USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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 Single : A 1 MET CE :methyl 177:sc= -0.998 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 154:sc= -6.8! (180deg=-8.35!) USER MOD Single : A 2 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.51) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 120:sc= -1.38 USER MOD Single : A 9 THR OG1 : rot 180:sc= 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 -126:sc= 0.074 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.0289 (180deg=-0.298) USER MOD Single : A 31 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= -0.0888 (180deg=-0.0888) USER MOD Single : A 40 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.1!) USER MOD Single : A 41 GLN : amide:sc= -3.53! C(o=-3.5!,f=-10!) 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=-0.16) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= -0.463 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 62 GLN : amide:sc= -0.436 K(o=-0.44,f=-4.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 35:sc= 0.123 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.510 -5.595 4.308 1.00 0.00 N ATOM 2 CA MET A 1 -12.596 -4.958 5.611 1.00 0.00 C ATOM 3 C MET A 1 -11.773 -3.669 5.646 1.00 0.00 C ATOM 4 O MET A 1 -11.277 -3.217 4.616 1.00 0.00 O ATOM 5 CB MET A 1 -12.085 -5.920 6.685 1.00 0.00 C ATOM 6 CG MET A 1 -10.655 -6.374 6.379 1.00 0.00 C ATOM 7 SD MET A 1 -10.205 -7.735 7.441 1.00 0.00 S ATOM 8 CE MET A 1 -10.523 -9.105 6.342 1.00 0.00 C ATOM 0 H1 MET A 1 -12.674 -6.617 4.410 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.229 -5.190 3.675 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.565 -5.434 3.905 1.00 0.00 H new ATOM 0 HA MET A 1 -13.639 -4.706 5.803 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.115 -5.432 7.659 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.742 -6.788 6.743 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.576 -6.676 5.335 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.963 -5.545 6.524 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.242 -10.037 6.832 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.583 -9.132 6.092 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.938 -8.984 5.430 1.00 0.00 H new ATOM 18 N GLN A 2 -11.655 -3.113 6.843 1.00 0.00 N ATOM 19 CA GLN A 2 -10.900 -1.884 7.026 1.00 0.00 C ATOM 20 C GLN A 2 -9.434 -2.201 7.329 1.00 0.00 C ATOM 21 O GLN A 2 -9.127 -3.241 7.909 1.00 0.00 O ATOM 22 CB GLN A 2 -11.515 -1.024 8.133 1.00 0.00 C ATOM 23 CG GLN A 2 -10.653 0.210 8.409 1.00 0.00 C ATOM 24 CD GLN A 2 -11.459 1.290 9.136 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.585 1.294 10.349 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.994 2.200 8.328 1.00 0.00 N ATOM 0 H GLN A 2 -12.069 -3.490 7.695 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.943 -1.312 6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.519 -0.714 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.615 -1.614 9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.790 -0.072 9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.269 0.608 7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.848 2.136 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.550 2.962 8.716 1.00 0.00 H new ATOM 35 N ILE A 3 -8.568 -1.286 6.921 1.00 0.00 N ATOM 36 CA ILE A 3 -7.142 -1.455 7.140 1.00 0.00 C ATOM 37 C ILE A 3 -6.511 -0.093 7.440 1.00 0.00 C ATOM 38 O ILE A 3 -7.117 0.945 7.181 1.00 0.00 O ATOM 39 CB ILE A 3 -6.500 -2.183 5.956 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.255 -1.222 4.790 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.337 -3.392 5.536 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.569 -0.605 4.304 1.00 0.00 C ATOM 0 H ILE A 3 -8.826 -0.425 6.440 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.963 -2.088 8.009 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.528 -2.560 6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.572 -0.432 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.774 -1.755 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.858 -3.891 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.417 -4.087 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.333 -3.061 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.368 0.074 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.241 -1.396 3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.036 -0.053 5.120 1.00 0.00 H new ATOM 54 N PHE A 4 -5.304 -0.144 7.982 1.00 0.00 N ATOM 55 CA PHE A 4 -4.585 1.073 8.321 1.00 0.00 C ATOM 56 C PHE A 4 -3.276 1.172 7.536 1.00 0.00 C ATOM 57 O PHE A 4 -2.308 0.477 7.845 1.00 0.00 O ATOM 58 CB PHE A 4 -4.266 1.002 9.817 1.00 0.00 C ATOM 59 CG PHE A 4 -5.414 1.453 10.720 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.648 0.897 10.581 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.203 2.412 11.661 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.714 1.316 11.420 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.270 2.832 12.499 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.503 2.275 12.361 1.00 0.00 C ATOM 0 H PHE A 4 -4.805 -1.008 8.195 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.191 1.945 8.076 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.998 -0.023 10.072 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.392 1.621 10.021 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.817 0.137 9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.224 2.854 11.771 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.693 0.873 11.311 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.102 3.594 13.246 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.314 2.594 12.998 1.00 0.00 H new ATOM 74 N VAL A 5 -3.286 2.043 6.537 1.00 0.00 N ATOM 75 CA VAL A 5 -2.111 2.243 5.707 1.00 0.00 C ATOM 76 C VAL A 5 -1.281 3.397 6.273 1.00 0.00 C ATOM 77 O VAL A 5 -1.829 4.335 6.848 1.00 0.00 O ATOM 78 CB VAL A 5 -2.531 2.465 4.252 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.196 3.833 4.076 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.337 2.311 3.307 1.00 0.00 C ATOM 0 H VAL A 5 -4.090 2.618 6.284 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.480 1.354 5.718 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.263 1.700 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.485 3.966 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.082 3.891 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.495 4.618 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.663 2.474 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.572 3.043 3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.925 1.306 3.402 1.00 0.00 H new ATOM 90 N LYS A 6 0.026 3.288 6.090 1.00 0.00 N ATOM 91 CA LYS A 6 0.937 4.310 6.575 1.00 0.00 C ATOM 92 C LYS A 6 1.476 5.112 5.389 1.00 0.00 C ATOM 93 O LYS A 6 1.674 4.567 4.305 1.00 0.00 O ATOM 94 CB LYS A 6 2.032 3.685 7.442 1.00 0.00 C ATOM 95 CG LYS A 6 1.694 3.810 8.928 1.00 0.00 C ATOM 96 CD LYS A 6 1.236 2.468 9.502 1.00 0.00 C ATOM 97 CE LYS A 6 2.358 1.802 10.301 1.00 0.00 C ATOM 98 NZ LYS A 6 1.913 1.519 11.684 1.00 0.00 N ATOM 0 H LYS A 6 0.476 2.507 5.612 1.00 0.00 H new ATOM 0 HA LYS A 6 0.411 5.012 7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.152 2.634 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.985 4.175 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.568 4.164 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.910 4.554 9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.368 2.620 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.922 1.810 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.659 0.875 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.233 2.451 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.687 1.067 12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.648 2.409 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.091 0.882 11.661 1.00 0.00 H new ATOM 112 N THR A 7 1.696 6.396 5.635 1.00 0.00 N ATOM 113 CA THR A 7 2.207 7.279 4.600 1.00 0.00 C ATOM 114 C THR A 7 3.714 7.485 4.771 1.00 0.00 C ATOM 115 O THR A 7 4.257 7.252 5.849 1.00 0.00 O ATOM 116 CB THR A 7 1.406 8.582 4.652 1.00 0.00 C ATOM 117 OG1 THR A 7 1.855 9.218 5.845 1.00 0.00 O ATOM 118 CG2 THR A 7 -0.086 8.342 4.896 1.00 0.00 C ATOM 0 H THR A 7 1.530 6.845 6.535 1.00 0.00 H new ATOM 0 HA THR A 7 2.080 6.842 3.609 1.00 0.00 H new ATOM 0 HB THR A 7 1.538 9.127 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.249 10.087 5.624 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.609 9.298 4.924 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.492 7.730 4.091 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.221 7.827 5.847 1.00 0.00 H new ATOM 126 N LEU A 8 4.346 7.920 3.691 1.00 0.00 N ATOM 127 CA LEU A 8 5.778 8.161 3.708 1.00 0.00 C ATOM 128 C LEU A 8 6.087 9.308 4.673 1.00 0.00 C ATOM 129 O LEU A 8 7.249 9.571 4.979 1.00 0.00 O ATOM 130 CB LEU A 8 6.299 8.395 2.289 1.00 0.00 C ATOM 131 CG LEU A 8 7.656 7.768 1.960 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.570 6.241 1.968 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.202 8.305 0.636 1.00 0.00 C ATOM 0 H LEU A 8 3.892 8.112 2.798 1.00 0.00 H new ATOM 0 HA LEU A 8 6.307 7.282 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.562 8.009 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.368 9.470 2.121 1.00 0.00 H new ATOM 0 HG LEU A 8 8.363 8.055 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.547 5.820 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.257 5.899 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.844 5.914 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.167 7.843 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.504 8.069 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.324 9.386 0.705 1.00 0.00 H new ATOM 145 N THR A 9 5.026 9.959 5.126 1.00 0.00 N ATOM 146 CA THR A 9 5.169 11.071 6.050 1.00 0.00 C ATOM 147 C THR A 9 4.916 10.608 7.486 1.00 0.00 C ATOM 148 O THR A 9 4.816 11.428 8.398 1.00 0.00 O ATOM 149 CB THR A 9 4.227 12.188 5.596 1.00 0.00 C ATOM 150 OG1 THR A 9 4.685 12.518 4.288 1.00 0.00 O ATOM 151 CG2 THR A 9 4.420 13.478 6.395 1.00 0.00 C ATOM 0 H THR A 9 4.064 9.738 4.870 1.00 0.00 H new ATOM 0 HA THR A 9 6.186 11.462 6.043 1.00 0.00 H new ATOM 0 HB THR A 9 3.194 11.853 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.128 13.234 3.917 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.727 14.238 6.032 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.227 13.285 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.444 13.832 6.272 1.00 0.00 H new ATOM 159 N GLY A 10 4.818 9.296 7.642 1.00 0.00 N ATOM 160 CA GLY A 10 4.579 8.714 8.951 1.00 0.00 C ATOM 161 C GLY A 10 3.122 8.905 9.378 1.00 0.00 C ATOM 162 O GLY A 10 2.727 8.479 10.462 1.00 0.00 O ATOM 0 H GLY A 10 4.900 8.620 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.819 7.651 8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.240 9.176 9.684 1.00 0.00 H new ATOM 166 N LYS A 11 2.361 9.546 8.501 1.00 0.00 N ATOM 167 CA LYS A 11 0.957 9.798 8.773 1.00 0.00 C ATOM 168 C LYS A 11 0.173 8.492 8.641 1.00 0.00 C ATOM 169 O LYS A 11 0.574 7.595 7.900 1.00 0.00 O ATOM 170 CB LYS A 11 0.431 10.923 7.878 1.00 0.00 C ATOM 171 CG LYS A 11 0.574 12.283 8.565 1.00 0.00 C ATOM 172 CD LYS A 11 0.155 13.417 7.628 1.00 0.00 C ATOM 173 CE LYS A 11 1.359 13.965 6.859 1.00 0.00 C ATOM 174 NZ LYS A 11 0.920 14.614 5.603 1.00 0.00 N ATOM 0 H LYS A 11 2.691 9.898 7.602 1.00 0.00 H new ATOM 0 HA LYS A 11 0.825 10.147 9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.978 10.928 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.617 10.741 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.039 12.306 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.608 12.429 8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.596 13.055 6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.308 14.218 8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.897 14.683 7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.053 13.155 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.749 14.980 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.427 13.919 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.275 15.399 5.825 1.00 0.00 H new ATOM 188 N THR A 12 -0.930 8.423 9.372 1.00 0.00 N ATOM 189 CA THR A 12 -1.774 7.241 9.346 1.00 0.00 C ATOM 190 C THR A 12 -3.027 7.497 8.507 1.00 0.00 C ATOM 191 O THR A 12 -3.747 8.467 8.740 1.00 0.00 O ATOM 192 CB THR A 12 -2.081 6.847 10.792 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.829 6.396 11.302 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.987 5.618 10.885 1.00 0.00 C ATOM 0 H THR A 12 -1.259 9.168 9.987 1.00 0.00 H new ATOM 0 HA THR A 12 -1.266 6.404 8.866 1.00 0.00 H new ATOM 0 HB THR A 12 -2.554 7.685 11.304 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.936 6.122 12.237 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.173 5.382 11.933 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.934 5.825 10.386 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.501 4.770 10.403 1.00 0.00 H new ATOM 202 N ILE A 13 -3.249 6.612 7.547 1.00 0.00 N ATOM 203 CA ILE A 13 -4.402 6.730 6.672 1.00 0.00 C ATOM 204 C ILE A 13 -5.205 5.428 6.714 1.00 0.00 C ATOM 205 O ILE A 13 -4.720 4.382 6.288 1.00 0.00 O ATOM 206 CB ILE A 13 -3.967 7.138 5.262 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.443 8.576 5.246 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.100 6.929 4.256 1.00 0.00 C ATOM 209 CD1 ILE A 13 -4.478 9.543 5.824 1.00 0.00 C ATOM 0 H ILE A 13 -2.649 5.809 7.356 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.063 7.524 7.019 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.144 6.491 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.521 8.637 5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.199 8.867 4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.764 7.227 3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.385 5.877 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.959 7.534 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.081 10.558 5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.391 9.497 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.701 9.264 6.854 1.00 0.00 H new ATOM 221 N THR A 14 -6.420 5.536 7.232 1.00 0.00 N ATOM 222 CA THR A 14 -7.294 4.380 7.335 1.00 0.00 C ATOM 223 C THR A 14 -8.263 4.336 6.152 1.00 0.00 C ATOM 224 O THR A 14 -8.733 5.376 5.691 1.00 0.00 O ATOM 225 CB THR A 14 -7.996 4.439 8.694 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.959 4.786 9.606 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.467 3.063 9.170 1.00 0.00 C ATOM 0 H THR A 14 -6.819 6.406 7.585 1.00 0.00 H new ATOM 0 HA THR A 14 -6.728 3.450 7.285 1.00 0.00 H new ATOM 0 HB THR A 14 -8.850 5.113 8.632 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.929 4.129 10.333 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.958 3.161 10.138 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.170 2.649 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.609 2.397 9.264 1.00 0.00 H new ATOM 235 N LEU A 15 -8.534 3.123 5.695 1.00 0.00 N ATOM 236 CA LEU A 15 -9.437 2.930 4.574 1.00 0.00 C ATOM 237 C LEU A 15 -10.351 1.736 4.860 1.00 0.00 C ATOM 238 O LEU A 15 -9.877 0.660 5.220 1.00 0.00 O ATOM 239 CB LEU A 15 -8.652 2.803 3.267 1.00 0.00 C ATOM 240 CG LEU A 15 -9.282 3.462 2.039 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.614 2.800 1.684 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.429 4.972 2.241 1.00 0.00 C ATOM 0 H LEU A 15 -8.144 2.263 6.081 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.079 3.802 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.662 3.233 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.510 1.744 3.053 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.613 3.314 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.040 3.288 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.449 1.744 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.303 2.895 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.879 5.416 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.065 5.163 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.447 5.414 2.409 1.00 0.00 H new ATOM 254 N GLU A 16 -11.644 1.967 4.690 1.00 0.00 N ATOM 255 CA GLU A 16 -12.629 0.924 4.926 1.00 0.00 C ATOM 256 C GLU A 16 -13.037 0.272 3.605 1.00 0.00 C ATOM 257 O GLU A 16 -13.752 0.875 2.805 1.00 0.00 O ATOM 258 CB GLU A 16 -13.849 1.479 5.665 1.00 0.00 C ATOM 259 CG GLU A 16 -14.262 2.838 5.098 1.00 0.00 C ATOM 260 CD GLU A 16 -15.710 3.167 5.464 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.603 2.487 4.916 1.00 0.00 O ATOM 262 OE2 GLU A 16 -15.892 4.094 6.284 1.00 0.00 O ATOM 0 H GLU A 16 -12.033 2.861 4.392 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.178 0.161 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.680 0.778 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.622 1.578 6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.600 3.613 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.149 2.833 4.014 1.00 0.00 H new ATOM 269 N VAL A 17 -12.567 -0.952 3.416 1.00 0.00 N ATOM 270 CA VAL A 17 -12.875 -1.694 2.204 1.00 0.00 C ATOM 271 C VAL A 17 -13.377 -3.089 2.579 1.00 0.00 C ATOM 272 O VAL A 17 -13.536 -3.398 3.759 1.00 0.00 O ATOM 273 CB VAL A 17 -11.652 -1.725 1.285 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.216 -0.309 0.904 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.501 -2.498 1.930 1.00 0.00 C ATOM 0 H VAL A 17 -11.975 -1.449 4.081 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.672 -1.202 1.646 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.934 -2.246 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.345 -0.360 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.031 0.195 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.961 0.248 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.644 -2.505 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.221 -2.018 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.816 -3.523 2.127 1.00 0.00 H new ATOM 285 N GLU A 18 -13.612 -3.894 1.553 1.00 0.00 N ATOM 286 CA GLU A 18 -14.093 -5.249 1.761 1.00 0.00 C ATOM 287 C GLU A 18 -12.977 -6.257 1.475 1.00 0.00 C ATOM 288 O GLU A 18 -12.017 -5.944 0.773 1.00 0.00 O ATOM 289 CB GLU A 18 -15.322 -5.534 0.896 1.00 0.00 C ATOM 290 CG GLU A 18 -16.606 -5.450 1.724 1.00 0.00 C ATOM 291 CD GLU A 18 -17.604 -6.529 1.299 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.676 -6.786 0.077 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.272 -7.074 2.204 1.00 0.00 O ATOM 0 H GLU A 18 -13.478 -3.634 0.576 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.392 -5.351 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.367 -4.819 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.236 -6.525 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.369 -5.565 2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.057 -4.465 1.604 1.00 0.00 H new ATOM 300 N PRO A 19 -13.146 -7.479 2.049 1.00 0.00 N ATOM 301 CA PRO A 19 -12.165 -8.535 1.863 1.00 0.00 C ATOM 302 C PRO A 19 -12.269 -9.140 0.462 1.00 0.00 C ATOM 303 O PRO A 19 -11.370 -9.854 0.023 1.00 0.00 O ATOM 304 CB PRO A 19 -12.454 -9.538 2.968 1.00 0.00 C ATOM 305 CG PRO A 19 -13.868 -9.242 3.440 1.00 0.00 C ATOM 306 CD PRO A 19 -14.270 -7.885 2.886 1.00 0.00 C ATOM 0 HA PRO A 19 -11.139 -8.173 1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.371 -10.560 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.740 -9.435 3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.555 -10.014 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.914 -9.239 4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.191 -7.951 2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.447 -7.167 3.687 1.00 0.00 H new ATOM 314 N SER A 20 -13.375 -8.832 -0.200 1.00 0.00 N ATOM 315 CA SER A 20 -13.609 -9.338 -1.542 1.00 0.00 C ATOM 316 C SER A 20 -13.021 -8.373 -2.573 1.00 0.00 C ATOM 317 O SER A 20 -12.711 -8.772 -3.695 1.00 0.00 O ATOM 318 CB SER A 20 -15.103 -9.545 -1.800 1.00 0.00 C ATOM 319 OG SER A 20 -15.534 -10.850 -1.423 1.00 0.00 O ATOM 0 H SER A 20 -14.119 -8.239 0.168 1.00 0.00 H new ATOM 0 HA SER A 20 -13.115 -10.305 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.673 -8.800 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.314 -9.385 -2.857 1.00 0.00 H new ATOM 0 HG SER A 20 -16.493 -10.942 -1.602 1.00 0.00 H new ATOM 325 N ASP A 21 -12.885 -7.123 -2.157 1.00 0.00 N ATOM 326 CA ASP A 21 -12.340 -6.098 -3.032 1.00 0.00 C ATOM 327 C ASP A 21 -10.880 -6.429 -3.350 1.00 0.00 C ATOM 328 O ASP A 21 -10.165 -6.969 -2.508 1.00 0.00 O ATOM 329 CB ASP A 21 -12.377 -4.724 -2.360 1.00 0.00 C ATOM 330 CG ASP A 21 -13.708 -4.363 -1.697 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.702 -5.056 -2.007 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.702 -3.404 -0.897 1.00 0.00 O ATOM 0 H ASP A 21 -13.143 -6.796 -1.226 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.944 -6.073 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.590 -4.684 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.143 -3.965 -3.106 1.00 0.00 H new ATOM 337 N THR A 22 -10.483 -6.092 -4.568 1.00 0.00 N ATOM 338 CA THR A 22 -9.122 -6.346 -5.008 1.00 0.00 C ATOM 339 C THR A 22 -8.199 -5.204 -4.578 1.00 0.00 C ATOM 340 O THR A 22 -8.665 -4.172 -4.099 1.00 0.00 O ATOM 341 CB THR A 22 -9.147 -6.570 -6.522 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.772 -5.396 -7.035 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.091 -7.703 -6.930 1.00 0.00 C ATOM 0 H THR A 22 -11.080 -5.645 -5.264 1.00 0.00 H new ATOM 0 HA THR A 22 -8.717 -7.243 -4.539 1.00 0.00 H new ATOM 0 HB THR A 22 -8.140 -6.792 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.828 -5.455 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.071 -7.820 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.770 -8.632 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.105 -7.465 -6.609 1.00 0.00 H new ATOM 351 N ILE A 23 -6.907 -5.427 -4.765 1.00 0.00 N ATOM 352 CA ILE A 23 -5.915 -4.429 -4.403 1.00 0.00 C ATOM 353 C ILE A 23 -6.205 -3.130 -5.158 1.00 0.00 C ATOM 354 O ILE A 23 -6.284 -2.061 -4.554 1.00 0.00 O ATOM 355 CB ILE A 23 -4.502 -4.970 -4.632 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.190 -6.113 -3.665 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.464 -3.849 -4.547 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.270 -5.641 -2.212 1.00 0.00 C ATOM 0 H ILE A 23 -6.524 -6.285 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.976 -4.201 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.453 -5.378 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.893 -6.931 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.194 -6.505 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.469 -4.261 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.677 -3.097 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.506 -3.389 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.044 -6.474 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.549 -4.840 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.275 -5.273 -2.004 1.00 0.00 H new ATOM 370 N GLU A 24 -6.356 -3.265 -6.467 1.00 0.00 N ATOM 371 CA GLU A 24 -6.636 -2.116 -7.311 1.00 0.00 C ATOM 372 C GLU A 24 -7.872 -1.371 -6.801 1.00 0.00 C ATOM 373 O GLU A 24 -7.951 -0.149 -6.904 1.00 0.00 O ATOM 374 CB GLU A 24 -6.814 -2.537 -8.770 1.00 0.00 C ATOM 375 CG GLU A 24 -6.080 -1.578 -9.711 1.00 0.00 C ATOM 376 CD GLU A 24 -6.796 -1.478 -11.060 1.00 0.00 C ATOM 377 OE1 GLU A 24 -6.723 -2.470 -11.816 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.401 -0.412 -11.303 1.00 0.00 O ATOM 0 H GLU A 24 -6.290 -4.153 -6.964 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.783 -1.440 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.435 -3.550 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.875 -2.557 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.018 -0.590 -9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.057 -1.923 -9.863 1.00 0.00 H new ATOM 385 N ASN A 25 -8.806 -2.141 -6.261 1.00 0.00 N ATOM 386 CA ASN A 25 -10.034 -1.571 -5.735 1.00 0.00 C ATOM 387 C ASN A 25 -9.712 -0.731 -4.499 1.00 0.00 C ATOM 388 O ASN A 25 -10.223 0.378 -4.346 1.00 0.00 O ATOM 389 CB ASN A 25 -11.017 -2.667 -5.319 1.00 0.00 C ATOM 390 CG ASN A 25 -12.457 -2.266 -5.648 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.979 -2.546 -6.713 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.067 -1.597 -4.673 1.00 0.00 N ATOM 0 H ASN A 25 -8.736 -3.155 -6.177 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.485 -0.961 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.769 -3.597 -5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.924 -2.857 -4.250 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.031 -1.286 -4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.571 -1.396 -3.805 1.00 0.00 H new ATOM 399 N VAL A 26 -8.867 -1.290 -3.646 1.00 0.00 N ATOM 400 CA VAL A 26 -8.470 -0.606 -2.427 1.00 0.00 C ATOM 401 C VAL A 26 -7.711 0.672 -2.788 1.00 0.00 C ATOM 402 O VAL A 26 -7.983 1.737 -2.236 1.00 0.00 O ATOM 403 CB VAL A 26 -7.661 -1.550 -1.536 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.588 -1.023 -0.102 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.238 -2.967 -1.571 1.00 0.00 C ATOM 0 H VAL A 26 -8.446 -2.210 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.348 -0.311 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.645 -1.592 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.007 -1.713 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.109 -0.044 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.595 -0.936 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.644 -3.618 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.268 -2.949 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.213 -3.345 -2.593 1.00 0.00 H new ATOM 415 N LYS A 27 -6.774 0.525 -3.713 1.00 0.00 N ATOM 416 CA LYS A 27 -5.974 1.655 -4.154 1.00 0.00 C ATOM 417 C LYS A 27 -6.881 2.682 -4.834 1.00 0.00 C ATOM 418 O LYS A 27 -6.658 3.886 -4.716 1.00 0.00 O ATOM 419 CB LYS A 27 -4.816 1.179 -5.034 1.00 0.00 C ATOM 420 CG LYS A 27 -3.528 1.043 -4.220 1.00 0.00 C ATOM 421 CD LYS A 27 -2.362 0.603 -5.108 1.00 0.00 C ATOM 422 CE LYS A 27 -2.284 -0.923 -5.194 1.00 0.00 C ATOM 423 NZ LYS A 27 -0.968 -1.346 -5.719 1.00 0.00 N ATOM 0 H LYS A 27 -6.551 -0.360 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.513 2.152 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.068 0.219 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.661 1.884 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.290 1.996 -3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.674 0.318 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.483 1.021 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.427 0.997 -4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.445 -1.357 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.077 -1.298 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.932 -2.384 -5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.829 -0.947 -6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.216 -1.005 -5.087 1.00 0.00 H new ATOM 437 N ALA A 28 -7.885 2.170 -5.529 1.00 0.00 N ATOM 438 CA ALA A 28 -8.828 3.027 -6.227 1.00 0.00 C ATOM 439 C ALA A 28 -9.563 3.903 -5.211 1.00 0.00 C ATOM 440 O ALA A 28 -9.754 5.097 -5.437 1.00 0.00 O ATOM 441 CB ALA A 28 -9.784 2.168 -7.056 1.00 0.00 C ATOM 0 H ALA A 28 -8.067 1.171 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.305 3.690 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.491 2.812 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.215 1.588 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.328 1.491 -6.398 1.00 0.00 H new ATOM 447 N LYS A 29 -9.956 3.276 -4.111 1.00 0.00 N ATOM 448 CA LYS A 29 -10.666 3.984 -3.059 1.00 0.00 C ATOM 449 C LYS A 29 -9.746 5.047 -2.455 1.00 0.00 C ATOM 450 O LYS A 29 -10.167 6.180 -2.229 1.00 0.00 O ATOM 451 CB LYS A 29 -11.222 2.997 -2.031 1.00 0.00 C ATOM 452 CG LYS A 29 -12.438 3.583 -1.311 1.00 0.00 C ATOM 453 CD LYS A 29 -13.288 2.479 -0.680 1.00 0.00 C ATOM 454 CE LYS A 29 -14.681 2.997 -0.318 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.478 3.238 -1.540 1.00 0.00 N ATOM 0 H LYS A 29 -9.796 2.286 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.532 4.506 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.502 2.068 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.449 2.749 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.108 4.278 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.042 4.154 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.376 1.642 -1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.793 2.101 0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.190 2.273 0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.595 3.920 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.490 3.240 -1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.218 4.158 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.288 2.486 -2.233 1.00 0.00 H new ATOM 469 N ILE A 30 -8.507 4.643 -2.211 1.00 0.00 N ATOM 470 CA ILE A 30 -7.525 5.548 -1.638 1.00 0.00 C ATOM 471 C ILE A 30 -7.262 6.695 -2.616 1.00 0.00 C ATOM 472 O ILE A 30 -7.039 7.830 -2.200 1.00 0.00 O ATOM 473 CB ILE A 30 -6.263 4.782 -1.236 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.593 3.661 -0.248 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.197 5.732 -0.688 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.508 2.583 -0.259 1.00 0.00 C ATOM 0 H ILE A 30 -8.161 3.702 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.907 5.993 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.849 4.313 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.690 4.074 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.555 3.217 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.310 5.162 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.933 6.463 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.586 6.249 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.767 1.798 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.430 2.156 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.552 3.026 0.022 1.00 0.00 H new ATOM 488 N GLN A 31 -7.297 6.358 -3.897 1.00 0.00 N ATOM 489 CA GLN A 31 -7.065 7.346 -4.937 1.00 0.00 C ATOM 490 C GLN A 31 -8.182 8.393 -4.934 1.00 0.00 C ATOM 491 O GLN A 31 -7.914 9.590 -4.849 1.00 0.00 O ATOM 492 CB GLN A 31 -6.942 6.679 -6.309 1.00 0.00 C ATOM 493 CG GLN A 31 -6.775 7.725 -7.413 1.00 0.00 C ATOM 494 CD GLN A 31 -6.913 7.087 -8.797 1.00 0.00 C ATOM 495 OE1 GLN A 31 -6.732 5.895 -8.981 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.244 7.946 -9.757 1.00 0.00 N ATOM 0 H GLN A 31 -7.482 5.415 -4.238 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.121 7.850 -4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.088 6.001 -6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.829 6.076 -6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.524 8.508 -7.293 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.798 8.201 -7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.381 8.932 -9.534 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.361 7.619 -10.716 1.00 0.00 H new ATOM 505 N ASP A 32 -9.409 7.901 -5.026 1.00 0.00 N ATOM 506 CA ASP A 32 -10.567 8.779 -5.034 1.00 0.00 C ATOM 507 C ASP A 32 -10.578 9.615 -3.753 1.00 0.00 C ATOM 508 O ASP A 32 -11.060 10.746 -3.749 1.00 0.00 O ATOM 509 CB ASP A 32 -11.868 7.974 -5.086 1.00 0.00 C ATOM 510 CG ASP A 32 -12.925 8.517 -6.049 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.529 9.277 -6.958 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.106 8.157 -5.855 1.00 0.00 O ATOM 0 H ASP A 32 -9.626 6.907 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.501 9.416 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.632 6.948 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.295 7.937 -4.084 1.00 0.00 H new ATOM 517 N LYS A 33 -10.041 9.025 -2.695 1.00 0.00 N ATOM 518 CA LYS A 33 -9.983 9.700 -1.410 1.00 0.00 C ATOM 519 C LYS A 33 -8.810 10.682 -1.408 1.00 0.00 C ATOM 520 O LYS A 33 -9.011 11.895 -1.437 1.00 0.00 O ATOM 521 CB LYS A 33 -9.934 8.680 -0.270 1.00 0.00 C ATOM 522 CG LYS A 33 -11.221 8.719 0.556 1.00 0.00 C ATOM 523 CD LYS A 33 -11.611 7.317 1.029 1.00 0.00 C ATOM 524 CE LYS A 33 -12.967 7.335 1.737 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.749 6.128 1.390 1.00 0.00 N ATOM 0 H LYS A 33 -9.642 8.086 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.889 10.284 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.790 7.680 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.079 8.888 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.085 9.373 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.028 9.143 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.651 6.640 0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.848 6.932 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.820 7.382 2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.521 8.229 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.666 6.156 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.905 6.099 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.226 5.279 1.685 1.00 0.00 H new ATOM 539 N GLU A 34 -7.610 10.121 -1.373 1.00 0.00 N ATOM 540 CA GLU A 34 -6.405 10.932 -1.367 1.00 0.00 C ATOM 541 C GLU A 34 -6.270 11.694 -2.687 1.00 0.00 C ATOM 542 O GLU A 34 -6.306 12.922 -2.706 1.00 0.00 O ATOM 543 CB GLU A 34 -5.167 10.074 -1.100 1.00 0.00 C ATOM 544 CG GLU A 34 -4.447 10.529 0.171 1.00 0.00 C ATOM 545 CD GLU A 34 -3.069 9.874 0.286 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.035 8.624 0.312 1.00 0.00 O ATOM 547 OE2 GLU A 34 -2.082 10.637 0.345 1.00 0.00 O ATOM 0 H GLU A 34 -7.447 9.114 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.484 11.658 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.459 9.028 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.487 10.137 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.338 11.614 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.048 10.275 1.044 1.00 0.00 H new ATOM 554 N GLY A 35 -6.117 10.931 -3.760 1.00 0.00 N ATOM 555 CA GLY A 35 -5.976 11.517 -5.082 1.00 0.00 C ATOM 556 C GLY A 35 -4.726 10.987 -5.786 1.00 0.00 C ATOM 557 O GLY A 35 -4.451 11.351 -6.929 1.00 0.00 O ATOM 0 H GLY A 35 -6.088 9.912 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.858 11.290 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.918 12.602 -4.998 1.00 0.00 H new ATOM 561 N ILE A 36 -4.001 10.135 -5.076 1.00 0.00 N ATOM 562 CA ILE A 36 -2.786 9.551 -5.619 1.00 0.00 C ATOM 563 C ILE A 36 -3.152 8.363 -6.511 1.00 0.00 C ATOM 564 O ILE A 36 -4.033 7.575 -6.172 1.00 0.00 O ATOM 565 CB ILE A 36 -1.812 9.198 -4.494 1.00 0.00 C ATOM 566 CG1 ILE A 36 -0.942 10.402 -4.125 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.970 7.974 -4.861 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.430 10.288 -2.688 1.00 0.00 C ATOM 0 H ILE A 36 -4.232 9.835 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.263 10.273 -6.246 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.392 8.936 -3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.098 10.469 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.519 11.320 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.286 7.745 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.625 7.121 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.398 8.184 -5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.185 11.156 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.276 10.245 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.166 9.381 -2.585 1.00 0.00 H new ATOM 580 N PRO A 37 -2.437 8.269 -7.665 1.00 0.00 N ATOM 581 CA PRO A 37 -2.677 7.190 -8.608 1.00 0.00 C ATOM 582 C PRO A 37 -2.090 5.874 -8.096 1.00 0.00 C ATOM 583 O PRO A 37 -1.151 5.876 -7.301 1.00 0.00 O ATOM 584 CB PRO A 37 -2.044 7.657 -9.909 1.00 0.00 C ATOM 585 CG PRO A 37 -1.074 8.764 -9.527 1.00 0.00 C ATOM 586 CD PRO A 37 -1.385 9.184 -8.099 1.00 0.00 C ATOM 0 HA PRO A 37 -3.738 6.982 -8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.525 6.838 -10.407 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.801 8.023 -10.602 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.045 8.414 -9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.176 9.611 -10.205 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.504 9.105 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.719 10.221 -8.055 1.00 0.00 H new ATOM 594 N PRO A 38 -2.682 4.751 -8.586 1.00 0.00 N ATOM 595 CA PRO A 38 -2.227 3.430 -8.187 1.00 0.00 C ATOM 596 C PRO A 38 -0.906 3.075 -8.872 1.00 0.00 C ATOM 597 O PRO A 38 -0.191 2.180 -8.422 1.00 0.00 O ATOM 598 CB PRO A 38 -3.364 2.493 -8.563 1.00 0.00 C ATOM 599 CG PRO A 38 -4.209 3.249 -9.575 1.00 0.00 C ATOM 600 CD PRO A 38 -3.795 4.710 -9.529 1.00 0.00 C ATOM 0 HA PRO A 38 -2.010 3.363 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.981 1.566 -8.989 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.953 2.222 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.062 2.842 -10.575 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.269 3.145 -9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.493 5.067 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.617 5.344 -9.198 1.00 0.00 H new ATOM 608 N ASP A 39 -0.624 3.792 -9.950 1.00 0.00 N ATOM 609 CA ASP A 39 0.598 3.563 -10.702 1.00 0.00 C ATOM 610 C ASP A 39 1.799 3.991 -9.857 1.00 0.00 C ATOM 611 O ASP A 39 2.807 3.288 -9.803 1.00 0.00 O ATOM 612 CB ASP A 39 0.612 4.383 -11.994 1.00 0.00 C ATOM 613 CG ASP A 39 -0.678 4.318 -12.814 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.100 3.182 -13.120 1.00 0.00 O ATOM 615 OD2 ASP A 39 -1.213 5.407 -13.117 1.00 0.00 O ATOM 0 H ASP A 39 -1.221 4.532 -10.320 1.00 0.00 H new ATOM 0 HA ASP A 39 0.649 2.502 -10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.814 5.424 -11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.438 4.039 -12.616 1.00 0.00 H new ATOM 620 N GLN A 40 1.653 5.143 -9.219 1.00 0.00 N ATOM 621 CA GLN A 40 2.715 5.674 -8.380 1.00 0.00 C ATOM 622 C GLN A 40 2.542 5.191 -6.938 1.00 0.00 C ATOM 623 O GLN A 40 3.336 5.538 -6.066 1.00 0.00 O ATOM 624 CB GLN A 40 2.753 7.202 -8.446 1.00 0.00 C ATOM 625 CG GLN A 40 1.765 7.818 -7.453 1.00 0.00 C ATOM 626 CD GLN A 40 1.869 9.344 -7.451 1.00 0.00 C ATOM 627 OE1 GLN A 40 1.926 9.989 -8.486 1.00 0.00 O ATOM 628 NE2 GLN A 40 1.891 9.885 -6.236 1.00 0.00 N ATOM 0 H GLN A 40 0.816 5.724 -9.266 1.00 0.00 H new ATOM 0 HA GLN A 40 3.669 5.303 -8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.761 7.554 -8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.512 7.532 -9.456 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.749 7.520 -7.713 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.964 7.435 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.840 9.288 -5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.959 10.897 -6.130 1.00 0.00 H new ATOM 637 N GLN A 41 1.501 4.398 -6.734 1.00 0.00 N ATOM 638 CA GLN A 41 1.215 3.864 -5.414 1.00 0.00 C ATOM 639 C GLN A 41 1.860 2.486 -5.247 1.00 0.00 C ATOM 640 O GLN A 41 1.752 1.636 -6.130 1.00 0.00 O ATOM 641 CB GLN A 41 -0.293 3.797 -5.164 1.00 0.00 C ATOM 642 CG GLN A 41 -0.594 3.569 -3.682 1.00 0.00 C ATOM 643 CD GLN A 41 -1.631 4.572 -3.171 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.545 5.087 -2.069 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.613 4.821 -4.033 1.00 0.00 N ATOM 0 H GLN A 41 0.845 4.112 -7.461 1.00 0.00 H new ATOM 0 HA GLN A 41 1.644 4.537 -4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.762 4.724 -5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.728 2.991 -5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.962 2.554 -3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.324 3.663 -3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.625 4.355 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.354 5.478 -3.787 1.00 0.00 H new ATOM 654 N ARG A 42 2.515 2.309 -4.110 1.00 0.00 N ATOM 655 CA ARG A 42 3.177 1.049 -3.816 1.00 0.00 C ATOM 656 C ARG A 42 2.862 0.603 -2.386 1.00 0.00 C ATOM 657 O ARG A 42 3.488 1.070 -1.435 1.00 0.00 O ATOM 658 CB ARG A 42 4.693 1.171 -3.983 1.00 0.00 C ATOM 659 CG ARG A 42 5.209 0.193 -5.040 1.00 0.00 C ATOM 660 CD ARG A 42 6.681 0.462 -5.363 1.00 0.00 C ATOM 661 NE ARG A 42 7.214 -0.616 -6.226 1.00 0.00 N ATOM 662 CZ ARG A 42 8.440 -0.609 -6.765 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.268 0.419 -6.535 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.839 -1.630 -7.535 1.00 0.00 N ATOM 0 H ARG A 42 2.602 3.017 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 42 2.804 0.307 -4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.950 2.191 -4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.184 0.975 -3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.092 -0.830 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.611 0.283 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.782 1.424 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.259 0.521 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 42 6.610 -1.414 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.965 1.197 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.202 0.424 -6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.209 -2.413 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.773 -1.625 -7.946 1.00 0.00 H new ATOM 678 N LEU A 43 1.892 -0.292 -2.279 1.00 0.00 N ATOM 679 CA LEU A 43 1.486 -0.805 -0.982 1.00 0.00 C ATOM 680 C LEU A 43 2.165 -2.155 -0.737 1.00 0.00 C ATOM 681 O LEU A 43 1.968 -3.100 -1.500 1.00 0.00 O ATOM 682 CB LEU A 43 -0.039 -0.855 -0.878 1.00 0.00 C ATOM 683 CG LEU A 43 -0.798 0.243 -1.626 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.296 0.179 -1.320 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.209 1.621 -1.320 1.00 0.00 C ATOM 0 H LEU A 43 1.375 -0.676 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 43 1.814 -0.134 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.377 -1.822 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.313 -0.806 0.176 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.680 0.073 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.813 0.970 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.689 -0.790 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.455 0.311 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.766 2.384 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.277 1.816 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.836 1.646 -1.628 1.00 0.00 H new ATOM 697 N ILE A 44 2.949 -2.202 0.329 1.00 0.00 N ATOM 698 CA ILE A 44 3.657 -3.421 0.684 1.00 0.00 C ATOM 699 C ILE A 44 2.965 -4.078 1.880 1.00 0.00 C ATOM 700 O ILE A 44 2.392 -3.392 2.725 1.00 0.00 O ATOM 701 CB ILE A 44 5.141 -3.130 0.917 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.746 -2.381 -0.272 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.908 -4.414 1.236 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.042 -0.924 0.090 1.00 0.00 C ATOM 0 H ILE A 44 3.110 -1.416 0.959 1.00 0.00 H new ATOM 0 HA ILE A 44 3.621 -4.136 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 44 5.229 -2.478 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.665 -2.875 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.058 -2.417 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.960 -4.179 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.496 -4.870 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.815 -5.110 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.471 -0.415 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.117 -0.427 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.749 -0.891 0.919 1.00 0.00 H new ATOM 716 N PHE A 45 3.038 -5.401 1.912 1.00 0.00 N ATOM 717 CA PHE A 45 2.426 -6.158 2.990 1.00 0.00 C ATOM 718 C PHE A 45 3.178 -7.468 3.235 1.00 0.00 C ATOM 719 O PHE A 45 3.400 -8.244 2.307 1.00 0.00 O ATOM 720 CB PHE A 45 0.996 -6.479 2.555 1.00 0.00 C ATOM 721 CG PHE A 45 0.005 -6.605 3.713 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.224 -7.517 4.698 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.094 -5.805 3.760 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.695 -7.633 5.775 1.00 0.00 C ATOM 725 CE2 PHE A 45 -2.013 -5.921 4.837 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.794 -6.833 5.822 1.00 0.00 C ATOM 0 H PHE A 45 3.512 -5.967 1.208 1.00 0.00 H new ATOM 0 HA PHE A 45 2.450 -5.578 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.650 -5.698 1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.000 -7.412 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.096 -8.153 4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.268 -5.081 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.521 -8.357 6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.885 -5.285 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.492 -6.922 6.641 1.00 0.00 H new ATOM 736 N ALA A 46 3.550 -7.674 4.490 1.00 0.00 N ATOM 737 CA ALA A 46 4.271 -8.877 4.869 1.00 0.00 C ATOM 738 C ALA A 46 5.522 -9.012 3.997 1.00 0.00 C ATOM 739 O ALA A 46 6.063 -10.107 3.847 1.00 0.00 O ATOM 740 CB ALA A 46 3.344 -10.088 4.750 1.00 0.00 C ATOM 0 H ALA A 46 3.365 -7.028 5.257 1.00 0.00 H new ATOM 0 HA ALA A 46 4.597 -8.818 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.886 -10.990 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.487 -9.956 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.998 -10.182 3.721 1.00 0.00 H new ATOM 746 N GLY A 47 5.944 -7.885 3.445 1.00 0.00 N ATOM 747 CA GLY A 47 7.120 -7.864 2.592 1.00 0.00 C ATOM 748 C GLY A 47 6.744 -8.127 1.133 1.00 0.00 C ATOM 749 O GLY A 47 7.574 -7.977 0.237 1.00 0.00 O ATOM 0 H GLY A 47 5.493 -6.979 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.616 -6.897 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.832 -8.617 2.929 1.00 0.00 H new ATOM 753 N LYS A 48 5.493 -8.516 0.938 1.00 0.00 N ATOM 754 CA LYS A 48 4.997 -8.802 -0.397 1.00 0.00 C ATOM 755 C LYS A 48 4.202 -7.600 -0.910 1.00 0.00 C ATOM 756 O LYS A 48 3.358 -7.058 -0.195 1.00 0.00 O ATOM 757 CB LYS A 48 4.205 -10.112 -0.405 1.00 0.00 C ATOM 758 CG LYS A 48 4.814 -11.113 -1.388 1.00 0.00 C ATOM 759 CD LYS A 48 5.777 -12.065 -0.674 1.00 0.00 C ATOM 760 CE LYS A 48 5.246 -13.499 -0.695 1.00 0.00 C ATOM 761 NZ LYS A 48 5.239 -14.069 0.671 1.00 0.00 N ATOM 0 H LYS A 48 4.807 -8.640 1.683 1.00 0.00 H new ATOM 0 HA LYS A 48 5.827 -8.953 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.194 -10.541 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.169 -9.913 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.020 -11.685 -1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.343 -10.578 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.754 -12.028 -1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.917 -11.740 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.237 -13.513 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.866 -14.113 -1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.876 -15.043 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.207 -14.073 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.629 -13.492 1.285 1.00 0.00 H new ATOM 775 N GLN A 49 4.499 -7.216 -2.143 1.00 0.00 N ATOM 776 CA GLN A 49 3.822 -6.087 -2.759 1.00 0.00 C ATOM 777 C GLN A 49 2.440 -6.508 -3.264 1.00 0.00 C ATOM 778 O GLN A 49 2.299 -7.551 -3.900 1.00 0.00 O ATOM 779 CB GLN A 49 4.662 -5.496 -3.892 1.00 0.00 C ATOM 780 CG GLN A 49 4.830 -6.500 -5.033 1.00 0.00 C ATOM 781 CD GLN A 49 5.693 -5.919 -6.155 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.730 -5.320 -5.927 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.207 -6.128 -7.375 1.00 0.00 N ATOM 0 H GLN A 49 5.199 -7.667 -2.732 1.00 0.00 H new ATOM 0 HA GLN A 49 3.691 -5.311 -2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.186 -4.590 -4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.641 -5.207 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.288 -7.413 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.852 -6.774 -5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.332 -6.638 -7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.709 -5.778 -8.191 1.00 0.00 H new ATOM 792 N LEU A 50 1.456 -5.675 -2.961 1.00 0.00 N ATOM 793 CA LEU A 50 0.090 -5.948 -3.376 1.00 0.00 C ATOM 794 C LEU A 50 -0.030 -5.737 -4.886 1.00 0.00 C ATOM 795 O LEU A 50 0.093 -4.614 -5.372 1.00 0.00 O ATOM 796 CB LEU A 50 -0.895 -5.112 -2.558 1.00 0.00 C ATOM 797 CG LEU A 50 -0.614 -5.020 -1.057 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.683 -4.186 -0.348 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.470 -6.413 -0.440 1.00 0.00 C ATOM 0 H LEU A 50 1.577 -4.811 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.169 -6.988 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.910 -4.102 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.894 -5.526 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 50 0.338 -4.507 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.459 -4.137 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.693 -3.178 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.660 -4.648 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.271 -6.319 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.393 -6.974 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.356 -6.939 -0.918 1.00 0.00 H new ATOM 811 N GLU A 51 -0.270 -6.835 -5.588 1.00 0.00 N ATOM 812 CA GLU A 51 -0.409 -6.785 -7.034 1.00 0.00 C ATOM 813 C GLU A 51 -1.866 -6.521 -7.419 1.00 0.00 C ATOM 814 O GLU A 51 -2.740 -7.344 -7.152 1.00 0.00 O ATOM 815 CB GLU A 51 0.104 -8.074 -7.679 1.00 0.00 C ATOM 816 CG GLU A 51 1.516 -8.406 -7.194 1.00 0.00 C ATOM 817 CD GLU A 51 2.307 -9.148 -8.274 1.00 0.00 C ATOM 818 OE1 GLU A 51 2.528 -8.533 -9.339 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.670 -10.315 -8.010 1.00 0.00 O ATOM 0 H GLU A 51 -0.372 -7.765 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 51 0.200 -5.963 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.569 -8.897 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.104 -7.967 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.037 -7.487 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.461 -9.018 -6.294 1.00 0.00 H new ATOM 826 N ASP A 52 -2.082 -5.370 -8.038 1.00 0.00 N ATOM 827 CA ASP A 52 -3.419 -4.987 -8.461 1.00 0.00 C ATOM 828 C ASP A 52 -4.079 -6.168 -9.176 1.00 0.00 C ATOM 829 O ASP A 52 -3.740 -6.478 -10.316 1.00 0.00 O ATOM 830 CB ASP A 52 -3.372 -3.811 -9.438 1.00 0.00 C ATOM 831 CG ASP A 52 -2.154 -3.788 -10.364 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.081 -3.366 -9.879 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.323 -4.192 -11.534 1.00 0.00 O ATOM 0 H ASP A 52 -1.354 -4.690 -8.257 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.984 -4.697 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.274 -3.830 -10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.393 -2.883 -8.867 1.00 0.00 H new ATOM 838 N GLY A 53 -5.013 -6.795 -8.475 1.00 0.00 N ATOM 839 CA GLY A 53 -5.724 -7.935 -9.027 1.00 0.00 C ATOM 840 C GLY A 53 -5.959 -9.007 -7.960 1.00 0.00 C ATOM 841 O GLY A 53 -6.735 -9.937 -8.169 1.00 0.00 O ATOM 0 H GLY A 53 -5.293 -6.535 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.680 -7.608 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.153 -8.359 -9.853 1.00 0.00 H new ATOM 845 N ARG A 54 -5.273 -8.838 -6.839 1.00 0.00 N ATOM 846 CA ARG A 54 -5.396 -9.779 -5.739 1.00 0.00 C ATOM 847 C ARG A 54 -6.407 -9.264 -4.710 1.00 0.00 C ATOM 848 O ARG A 54 -6.612 -8.057 -4.588 1.00 0.00 O ATOM 849 CB ARG A 54 -4.047 -10.002 -5.051 1.00 0.00 C ATOM 850 CG ARG A 54 -3.224 -11.060 -5.789 1.00 0.00 C ATOM 851 CD ARG A 54 -2.534 -12.003 -4.802 1.00 0.00 C ATOM 852 NE ARG A 54 -1.232 -12.444 -5.351 1.00 0.00 N ATOM 853 CZ ARG A 54 -0.360 -13.216 -4.687 1.00 0.00 C ATOM 854 NH1 ARG A 54 -0.645 -13.635 -3.447 1.00 0.00 N ATOM 855 NH2 ARG A 54 0.798 -13.567 -5.265 1.00 0.00 N ATOM 0 H ARG A 54 -4.631 -8.064 -6.669 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.742 -10.727 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.493 -9.064 -5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.208 -10.315 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.872 -11.633 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.477 -10.573 -6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.384 -11.498 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.168 -12.868 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.983 -12.142 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.526 -13.367 -3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.019 -14.222 -2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.015 -13.247 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.462 -14.154 -4.761 1.00 0.00 H new ATOM 869 N THR A 55 -7.010 -10.204 -3.999 1.00 0.00 N ATOM 870 CA THR A 55 -7.993 -9.860 -2.986 1.00 0.00 C ATOM 871 C THR A 55 -7.328 -9.755 -1.612 1.00 0.00 C ATOM 872 O THR A 55 -6.372 -10.472 -1.324 1.00 0.00 O ATOM 873 CB THR A 55 -9.113 -10.902 -3.041 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.436 -12.147 -2.885 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.756 -10.999 -4.426 1.00 0.00 C ATOM 0 H THR A 55 -6.837 -11.204 -4.104 1.00 0.00 H new ATOM 0 HA THR A 55 -8.431 -8.880 -3.176 1.00 0.00 H new ATOM 0 HB THR A 55 -9.876 -10.654 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.088 -12.879 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.544 -11.752 -4.410 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.183 -10.033 -4.697 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.000 -11.280 -5.159 1.00 0.00 H new ATOM 883 N LEU A 56 -7.862 -8.853 -0.800 1.00 0.00 N ATOM 884 CA LEU A 56 -7.332 -8.644 0.537 1.00 0.00 C ATOM 885 C LEU A 56 -7.424 -9.951 1.327 1.00 0.00 C ATOM 886 O LEU A 56 -6.534 -10.267 2.116 1.00 0.00 O ATOM 887 CB LEU A 56 -8.036 -7.467 1.213 1.00 0.00 C ATOM 888 CG LEU A 56 -7.955 -6.126 0.480 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.018 -5.153 0.995 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.546 -5.535 0.573 1.00 0.00 C ATOM 0 H LEU A 56 -8.655 -8.259 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.277 -8.372 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.087 -7.724 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.613 -7.340 2.209 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.163 -6.301 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.938 -4.208 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.009 -5.579 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.866 -4.978 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.515 -4.582 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.286 -5.377 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.832 -6.224 0.121 1.00 0.00 H new ATOM 902 N SER A 57 -8.506 -10.676 1.088 1.00 0.00 N ATOM 903 CA SER A 57 -8.725 -11.942 1.768 1.00 0.00 C ATOM 904 C SER A 57 -7.624 -12.935 1.392 1.00 0.00 C ATOM 905 O SER A 57 -7.160 -13.700 2.234 1.00 0.00 O ATOM 906 CB SER A 57 -10.101 -12.519 1.427 1.00 0.00 C ATOM 907 OG SER A 57 -10.376 -13.710 2.159 1.00 0.00 O ATOM 0 H SER A 57 -9.241 -10.411 0.433 1.00 0.00 H new ATOM 0 HA SER A 57 -8.692 -11.764 2.843 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.869 -11.776 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.151 -12.730 0.359 1.00 0.00 H new ATOM 0 HG SER A 57 -11.263 -14.047 1.915 1.00 0.00 H new ATOM 913 N ASP A 58 -7.239 -12.889 0.125 1.00 0.00 N ATOM 914 CA ASP A 58 -6.201 -13.776 -0.373 1.00 0.00 C ATOM 915 C ASP A 58 -4.883 -13.462 0.339 1.00 0.00 C ATOM 916 O ASP A 58 -3.960 -14.275 0.329 1.00 0.00 O ATOM 917 CB ASP A 58 -5.985 -13.581 -1.875 1.00 0.00 C ATOM 918 CG ASP A 58 -6.575 -14.680 -2.762 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.721 -15.087 -2.474 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.866 -15.089 -3.706 1.00 0.00 O ATOM 0 H ASP A 58 -7.627 -12.252 -0.571 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.515 -14.803 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.420 -12.626 -2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.914 -13.516 -2.067 1.00 0.00 H new ATOM 925 N TYR A 59 -4.839 -12.283 0.939 1.00 0.00 N ATOM 926 CA TYR A 59 -3.650 -11.853 1.655 1.00 0.00 C ATOM 927 C TYR A 59 -3.818 -12.045 3.164 1.00 0.00 C ATOM 928 O TYR A 59 -2.921 -11.716 3.939 1.00 0.00 O ATOM 929 CB TYR A 59 -3.496 -10.359 1.358 1.00 0.00 C ATOM 930 CG TYR A 59 -2.742 -10.058 0.061 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.414 -10.413 -0.063 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.390 -9.431 -0.984 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.704 -10.128 -1.283 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.680 -9.146 -2.204 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.372 -9.510 -2.294 1.00 0.00 C ATOM 936 OH TYR A 59 -0.702 -9.242 -3.446 1.00 0.00 O ATOM 0 H TYR A 59 -5.607 -11.612 0.945 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.783 -12.434 1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.486 -9.906 1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.973 -9.886 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.908 -10.904 0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.429 -9.154 -0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.336 -10.399 -1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.174 -8.654 -3.029 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.328 -9.260 -4.200 1.00 0.00 H new ATOM 946 N ASN A 60 -4.973 -12.576 3.535 1.00 0.00 N ATOM 947 CA ASN A 60 -5.271 -12.816 4.937 1.00 0.00 C ATOM 948 C ASN A 60 -5.103 -11.512 5.720 1.00 0.00 C ATOM 949 O ASN A 60 -4.441 -11.486 6.756 1.00 0.00 O ATOM 950 CB ASN A 60 -4.315 -13.851 5.533 1.00 0.00 C ATOM 951 CG ASN A 60 -4.985 -14.625 6.672 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.920 -14.163 7.304 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.455 -15.824 6.895 1.00 0.00 N ATOM 0 H ASN A 60 -5.714 -12.847 2.889 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.294 -13.187 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.994 -14.545 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.420 -13.353 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.831 -16.419 7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.672 -16.149 6.328 1.00 0.00 H new ATOM 960 N ILE A 61 -5.715 -10.461 5.195 1.00 0.00 N ATOM 961 CA ILE A 61 -5.642 -9.157 5.832 1.00 0.00 C ATOM 962 C ILE A 61 -6.619 -9.112 7.007 1.00 0.00 C ATOM 963 O ILE A 61 -7.797 -9.430 6.852 1.00 0.00 O ATOM 964 CB ILE A 61 -5.865 -8.046 4.804 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.617 -7.833 3.945 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.320 -6.752 5.484 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.929 -6.958 2.730 1.00 0.00 C ATOM 0 H ILE A 61 -6.264 -10.486 4.336 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.645 -8.988 6.240 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.667 -8.358 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.835 -7.365 4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.231 -8.797 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.471 -5.979 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.255 -6.929 6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.558 -6.425 6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.024 -6.823 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.693 -7.440 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.292 -5.986 3.065 1.00 0.00 H new ATOM 979 N GLN A 62 -6.095 -8.715 8.158 1.00 0.00 N ATOM 980 CA GLN A 62 -6.906 -8.625 9.359 1.00 0.00 C ATOM 981 C GLN A 62 -7.433 -7.200 9.539 1.00 0.00 C ATOM 982 O GLN A 62 -6.844 -6.249 9.029 1.00 0.00 O ATOM 983 CB GLN A 62 -6.117 -9.077 10.589 1.00 0.00 C ATOM 984 CG GLN A 62 -5.238 -10.286 10.263 1.00 0.00 C ATOM 985 CD GLN A 62 -6.081 -11.555 10.124 1.00 0.00 C ATOM 986 OE1 GLN A 62 -7.130 -11.570 9.501 1.00 0.00 O ATOM 987 NE2 GLN A 62 -5.565 -12.618 10.736 1.00 0.00 N ATOM 0 H GLN A 62 -5.118 -8.452 8.283 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.758 -9.295 9.248 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.495 -8.257 10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.806 -9.331 11.395 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.692 -10.104 9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.495 -10.423 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.682 -12.537 11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.052 -13.513 10.700 1.00 0.00 H new ATOM 996 N LYS A 63 -8.536 -7.098 10.265 1.00 0.00 N ATOM 997 CA LYS A 63 -9.149 -5.805 10.517 1.00 0.00 C ATOM 998 C LYS A 63 -8.083 -4.831 11.024 1.00 0.00 C ATOM 999 O LYS A 63 -7.310 -5.163 11.923 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.345 -5.953 11.460 1.00 0.00 C ATOM 1001 CG LYS A 63 -11.252 -7.103 11.018 1.00 0.00 C ATOM 1002 CD LYS A 63 -11.371 -8.161 12.116 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.274 -9.572 11.531 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.555 -10.471 12.462 1.00 0.00 N ATOM 0 H LYS A 63 -9.021 -7.890 10.687 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.551 -5.387 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.992 -6.133 12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.914 -5.023 11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.241 -6.717 10.772 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.853 -7.558 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.582 -8.015 12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.321 -8.044 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.274 -9.962 11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.755 -9.540 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.498 -11.424 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.595 -10.106 12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.066 -10.515 13.366 1.00 0.00 H new ATOM 1018 N GLU A 64 -8.076 -3.648 10.428 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.118 -2.624 10.808 1.00 0.00 C ATOM 1020 C GLU A 64 -5.690 -3.153 10.662 1.00 0.00 C ATOM 1021 O GLU A 64 -4.911 -3.123 11.615 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.377 -2.132 12.233 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.877 -2.027 12.512 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.162 -0.985 13.596 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.179 -0.374 14.066 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.356 -0.825 13.929 1.00 0.00 O ATOM 0 H GLU A 64 -8.719 -3.376 9.684 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.240 -1.773 10.137 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.918 -2.816 12.947 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.908 -1.159 12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.403 -1.757 11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.261 -2.998 12.826 1.00 0.00 H new ATOM 1033 N SER A 65 -5.387 -3.627 9.462 1.00 0.00 N ATOM 1034 CA SER A 65 -4.067 -4.161 9.179 1.00 0.00 C ATOM 1035 C SER A 65 -3.059 -3.018 9.034 1.00 0.00 C ATOM 1036 O SER A 65 -3.445 -1.854 8.939 1.00 0.00 O ATOM 1037 CB SER A 65 -4.079 -5.020 7.912 1.00 0.00 C ATOM 1038 OG SER A 65 -4.554 -6.339 8.167 1.00 0.00 O ATOM 0 H SER A 65 -6.035 -3.652 8.674 1.00 0.00 H new ATOM 0 HA SER A 65 -3.770 -4.796 10.014 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.709 -4.547 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.072 -5.071 7.499 1.00 0.00 H new ATOM 0 HG SER A 65 -5.256 -6.308 8.850 1.00 0.00 H new ATOM 1044 N THR A 66 -1.787 -3.391 9.022 1.00 0.00 N ATOM 1045 CA THR A 66 -0.721 -2.412 8.890 1.00 0.00 C ATOM 1046 C THR A 66 -0.100 -2.485 7.494 1.00 0.00 C ATOM 1047 O THR A 66 0.750 -3.335 7.233 1.00 0.00 O ATOM 1048 CB THR A 66 0.284 -2.654 10.017 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.350 -2.111 11.172 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.553 -1.815 9.859 1.00 0.00 C ATOM 0 H THR A 66 -1.471 -4.358 9.102 1.00 0.00 H new ATOM 0 HA THR A 66 -1.102 -1.395 8.988 1.00 0.00 H new ATOM 0 HB THR A 66 0.549 -3.711 10.046 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.234 -2.227 11.951 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.233 -2.025 10.685 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.039 -2.065 8.916 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.292 -0.757 9.863 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.547 -1.582 6.634 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.045 -1.534 5.271 1.00 0.00 C ATOM 1060 C LEU A 67 0.884 -0.327 5.117 1.00 0.00 C ATOM 1061 O LEU A 67 0.662 0.715 5.733 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.204 -1.548 4.272 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.097 -2.790 4.300 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.200 -2.650 5.351 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.664 -3.088 2.910 1.00 0.00 C ATOM 0 H LEU A 67 -1.251 -0.878 6.854 1.00 0.00 H new ATOM 0 HA LEU A 67 0.546 -2.423 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.827 -0.673 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.794 -1.442 3.268 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.485 -3.644 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.820 -3.547 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.750 -2.521 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.817 -1.782 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.295 -3.975 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.256 -2.239 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.845 -3.262 2.213 1.00 0.00 H new ATOM 1077 N HIS A 68 1.905 -0.509 4.293 1.00 0.00 N ATOM 1078 CA HIS A 68 2.868 0.551 4.051 1.00 0.00 C ATOM 1079 C HIS A 68 2.653 1.130 2.651 1.00 0.00 C ATOM 1080 O HIS A 68 2.831 0.434 1.653 1.00 0.00 O ATOM 1081 CB HIS A 68 4.297 0.048 4.271 1.00 0.00 C ATOM 1082 CG HIS A 68 4.946 0.574 5.529 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.795 1.668 5.532 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.862 0.148 6.821 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.199 1.880 6.776 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.619 0.936 7.574 1.00 0.00 N ATOM 0 H HIS A 68 2.086 -1.375 3.785 1.00 0.00 H new ATOM 0 HA HIS A 68 2.714 1.357 4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.286 -1.041 4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.907 0.332 3.414 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.278 -0.690 7.173 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.869 2.662 7.101 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.747 0.851 8.582 1.00 0.00 H new ATOM 1094 N LEU A 69 2.274 2.399 2.624 1.00 0.00 N ATOM 1095 CA LEU A 69 2.032 3.081 1.362 1.00 0.00 C ATOM 1096 C LEU A 69 3.265 3.905 0.989 1.00 0.00 C ATOM 1097 O LEU A 69 3.546 4.926 1.616 1.00 0.00 O ATOM 1098 CB LEU A 69 0.742 3.900 1.435 1.00 0.00 C ATOM 1099 CG LEU A 69 0.739 5.217 0.657 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.945 4.970 -0.839 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.534 6.017 0.936 1.00 0.00 C ATOM 0 H LEU A 69 2.128 2.973 3.454 1.00 0.00 H new ATOM 0 HA LEU A 69 1.878 2.358 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.078 3.283 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.533 4.119 2.482 1.00 0.00 H new ATOM 0 HG LEU A 69 1.579 5.820 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.939 5.922 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.902 4.473 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.141 4.339 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.510 6.948 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.404 5.433 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.597 6.241 2.001 1.00 0.00 H new ATOM 1113 N VAL A 70 3.967 3.434 -0.031 1.00 0.00 N ATOM 1114 CA VAL A 70 5.163 4.116 -0.495 1.00 0.00 C ATOM 1115 C VAL A 70 4.923 4.654 -1.906 1.00 0.00 C ATOM 1116 O VAL A 70 4.120 4.101 -2.657 1.00 0.00 O ATOM 1117 CB VAL A 70 6.367 3.175 -0.411 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.639 3.867 -0.907 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.551 2.646 1.013 1.00 0.00 C ATOM 0 H VAL A 70 3.730 2.588 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 70 5.388 4.970 0.144 1.00 0.00 H new ATOM 0 HB VAL A 70 6.173 2.323 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.480 3.177 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.506 4.172 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.838 4.745 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.413 1.980 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.713 3.482 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.658 2.099 1.316 1.00 0.00 H new ATOM 1129 N LEU A 71 5.633 5.725 -2.226 1.00 0.00 N ATOM 1130 CA LEU A 71 5.507 6.345 -3.534 1.00 0.00 C ATOM 1131 C LEU A 71 6.377 5.587 -4.539 1.00 0.00 C ATOM 1132 O LEU A 71 7.026 4.603 -4.185 1.00 0.00 O ATOM 1133 CB LEU A 71 5.822 7.840 -3.452 1.00 0.00 C ATOM 1134 CG LEU A 71 4.749 8.782 -4.002 1.00 0.00 C ATOM 1135 CD1 LEU A 71 4.308 9.791 -2.939 1.00 0.00 C ATOM 1136 CD2 LEU A 71 5.227 9.471 -5.282 1.00 0.00 C ATOM 0 H LEU A 71 6.299 6.180 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 71 4.478 6.279 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.002 8.097 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.751 8.026 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 71 3.874 8.187 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.545 10.448 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.899 9.259 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.166 10.385 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.445 10.135 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.125 10.051 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.452 8.719 -6.038 1.00 0.00 H new ATOM 1148 N ARG A 72 6.364 6.074 -5.771 1.00 0.00 N ATOM 1149 CA ARG A 72 7.145 5.455 -6.829 1.00 0.00 C ATOM 1150 C ARG A 72 8.545 6.068 -6.883 1.00 0.00 C ATOM 1151 O ARG A 72 8.822 7.054 -6.202 1.00 0.00 O ATOM 1152 CB ARG A 72 6.465 5.629 -8.188 1.00 0.00 C ATOM 1153 CG ARG A 72 6.430 4.308 -8.958 1.00 0.00 C ATOM 1154 CD ARG A 72 6.810 4.516 -10.425 1.00 0.00 C ATOM 1155 NE ARG A 72 6.788 3.222 -11.143 1.00 0.00 N ATOM 1156 CZ ARG A 72 7.675 2.237 -10.944 1.00 0.00 C ATOM 1157 NH1 ARG A 72 8.659 2.393 -10.050 1.00 0.00 N ATOM 1158 NH2 ARG A 72 7.576 1.097 -11.641 1.00 0.00 N ATOM 0 H ARG A 72 5.825 6.890 -6.060 1.00 0.00 H new ATOM 0 HA ARG A 72 7.220 4.390 -6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.449 5.998 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.998 6.380 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.117 3.597 -8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.432 3.873 -8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.115 5.213 -10.894 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.802 4.962 -10.492 1.00 0.00 H new ATOM 0 HE ARG A 72 6.052 3.070 -11.832 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.734 3.261 -9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.334 1.643 -9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.826 0.979 -12.322 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.251 0.347 -11.490 1.00 0.00 H new ATOM 1172 N LEU A 73 9.392 5.458 -7.700 1.00 0.00 N ATOM 1173 CA LEU A 73 10.757 5.932 -7.852 1.00 0.00 C ATOM 1174 C LEU A 73 10.770 7.144 -8.785 1.00 0.00 C ATOM 1175 O LEU A 73 11.093 8.254 -8.363 1.00 0.00 O ATOM 1176 CB LEU A 73 11.671 4.793 -8.310 1.00 0.00 C ATOM 1177 CG LEU A 73 12.839 5.194 -9.215 1.00 0.00 C ATOM 1178 CD1 LEU A 73 13.751 6.203 -8.518 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.608 3.961 -9.694 1.00 0.00 C ATOM 0 H LEU A 73 9.159 4.640 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 73 11.155 6.263 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.075 4.300 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.065 4.056 -8.837 1.00 0.00 H new ATOM 0 HG LEU A 73 12.434 5.685 -10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.572 6.471 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.180 7.097 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.152 5.761 -7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.433 4.273 -10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.002 3.421 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.938 3.310 -10.255 1.00 0.00 H new ATOM 1191 N ARG A 74 10.416 6.892 -10.036 1.00 0.00 N ATOM 1192 CA ARG A 74 10.383 7.950 -11.032 1.00 0.00 C ATOM 1193 C ARG A 74 8.999 8.601 -11.070 1.00 0.00 C ATOM 1194 O ARG A 74 8.258 8.549 -10.090 1.00 0.00 O ATOM 1195 CB ARG A 74 10.722 7.407 -12.423 1.00 0.00 C ATOM 1196 CG ARG A 74 11.798 8.261 -13.097 1.00 0.00 C ATOM 1197 CD ARG A 74 11.216 9.045 -14.275 1.00 0.00 C ATOM 1198 NE ARG A 74 12.162 9.028 -15.412 1.00 0.00 N ATOM 1199 CZ ARG A 74 12.225 8.046 -16.322 1.00 0.00 C ATOM 1200 NH1 ARG A 74 11.398 6.996 -16.233 1.00 0.00 N ATOM 1201 NH2 ARG A 74 13.117 8.114 -17.320 1.00 0.00 N ATOM 0 H ARG A 74 10.149 5.971 -10.383 1.00 0.00 H new ATOM 0 HA ARG A 74 11.130 8.693 -10.752 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.069 6.377 -12.341 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.824 7.393 -13.041 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.226 8.952 -12.371 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.609 7.622 -13.446 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.264 8.609 -14.577 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.015 10.073 -13.974 1.00 0.00 H new ATOM 0 HE ARG A 74 12.807 9.812 -15.510 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.720 6.944 -15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.446 6.249 -16.926 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.748 8.913 -17.387 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.165 7.367 -18.013 1.00 0.00 H new ATOM 1215 N GLY A 75 8.693 9.200 -12.211 1.00 0.00 N ATOM 1216 CA GLY A 75 7.411 9.861 -12.389 1.00 0.00 C ATOM 1217 C GLY A 75 6.611 9.210 -13.520 1.00 0.00 C ATOM 1218 O GLY A 75 7.006 9.278 -14.683 1.00 0.00 O ATOM 0 H GLY A 75 9.311 9.242 -13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.841 9.813 -11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.570 10.916 -12.611 1.00 0.00 H new ATOM 1222 N GLY A 76 5.502 8.595 -13.138 1.00 0.00 N ATOM 1223 CA GLY A 76 4.642 7.934 -14.105 1.00 0.00 C ATOM 1224 C GLY A 76 4.585 6.427 -13.847 1.00 0.00 C ATOM 1225 O GLY A 76 3.512 5.874 -13.611 1.00 0.00 O ATOM 0 H GLY A 76 5.179 8.540 -12.172 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.638 8.354 -14.051 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.012 8.120 -15.113 1.00 0.00 H new TER 1229 GLY A 76