USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 40 GLN : amide:sc= -0.0868 K(o=-0.99,f=-1.7) USER MOD Set 1.2: A 41 ASN : amide:sc= -0.903 X(o=-0.99,f=-0.5) USER MOD Set 2.1: A 22 THR OG1 : rot 174:sc= 1.69 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.601 K(o=2.3,f=1.1) USER MOD Set 3.1: A 7 THR OG1 : rot 147:sc= 1.27 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.936 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.611 (180deg=0.585) USER MOD Single : A 2 GLN : amide:sc= 0.128 K(o=0.13,f=-2.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -93:sc= 0.556 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 0.0152 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -143:sc= 0.72 (180deg=-0.0606) USER MOD Single : A 31 GLN : amide:sc= 0.0978 X(o=0.098,f=-0.023) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.12) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.751 K(o=0.75,f=-4.8!) USER MOD Single : A 55 THR OG1 : rot -89:sc= 1.66 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -161:sc= 0.438 USER MOD Single : A 60 ASN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.8) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 1.32 (180deg=1.15) USER MOD Single : A 65 SER OG : rot 110:sc= 0.218 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.955 -10.652 6.311 1.00 0.00 N ATOM 2 CA MET A 1 -6.887 -11.082 5.375 1.00 0.00 C ATOM 3 C MET A 1 -5.597 -10.338 5.707 1.00 0.00 C ATOM 4 O MET A 1 -5.659 -9.321 6.394 1.00 0.00 O ATOM 5 CB MET A 1 -7.287 -10.838 3.907 1.00 0.00 C ATOM 6 CG MET A 1 -7.614 -9.380 3.553 1.00 0.00 C ATOM 7 SD MET A 1 -7.054 -8.853 1.907 1.00 0.00 S ATOM 8 CE MET A 1 -8.461 -9.304 0.858 1.00 0.00 C ATOM 0 H1 MET A 1 -8.859 -11.079 6.026 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.716 -10.960 7.275 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.039 -9.616 6.289 1.00 0.00 H new ATOM 0 HA MET A 1 -6.734 -12.155 5.494 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.475 -11.178 3.264 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.156 -11.455 3.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.693 -9.238 3.617 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.162 -8.729 4.301 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.245 -9.034 -0.176 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.634 -10.378 0.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.351 -8.772 1.194 1.00 0.00 H new ATOM 20 N GLN A 2 -4.445 -10.778 5.195 1.00 0.00 N ATOM 21 CA GLN A 2 -3.254 -9.945 5.091 1.00 0.00 C ATOM 22 C GLN A 2 -2.881 -9.631 3.631 1.00 0.00 C ATOM 23 O GLN A 2 -3.233 -10.384 2.717 1.00 0.00 O ATOM 24 CB GLN A 2 -2.090 -10.585 5.851 1.00 0.00 C ATOM 25 CG GLN A 2 -1.490 -11.856 5.230 1.00 0.00 C ATOM 26 CD GLN A 2 -2.067 -13.123 5.837 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.220 -13.469 5.621 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.295 -13.803 6.652 1.00 0.00 N ATOM 0 H GLN A 2 -4.316 -11.726 4.841 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.481 -8.985 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.296 -9.844 5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.429 -10.824 6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.674 -11.854 4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.409 -11.849 5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.336 -13.498 6.819 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.654 -14.636 7.118 1.00 0.00 H new ATOM 37 N ILE A 3 -2.110 -8.560 3.443 1.00 0.00 N ATOM 38 CA ILE A 3 -1.452 -8.168 2.184 1.00 0.00 C ATOM 39 C ILE A 3 0.036 -7.880 2.449 1.00 0.00 C ATOM 40 O ILE A 3 0.413 -7.509 3.566 1.00 0.00 O ATOM 41 CB ILE A 3 -2.162 -6.954 1.534 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.026 -5.669 2.390 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.634 -7.291 1.229 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.718 -4.428 1.815 1.00 0.00 C ATOM 0 H ILE A 3 -1.914 -7.905 4.200 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.525 -8.992 1.474 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.662 -6.742 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.434 -5.867 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.967 -5.448 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.118 -6.427 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.679 -8.137 0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.148 -7.548 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.565 -3.583 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.296 -4.196 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.786 -4.622 1.712 1.00 0.00 H new ATOM 56 N PHE A 4 0.874 -8.031 1.421 1.00 0.00 N ATOM 57 CA PHE A 4 2.323 -7.820 1.485 1.00 0.00 C ATOM 58 C PHE A 4 2.788 -6.589 0.690 1.00 0.00 C ATOM 59 O PHE A 4 2.219 -6.287 -0.361 1.00 0.00 O ATOM 60 CB PHE A 4 3.061 -9.071 0.982 1.00 0.00 C ATOM 61 CG PHE A 4 2.756 -10.356 1.729 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.160 -10.514 3.069 1.00 0.00 C ATOM 63 CD2 PHE A 4 2.095 -11.413 1.072 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.900 -11.719 3.746 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.850 -12.621 1.747 1.00 0.00 C ATOM 66 CZ PHE A 4 2.241 -12.771 3.088 1.00 0.00 C ATOM 0 H PHE A 4 0.554 -8.312 0.494 1.00 0.00 H new ATOM 0 HA PHE A 4 2.566 -7.635 2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.817 -9.217 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.134 -8.885 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.670 -9.709 3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.776 -11.294 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.208 -11.836 4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.360 -13.435 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.035 -13.693 3.612 1.00 0.00 H new ATOM 76 N VAL A 5 3.868 -5.925 1.127 1.00 0.00 N ATOM 77 CA VAL A 5 4.570 -4.868 0.366 1.00 0.00 C ATOM 78 C VAL A 5 6.049 -5.186 0.123 1.00 0.00 C ATOM 79 O VAL A 5 6.763 -5.558 1.054 1.00 0.00 O ATOM 80 CB VAL A 5 4.386 -3.452 0.956 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.731 -2.372 -0.080 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.969 -3.184 1.480 1.00 0.00 C ATOM 0 H VAL A 5 4.291 -6.108 2.037 1.00 0.00 H new ATOM 0 HA VAL A 5 4.079 -4.861 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 5 5.072 -3.406 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.592 -1.386 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.769 -2.487 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.077 -2.476 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.914 -2.171 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.253 -3.292 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.732 -3.898 2.269 1.00 0.00 H new ATOM 92 N LYS A 6 6.515 -4.998 -1.119 1.00 0.00 N ATOM 93 CA LYS A 6 7.902 -5.169 -1.569 1.00 0.00 C ATOM 94 C LYS A 6 8.595 -3.831 -1.399 1.00 0.00 C ATOM 95 O LYS A 6 8.280 -2.891 -2.126 1.00 0.00 O ATOM 96 CB LYS A 6 7.875 -5.662 -3.039 1.00 0.00 C ATOM 97 CG LYS A 6 9.061 -5.341 -3.976 1.00 0.00 C ATOM 98 CD LYS A 6 10.077 -6.478 -4.182 1.00 0.00 C ATOM 99 CE LYS A 6 10.938 -6.852 -2.969 1.00 0.00 C ATOM 100 NZ LYS A 6 11.789 -8.027 -3.301 1.00 0.00 N ATOM 0 H LYS A 6 5.900 -4.706 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 6 8.453 -5.912 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.762 -6.746 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.975 -5.257 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.663 -5.053 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.589 -4.474 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.534 -7.367 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.742 -6.198 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.564 -6.007 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.300 -7.082 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.371 -8.278 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.183 -8.833 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.408 -7.792 -4.103 1.00 0.00 H new ATOM 114 N THR A 7 9.517 -3.720 -0.448 1.00 0.00 N ATOM 115 CA THR A 7 10.376 -2.537 -0.328 1.00 0.00 C ATOM 116 C THR A 7 11.555 -2.517 -1.302 1.00 0.00 C ATOM 117 O THR A 7 12.021 -3.554 -1.772 1.00 0.00 O ATOM 118 CB THR A 7 10.866 -2.289 1.115 1.00 0.00 C ATOM 119 OG1 THR A 7 12.003 -3.089 1.356 1.00 0.00 O ATOM 120 CG2 THR A 7 9.851 -2.595 2.211 1.00 0.00 C ATOM 0 H THR A 7 9.692 -4.437 0.256 1.00 0.00 H new ATOM 0 HA THR A 7 9.721 -1.712 -0.609 1.00 0.00 H new ATOM 0 HB THR A 7 11.070 -1.220 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.612 -2.618 1.962 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.294 -2.388 3.185 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.968 -1.971 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.565 -3.645 2.159 1.00 0.00 H new ATOM 128 N LEU A 8 12.095 -1.315 -1.527 1.00 0.00 N ATOM 129 CA LEU A 8 13.381 -1.098 -2.205 1.00 0.00 C ATOM 130 C LEU A 8 14.575 -1.660 -1.399 1.00 0.00 C ATOM 131 O LEU A 8 15.609 -1.977 -1.974 1.00 0.00 O ATOM 132 CB LEU A 8 13.551 0.416 -2.454 1.00 0.00 C ATOM 133 CG LEU A 8 12.499 1.032 -3.400 1.00 0.00 C ATOM 134 CD1 LEU A 8 12.536 2.555 -3.294 1.00 0.00 C ATOM 135 CD2 LEU A 8 12.738 0.646 -4.860 1.00 0.00 C ATOM 0 H LEU A 8 11.643 -0.447 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 8 13.372 -1.639 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.509 0.936 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.543 0.594 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 8 11.528 0.643 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.791 2.985 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.317 2.854 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.526 2.915 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.973 1.103 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.721 0.997 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.691 -0.438 -4.962 1.00 0.00 H new ATOM 147 N THR A 9 14.414 -1.832 -0.081 1.00 0.00 N ATOM 148 CA THR A 9 15.335 -2.554 0.821 1.00 0.00 C ATOM 149 C THR A 9 15.185 -4.085 0.802 1.00 0.00 C ATOM 150 O THR A 9 15.756 -4.772 1.645 1.00 0.00 O ATOM 151 CB THR A 9 15.305 -1.981 2.258 1.00 0.00 C ATOM 152 OG1 THR A 9 14.122 -2.342 2.945 1.00 0.00 O ATOM 153 CG2 THR A 9 15.388 -0.455 2.308 1.00 0.00 C ATOM 0 H THR A 9 13.604 -1.457 0.413 1.00 0.00 H new ATOM 0 HA THR A 9 16.328 -2.371 0.411 1.00 0.00 H new ATOM 0 HB THR A 9 16.187 -2.412 2.733 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.140 -1.963 3.849 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.362 -0.123 3.346 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.318 -0.126 1.845 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.543 -0.027 1.769 1.00 0.00 H new ATOM 161 N GLY A 10 14.421 -4.640 -0.149 1.00 0.00 N ATOM 162 CA GLY A 10 14.267 -6.086 -0.343 1.00 0.00 C ATOM 163 C GLY A 10 13.466 -6.807 0.749 1.00 0.00 C ATOM 164 O GLY A 10 13.450 -8.039 0.781 1.00 0.00 O ATOM 0 H GLY A 10 13.884 -4.086 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.780 -6.258 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.258 -6.537 -0.403 1.00 0.00 H new ATOM 168 N LYS A 11 12.810 -6.069 1.651 1.00 0.00 N ATOM 169 CA LYS A 11 11.966 -6.620 2.719 1.00 0.00 C ATOM 170 C LYS A 11 10.519 -6.861 2.264 1.00 0.00 C ATOM 171 O LYS A 11 10.014 -6.183 1.366 1.00 0.00 O ATOM 172 CB LYS A 11 12.042 -5.716 3.965 1.00 0.00 C ATOM 173 CG LYS A 11 13.383 -5.794 4.722 1.00 0.00 C ATOM 174 CD LYS A 11 13.582 -7.140 5.448 1.00 0.00 C ATOM 175 CE LYS A 11 14.739 -7.109 6.461 1.00 0.00 C ATOM 176 NZ LYS A 11 16.073 -7.088 5.806 1.00 0.00 N ATOM 0 H LYS A 11 12.851 -5.050 1.660 1.00 0.00 H new ATOM 0 HA LYS A 11 12.355 -7.604 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.868 -4.683 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.236 -5.988 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.202 -5.641 4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.432 -4.983 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.660 -7.408 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.772 -7.920 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.637 -6.229 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.671 -7.981 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.816 -7.067 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.185 -7.940 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.152 -6.242 5.206 1.00 0.00 H new ATOM 190 N THR A 12 9.869 -7.817 2.927 1.00 0.00 N ATOM 191 CA THR A 12 8.442 -8.153 2.797 1.00 0.00 C ATOM 192 C THR A 12 7.606 -7.668 3.980 1.00 0.00 C ATOM 193 O THR A 12 7.504 -8.353 4.996 1.00 0.00 O ATOM 194 CB THR A 12 8.206 -9.651 2.517 1.00 0.00 C ATOM 195 OG1 THR A 12 9.156 -10.189 1.621 1.00 0.00 O ATOM 196 CG2 THR A 12 6.827 -9.925 1.921 1.00 0.00 C ATOM 0 H THR A 12 10.344 -8.412 3.606 1.00 0.00 H new ATOM 0 HA THR A 12 8.096 -7.605 1.921 1.00 0.00 H new ATOM 0 HB THR A 12 8.296 -10.127 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.967 -11.140 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.713 -10.994 1.743 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.057 -9.589 2.615 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.725 -9.388 0.978 1.00 0.00 H new ATOM 204 N ILE A 13 7.030 -6.466 3.881 1.00 0.00 N ATOM 205 CA ILE A 13 6.149 -5.917 4.928 1.00 0.00 C ATOM 206 C ILE A 13 4.812 -6.663 4.893 1.00 0.00 C ATOM 207 O ILE A 13 4.290 -6.881 3.804 1.00 0.00 O ATOM 208 CB ILE A 13 5.920 -4.403 4.732 1.00 0.00 C ATOM 209 CG1 ILE A 13 7.204 -3.611 4.402 1.00 0.00 C ATOM 210 CG2 ILE A 13 5.191 -3.787 5.943 1.00 0.00 C ATOM 211 CD1 ILE A 13 8.290 -3.653 5.488 1.00 0.00 C ATOM 0 H ILE A 13 7.157 -5.846 3.081 1.00 0.00 H new ATOM 0 HA ILE A 13 6.627 -6.054 5.898 1.00 0.00 H new ATOM 0 HB ILE A 13 5.282 -4.317 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.624 -3.999 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.934 -2.571 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.044 -2.720 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.223 -4.271 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.790 -3.934 6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.151 -3.068 5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.895 -3.235 6.414 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.595 -4.686 5.657 1.00 0.00 H new ATOM 223 N THR A 14 4.233 -6.990 6.051 1.00 0.00 N ATOM 224 CA THR A 14 2.873 -7.554 6.182 1.00 0.00 C ATOM 225 C THR A 14 1.874 -6.636 6.879 1.00 0.00 C ATOM 226 O THR A 14 2.224 -6.018 7.883 1.00 0.00 O ATOM 227 CB THR A 14 2.834 -9.003 6.718 1.00 0.00 C ATOM 228 OG1 THR A 14 3.942 -9.727 6.244 1.00 0.00 O ATOM 229 CG2 THR A 14 1.558 -9.750 6.332 1.00 0.00 C ATOM 0 H THR A 14 4.702 -6.870 6.949 1.00 0.00 H new ATOM 0 HA THR A 14 2.527 -7.620 5.150 1.00 0.00 H new ATOM 0 HB THR A 14 2.859 -8.926 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.698 -10.194 5.417 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.591 -10.761 6.738 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.693 -9.225 6.736 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.479 -9.798 5.246 1.00 0.00 H new ATOM 237 N LEU A 15 0.651 -6.531 6.350 1.00 0.00 N ATOM 238 CA LEU A 15 -0.423 -5.692 6.897 1.00 0.00 C ATOM 239 C LEU A 15 -1.740 -6.476 6.978 1.00 0.00 C ATOM 240 O LEU A 15 -2.182 -7.062 5.991 1.00 0.00 O ATOM 241 CB LEU A 15 -0.625 -4.457 6.003 1.00 0.00 C ATOM 242 CG LEU A 15 0.462 -3.393 6.191 1.00 0.00 C ATOM 243 CD1 LEU A 15 0.514 -2.484 4.964 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.192 -2.530 7.424 1.00 0.00 C ATOM 0 H LEU A 15 0.373 -7.038 5.510 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.135 -5.381 7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.641 -4.770 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.598 -4.015 6.218 1.00 0.00 H new ATOM 0 HG LEU A 15 1.412 -3.911 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.288 -1.729 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.742 -3.079 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.451 -1.994 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.982 -1.786 7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.768 -2.027 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.170 -3.161 8.312 1.00 0.00 H new ATOM 256 N GLU A 16 -2.378 -6.459 8.140 1.00 0.00 N ATOM 257 CA GLU A 16 -3.708 -7.026 8.384 1.00 0.00 C ATOM 258 C GLU A 16 -4.801 -6.015 7.977 1.00 0.00 C ATOM 259 O GLU A 16 -4.785 -4.849 8.384 1.00 0.00 O ATOM 260 CB GLU A 16 -3.837 -7.418 9.874 1.00 0.00 C ATOM 261 CG GLU A 16 -2.708 -8.293 10.427 1.00 0.00 C ATOM 262 CD GLU A 16 -1.461 -7.476 10.826 1.00 0.00 C ATOM 263 OE1 GLU A 16 -1.374 -6.217 10.665 1.00 0.00 O ATOM 264 OE2 GLU A 16 -0.540 -8.107 11.386 1.00 0.00 O ATOM 0 H GLU A 16 -1.972 -6.035 8.974 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.839 -7.922 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.890 -6.506 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.782 -7.944 10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.071 -8.841 11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.428 -9.033 9.678 1.00 0.00 H new ATOM 271 N VAL A 17 -5.762 -6.465 7.167 1.00 0.00 N ATOM 272 CA VAL A 17 -6.825 -5.626 6.584 1.00 0.00 C ATOM 273 C VAL A 17 -8.134 -6.415 6.454 1.00 0.00 C ATOM 274 O VAL A 17 -8.171 -7.646 6.300 1.00 0.00 O ATOM 275 CB VAL A 17 -6.407 -5.007 5.224 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.273 -3.985 5.354 1.00 0.00 C ATOM 277 CG2 VAL A 17 -5.990 -6.050 4.185 1.00 0.00 C ATOM 0 H VAL A 17 -5.829 -7.444 6.889 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.991 -4.796 7.270 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.311 -4.504 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.026 -3.588 4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.590 -3.170 6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.394 -4.469 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.710 -5.549 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.139 -6.618 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.823 -6.727 3.994 1.00 0.00 H new ATOM 287 N GLU A 18 -9.234 -5.675 6.518 1.00 0.00 N ATOM 288 CA GLU A 18 -10.580 -6.161 6.197 1.00 0.00 C ATOM 289 C GLU A 18 -10.798 -6.091 4.668 1.00 0.00 C ATOM 290 O GLU A 18 -10.332 -5.141 4.048 1.00 0.00 O ATOM 291 CB GLU A 18 -11.647 -5.352 6.973 1.00 0.00 C ATOM 292 CG GLU A 18 -11.459 -5.506 8.497 1.00 0.00 C ATOM 293 CD GLU A 18 -12.487 -4.771 9.380 1.00 0.00 C ATOM 294 OE1 GLU A 18 -13.427 -4.116 8.874 1.00 0.00 O ATOM 295 OE2 GLU A 18 -12.325 -4.862 10.625 1.00 0.00 O ATOM 0 H GLU A 18 -9.220 -4.695 6.801 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.681 -7.201 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.580 -4.299 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.643 -5.692 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.492 -6.568 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.463 -5.149 8.759 1.00 0.00 H new ATOM 302 N PRO A 19 -11.500 -7.038 4.012 1.00 0.00 N ATOM 303 CA PRO A 19 -11.785 -6.934 2.570 1.00 0.00 C ATOM 304 C PRO A 19 -12.628 -5.696 2.204 1.00 0.00 C ATOM 305 O PRO A 19 -12.605 -5.268 1.052 1.00 0.00 O ATOM 306 CB PRO A 19 -12.498 -8.244 2.222 1.00 0.00 C ATOM 307 CG PRO A 19 -13.170 -8.651 3.535 1.00 0.00 C ATOM 308 CD PRO A 19 -12.172 -8.191 4.595 1.00 0.00 C ATOM 0 HA PRO A 19 -10.869 -6.796 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.228 -8.103 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.795 -9.004 1.879 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.139 -8.168 3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.342 -9.726 3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.678 -7.924 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.461 -8.981 4.836 1.00 0.00 H new ATOM 316 N SER A 20 -13.334 -5.120 3.182 1.00 0.00 N ATOM 317 CA SER A 20 -14.057 -3.850 3.077 1.00 0.00 C ATOM 318 C SER A 20 -13.182 -2.602 3.298 1.00 0.00 C ATOM 319 O SER A 20 -13.694 -1.501 3.110 1.00 0.00 O ATOM 320 CB SER A 20 -15.206 -3.832 4.096 1.00 0.00 C ATOM 321 OG SER A 20 -16.073 -4.938 3.906 1.00 0.00 O ATOM 0 H SER A 20 -13.420 -5.544 4.106 1.00 0.00 H new ATOM 0 HA SER A 20 -14.423 -3.798 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.800 -3.854 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.769 -2.904 3.998 1.00 0.00 H new ATOM 0 HG SER A 20 -16.795 -4.905 4.568 1.00 0.00 H new ATOM 327 N ASP A 21 -11.902 -2.733 3.695 1.00 0.00 N ATOM 328 CA ASP A 21 -10.981 -1.593 3.794 1.00 0.00 C ATOM 329 C ASP A 21 -10.899 -0.753 2.509 1.00 0.00 C ATOM 330 O ASP A 21 -10.589 -1.252 1.419 1.00 0.00 O ATOM 331 CB ASP A 21 -9.579 -1.954 4.347 1.00 0.00 C ATOM 332 CG ASP A 21 -9.428 -1.980 5.879 1.00 0.00 C ATOM 333 OD1 ASP A 21 -9.918 -1.051 6.553 1.00 0.00 O ATOM 334 OD2 ASP A 21 -8.681 -2.827 6.426 1.00 0.00 O ATOM 0 H ASP A 21 -11.483 -3.626 3.954 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.438 -0.954 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.303 -2.935 3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.860 -1.239 3.946 1.00 0.00 H new ATOM 339 N THR A 22 -11.171 0.544 2.640 1.00 0.00 N ATOM 340 CA THR A 22 -10.991 1.515 1.557 1.00 0.00 C ATOM 341 C THR A 22 -9.495 1.812 1.474 1.00 0.00 C ATOM 342 O THR A 22 -8.757 1.722 2.459 1.00 0.00 O ATOM 343 CB THR A 22 -11.752 2.820 1.829 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.686 3.222 3.179 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.227 2.662 1.468 1.00 0.00 C ATOM 0 H THR A 22 -11.524 0.955 3.504 1.00 0.00 H new ATOM 0 HA THR A 22 -11.381 1.102 0.626 1.00 0.00 H new ATOM 0 HB THR A 22 -11.271 3.579 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.105 4.102 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.752 3.596 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.318 2.412 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.665 1.865 2.068 1.00 0.00 H new ATOM 353 N ILE A 23 -9.022 2.216 0.295 1.00 0.00 N ATOM 354 CA ILE A 23 -7.602 2.520 0.066 1.00 0.00 C ATOM 355 C ILE A 23 -7.070 3.576 1.053 1.00 0.00 C ATOM 356 O ILE A 23 -5.920 3.469 1.482 1.00 0.00 O ATOM 357 CB ILE A 23 -7.389 2.892 -1.423 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.584 1.692 -2.380 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.007 3.511 -1.687 1.00 0.00 C ATOM 360 CD1 ILE A 23 -6.835 0.395 -2.042 1.00 0.00 C ATOM 0 H ILE A 23 -9.608 2.343 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.005 1.631 0.269 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.159 3.635 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.649 1.465 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.283 2.005 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.913 3.752 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.897 4.421 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.230 2.800 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.061 -0.362 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.762 0.587 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.149 0.038 -1.061 1.00 0.00 H new ATOM 372 N GLU A 24 -7.896 4.533 1.493 1.00 0.00 N ATOM 373 CA GLU A 24 -7.521 5.488 2.547 1.00 0.00 C ATOM 374 C GLU A 24 -7.182 4.815 3.901 1.00 0.00 C ATOM 375 O GLU A 24 -6.208 5.196 4.553 1.00 0.00 O ATOM 376 CB GLU A 24 -8.605 6.580 2.685 1.00 0.00 C ATOM 377 CG GLU A 24 -9.980 6.126 3.230 1.00 0.00 C ATOM 378 CD GLU A 24 -11.174 6.174 2.251 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.029 6.529 1.056 1.00 0.00 O ATOM 380 OE2 GLU A 24 -12.283 5.792 2.699 1.00 0.00 O ATOM 0 H GLU A 24 -8.840 4.668 1.131 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.591 5.963 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.220 7.361 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.759 7.033 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.880 5.103 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.224 6.746 4.092 1.00 0.00 H new ATOM 387 N ASN A 25 -7.902 3.756 4.290 1.00 0.00 N ATOM 388 CA ASN A 25 -7.642 2.971 5.499 1.00 0.00 C ATOM 389 C ASN A 25 -6.335 2.170 5.398 1.00 0.00 C ATOM 390 O ASN A 25 -5.553 2.126 6.348 1.00 0.00 O ATOM 391 CB ASN A 25 -8.863 2.078 5.792 1.00 0.00 C ATOM 392 CG ASN A 25 -9.903 2.797 6.627 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.707 3.026 7.811 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.029 3.163 6.061 1.00 0.00 N ATOM 0 H ASN A 25 -8.702 3.414 3.758 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.499 3.649 6.340 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.311 1.757 4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.537 1.178 6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.744 3.640 6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.189 2.970 5.072 1.00 0.00 H new ATOM 401 N VAL A 26 -6.036 1.608 4.223 1.00 0.00 N ATOM 402 CA VAL A 26 -4.741 0.963 3.948 1.00 0.00 C ATOM 403 C VAL A 26 -3.561 1.945 3.981 1.00 0.00 C ATOM 404 O VAL A 26 -2.525 1.646 4.583 1.00 0.00 O ATOM 405 CB VAL A 26 -4.767 0.173 2.629 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.558 -0.765 2.518 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.033 -0.680 2.462 1.00 0.00 C ATOM 0 H VAL A 26 -6.682 1.585 3.434 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.581 0.256 4.762 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.744 0.930 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.605 -1.309 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.639 -0.180 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.570 -1.473 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.990 -1.212 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.097 -1.399 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.911 -0.035 2.477 1.00 0.00 H new ATOM 417 N LYS A 27 -3.730 3.151 3.411 1.00 0.00 N ATOM 418 CA LYS A 27 -2.760 4.255 3.550 1.00 0.00 C ATOM 419 C LYS A 27 -2.546 4.685 5.006 1.00 0.00 C ATOM 420 O LYS A 27 -1.465 5.174 5.313 1.00 0.00 O ATOM 421 CB LYS A 27 -3.181 5.503 2.734 1.00 0.00 C ATOM 422 CG LYS A 27 -2.610 5.632 1.310 1.00 0.00 C ATOM 423 CD LYS A 27 -3.461 4.936 0.241 1.00 0.00 C ATOM 424 CE LYS A 27 -3.055 5.333 -1.187 1.00 0.00 C ATOM 425 NZ LYS A 27 -3.531 6.692 -1.561 1.00 0.00 N ATOM 0 H LYS A 27 -4.542 3.389 2.841 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.824 3.854 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.269 5.511 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.890 6.390 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.519 6.689 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.604 5.212 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.368 3.856 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.511 5.184 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.969 5.295 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.458 4.605 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.815 6.697 -2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.346 6.950 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.765 7.380 -1.415 1.00 0.00 H new ATOM 439 N ALA A 28 -3.530 4.508 5.889 1.00 0.00 N ATOM 440 CA ALA A 28 -3.371 4.799 7.317 1.00 0.00 C ATOM 441 C ALA A 28 -2.612 3.676 8.052 1.00 0.00 C ATOM 442 O ALA A 28 -1.583 3.934 8.681 1.00 0.00 O ATOM 443 CB ALA A 28 -4.749 5.074 7.932 1.00 0.00 C ATOM 0 H ALA A 28 -4.456 4.161 5.638 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.756 5.692 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.637 5.291 8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.206 5.929 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.385 4.198 7.806 1.00 0.00 H new ATOM 449 N LYS A 29 -3.067 2.420 7.919 1.00 0.00 N ATOM 450 CA LYS A 29 -2.501 1.248 8.616 1.00 0.00 C ATOM 451 C LYS A 29 -0.989 1.067 8.406 1.00 0.00 C ATOM 452 O LYS A 29 -0.285 0.674 9.336 1.00 0.00 O ATOM 453 CB LYS A 29 -3.273 -0.023 8.204 1.00 0.00 C ATOM 454 CG LYS A 29 -4.691 -0.143 8.807 1.00 0.00 C ATOM 455 CD LYS A 29 -5.429 -1.380 8.249 1.00 0.00 C ATOM 456 CE LYS A 29 -6.590 -1.902 9.121 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.932 -1.380 8.749 1.00 0.00 N ATOM 0 H LYS A 29 -3.853 2.183 7.313 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.623 1.428 9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.352 -0.047 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.692 -0.896 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.623 -0.215 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.263 0.758 8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.820 -1.135 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.706 -2.185 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.610 -2.990 9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.390 -1.643 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.494 -1.223 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.825 -0.481 8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.416 -2.070 8.140 1.00 0.00 H new ATOM 471 N ILE A 30 -0.462 1.403 7.223 1.00 0.00 N ATOM 472 CA ILE A 30 0.978 1.285 6.924 1.00 0.00 C ATOM 473 C ILE A 30 1.865 2.215 7.779 1.00 0.00 C ATOM 474 O ILE A 30 3.028 1.896 8.053 1.00 0.00 O ATOM 475 CB ILE A 30 1.228 1.503 5.414 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.591 0.890 5.024 1.00 0.00 C ATOM 477 CG2 ILE A 30 1.173 2.978 4.990 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.751 0.701 3.511 1.00 0.00 C ATOM 0 H ILE A 30 -1.016 1.763 6.446 1.00 0.00 H new ATOM 0 HA ILE A 30 1.273 0.271 7.195 1.00 0.00 H new ATOM 0 HB ILE A 30 0.418 1.003 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.391 1.533 5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.705 -0.074 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.357 3.056 3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.189 3.386 5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.934 3.541 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.728 0.267 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.971 0.035 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.668 1.667 3.013 1.00 0.00 H new ATOM 490 N GLN A 31 1.347 3.370 8.206 1.00 0.00 N ATOM 491 CA GLN A 31 2.134 4.378 8.923 1.00 0.00 C ATOM 492 C GLN A 31 2.216 4.156 10.436 1.00 0.00 C ATOM 493 O GLN A 31 3.257 4.467 11.007 1.00 0.00 O ATOM 494 CB GLN A 31 1.649 5.792 8.564 1.00 0.00 C ATOM 495 CG GLN A 31 2.262 6.260 7.229 1.00 0.00 C ATOM 496 CD GLN A 31 1.248 6.915 6.300 1.00 0.00 C ATOM 497 OE1 GLN A 31 0.540 7.841 6.652 1.00 0.00 O ATOM 498 NE2 GLN A 31 1.175 6.476 5.064 1.00 0.00 N ATOM 0 H GLN A 31 0.372 3.633 8.065 1.00 0.00 H new ATOM 0 HA GLN A 31 3.163 4.266 8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.561 5.801 8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.922 6.487 9.358 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.067 6.966 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.710 5.405 6.723 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.765 5.701 4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.528 6.910 4.406 1.00 0.00 H new ATOM 507 N ASP A 32 1.196 3.585 11.085 1.00 0.00 N ATOM 508 CA ASP A 32 1.282 3.306 12.536 1.00 0.00 C ATOM 509 C ASP A 32 2.095 2.002 12.754 1.00 0.00 C ATOM 510 O ASP A 32 2.724 1.843 13.800 1.00 0.00 O ATOM 511 CB ASP A 32 -0.150 3.160 13.102 1.00 0.00 C ATOM 512 CG ASP A 32 -0.317 3.613 14.571 1.00 0.00 C ATOM 513 OD1 ASP A 32 0.482 4.442 15.067 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.312 3.176 15.200 1.00 0.00 O ATOM 0 H ASP A 32 0.317 3.309 10.647 1.00 0.00 H new ATOM 0 HA ASP A 32 1.785 4.122 13.054 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.832 3.738 12.479 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.452 2.116 13.022 1.00 0.00 H new ATOM 519 N LYS A 33 2.114 1.072 11.776 1.00 0.00 N ATOM 520 CA LYS A 33 2.788 -0.238 11.907 1.00 0.00 C ATOM 521 C LYS A 33 4.299 -0.204 11.625 1.00 0.00 C ATOM 522 O LYS A 33 5.058 -0.816 12.367 1.00 0.00 O ATOM 523 CB LYS A 33 2.080 -1.276 11.016 1.00 0.00 C ATOM 524 CG LYS A 33 2.300 -2.708 11.540 1.00 0.00 C ATOM 525 CD LYS A 33 1.713 -3.761 10.588 1.00 0.00 C ATOM 526 CE LYS A 33 1.968 -5.185 11.091 1.00 0.00 C ATOM 527 NZ LYS A 33 0.943 -5.637 12.055 1.00 0.00 N ATOM 0 H LYS A 33 1.662 1.208 10.872 1.00 0.00 H new ATOM 0 HA LYS A 33 2.705 -0.526 12.955 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.012 -1.060 10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.455 -1.198 9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.367 -2.888 11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.840 -2.810 12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.640 -3.599 10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.152 -3.641 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.990 -5.868 10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.950 -5.230 11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.188 -6.586 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.903 -4.974 12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.016 -5.670 11.586 1.00 0.00 H new ATOM 541 N GLU A 34 4.724 0.473 10.553 1.00 0.00 N ATOM 542 CA GLU A 34 6.143 0.576 10.134 1.00 0.00 C ATOM 543 C GLU A 34 6.613 2.022 9.894 1.00 0.00 C ATOM 544 O GLU A 34 7.760 2.356 10.197 1.00 0.00 O ATOM 545 CB GLU A 34 6.372 -0.290 8.876 1.00 0.00 C ATOM 546 CG GLU A 34 7.730 -0.126 8.162 1.00 0.00 C ATOM 547 CD GLU A 34 8.982 -0.377 9.020 1.00 0.00 C ATOM 548 OE1 GLU A 34 8.910 -1.096 10.039 1.00 0.00 O ATOM 549 OE2 GLU A 34 10.057 0.169 8.666 1.00 0.00 O ATOM 0 H GLU A 34 4.087 0.977 9.935 1.00 0.00 H new ATOM 0 HA GLU A 34 6.748 0.204 10.961 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.260 -1.337 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.581 -0.066 8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.755 -0.808 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.786 0.886 7.761 1.00 0.00 H new ATOM 556 N GLY A 35 5.738 2.884 9.361 1.00 0.00 N ATOM 557 CA GLY A 35 6.066 4.285 9.073 1.00 0.00 C ATOM 558 C GLY A 35 6.518 4.550 7.633 1.00 0.00 C ATOM 559 O GLY A 35 7.582 5.127 7.423 1.00 0.00 O ATOM 0 H GLY A 35 4.781 2.629 9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.192 4.900 9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.855 4.607 9.753 1.00 0.00 H new ATOM 563 N ILE A 36 5.714 4.150 6.635 1.00 0.00 N ATOM 564 CA ILE A 36 5.931 4.491 5.208 1.00 0.00 C ATOM 565 C ILE A 36 4.968 5.625 4.760 1.00 0.00 C ATOM 566 O ILE A 36 3.846 5.328 4.335 1.00 0.00 O ATOM 567 CB ILE A 36 5.840 3.214 4.326 1.00 0.00 C ATOM 568 CG1 ILE A 36 6.816 2.120 4.838 1.00 0.00 C ATOM 569 CG2 ILE A 36 6.130 3.523 2.845 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.842 0.817 4.028 1.00 0.00 C ATOM 0 H ILE A 36 4.886 3.575 6.791 1.00 0.00 H new ATOM 0 HA ILE A 36 6.939 4.884 5.078 1.00 0.00 H new ATOM 0 HB ILE A 36 4.818 2.843 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.823 2.536 4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.555 1.880 5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.057 2.606 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.404 4.247 2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.135 3.935 2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.557 0.126 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.850 0.366 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.138 1.033 3.001 1.00 0.00 H new ATOM 582 N PRO A 37 5.337 6.920 4.893 1.00 0.00 N ATOM 583 CA PRO A 37 4.472 8.061 4.566 1.00 0.00 C ATOM 584 C PRO A 37 4.503 8.479 3.076 1.00 0.00 C ATOM 585 O PRO A 37 5.528 8.289 2.404 1.00 0.00 O ATOM 586 CB PRO A 37 4.967 9.203 5.461 1.00 0.00 C ATOM 587 CG PRO A 37 6.468 8.933 5.537 1.00 0.00 C ATOM 588 CD PRO A 37 6.525 7.407 5.587 1.00 0.00 C ATOM 0 HA PRO A 37 3.430 7.795 4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.751 10.180 5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.500 9.179 6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.997 9.331 4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.918 9.385 6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.432 7.038 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.543 7.054 6.618 1.00 0.00 H new ATOM 596 N PRO A 38 3.429 9.133 2.574 1.00 0.00 N ATOM 597 CA PRO A 38 3.298 9.567 1.175 1.00 0.00 C ATOM 598 C PRO A 38 4.293 10.663 0.760 1.00 0.00 C ATOM 599 O PRO A 38 4.726 10.698 -0.390 1.00 0.00 O ATOM 600 CB PRO A 38 1.853 10.057 1.030 1.00 0.00 C ATOM 601 CG PRO A 38 1.487 10.518 2.439 1.00 0.00 C ATOM 602 CD PRO A 38 2.228 9.510 3.314 1.00 0.00 C ATOM 0 HA PRO A 38 3.531 8.734 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.776 10.871 0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.193 9.262 0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.814 11.540 2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.411 10.490 2.609 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.486 9.948 4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.606 8.638 3.516 1.00 0.00 H new ATOM 610 N ASP A 39 4.705 11.532 1.692 1.00 0.00 N ATOM 611 CA ASP A 39 5.643 12.641 1.421 1.00 0.00 C ATOM 612 C ASP A 39 7.056 12.061 1.118 1.00 0.00 C ATOM 613 O ASP A 39 7.907 12.794 0.622 1.00 0.00 O ATOM 614 CB ASP A 39 5.682 13.554 2.674 1.00 0.00 C ATOM 615 CG ASP A 39 6.021 15.042 2.418 1.00 0.00 C ATOM 616 OD1 ASP A 39 5.817 15.538 1.284 1.00 0.00 O ATOM 617 OD2 ASP A 39 6.452 15.720 3.384 1.00 0.00 O ATOM 0 H ASP A 39 4.398 11.489 2.664 1.00 0.00 H new ATOM 0 HA ASP A 39 5.320 13.221 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.711 13.503 3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.416 13.149 3.371 1.00 0.00 H new ATOM 622 N GLN A 40 7.310 10.761 1.359 1.00 0.00 N ATOM 623 CA GLN A 40 8.613 10.093 1.195 1.00 0.00 C ATOM 624 C GLN A 40 8.569 8.907 0.200 1.00 0.00 C ATOM 625 O GLN A 40 9.535 8.687 -0.528 1.00 0.00 O ATOM 626 CB GLN A 40 9.108 9.709 2.603 1.00 0.00 C ATOM 627 CG GLN A 40 10.634 9.509 2.695 1.00 0.00 C ATOM 628 CD GLN A 40 11.089 8.082 2.964 1.00 0.00 C ATOM 629 OE1 GLN A 40 10.405 7.255 3.557 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.292 7.746 2.566 1.00 0.00 N ATOM 0 H GLN A 40 6.584 10.123 1.686 1.00 0.00 H new ATOM 0 HA GLN A 40 9.329 10.772 0.732 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.810 10.486 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.611 8.790 2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.085 9.846 1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.021 10.151 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.873 8.423 2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.647 6.808 2.751 1.00 0.00 H new ATOM 639 N ASN A 41 7.461 8.160 0.111 1.00 0.00 N ATOM 640 CA ASN A 41 7.325 6.950 -0.722 1.00 0.00 C ATOM 641 C ASN A 41 5.847 6.622 -1.079 1.00 0.00 C ATOM 642 O ASN A 41 4.946 7.218 -0.495 1.00 0.00 O ATOM 643 CB ASN A 41 8.068 5.730 -0.102 1.00 0.00 C ATOM 644 CG ASN A 41 8.553 5.717 1.342 1.00 0.00 C ATOM 645 OD1 ASN A 41 9.559 5.091 1.637 1.00 0.00 O ATOM 646 ND2 ASN A 41 7.912 6.352 2.296 1.00 0.00 N ATOM 0 H ASN A 41 6.611 8.383 0.628 1.00 0.00 H new ATOM 0 HA ASN A 41 7.817 7.175 -1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.408 4.871 -0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.942 5.546 -0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.257 6.314 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.069 6.883 2.078 1.00 0.00 H new ATOM 653 N ARG A 42 5.550 5.707 -2.026 1.00 0.00 N ATOM 654 CA ARG A 42 4.182 5.520 -2.573 1.00 0.00 C ATOM 655 C ARG A 42 3.928 4.078 -3.038 1.00 0.00 C ATOM 656 O ARG A 42 4.830 3.412 -3.528 1.00 0.00 O ATOM 657 CB ARG A 42 3.956 6.535 -3.714 1.00 0.00 C ATOM 658 CG ARG A 42 2.470 6.899 -3.898 1.00 0.00 C ATOM 659 CD ARG A 42 2.225 7.863 -5.070 1.00 0.00 C ATOM 660 NE ARG A 42 3.031 9.094 -4.968 1.00 0.00 N ATOM 661 CZ ARG A 42 3.245 9.956 -5.943 1.00 0.00 C ATOM 662 NH1 ARG A 42 2.605 9.914 -7.072 1.00 0.00 N ATOM 663 NH2 ARG A 42 4.105 10.914 -5.802 1.00 0.00 N ATOM 0 H ARG A 42 6.244 5.079 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 42 3.461 5.704 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.525 7.441 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.343 6.121 -4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.896 5.987 -4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.097 7.351 -2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.458 7.357 -6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.168 8.127 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 42 3.460 9.296 -4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.903 9.192 -7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.805 10.603 -7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.625 11.008 -4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.262 11.575 -6.563 1.00 0.00 H new ATOM 677 N LEU A 43 2.702 3.579 -2.870 1.00 0.00 N ATOM 678 CA LEU A 43 2.343 2.173 -3.117 1.00 0.00 C ATOM 679 C LEU A 43 1.847 1.919 -4.551 1.00 0.00 C ATOM 680 O LEU A 43 0.923 2.593 -5.013 1.00 0.00 O ATOM 681 CB LEU A 43 1.273 1.741 -2.094 1.00 0.00 C ATOM 682 CG LEU A 43 1.738 1.778 -0.626 1.00 0.00 C ATOM 683 CD1 LEU A 43 0.536 1.622 0.305 1.00 0.00 C ATOM 684 CD2 LEU A 43 2.741 0.665 -0.330 1.00 0.00 C ATOM 0 H LEU A 43 1.915 4.146 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 43 3.247 1.576 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.403 2.389 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.948 0.728 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 43 2.223 2.739 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.873 1.649 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.167 2.436 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.044 0.669 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.048 0.720 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.277 -0.303 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.614 0.782 -0.972 1.00 0.00 H new ATOM 696 N ILE A 44 2.418 0.907 -5.208 1.00 0.00 N ATOM 697 CA ILE A 44 1.966 0.373 -6.517 1.00 0.00 C ATOM 698 C ILE A 44 1.374 -1.047 -6.387 1.00 0.00 C ATOM 699 O ILE A 44 1.876 -1.870 -5.623 1.00 0.00 O ATOM 700 CB ILE A 44 3.139 0.374 -7.533 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.954 1.686 -7.553 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.683 0.024 -8.962 1.00 0.00 C ATOM 703 CD1 ILE A 44 3.159 2.945 -7.940 1.00 0.00 C ATOM 0 H ILE A 44 3.233 0.414 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 44 1.174 1.027 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 44 3.802 -0.412 -7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.389 1.840 -6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.782 1.570 -8.252 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.543 0.039 -9.632 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.236 -0.970 -8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.948 0.755 -9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.820 3.812 -7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.746 2.821 -8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.347 3.095 -7.229 1.00 0.00 H new ATOM 715 N PHE A 45 0.361 -1.386 -7.193 1.00 0.00 N ATOM 716 CA PHE A 45 -0.122 -2.764 -7.372 1.00 0.00 C ATOM 717 C PHE A 45 -0.207 -3.252 -8.831 1.00 0.00 C ATOM 718 O PHE A 45 -0.922 -2.665 -9.639 1.00 0.00 O ATOM 719 CB PHE A 45 -1.361 -3.044 -6.508 1.00 0.00 C ATOM 720 CG PHE A 45 -2.095 -4.338 -6.816 1.00 0.00 C ATOM 721 CD1 PHE A 45 -1.664 -5.546 -6.232 1.00 0.00 C ATOM 722 CD2 PHE A 45 -3.215 -4.337 -7.669 1.00 0.00 C ATOM 723 CE1 PHE A 45 -2.355 -6.743 -6.492 1.00 0.00 C ATOM 724 CE2 PHE A 45 -3.910 -5.534 -7.922 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.484 -6.736 -7.330 1.00 0.00 C ATOM 0 H PHE A 45 -0.155 -0.703 -7.748 1.00 0.00 H new ATOM 0 HA PHE A 45 0.665 -3.410 -6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.056 -3.060 -5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.059 -2.215 -6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.801 -5.553 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.541 -3.416 -8.130 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.018 -7.668 -6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.772 -5.529 -8.572 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.023 -7.653 -7.519 1.00 0.00 H new ATOM 735 N ALA A 46 0.560 -4.287 -9.195 1.00 0.00 N ATOM 736 CA ALA A 46 0.640 -4.862 -10.552 1.00 0.00 C ATOM 737 C ALA A 46 0.912 -3.861 -11.717 1.00 0.00 C ATOM 738 O ALA A 46 0.670 -4.176 -12.882 1.00 0.00 O ATOM 739 CB ALA A 46 -0.593 -5.754 -10.783 1.00 0.00 C ATOM 0 H ALA A 46 1.166 -4.768 -8.531 1.00 0.00 H new ATOM 0 HA ALA A 46 1.548 -5.464 -10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.547 -6.186 -11.783 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.607 -6.554 -10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.499 -5.155 -10.688 1.00 0.00 H new ATOM 745 N GLY A 47 1.431 -2.666 -11.405 1.00 0.00 N ATOM 746 CA GLY A 47 1.671 -1.571 -12.349 1.00 0.00 C ATOM 747 C GLY A 47 0.601 -0.460 -12.307 1.00 0.00 C ATOM 748 O GLY A 47 0.891 0.653 -12.734 1.00 0.00 O ATOM 0 H GLY A 47 1.705 -2.428 -10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.646 -1.131 -12.139 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.717 -1.979 -13.359 1.00 0.00 H new ATOM 752 N LYS A 48 -0.584 -0.702 -11.736 1.00 0.00 N ATOM 753 CA LYS A 48 -1.558 0.353 -11.413 1.00 0.00 C ATOM 754 C LYS A 48 -1.165 1.067 -10.102 1.00 0.00 C ATOM 755 O LYS A 48 -0.728 0.439 -9.138 1.00 0.00 O ATOM 756 CB LYS A 48 -2.964 -0.275 -11.252 1.00 0.00 C ATOM 757 CG LYS A 48 -3.806 -0.286 -12.540 1.00 0.00 C ATOM 758 CD LYS A 48 -4.485 1.069 -12.850 1.00 0.00 C ATOM 759 CE LYS A 48 -5.732 0.863 -13.751 1.00 0.00 C ATOM 760 NZ LYS A 48 -5.458 0.645 -15.200 1.00 0.00 N ATOM 0 H LYS A 48 -0.898 -1.639 -11.483 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.567 1.082 -12.223 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.853 -1.299 -10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.507 0.273 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.167 -0.563 -13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.573 -1.056 -12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.778 1.556 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.776 1.732 -13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.292 0.007 -13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.378 1.735 -13.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.357 0.519 -15.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.955 1.469 -15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.871 -0.206 -15.318 1.00 0.00 H new ATOM 774 N GLN A 49 -1.340 2.387 -10.049 1.00 0.00 N ATOM 775 CA GLN A 49 -1.330 3.221 -8.830 1.00 0.00 C ATOM 776 C GLN A 49 -2.653 3.015 -8.058 1.00 0.00 C ATOM 777 O GLN A 49 -3.605 2.454 -8.599 1.00 0.00 O ATOM 778 CB GLN A 49 -1.175 4.711 -9.228 1.00 0.00 C ATOM 779 CG GLN A 49 -0.050 5.033 -10.241 1.00 0.00 C ATOM 780 CD GLN A 49 -0.490 5.022 -11.712 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.381 4.299 -12.130 1.00 0.00 O ATOM 782 NE2 GLN A 49 0.136 5.814 -12.557 1.00 0.00 N ATOM 0 H GLN A 49 -1.501 2.938 -10.892 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.495 2.933 -8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.121 5.054 -9.646 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.997 5.291 -8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.362 6.015 -10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.755 4.310 -10.111 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.883 6.425 -12.226 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.126 5.817 -13.543 1.00 0.00 H new ATOM 791 N LEU A 50 -2.720 3.487 -6.810 1.00 0.00 N ATOM 792 CA LEU A 50 -3.863 3.317 -5.898 1.00 0.00 C ATOM 793 C LEU A 50 -4.321 4.671 -5.326 1.00 0.00 C ATOM 794 O LEU A 50 -3.840 5.130 -4.286 1.00 0.00 O ATOM 795 CB LEU A 50 -3.492 2.300 -4.790 1.00 0.00 C ATOM 796 CG LEU A 50 -3.128 0.877 -5.267 1.00 0.00 C ATOM 797 CD1 LEU A 50 -2.689 0.033 -4.069 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.311 0.166 -5.924 1.00 0.00 C ATOM 0 H LEU A 50 -1.956 4.016 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.713 2.917 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.648 2.699 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.331 2.226 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.328 0.983 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.432 -0.971 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.819 0.492 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.503 -0.024 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.005 -0.831 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.129 0.083 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.644 0.738 -6.790 1.00 0.00 H new ATOM 810 N GLU A 51 -5.239 5.325 -6.035 1.00 0.00 N ATOM 811 CA GLU A 51 -5.978 6.517 -5.582 1.00 0.00 C ATOM 812 C GLU A 51 -7.068 6.124 -4.555 1.00 0.00 C ATOM 813 O GLU A 51 -7.514 4.969 -4.542 1.00 0.00 O ATOM 814 CB GLU A 51 -6.556 7.230 -6.830 1.00 0.00 C ATOM 815 CG GLU A 51 -6.753 8.750 -6.640 1.00 0.00 C ATOM 816 CD GLU A 51 -7.232 9.505 -7.901 1.00 0.00 C ATOM 817 OE1 GLU A 51 -7.656 8.852 -8.883 1.00 0.00 O ATOM 818 OE2 GLU A 51 -7.172 10.764 -7.918 1.00 0.00 O ATOM 0 H GLU A 51 -5.503 5.034 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.315 7.210 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.889 7.062 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.514 6.777 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.476 8.911 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.810 9.186 -6.309 1.00 0.00 H new ATOM 825 N ASP A 52 -7.459 7.056 -3.679 1.00 0.00 N ATOM 826 CA ASP A 52 -8.473 6.883 -2.628 1.00 0.00 C ATOM 827 C ASP A 52 -9.933 6.660 -3.089 1.00 0.00 C ATOM 828 O ASP A 52 -10.227 6.618 -4.283 1.00 0.00 O ATOM 829 CB ASP A 52 -8.309 7.902 -1.462 1.00 0.00 C ATOM 830 CG ASP A 52 -8.018 9.383 -1.793 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.362 9.685 -2.812 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.371 10.246 -0.951 1.00 0.00 O ATOM 0 H ASP A 52 -7.060 7.995 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.240 5.901 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.223 7.872 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.502 7.543 -0.823 1.00 0.00 H new ATOM 837 N GLY A 53 -10.870 6.450 -2.153 1.00 0.00 N ATOM 838 CA GLY A 53 -12.310 6.337 -2.442 1.00 0.00 C ATOM 839 C GLY A 53 -12.814 4.970 -2.933 1.00 0.00 C ATOM 840 O GLY A 53 -14.017 4.717 -2.865 1.00 0.00 O ATOM 0 H GLY A 53 -10.648 6.353 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.859 6.596 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.565 7.083 -3.195 1.00 0.00 H new ATOM 844 N ARG A 54 -11.930 4.070 -3.394 1.00 0.00 N ATOM 845 CA ARG A 54 -12.260 2.661 -3.709 1.00 0.00 C ATOM 846 C ARG A 54 -11.863 1.696 -2.575 1.00 0.00 C ATOM 847 O ARG A 54 -11.032 2.041 -1.734 1.00 0.00 O ATOM 848 CB ARG A 54 -11.593 2.237 -5.026 1.00 0.00 C ATOM 849 CG ARG A 54 -11.884 3.129 -6.245 1.00 0.00 C ATOM 850 CD ARG A 54 -11.410 2.416 -7.521 1.00 0.00 C ATOM 851 NE ARG A 54 -11.376 3.323 -8.684 1.00 0.00 N ATOM 852 CZ ARG A 54 -11.718 3.064 -9.933 1.00 0.00 C ATOM 853 NH1 ARG A 54 -12.193 1.912 -10.320 1.00 0.00 N ATOM 854 NH2 ARG A 54 -11.564 4.001 -10.823 1.00 0.00 N ATOM 0 H ARG A 54 -10.950 4.299 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.343 2.603 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.514 2.207 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.910 1.221 -5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.951 3.341 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.374 4.087 -6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.415 2.002 -7.356 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.073 1.578 -7.735 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.046 4.271 -8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.316 1.158 -9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.442 1.765 -11.298 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.187 4.908 -10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.820 3.828 -11.795 1.00 0.00 H new ATOM 868 N THR A 55 -12.412 0.477 -2.571 1.00 0.00 N ATOM 869 CA THR A 55 -11.951 -0.654 -1.733 1.00 0.00 C ATOM 870 C THR A 55 -10.765 -1.452 -2.293 1.00 0.00 C ATOM 871 O THR A 55 -10.385 -1.300 -3.453 1.00 0.00 O ATOM 872 CB THR A 55 -13.102 -1.592 -1.327 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.399 -2.458 -2.398 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.385 -0.895 -0.885 1.00 0.00 C ATOM 0 H THR A 55 -13.208 0.235 -3.161 1.00 0.00 H new ATOM 0 HA THR A 55 -11.567 -0.164 -0.839 1.00 0.00 H new ATOM 0 HB THR A 55 -12.739 -2.131 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.064 -2.039 -2.983 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.133 -1.643 -0.620 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.178 -0.267 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.762 -0.277 -1.700 1.00 0.00 H new ATOM 882 N LEU A 56 -10.202 -2.351 -1.479 1.00 0.00 N ATOM 883 CA LEU A 56 -9.292 -3.411 -1.939 1.00 0.00 C ATOM 884 C LEU A 56 -9.933 -4.288 -3.034 1.00 0.00 C ATOM 885 O LEU A 56 -9.346 -4.476 -4.103 1.00 0.00 O ATOM 886 CB LEU A 56 -8.944 -4.297 -0.733 1.00 0.00 C ATOM 887 CG LEU A 56 -7.980 -3.663 0.284 1.00 0.00 C ATOM 888 CD1 LEU A 56 -7.918 -4.524 1.539 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.561 -3.556 -0.279 1.00 0.00 C ATOM 0 H LEU A 56 -10.365 -2.365 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.404 -2.944 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.867 -4.563 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.504 -5.225 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.355 -2.665 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.234 -4.072 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.912 -4.596 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.563 -5.521 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.907 -3.104 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.193 -4.551 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.571 -2.937 -1.176 1.00 0.00 H new ATOM 901 N SER A 57 -11.149 -4.787 -2.779 1.00 0.00 N ATOM 902 CA SER A 57 -11.921 -5.587 -3.746 1.00 0.00 C ATOM 903 C SER A 57 -12.169 -4.841 -5.066 1.00 0.00 C ATOM 904 O SER A 57 -12.074 -5.446 -6.137 1.00 0.00 O ATOM 905 CB SER A 57 -13.251 -6.012 -3.112 1.00 0.00 C ATOM 906 OG SER A 57 -13.972 -6.862 -3.984 1.00 0.00 O ATOM 0 H SER A 57 -11.631 -4.648 -1.891 1.00 0.00 H new ATOM 0 HA SER A 57 -11.329 -6.468 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.062 -6.526 -2.169 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.848 -5.130 -2.881 1.00 0.00 H new ATOM 0 HG SER A 57 -14.817 -7.124 -3.561 1.00 0.00 H new ATOM 912 N ASP A 58 -12.380 -3.521 -5.021 1.00 0.00 N ATOM 913 CA ASP A 58 -12.512 -2.678 -6.220 1.00 0.00 C ATOM 914 C ASP A 58 -11.286 -2.642 -7.151 1.00 0.00 C ATOM 915 O ASP A 58 -11.426 -2.464 -8.360 1.00 0.00 O ATOM 916 CB ASP A 58 -12.914 -1.249 -5.834 1.00 0.00 C ATOM 917 CG ASP A 58 -14.373 -1.052 -5.434 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.207 -0.798 -6.335 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.641 -1.039 -4.212 1.00 0.00 O ATOM 0 H ASP A 58 -12.465 -3.002 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.298 -3.160 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.284 -0.926 -5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.696 -0.591 -6.675 1.00 0.00 H new ATOM 924 N TYR A 59 -10.087 -2.842 -6.595 1.00 0.00 N ATOM 925 CA TYR A 59 -8.830 -3.014 -7.329 1.00 0.00 C ATOM 926 C TYR A 59 -8.460 -4.464 -7.727 1.00 0.00 C ATOM 927 O TYR A 59 -7.338 -4.722 -8.157 1.00 0.00 O ATOM 928 CB TYR A 59 -7.697 -2.209 -6.660 1.00 0.00 C ATOM 929 CG TYR A 59 -7.713 -0.697 -6.857 1.00 0.00 C ATOM 930 CD1 TYR A 59 -7.147 -0.116 -8.012 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.192 0.138 -5.829 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.038 1.289 -8.125 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.078 1.539 -5.939 1.00 0.00 C ATOM 934 CZ TYR A 59 -7.493 2.118 -7.078 1.00 0.00 C ATOM 935 OH TYR A 59 -7.357 3.473 -7.138 1.00 0.00 O ATOM 0 H TYR A 59 -9.961 -2.890 -5.584 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.999 -2.581 -8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.724 -2.411 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.746 -2.589 -7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.795 -0.748 -8.814 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.649 -0.297 -4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.607 1.728 -9.013 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.443 2.171 -5.143 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.442 3.850 -6.238 1.00 0.00 H new ATOM 945 N ASN A 60 -9.384 -5.423 -7.547 1.00 0.00 N ATOM 946 CA ASN A 60 -9.145 -6.879 -7.636 1.00 0.00 C ATOM 947 C ASN A 60 -8.043 -7.399 -6.669 1.00 0.00 C ATOM 948 O ASN A 60 -7.363 -8.386 -6.964 1.00 0.00 O ATOM 949 CB ASN A 60 -8.959 -7.346 -9.108 1.00 0.00 C ATOM 950 CG ASN A 60 -10.176 -7.315 -10.027 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.051 -7.342 -11.245 1.00 0.00 O ATOM 952 ND2 ASN A 60 -11.392 -7.301 -9.533 1.00 0.00 N ATOM 0 H ASN A 60 -10.355 -5.200 -7.327 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.055 -7.358 -7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.184 -6.727 -9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.580 -8.368 -9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.197 -7.313 -10.159 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.532 -7.279 -8.523 1.00 0.00 H new ATOM 959 N ILE A 61 -7.851 -6.755 -5.511 1.00 0.00 N ATOM 960 CA ILE A 61 -6.834 -7.144 -4.516 1.00 0.00 C ATOM 961 C ILE A 61 -7.362 -8.262 -3.595 1.00 0.00 C ATOM 962 O ILE A 61 -8.458 -8.157 -3.045 1.00 0.00 O ATOM 963 CB ILE A 61 -6.318 -5.914 -3.721 1.00 0.00 C ATOM 964 CG1 ILE A 61 -5.812 -4.811 -4.685 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.193 -6.355 -2.769 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.345 -3.511 -4.021 1.00 0.00 C ATOM 0 H ILE A 61 -8.400 -5.942 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.975 -7.550 -5.050 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.140 -5.498 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.986 -5.216 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.612 -4.572 -5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.830 -5.492 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.576 -7.102 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.374 -6.784 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.012 -2.810 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.170 -3.072 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.519 -3.725 -3.342 1.00 0.00 H new ATOM 978 N GLN A 62 -6.563 -9.317 -3.397 1.00 0.00 N ATOM 979 CA GLN A 62 -6.907 -10.518 -2.614 1.00 0.00 C ATOM 980 C GLN A 62 -5.972 -10.747 -1.409 1.00 0.00 C ATOM 981 O GLN A 62 -4.950 -10.075 -1.259 1.00 0.00 O ATOM 982 CB GLN A 62 -6.976 -11.751 -3.545 1.00 0.00 C ATOM 983 CG GLN A 62 -5.668 -12.133 -4.272 1.00 0.00 C ATOM 984 CD GLN A 62 -5.262 -11.145 -5.362 1.00 0.00 C ATOM 985 OE1 GLN A 62 -4.282 -10.418 -5.246 1.00 0.00 O ATOM 986 NE2 GLN A 62 -6.099 -10.938 -6.353 1.00 0.00 N ATOM 0 H GLN A 62 -5.623 -9.363 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.893 -10.355 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.302 -12.607 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.745 -11.570 -4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.863 -12.204 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.784 -13.122 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.919 -11.535 -6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.929 -10.180 -7.014 1.00 0.00 H new ATOM 995 N LYS A 63 -6.305 -11.723 -0.552 1.00 0.00 N ATOM 996 CA LYS A 63 -5.440 -12.173 0.554 1.00 0.00 C ATOM 997 C LYS A 63 -4.111 -12.706 0.006 1.00 0.00 C ATOM 998 O LYS A 63 -4.081 -13.309 -1.061 1.00 0.00 O ATOM 999 CB LYS A 63 -6.197 -13.197 1.422 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.453 -14.565 0.764 1.00 0.00 C ATOM 1001 CD LYS A 63 -5.391 -15.625 1.104 1.00 0.00 C ATOM 1002 CE LYS A 63 -5.564 -16.858 0.203 1.00 0.00 C ATOM 1003 NZ LYS A 63 -4.666 -17.969 0.613 1.00 0.00 N ATOM 0 H LYS A 63 -7.190 -12.228 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.189 -11.333 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.633 -13.356 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.156 -12.766 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.431 -14.931 1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.491 -14.436 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.393 -15.206 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.479 -15.915 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.600 -17.194 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.356 -16.585 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.551 -18.633 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.737 -17.584 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.080 -18.468 1.426 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.015 -12.464 0.723 1.00 0.00 N ATOM 1018 CA GLU A 64 -1.635 -12.766 0.280 1.00 0.00 C ATOM 1019 C GLU A 64 -1.191 -11.996 -0.998 1.00 0.00 C ATOM 1020 O GLU A 64 -0.208 -12.352 -1.652 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.355 -14.294 0.257 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.329 -14.926 1.666 1.00 0.00 C ATOM 1023 CD GLU A 64 -1.270 -16.464 1.651 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -2.064 -17.104 0.923 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -0.474 -17.067 2.416 1.00 0.00 O ATOM 0 H GLU A 64 -3.052 -12.043 1.651 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.971 -12.361 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.119 -14.788 -0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.399 -14.475 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.466 -14.543 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.217 -14.610 2.213 1.00 0.00 H new ATOM 1032 N SER A 65 -1.886 -10.901 -1.353 1.00 0.00 N ATOM 1033 CA SER A 65 -1.480 -9.968 -2.426 1.00 0.00 C ATOM 1034 C SER A 65 -0.073 -9.382 -2.233 1.00 0.00 C ATOM 1035 O SER A 65 0.385 -9.212 -1.103 1.00 0.00 O ATOM 1036 CB SER A 65 -2.499 -8.826 -2.554 1.00 0.00 C ATOM 1037 OG SER A 65 -2.021 -7.782 -3.390 1.00 0.00 O ATOM 0 H SER A 65 -2.759 -10.633 -0.898 1.00 0.00 H new ATOM 0 HA SER A 65 -1.454 -10.558 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.433 -9.216 -2.958 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.722 -8.426 -1.565 1.00 0.00 H new ATOM 0 HG SER A 65 -2.535 -7.770 -4.224 1.00 0.00 H new ATOM 1043 N THR A 66 0.602 -9.056 -3.342 1.00 0.00 N ATOM 1044 CA THR A 66 1.997 -8.589 -3.399 1.00 0.00 C ATOM 1045 C THR A 66 2.220 -7.204 -4.017 1.00 0.00 C ATOM 1046 O THR A 66 2.626 -7.070 -5.174 1.00 0.00 O ATOM 1047 CB THR A 66 2.965 -9.675 -3.913 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.488 -10.984 -3.655 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.361 -9.552 -3.309 1.00 0.00 C ATOM 0 H THR A 66 0.174 -9.112 -4.266 1.00 0.00 H new ATOM 0 HA THR A 66 2.258 -8.413 -2.356 1.00 0.00 H new ATOM 0 HB THR A 66 3.023 -9.510 -4.989 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.130 -11.640 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.000 -10.341 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.784 -8.580 -3.564 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.298 -9.647 -2.225 1.00 0.00 H new ATOM 1057 N LEU A 67 1.951 -6.149 -3.244 1.00 0.00 N ATOM 1058 CA LEU A 67 2.168 -4.761 -3.654 1.00 0.00 C ATOM 1059 C LEU A 67 3.665 -4.455 -3.799 1.00 0.00 C ATOM 1060 O LEU A 67 4.499 -4.991 -3.075 1.00 0.00 O ATOM 1061 CB LEU A 67 1.514 -3.790 -2.654 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.023 -3.895 -2.605 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -0.522 -4.795 -1.474 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -0.632 -2.506 -2.398 1.00 0.00 C ATOM 0 H LEU A 67 1.571 -6.237 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 67 1.699 -4.623 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.915 -3.983 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.792 -2.769 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.331 -4.331 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.611 -4.830 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.125 -5.801 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.186 -4.396 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.719 -2.586 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.270 -2.086 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.342 -1.855 -3.223 1.00 0.00 H new ATOM 1076 N HIS A 68 4.013 -3.553 -4.712 1.00 0.00 N ATOM 1077 CA HIS A 68 5.356 -3.002 -4.849 1.00 0.00 C ATOM 1078 C HIS A 68 5.374 -1.605 -4.325 1.00 0.00 C ATOM 1079 O HIS A 68 4.410 -0.849 -4.417 1.00 0.00 O ATOM 1080 CB HIS A 68 5.847 -2.994 -6.296 1.00 0.00 C ATOM 1081 CG HIS A 68 5.975 -4.353 -6.961 1.00 0.00 C ATOM 1082 ND1 HIS A 68 5.136 -5.445 -6.819 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.880 -4.676 -7.931 1.00 0.00 C ATOM 1084 CE1 HIS A 68 5.568 -6.406 -7.659 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.614 -5.979 -8.375 1.00 0.00 N ATOM 0 H HIS A 68 3.353 -3.177 -5.393 1.00 0.00 H new ATOM 0 HA HIS A 68 6.026 -3.644 -4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.164 -2.385 -6.888 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.820 -2.503 -6.326 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.669 -4.035 -8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.129 -7.389 -7.743 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.116 -6.496 -9.097 1.00 0.00 H new ATOM 1093 N LEU A 69 6.520 -1.270 -3.782 1.00 0.00 N ATOM 1094 CA LEU A 69 6.759 0.078 -3.411 1.00 0.00 C ATOM 1095 C LEU A 69 7.423 0.929 -4.495 1.00 0.00 C ATOM 1096 O LEU A 69 8.196 0.427 -5.311 1.00 0.00 O ATOM 1097 CB LEU A 69 7.622 0.121 -2.172 1.00 0.00 C ATOM 1098 CG LEU A 69 7.906 1.411 -1.397 1.00 0.00 C ATOM 1099 CD1 LEU A 69 6.606 2.009 -0.877 1.00 0.00 C ATOM 1100 CD2 LEU A 69 8.814 1.115 -0.201 1.00 0.00 C ATOM 0 H LEU A 69 7.287 -1.916 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 69 5.773 0.509 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.177 -0.575 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.591 -0.289 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 69 8.394 2.114 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.821 2.926 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.948 2.235 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.117 1.295 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.010 2.038 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.323 0.401 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.756 0.695 -0.554 1.00 0.00 H new ATOM 1112 N VAL A 70 7.270 2.246 -4.363 1.00 0.00 N ATOM 1113 CA VAL A 70 8.316 3.195 -4.740 1.00 0.00 C ATOM 1114 C VAL A 70 8.594 4.234 -3.689 1.00 0.00 C ATOM 1115 O VAL A 70 7.863 4.402 -2.724 1.00 0.00 O ATOM 1116 CB VAL A 70 7.971 4.067 -5.987 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.749 3.506 -7.157 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.485 4.205 -6.318 1.00 0.00 C ATOM 0 H VAL A 70 6.425 2.682 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 70 9.156 2.524 -4.916 1.00 0.00 H new ATOM 0 HB VAL A 70 8.260 5.092 -5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.534 4.091 -8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.816 3.553 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.458 2.469 -7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.366 4.832 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.062 3.219 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.966 4.663 -5.476 1.00 0.00 H new ATOM 1128 N LEU A 71 9.622 5.020 -3.981 1.00 0.00 N ATOM 1129 CA LEU A 71 9.671 6.397 -3.569 1.00 0.00 C ATOM 1130 C LEU A 71 8.597 7.392 -4.041 1.00 0.00 C ATOM 1131 O LEU A 71 7.719 7.137 -4.860 1.00 0.00 O ATOM 1132 CB LEU A 71 11.047 6.994 -3.910 1.00 0.00 C ATOM 1133 CG LEU A 71 12.199 6.380 -3.089 1.00 0.00 C ATOM 1134 CD1 LEU A 71 13.543 6.696 -3.745 1.00 0.00 C ATOM 1135 CD2 LEU A 71 12.229 6.916 -1.656 1.00 0.00 C ATOM 0 H LEU A 71 10.438 4.712 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 71 9.459 6.296 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.247 6.845 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.021 8.070 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 71 12.028 5.304 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.348 6.257 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.563 6.280 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.678 7.776 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.056 6.457 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.363 7.998 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.290 6.675 -1.158 1.00 0.00 H new ATOM 1147 N ARG A 72 8.763 8.596 -3.488 1.00 0.00 N ATOM 1148 CA ARG A 72 8.619 9.854 -4.207 1.00 0.00 C ATOM 1149 C ARG A 72 9.092 9.856 -5.676 1.00 0.00 C ATOM 1150 O ARG A 72 9.969 9.093 -6.066 1.00 0.00 O ATOM 1151 CB ARG A 72 9.381 10.967 -3.438 1.00 0.00 C ATOM 1152 CG ARG A 72 8.585 11.605 -2.289 1.00 0.00 C ATOM 1153 CD ARG A 72 7.684 12.767 -2.744 1.00 0.00 C ATOM 1154 NE ARG A 72 8.381 14.081 -2.777 1.00 0.00 N ATOM 1155 CZ ARG A 72 8.050 15.140 -2.047 1.00 0.00 C ATOM 1156 NH1 ARG A 72 7.322 15.009 -0.982 1.00 0.00 N ATOM 1157 NH2 ARG A 72 8.425 16.345 -2.369 1.00 0.00 N ATOM 0 H ARG A 72 9.007 8.721 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 72 7.544 10.029 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.303 10.547 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.667 11.748 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.969 10.841 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.280 11.968 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.294 12.546 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.827 12.836 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 72 9.175 14.176 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.997 14.085 -0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.074 15.830 -0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.990 16.497 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.153 17.137 -1.786 1.00 0.00 H new ATOM 1171 N LEU A 73 8.547 10.797 -6.460 1.00 0.00 N ATOM 1172 CA LEU A 73 9.064 11.184 -7.782 1.00 0.00 C ATOM 1173 C LEU A 73 9.014 12.714 -7.960 1.00 0.00 C ATOM 1174 O LEU A 73 9.952 13.386 -7.547 1.00 0.00 O ATOM 1175 CB LEU A 73 8.398 10.338 -8.896 1.00 0.00 C ATOM 1176 CG LEU A 73 9.158 10.209 -10.236 1.00 0.00 C ATOM 1177 CD1 LEU A 73 9.394 11.538 -10.952 1.00 0.00 C ATOM 1178 CD2 LEU A 73 10.502 9.492 -10.080 1.00 0.00 C ATOM 0 H LEU A 73 7.716 11.322 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 73 10.124 10.945 -7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.232 9.335 -8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.417 10.766 -9.104 1.00 0.00 H new ATOM 0 HG LEU A 73 8.490 9.609 -10.854 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.933 11.359 -11.883 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.435 12.008 -11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.982 12.196 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.995 9.428 -11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.134 10.049 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.336 8.488 -9.691 1.00 0.00 H new ATOM 1190 N ARG A 74 7.925 13.291 -8.500 1.00 0.00 N ATOM 1191 CA ARG A 74 7.763 14.756 -8.639 1.00 0.00 C ATOM 1192 C ARG A 74 7.246 15.420 -7.352 1.00 0.00 C ATOM 1193 O ARG A 74 7.729 16.477 -6.962 1.00 0.00 O ATOM 1194 CB ARG A 74 6.874 15.066 -9.865 1.00 0.00 C ATOM 1195 CG ARG A 74 6.711 16.575 -10.137 1.00 0.00 C ATOM 1196 CD ARG A 74 5.782 16.876 -11.328 1.00 0.00 C ATOM 1197 NE ARG A 74 6.423 16.623 -12.634 1.00 0.00 N ATOM 1198 CZ ARG A 74 6.131 17.240 -13.770 1.00 0.00 C ATOM 1199 NH1 ARG A 74 5.066 17.969 -13.944 1.00 0.00 N ATOM 1200 NH2 ARG A 74 6.932 17.149 -14.792 1.00 0.00 N ATOM 0 H ARG A 74 7.131 12.758 -8.853 1.00 0.00 H new ATOM 0 HA ARG A 74 8.747 15.194 -8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.304 14.590 -10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.890 14.623 -9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.316 17.059 -9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.691 17.012 -10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.884 16.264 -11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.464 17.918 -11.280 1.00 0.00 H new ATOM 0 HE ARG A 74 7.154 15.912 -12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.401 18.090 -13.180 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.897 18.419 -14.844 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.789 16.601 -14.721 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.702 17.626 -15.664 1.00 0.00 H new ATOM 1214 N GLY A 75 6.264 14.801 -6.699 1.00 0.00 N ATOM 1215 CA GLY A 75 5.650 15.277 -5.454 1.00 0.00 C ATOM 1216 C GLY A 75 4.435 14.408 -5.158 1.00 0.00 C ATOM 1217 O GLY A 75 4.583 13.345 -4.549 1.00 0.00 O ATOM 0 H GLY A 75 5.858 13.926 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.365 15.223 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.355 16.322 -5.551 1.00 0.00 H new ATOM 1221 N GLY A 76 3.291 14.811 -5.724 1.00 0.00 N ATOM 1222 CA GLY A 76 2.205 13.903 -6.126 1.00 0.00 C ATOM 1223 C GLY A 76 2.559 13.049 -7.342 1.00 0.00 C ATOM 1224 O GLY A 76 3.765 12.902 -7.653 1.00 0.00 O ATOM 1225 OXT GLY A 76 1.642 12.398 -7.885 1.00 0.00 O ATOM 0 H GLY A 76 3.089 15.791 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.957 13.249 -5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.313 14.489 -6.348 1.00 0.00 H new TER 1229 GLY A 76