USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 512 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 62 ASN : amide:sc= -0.0565 X(o=-0.018,f=0.043) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.0381 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.102 USER MOD Single : A 3 MET CE :methyl 162:sc= -0.151 (180deg=-0.744) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 1 K(o=1,f=-0.34) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.319 K(o=-0.32,f=-1.1) USER MOD Single : A 37 SER OG : rot 180:sc= 0.067 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 45 ASN : amide:sc= 0.0543 K(o=0.054,f=-6.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -142:sc= -0.344 (180deg=-1.25!) USER MOD Single : A 48 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 0.232 (180deg=-0.321) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00817 USER MOD Single : A 55 SER OG : rot -97:sc= 1.05 USER MOD Single : A 56 ASN :FLIP amide:sc=-6.03e-05 F(o=-0.56,f=-6e-05) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.307 -14.254 -10.963 1.00 0.00 N ATOM 2 CA GLY A 1 7.030 -13.031 -11.381 1.00 0.00 C ATOM 3 C GLY A 1 8.172 -13.355 -12.315 1.00 0.00 C ATOM 4 O GLY A 1 9.023 -14.191 -11.999 1.00 0.00 O ATOM 0 H1 GLY A 1 5.529 -13.996 -10.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.920 -14.732 -11.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.963 -14.894 -10.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.338 -12.348 -11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.414 -12.515 -10.501 1.00 0.00 H new ATOM 8 N SER A 2 8.190 -12.704 -13.468 1.00 0.00 N ATOM 9 CA SER A 2 9.216 -12.947 -14.467 1.00 0.00 C ATOM 10 C SER A 2 10.591 -12.536 -13.955 1.00 0.00 C ATOM 11 O SER A 2 10.842 -11.352 -13.710 1.00 0.00 O ATOM 12 CB SER A 2 8.881 -12.202 -15.759 1.00 0.00 C ATOM 13 OG SER A 2 8.509 -10.857 -15.497 1.00 0.00 O ATOM 0 H SER A 2 7.502 -12.000 -13.735 1.00 0.00 H new ATOM 0 HA SER A 2 9.243 -14.017 -14.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.743 -12.220 -16.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.068 -12.712 -16.275 1.00 0.00 H new ATOM 0 HG SER A 2 9.107 -10.479 -14.819 1.00 0.00 H new ATOM 19 N MET A 3 11.458 -13.533 -13.768 1.00 0.00 N ATOM 20 CA MET A 3 12.850 -13.326 -13.363 1.00 0.00 C ATOM 21 C MET A 3 12.978 -12.851 -11.910 1.00 0.00 C ATOM 22 O MET A 3 13.587 -13.531 -11.085 1.00 0.00 O ATOM 23 CB MET A 3 13.546 -12.345 -14.317 1.00 0.00 C ATOM 24 CG MET A 3 14.987 -12.039 -13.940 1.00 0.00 C ATOM 25 SD MET A 3 15.813 -10.993 -15.152 1.00 0.00 S ATOM 26 CE MET A 3 14.727 -9.568 -15.174 1.00 0.00 C ATOM 0 H MET A 3 11.212 -14.515 -13.894 1.00 0.00 H new ATOM 0 HA MET A 3 13.346 -14.295 -13.422 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.524 -12.757 -15.326 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.981 -11.413 -14.341 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.008 -11.548 -12.967 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.538 -12.974 -13.837 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.250 -8.719 -15.614 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.841 -9.795 -15.766 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.429 -9.322 -14.155 1.00 0.00 H new ATOM 36 N ALA A 4 12.400 -11.700 -11.598 1.00 0.00 N ATOM 37 CA ALA A 4 12.579 -11.078 -10.288 1.00 0.00 C ATOM 38 C ALA A 4 11.338 -11.218 -9.411 1.00 0.00 C ATOM 39 O ALA A 4 10.207 -11.232 -9.906 1.00 0.00 O ATOM 40 CB ALA A 4 12.947 -9.609 -10.454 1.00 0.00 C ATOM 0 H ALA A 4 11.801 -11.174 -12.234 1.00 0.00 H new ATOM 0 HA ALA A 4 13.392 -11.601 -9.784 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.078 -9.154 -9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 4 13.876 -9.528 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 4 12.150 -9.093 -10.990 1.00 0.00 H new ATOM 46 N GLU A 5 11.573 -11.331 -8.106 1.00 0.00 N ATOM 47 CA GLU A 5 10.508 -11.384 -7.115 1.00 0.00 C ATOM 48 C GLU A 5 9.898 -9.998 -6.923 1.00 0.00 C ATOM 49 O GLU A 5 10.587 -8.986 -7.053 1.00 0.00 O ATOM 50 CB GLU A 5 11.071 -11.892 -5.782 1.00 0.00 C ATOM 51 CG GLU A 5 10.024 -12.129 -4.709 1.00 0.00 C ATOM 52 CD GLU A 5 10.643 -12.376 -3.350 1.00 0.00 C ATOM 53 OE1 GLU A 5 11.194 -13.475 -3.130 1.00 0.00 O ATOM 54 OE2 GLU A 5 10.611 -11.459 -2.502 1.00 0.00 O ATOM 0 H GLU A 5 12.510 -11.388 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 5 9.732 -12.065 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.609 -12.823 -5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.798 -11.170 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.362 -11.265 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.409 -12.985 -4.987 1.00 0.00 H new ATOM 61 N GLU A 6 8.610 -9.957 -6.621 1.00 0.00 N ATOM 62 CA GLU A 6 7.914 -8.699 -6.377 1.00 0.00 C ATOM 63 C GLU A 6 8.287 -8.146 -5.000 1.00 0.00 C ATOM 64 O GLU A 6 8.460 -8.909 -4.046 1.00 0.00 O ATOM 65 CB GLU A 6 6.406 -8.921 -6.466 1.00 0.00 C ATOM 66 CG GLU A 6 5.970 -9.547 -7.779 1.00 0.00 C ATOM 67 CD GLU A 6 4.535 -10.032 -7.749 1.00 0.00 C ATOM 68 OE1 GLU A 6 4.262 -11.039 -7.069 1.00 0.00 O ATOM 69 OE2 GLU A 6 3.677 -9.414 -8.407 1.00 0.00 O ATOM 0 H GLU A 6 8.020 -10.785 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 6 8.213 -7.974 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.090 -9.562 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.897 -7.966 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.086 -8.817 -8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.627 -10.384 -8.013 1.00 0.00 H new ATOM 76 N VAL A 7 8.420 -6.829 -4.898 1.00 0.00 N ATOM 77 CA VAL A 7 8.820 -6.189 -3.645 1.00 0.00 C ATOM 78 C VAL A 7 7.606 -5.834 -2.790 1.00 0.00 C ATOM 79 O VAL A 7 6.531 -5.524 -3.312 1.00 0.00 O ATOM 80 CB VAL A 7 9.664 -4.918 -3.891 1.00 0.00 C ATOM 81 CG1 VAL A 7 10.974 -5.268 -4.577 1.00 0.00 C ATOM 82 CG2 VAL A 7 8.889 -3.901 -4.716 1.00 0.00 C ATOM 0 H VAL A 7 8.257 -6.180 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 7 9.433 -6.914 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 7 9.889 -4.472 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.553 -4.359 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.543 -5.952 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.767 -5.744 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.505 -3.016 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.626 -4.338 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.979 -3.619 -4.185 1.00 0.00 H new ATOM 92 N VAL A 8 7.782 -5.882 -1.477 1.00 0.00 N ATOM 93 CA VAL A 8 6.695 -5.612 -0.550 1.00 0.00 C ATOM 94 C VAL A 8 7.056 -4.497 0.430 1.00 0.00 C ATOM 95 O VAL A 8 8.196 -4.378 0.882 1.00 0.00 O ATOM 96 CB VAL A 8 6.279 -6.891 0.220 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.382 -6.567 1.408 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.562 -7.847 -0.715 1.00 0.00 C ATOM 0 H VAL A 8 8.671 -6.106 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 8 5.845 -5.278 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 8 7.187 -7.358 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.112 -7.489 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.913 -5.910 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.478 -6.069 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.273 -8.744 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.671 -7.364 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.226 -8.121 -1.534 1.00 0.00 H new ATOM 108 N VAL A 9 6.061 -3.678 0.720 1.00 0.00 N ATOM 109 CA VAL A 9 6.171 -2.575 1.657 1.00 0.00 C ATOM 110 C VAL A 9 5.186 -2.798 2.802 1.00 0.00 C ATOM 111 O VAL A 9 4.479 -3.803 2.818 1.00 0.00 O ATOM 112 CB VAL A 9 5.869 -1.246 0.950 1.00 0.00 C ATOM 113 CG1 VAL A 9 6.937 -0.975 -0.094 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.494 -1.295 0.306 1.00 0.00 C ATOM 0 H VAL A 9 5.135 -3.763 0.302 1.00 0.00 H new ATOM 0 HA VAL A 9 7.186 -2.530 2.051 1.00 0.00 H new ATOM 0 HB VAL A 9 5.874 -0.438 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.723 -0.032 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.912 -0.916 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.944 -1.783 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.292 -0.347 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.463 -2.103 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.739 -1.471 1.073 1.00 0.00 H new ATOM 124 N VAL A 10 5.118 -1.880 3.746 1.00 0.00 N ATOM 125 CA VAL A 10 4.226 -2.056 4.882 1.00 0.00 C ATOM 126 C VAL A 10 3.563 -0.731 5.270 1.00 0.00 C ATOM 127 O VAL A 10 4.184 0.329 5.222 1.00 0.00 O ATOM 128 CB VAL A 10 4.981 -2.655 6.094 1.00 0.00 C ATOM 129 CG1 VAL A 10 6.086 -1.727 6.568 1.00 0.00 C ATOM 130 CG2 VAL A 10 4.029 -2.966 7.237 1.00 0.00 C ATOM 0 H VAL A 10 5.660 -1.016 3.753 1.00 0.00 H new ATOM 0 HA VAL A 10 3.446 -2.756 4.584 1.00 0.00 H new ATOM 0 HB VAL A 10 5.436 -3.589 5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.597 -2.175 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.799 -1.568 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.655 -0.771 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.589 -3.385 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.532 -2.050 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.282 -3.686 6.903 1.00 0.00 H new ATOM 140 N ALA A 11 2.296 -0.805 5.633 1.00 0.00 N ATOM 141 CA ALA A 11 1.523 0.366 5.998 1.00 0.00 C ATOM 142 C ALA A 11 1.770 0.770 7.446 1.00 0.00 C ATOM 143 O ALA A 11 1.964 -0.075 8.322 1.00 0.00 O ATOM 144 CB ALA A 11 0.050 0.101 5.769 1.00 0.00 C ATOM 0 H ALA A 11 1.774 -1.680 5.683 1.00 0.00 H new ATOM 0 HA ALA A 11 1.843 1.194 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.526 0.984 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.119 -0.128 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.267 -0.744 6.380 1.00 0.00 H new ATOM 150 N LYS A 12 1.739 2.069 7.687 1.00 0.00 N ATOM 151 CA LYS A 12 1.979 2.614 9.010 1.00 0.00 C ATOM 152 C LYS A 12 0.675 2.646 9.794 1.00 0.00 C ATOM 153 O LYS A 12 0.590 2.123 10.908 1.00 0.00 O ATOM 154 CB LYS A 12 2.565 4.012 8.877 1.00 0.00 C ATOM 155 CG LYS A 12 3.243 4.538 10.128 1.00 0.00 C ATOM 156 CD LYS A 12 4.001 5.812 9.805 1.00 0.00 C ATOM 157 CE LYS A 12 4.950 6.221 10.917 1.00 0.00 C ATOM 158 NZ LYS A 12 5.873 7.298 10.470 1.00 0.00 N ATOM 0 H LYS A 12 1.547 2.773 6.974 1.00 0.00 H new ATOM 0 HA LYS A 12 2.688 1.986 9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.288 4.012 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.768 4.700 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.500 4.732 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.927 3.788 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.566 5.671 8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.290 6.618 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.378 6.564 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.528 5.356 11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.509 7.556 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.435 6.961 9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.321 8.131 10.183 1.00 0.00 H new ATOM 172 N PHE A 13 -0.343 3.240 9.188 1.00 0.00 N ATOM 173 CA PHE A 13 -1.668 3.312 9.783 1.00 0.00 C ATOM 174 C PHE A 13 -2.714 2.915 8.750 1.00 0.00 C ATOM 175 O PHE A 13 -2.415 2.841 7.563 1.00 0.00 O ATOM 176 CB PHE A 13 -1.951 4.721 10.308 1.00 0.00 C ATOM 177 CG PHE A 13 -1.016 5.159 11.397 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.052 4.553 12.643 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.097 6.173 11.175 1.00 0.00 C ATOM 180 CE1 PHE A 13 -0.192 4.949 13.646 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.766 6.573 12.175 1.00 0.00 C ATOM 182 CZ PHE A 13 0.718 5.961 13.413 1.00 0.00 C ATOM 0 H PHE A 13 -0.273 3.684 8.272 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.712 2.621 10.625 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.886 5.427 9.480 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.974 4.761 10.682 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.762 3.761 12.831 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.056 6.655 10.209 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.230 4.468 14.612 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.478 7.364 11.990 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.391 6.274 14.197 1.00 0.00 H new ATOM 192 N ASP A 14 -3.931 2.651 9.204 1.00 0.00 N ATOM 193 CA ASP A 14 -5.000 2.225 8.326 1.00 0.00 C ATOM 194 C ASP A 14 -5.563 3.376 7.510 1.00 0.00 C ATOM 195 O ASP A 14 -5.750 4.487 8.011 1.00 0.00 O ATOM 196 CB ASP A 14 -6.113 1.564 9.129 1.00 0.00 C ATOM 197 CG ASP A 14 -6.374 2.232 10.463 1.00 0.00 C ATOM 198 OD1 ASP A 14 -5.558 2.058 11.392 1.00 0.00 O ATOM 199 OD2 ASP A 14 -7.405 2.918 10.594 1.00 0.00 O ATOM 0 H ASP A 14 -4.199 2.727 10.185 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.576 1.502 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.030 1.575 8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.856 0.519 9.299 1.00 0.00 H new ATOM 204 N TYR A 15 -5.832 3.087 6.248 1.00 0.00 N ATOM 205 CA TYR A 15 -6.355 4.076 5.315 1.00 0.00 C ATOM 206 C TYR A 15 -7.467 3.478 4.461 1.00 0.00 C ATOM 207 O TYR A 15 -7.230 2.585 3.645 1.00 0.00 O ATOM 208 CB TYR A 15 -5.223 4.627 4.431 1.00 0.00 C ATOM 209 CG TYR A 15 -5.690 5.273 3.137 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.512 6.391 3.144 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.311 4.746 1.908 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.945 6.966 1.962 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.740 5.314 0.724 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.555 6.425 0.755 1.00 0.00 C ATOM 215 OH TYR A 15 -6.987 6.995 -0.422 1.00 0.00 O ATOM 0 H TYR A 15 -5.695 2.162 5.840 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.778 4.902 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.656 5.361 5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.539 3.813 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.819 6.819 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.670 3.877 1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.586 7.835 1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.438 4.889 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.622 6.494 -1.181 1.00 0.00 H new ATOM 225 N VAL A 16 -8.682 3.966 4.659 1.00 0.00 N ATOM 226 CA VAL A 16 -9.819 3.535 3.856 1.00 0.00 C ATOM 227 C VAL A 16 -9.897 4.361 2.580 1.00 0.00 C ATOM 228 O VAL A 16 -9.754 5.583 2.614 1.00 0.00 O ATOM 229 CB VAL A 16 -11.150 3.661 4.626 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.309 3.156 3.783 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.080 2.909 5.944 1.00 0.00 C ATOM 0 H VAL A 16 -8.908 4.662 5.370 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.666 2.483 3.614 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.319 4.716 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.238 3.254 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.376 3.743 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.146 2.108 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.028 3.010 6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.883 1.854 5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.278 3.322 6.556 1.00 0.00 H new ATOM 241 N ALA A 17 -10.131 3.695 1.463 1.00 0.00 N ATOM 242 CA ALA A 17 -10.165 4.354 0.174 1.00 0.00 C ATOM 243 C ALA A 17 -11.601 4.475 -0.316 1.00 0.00 C ATOM 244 O ALA A 17 -12.485 3.755 0.158 1.00 0.00 O ATOM 245 CB ALA A 17 -9.322 3.577 -0.822 1.00 0.00 C ATOM 0 H ALA A 17 -10.301 2.690 1.426 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.752 5.358 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.350 4.076 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.292 3.530 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.718 2.566 -0.923 1.00 0.00 H new ATOM 251 N GLN A 18 -11.837 5.384 -1.251 1.00 0.00 N ATOM 252 CA GLN A 18 -13.179 5.585 -1.785 1.00 0.00 C ATOM 253 C GLN A 18 -13.629 4.366 -2.591 1.00 0.00 C ATOM 254 O GLN A 18 -14.569 3.669 -2.210 1.00 0.00 O ATOM 255 CB GLN A 18 -13.233 6.841 -2.660 1.00 0.00 C ATOM 256 CG GLN A 18 -12.875 8.118 -1.922 1.00 0.00 C ATOM 257 CD GLN A 18 -12.870 9.339 -2.824 1.00 0.00 C ATOM 258 OE1 GLN A 18 -13.732 9.340 -3.831 1.00 0.00 O flip ATOM 259 NE2 GLN A 18 -12.107 10.280 -2.611 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.123 5.991 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.858 5.717 -0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.552 6.716 -3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.236 6.941 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.586 8.275 -1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.891 8.005 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.457 10.242 -1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.124 11.098 -3.220 1.00 0.00 H new ATOM 268 N GLN A 19 -12.949 4.117 -3.701 1.00 0.00 N ATOM 269 CA GLN A 19 -13.224 2.948 -4.531 1.00 0.00 C ATOM 270 C GLN A 19 -11.956 2.122 -4.662 1.00 0.00 C ATOM 271 O GLN A 19 -10.874 2.598 -4.324 1.00 0.00 O ATOM 272 CB GLN A 19 -13.718 3.358 -5.925 1.00 0.00 C ATOM 273 CG GLN A 19 -14.997 4.177 -5.921 1.00 0.00 C ATOM 274 CD GLN A 19 -15.530 4.413 -7.319 1.00 0.00 C ATOM 275 OE1 GLN A 19 -16.324 3.625 -7.831 1.00 0.00 O ATOM 276 NE2 GLN A 19 -15.088 5.487 -7.953 1.00 0.00 N ATOM 0 H GLN A 19 -12.198 4.712 -4.051 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.009 2.361 -4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.935 3.932 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.879 2.459 -6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.753 3.663 -5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.811 5.136 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.430 6.116 -7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.406 5.686 -8.902 1.00 0.00 H new ATOM 285 N GLU A 20 -12.077 0.893 -5.154 1.00 0.00 N ATOM 286 CA GLU A 20 -10.908 0.038 -5.343 1.00 0.00 C ATOM 287 C GLU A 20 -10.055 0.496 -6.527 1.00 0.00 C ATOM 288 O GLU A 20 -9.043 -0.126 -6.851 1.00 0.00 O ATOM 289 CB GLU A 20 -11.278 -1.434 -5.475 1.00 0.00 C ATOM 290 CG GLU A 20 -12.250 -1.728 -6.581 1.00 0.00 C ATOM 291 CD GLU A 20 -13.686 -1.595 -6.138 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.243 -2.589 -5.627 1.00 0.00 O ATOM 293 OE2 GLU A 20 -14.261 -0.500 -6.288 1.00 0.00 O ATOM 0 H GLU A 20 -12.964 0.469 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.308 0.139 -4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.369 -2.012 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.704 -1.776 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.065 -1.048 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.079 -2.739 -6.951 1.00 0.00 H new ATOM 300 N GLN A 21 -10.500 1.550 -7.211 1.00 0.00 N ATOM 301 CA GLN A 21 -9.652 2.245 -8.176 1.00 0.00 C ATOM 302 C GLN A 21 -8.474 2.866 -7.434 1.00 0.00 C ATOM 303 O GLN A 21 -7.403 3.101 -7.994 1.00 0.00 O ATOM 304 CB GLN A 21 -10.435 3.343 -8.900 1.00 0.00 C ATOM 305 CG GLN A 21 -10.741 4.548 -8.023 1.00 0.00 C ATOM 306 CD GLN A 21 -11.360 5.691 -8.795 1.00 0.00 C ATOM 307 OE1 GLN A 21 -12.104 5.482 -9.752 1.00 0.00 O ATOM 308 NE2 GLN A 21 -11.029 6.910 -8.404 1.00 0.00 N ATOM 0 H GLN A 21 -11.438 1.939 -7.115 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.300 1.530 -8.919 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.866 3.671 -9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.371 2.926 -9.271 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.417 4.247 -7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.821 4.891 -7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.409 7.038 -7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.394 7.722 -8.902 1.00 0.00 H new ATOM 317 N GLU A 22 -8.718 3.147 -6.163 1.00 0.00 N ATOM 318 CA GLU A 22 -7.703 3.625 -5.251 1.00 0.00 C ATOM 319 C GLU A 22 -7.101 2.408 -4.563 1.00 0.00 C ATOM 320 O GLU A 22 -7.512 1.285 -4.839 1.00 0.00 O ATOM 321 CB GLU A 22 -8.333 4.543 -4.201 1.00 0.00 C ATOM 322 CG GLU A 22 -9.264 5.609 -4.759 1.00 0.00 C ATOM 323 CD GLU A 22 -8.549 6.685 -5.544 1.00 0.00 C ATOM 324 OE1 GLU A 22 -7.769 7.445 -4.941 1.00 0.00 O ATOM 325 OE2 GLU A 22 -8.786 6.786 -6.763 1.00 0.00 O ATOM 0 H GLU A 22 -9.639 3.047 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.941 4.188 -5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.889 3.931 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.536 5.034 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.004 5.133 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.808 6.072 -3.936 1.00 0.00 H new ATOM 332 N LEU A 23 -6.156 2.599 -3.667 1.00 0.00 N ATOM 333 CA LEU A 23 -5.627 1.465 -2.930 1.00 0.00 C ATOM 334 C LEU A 23 -6.063 1.567 -1.468 1.00 0.00 C ATOM 335 O LEU A 23 -5.866 2.601 -0.831 1.00 0.00 O ATOM 336 CB LEU A 23 -4.099 1.419 -3.029 1.00 0.00 C ATOM 337 CG LEU A 23 -3.479 0.018 -2.963 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.505 -0.531 -1.554 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.218 -0.924 -3.887 1.00 0.00 C ATOM 0 H LEU A 23 -5.745 3.503 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.019 0.544 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.798 1.888 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.681 2.022 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.439 0.101 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.058 -1.525 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.939 0.129 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.536 -0.593 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.768 -1.915 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.264 -0.982 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.155 -0.554 -4.910 1.00 0.00 H new ATOM 351 N ASP A 24 -6.654 0.501 -0.942 1.00 0.00 N ATOM 352 CA ASP A 24 -7.065 0.468 0.456 1.00 0.00 C ATOM 353 C ASP A 24 -6.028 -0.280 1.279 1.00 0.00 C ATOM 354 O ASP A 24 -5.552 -1.345 0.877 1.00 0.00 O ATOM 355 CB ASP A 24 -8.449 -0.181 0.612 1.00 0.00 C ATOM 356 CG ASP A 24 -8.482 -1.644 0.205 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.578 -1.926 -1.011 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.443 -2.517 1.099 1.00 0.00 O ATOM 0 H ASP A 24 -6.859 -0.352 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.138 1.493 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.767 -0.094 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.170 0.372 0.010 1.00 0.00 H new ATOM 363 N ILE A 25 -5.652 0.293 2.416 1.00 0.00 N ATOM 364 CA ILE A 25 -4.609 -0.291 3.244 1.00 0.00 C ATOM 365 C ILE A 25 -5.003 -0.277 4.721 1.00 0.00 C ATOM 366 O ILE A 25 -5.863 0.495 5.145 1.00 0.00 O ATOM 367 CB ILE A 25 -3.250 0.434 3.067 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.300 1.873 3.579 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.822 0.425 1.609 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.195 2.175 4.551 1.00 0.00 C ATOM 0 H ILE A 25 -6.052 1.157 2.783 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.493 -1.323 2.912 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.518 -0.112 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.234 2.559 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.262 2.051 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.866 0.939 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.719 -0.605 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.574 0.934 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.276 3.210 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.275 1.510 5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.231 2.025 4.064 1.00 0.00 H new ATOM 382 N LYS A 26 -4.355 -1.127 5.503 1.00 0.00 N ATOM 383 CA LYS A 26 -4.654 -1.248 6.924 1.00 0.00 C ATOM 384 C LYS A 26 -3.380 -1.027 7.733 1.00 0.00 C ATOM 385 O LYS A 26 -2.282 -1.168 7.204 1.00 0.00 O ATOM 386 CB LYS A 26 -5.236 -2.639 7.214 1.00 0.00 C ATOM 387 CG LYS A 26 -5.790 -2.816 8.620 1.00 0.00 C ATOM 388 CD LYS A 26 -7.055 -2.001 8.834 1.00 0.00 C ATOM 389 CE LYS A 26 -7.625 -2.228 10.223 1.00 0.00 C ATOM 390 NZ LYS A 26 -8.892 -1.477 10.452 1.00 0.00 N ATOM 0 H LYS A 26 -3.614 -1.747 5.176 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.389 -0.495 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.031 -2.842 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.459 -3.385 7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.002 -3.870 8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.037 -2.516 9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.836 -0.942 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.798 -2.273 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.807 -3.293 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.888 -1.926 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.239 -1.666 11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.716 -0.458 10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.606 -1.782 9.760 1.00 0.00 H new ATOM 404 N LYS A 27 -3.520 -0.664 9.002 1.00 0.00 N ATOM 405 CA LYS A 27 -2.369 -0.487 9.877 1.00 0.00 C ATOM 406 C LYS A 27 -1.540 -1.767 9.948 1.00 0.00 C ATOM 407 O LYS A 27 -2.068 -2.840 10.257 1.00 0.00 O ATOM 408 CB LYS A 27 -2.827 -0.072 11.280 1.00 0.00 C ATOM 409 CG LYS A 27 -1.691 0.025 12.290 1.00 0.00 C ATOM 410 CD LYS A 27 -2.175 0.506 13.650 1.00 0.00 C ATOM 411 CE LYS A 27 -1.031 0.575 14.650 1.00 0.00 C ATOM 412 NZ LYS A 27 -1.457 1.146 15.952 1.00 0.00 N ATOM 0 H LYS A 27 -4.420 -0.486 9.448 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.743 0.303 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.330 0.893 11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.562 -0.792 11.641 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.218 -0.951 12.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.929 0.708 11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.632 1.490 13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.947 -0.167 14.023 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.629 -0.426 14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.225 1.181 14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.645 1.173 16.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.817 2.111 15.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.208 0.554 16.362 1.00 0.00 H new ATOM 426 N ASN A 28 -0.253 -1.636 9.634 1.00 0.00 N ATOM 427 CA ASN A 28 0.694 -2.755 9.675 1.00 0.00 C ATOM 428 C ASN A 28 0.375 -3.777 8.577 1.00 0.00 C ATOM 429 O ASN A 28 0.709 -4.958 8.681 1.00 0.00 O ATOM 430 CB ASN A 28 0.681 -3.418 11.062 1.00 0.00 C ATOM 431 CG ASN A 28 1.822 -4.404 11.254 1.00 0.00 C ATOM 432 OD1 ASN A 28 2.912 -4.222 10.713 1.00 0.00 O ATOM 433 ND2 ASN A 28 1.581 -5.454 12.024 1.00 0.00 N ATOM 0 H ASN A 28 0.166 -0.752 9.344 1.00 0.00 H new ATOM 0 HA ASN A 28 1.696 -2.366 9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.741 -2.646 11.829 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.268 -3.935 11.204 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.312 -6.146 12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.664 -5.570 12.455 1.00 0.00 H new ATOM 440 N GLU A 29 -0.262 -3.315 7.511 1.00 0.00 N ATOM 441 CA GLU A 29 -0.576 -4.182 6.388 1.00 0.00 C ATOM 442 C GLU A 29 0.548 -4.138 5.364 1.00 0.00 C ATOM 443 O GLU A 29 1.165 -3.101 5.162 1.00 0.00 O ATOM 444 CB GLU A 29 -1.892 -3.766 5.735 1.00 0.00 C ATOM 445 CG GLU A 29 -2.422 -4.789 4.751 1.00 0.00 C ATOM 446 CD GLU A 29 -2.605 -6.145 5.396 1.00 0.00 C ATOM 447 OE1 GLU A 29 -1.639 -6.932 5.410 1.00 0.00 O ATOM 448 OE2 GLU A 29 -3.707 -6.420 5.911 1.00 0.00 O ATOM 0 H GLU A 29 -0.570 -2.349 7.401 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.682 -5.201 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.638 -3.599 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.750 -2.816 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.375 -4.446 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.733 -4.876 3.911 1.00 0.00 H new ATOM 455 N ARG A 30 0.811 -5.260 4.725 1.00 0.00 N ATOM 456 CA ARG A 30 1.874 -5.342 3.738 1.00 0.00 C ATOM 457 C ARG A 30 1.320 -5.098 2.338 1.00 0.00 C ATOM 458 O ARG A 30 0.361 -5.744 1.917 1.00 0.00 O ATOM 459 CB ARG A 30 2.536 -6.713 3.829 1.00 0.00 C ATOM 460 CG ARG A 30 1.572 -7.853 3.571 1.00 0.00 C ATOM 461 CD ARG A 30 1.919 -9.073 4.408 1.00 0.00 C ATOM 462 NE ARG A 30 0.981 -10.176 4.199 1.00 0.00 N ATOM 463 CZ ARG A 30 -0.106 -10.382 4.945 1.00 0.00 C ATOM 464 NH1 ARG A 30 -0.450 -9.515 5.886 1.00 0.00 N ATOM 465 NH2 ARG A 30 -0.859 -11.454 4.742 1.00 0.00 N ATOM 0 H ARG A 30 0.302 -6.132 4.871 1.00 0.00 H new ATOM 0 HA ARG A 30 2.619 -4.572 3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.353 -6.765 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.976 -6.833 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.556 -7.531 3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.593 -8.117 2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.927 -9.405 4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.923 -8.798 5.463 1.00 0.00 H new ATOM 0 HE ARG A 30 1.169 -10.827 3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.118 -8.683 6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.282 -9.680 6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.608 -12.123 4.014 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.689 -11.610 5.313 1.00 0.00 H new ATOM 479 N LEU A 31 1.908 -4.149 1.625 1.00 0.00 N ATOM 480 CA LEU A 31 1.460 -3.832 0.276 1.00 0.00 C ATOM 481 C LEU A 31 2.588 -4.085 -0.721 1.00 0.00 C ATOM 482 O LEU A 31 3.728 -4.304 -0.332 1.00 0.00 O ATOM 483 CB LEU A 31 0.979 -2.370 0.159 1.00 0.00 C ATOM 484 CG LEU A 31 -0.198 -1.956 1.055 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.205 -3.087 1.201 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.292 -1.476 2.414 1.00 0.00 C ATOM 0 H LEU A 31 2.693 -3.587 1.955 1.00 0.00 H new ATOM 0 HA LEU A 31 0.614 -4.481 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.822 -1.716 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.698 -2.186 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.707 -1.123 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.026 -2.763 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.595 -3.356 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.717 -3.953 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.562 -1.189 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.841 -2.278 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.949 -0.616 2.281 1.00 0.00 H new ATOM 498 N TRP A 32 2.263 -4.065 -1.999 1.00 0.00 N ATOM 499 CA TRP A 32 3.265 -4.194 -3.054 1.00 0.00 C ATOM 500 C TRP A 32 3.518 -2.837 -3.688 1.00 0.00 C ATOM 501 O TRP A 32 2.598 -2.207 -4.201 1.00 0.00 O ATOM 502 CB TRP A 32 2.804 -5.186 -4.130 1.00 0.00 C ATOM 503 CG TRP A 32 2.916 -6.631 -3.734 1.00 0.00 C ATOM 504 CD1 TRP A 32 3.871 -7.515 -4.150 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.045 -7.367 -2.863 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.643 -8.752 -3.600 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.535 -8.686 -2.802 1.00 0.00 C ATOM 508 CE3 TRP A 32 0.904 -7.042 -2.125 1.00 0.00 C ATOM 509 CZ2 TRP A 32 1.921 -9.676 -2.040 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.297 -8.026 -1.370 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.806 -9.328 -1.330 1.00 0.00 C ATOM 0 H TRP A 32 1.307 -3.960 -2.339 1.00 0.00 H new ATOM 0 HA TRP A 32 4.186 -4.570 -2.609 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.766 -4.971 -4.383 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.393 -5.023 -5.033 1.00 0.00 H new ATOM 0 HD1 TRP A 32 4.687 -7.275 -4.815 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.209 -9.585 -3.761 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.504 -6.039 -2.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.311 -10.683 -2.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.588 -7.786 -0.799 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.309 -10.073 -0.727 1.00 0.00 H new ATOM 522 N LEU A 33 4.760 -2.387 -3.656 1.00 0.00 N ATOM 523 CA LEU A 33 5.088 -1.056 -4.146 1.00 0.00 C ATOM 524 C LEU A 33 5.578 -1.102 -5.587 1.00 0.00 C ATOM 525 O LEU A 33 6.454 -1.894 -5.932 1.00 0.00 O ATOM 526 CB LEU A 33 6.145 -0.409 -3.254 1.00 0.00 C ATOM 527 CG LEU A 33 6.533 1.023 -3.625 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.308 1.915 -3.633 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.563 1.558 -2.649 1.00 0.00 C ATOM 0 H LEU A 33 5.554 -2.918 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 33 4.179 -0.456 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.781 -0.414 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.042 -1.027 -3.277 1.00 0.00 H new ATOM 0 HG LEU A 33 6.967 1.017 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.600 2.931 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.590 1.541 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.852 1.916 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.830 2.578 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.147 1.552 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.453 0.929 -2.678 1.00 0.00 H new ATOM 541 N LEU A 34 4.994 -0.255 -6.423 1.00 0.00 N ATOM 542 CA LEU A 34 5.399 -0.160 -7.817 1.00 0.00 C ATOM 543 C LEU A 34 6.153 1.148 -8.053 1.00 0.00 C ATOM 544 O LEU A 34 7.226 1.153 -8.661 1.00 0.00 O ATOM 545 CB LEU A 34 4.184 -0.239 -8.764 1.00 0.00 C ATOM 546 CG LEU A 34 3.273 -1.477 -8.626 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.084 -2.755 -8.466 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.298 -1.312 -7.472 1.00 0.00 C ATOM 0 H LEU A 34 4.238 0.376 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 34 6.053 -1.005 -8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.574 0.651 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.550 -0.199 -9.790 1.00 0.00 H new ATOM 0 HG LEU A 34 2.699 -1.562 -9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.408 -3.605 -8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.721 -2.893 -9.339 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.704 -2.683 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.669 -2.199 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.853 -1.182 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.672 -0.437 -7.647 1.00 0.00 H new ATOM 560 N ASP A 35 5.591 2.246 -7.541 1.00 0.00 N ATOM 561 CA ASP A 35 6.169 3.582 -7.719 1.00 0.00 C ATOM 562 C ASP A 35 6.014 4.410 -6.449 1.00 0.00 C ATOM 563 O ASP A 35 4.934 4.449 -5.860 1.00 0.00 O ATOM 564 CB ASP A 35 5.487 4.319 -8.877 1.00 0.00 C ATOM 565 CG ASP A 35 5.956 3.849 -10.238 1.00 0.00 C ATOM 566 OD1 ASP A 35 7.042 4.279 -10.679 1.00 0.00 O ATOM 567 OD2 ASP A 35 5.237 3.056 -10.879 1.00 0.00 O ATOM 0 H ASP A 35 4.729 2.236 -6.995 1.00 0.00 H new ATOM 0 HA ASP A 35 7.228 3.455 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.408 4.180 -8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.678 5.388 -8.782 1.00 0.00 H new ATOM 572 N ASP A 36 7.086 5.075 -6.034 1.00 0.00 N ATOM 573 CA ASP A 36 7.055 5.912 -4.832 1.00 0.00 C ATOM 574 C ASP A 36 7.594 7.310 -5.130 1.00 0.00 C ATOM 575 O ASP A 36 7.951 8.060 -4.222 1.00 0.00 O ATOM 576 CB ASP A 36 7.876 5.272 -3.705 1.00 0.00 C ATOM 577 CG ASP A 36 9.377 5.353 -3.937 1.00 0.00 C ATOM 578 OD1 ASP A 36 9.861 4.822 -4.960 1.00 0.00 O ATOM 579 OD2 ASP A 36 10.078 5.952 -3.095 1.00 0.00 O ATOM 0 H ASP A 36 7.988 5.053 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 36 6.017 5.996 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.633 5.764 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.587 4.226 -3.602 1.00 0.00 H new ATOM 584 N SER A 37 7.603 7.668 -6.403 1.00 0.00 N ATOM 585 CA SER A 37 8.217 8.912 -6.849 1.00 0.00 C ATOM 586 C SER A 37 7.273 10.112 -6.721 1.00 0.00 C ATOM 587 O SER A 37 7.624 11.231 -7.096 1.00 0.00 O ATOM 588 CB SER A 37 8.678 8.754 -8.298 1.00 0.00 C ATOM 589 OG SER A 37 7.687 8.098 -9.072 1.00 0.00 O ATOM 0 H SER A 37 7.190 7.112 -7.152 1.00 0.00 H new ATOM 0 HA SER A 37 9.070 9.114 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.891 9.734 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.607 8.184 -8.329 1.00 0.00 H new ATOM 0 HG SER A 37 8.000 8.008 -9.996 1.00 0.00 H new ATOM 595 N LYS A 38 6.085 9.893 -6.177 1.00 0.00 N ATOM 596 CA LYS A 38 5.106 10.966 -6.038 1.00 0.00 C ATOM 597 C LYS A 38 4.624 11.092 -4.601 1.00 0.00 C ATOM 598 O LYS A 38 5.011 10.303 -3.738 1.00 0.00 O ATOM 599 CB LYS A 38 3.909 10.726 -6.964 1.00 0.00 C ATOM 600 CG LYS A 38 4.201 10.951 -8.442 1.00 0.00 C ATOM 601 CD LYS A 38 4.056 12.416 -8.847 1.00 0.00 C ATOM 602 CE LYS A 38 5.054 13.319 -8.138 1.00 0.00 C ATOM 603 NZ LYS A 38 4.960 14.728 -8.604 1.00 0.00 N ATOM 0 H LYS A 38 5.775 8.987 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 38 5.598 11.897 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.559 9.703 -6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.094 11.385 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.213 10.614 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.523 10.343 -9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.191 12.507 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.044 12.753 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.878 13.280 -7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.064 12.947 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.657 15.309 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.153 14.770 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.004 15.092 -8.418 1.00 0.00 H new ATOM 617 N SER A 39 3.796 12.102 -4.350 1.00 0.00 N ATOM 618 CA SER A 39 3.164 12.283 -3.052 1.00 0.00 C ATOM 619 C SER A 39 2.280 11.080 -2.743 1.00 0.00 C ATOM 620 O SER A 39 2.226 10.591 -1.611 1.00 0.00 O ATOM 621 CB SER A 39 2.329 13.560 -3.071 1.00 0.00 C ATOM 622 OG SER A 39 3.027 14.604 -3.727 1.00 0.00 O ATOM 0 H SER A 39 3.547 12.813 -5.038 1.00 0.00 H new ATOM 0 HA SER A 39 3.927 12.367 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.382 13.374 -3.578 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.091 13.860 -2.051 1.00 0.00 H new ATOM 0 HG SER A 39 2.476 15.414 -3.731 1.00 0.00 H new ATOM 628 N TRP A 40 1.591 10.617 -3.774 1.00 0.00 N ATOM 629 CA TRP A 40 0.838 9.382 -3.709 1.00 0.00 C ATOM 630 C TRP A 40 1.702 8.230 -4.195 1.00 0.00 C ATOM 631 O TRP A 40 2.339 8.328 -5.245 1.00 0.00 O ATOM 632 CB TRP A 40 -0.409 9.470 -4.583 1.00 0.00 C ATOM 633 CG TRP A 40 -1.594 10.098 -3.921 1.00 0.00 C ATOM 634 CD1 TRP A 40 -1.705 10.493 -2.617 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.853 10.385 -4.539 1.00 0.00 C ATOM 636 NE1 TRP A 40 -2.957 11.013 -2.392 1.00 0.00 N ATOM 637 CE2 TRP A 40 -3.679 10.958 -3.557 1.00 0.00 C ATOM 638 CE3 TRP A 40 -3.362 10.217 -5.833 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -4.983 11.358 -3.824 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.656 10.617 -6.096 1.00 0.00 C ATOM 641 CH2 TRP A 40 -5.455 11.184 -5.096 1.00 0.00 C ATOM 0 H TRP A 40 1.540 11.089 -4.677 1.00 0.00 H new ATOM 0 HA TRP A 40 0.539 9.214 -2.674 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.167 10.039 -5.481 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.681 8.465 -4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.925 10.409 -1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.295 11.380 -1.502 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.752 9.782 -6.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.603 11.792 -3.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.059 10.491 -7.090 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -6.463 11.490 -5.333 1.00 0.00 H new ATOM 652 N TRP A 41 1.728 7.146 -3.443 1.00 0.00 N ATOM 653 CA TRP A 41 2.509 5.987 -3.834 1.00 0.00 C ATOM 654 C TRP A 41 1.637 4.967 -4.553 1.00 0.00 C ATOM 655 O TRP A 41 0.503 4.709 -4.153 1.00 0.00 O ATOM 656 CB TRP A 41 3.190 5.353 -2.622 1.00 0.00 C ATOM 657 CG TRP A 41 4.282 6.205 -2.047 1.00 0.00 C ATOM 658 CD1 TRP A 41 4.826 7.325 -2.607 1.00 0.00 C ATOM 659 CD2 TRP A 41 4.971 5.998 -0.811 1.00 0.00 C ATOM 660 NE1 TRP A 41 5.807 7.829 -1.792 1.00 0.00 N ATOM 661 CE2 TRP A 41 5.914 7.036 -0.684 1.00 0.00 C ATOM 662 CE3 TRP A 41 4.882 5.041 0.202 1.00 0.00 C ATOM 663 CZ2 TRP A 41 6.759 7.139 0.413 1.00 0.00 C ATOM 664 CZ3 TRP A 41 5.722 5.146 1.293 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.649 6.190 1.392 1.00 0.00 C ATOM 0 H TRP A 41 1.221 7.043 -2.564 1.00 0.00 H new ATOM 0 HA TRP A 41 3.285 6.321 -4.523 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.443 5.162 -1.852 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.605 4.387 -2.910 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.527 7.752 -3.553 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.366 8.661 -1.982 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.169 4.233 0.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.478 7.941 0.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.663 4.411 2.082 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.290 6.247 2.259 1.00 0.00 H new ATOM 676 N ARG A 42 2.175 4.411 -5.626 1.00 0.00 N ATOM 677 CA ARG A 42 1.483 3.404 -6.410 1.00 0.00 C ATOM 678 C ARG A 42 1.738 2.029 -5.813 1.00 0.00 C ATOM 679 O ARG A 42 2.853 1.505 -5.899 1.00 0.00 O ATOM 680 CB ARG A 42 1.971 3.447 -7.860 1.00 0.00 C ATOM 681 CG ARG A 42 1.399 2.348 -8.743 1.00 0.00 C ATOM 682 CD ARG A 42 -0.012 2.666 -9.217 1.00 0.00 C ATOM 683 NE ARG A 42 -0.024 3.713 -10.241 1.00 0.00 N ATOM 684 CZ ARG A 42 0.033 3.475 -11.555 1.00 0.00 C ATOM 685 NH1 ARG A 42 0.093 2.227 -12.009 1.00 0.00 N ATOM 686 NH2 ARG A 42 0.013 4.483 -12.417 1.00 0.00 N ATOM 0 H ARG A 42 3.103 4.646 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 42 0.412 3.607 -6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.713 4.415 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.059 3.375 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.047 2.205 -9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.392 1.408 -8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.472 1.763 -9.617 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.617 2.983 -8.367 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.079 4.684 -9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.096 1.445 -11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.136 2.051 -13.013 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.046 5.443 -12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.057 4.298 -13.419 1.00 0.00 H new ATOM 700 N VAL A 43 0.717 1.461 -5.198 1.00 0.00 N ATOM 701 CA VAL A 43 0.852 0.171 -4.544 1.00 0.00 C ATOM 702 C VAL A 43 -0.282 -0.770 -4.920 1.00 0.00 C ATOM 703 O VAL A 43 -1.327 -0.350 -5.417 1.00 0.00 O ATOM 704 CB VAL A 43 0.899 0.298 -3.010 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.241 0.849 -2.546 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.229 1.183 -2.525 1.00 0.00 C ATOM 0 H VAL A 43 -0.215 1.872 -5.137 1.00 0.00 H new ATOM 0 HA VAL A 43 1.799 -0.241 -4.894 1.00 0.00 H new ATOM 0 HB VAL A 43 0.778 -0.697 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.246 0.928 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.039 0.179 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.400 1.835 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.186 1.265 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.130 2.174 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.185 0.748 -2.818 1.00 0.00 H new ATOM 716 N ARG A 44 -0.043 -2.046 -4.676 1.00 0.00 N ATOM 717 CA ARG A 44 -1.010 -3.100 -4.927 1.00 0.00 C ATOM 718 C ARG A 44 -1.199 -3.908 -3.645 1.00 0.00 C ATOM 719 O ARG A 44 -0.229 -4.376 -3.061 1.00 0.00 O ATOM 720 CB ARG A 44 -0.502 -3.983 -6.081 1.00 0.00 C ATOM 721 CG ARG A 44 -1.443 -5.104 -6.501 1.00 0.00 C ATOM 722 CD ARG A 44 -1.160 -6.395 -5.748 1.00 0.00 C ATOM 723 NE ARG A 44 0.181 -6.914 -6.023 1.00 0.00 N ATOM 724 CZ ARG A 44 0.428 -8.147 -6.469 1.00 0.00 C ATOM 725 NH1 ARG A 44 -0.577 -8.985 -6.701 1.00 0.00 N ATOM 726 NH2 ARG A 44 1.678 -8.538 -6.681 1.00 0.00 N ATOM 0 H ARG A 44 0.840 -2.384 -4.293 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.974 -2.683 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.310 -3.348 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.452 -4.421 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.474 -4.798 -6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.343 -5.279 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.267 -6.220 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.901 -7.145 -6.024 1.00 0.00 H new ATOM 0 HE ARG A 44 0.976 -6.295 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.538 -8.686 -6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.387 -9.927 -7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.450 -7.896 -6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.867 -9.481 -7.022 1.00 0.00 H new ATOM 740 N ASN A 45 -2.437 -4.047 -3.195 1.00 0.00 N ATOM 741 CA ASN A 45 -2.706 -4.714 -1.919 1.00 0.00 C ATOM 742 C ASN A 45 -2.964 -6.211 -2.089 1.00 0.00 C ATOM 743 O ASN A 45 -2.925 -6.743 -3.199 1.00 0.00 O ATOM 744 CB ASN A 45 -3.887 -4.062 -1.182 1.00 0.00 C ATOM 745 CG ASN A 45 -5.180 -4.044 -1.980 1.00 0.00 C ATOM 746 OD1 ASN A 45 -5.395 -4.861 -2.877 1.00 0.00 O ATOM 747 ND2 ASN A 45 -6.061 -3.121 -1.634 1.00 0.00 N ATOM 0 H ASN A 45 -3.267 -3.713 -3.685 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.805 -4.595 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.057 -4.595 -0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.619 -3.038 -0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.958 -3.067 -2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.843 -2.463 -0.885 1.00 0.00 H new ATOM 754 N SER A 46 -3.246 -6.874 -0.966 1.00 0.00 N ATOM 755 CA SER A 46 -3.465 -8.319 -0.928 1.00 0.00 C ATOM 756 C SER A 46 -4.777 -8.717 -1.615 1.00 0.00 C ATOM 757 O SER A 46 -5.052 -9.901 -1.812 1.00 0.00 O ATOM 758 CB SER A 46 -3.466 -8.796 0.527 1.00 0.00 C ATOM 759 OG SER A 46 -2.316 -8.329 1.211 1.00 0.00 O ATOM 0 H SER A 46 -3.329 -6.422 -0.056 1.00 0.00 H new ATOM 0 HA SER A 46 -2.653 -8.798 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.364 -8.439 1.031 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.495 -9.885 0.557 1.00 0.00 H new ATOM 0 HG SER A 46 -2.337 -8.644 2.139 1.00 0.00 H new ATOM 765 N MET A 47 -5.585 -7.727 -1.979 1.00 0.00 N ATOM 766 CA MET A 47 -6.835 -7.983 -2.685 1.00 0.00 C ATOM 767 C MET A 47 -6.584 -7.960 -4.193 1.00 0.00 C ATOM 768 O MET A 47 -7.512 -8.064 -4.998 1.00 0.00 O ATOM 769 CB MET A 47 -7.887 -6.943 -2.275 1.00 0.00 C ATOM 770 CG MET A 47 -9.281 -7.196 -2.836 1.00 0.00 C ATOM 771 SD MET A 47 -10.535 -6.153 -2.068 1.00 0.00 S ATOM 772 CE MET A 47 -10.402 -6.665 -0.354 1.00 0.00 C ATOM 0 H MET A 47 -5.397 -6.741 -1.797 1.00 0.00 H new ATOM 0 HA MET A 47 -7.217 -8.969 -2.418 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.947 -6.916 -1.187 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.552 -5.958 -2.601 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.274 -7.018 -3.911 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.544 -8.243 -2.688 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.395 -6.696 0.095 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.951 -7.656 -0.304 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.780 -5.955 0.191 1.00 0.00 H new ATOM 782 N ASN A 48 -5.303 -7.832 -4.553 1.00 0.00 N ATOM 783 CA ASN A 48 -4.849 -7.857 -5.948 1.00 0.00 C ATOM 784 C ASN A 48 -5.302 -6.601 -6.678 1.00 0.00 C ATOM 785 O ASN A 48 -5.250 -6.519 -7.906 1.00 0.00 O ATOM 786 CB ASN A 48 -5.348 -9.111 -6.684 1.00 0.00 C ATOM 787 CG ASN A 48 -5.002 -10.399 -5.957 1.00 0.00 C ATOM 788 OD1 ASN A 48 -3.917 -10.954 -6.125 1.00 0.00 O ATOM 789 ND2 ASN A 48 -5.939 -10.891 -5.159 1.00 0.00 N ATOM 0 H ASN A 48 -4.546 -7.707 -3.880 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.759 -7.888 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.429 -9.048 -6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.915 -9.136 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.774 -11.763 -4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.825 -10.398 -5.048 1.00 0.00 H new ATOM 796 N LYS A 49 -5.725 -5.614 -5.909 1.00 0.00 N ATOM 797 CA LYS A 49 -6.171 -4.349 -6.459 1.00 0.00 C ATOM 798 C LYS A 49 -5.041 -3.337 -6.378 1.00 0.00 C ATOM 799 O LYS A 49 -4.060 -3.560 -5.667 1.00 0.00 O ATOM 800 CB LYS A 49 -7.414 -3.871 -5.709 1.00 0.00 C ATOM 801 CG LYS A 49 -8.601 -4.807 -5.896 1.00 0.00 C ATOM 802 CD LYS A 49 -9.845 -4.326 -5.168 1.00 0.00 C ATOM 803 CE LYS A 49 -11.029 -5.242 -5.446 1.00 0.00 C ATOM 804 NZ LYS A 49 -12.295 -4.730 -4.850 1.00 0.00 N ATOM 0 H LYS A 49 -5.769 -5.667 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.442 -4.470 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.184 -3.788 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.683 -2.873 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.821 -4.901 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.335 -5.801 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.652 -4.290 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.085 -3.310 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.156 -5.351 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.818 -6.235 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.898 -5.531 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.076 -4.157 -4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.795 -4.144 -5.548 1.00 0.00 H new ATOM 818 N THR A 50 -5.164 -2.238 -7.102 1.00 0.00 N ATOM 819 CA THR A 50 -4.069 -1.290 -7.225 1.00 0.00 C ATOM 820 C THR A 50 -4.594 0.139 -7.239 1.00 0.00 C ATOM 821 O THR A 50 -5.733 0.386 -7.629 1.00 0.00 O ATOM 822 CB THR A 50 -3.257 -1.537 -8.511 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.104 -2.948 -8.729 1.00 0.00 O ATOM 824 CG2 THR A 50 -1.883 -0.890 -8.418 1.00 0.00 C ATOM 0 H THR A 50 -6.009 -1.980 -7.613 1.00 0.00 H new ATOM 0 HA THR A 50 -3.419 -1.433 -6.362 1.00 0.00 H new ATOM 0 HB THR A 50 -3.798 -1.091 -9.346 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.588 -3.098 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.329 -1.078 -9.338 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.996 0.185 -8.276 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.338 -1.312 -7.573 1.00 0.00 H new ATOM 832 N GLY A 51 -3.752 1.068 -6.815 1.00 0.00 N ATOM 833 CA GLY A 51 -4.134 2.462 -6.763 1.00 0.00 C ATOM 834 C GLY A 51 -3.059 3.307 -6.116 1.00 0.00 C ATOM 835 O GLY A 51 -1.868 3.001 -6.231 1.00 0.00 O ATOM 0 H GLY A 51 -2.800 0.877 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.326 2.826 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.065 2.565 -6.205 1.00 0.00 H new ATOM 839 N PHE A 52 -3.474 4.358 -5.430 1.00 0.00 N ATOM 840 CA PHE A 52 -2.547 5.257 -4.771 1.00 0.00 C ATOM 841 C PHE A 52 -2.856 5.350 -3.285 1.00 0.00 C ATOM 842 O PHE A 52 -4.006 5.195 -2.868 1.00 0.00 O ATOM 843 CB PHE A 52 -2.606 6.648 -5.401 1.00 0.00 C ATOM 844 CG PHE A 52 -2.058 6.706 -6.797 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.692 6.786 -7.016 1.00 0.00 C ATOM 846 CD2 PHE A 52 -2.908 6.685 -7.891 1.00 0.00 C ATOM 847 CE1 PHE A 52 -0.181 6.846 -8.297 1.00 0.00 C ATOM 848 CE2 PHE A 52 -2.405 6.744 -9.176 1.00 0.00 C ATOM 849 CZ PHE A 52 -1.040 6.825 -9.381 1.00 0.00 C ATOM 0 H PHE A 52 -4.456 4.610 -5.315 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.541 4.856 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.642 6.987 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.050 7.344 -4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.018 6.802 -6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.975 6.622 -7.737 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.886 6.909 -8.452 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.078 6.727 -10.021 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.645 6.872 -10.385 1.00 0.00 H new ATOM 859 N VAL A 53 -1.821 5.586 -2.494 1.00 0.00 N ATOM 860 CA VAL A 53 -1.966 5.718 -1.052 1.00 0.00 C ATOM 861 C VAL A 53 -1.232 6.949 -0.527 1.00 0.00 C ATOM 862 O VAL A 53 -0.253 7.403 -1.124 1.00 0.00 O ATOM 863 CB VAL A 53 -1.444 4.473 -0.303 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.338 3.280 -0.558 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.011 4.163 -0.705 1.00 0.00 C ATOM 0 H VAL A 53 -0.864 5.691 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.034 5.823 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.460 4.690 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.951 2.414 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.347 3.501 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.360 3.064 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.336 3.282 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.033 3.972 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.627 5.013 -0.462 1.00 0.00 H new ATOM 875 N PRO A 54 -1.715 7.504 0.596 1.00 0.00 N ATOM 876 CA PRO A 54 -1.078 8.635 1.278 1.00 0.00 C ATOM 877 C PRO A 54 0.216 8.220 1.978 1.00 0.00 C ATOM 878 O PRO A 54 0.219 7.313 2.812 1.00 0.00 O ATOM 879 CB PRO A 54 -2.127 9.062 2.309 1.00 0.00 C ATOM 880 CG PRO A 54 -2.900 7.819 2.585 1.00 0.00 C ATOM 881 CD PRO A 54 -2.943 7.072 1.285 1.00 0.00 C ATOM 0 HA PRO A 54 -0.795 9.428 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.660 9.449 3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.769 9.852 1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.421 7.224 3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.905 8.053 2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.956 5.994 1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.834 7.321 0.709 1.00 0.00 H new ATOM 889 N SER A 55 1.305 8.905 1.657 1.00 0.00 N ATOM 890 CA SER A 55 2.622 8.564 2.186 1.00 0.00 C ATOM 891 C SER A 55 2.729 8.819 3.693 1.00 0.00 C ATOM 892 O SER A 55 3.681 8.384 4.341 1.00 0.00 O ATOM 893 CB SER A 55 3.682 9.353 1.422 1.00 0.00 C ATOM 894 OG SER A 55 3.187 10.634 1.065 1.00 0.00 O ATOM 0 H SER A 55 1.303 9.707 1.027 1.00 0.00 H new ATOM 0 HA SER A 55 2.783 7.495 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.576 9.460 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.974 8.807 0.525 1.00 0.00 H new ATOM 0 HG SER A 55 2.859 10.612 0.142 1.00 0.00 H new ATOM 900 N ASN A 56 1.747 9.515 4.251 1.00 0.00 N ATOM 901 CA ASN A 56 1.712 9.768 5.689 1.00 0.00 C ATOM 902 C ASN A 56 1.223 8.529 6.440 1.00 0.00 C ATOM 903 O ASN A 56 1.550 8.324 7.610 1.00 0.00 O ATOM 904 CB ASN A 56 0.795 10.955 6.004 1.00 0.00 C ATOM 905 CG ASN A 56 0.832 11.363 7.472 1.00 0.00 C ATOM 906 OD1 ASN A 56 2.016 11.370 8.067 1.00 0.00 O flip ATOM 907 ND2 ASN A 56 -0.195 11.711 8.058 1.00 0.00 N flip ATOM 0 H ASN A 56 0.965 9.915 3.733 1.00 0.00 H new ATOM 0 HA ASN A 56 2.725 10.005 6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.087 11.806 5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.228 10.699 5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.091 11.694 7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.149 12.016 9.030 1.00 0.00 H new ATOM 914 N TYR A 57 0.445 7.697 5.757 1.00 0.00 N ATOM 915 CA TYR A 57 -0.144 6.521 6.380 1.00 0.00 C ATOM 916 C TYR A 57 0.560 5.240 5.941 1.00 0.00 C ATOM 917 O TYR A 57 0.315 4.169 6.495 1.00 0.00 O ATOM 918 CB TYR A 57 -1.637 6.431 6.048 1.00 0.00 C ATOM 919 CG TYR A 57 -2.486 7.492 6.718 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.677 8.739 6.132 1.00 0.00 C ATOM 921 CD2 TYR A 57 -3.101 7.243 7.937 1.00 0.00 C ATOM 922 CE1 TYR A 57 -3.453 9.706 6.746 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.878 8.203 8.557 1.00 0.00 C ATOM 924 CZ TYR A 57 -4.054 9.431 7.958 1.00 0.00 C ATOM 925 OH TYR A 57 -4.832 10.389 8.572 1.00 0.00 O ATOM 0 H TYR A 57 0.208 7.816 4.772 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.019 6.625 7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.763 6.509 4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.005 5.448 6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.212 8.956 5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.970 6.281 8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.588 10.671 6.280 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.345 7.991 9.507 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.182 10.035 9.416 1.00 0.00 H new ATOM 935 N VAL A 58 1.430 5.346 4.949 1.00 0.00 N ATOM 936 CA VAL A 58 2.130 4.177 4.432 1.00 0.00 C ATOM 937 C VAL A 58 3.642 4.348 4.540 1.00 0.00 C ATOM 938 O VAL A 58 4.153 5.468 4.525 1.00 0.00 O ATOM 939 CB VAL A 58 1.756 3.874 2.966 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.280 3.580 2.834 1.00 0.00 C ATOM 941 CG2 VAL A 58 2.141 5.017 2.049 1.00 0.00 C ATOM 0 H VAL A 58 1.669 6.223 4.487 1.00 0.00 H new ATOM 0 HA VAL A 58 1.815 3.334 5.048 1.00 0.00 H new ATOM 0 HB VAL A 58 2.318 2.990 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.043 3.370 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.025 2.715 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.294 4.443 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.863 4.771 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.620 5.923 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.217 5.181 2.104 1.00 0.00 H new ATOM 951 N GLU A 59 4.348 3.229 4.649 1.00 0.00 N ATOM 952 CA GLU A 59 5.798 3.234 4.789 1.00 0.00 C ATOM 953 C GLU A 59 6.411 2.251 3.800 1.00 0.00 C ATOM 954 O GLU A 59 5.708 1.421 3.222 1.00 0.00 O ATOM 955 CB GLU A 59 6.198 2.823 6.213 1.00 0.00 C ATOM 956 CG GLU A 59 5.627 3.709 7.305 1.00 0.00 C ATOM 957 CD GLU A 59 6.452 4.955 7.560 1.00 0.00 C ATOM 958 OE1 GLU A 59 6.327 5.924 6.791 1.00 0.00 O ATOM 959 OE2 GLU A 59 7.222 4.968 8.546 1.00 0.00 O ATOM 0 H GLU A 59 3.933 2.297 4.643 1.00 0.00 H new ATOM 0 HA GLU A 59 6.163 4.241 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.873 1.797 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.285 2.830 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.613 4.003 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.555 3.134 8.228 1.00 0.00 H new ATOM 966 N ARG A 60 7.715 2.346 3.594 1.00 0.00 N ATOM 967 CA ARG A 60 8.418 1.350 2.806 1.00 0.00 C ATOM 968 C ARG A 60 9.877 1.252 3.203 1.00 0.00 C ATOM 969 O ARG A 60 10.361 2.019 4.035 1.00 0.00 O ATOM 970 CB ARG A 60 8.279 1.597 1.297 1.00 0.00 C ATOM 971 CG ARG A 60 8.339 3.047 0.847 1.00 0.00 C ATOM 972 CD ARG A 60 9.737 3.638 0.935 1.00 0.00 C ATOM 973 NE ARG A 60 9.910 4.735 -0.020 1.00 0.00 N ATOM 974 CZ ARG A 60 10.053 6.017 0.316 1.00 0.00 C ATOM 975 NH1 ARG A 60 10.032 6.395 1.592 1.00 0.00 N ATOM 976 NH2 ARG A 60 10.191 6.931 -0.633 1.00 0.00 N ATOM 0 H ARG A 60 8.302 3.096 3.958 1.00 0.00 H new ATOM 0 HA ARG A 60 7.943 0.393 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.068 1.046 0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.330 1.175 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.985 3.118 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.660 3.640 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.918 4.001 1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.476 2.861 0.738 1.00 0.00 H new ATOM 0 HE ARG A 60 9.922 4.501 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.905 5.700 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.143 7.380 1.834 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.187 6.652 -1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.301 7.914 -0.383 1.00 0.00 H new ATOM 990 N LYS A 61 10.561 0.295 2.600 1.00 0.00 N ATOM 991 CA LYS A 61 11.947 0.013 2.924 1.00 0.00 C ATOM 992 C LYS A 61 12.847 1.138 2.428 1.00 0.00 C ATOM 993 O LYS A 61 13.043 1.306 1.225 1.00 0.00 O ATOM 994 CB LYS A 61 12.365 -1.318 2.293 1.00 0.00 C ATOM 995 CG LYS A 61 11.389 -2.457 2.559 1.00 0.00 C ATOM 996 CD LYS A 61 11.338 -2.838 4.033 1.00 0.00 C ATOM 997 CE LYS A 61 10.286 -3.908 4.293 1.00 0.00 C ATOM 998 NZ LYS A 61 10.348 -4.424 5.686 1.00 0.00 N ATOM 0 H LYS A 61 10.172 -0.306 1.874 1.00 0.00 H new ATOM 0 HA LYS A 61 12.050 -0.058 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.467 -1.183 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.347 -1.597 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.393 -2.165 2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.679 -3.327 1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.315 -3.201 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.116 -1.954 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.295 -3.496 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.427 -4.733 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.615 -5.150 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.285 -4.841 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.187 -3.643 6.353 1.00 0.00 H new ATOM 1012 N ASN A 62 13.359 1.921 3.363 1.00 0.00 N ATOM 1013 CA ASN A 62 14.277 3.010 3.046 1.00 0.00 C ATOM 1014 C ASN A 62 15.702 2.516 3.164 1.00 0.00 C ATOM 1015 O ASN A 62 16.538 2.748 2.293 1.00 0.00 O ATOM 1016 CB ASN A 62 14.047 4.196 3.994 1.00 0.00 C ATOM 1017 CG ASN A 62 15.078 5.305 3.834 1.00 0.00 C ATOM 1018 OD1 ASN A 62 14.907 6.222 3.027 1.00 0.00 O ATOM 1019 ND2 ASN A 62 16.143 5.237 4.619 1.00 0.00 N ATOM 0 H ASN A 62 13.154 1.824 4.357 1.00 0.00 H new ATOM 0 HA ASN A 62 14.095 3.346 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.053 4.606 3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.066 3.838 5.023 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.860 5.961 4.569 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.246 4.461 5.273 1.00 0.00 H new ATOM 1026 N SER A 63 15.959 1.816 4.246 1.00 0.00 N ATOM 1027 CA SER A 63 17.257 1.247 4.496 1.00 0.00 C ATOM 1028 C SER A 63 17.095 -0.164 5.047 1.00 0.00 C ATOM 1029 O SER A 63 17.443 -1.125 4.334 1.00 0.00 O ATOM 1030 CB SER A 63 18.048 2.145 5.453 1.00 0.00 C ATOM 1031 OG SER A 63 17.199 2.727 6.432 1.00 0.00 O ATOM 0 H SER A 63 15.272 1.627 4.975 1.00 0.00 H new ATOM 0 HA SER A 63 17.821 1.184 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 63 18.826 1.561 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 63 18.548 2.931 4.888 1.00 0.00 H new ATOM 0 HG SER A 63 17.730 3.294 7.030 1.00 0.00 H new TER 1037 SER A 63