USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -50:sc= 1.05 USER MOD Set 1.2: A 57 SER OG : rot -21:sc= 0.356 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.0213 X(o=0.045,f=-0.45) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -143:sc= 0.0237 (180deg=0) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 169:sc= 1.12 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 176:sc= 0.965 USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0766) USER MOD Single : A 1 MET N :NH3+ 173:sc= 2.49 (180deg=2.3) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 11 LYS NZ :NH3+ -107:sc= 0.756 (180deg=-0.868!) 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 27 LYS NZ :NH3+ -127:sc= 0.915 (180deg=0.662!) USER MOD Single : A 31 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 41 GLN : amide:sc= 0.415 K(o=0.42,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.00027) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.743 USER MOD Single : A 60 ASN : amide:sc=-0.00188 X(o=-0.0019,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00211) USER MOD Single : A 65 SER OG : rot 81:sc= 0.971 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.434 K(o=0.43,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.174 -6.661 -5.108 1.00 9.67 N ATOM 2 CA MET A 1 11.232 -7.002 -3.662 1.00 10.38 C ATOM 3 C MET A 1 9.869 -7.356 -3.177 1.00 9.62 C ATOM 4 O MET A 1 8.767 -6.903 -3.576 1.00 9.62 O ATOM 5 CB MET A 1 11.799 -5.841 -2.752 1.00 13.77 C ATOM 6 CG MET A 1 10.931 -4.674 -2.248 1.00 16.29 C ATOM 7 SD MET A 1 11.898 -3.290 -1.638 1.00 17.17 S ATOM 8 CE MET A 1 10.789 -2.126 -2.449 1.00 16.11 C ATOM 0 H1 MET A 1 12.099 -6.301 -5.417 1.00 9.67 H new ATOM 0 H2 MET A 1 10.933 -7.511 -5.656 1.00 9.67 H new ATOM 0 H3 MET A 1 10.449 -5.932 -5.264 1.00 9.67 H new ATOM 0 HA MET A 1 11.921 -7.843 -3.580 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.220 -6.318 -1.867 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.629 -5.395 -3.300 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.288 -4.331 -3.058 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.278 -5.032 -1.452 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.052 -1.109 -2.157 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.881 -2.228 -3.530 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.761 -2.335 -2.151 1.00 16.11 H new ATOM 20 N GLN A 2 9.839 -8.304 -2.232 1.00 9.27 N ATOM 21 CA GLN A 2 8.598 -8.693 -1.588 1.00 9.07 C ATOM 22 C GLN A 2 8.161 -7.802 -0.381 1.00 8.72 C ATOM 23 O GLN A 2 8.945 -7.395 0.456 1.00 8.22 O ATOM 24 CB GLN A 2 8.708 -10.203 -1.099 1.00 14.46 C ATOM 25 CG GLN A 2 7.449 -10.809 -0.442 1.00 17.01 C ATOM 26 CD GLN A 2 7.584 -12.241 0.059 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.918 -13.163 -0.383 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.445 -12.420 1.133 1.00 19.49 N ATOM 0 H GLN A 2 10.662 -8.809 -1.904 1.00 9.27 H new ATOM 0 HA GLN A 2 7.828 -8.561 -2.348 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.976 -10.820 -1.956 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.531 -10.272 -0.387 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.161 -10.176 0.398 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.633 -10.772 -1.164 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.992 -11.634 1.485 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.531 -13.338 1.570 1.00 19.49 H new ATOM 37 N ILE A 3 6.875 -7.531 -0.191 1.00 5.87 N ATOM 38 CA ILE A 3 6.301 -6.778 0.918 1.00 5.07 C ATOM 39 C ILE A 3 4.900 -7.303 1.267 1.00 4.01 C ATOM 40 O ILE A 3 4.257 -7.945 0.423 1.00 4.61 O ATOM 41 CB ILE A 3 6.205 -5.263 0.646 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.351 -4.887 -0.589 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.606 -4.670 0.556 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.314 -3.418 -0.945 1.00 10.83 C ATOM 0 H ILE A 3 6.162 -7.850 -0.847 1.00 5.87 H new ATOM 0 HA ILE A 3 6.985 -6.924 1.754 1.00 5.07 H new ATOM 0 HB ILE A 3 5.671 -4.828 1.491 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.728 -5.440 -1.449 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.329 -5.225 -0.416 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.536 -3.599 0.364 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.133 -4.836 1.496 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.153 -5.150 -0.256 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.687 -3.272 -1.825 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.904 -2.851 -0.109 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.325 -3.070 -1.158 1.00 10.83 H new ATOM 56 N PHE A 4 4.423 -7.063 2.486 1.00 4.55 N ATOM 57 CA PHE A 4 3.291 -7.698 3.144 1.00 4.68 C ATOM 58 C PHE A 4 2.277 -6.654 3.453 1.00 5.30 C ATOM 59 O PHE A 4 2.551 -5.613 4.059 1.00 5.58 O ATOM 60 CB PHE A 4 3.746 -8.411 4.437 1.00 4.83 C ATOM 61 CG PHE A 4 4.525 -9.605 4.062 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.909 -10.861 3.791 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.974 -9.622 4.043 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.668 -12.015 3.539 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.702 -10.720 3.665 1.00 10.61 C ATOM 66 CZ PHE A 4 6.080 -11.926 3.409 1.00 8.90 C ATOM 0 H PHE A 4 4.856 -6.361 3.086 1.00 4.55 H new ATOM 0 HA PHE A 4 2.857 -8.450 2.485 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.351 -7.740 5.047 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.882 -8.695 5.037 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.831 -10.927 3.779 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.504 -8.729 4.340 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.177 -12.972 3.444 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.775 -10.641 3.566 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.658 -12.789 3.114 1.00 8.90 H new ATOM 76 N VAL A 5 1.006 -6.855 3.036 1.00 4.44 N ATOM 77 CA VAL A 5 -0.078 -5.880 3.345 1.00 3.87 C ATOM 78 C VAL A 5 -1.126 -6.474 4.242 1.00 4.93 C ATOM 79 O VAL A 5 -1.814 -7.400 3.885 1.00 6.84 O ATOM 80 CB VAL A 5 -0.767 -5.332 2.028 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.979 -4.552 2.538 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.251 -4.488 1.286 1.00 9.13 C ATOM 0 H VAL A 5 0.704 -7.665 2.495 1.00 4.44 H new ATOM 0 HA VAL A 5 0.400 -5.050 3.866 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.097 -6.090 1.318 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.523 -4.132 1.692 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.635 -5.222 3.095 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.644 -3.746 3.191 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.197 -4.097 0.373 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.567 -3.659 1.919 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.116 -5.101 1.032 1.00 9.13 H new ATOM 92 N LYS A 6 -1.267 -5.850 5.446 1.00 6.04 N ATOM 93 CA LYS A 6 -2.264 -6.325 6.429 1.00 6.12 C ATOM 94 C LYS A 6 -3.559 -5.491 6.445 1.00 6.57 C ATOM 95 O LYS A 6 -3.501 -4.268 6.592 1.00 5.76 O ATOM 96 CB LYS A 6 -1.760 -6.313 7.896 1.00 7.45 C ATOM 97 CG LYS A 6 -0.445 -7.019 8.049 1.00 11.12 C ATOM 98 CD LYS A 6 -0.415 -8.577 7.746 1.00 14.54 C ATOM 99 CE LYS A 6 -1.279 -9.399 8.695 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.680 -10.799 8.962 1.00 20.55 N ATOM 0 H LYS A 6 -0.719 -5.044 5.746 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.450 -7.344 6.088 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.659 -5.282 8.235 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.502 -6.788 8.537 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.277 -6.534 7.392 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.098 -6.867 9.071 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.751 -8.746 6.723 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.614 -8.931 7.806 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.388 -8.866 9.639 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.278 -9.507 8.273 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.191 -11.251 9.747 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.771 -11.384 8.107 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.325 -10.705 9.212 1.00 20.55 H new ATOM 114 N THR A 7 -4.684 -6.200 6.343 1.00 7.41 N ATOM 115 CA THR A 7 -5.956 -5.566 6.058 1.00 7.48 C ATOM 116 C THR A 7 -6.798 -5.308 7.227 1.00 8.75 C ATOM 117 O THR A 7 -6.496 -5.643 8.378 1.00 8.58 O ATOM 118 CB THR A 7 -6.751 -6.262 4.985 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.335 -7.465 5.459 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.883 -6.621 3.771 1.00 9.17 C ATOM 0 H THR A 7 -4.732 -7.213 6.455 1.00 7.41 H new ATOM 0 HA THR A 7 -5.652 -4.591 5.677 1.00 7.48 H new ATOM 0 HB THR A 7 -7.528 -5.556 4.693 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.844 -7.888 4.737 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.496 -7.121 3.021 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.459 -5.712 3.345 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.077 -7.285 4.083 1.00 9.17 H new ATOM 128 N LEU A 8 -7.984 -4.742 7.083 1.00 9.84 N ATOM 129 CA LEU A 8 -8.909 -4.432 8.160 1.00 14.15 C ATOM 130 C LEU A 8 -9.409 -5.735 8.827 1.00 17.37 C ATOM 131 O LEU A 8 -9.698 -5.678 10.002 1.00 17.01 O ATOM 132 CB LEU A 8 -10.179 -3.774 7.578 1.00 16.63 C ATOM 133 CG LEU A 8 -9.968 -2.405 6.887 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.258 -1.954 6.263 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.453 -1.281 7.870 1.00 18.59 C ATOM 0 H LEU A 8 -8.346 -4.473 6.168 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.386 -3.786 8.865 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.624 -4.460 6.857 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.902 -3.646 8.384 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.195 -2.552 6.132 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.109 -0.990 5.776 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.581 -2.687 5.524 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.021 -1.857 7.035 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.326 -0.348 7.321 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.180 -1.136 8.670 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.497 -1.582 8.299 1.00 18.59 H new ATOM 147 N THR A 9 -9.478 -6.844 8.137 1.00 18.33 N ATOM 148 CA THR A 9 -9.951 -8.117 8.654 1.00 19.24 C ATOM 149 C THR A 9 -8.823 -8.981 9.196 1.00 19.48 C ATOM 150 O THR A 9 -9.132 -10.078 9.690 1.00 23.14 O ATOM 151 CB THR A 9 -10.685 -8.923 7.588 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.953 -9.105 6.387 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.970 -8.144 7.129 1.00 19.70 C ATOM 0 H THR A 9 -9.196 -6.894 7.158 1.00 18.33 H new ATOM 0 HA THR A 9 -10.632 -7.861 9.466 1.00 19.24 H new ATOM 0 HB THR A 9 -10.878 -9.886 8.061 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.487 -9.631 5.755 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.493 -8.722 6.367 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.628 -7.992 7.984 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.681 -7.177 6.717 1.00 19.70 H new ATOM 161 N GLY A 10 -7.556 -8.515 9.146 1.00 19.43 N ATOM 162 CA GLY A 10 -6.335 -9.283 9.509 1.00 18.74 C ATOM 163 C GLY A 10 -5.709 -10.091 8.321 1.00 17.62 C ATOM 164 O GLY A 10 -4.663 -10.730 8.443 1.00 19.74 O ATOM 0 H GLY A 10 -7.343 -7.565 8.843 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.587 -8.592 9.898 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.580 -9.975 10.315 1.00 18.74 H new ATOM 168 N LYS A 11 -6.279 -9.969 7.117 1.00 13.56 N ATOM 169 CA LYS A 11 -5.795 -10.647 5.928 1.00 11.91 C ATOM 170 C LYS A 11 -4.357 -10.370 5.479 1.00 10.18 C ATOM 171 O LYS A 11 -3.940 -9.216 5.598 1.00 9.10 O ATOM 172 CB LYS A 11 -6.758 -10.537 4.696 1.00 13.43 C ATOM 173 CG LYS A 11 -6.742 -11.747 3.791 1.00 16.69 C ATOM 174 CD LYS A 11 -7.649 -11.589 2.603 1.00 17.92 C ATOM 175 CE LYS A 11 -7.334 -12.696 1.574 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.023 -12.407 0.290 1.00 21.93 N ATOM 0 H LYS A 11 -7.099 -9.387 6.948 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.782 -11.672 6.299 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.775 -10.379 5.056 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.486 -9.657 4.113 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.724 -11.925 3.445 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.044 -12.626 4.360 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.691 -11.652 2.915 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.510 -10.606 2.152 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.258 -12.758 1.413 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.655 -13.664 1.959 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.821 -13.063 0.169 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.377 -11.429 0.298 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.354 -12.527 -0.497 1.00 21.93 H new ATOM 190 N THR A 12 -3.578 -11.387 5.006 1.00 9.63 N ATOM 191 CA THR A 12 -2.238 -11.017 4.538 1.00 9.85 C ATOM 192 C THR A 12 -2.173 -10.998 3.042 1.00 11.66 C ATOM 193 O THR A 12 -2.346 -12.028 2.380 1.00 12.33 O ATOM 194 CB THR A 12 -1.184 -12.002 5.019 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.121 -11.983 6.436 1.00 10.91 O ATOM 196 CG2 THR A 12 0.304 -11.604 4.625 1.00 9.63 C ATOM 0 H THR A 12 -3.833 -12.373 4.946 1.00 9.63 H new ATOM 0 HA THR A 12 -2.040 -10.025 4.944 1.00 9.85 H new ATOM 0 HB THR A 12 -1.482 -12.948 4.568 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.488 -12.665 6.744 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.995 -12.357 5.005 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.390 -11.547 3.540 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.549 -10.635 5.060 1.00 9.63 H new ATOM 204 N ILE A 13 -1.891 -9.813 2.454 1.00 10.42 N ATOM 205 CA ILE A 13 -1.670 -9.867 1.005 1.00 11.84 C ATOM 206 C ILE A 13 -0.197 -9.759 0.799 1.00 10.55 C ATOM 207 O ILE A 13 0.510 -8.965 1.388 1.00 11.92 O ATOM 208 CB ILE A 13 -2.307 -8.586 0.373 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.560 -8.101 1.071 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.525 -8.886 -1.114 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.243 -6.896 0.369 1.00 16.46 C ATOM 0 H ILE A 13 -1.818 -8.902 2.907 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.090 -10.774 0.570 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.626 -7.745 0.500 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.272 -8.924 1.133 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.309 -7.819 2.094 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.970 -8.017 -1.599 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.568 -9.113 -1.583 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.193 -9.741 -1.219 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.133 -6.606 0.928 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.549 -6.056 0.331 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.527 -7.179 -0.645 1.00 16.46 H new ATOM 223 N THR A 14 0.375 -10.592 -0.098 1.00 9.39 N ATOM 224 CA THR A 14 1.816 -10.639 -0.270 1.00 9.63 C ATOM 225 C THR A 14 2.100 -10.154 -1.668 1.00 11.20 C ATOM 226 O THR A 14 1.519 -10.692 -2.636 1.00 11.63 O ATOM 227 CB THR A 14 2.327 -12.086 -0.196 1.00 10.38 C ATOM 228 OG1 THR A 14 1.915 -12.768 0.996 1.00 16.30 O ATOM 229 CG2 THR A 14 3.871 -12.130 -0.140 1.00 11.66 C ATOM 0 H THR A 14 -0.146 -11.229 -0.701 1.00 9.39 H new ATOM 0 HA THR A 14 2.296 -10.041 0.505 1.00 9.63 H new ATOM 0 HB THR A 14 1.915 -12.562 -1.086 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.267 -13.683 0.988 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.204 -13.167 -0.088 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.281 -11.662 -1.035 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.219 -11.593 0.742 1.00 11.66 H new ATOM 237 N LEU A 15 2.968 -9.143 -1.835 1.00 8.29 N ATOM 238 CA LEU A 15 3.043 -8.316 -3.025 1.00 9.03 C ATOM 239 C LEU A 15 4.485 -8.352 -3.420 1.00 8.59 C ATOM 240 O LEU A 15 5.432 -8.654 -2.626 1.00 7.79 O ATOM 241 CB LEU A 15 2.589 -6.880 -2.993 1.00 11.08 C ATOM 242 CG LEU A 15 1.149 -6.617 -2.531 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.988 -5.106 -2.501 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.211 -7.277 -3.454 1.00 15.27 C ATOM 0 H LEU A 15 3.649 -8.881 -1.122 1.00 8.29 H new ATOM 0 HA LEU A 15 2.314 -8.744 -3.713 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.262 -6.326 -2.338 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.705 -6.465 -3.994 1.00 11.08 H new ATOM 0 HG LEU A 15 0.937 -7.025 -1.543 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.022 -4.854 -2.178 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.709 -4.677 -1.805 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.161 -4.702 -3.498 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.812 -7.091 -3.127 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.349 -6.879 -4.459 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.401 -8.350 -3.460 1.00 15.27 H new ATOM 256 N GLU A 16 4.719 -8.136 -4.726 1.00 11.04 N ATOM 257 CA GLU A 16 5.994 -7.989 -5.388 1.00 11.50 C ATOM 258 C GLU A 16 6.084 -6.632 -6.047 1.00 10.13 C ATOM 259 O GLU A 16 5.236 -6.247 -6.860 1.00 9.83 O ATOM 260 CB GLU A 16 6.229 -9.065 -6.528 1.00 17.22 C ATOM 261 CG GLU A 16 7.449 -8.833 -7.501 1.00 23.33 C ATOM 262 CD GLU A 16 8.714 -9.079 -6.615 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.787 -10.056 -5.942 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.715 -8.292 -6.702 1.00 28.90 O ATOM 0 H GLU A 16 3.946 -8.056 -5.386 1.00 11.04 H new ATOM 0 HA GLU A 16 6.747 -8.120 -4.611 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.357 -10.038 -6.053 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.323 -9.121 -7.131 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.418 -9.520 -8.347 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.443 -7.823 -7.911 1.00 23.33 H new ATOM 271 N VAL A 17 7.095 -5.846 -5.703 1.00 8.99 N ATOM 272 CA VAL A 17 7.204 -4.443 -6.067 1.00 8.85 C ATOM 273 C VAL A 17 8.639 -4.027 -6.347 1.00 8.04 C ATOM 274 O VAL A 17 9.524 -4.650 -5.773 1.00 8.99 O ATOM 275 CB VAL A 17 6.625 -3.501 -5.004 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.121 -3.697 -4.895 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.346 -3.755 -3.631 1.00 10.54 C ATOM 0 H VAL A 17 7.883 -6.178 -5.147 1.00 8.99 H new ATOM 0 HA VAL A 17 6.614 -4.350 -6.979 1.00 8.85 H new ATOM 0 HB VAL A 17 6.800 -2.465 -5.293 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.720 -3.023 -4.138 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.655 -3.480 -5.856 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.908 -4.728 -4.613 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.935 -3.086 -2.875 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.190 -4.789 -3.324 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.414 -3.566 -3.740 1.00 10.54 H new ATOM 287 N GLU A 18 8.852 -2.980 -7.120 1.00 7.29 N ATOM 288 CA GLU A 18 10.204 -2.420 -7.220 1.00 7.08 C ATOM 289 C GLU A 18 10.303 -1.144 -6.451 1.00 6.45 C ATOM 290 O GLU A 18 9.301 -0.445 -6.223 1.00 5.28 O ATOM 291 CB GLU A 18 10.621 -2.244 -8.732 1.00 10.28 C ATOM 292 CG GLU A 18 10.515 -3.505 -9.605 1.00 12.65 C ATOM 293 CD GLU A 18 11.675 -4.407 -9.246 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.602 -5.155 -8.246 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.654 -4.426 -9.992 1.00 14.33 O ATOM 0 H GLU A 18 8.139 -2.506 -7.675 1.00 7.29 H new ATOM 0 HA GLU A 18 10.911 -3.119 -6.772 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.998 -1.466 -9.173 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.650 -1.886 -8.766 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.566 -4.013 -9.431 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.547 -3.243 -10.662 1.00 12.65 H new ATOM 302 N PRO A 19 11.512 -0.722 -5.981 1.00 7.24 N ATOM 303 CA PRO A 19 11.701 0.566 -5.228 1.00 7.07 C ATOM 304 C PRO A 19 11.290 1.847 -5.934 1.00 6.65 C ATOM 305 O PRO A 19 11.014 2.844 -5.252 1.00 6.37 O ATOM 306 CB PRO A 19 13.211 0.471 -5.019 1.00 7.61 C ATOM 307 CG PRO A 19 13.534 -0.976 -4.819 1.00 8.16 C ATOM 308 CD PRO A 19 12.655 -1.600 -5.868 1.00 7.49 C ATOM 0 HA PRO A 19 11.069 0.647 -4.344 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.746 0.870 -5.881 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.518 1.058 -4.154 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.590 -1.191 -4.981 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.289 -1.321 -3.814 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.180 -1.687 -6.820 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.351 -2.606 -5.579 1.00 7.49 H new ATOM 316 N SER A 20 11.298 1.837 -7.260 1.00 6.80 N ATOM 317 CA SER A 20 10.909 2.993 -8.037 1.00 6.28 C ATOM 318 C SER A 20 9.385 3.009 -8.287 1.00 8.45 C ATOM 319 O SER A 20 8.801 3.989 -8.777 1.00 7.26 O ATOM 320 CB SER A 20 11.756 3.183 -9.325 1.00 8.57 C ATOM 321 OG SER A 20 11.724 2.073 -10.231 1.00 11.13 O ATOM 0 H SER A 20 11.573 1.030 -7.819 1.00 6.80 H new ATOM 0 HA SER A 20 11.137 3.874 -7.437 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.403 4.072 -9.848 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.791 3.371 -9.039 1.00 8.57 H new ATOM 0 HG SER A 20 12.279 2.273 -11.013 1.00 11.13 H new ATOM 327 N ASP A 21 8.583 1.970 -7.953 1.00 7.50 N ATOM 328 CA ASP A 21 7.164 1.992 -8.036 1.00 7.70 C ATOM 329 C ASP A 21 6.449 3.038 -7.081 1.00 7.08 C ATOM 330 O ASP A 21 6.873 3.270 -5.915 1.00 8.11 O ATOM 331 CB ASP A 21 6.649 0.506 -7.717 1.00 11.00 C ATOM 332 CG ASP A 21 7.112 -0.489 -8.759 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.667 -0.078 -9.871 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.049 -1.754 -8.501 1.00 18.03 O ATOM 0 H ASP A 21 8.950 1.082 -7.612 1.00 7.50 H new ATOM 0 HA ASP A 21 6.899 2.322 -9.040 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.012 0.199 -6.736 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.560 0.502 -7.670 1.00 11.00 H new ATOM 339 N THR A 22 5.427 3.685 -7.607 1.00 5.37 N ATOM 340 CA THR A 22 4.699 4.660 -6.835 1.00 6.01 C ATOM 341 C THR A 22 3.787 4.008 -5.852 1.00 8.01 C ATOM 342 O THR A 22 3.401 2.847 -6.037 1.00 8.11 O ATOM 343 CB THR A 22 3.806 5.695 -7.625 1.00 8.92 C ATOM 344 OG1 THR A 22 2.877 5.100 -8.528 1.00 10.22 O ATOM 345 CG2 THR A 22 4.889 6.432 -8.485 1.00 9.65 C ATOM 0 H THR A 22 5.088 3.551 -8.559 1.00 5.37 H new ATOM 0 HA THR A 22 5.516 5.217 -6.377 1.00 6.01 H new ATOM 0 HB THR A 22 3.202 6.296 -6.945 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.361 5.802 -8.977 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.409 7.195 -9.098 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.619 6.902 -7.826 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.393 5.712 -9.130 1.00 9.65 H new ATOM 353 N ILE A 23 3.382 4.693 -4.769 1.00 8.32 N ATOM 354 CA ILE A 23 2.375 4.203 -3.847 1.00 9.92 C ATOM 355 C ILE A 23 1.042 3.918 -4.603 1.00 10.01 C ATOM 356 O ILE A 23 0.503 2.804 -4.428 1.00 8.71 O ATOM 357 CB ILE A 23 2.139 5.164 -2.680 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.511 5.612 -2.002 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.104 4.598 -1.645 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.604 4.565 -1.739 1.00 12.30 C ATOM 0 H ILE A 23 3.755 5.609 -4.518 1.00 8.32 H new ATOM 0 HA ILE A 23 2.750 3.272 -3.422 1.00 9.92 H new ATOM 0 HB ILE A 23 1.686 6.066 -3.091 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.947 6.388 -2.631 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.267 6.076 -1.046 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.970 5.315 -0.835 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.149 4.428 -2.142 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.474 3.657 -1.238 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.465 5.046 -1.274 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.216 3.794 -1.074 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.908 4.111 -2.682 1.00 12.30 H new ATOM 372 N GLU A 24 0.588 4.797 -5.517 1.00 9.54 N ATOM 373 CA GLU A 24 -0.542 4.621 -6.414 1.00 11.81 C ATOM 374 C GLU A 24 -0.536 3.325 -7.269 1.00 11.14 C ATOM 375 O GLU A 24 -1.589 2.782 -7.696 1.00 10.62 O ATOM 376 CB GLU A 24 -0.532 5.905 -7.260 1.00 19.24 C ATOM 377 CG GLU A 24 -1.646 5.995 -8.331 1.00 27.76 C ATOM 378 CD GLU A 24 -1.588 7.383 -8.980 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.986 8.368 -8.327 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.931 7.475 -10.078 1.00 34.80 O ATOM 0 H GLU A 24 1.038 5.703 -5.647 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.463 4.479 -5.849 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.621 6.762 -6.592 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.435 5.987 -7.756 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.510 5.219 -9.084 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.623 5.830 -7.876 1.00 27.76 H new ATOM 387 N ASN A 25 0.729 2.798 -7.533 1.00 9.43 N ATOM 388 CA ASN A 25 0.963 1.658 -8.298 1.00 10.96 C ATOM 389 C ASN A 25 0.919 0.407 -7.478 1.00 9.68 C ATOM 390 O ASN A 25 0.449 -0.684 -7.942 1.00 9.33 O ATOM 391 CB ASN A 25 2.304 1.901 -9.070 1.00 16.78 C ATOM 392 CG ASN A 25 2.650 0.707 -9.998 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.412 -0.182 -9.613 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.008 0.563 -11.241 1.00 24.70 N ATOM 0 H ASN A 25 1.585 3.222 -7.175 1.00 9.43 H new ATOM 0 HA ASN A 25 0.169 1.492 -9.026 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.224 2.812 -9.662 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.113 2.055 -8.356 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.176 -0.268 -11.809 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.374 1.289 -11.575 1.00 24.70 H new ATOM 401 N VAL A 26 1.384 0.431 -6.209 1.00 6.52 N ATOM 402 CA VAL A 26 1.200 -0.591 -5.154 1.00 5.53 C ATOM 403 C VAL A 26 -0.255 -0.883 -4.761 1.00 4.42 C ATOM 404 O VAL A 26 -0.736 -1.966 -4.618 1.00 3.40 O ATOM 405 CB VAL A 26 1.959 -0.246 -3.907 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.712 -1.209 -2.713 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.497 -0.185 -4.207 1.00 8.12 C ATOM 0 H VAL A 26 1.936 1.220 -5.871 1.00 6.52 H new ATOM 0 HA VAL A 26 1.593 -1.495 -5.618 1.00 5.53 H new ATOM 0 HB VAL A 26 1.579 0.729 -3.601 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.301 -0.883 -1.855 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.654 -1.200 -2.451 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.008 -2.220 -2.994 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.036 0.066 -3.294 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.835 -1.155 -4.573 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.690 0.576 -4.963 1.00 8.12 H new ATOM 417 N LYS A 27 -0.987 0.246 -4.736 1.00 2.64 N ATOM 418 CA LYS A 27 -2.490 0.189 -4.671 1.00 4.14 C ATOM 419 C LYS A 27 -3.102 -0.532 -5.879 1.00 5.58 C ATOM 420 O LYS A 27 -4.123 -1.221 -5.856 1.00 4.11 O ATOM 421 CB LYS A 27 -3.082 1.649 -4.540 1.00 3.97 C ATOM 422 CG LYS A 27 -2.652 2.413 -3.267 1.00 7.45 C ATOM 423 CD LYS A 27 -3.264 3.813 -3.193 1.00 9.02 C ATOM 424 CE LYS A 27 -2.755 4.591 -1.950 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.543 5.732 -1.666 1.00 15.47 N ATOM 0 H LYS A 27 -0.595 1.187 -4.758 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.756 -0.392 -3.788 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.780 2.228 -5.413 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.170 1.587 -4.559 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.948 1.843 -2.387 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.565 2.493 -3.244 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.016 4.368 -4.098 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.351 3.735 -3.155 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.756 3.928 -1.085 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.722 4.898 -2.115 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.929 6.569 -1.594 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.235 5.875 -2.429 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.044 5.592 -0.766 1.00 15.47 H new ATOM 439 N ALA A 28 -2.491 -0.375 -7.072 1.00 6.61 N ATOM 440 CA ALA A 28 -2.910 -1.072 -8.241 1.00 7.74 C ATOM 441 C ALA A 28 -2.676 -2.587 -8.175 1.00 9.17 C ATOM 442 O ALA A 28 -3.455 -3.423 -8.568 1.00 11.45 O ATOM 443 CB ALA A 28 -2.278 -0.591 -9.488 1.00 7.68 C ATOM 0 H ALA A 28 -1.696 0.246 -7.221 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.979 -0.861 -8.266 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.649 -1.172 -10.332 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.521 0.461 -9.637 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.197 -0.706 -9.416 1.00 7.68 H new ATOM 449 N LYS A 29 -1.523 -2.986 -7.584 1.00 8.96 N ATOM 450 CA LYS A 29 -1.161 -4.368 -7.232 1.00 7.90 C ATOM 451 C LYS A 29 -2.034 -5.050 -6.231 1.00 6.92 C ATOM 452 O LYS A 29 -2.452 -6.186 -6.385 1.00 6.87 O ATOM 453 CB LYS A 29 0.276 -4.352 -6.639 1.00 10.28 C ATOM 454 CG LYS A 29 1.380 -3.918 -7.598 1.00 14.94 C ATOM 455 CD LYS A 29 1.788 -4.953 -8.715 1.00 19.69 C ATOM 456 CE LYS A 29 3.159 -4.521 -9.217 1.00 22.63 C ATOM 457 NZ LYS A 29 3.039 -3.368 -10.122 1.00 24.98 N ATOM 0 H LYS A 29 -0.793 -2.320 -7.332 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.268 -4.930 -8.160 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.286 -3.686 -5.776 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.510 -5.352 -6.273 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.065 -2.996 -8.086 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.268 -3.681 -7.012 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.822 -5.966 -8.313 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.060 -4.957 -9.526 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.797 -4.262 -8.372 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.640 -5.350 -9.737 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.735 -3.456 -10.890 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.081 -3.341 -10.525 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.217 -2.491 -9.592 1.00 24.98 H new ATOM 471 N ILE A 30 -2.485 -4.298 -5.191 1.00 4.57 N ATOM 472 CA ILE A 30 -3.595 -4.606 -4.373 1.00 5.58 C ATOM 473 C ILE A 30 -4.862 -4.778 -5.120 1.00 7.26 C ATOM 474 O ILE A 30 -5.579 -5.752 -4.956 1.00 9.46 O ATOM 475 CB ILE A 30 -3.787 -3.575 -3.262 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.491 -3.639 -2.398 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.990 -4.084 -2.416 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.508 -2.616 -1.205 1.00 2.00 C ATOM 0 H ILE A 30 -2.032 -3.425 -4.922 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.352 -5.572 -3.930 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.966 -2.562 -3.622 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.371 -4.648 -2.004 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.627 -3.439 -3.031 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.181 -3.388 -1.600 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.875 -4.154 -3.048 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.757 -5.067 -2.007 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.582 -2.704 -0.637 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.599 -1.603 -1.596 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.355 -2.831 -0.553 1.00 2.00 H new ATOM 490 N GLN A 31 -5.216 -4.000 -6.110 1.00 7.06 N ATOM 491 CA GLN A 31 -6.344 -4.228 -7.018 1.00 8.67 C ATOM 492 C GLN A 31 -6.277 -5.531 -7.791 1.00 10.90 C ATOM 493 O GLN A 31 -7.225 -6.286 -7.965 1.00 9.63 O ATOM 494 CB GLN A 31 -6.560 -3.052 -7.969 1.00 9.12 C ATOM 495 CG GLN A 31 -7.686 -3.279 -8.979 1.00 10.76 C ATOM 496 CD GLN A 31 -7.888 -2.047 -9.917 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.043 -1.618 -10.083 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.812 -1.672 -10.660 1.00 14.76 N ATOM 0 H GLN A 31 -4.708 -3.143 -6.328 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.208 -4.313 -6.359 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.782 -2.159 -7.385 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.633 -2.857 -8.509 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.461 -4.160 -9.581 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.614 -3.485 -8.447 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.893 -2.069 -10.463 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.924 -0.994 -11.414 1.00 14.76 H new ATOM 507 N ASP A 32 -5.096 -5.869 -8.337 1.00 10.93 N ATOM 508 CA ASP A 32 -4.720 -7.108 -9.009 1.00 14.01 C ATOM 509 C ASP A 32 -4.896 -8.345 -8.119 1.00 14.04 C ATOM 510 O ASP A 32 -5.235 -9.392 -8.692 1.00 13.39 O ATOM 511 CB ASP A 32 -3.306 -7.006 -9.610 1.00 18.01 C ATOM 512 CG ASP A 32 -3.104 -8.082 -10.665 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.907 -8.091 -11.662 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.182 -8.960 -10.575 1.00 26.29 O ATOM 0 H ASP A 32 -4.313 -5.215 -8.312 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.415 -7.247 -9.837 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.162 -6.021 -10.053 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.560 -7.114 -8.823 1.00 18.01 H new ATOM 519 N LYS A 33 -4.650 -8.211 -6.783 1.00 14.22 N ATOM 520 CA LYS A 33 -4.900 -9.292 -5.816 1.00 14.00 C ATOM 521 C LYS A 33 -6.319 -9.408 -5.416 1.00 12.37 C ATOM 522 O LYS A 33 -6.937 -10.478 -5.386 1.00 12.17 O ATOM 523 CB LYS A 33 -3.944 -9.099 -4.572 1.00 18.62 C ATOM 524 CG LYS A 33 -2.489 -9.376 -4.917 1.00 24.00 C ATOM 525 CD LYS A 33 -2.070 -10.865 -5.138 1.00 27.61 C ATOM 526 CE LYS A 33 -0.618 -10.902 -5.475 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.066 -12.317 -5.874 1.00 30.06 N ATOM 0 H LYS A 33 -4.278 -7.359 -6.363 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.675 -10.240 -6.304 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.039 -8.080 -4.198 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.258 -9.765 -3.768 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.247 -8.821 -5.823 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.870 -8.968 -4.118 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.266 -11.451 -4.240 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.657 -11.309 -5.942 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.433 -10.211 -6.298 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.052 -10.536 -4.618 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.949 -12.245 -6.091 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.206 -12.979 -5.084 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.575 -12.665 -6.712 1.00 30.06 H new ATOM 541 N GLU A 34 -6.867 -8.330 -4.860 1.00 10.11 N ATOM 542 CA GLU A 34 -8.083 -8.401 -4.117 1.00 10.07 C ATOM 543 C GLU A 34 -9.224 -7.569 -4.757 1.00 9.32 C ATOM 544 O GLU A 34 -10.380 -7.501 -4.245 1.00 11.61 O ATOM 545 CB GLU A 34 -7.900 -7.663 -2.753 1.00 14.77 C ATOM 546 CG GLU A 34 -6.931 -8.363 -1.750 1.00 18.75 C ATOM 547 CD GLU A 34 -7.337 -9.772 -1.386 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.493 -9.888 -0.858 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.522 -10.718 -1.493 1.00 25.19 O ATOM 0 H GLU A 34 -6.467 -7.394 -4.922 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.317 -9.464 -4.057 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.531 -6.656 -2.948 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.876 -7.559 -2.279 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.930 -8.384 -2.182 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.873 -7.766 -0.840 1.00 18.75 H new ATOM 556 N GLY A 35 -8.995 -7.015 -5.911 1.00 7.22 N ATOM 557 CA GLY A 35 -10.042 -6.353 -6.639 1.00 6.29 C ATOM 558 C GLY A 35 -10.391 -4.964 -6.254 1.00 6.93 C ATOM 559 O GLY A 35 -11.399 -4.400 -6.731 1.00 7.41 O ATOM 0 H GLY A 35 -8.086 -7.008 -6.373 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.763 -6.347 -7.693 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.943 -6.960 -6.552 1.00 6.29 H new ATOM 563 N ILE A 36 -9.669 -4.352 -5.313 1.00 5.86 N ATOM 564 CA ILE A 36 -10.047 -3.091 -4.678 1.00 6.07 C ATOM 565 C ILE A 36 -9.516 -1.876 -5.478 1.00 6.36 C ATOM 566 O ILE A 36 -8.318 -1.771 -5.713 1.00 6.18 O ATOM 567 CB ILE A 36 -9.421 -2.950 -3.310 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.868 -4.098 -2.380 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.812 -1.693 -2.600 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.784 -4.315 -1.249 1.00 9.49 C ATOM 0 H ILE A 36 -8.787 -4.728 -4.965 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.136 -3.107 -4.629 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.348 -2.954 -3.501 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.833 -3.862 -1.932 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.998 -5.015 -2.954 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.326 -1.659 -1.625 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.502 -0.830 -3.190 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.894 -1.672 -2.467 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.100 -5.126 -0.593 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.828 -4.570 -1.706 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.676 -3.399 -0.668 1.00 9.49 H new ATOM 582 N PRO A 37 -10.322 -0.949 -5.993 1.00 8.65 N ATOM 583 CA PRO A 37 -9.826 0.160 -6.778 1.00 9.18 C ATOM 584 C PRO A 37 -8.785 1.069 -6.115 1.00 9.85 C ATOM 585 O PRO A 37 -8.802 1.203 -4.874 1.00 8.51 O ATOM 586 CB PRO A 37 -11.045 0.943 -7.192 1.00 11.42 C ATOM 587 CG PRO A 37 -12.127 -0.155 -7.248 1.00 9.27 C ATOM 588 CD PRO A 37 -11.808 -1.131 -6.129 1.00 8.33 C ATOM 0 HA PRO A 37 -9.262 -0.253 -7.614 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.292 1.723 -6.472 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.908 1.431 -8.157 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.121 0.273 -7.118 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.120 -0.658 -8.215 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.338 -0.888 -5.208 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.074 -2.155 -6.389 1.00 8.33 H new ATOM 596 N PRO A 38 -7.919 1.743 -6.884 1.00 8.71 N ATOM 597 CA PRO A 38 -6.812 2.435 -6.235 1.00 9.08 C ATOM 598 C PRO A 38 -7.197 3.747 -5.512 1.00 9.28 C ATOM 599 O PRO A 38 -6.340 4.339 -4.855 1.00 6.50 O ATOM 600 CB PRO A 38 -5.788 2.669 -7.324 1.00 10.31 C ATOM 601 CG PRO A 38 -6.568 2.573 -8.668 1.00 10.81 C ATOM 602 CD PRO A 38 -7.611 1.497 -8.296 1.00 12.00 C ATOM 0 HA PRO A 38 -6.426 1.820 -5.422 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.317 3.646 -7.214 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.993 1.925 -7.279 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.028 3.520 -8.951 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.932 2.267 -9.498 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.504 1.581 -8.916 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.213 0.493 -8.445 1.00 12.00 H new ATOM 610 N ASP A 39 -8.401 4.311 -5.749 1.00 11.20 N ATOM 611 CA ASP A 39 -8.791 5.536 -5.046 1.00 14.96 C ATOM 612 C ASP A 39 -9.480 5.234 -3.749 1.00 13.99 C ATOM 613 O ASP A 39 -9.879 6.100 -2.970 1.00 13.75 O ATOM 614 CB ASP A 39 -9.741 6.397 -5.980 1.00 24.16 C ATOM 615 CG ASP A 39 -9.077 6.845 -7.249 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.956 7.433 -7.121 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.671 6.607 -8.300 1.00 34.22 O ATOM 0 H ASP A 39 -9.095 3.946 -6.402 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.888 6.100 -4.814 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.625 5.809 -6.228 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.085 7.272 -5.429 1.00 24.16 H new ATOM 622 N GLN A 40 -9.762 3.905 -3.507 1.00 11.60 N ATOM 623 CA GLN A 40 -10.544 3.544 -2.305 1.00 10.76 C ATOM 624 C GLN A 40 -9.628 3.011 -1.224 1.00 8.01 C ATOM 625 O GLN A 40 -10.032 2.196 -0.417 1.00 8.96 O ATOM 626 CB GLN A 40 -11.583 2.463 -2.755 1.00 11.14 C ATOM 627 CG GLN A 40 -12.561 3.032 -3.724 1.00 14.85 C ATOM 628 CD GLN A 40 -13.564 2.000 -4.236 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.674 0.870 -3.762 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.348 2.370 -5.218 1.00 18.16 N ATOM 0 H GLN A 40 -9.473 3.124 -4.097 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.055 4.411 -1.886 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.062 1.621 -3.211 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.112 2.077 -1.884 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.101 3.850 -3.248 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.021 3.456 -4.570 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.261 3.306 -5.615 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.045 1.723 -5.586 1.00 18.16 H new ATOM 639 N GLN A 41 -8.310 3.256 -1.225 1.00 6.52 N ATOM 640 CA GLN A 41 -7.373 2.665 -0.324 1.00 3.87 C ATOM 641 C GLN A 41 -6.397 3.661 0.282 1.00 4.79 C ATOM 642 O GLN A 41 -5.667 4.359 -0.442 1.00 6.34 O ATOM 643 CB GLN A 41 -6.474 1.645 -1.107 1.00 4.20 C ATOM 644 CG GLN A 41 -7.154 0.367 -1.777 1.00 3.20 C ATOM 645 CD GLN A 41 -6.081 -0.326 -2.613 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.916 -0.442 -2.161 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.455 -0.707 -3.892 1.00 7.13 N ATOM 0 H GLN A 41 -7.875 3.898 -1.887 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.975 2.214 0.464 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.962 2.196 -1.896 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.708 1.287 -0.419 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.543 -0.307 -1.014 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.998 0.662 -2.401 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.420 -0.586 -4.198 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.765 -1.109 -4.527 1.00 7.13 H new ATOM 656 N ARG A 42 -6.202 3.647 1.586 1.00 5.73 N ATOM 657 CA ARG A 42 -5.085 4.240 2.349 1.00 6.97 C ATOM 658 C ARG A 42 -4.037 3.197 2.645 1.00 7.15 C ATOM 659 O ARG A 42 -4.344 2.130 3.145 1.00 7.33 O ATOM 660 CB ARG A 42 -5.589 4.830 3.708 1.00 13.23 C ATOM 661 CG ARG A 42 -6.688 5.922 3.560 1.00 21.27 C ATOM 662 CD ARG A 42 -7.463 6.035 4.910 1.00 26.14 C ATOM 663 NE ARG A 42 -8.439 7.159 4.724 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.557 7.221 5.437 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.837 6.502 6.543 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.538 8.022 5.001 1.00 36.39 N ATOM 0 H ARG A 42 -6.869 3.185 2.205 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.659 5.037 1.739 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.980 4.018 4.321 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.740 5.255 4.244 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.237 6.880 3.301 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.372 5.663 2.752 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.978 5.104 5.145 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.782 6.240 5.736 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.240 7.888 4.038 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.155 5.834 6.903 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.731 6.626 7.019 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.413 8.561 4.144 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.410 8.092 5.526 1.00 36.39 H new ATOM 680 N LEU A 43 -2.753 3.556 2.535 1.00 4.65 N ATOM 681 CA LEU A 43 -1.633 2.736 2.938 1.00 3.51 C ATOM 682 C LEU A 43 -0.828 3.358 4.024 1.00 5.56 C ATOM 683 O LEU A 43 -0.432 4.502 3.974 1.00 4.19 O ATOM 684 CB LEU A 43 -0.700 2.294 1.717 1.00 3.74 C ATOM 685 CG LEU A 43 -1.310 1.199 0.828 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.305 0.699 -0.205 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.799 -0.049 1.518 1.00 6.41 C ATOM 0 H LEU A 43 -2.469 4.456 2.149 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.081 1.827 3.339 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.485 3.168 1.103 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.252 1.939 2.111 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.170 1.720 0.406 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.768 -0.075 -0.818 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.006 1.528 -0.841 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.566 0.286 0.305 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.205 -0.739 0.778 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.969 -0.525 2.041 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.577 0.213 2.235 1.00 6.41 H new ATOM 699 N ILE A 44 -0.666 2.508 5.066 1.00 4.58 N ATOM 700 CA ILE A 44 -0.023 2.855 6.322 1.00 5.55 C ATOM 701 C ILE A 44 1.233 2.132 6.650 1.00 5.46 C ATOM 702 O ILE A 44 1.219 0.865 6.718 1.00 6.04 O ATOM 703 CB ILE A 44 -1.002 2.728 7.470 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.488 3.328 7.173 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.479 3.372 8.737 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.514 4.826 6.827 1.00 13.90 C ATOM 0 H ILE A 44 -0.993 1.542 5.039 1.00 4.58 H new ATOM 0 HA ILE A 44 0.289 3.889 6.176 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.101 1.650 7.598 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.933 2.770 6.349 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.116 3.159 8.048 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.214 3.257 9.534 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.454 2.891 9.031 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.300 4.432 8.559 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.542 5.140 6.645 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.102 5.399 7.658 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.917 5.003 5.933 1.00 13.90 H new ATOM 718 N PHE A 45 2.339 2.868 6.858 1.00 6.75 N ATOM 719 CA PHE A 45 3.598 2.299 7.106 1.00 4.70 C ATOM 720 C PHE A 45 4.106 2.829 8.434 1.00 6.34 C ATOM 721 O PHE A 45 4.151 4.039 8.593 1.00 5.45 O ATOM 722 CB PHE A 45 4.592 2.553 5.974 1.00 5.51 C ATOM 723 CG PHE A 45 5.995 1.982 6.327 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.230 0.597 6.209 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.047 2.835 6.718 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.537 0.067 6.448 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.308 2.306 7.040 1.00 6.64 C ATOM 728 CZ PHE A 45 8.534 0.945 6.956 1.00 6.84 C ATOM 0 H PHE A 45 2.342 3.888 6.851 1.00 6.75 H new ATOM 0 HA PHE A 45 3.494 1.215 7.156 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.228 2.092 5.055 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.668 3.624 5.785 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.421 -0.065 5.938 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.883 3.901 6.770 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.760 -0.971 6.248 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.104 2.965 7.354 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.482 0.542 7.281 1.00 6.84 H new ATOM 738 N ALA A 46 4.366 1.976 9.382 1.00 6.53 N ATOM 739 CA ALA A 46 4.631 2.220 10.836 1.00 7.15 C ATOM 740 C ALA A 46 3.843 3.412 11.437 1.00 9.00 C ATOM 741 O ALA A 46 4.390 4.386 11.895 1.00 11.15 O ATOM 742 CB ALA A 46 6.158 2.476 11.052 1.00 8.99 C ATOM 0 H ALA A 46 4.410 0.979 9.171 1.00 6.53 H new ATOM 0 HA ALA A 46 4.291 1.323 11.354 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.351 2.654 12.110 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.723 1.605 10.721 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.466 3.348 10.476 1.00 8.99 H new ATOM 748 N GLY A 47 2.479 3.430 11.330 1.00 9.35 N ATOM 749 CA GLY A 47 1.550 4.442 11.816 1.00 11.68 C ATOM 750 C GLY A 47 1.284 5.693 10.936 1.00 11.14 C ATOM 751 O GLY A 47 0.458 6.575 11.181 1.00 13.93 O ATOM 0 H GLY A 47 1.986 2.669 10.862 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.592 3.953 11.994 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.915 4.789 12.783 1.00 11.68 H new ATOM 755 N LYS A 48 2.038 5.801 9.852 1.00 10.47 N ATOM 756 CA LYS A 48 2.156 6.937 8.881 1.00 8.82 C ATOM 757 C LYS A 48 1.662 6.678 7.524 1.00 7.68 C ATOM 758 O LYS A 48 1.943 5.669 6.906 1.00 6.47 O ATOM 759 CB LYS A 48 3.639 7.458 8.785 1.00 9.74 C ATOM 760 CG LYS A 48 4.199 7.894 10.099 1.00 14.14 C ATOM 761 CD LYS A 48 3.719 9.228 10.728 1.00 16.32 C ATOM 762 CE LYS A 48 4.605 9.749 11.855 1.00 20.04 C ATOM 763 NZ LYS A 48 4.324 8.935 13.110 1.00 23.92 N ATOM 0 H LYS A 48 2.652 5.033 9.582 1.00 10.47 H new ATOM 0 HA LYS A 48 1.496 7.694 9.305 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.268 6.668 8.374 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.679 8.293 8.086 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.997 7.102 10.820 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.282 7.956 9.989 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.664 9.985 9.946 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.708 9.092 11.111 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.656 9.667 11.578 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.405 10.805 12.036 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.922 9.279 13.888 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.323 9.036 13.372 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.535 7.933 12.928 1.00 23.92 H new ATOM 777 N GLN A 49 0.761 7.528 7.006 1.00 8.89 N ATOM 778 CA GLN A 49 -0.003 7.357 5.764 1.00 7.18 C ATOM 779 C GLN A 49 0.725 7.815 4.513 1.00 8.23 C ATOM 780 O GLN A 49 0.995 9.006 4.282 1.00 9.70 O ATOM 781 CB GLN A 49 -1.321 8.088 5.843 1.00 11.67 C ATOM 782 CG GLN A 49 -2.226 7.950 4.641 1.00 15.82 C ATOM 783 CD GLN A 49 -3.544 8.601 4.891 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.348 8.168 5.724 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.975 9.651 4.112 1.00 20.67 N ATOM 0 H GLN A 49 0.534 8.406 7.473 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.154 6.281 5.675 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.859 7.732 6.721 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.118 9.147 6.001 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.752 8.402 3.770 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.375 6.895 4.412 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.356 10.051 3.407 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.914 10.029 4.240 1.00 20.67 H new ATOM 794 N LEU A 50 1.068 6.826 3.660 1.00 6.51 N ATOM 795 CA LEU A 50 1.835 6.938 2.406 1.00 7.41 C ATOM 796 C LEU A 50 1.021 7.726 1.403 1.00 8.27 C ATOM 797 O LEU A 50 -0.204 7.727 1.428 1.00 8.34 O ATOM 798 CB LEU A 50 2.234 5.548 1.815 1.00 7.13 C ATOM 799 CG LEU A 50 2.918 4.571 2.754 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.435 3.370 1.969 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.090 5.343 3.478 1.00 9.11 C ATOM 0 H LEU A 50 0.796 5.861 3.845 1.00 6.51 H new ATOM 0 HA LEU A 50 2.768 7.455 2.628 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.332 5.072 1.429 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.894 5.718 0.964 1.00 7.13 H new ATOM 0 HG LEU A 50 2.221 4.190 3.500 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.924 2.674 2.650 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.601 2.870 1.477 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.150 3.706 1.218 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.603 4.667 4.162 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.796 5.712 2.734 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.681 6.184 4.038 1.00 9.11 H new ATOM 813 N GLU A 51 1.749 8.451 0.544 1.00 9.43 N ATOM 814 CA GLU A 51 1.174 9.399 -0.399 1.00 11.90 C ATOM 815 C GLU A 51 1.274 8.912 -1.852 1.00 11.49 C ATOM 816 O GLU A 51 2.287 8.486 -2.326 1.00 9.88 O ATOM 817 CB GLU A 51 1.703 10.852 -0.304 1.00 16.56 C ATOM 818 CG GLU A 51 1.458 11.506 1.068 1.00 26.06 C ATOM 819 CD GLU A 51 1.978 12.878 1.328 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.482 13.852 0.761 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.922 13.038 2.113 1.00 33.44 O ATOM 0 H GLU A 51 2.766 8.390 0.489 1.00 9.43 H new ATOM 0 HA GLU A 51 0.129 9.439 -0.090 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.773 10.855 -0.513 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.225 11.455 -1.076 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.381 11.528 1.232 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.882 10.847 1.825 1.00 26.06 H new ATOM 828 N ASP A 52 0.146 8.959 -2.631 1.00 12.71 N ATOM 829 CA ASP A 52 -0.045 8.341 -3.873 1.00 16.56 C ATOM 830 C ASP A 52 1.048 8.637 -4.985 1.00 15.83 C ATOM 831 O ASP A 52 1.379 7.730 -5.750 1.00 17.21 O ATOM 832 CB ASP A 52 -1.426 8.683 -4.450 1.00 21.05 C ATOM 833 CG ASP A 52 -2.464 7.941 -3.746 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.862 8.206 -2.599 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.960 6.925 -4.292 1.00 25.82 O ATOM 0 H ASP A 52 -0.679 9.481 -2.336 1.00 12.71 H new ATOM 0 HA ASP A 52 0.048 7.281 -3.637 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.610 9.754 -4.361 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.454 8.442 -5.513 1.00 21.05 H new ATOM 840 N GLY A 53 1.538 9.877 -5.148 1.00 15.00 N ATOM 841 CA GLY A 53 2.517 10.351 -6.075 1.00 11.77 C ATOM 842 C GLY A 53 3.914 10.141 -5.583 1.00 11.10 C ATOM 843 O GLY A 53 4.893 10.567 -6.209 1.00 11.25 O ATOM 0 H GLY A 53 1.205 10.638 -4.556 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.389 9.839 -7.029 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.355 11.413 -6.260 1.00 11.77 H new ATOM 847 N ARG A 54 4.143 9.460 -4.432 1.00 8.53 N ATOM 848 CA ARG A 54 5.462 9.216 -3.960 1.00 9.05 C ATOM 849 C ARG A 54 5.827 7.784 -4.341 1.00 8.96 C ATOM 850 O ARG A 54 4.982 6.953 -4.647 1.00 11.60 O ATOM 851 CB ARG A 54 5.678 9.560 -2.498 1.00 7.97 C ATOM 852 CG ARG A 54 5.188 10.975 -2.057 1.00 9.62 C ATOM 853 CD ARG A 54 5.944 12.042 -2.846 1.00 12.20 C ATOM 854 NE ARG A 54 5.801 13.402 -2.152 1.00 18.23 N ATOM 855 CZ ARG A 54 6.045 14.547 -2.801 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.462 14.598 -4.040 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.888 15.698 -2.180 1.00 23.38 N ATOM 0 H ARG A 54 3.406 9.083 -3.837 1.00 8.53 H new ATOM 0 HA ARG A 54 6.156 9.902 -4.445 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.169 8.813 -1.889 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.743 9.479 -2.278 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.116 11.071 -2.229 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.353 11.112 -0.988 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.997 11.772 -2.923 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.555 12.100 -3.862 1.00 12.20 H new ATOM 0 HE ARG A 54 5.514 13.435 -1.174 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.617 13.735 -4.562 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.632 15.500 -4.484 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.581 15.715 -1.207 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.073 16.572 -2.672 1.00 23.38 H new ATOM 871 N THR A 55 7.135 7.429 -4.132 1.00 9.05 N ATOM 872 CA THR A 55 7.712 6.136 -4.474 1.00 9.03 C ATOM 873 C THR A 55 8.047 5.400 -3.166 1.00 8.15 C ATOM 874 O THR A 55 8.169 6.011 -2.091 1.00 5.91 O ATOM 875 CB THR A 55 9.039 6.071 -5.371 1.00 11.15 C ATOM 876 OG1 THR A 55 10.165 6.718 -4.845 1.00 11.95 O ATOM 877 CG2 THR A 55 8.704 6.627 -6.772 1.00 11.71 C ATOM 0 H THR A 55 7.811 8.066 -3.711 1.00 9.05 H new ATOM 0 HA THR A 55 6.937 5.696 -5.102 1.00 9.03 H new ATOM 0 HB THR A 55 9.332 5.022 -5.405 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.920 7.625 -4.565 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.594 6.592 -7.400 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.917 6.023 -7.224 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.364 7.659 -6.682 1.00 11.71 H new ATOM 885 N LEU A 56 8.231 4.088 -3.223 1.00 6.91 N ATOM 886 CA LEU A 56 8.558 3.243 -2.138 1.00 8.29 C ATOM 887 C LEU A 56 9.954 3.580 -1.644 1.00 8.05 C ATOM 888 O LEU A 56 10.235 3.436 -0.463 1.00 10.17 O ATOM 889 CB LEU A 56 8.569 1.684 -2.494 1.00 6.60 C ATOM 890 CG LEU A 56 7.146 1.275 -2.795 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.180 -0.013 -3.658 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.343 1.095 -1.463 1.00 8.64 C ATOM 0 H LEU A 56 8.144 3.574 -4.100 1.00 6.91 H new ATOM 0 HA LEU A 56 7.781 3.417 -1.394 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.213 1.492 -3.352 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.966 1.104 -1.661 1.00 6.60 H new ATOM 0 HG LEU A 56 6.629 2.049 -3.361 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.161 -0.325 -3.886 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.715 0.185 -4.586 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.688 -0.806 -3.109 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.319 0.800 -1.692 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.815 0.323 -0.855 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.335 2.036 -0.913 1.00 8.64 H new ATOM 904 N SER A 57 10.918 4.003 -2.507 1.00 8.92 N ATOM 905 CA SER A 57 12.237 4.410 -2.093 1.00 9.00 C ATOM 906 C SER A 57 12.249 5.716 -1.284 1.00 9.44 C ATOM 907 O SER A 57 13.115 5.950 -0.430 1.00 10.91 O ATOM 908 CB SER A 57 13.266 4.692 -3.331 1.00 10.32 C ATOM 909 OG SER A 57 12.870 5.669 -4.236 1.00 13.59 O ATOM 0 H SER A 57 10.773 4.062 -3.515 1.00 8.92 H new ATOM 0 HA SER A 57 12.557 3.556 -1.495 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.233 4.978 -2.917 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.415 3.759 -3.875 1.00 10.32 H new ATOM 0 HG SER A 57 11.899 5.791 -4.182 1.00 13.59 H new ATOM 915 N ASP A 58 11.267 6.644 -1.477 1.00 9.11 N ATOM 916 CA ASP A 58 11.104 7.860 -0.780 1.00 7.91 C ATOM 917 C ASP A 58 10.913 7.516 0.752 1.00 9.12 C ATOM 918 O ASP A 58 11.497 8.108 1.672 1.00 8.61 O ATOM 919 CB ASP A 58 9.969 8.758 -1.387 1.00 8.41 C ATOM 920 CG ASP A 58 10.319 9.183 -2.828 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.446 9.598 -3.088 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.449 9.059 -3.704 1.00 11.70 O ATOM 0 H ASP A 58 10.542 6.509 -2.182 1.00 9.11 H new ATOM 0 HA ASP A 58 11.994 8.480 -0.887 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.026 8.212 -1.383 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.828 9.643 -0.766 1.00 8.41 H new ATOM 927 N TYR A 59 10.098 6.512 1.112 1.00 7.97 N ATOM 928 CA TYR A 59 9.854 6.009 2.500 1.00 8.45 C ATOM 929 C TYR A 59 10.878 4.935 2.882 1.00 10.98 C ATOM 930 O TYR A 59 10.906 4.526 4.041 1.00 12.95 O ATOM 931 CB TYR A 59 8.468 5.337 2.623 1.00 7.94 C ATOM 932 CG TYR A 59 7.457 6.289 2.149 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.024 7.285 3.023 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.805 6.236 0.905 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.104 8.236 2.603 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.805 7.158 0.512 1.00 6.52 C ATOM 937 CZ TYR A 59 5.485 8.132 1.390 1.00 6.76 C ATOM 938 OH TYR A 59 4.451 9.037 1.057 1.00 7.63 O ATOM 0 H TYR A 59 9.558 5.994 0.419 1.00 7.97 H new ATOM 0 HA TYR A 59 9.925 6.880 3.152 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.435 4.421 2.033 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.271 5.056 3.658 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.406 7.317 4.033 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.081 5.453 0.214 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.874 9.072 3.246 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.319 7.085 -0.450 1.00 6.52 H new ATOM 0 HH TYR A 59 4.625 9.422 0.173 1.00 7.63 H new ATOM 948 N ASN A 60 11.753 4.547 1.955 1.00 12.38 N ATOM 949 CA ASN A 60 12.898 3.612 2.118 1.00 13.94 C ATOM 950 C ASN A 60 12.442 2.278 2.487 1.00 14.16 C ATOM 951 O ASN A 60 13.038 1.605 3.345 1.00 14.26 O ATOM 952 CB ASN A 60 14.027 4.146 3.030 1.00 19.23 C ATOM 953 CG ASN A 60 14.693 5.319 2.365 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.563 6.463 2.872 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.489 5.180 1.317 1.00 24.09 N ATOM 0 H ASN A 60 11.688 4.894 0.998 1.00 12.38 H new ATOM 0 HA ASN A 60 13.369 3.534 1.138 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.619 4.445 3.996 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.757 3.360 3.222 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.980 5.990 0.939 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.611 4.263 0.888 1.00 24.09 H new ATOM 962 N ILE A 61 11.256 1.900 1.970 1.00 11.08 N ATOM 963 CA ILE A 61 10.621 0.647 2.213 1.00 11.78 C ATOM 964 C ILE A 61 11.410 -0.419 1.485 1.00 13.74 C ATOM 965 O ILE A 61 11.694 -0.268 0.263 1.00 14.60 O ATOM 966 CB ILE A 61 9.158 0.664 1.754 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.387 1.479 2.748 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.516 -0.707 1.522 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.135 1.988 2.067 1.00 11.42 C ATOM 0 H ILE A 61 10.716 2.504 1.350 1.00 11.08 H new ATOM 0 HA ILE A 61 10.607 0.438 3.283 1.00 11.78 H new ATOM 0 HB ILE A 61 9.133 1.109 0.759 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.129 0.875 3.617 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.991 2.312 3.107 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.483 -0.575 1.201 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.070 -1.243 0.751 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.537 -1.280 2.449 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.555 2.585 2.771 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.411 2.603 1.210 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.536 1.143 1.729 1.00 11.42 H new ATOM 981 N GLN A 62 11.708 -1.546 2.136 1.00 13.97 N ATOM 982 CA GLN A 62 12.684 -2.508 1.701 1.00 15.52 C ATOM 983 C GLN A 62 12.138 -3.919 1.859 1.00 13.94 C ATOM 984 O GLN A 62 11.058 -4.069 2.401 1.00 12.15 O ATOM 985 CB GLN A 62 14.002 -2.470 2.556 1.00 19.53 C ATOM 986 CG GLN A 62 14.707 -1.122 2.484 1.00 26.38 C ATOM 987 CD GLN A 62 16.172 -1.159 2.865 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.628 -0.281 3.597 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.950 -1.993 2.143 1.00 32.71 N ATOM 0 H GLN A 62 11.252 -1.809 3.010 1.00 13.97 H new ATOM 0 HA GLN A 62 12.901 -2.252 0.664 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.763 -2.696 3.595 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.680 -3.250 2.208 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.618 -0.733 1.470 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.191 -0.421 3.140 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.522 -2.705 1.551 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.966 -1.911 2.190 1.00 32.71 H new ATOM 998 N LYS A 63 12.837 -4.933 1.445 1.00 11.73 N ATOM 999 CA LYS A 63 12.297 -6.273 1.461 1.00 11.97 C ATOM 1000 C LYS A 63 11.799 -6.839 2.807 1.00 10.41 C ATOM 1001 O LYS A 63 12.451 -6.676 3.866 1.00 9.59 O ATOM 1002 CB LYS A 63 13.319 -7.253 0.713 1.00 13.73 C ATOM 1003 CG LYS A 63 14.473 -7.735 1.583 1.00 16.98 C ATOM 1004 CD LYS A 63 15.560 -8.525 0.733 1.00 20.19 C ATOM 1005 CE LYS A 63 16.819 -8.956 1.556 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.450 -9.797 2.701 1.00 25.97 N ATOM 0 H LYS A 63 13.790 -4.864 1.088 1.00 11.73 H new ATOM 0 HA LYS A 63 11.353 -6.203 0.921 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.770 -8.120 0.345 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.726 -6.739 -0.158 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.943 -6.881 2.070 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.089 -8.381 2.372 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.096 -9.414 0.305 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.880 -7.900 -0.100 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.508 -9.500 0.910 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.346 -8.069 1.909 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.309 -10.079 3.215 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.825 -9.262 3.337 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.954 -10.646 2.362 1.00 25.97 H new ATOM 1020 N GLU A 64 10.597 -7.424 2.838 1.00 10.04 N ATOM 1021 CA GLU A 64 9.893 -8.025 3.886 1.00 10.94 C ATOM 1022 C GLU A 64 9.154 -7.002 4.774 1.00 9.74 C ATOM 1023 O GLU A 64 8.596 -7.318 5.828 1.00 9.42 O ATOM 1024 CB GLU A 64 10.641 -9.149 4.602 1.00 18.31 C ATOM 1025 CG GLU A 64 11.151 -10.247 3.638 1.00 24.16 C ATOM 1026 CD GLU A 64 11.356 -11.623 4.267 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.337 -12.267 4.586 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.500 -12.141 4.187 1.00 31.72 O ATOM 0 H GLU A 64 10.048 -7.472 1.980 1.00 10.04 H new ATOM 0 HA GLU A 64 9.083 -8.588 3.422 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.488 -8.727 5.143 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.982 -9.602 5.343 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.442 -10.343 2.816 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.097 -9.918 3.207 1.00 24.16 H new ATOM 1035 N SER A 65 9.145 -5.722 4.311 1.00 6.85 N ATOM 1036 CA SER A 65 8.292 -4.707 4.978 1.00 6.90 C ATOM 1037 C SER A 65 6.784 -4.968 5.065 1.00 4.72 C ATOM 1038 O SER A 65 6.110 -5.462 4.140 1.00 3.91 O ATOM 1039 CB SER A 65 8.465 -3.370 4.272 1.00 7.28 C ATOM 1040 OG SER A 65 9.775 -2.846 4.534 1.00 10.56 O ATOM 0 H SER A 65 9.690 -5.383 3.519 1.00 6.85 H new ATOM 0 HA SER A 65 8.647 -4.736 6.008 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.321 -3.494 3.199 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.707 -2.666 4.616 1.00 7.28 H new ATOM 0 HG SER A 65 10.424 -3.277 3.940 1.00 10.56 H new ATOM 1046 N THR A 66 6.284 -4.528 6.271 1.00 4.48 N ATOM 1047 CA THR A 66 4.871 -4.663 6.616 1.00 3.80 C ATOM 1048 C THR A 66 4.196 -3.302 6.391 1.00 4.60 C ATOM 1049 O THR A 66 4.590 -2.249 6.884 1.00 5.33 O ATOM 1050 CB THR A 66 4.555 -4.945 8.091 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.143 -6.110 8.553 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.018 -5.109 8.323 1.00 3.40 C ATOM 0 H THR A 66 6.852 -4.086 6.994 1.00 4.48 H new ATOM 0 HA THR A 66 4.532 -5.501 6.006 1.00 3.80 H new ATOM 0 HB THR A 66 4.952 -4.085 8.631 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.912 -6.241 9.496 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.828 -5.308 9.378 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.506 -4.193 8.029 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.646 -5.941 7.725 1.00 3.40 H new ATOM 1060 N LEU A 67 3.139 -3.308 5.595 1.00 4.17 N ATOM 1061 CA LEU A 67 2.332 -2.164 5.230 1.00 3.85 C ATOM 1062 C LEU A 67 0.869 -2.488 5.608 1.00 3.80 C ATOM 1063 O LEU A 67 0.478 -3.624 5.666 1.00 5.54 O ATOM 1064 CB LEU A 67 2.366 -1.919 3.730 1.00 7.18 C ATOM 1065 CG LEU A 67 3.588 -1.131 3.206 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.970 -1.825 3.283 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.348 -0.665 1.735 1.00 11.66 C ATOM 0 H LEU A 67 2.804 -4.168 5.161 1.00 4.17 H new ATOM 0 HA LEU A 67 2.717 -1.283 5.744 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.334 -2.883 3.222 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.461 -1.380 3.448 1.00 7.18 H new ATOM 0 HG LEU A 67 3.653 -0.297 3.905 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.734 -1.159 2.882 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.202 -2.060 4.322 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.948 -2.745 2.699 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.218 -0.112 1.382 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.189 -1.536 1.099 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.469 -0.022 1.696 1.00 11.66 H new ATOM 1079 N HIS A 68 0.114 -1.492 5.891 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.230 -1.722 6.395 1.00 4.17 C ATOM 1081 C HIS A 68 -2.254 -0.949 5.547 1.00 5.32 C ATOM 1082 O HIS A 68 -2.146 0.220 5.220 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.354 -1.282 7.937 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.267 -1.786 8.786 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.069 -1.270 8.756 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.207 -2.830 9.650 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.801 -1.981 9.625 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.074 -2.887 10.204 1.00 16.30 N ATOM 0 H HIS A 68 0.380 -0.512 5.791 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.438 -2.790 6.326 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.372 -0.194 7.994 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.306 -1.638 8.331 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.403 -0.500 8.177 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.018 -3.507 9.873 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.852 -1.822 9.817 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.291 -1.650 5.075 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.321 -1.202 4.168 1.00 3.97 C ATOM 1098 C LEU A 69 -5.556 -0.751 4.973 1.00 5.07 C ATOM 1099 O LEU A 69 -6.117 -1.560 5.738 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.706 -2.413 3.242 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.873 -2.104 2.246 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.523 -1.027 1.239 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.242 -3.366 1.405 1.00 9.96 C ATOM 0 H LEU A 69 -3.431 -2.623 5.348 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.967 -0.363 3.570 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.827 -2.717 2.673 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.990 -3.260 3.867 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.698 -1.775 2.878 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.372 -0.858 0.577 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.283 -0.102 1.764 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.662 -1.345 0.651 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.056 -3.123 0.722 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.372 -3.689 0.833 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.556 -4.169 2.072 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.055 0.454 4.678 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.271 0.946 5.307 1.00 6.26 C ATOM 1117 C VAL A 70 -8.053 1.347 4.102 1.00 9.22 C ATOM 1118 O VAL A 70 -7.516 1.958 3.193 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.163 2.109 6.248 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.546 2.477 6.878 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.177 1.828 7.399 1.00 8.54 C ATOM 0 H VAL A 70 -5.633 1.099 4.010 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.685 0.184 5.968 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.798 2.941 5.646 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.424 3.324 7.553 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.247 2.742 6.087 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.932 1.622 7.434 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.129 2.696 8.057 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.517 0.961 7.966 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.187 1.628 6.989 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.308 0.927 3.980 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.167 1.397 2.925 1.00 16.06 C ATOM 1133 C LEU A 71 -10.653 2.862 3.094 1.00 18.09 C ATOM 1134 O LEU A 71 -10.982 3.338 4.206 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.375 0.520 2.767 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.073 -0.920 2.295 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.364 -1.674 2.029 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.214 -0.879 0.994 1.00 19.57 C ATOM 0 H LEU A 71 -9.746 0.256 4.611 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.538 1.357 2.036 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.899 0.472 3.722 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.054 0.986 2.053 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.521 -1.435 3.081 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.132 -2.686 1.697 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.955 -1.718 2.944 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.933 -1.160 1.254 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.003 -1.897 0.665 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.761 -0.351 0.213 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.276 -0.361 1.193 1.00 19.57 H new