CA GLU A 16 5.264 -15.902 0.576 1.00 0.00 C ATOM 255 C GLU A 16 3.930 -16.018 1.306 1.00 0.00 C ATOM 256 O GLU A 16 3.863 -15.867 2.526 1.00 0.00 O ATOM 257 CB GLU A 16 6.170 -17.073 0.955 1.00 0.00 C ATOM 258 CG GLU A 16 6.563 -17.089 2.424 1.00 0.00 C ATOM 259 CD GLU A 16 7.943 -16.511 2.664 1.00 0.00 C ATOM 260 OE1 GLU A 16 8.896 -16.948 1.986 1.00 0.00 O ATOM 261 OE2 GLU A 16 8.071 -15.620 3.530 1.00 0.00 O ATOM 0 H GLU A 16 6.066 -14.472 1.881 1.00 0.00 H new ATOM 0 HA GLU A 16 5.075 -15.932 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.663 -18.007 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.073 -17.034 0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.831 -16.522 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.533 -18.114 2.793 1.00 0.00 H new ATOM 268 N LEU A 17 2.870 -16.290 0.552 1.00 0.00 N ATOM 269 CA LEU A 17 1.538 -16.429 1.127 1.00 0.00 C ATOM 270 C LEU A 17 0.772 -17.563 0.455 1.00 0.00 C ATOM 271 O LEU A 17 1.320 -18.292 -0.372 1.00 0.00 O ATOM 272 CB LEU A 17 0.760 -15.119 0.987 1.00 0.00 C ATOM 273 CG LEU A 17 1.127 -14.036 2.003 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.918 -12.653 1.406 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.311 -14.200 3.276 1.00 0.00 C ATOM 0 H LEU A 17 2.908 -16.419 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 17 1.649 -16.666 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.921 -14.724 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.305 -15.335 1.078 1.00 0.00 H new ATOM 0 HG LEU A 17 2.182 -14.144 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.184 -11.895 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.548 -12.539 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.128 -12.533 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.586 -13.421 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.750 -14.119 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.512 -15.178 3.714 1.00 0.00 H new ATOM 287 N GLU A 18 -0.500 -17.708 0.815 1.00 0.00 N ATOM 288 CA GLU A 18 -1.341 -18.754 0.246 1.00 0.00 C ATOM 289 C GLU A 18 -2.494 -18.152 -0.549 1.00 0.00 C ATOM 290 O GLU A 18 -2.916 -17.024 -0.296 1.00 0.00 O ATOM 291 CB GLU A 18 -1.884 -19.656 1.355 1.00 0.00 C ATOM 292 CG GLU A 18 -0.805 -20.442 2.081 1.00 0.00 C ATOM 293 CD GLU A 18 -0.635 -21.845 1.533 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.335 -22.189 0.557 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.197 -22.599 2.077 1.00 0.00 O ATOM 0 H GLU A 18 -0.970 -17.114 1.498 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.731 -19.351 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.425 -19.045 2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.603 -20.353 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.142 -19.908 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.053 -20.498 3.141 1.00 0.00 H new ATOM 302 N PRO A 19 -3.019 -18.905 -1.526 1.00 0.00 N ATOM 303 CA PRO A 19 -4.132 -18.451 -2.369 1.00 0.00 C ATOM 304 C PRO A 19 -5.413 -18.234 -1.569 1.00 0.00 C ATOM 305 O PRO A 19 -6.328 -17.545 -2.020 1.00 0.00 O ATOM 306 CB PRO A 19 -4.316 -19.594 -3.373 1.00 0.00 C ATOM 307 CG PRO A 19 -3.705 -20.785 -2.717 1.00 0.00 C ATOM 308 CD PRO A 19 -2.570 -20.260 -1.886 1.00 0.00 C ATOM 0 HA PRO A 19 -3.920 -17.489 -2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.371 -19.761 -3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.826 -19.370 -4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.434 -21.307 -2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.348 -21.499 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.398 -20.876 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.636 -20.239 -2.447 1.00 0.00 H new ATOM 316 N SER A 20 -5.470 -18.824 -0.380 1.00 0.00 N ATOM 317 CA SER A 20 -6.639 -18.693 0.482 1.00 0.00 C ATOM 318 C SER A 20 -6.593 -17.384 1.263 1.00 0.00 C ATOM 319 O SER A 20 -7.624 -16.875 1.700 1.00 0.00 O ATOM 320 CB SER A 20 -6.721 -19.876 1.449 1.00 0.00 C ATOM 321 OG SER A 20 -5.894 -19.668 2.581 1.00 0.00 O ATOM 0 H SER A 20 -4.721 -19.397 0.009 1.00 0.00 H new ATOM 0 HA SER A 20 -7.527 -18.688 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.753 -20.017 1.770 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.419 -20.790 0.937 1.00 0.00 H new ATOM 0 HG SER A 20 -5.966 -20.437 3.184 1.00 0.00 H new ATOM 327 N ASP A 21 -5.390 -16.845 1.433 1.00 0.00 N ATOM 328 CA ASP A 21 -5.210 -15.594 2.160 1.00 0.00 C ATOM 329 C ASP A 21 -6.031 -14.475 1.528 1.00 0.00 C ATOM 330 O ASP A 21 -6.649 -14.662 0.479 1.00 0.00 O ATOM 331 CB ASP A 21 -3.730 -15.205 2.188 1.00 0.00 C ATOM 332 CG ASP A 21 -2.876 -16.232 2.905 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.449 -17.158 3.518 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.634 -16.111 2.855 1.00 0.00 O ATOM 0 H ASP A 21 -4.526 -17.255 1.077 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.559 -15.742 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.369 -15.086 1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.620 -14.238 2.680 1.00 0.00 H new ATOM 339 N THR A 22 -6.035 -13.313 2.171 1.00 0.00 N ATOM 340 CA THR A 22 -6.781 -12.164 1.672 1.00 0.00 C ATOM 341 C THR A 22 -5.905 -10.916 1.641 1.00 0.00 C ATOM 342 O THR A 22 -4.829 -10.885 2.239 1.00 0.00 O ATOM 343 CB THR A 22 -8.013 -11.914 2.543 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.633 -11.565 3.862 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.937 -13.110 2.633 1.00 0.00 C ATOM 0 H THR A 22 -5.529 -13.142 3.040 1.00 0.00 H new ATOM 0 HA THR A 22 -7.101 -12.385 0.654 1.00 0.00 H new ATOM 0 HB THR A 22 -8.548 -11.098 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.435 -11.408 4.403 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.790 -12.864 3.266 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.289 -13.374 1.636 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.398 -13.955 3.063 1.00 0.00 H new ATOM 353 N VAL A 23 -6.374 -9.887 0.943 1.00 0.00 N ATOM 354 CA VAL A 23 -5.634 -8.637 0.838 1.00 0.00 C ATOM 355 C VAL A 23 -5.083 -8.218 2.196 1.00 0.00 C ATOM 356 O VAL A 23 -3.931 -7.800 2.308 1.00 0.00 O ATOM 357 CB VAL A 23 -6.516 -7.504 0.282 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.735 -6.201 0.216 1.00 0.00 C ATOM 359 CG2 VAL A 23 -7.061 -7.877 -1.089 1.00 0.00 C ATOM 0 H VAL A 23 -7.263 -9.895 0.442 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.809 -8.812 0.148 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.359 -7.360 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.375 -5.413 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.398 -5.928 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.871 -6.327 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.682 -7.065 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.232 -8.049 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.660 -8.784 -1.008 1.00 0.00 H new ATOM 369 N GLU A 24 -5.915 -8.339 3.226 1.00 0.00 N ATOM 370 CA GLU A 24 -5.511 -7.978 4.579 1.00 0.00 C ATOM 371 C GLU A 24 -4.205 -8.670 4.953 1.00 0.00 C ATOM 372 O GLU A 24 -3.249 -8.024 5.384 1.00 0.00 O ATOM 373 CB GLU A 24 -6.606 -8.353 5.579 1.00 0.00 C ATOM 374 CG GLU A 24 -7.521 -7.196 5.940 1.00 0.00 C ATOM 375 CD GLU A 24 -7.876 -7.171 7.415 1.00 0.00 C ATOM 376 OE1 GLU A 24 -7.503 -8.124 8.131 1.00 0.00 O ATOM 377 OE2 GLU A 24 -8.525 -6.197 7.853 1.00 0.00 O ATOM 0 H GLU A 24 -6.872 -8.684 3.149 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.356 -6.900 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.205 -9.163 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.141 -8.735 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.037 -6.257 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.436 -7.264 5.351 1.00 0.00 H new ATOM 384 N ASN A 25 -4.169 -9.988 4.780 1.00 0.00 N ATOM 385 CA ASN A 25 -2.977 -10.765 5.095 1.00 0.00 C ATOM 386 C ASN A 25 -1.758 -10.186 4.389 1.00 0.00 C ATOM 387 O ASN A 25 -0.728 -9.929 5.014 1.00 0.00 O ATOM 388 CB ASN A 25 -3.172 -12.228 4.690 1.00 0.00 C ATOM 389 CG ASN A 25 -4.413 -12.840 5.310 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.088 -13.664 4.692 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.722 -12.439 6.537 1.00 0.00 N ATOM 0 H ASN A 25 -4.950 -10.538 4.424 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.812 -10.716 6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.241 -12.295 3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.297 -12.805 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.547 -12.816 7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.135 -11.754 7.013 1.00 0.00 H new ATOM 398 N LEU A 26 -1.882 -9.979 3.081 1.00 0.00 N ATOM 399 CA LEU A 26 -0.789 -9.424 2.291 1.00 0.00 C ATOM 400 C LEU A 26 -0.300 -8.113 2.898 1.00 0.00 C ATOM 401 O LEU A 26 0.848 -8.009 3.334 1.00 0.00 O ATOM 402 CB LEU A 26 -1.240 -9.195 0.847 1.00 0.00 C ATOM 403 CG LEU A 26 -0.125 -8.807 -0.126 1.00 0.00 C ATOM 404 CD1 LEU A 26 0.884 -9.936 -0.261 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.706 -8.445 -1.485 1.00 0.00 C ATOM 0 H LEU A 26 -2.726 -10.187 2.548 1.00 0.00 H new ATOM 0 HA LEU A 26 0.034 -10.139 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.718 -10.104 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.997 -8.411 0.839 1.00 0.00 H new ATOM 0 HG LEU A 26 0.390 -7.933 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.669 -9.641 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.324 -10.149 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.383 -10.829 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.101 -8.172 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.247 -9.301 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.389 -7.603 -1.376 1.00 0.00 H new ATOM 417 N LYS A 27 -1.178 -7.116 2.928 1.00 0.00 N ATOM 418 CA LYS A 27 -0.834 -5.816 3.490 1.00 0.00 C ATOM 419 C LYS A 27 -0.223 -5.977 4.877 1.00 0.00 C ATOM 420 O LYS A 27 0.784 -5.348 5.201 1.00 0.00 O ATOM 421 CB LYS A 27 -2.075 -4.924 3.566 1.00 0.00 C ATOM 422 CG LYS A 27 -2.850 -4.844 2.261 1.00 0.00 C ATOM 423 CD LYS A 27 -3.785 -3.647 2.240 1.00 0.00 C ATOM 424 CE LYS A 27 -4.246 -3.323 0.827 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.498 -2.517 0.821 1.00 0.00 N ATOM 0 H LYS A 27 -2.131 -7.183 2.570 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.099 -5.345 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.735 -5.300 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.772 -3.919 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.152 -4.777 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.426 -5.759 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.652 -3.850 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.278 -2.781 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.460 -2.776 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.409 -4.250 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.778 -2.318 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.255 -3.048 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.336 -1.621 1.323 1.00 0.00 H new ATOM 439 N ALA A 28 -0.836 -6.832 5.691 1.00 0.00 N ATOM 440 CA ALA A 28 -0.350 -7.082 7.040 1.00 0.00 C ATOM 441 C ALA A 28 1.161 -7.278 7.042 1.00 0.00 C ATOM 442 O ALA A 28 1.884 -6.609 7.781 1.00 0.00 O ATOM 443 CB ALA A 28 -1.044 -8.299 7.634 1.00 0.00 C ATOM 0 H ALA A 28 -1.670 -7.362 5.438 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.582 -6.212 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.671 -8.474 8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.119 -8.123 7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.840 -9.173 7.015 1.00 0.00 H new ATOM 449 N LYS A 29 1.633 -8.196 6.204 1.00 0.00 N ATOM 450 CA LYS A 29 3.060 -8.475 6.105 1.00 0.00 C ATOM 451 C LYS A 29 3.821 -7.229 5.667 1.00 0.00 C ATOM 452 O LYS A 29 4.912 -6.949 6.162 1.00 0.00 O ATOM 453 CB LYS A 29 3.313 -9.616 5.117 1.00 0.00 C ATOM 454 CG LYS A 29 3.280 -10.993 5.759 1.00 0.00 C ATOM 455 CD LYS A 29 2.329 -11.927 5.029 1.00 0.00 C ATOM 456 CE LYS A 29 2.244 -13.282 5.715 1.00 0.00 C ATOM 457 NZ LYS A 29 0.870 -13.569 6.213 1.00 0.00 N ATOM 0 H LYS A 29 1.049 -8.758 5.585 1.00 0.00 H new ATOM 0 HA LYS A 29 3.418 -8.775 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.564 -9.574 4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.284 -9.468 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.283 -11.420 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.974 -10.902 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.337 -11.477 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.665 -12.059 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.547 -14.062 5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.945 -13.311 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.864 -13.537 7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.210 -12.857 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.575 -14.514 5.894 1.00 0.00 H new ATOM 471 N ILE A 30 3.233 -6.479 4.740 1.00 0.00 N ATOM 472 CA ILE A 30 3.852 -5.259 4.239 1.00 0.00 C ATOM 473 C ILE A 30 4.149 -4.292 5.381 1.00 0.00 C ATOM 474 O ILE A 30 5.095 -3.507 5.315 1.00 0.00 O ATOM 475 CB ILE A 30 2.955 -4.555 3.204 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.646 -5.498 2.039 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.622 -3.283 2.701 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.097 -4.791 0.819 1.00 0.00 C ATOM 0 H ILE A 30 2.329 -6.696 4.321 1.00 0.00 H new ATOM 0 HA ILE A 30 4.785 -5.550 3.756 1.00 0.00 H new ATOM 0 HB ILE A 30 2.016 -4.283 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.556 -6.030 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.926 -6.247 2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.975 -2.797 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.795 -2.607 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.575 -3.532 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.901 -5.520 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.170 -4.281 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.824 -4.061 0.463 1.00 0.00 H new ATOM 490 N GLN A 31 3.332 -4.357 6.428 1.00 0.00 N ATOM 491 CA GLN A 31 3.504 -3.491 7.588 1.00 0.00 C ATOM 492 C GLN A 31 4.502 -4.096 8.571 1.00 0.00 C ATOM 493 O GLN A 31 5.078 -3.391 9.399 1.00 0.00 O ATOM 494 CB GLN A 31 2.162 -3.259 8.282 1.00 0.00 C ATOM 495 CG GLN A 31 2.273 -2.456 9.568 1.00 0.00 C ATOM 496 CD GLN A 31 0.921 -2.143 10.179 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.089 -2.753 9.827 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.895 -1.186 11.101 1.00 0.00 N ATOM 0 H GLN A 31 2.544 -5.001 6.496 1.00 0.00 H new ATOM 0 HA GLN A 31 3.894 -2.534 7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.493 -2.740 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.706 -4.224 8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.873 -3.012 10.288 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.801 -1.524 9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.756 -0.706 11.363 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.014 -0.931 11.547 1.00 0.00 H new ATOM 507 N ASP A 32 4.699 -5.406 8.473 1.00 0.00 N ATOM 508 CA ASP A 32 5.627 -6.108 9.353 1.00 0.00 C ATOM 509 C ASP A 32 7.028 -6.143 8.752 1.00 0.00 C ATOM 510 O ASP A 32 8.001 -6.448 9.441 1.00 0.00 O ATOM 511 CB ASP A 32 5.137 -7.528 9.615 1.00 0.00 C ATOM 512 CG ASP A 32 4.943 -7.811 11.091 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.861 -7.504 11.880 1.00 0.00 O ATOM 514 OD2 ASP A 32 3.872 -8.340 11.458 1.00 0.00 O ATOM 0 H ASP A 32 4.229 -6.004 7.793 1.00 0.00 H new ATOM 0 HA ASP A 32 5.671 -5.567 10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.194 -7.686 9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.854 -8.238 9.203 1.00 0.00 H new ATOM 519 N LYS A 33 7.122 -5.829 7.464 1.00 0.00 N ATOM 520 CA LYS A 33 8.405 -5.826 6.769 1.00 0.00 C ATOM 521 C LYS A 33 8.759 -4.422 6.288 1.00 0.00 C ATOM 522 O LYS A 33 9.803 -3.877 6.645 1.00 0.00 O ATOM 523 CB LYS A 33 8.370 -6.790 5.583 1.00 0.00 C ATOM 524 CG LYS A 33 8.495 -8.251 5.982 1.00 0.00 C ATOM 525 CD LYS A 33 9.882 -8.795 5.677 1.00 0.00 C ATOM 526 CE LYS A 33 9.813 -10.176 5.047 1.00 0.00 C ATOM 527 NZ LYS A 33 10.004 -10.125 3.573 1.00 0.00 N ATOM 0 H LYS A 33 6.326 -5.573 6.880 1.00 0.00 H new ATOM 0 HA LYS A 33 9.171 -6.155 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.436 -6.649 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.179 -6.539 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.287 -8.358 7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.747 -8.840 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.402 -8.113 5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.466 -8.842 6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.577 -10.815 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.848 -10.630 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.274 -10.702 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.927 -9.140 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.945 -10.497 3.332 1.00 0.00 H new ATOM 541 N GLU A 34 7.882 -3.843 5.474 1.00 0.00 N ATOM 542 CA GLU A 34 8.101 -2.503 4.941 1.00 0.00 C ATOM 543 C GLU A 34 7.488 -1.444 5.854 1.00 0.00 C ATOM 544 O GLU A 34 7.668 -0.245 5.638 1.00 0.00 O ATOM 545 CB GLU A 34 7.505 -2.387 3.537 1.00 0.00 C ATOM 546 CG GLU A 34 8.351 -3.048 2.460 1.00 0.00 C ATOM 547 CD GLU A 34 9.713 -2.400 2.310 1.00 0.00 C ATOM 548 OE1 GLU A 34 10.596 -2.672 3.152 1.00 0.00 O ATOM 549 OE2 GLU A 34 9.898 -1.622 1.352 1.00 0.00 O ATOM 0 H GLU A 34 7.013 -4.281 5.169 1.00 0.00 H new ATOM 0 HA GLU A 34 9.176 -2.333 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.512 -2.837 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.378 -1.333 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.479 -4.103 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.823 -3.000 1.508 1.00 0.00 H new ATOM 556 N GLY A 35 6.766 -1.893 6.875 1.00 0.00 N ATOM 557 CA GLY A 35 6.142 -0.973 7.804 1.00 0.00 C ATOM 558 C GLY A 35 5.203 0.001 7.117 1.00 0.00 C ATOM 559 O GLY A 35 5.060 1.144 7.550 1.00 0.00 O ATOM 0 H GLY A 35 6.602 -2.880 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.588 -1.539 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.915 -0.415 8.332 1.00 0.00 H new ATOM 563 N ILE A 36 4.562 -0.453 6.046 1.00 0.00 N ATOM 564 CA ILE A 36 3.632 0.385 5.300 1.00 0.00 C ATOM 565 C ILE A 36 2.194 0.134 5.741 1.00 0.00 C ATOM 566 O ILE A 36 1.710 -0.998 5.694 1.00 0.00 O ATOM 567 CB ILE A 36 3.741 0.136 3.784 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.196 0.263 3.327 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.854 1.109 3.021 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.407 -0.092 1.872 1.00 0.00 C ATOM 0 H ILE A 36 4.670 -1.397 5.675 1.00 0.00 H new ATOM 0 HA ILE A 36 3.901 1.420 5.510 1.00 0.00 H new ATOM 0 HB ILE A 36 3.400 -0.878 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.533 1.286 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.820 -0.384 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.943 0.920 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.817 0.974 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.166 2.131 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.461 0.021 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.102 -1.124 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.810 0.571 1.245 1.00 0.00 H new ATOM 582 N PRO A 37 1.492 1.188 6.180 1.00 0.00 N ATOM 583 CA PRO A 37 0.101 1.083 6.634 1.00 0.00 C ATOM 584 C PRO A 37 -0.833 0.613 5.525 1.00 0.00 C ATOM 585 O PRO A 37 -0.724 1.053 4.380 1.00 0.00 O ATOM 586 CB PRO A 37 -0.256 2.512 7.060 1.00 0.00 C ATOM 587 CG PRO A 37 1.051 3.204 7.246 1.00 0.00 C ATOM 588 CD PRO A 37 1.995 2.567 6.270 1.00 0.00 C ATOM 0 HA PRO A 37 -0.007 0.351 7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.860 3.009 6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.837 2.514 7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.957 4.273 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.411 3.091 8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.975 3.068 5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.025 2.599 6.624 1.00 0.00 H new ATOM 596 N PRO A 38 -1.770 -0.288 5.854 1.00 0.00 N ATOM 597 CA PRO A 38 -2.733 -0.819 4.884 1.00 0.00 C ATOM 598 C PRO A 38 -3.694 0.253 4.382 1.00 0.00 C ATOM 599 O PRO A 38 -4.231 0.152 3.280 1.00 0.00 O ATOM 600 CB PRO A 38 -3.490 -1.889 5.676 1.00 0.00 C ATOM 601 CG PRO A 38 -3.319 -1.500 7.105 1.00 0.00 C ATOM 602 CD PRO A 38 -1.964 -0.856 7.198 1.00 0.00 C ATOM 0 HA PRO A 38 -2.241 -1.204 3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.543 -1.916 5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.084 -2.883 5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.102 -0.809 7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.383 -2.371 7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.936 -0.086 7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.189 -1.582 7.444 1.00 0.00 H new ATOM 610 N ASP A 39 -3.904 1.278 5.200 1.00 0.00 N ATOM 611 CA ASP A 39 -4.799 2.372 4.839 1.00 0.00 C ATOM 612 C ASP A 39 -4.230 3.171 3.671 1.00 0.00 C ATOM 613 O ASP A 39 -4.965 3.851 2.954 1.00 0.00 O ATOM 614 CB ASP A 39 -5.026 3.291 6.040 1.00 0.00 C ATOM 615 CG ASP A 39 -6.441 3.832 6.096 1.00 0.00 C ATOM 616 OD1 ASP A 39 -7.387 3.019 6.115 1.00 0.00 O ATOM 617 OD2 ASP A 39 -6.601 5.071 6.120 1.00 0.00 O ATOM 0 H ASP A 39 -3.467 1.375 6.117 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.754 1.945 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.813 2.743 6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.324 4.123 5.995 1.00 0.00 H new ATOM 622 N GLN A 40 -2.917 3.082 3.486 1.00 0.00 N ATOM 623 CA GLN A 40 -2.246 3.794 2.405 1.00 0.00 C ATOM 624 C GLN A 40 -1.623 2.813 1.417 1.00 0.00 C ATOM 625 O GLN A 40 -0.787 3.190 0.595 1.00 0.00 O ATOM 626 CB GLN A 40 -1.169 4.724 2.969 1.00 0.00 C ATOM 627 CG GLN A 40 -1.584 5.428 4.250 1.00 0.00 C ATOM 628 CD GLN A 40 -1.027 6.835 4.348 1.00 0.00 C ATOM 629 OE1 GLN A 40 -1.155 7.633 3.418 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.404 7.148 5.478 1.00 0.00 N ATOM 0 H GLN A 40 -2.296 2.523 4.071 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.990 4.392 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.264 4.146 3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.917 5.473 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.672 5.467 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.244 4.846 5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.321 6.456 6.223 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.009 8.080 5.601 1.00 0.00 H new ATOM 639 N GLN A 41 -2.034 1.551 1.505 1.00 0.00 N ATOM 640 CA GLN A 41 -1.514 0.514 0.621 1.00 0.00 C ATOM 641 C GLN A 41 -2.369 0.386 -0.636 1.00 0.00 C ATOM 642 O GLN A 41 -3.548 0.041 -0.564 1.00 0.00 O ATOM 643 CB GLN A 41 -1.464 -0.829 1.352 1.00 0.00 C ATOM 644 CG GLN A 41 -0.151 -1.081 2.075 1.00 0.00 C ATOM 645 CD GLN A 41 -0.052 -2.491 2.625 1.00 0.00 C ATOM 646 OE1 GLN A 41 -0.053 -3.465 1.874 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.035 -2.605 3.946 1.00 0.00 N ATOM 0 H GLN A 41 -2.725 1.223 2.179 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.505 0.800 0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.280 -0.871 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.633 -1.631 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.678 -0.903 1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.047 -0.367 2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.032 -1.770 4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.105 -3.528 4.375 1.00 0.00 H new ATOM 656 N ARG A 42 -1.765 0.663 -1.787 1.00 0.00 N ATOM 657 CA ARG A 42 -2.471 0.574 -3.061 1.00 0.00 C ATOM 658 C ARG A 42 -1.858 -0.507 -3.944 1.00 0.00 C ATOM 659 O ARG A 42 -0.789 -0.317 -4.526 1.00 0.00 O ATOM 660 CB ARG A 42 -2.438 1.923 -3.783 1.00 0.00 C ATOM 661 CG ARG A 42 -3.735 2.707 -3.667 1.00 0.00 C ATOM 662 CD ARG A 42 -3.653 4.031 -4.409 1.00 0.00 C ATOM 663 NE ARG A 42 -4.912 4.367 -5.070 1.00 0.00 N ATOM 664 CZ ARG A 42 -5.994 4.788 -4.423 1.00 0.00 C ATOM 665 NH1 ARG A 42 -5.971 4.919 -3.104 1.00 0.00 N ATOM 666 NH2 ARG A 42 -7.100 5.077 -5.095 1.00 0.00 N ATOM 0 H ARG A 42 -0.789 0.951 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.508 0.307 -2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.623 2.523 -3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.217 1.756 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.557 2.114 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.958 2.891 -2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.389 4.823 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.856 3.982 -5.151 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.963 4.273 -6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.122 4.697 -2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.802 5.242 -2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.121 4.976 -6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.930 5.400 -4.597 1.00 0.00 H new ATOM 680 N LEU A 43 -2.540 -1.644 -4.039 1.00 0.00 N ATOM 681 CA LEU A 43 -2.062 -2.758 -4.850 1.00 0.00 C ATOM 682 C LEU A 43 -2.584 -2.657 -6.280 1.00 0.00 C ATOM 683 O LEU A 43 -3.789 -2.735 -6.519 1.00 0.00 O ATOM 684 CB LEU A 43 -2.495 -4.089 -4.231 1.00 0.00 C ATOM 685 CG LEU A 43 -1.906 -4.382 -2.850 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.635 -5.547 -2.197 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.417 -4.676 -2.957 1.00 0.00 C ATOM 0 H LEU A 43 -3.426 -1.818 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.973 -2.713 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.582 -4.101 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.214 -4.896 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.038 -3.499 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.203 -5.742 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.691 -5.300 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.534 -6.435 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.015 -4.882 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.263 -5.543 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.094 -3.813 -3.384 1.00 0.00 H new ATOM 699 N ILE A 44 -1.668 -2.486 -7.227 1.00 0.00 N ATOM 700 CA ILE A 44 -2.034 -2.374 -8.634 1.00 0.00 C ATOM 701 C ILE A 44 -1.492 -3.554 -9.436 1.00 0.00 C ATOM 702 O ILE A 44 -0.378 -3.502 -9.958 1.00 0.00 O ATOM 703 CB ILE A 44 -1.509 -1.063 -9.249 1.00 0.00 C ATOM 704 CG1 ILE A 44 -1.799 0.114 -8.317 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.134 -0.832 -10.616 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.268 0.282 -7.994 1.00 0.00 C ATOM 0 H ILE A 44 -0.666 -2.422 -7.046 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.123 -2.375 -8.680 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.429 -1.144 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.245 -0.023 -7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.429 1.031 -8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.753 0.098 -11.038 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.880 -1.661 -11.277 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.217 -0.768 -10.515 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.399 1.135 -7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.826 0.451 -8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.638 -0.619 -7.505 1.00 0.00 H new ATOM 718 N PHE A 45 -2.287 -4.616 -9.529 1.00 0.00 N ATOM 719 CA PHE A 45 -1.886 -5.808 -10.267 1.00 0.00 C ATOM 720 C PHE A 45 -2.557 -5.855 -11.635 1.00 0.00 C ATOM 721 O PHE A 45 -3.745 -6.158 -11.745 1.00 0.00 O ATOM 722 CB PHE A 45 -2.237 -7.066 -9.471 1.00 0.00 C ATOM 723 CG PHE A 45 -1.727 -8.334 -10.095 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.453 -8.388 -10.648 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.522 -9.474 -10.128 1.00 0.00 C ATOM 726 CE1 PHE A 45 0.019 -9.557 -11.224 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.054 -10.647 -10.703 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.782 -10.687 -11.251 1.00 0.00 C ATOM 0 H PHE A 45 -3.212 -4.675 -9.103 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.807 -5.767 -10.415 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.827 -6.976 -8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.320 -7.131 -9.369 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.176 -7.510 -10.629 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.514 -9.446 -9.702 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.010 -9.587 -11.651 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.680 -11.527 -10.723 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.415 -11.599 -11.699 1.00 0.00 H new ATOM 738 N ALA A 46 -1.789 -5.554 -12.678 1.00 0.00 N ATOM 739 CA ALA A 46 -2.309 -5.562 -14.039 1.00 0.00 C ATOM 740 C ALA A 46 -3.387 -4.499 -14.221 1.00 0.00 C ATOM 741 O ALA A 46 -4.382 -4.723 -14.912 1.00 0.00 O ATOM 742 CB ALA A 46 -2.857 -6.938 -14.386 1.00 0.00 C ATOM 0 H ALA A 46 -0.803 -5.301 -12.605 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.488 -5.329 -14.717 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.242 -6.930 -15.406 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.061 -7.678 -14.305 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.661 -7.194 -13.696 1.00 0.00 H new ATOM 748 N GLY A 47 -3.183 -3.344 -13.599 1.00 0.00 N ATOM 749 CA GLY A 47 -4.146 -2.264 -13.705 1.00 0.00 C ATOM 750 C GLY A 47 -5.329 -2.446 -12.775 1.00 0.00 C ATOM 751 O GLY A 47 -6.245 -1.624 -12.757 1.00 0.00 O ATOM 0 H GLY A 47 -2.368 -3.136 -13.023 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.653 -1.319 -13.479 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.503 -2.200 -14.733 1.00 0.00 H new ATOM 755 N LYS A 48 -5.310 -3.527 -12.002 1.00 0.00 N ATOM 756 CA LYS A 48 -6.390 -3.815 -11.066 1.00 0.00 C ATOM 757 C LYS A 48 -6.019 -3.368 -9.656 1.00 0.00 C ATOM 758 O LYS A 48 -4.858 -3.448 -9.252 1.00 0.00 O ATOM 759 CB LYS A 48 -6.712 -5.311 -11.070 1.00 0.00 C ATOM 760 CG LYS A 48 -7.936 -5.666 -11.896 1.00 0.00 C ATOM 761 CD LYS A 48 -7.889 -7.111 -12.367 1.00 0.00 C ATOM 762 CE LYS A 48 -8.499 -7.265 -13.752 1.00 0.00 C ATOM 763 NZ LYS A 48 -7.909 -8.414 -14.494 1.00 0.00 N ATOM 0 H LYS A 48 -4.559 -4.217 -12.005 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.272 -3.260 -11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.852 -5.858 -11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.867 -5.644 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.836 -5.504 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.999 -5.003 -12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.855 -7.456 -12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.425 -7.743 -11.659 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.576 -7.406 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.345 -6.348 -14.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.351 -8.485 -15.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.885 -8.268 -14.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.078 -9.293 -13.964 1.00 0.00 H new ATOM 777 N GLN A 49 -7.012 -2.895 -8.910 1.00 0.00 N ATOM 778 CA GLN A 49 -6.790 -2.435 -7.545 1.00 0.00 C ATOM 779 C GLN A 49 -7.344 -3.434 -6.535 1.00 0.00 C ATOM 780 O GLN A 49 -8.555 -3.521 -6.333 1.00 0.00 O ATOM 781 CB GLN A 49 -7.441 -1.066 -7.334 1.00 0.00 C ATOM 782 CG GLN A 49 -6.455 0.024 -6.947 1.00 0.00 C ATOM 783 CD GLN A 49 -6.962 1.414 -7.279 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.226 1.730 -8.439 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.099 2.252 -6.259 1.00 0.00 N ATOM 0 H GLN A 49 -7.978 -2.820 -9.228 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.715 -2.348 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.954 -0.772 -8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.200 -1.150 -6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.251 -0.039 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.510 -0.147 -7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.868 1.947 -5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.435 3.201 -6.421 1.00 0.00 H new ATOM 794 N LEU A 50 -6.449 -4.188 -5.905 1.00 0.00 N ATOM 795 CA LEU A 50 -6.851 -5.181 -4.916 1.00 0.00 C ATOM 796 C LEU A 50 -7.705 -4.545 -3.824 1.00 0.00 C ATOM 797 O LEU A 50 -7.262 -3.632 -3.128 1.00 0.00 O ATOM 798 CB LEU A 50 -5.618 -5.841 -4.294 1.00 0.00 C ATOM 799 CG LEU A 50 -4.603 -6.391 -5.299 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.781 -7.506 -4.671 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.310 -6.887 -6.551 1.00 0.00 C ATOM 0 H LEU A 50 -5.443 -4.130 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.446 -5.941 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.117 -5.113 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.947 -6.656 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.926 -5.585 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.065 -7.885 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.246 -7.119 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.443 -8.314 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.574 -7.275 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.009 -7.679 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.854 -6.063 -7.012 1.00 0.00 H new ATOM 813 N GLU A 51 -8.932 -5.034 -3.679 1.00 0.00 N ATOM 814 CA GLU A 51 -9.849 -4.512 -2.672 1.00 0.00 C ATOM 815 C GLU A 51 -9.763 -5.326 -1.384 1.00 0.00 C ATOM 816 O GLU A 51 -9.894 -6.550 -1.402 1.00 0.00 O ATOM 817 CB GLU A 51 -11.284 -4.524 -3.203 1.00 0.00 C ATOM 818 CG GLU A 51 -11.483 -3.662 -4.438 1.00 0.00 C ATOM 819 CD GLU A 51 -11.431 -2.178 -4.127 1.00 0.00 C ATOM 820 OE1 GLU A 51 -11.645 -1.810 -2.952 1.00 0.00 O ATOM 821 OE2 GLU A 51 -11.175 -1.385 -5.057 1.00 0.00 O ATOM 0 H GLU A 51 -9.314 -5.791 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.560 -3.484 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.567 -5.550 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.956 -4.179 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.715 -3.903 -5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.444 -3.901 -4.893 1.00 0.00 H new ATOM 828 N ASP A 52 -9.545 -4.638 -0.268 1.00 0.00 N ATOM 829 CA ASP A 52 -9.443 -5.298 1.028 1.00 0.00 C ATOM 830 C ASP A 52 -10.692 -6.124 1.318 1.00 0.00 C ATOM 831 O ASP A 52 -11.699 -5.600 1.794 1.00 0.00 O ATOM 832 CB ASP A 52 -9.234 -4.264 2.136 1.00 0.00 C ATOM 833 CG ASP A 52 -9.500 -4.833 3.515 1.00 0.00 C ATOM 834 OD1 ASP A 52 -8.715 -5.695 3.965 1.00 0.00 O ATOM 835 OD2 ASP A 52 -10.493 -4.415 4.148 1.00 0.00 O ATOM 0 H ASP A 52 -9.436 -3.624 -0.235 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.584 -5.968 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.211 -3.890 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.893 -3.413 1.964 1.00 0.00 H new ATOM 840 N GLY A 53 -10.619 -7.419 1.028 1.00 0.00 N ATOM 841 CA GLY A 53 -11.750 -8.297 1.263 1.00 0.00 C ATOM 842 C GLY A 53 -11.734 -9.516 0.361 1.00 0.00 C ATOM 843 O GLY A 53 -12.364 -10.528 0.666 1.00 0.00 O ATOM 0 H GLY A 53 -9.796 -7.876 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.746 -8.619 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.675 -7.743 1.104 1.00 0.00 H new ATOM 847 N ARG A 54 -11.015 -9.416 -0.750 1.00 0.00 N ATOM 848 CA ARG A 54 -10.920 -10.518 -1.700 1.00 0.00 C ATOM 849 C ARG A 54 -9.729 -11.415 -1.376 1.00 0.00 C ATOM 850 O ARG A 54 -8.799 -11.004 -0.682 1.00 0.00 O ATOM 851 CB ARG A 54 -10.794 -9.981 -3.127 1.00 0.00 C ATOM 852 CG ARG A 54 -12.130 -9.805 -3.831 1.00 0.00 C ATOM 853 CD ARG A 54 -13.205 -9.318 -2.874 1.00 0.00 C ATOM 854 NE ARG A 54 -14.237 -8.544 -3.559 1.00 0.00 N ATOM 855 CZ ARG A 54 -15.157 -9.084 -4.353 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.171 -10.393 -4.560 1.00 0.00 N ATOM 857 NH2 ARG A 54 -16.064 -8.315 -4.939 1.00 0.00 N ATOM 0 H ARG A 54 -10.489 -8.583 -1.016 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.831 -11.111 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.277 -9.022 -3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.173 -10.662 -3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.020 -9.093 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.437 -10.753 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.663 -10.173 -2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.748 -8.705 -2.097 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.253 -7.534 -3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.475 -10.988 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.877 -10.805 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.057 -7.307 -4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.769 -8.731 -5.548 1.00 0.00 H new ATOM 871 N THR A 55 -9.764 -12.642 -1.886 1.00 0.00 N ATOM 872 CA THR A 55 -8.688 -13.598 -1.653 1.00 0.00 C ATOM 873 C THR A 55 -7.679 -13.568 -2.796 1.00 0.00 C ATOM 874 O THR A 55 -8.046 -13.385 -3.957 1.00 0.00 O ATOM 875 CB THR A 55 -9.258 -15.008 -1.495 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.951 -15.403 -2.667 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.214 -15.140 -0.330 1.00 0.00 C ATOM 0 H THR A 55 -10.526 -12.997 -2.463 1.00 0.00 H new ATOM 0 HA THR A 55 -8.176 -13.316 -0.733 1.00 0.00 H new ATOM 0 HB THR A 55 -8.396 -15.649 -1.311 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.307 -16.308 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.581 -16.165 -0.275 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.696 -14.890 0.596 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.055 -14.460 -0.470 1.00 0.00 H new ATOM 885 N LEU A 56 -6.406 -13.751 -2.462 1.00 0.00 N ATOM 886 CA LEU A 56 -5.345 -13.745 -3.462 1.00 0.00 C ATOM 887 C LEU A 56 -5.786 -14.479 -4.723 1.00 0.00 C ATOM 888 O LEU A 56 -5.543 -14.019 -5.839 1.00 0.00 O ATOM 889 CB LEU A 56 -4.078 -14.390 -2.899 1.00 0.00 C ATOM 890 CG LEU A 56 -3.572 -13.790 -1.587 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.089 -14.075 -1.406 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.837 -12.292 -1.550 1.00 0.00 C ATOM 0 H LEU A 56 -6.084 -13.905 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.130 -12.708 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.267 -15.452 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.287 -14.312 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.113 -14.256 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.747 -13.640 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.925 -15.152 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.531 -13.637 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.471 -11.881 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.322 -11.811 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.908 -12.110 -1.633 1.00 0.00 H new ATOM 904 N SER A 57 -6.435 -15.624 -4.539 1.00 0.00 N ATOM 905 CA SER A 57 -6.910 -16.424 -5.660 1.00 0.00 C ATOM 906 C SER A 57 -7.948 -15.659 -6.474 1.00 0.00 C ATOM 907 O SER A 57 -7.928 -15.684 -7.705 1.00 0.00 O ATOM 908 CB SER A 57 -7.510 -17.739 -5.157 1.00 0.00 C ATOM 909 OG SER A 57 -8.524 -18.205 -6.030 1.00 0.00 O ATOM 0 H SER A 57 -6.644 -16.019 -3.622 1.00 0.00 H new ATOM 0 HA SER A 57 -6.058 -16.643 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.726 -18.491 -5.072 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.923 -17.595 -4.159 1.00 0.00 H new ATOM 0 HG SER A 57 -8.890 -19.047 -5.687 1.00 0.00 H new ATOM 915 N ASP A 58 -8.853 -14.977 -5.780 1.00 0.00 N ATOM 916 CA ASP A 58 -9.899 -14.202 -6.437 1.00 0.00 C ATOM 917 C ASP A 58 -9.308 -13.279 -7.498 1.00 0.00 C ATOM 918 O ASP A 58 -9.924 -13.035 -8.536 1.00 0.00 O ATOM 919 CB ASP A 58 -10.680 -13.383 -5.408 1.00 0.00 C ATOM 920 CG ASP A 58 -11.488 -14.255 -4.466 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.705 -15.440 -4.795 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.901 -13.752 -3.401 1.00 0.00 O ATOM 0 H ASP A 58 -8.883 -14.945 -4.761 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.579 -14.899 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.985 -12.775 -4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.349 -12.696 -5.927 1.00 0.00 H new ATOM 927 N TYR A 59 -8.112 -12.767 -7.230 1.00 0.00 N ATOM 928 CA TYR A 59 -7.439 -11.868 -8.161 1.00 0.00 C ATOM 929 C TYR A 59 -6.453 -12.633 -9.038 1.00 0.00 C ATOM 930 O TYR A 59 -5.474 -12.068 -9.527 1.00 0.00 O ATOM 931 CB TYR A 59 -6.710 -10.761 -7.398 1.00 0.00 C ATOM 932 CG TYR A 59 -7.637 -9.839 -6.637 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.727 -9.242 -7.268 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.422 -9.562 -5.288 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.578 -8.395 -6.574 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.268 -8.717 -4.588 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.345 -8.136 -5.235 1.00 0.00 C ATOM 938 OH TYR A 59 -10.187 -7.297 -4.543 1.00 0.00 O ATOM 0 H TYR A 59 -7.588 -12.959 -6.376 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.195 -11.418 -8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.008 -11.215 -6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.123 -10.172 -8.102 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.912 -9.442 -8.313 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.582 -10.013 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.419 -7.940 -7.076 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.088 -8.513 -3.543 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.011 -7.163 -5.057 1.00 0.00 H new ATOM 948 N ASN A 60 -6.716 -13.921 -9.230 1.00 0.00 N ATOM 949 CA ASN A 60 -5.852 -14.766 -10.046 1.00 0.00 C ATOM 950 C ASN A 60 -4.382 -14.460 -9.779 1.00 0.00 C ATOM 951 O ASN A 60 -3.727 -13.774 -10.563 1.00 0.00 O ATOM 952 CB ASN A 60 -6.164 -14.567 -11.531 1.00 0.00 C ATOM 953 CG ASN A 60 -5.846 -13.163 -12.005 1.00 0.00 C ATOM 954 OD1 ASN A 60 -4.785 -12.915 -12.578 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.766 -12.236 -11.769 1.00 0.00 N ATOM 0 H ASN A 60 -7.522 -14.403 -8.831 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.043 -15.805 -9.777 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.592 -15.284 -12.119 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.218 -14.778 -11.709 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.608 -11.273 -12.066 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.631 -12.486 -11.291 1.00 0.00 H new ATOM 962 N LEU A 61 -3.869 -14.976 -8.666 1.00 0.00 N ATOM 963 CA LEU A 61 -2.476 -14.760 -8.295 1.00 0.00 C ATOM 964 C LEU A 61 -1.651 -16.021 -8.528 1.00 0.00 C ATOM 965 O LEU A 61 -1.806 -17.016 -7.819 1.00 0.00 O ATOM 966 CB LEU A 61 -2.376 -14.332 -6.830 1.00 0.00 C ATOM 967 CG LEU A 61 -2.276 -12.823 -6.600 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.862 -12.527 -5.168 1.00 0.00 C ATOM 969 CD2 LEU A 61 -1.297 -12.198 -7.582 1.00 0.00 C ATOM 0 H LEU A 61 -4.398 -15.546 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.077 -13.965 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.250 -14.708 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.502 -14.810 -6.387 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.259 -12.383 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.796 -11.449 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.602 -12.940 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.891 -12.980 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.239 -11.124 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.311 -12.643 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.639 -12.379 -8.601 1.00 0.00 H new ATOM 981 N GLN A 62 -0.775 -15.974 -9.525 1.00 0.00 N ATOM 982 CA GLN A 62 0.074 -17.112 -9.853 1.00 0.00 C ATOM 983 C GLN A 62 1.387 -17.054 -9.079 1.00 0.00 C ATOM 984 O GLN A 62 1.627 -16.121 -8.313 1.00 0.00 O ATOM 985 CB GLN A 62 0.356 -17.150 -11.356 1.00 0.00 C ATOM 986 CG GLN A 62 -0.815 -17.659 -12.182 1.00 0.00 C ATOM 987 CD GLN A 62 -0.780 -17.158 -13.612 1.00 0.00 C ATOM 988 OE1 GLN A 62 -0.844 -17.943 -14.559 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.678 -15.844 -13.776 1.00 0.00 N ATOM 0 H GLN A 62 -0.634 -15.158 -10.121 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.455 -18.021 -9.567 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.619 -16.148 -11.693 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.222 -17.786 -11.539 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.808 -18.749 -12.182 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.748 -17.346 -11.714 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.628 -15.231 -12.962 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.650 -15.448 -14.716 1.00 0.00 H new ATOM 998 N LYS A 63 2.233 -18.059 -9.282 1.00 0.00 N ATOM 999 CA LYS A 63 3.522 -18.122 -8.603 1.00 0.00 C ATOM 1000 C LYS A 63 4.531 -17.189 -9.263 1.00 0.00 C ATOM 1001 O LYS A 63 4.542 -17.032 -10.484 1.00 0.00 O ATOM 1002 CB LYS A 63 4.056 -19.555 -8.610 1.00 0.00 C ATOM 1003 CG LYS A 63 4.827 -19.921 -7.352 1.00 0.00 C ATOM 1004 CD LYS A 63 5.778 -21.081 -7.599 1.00 0.00 C ATOM 1005 CE LYS A 63 6.602 -21.398 -6.360 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.907 -22.023 -6.706 1.00 0.00 N ATOM 0 H LYS A 63 2.049 -18.841 -9.911 1.00 0.00 H new ATOM 0 HA LYS A 63 3.377 -17.800 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.221 -20.245 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.705 -19.688 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.390 -19.055 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.127 -20.185 -6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.209 -21.963 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.443 -20.838 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.777 -20.482 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.039 -22.069 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.438 -22.223 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.741 -22.911 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.456 -21.373 -7.304 1.00 0.00 H new ATOM 1020 N GLU A 64 5.380 -16.571 -8.447 1.00 0.00 N ATOM 1021 CA GLU A 64 6.393 -15.652 -8.951 1.00 0.00 C ATOM 1022 C GLU A 64 5.748 -14.483 -9.689 1.00 0.00 C ATOM 1023 O GLU A 64 6.135 -14.153 -10.810 1.00 0.00 O ATOM 1024 CB GLU A 64 7.362 -16.385 -9.880 1.00 0.00 C ATOM 1025 CG GLU A 64 8.733 -16.621 -9.268 1.00 0.00 C ATOM 1026 CD GLU A 64 9.064 -18.094 -9.127 1.00 0.00 C ATOM 1027 OE1 GLU A 64 8.214 -18.846 -8.604 1.00 0.00 O ATOM 1028 OE2 GLU A 64 10.171 -18.495 -9.542 1.00 0.00 O ATOM 0 H GLU A 64 5.386 -16.691 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 64 6.947 -15.259 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.928 -17.345 -10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.478 -15.809 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.490 -16.140 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.775 -16.148 -8.287 1.00 0.00 H new ATOM 1035 N SER A 65 4.762 -13.860 -9.051 1.00 0.00 N ATOM 1036 CA SER A 65 4.063 -12.727 -9.646 1.00 0.00 C ATOM 1037 C SER A 65 4.597 -11.410 -9.092 1.00 0.00 C ATOM 1038 O SER A 65 5.018 -11.335 -7.938 1.00 0.00 O ATOM 1039 CB SER A 65 2.560 -12.834 -9.384 1.00 0.00 C ATOM 1040 OG SER A 65 2.039 -14.051 -9.891 1.00 0.00 O ATOM 0 H SER A 65 4.429 -14.121 -8.123 1.00 0.00 H new ATOM 0 HA SER A 65 4.238 -12.746 -10.722 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.369 -12.771 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.046 -11.993 -9.849 1.00 0.00 H new ATOM 0 HG SER A 65 1.763 -14.624 -9.146 1.00 0.00 H new ATOM 1046 N THR A 66 4.576 -10.373 -9.923 1.00 0.00 N ATOM 1047 CA THR A 66 5.059 -9.058 -9.516 1.00 0.00 C ATOM 1048 C THR A 66 3.907 -8.067 -9.396 1.00 0.00 C ATOM 1049 O THR A 66 3.274 -7.710 -10.390 1.00 0.00 O ATOM 1050 CB THR A 66 6.091 -8.538 -10.518 1.00 0.00 C ATOM 1051 OG1 THR A 66 7.334 -9.195 -10.346 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.339 -7.050 -10.404 1.00 0.00 C ATOM 0 H THR A 66 4.230 -10.417 -10.882 1.00 0.00 H new ATOM 0 HA THR A 66 5.530 -9.159 -8.538 1.00 0.00 H new ATOM 0 HB THR A 66 5.668 -8.745 -11.501 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.980 -8.849 -10.997 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.081 -6.747 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.408 -6.511 -10.582 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.707 -6.818 -9.404 1.00 0.00 H new ATOM 1060 N ILE A 67 3.639 -7.624 -8.171 1.00 0.00 N ATOM 1061 CA ILE A 67 2.564 -6.674 -7.921 1.00 0.00 C ATOM 1062 C ILE A 67 3.119 -5.293 -7.588 1.00 0.00 C ATOM 1063 O ILE A 67 4.121 -5.168 -6.885 1.00 0.00 O ATOM 1064 CB ILE A 67 1.656 -7.142 -6.767 1.00 0.00 C ATOM 1065 CG1 ILE A 67 0.985 -8.469 -7.124 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.614 -6.082 -6.450 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.125 -9.526 -6.050 1.00 0.00 C ATOM 0 H ILE A 67 4.153 -7.909 -7.337 1.00 0.00 H new ATOM 0 HA ILE A 67 1.974 -6.616 -8.836 1.00 0.00 H new ATOM 0 HB ILE A 67 2.270 -7.295 -5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.074 -8.292 -7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.415 -8.846 -8.052 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.019 -6.427 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.112 -5.158 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.001 -5.899 -7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.625 -10.440 -6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.181 -9.732 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.669 -9.169 -5.126 1.00 0.00 H new ATOM 1079 N HIS A 68 2.461 -4.257 -8.100 1.00 0.00 N ATOM 1080 CA HIS A 68 2.890 -2.884 -7.858 1.00 0.00 C ATOM 1081 C HIS A 68 2.193 -2.302 -6.634 1.00 0.00 C ATOM 1082 O HIS A 68 0.965 -2.229 -6.581 1.00 0.00 O ATOM 1083 CB HIS A 68 2.602 -2.014 -9.083 1.00 0.00 C ATOM 1084 CG HIS A 68 2.988 -2.657 -10.379 1.00 0.00 C ATOM 1085 ND1 HIS A 68 2.863 -2.028 -11.599 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.502 -3.882 -10.641 1.00 0.00 C ATOM 1087 CE1 HIS A 68 3.281 -2.838 -12.555 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.675 -3.970 -12.000 1.00 0.00 N ATOM 0 H HIS A 68 1.629 -4.342 -8.685 1.00 0.00 H new ATOM 0 HA HIS A 68 3.964 -2.895 -7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.539 -1.776 -9.108 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.137 -1.070 -8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.733 -4.648 -9.915 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.298 -2.613 -13.611 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.047 -4.778 -12.500 1.00 0.00 H new ATOM 1097 N LEU A 69 2.985 -1.886 -5.652 1.00 0.00 N ATOM 1098 CA LEU A 69 2.446 -1.306 -4.427 1.00 0.00 C ATOM 1099 C LEU A 69 2.837 0.162 -4.305 1.00 0.00 C ATOM 1100 O LEU A 69 4.018 0.492 -4.186 1.00 0.00 O ATOM 1101 CB LEU A 69 2.944 -2.081 -3.206 1.00 0.00 C ATOM 1102 CG LEU A 69 2.452 -1.547 -1.859 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.063 -2.084 -1.551 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.428 -1.914 -0.752 1.00 0.00 C ATOM 0 H LEU A 69 4.003 -1.940 -5.680 1.00 0.00 H new ATOM 0 HA LEU A 69 1.359 -1.373 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.634 -3.121 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.034 -2.072 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 69 2.394 -0.460 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.727 -1.695 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.370 -1.770 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.095 -3.173 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.062 -1.526 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.518 -2.999 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.404 -1.481 -0.969 1.00 0.00 H new ATOM 1116 N VAL A 70 1.841 1.040 -4.336 1.00 0.00 N ATOM 1117 CA VAL A 70 2.083 2.473 -4.229 1.00 0.00 C ATOM 1118 C VAL A 70 1.476 3.040 -2.952 1.00 0.00 C ATOM 1119 O VAL A 70 0.394 2.630 -2.530 1.00 0.00 O ATOM 1120 CB VAL A 70 1.510 3.233 -5.438 1.00 0.00 C ATOM 1121 CG1 VAL A 70 2.502 3.228 -6.592 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.180 2.633 -5.865 1.00 0.00 C ATOM 0 H VAL A 70 0.859 0.784 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 70 3.164 2.608 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 70 1.337 4.268 -5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.079 3.770 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.428 3.710 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.711 2.200 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.209 3.184 -6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.324 1.588 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.529 2.696 -5.040 1.00 0.00 H new ATOM 1132 N LEU A 71 2.180 3.988 -2.341 1.00 0.00 N ATOM 1133 CA LEU A 71 1.713 4.616 -1.112 1.00 0.00 C ATOM 1134 C LEU A 71 0.761 5.768 -1.418 1.00 0.00 C ATOM 1135 O LEU A 71 1.094 6.678 -2.177 1.00 0.00 O ATOM 1136 CB LEU A 71 2.901 5.125 -0.293 1.00 0.00 C ATOM 1137 CG LEU A 71 2.582 5.479 1.160 1.00 0.00 C ATOM 1138 CD1 LEU A 71 1.727 4.394 1.797 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.864 5.685 1.952 1.00 0.00 C ATOM 0 H LEU A 71 3.077 4.338 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 71 1.174 3.867 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.682 4.364 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.310 6.008 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 71 2.018 6.412 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.509 4.662 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.793 4.295 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.265 3.446 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.618 5.936 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.455 4.769 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.439 6.497 1.508 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.427 5.721 -0.823 1.00 0.00 N ATOM 1152 CA ARG A 72 -1.428 6.761 -1.034 1.00 0.00 C ATOM 1153 C ARG A 72 -1.046 8.043 -0.302 1.00 0.00 C ATOM 1154 O ARG A 72 -0.810 8.034 0.907 1.00 0.00 O ATOM 1155 CB ARG A 72 -2.800 6.280 -0.558 1.00 0.00 C ATOM 1156 CG ARG A 72 -3.959 7.060 -1.158 1.00 0.00 C ATOM 1157 CD ARG A 72 -4.748 7.796 -0.089 1.00 0.00 C ATOM 1158 NE ARG A 72 -5.758 8.679 -0.664 1.00 0.00 N ATOM 1159 CZ ARG A 72 -6.446 9.569 0.043 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -6.237 9.689 1.346 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -7.347 10.338 -0.553 1.00 0.00 N ATOM 0 H ARG A 72 -0.720 4.975 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.473 6.974 -2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.914 5.225 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.846 6.355 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.579 7.775 -1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.619 6.378 -1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.231 7.072 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.065 8.380 0.528 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.946 8.609 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.547 9.097 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.766 10.373 1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.513 10.247 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.875 11.021 -0.009 1.00 0.00 H new ATOM 1175 N LEU A 73 -0.986 9.146 -1.041 1.00 0.00 N ATOM 1176 CA LEU A 73 -0.633 10.437 -0.462 1.00 0.00 C ATOM 1177 C LEU A 73 -1.443 10.705 0.802 1.00 0.00 C ATOM 1178 O LEU A 73 -2.315 9.917 1.172 1.00 0.00 O ATOM 1179 CB LEU A 73 -0.863 11.557 -1.479 1.00 0.00 C ATOM 1180 CG LEU A 73 -2.205 11.501 -2.214 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -2.084 10.666 -3.479 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -3.288 10.944 -1.304 1.00 0.00 C ATOM 0 H LEU A 73 -1.177 9.172 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 73 0.424 10.411 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.788 12.515 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.061 11.527 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.486 12.515 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.047 10.637 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.338 11.110 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.781 9.652 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.235 10.911 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.015 9.937 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.391 11.584 -0.427 1.00 0.00 H new ATOM 1194 N ARG A 74 -1.150 11.821 1.461 1.00 0.00 N ATOM 1195 CA ARG A 74 -1.851 12.194 2.684 1.00 0.00 C ATOM 1196 C ARG A 74 -3.357 12.263 2.451 1.00 0.00 C ATOM 1197 O ARG A 74 -4.080 11.300 2.707 1.00 0.00 O ATOM 1198 CB ARG A 74 -1.342 13.541 3.198 1.00 0.00 C ATOM 1199 CG ARG A 74 -0.020 13.447 3.943 1.00 0.00 C ATOM 1200 CD ARG A 74 0.505 14.822 4.321 1.00 0.00 C ATOM 1201 NE ARG A 74 -0.082 15.878 3.501 1.00 0.00 N ATOM 1202 CZ ARG A 74 -1.262 16.434 3.750 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -1.979 16.035 4.793 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -1.728 17.390 2.957 1.00 0.00 N ATOM 0 H ARG A 74 -0.431 12.483 1.168 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.653 11.428 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.227 14.222 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.092 13.975 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.150 12.846 4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.714 12.935 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.288 15.016 5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.589 14.839 4.211 1.00 0.00 H new ATOM 0 HE ARG A 74 0.444 16.207 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.624 15.300 5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.885 16.463 4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.180 17.699 2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.635 17.816 3.150 1.00 0.00 H new ATOM 1218 N GLY A 75 -3.823 13.408 1.964 1.00 0.00 N ATOM 1219 CA GLY A 75 -5.240 13.583 1.704 1.00 0.00 C ATOM 1220 C GLY A 75 -6.108 13.017 2.810 1.00 0.00 C ATOM 1221 O GLY A 75 -6.649 11.918 2.683 1.00 0.00 O ATOM 0 H GLY A 75 -3.244 14.219 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.456 14.645 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.496 13.098 0.762 1.00 0.00 H new ATOM 1225 N GLY A 76 -6.243 13.769 3.897 1.00 0.00 N ATOM 1226 CA GLY A 76 -7.054 13.319 5.014 1.00 0.00 C ATOM 1227 C GLY A 76 -6.493 12.078 5.677 1.00 0.00 C ATOM 1228 O GLY A 76 -5.251 11.951 5.746 1.00 0.00 O ATOM 1229 OXT GLY A 76 -7.293 11.231 6.128 1.00 0.00 O ATOM 0 H GLY A 76 -5.806 14.682 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.127 14.119 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.066 13.114 4.665 1.00 0.00 H new TER 1233 GLY A 76