USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -55:sc= 0.268 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.721 K(o=0.99,f=-3.4!) USER MOD Set 2.1: A 7 THR OG1 : rot -65:sc= 0.115 USER MOD Set 2.2: A 9 THR OG1 : rot -66:sc= 0.121 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.529 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.97) 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 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= -2.08! (180deg=-4.14!) USER MOD Single : A 29 LYS NZ :NH3+ -100:sc= 0.0248 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= -11.2! C(o=-11!,f=-17!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0988 X(o=-0.099,f=0) USER MOD Single : A 55 THR OG1 : rot -82:sc= -0.0959! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.627 USER MOD Single : A 60 ASN : amide:sc= -2.21! C(o=-2.2!,f=-2.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 97:sc= 0.987 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.976 -20.637 -2.146 1.00 0.00 N ATOM 2 CA MET A 1 3.871 -19.634 -3.238 1.00 0.00 C ATOM 3 C MET A 1 4.465 -18.294 -2.817 1.00 0.00 C ATOM 4 O MET A 1 4.060 -17.712 -1.812 1.00 0.00 O ATOM 5 CB MET A 1 2.394 -19.466 -3.604 1.00 0.00 C ATOM 6 CG MET A 1 2.088 -18.159 -4.314 1.00 0.00 C ATOM 7 SD MET A 1 1.379 -16.919 -3.212 1.00 0.00 S ATOM 8 CE MET A 1 -0.354 -17.027 -3.652 1.00 0.00 C ATOM 0 H1 MET A 1 3.564 -21.538 -2.462 1.00 0.00 H new ATOM 0 H2 MET A 1 4.977 -20.781 -1.902 1.00 0.00 H new ATOM 0 H3 MET A 1 3.461 -20.295 -1.310 1.00 0.00 H new ATOM 0 HA MET A 1 4.436 -19.985 -4.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.090 -20.296 -4.242 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.794 -19.525 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.004 -17.766 -4.755 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.396 -18.349 -5.134 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.960 -16.608 -2.849 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.532 -16.468 -4.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.626 -18.071 -3.805 1.00 0.00 H new ATOM 20 N GLN A 2 5.429 -17.811 -3.595 1.00 0.00 N ATOM 21 CA GLN A 2 6.081 -16.540 -3.303 1.00 0.00 C ATOM 22 C GLN A 2 5.448 -15.406 -4.102 1.00 0.00 C ATOM 23 O GLN A 2 4.874 -15.630 -5.168 1.00 0.00 O ATOM 24 CB GLN A 2 7.576 -16.626 -3.617 1.00 0.00 C ATOM 25 CG GLN A 2 8.460 -16.608 -2.379 1.00 0.00 C ATOM 26 CD GLN A 2 9.715 -17.442 -2.546 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.684 -18.516 -3.147 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.827 -16.951 -2.013 1.00 0.00 N ATOM 0 H GLN A 2 5.775 -18.281 -4.432 1.00 0.00 H new ATOM 0 HA GLN A 2 5.950 -16.330 -2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.769 -17.541 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.852 -15.792 -4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.740 -15.579 -2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.892 -16.980 -1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.806 -16.056 -1.523 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.702 -17.468 -2.093 1.00 0.00 H new ATOM 37 N LEU A 3 5.557 -14.189 -3.580 1.00 0.00 N ATOM 38 CA LEU A 3 4.998 -13.018 -4.245 1.00 0.00 C ATOM 39 C LEU A 3 5.986 -11.857 -4.218 1.00 0.00 C ATOM 40 O LEU A 3 6.522 -11.510 -3.165 1.00 0.00 O ATOM 41 CB LEU A 3 3.685 -12.604 -3.576 1.00 0.00 C ATOM 42 CG LEU A 3 2.666 -13.730 -3.396 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.469 -13.243 -2.596 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.223 -14.267 -4.748 1.00 0.00 C ATOM 0 H LEU A 3 6.028 -13.988 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 3 4.800 -13.279 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.912 -12.180 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.227 -11.812 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 3 3.141 -14.540 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.754 -14.058 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.801 -12.906 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.992 -12.416 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.498 -15.068 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.765 -13.464 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.088 -14.655 -5.287 1.00 0.00 H new ATOM 56 N PHE A 4 6.223 -11.262 -5.382 1.00 0.00 N ATOM 57 CA PHE A 4 7.149 -10.140 -5.491 1.00 0.00 C ATOM 58 C PHE A 4 6.403 -8.811 -5.456 1.00 0.00 C ATOM 59 O PHE A 4 5.716 -8.448 -6.411 1.00 0.00 O ATOM 60 CB PHE A 4 7.964 -10.249 -6.781 1.00 0.00 C ATOM 61 CG PHE A 4 8.683 -11.561 -6.925 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.705 -12.474 -5.875 1.00 0.00 C ATOM 63 CD2 PHE A 4 9.336 -11.884 -8.107 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.367 -13.685 -6.004 1.00 0.00 C ATOM 65 CE2 PHE A 4 10.000 -13.095 -8.242 1.00 0.00 C ATOM 66 CZ PHE A 4 10.016 -13.995 -7.189 1.00 0.00 C ATOM 0 H PHE A 4 5.788 -11.537 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 4 7.826 -10.176 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.300 -10.112 -7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.693 -9.439 -6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.201 -12.237 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.327 -11.185 -8.930 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.377 -14.386 -5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.504 -13.335 -9.167 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.534 -14.937 -7.291 1.00 0.00 H new ATOM 76 N VAL A 5 6.544 -8.089 -4.349 1.00 0.00 N ATOM 77 CA VAL A 5 5.884 -6.800 -4.189 1.00 0.00 C ATOM 78 C VAL A 5 6.870 -5.651 -4.369 1.00 0.00 C ATOM 79 O VAL A 5 7.646 -5.340 -3.466 1.00 0.00 O ATOM 80 CB VAL A 5 5.219 -6.676 -2.805 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.253 -5.502 -2.778 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.509 -7.971 -2.437 1.00 0.00 C ATOM 0 H VAL A 5 7.110 -8.375 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 5 5.116 -6.742 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 5 5.996 -6.491 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.794 -5.431 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.794 -4.581 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.478 -5.651 -3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.045 -7.866 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.742 -8.189 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.231 -8.787 -2.411 1.00 0.00 H new ATOM 92 N LYS A 6 6.834 -5.026 -5.540 1.00 0.00 N ATOM 93 CA LYS A 6 7.724 -3.910 -5.838 1.00 0.00 C ATOM 94 C LYS A 6 7.053 -2.580 -5.519 1.00 0.00 C ATOM 95 O LYS A 6 5.835 -2.442 -5.643 1.00 0.00 O ATOM 96 CB LYS A 6 8.142 -3.945 -7.310 1.00 0.00 C ATOM 97 CG LYS A 6 6.993 -3.707 -8.275 1.00 0.00 C ATOM 98 CD LYS A 6 7.206 -2.444 -9.094 1.00 0.00 C ATOM 99 CE LYS A 6 7.901 -2.747 -10.412 1.00 0.00 C ATOM 100 NZ LYS A 6 7.363 -1.918 -11.527 1.00 0.00 N ATOM 0 H LYS A 6 6.198 -5.273 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 6 8.612 -4.007 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.910 -3.190 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.594 -4.913 -7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.894 -4.563 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.059 -3.628 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.245 -1.969 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.802 -1.734 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.971 -2.566 -10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.778 -3.803 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.863 -2.154 -12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.347 -2.109 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.503 -0.911 -11.309 1.00 0.00 H new ATOM 114 N THR A 7 7.851 -1.602 -5.105 1.00 0.00 N ATOM 115 CA THR A 7 7.332 -0.282 -4.766 1.00 0.00 C ATOM 116 C THR A 7 7.677 0.736 -5.848 1.00 0.00 C ATOM 117 O THR A 7 8.233 0.387 -6.890 1.00 0.00 O ATOM 118 CB THR A 7 7.892 0.179 -3.420 1.00 0.00 C ATOM 119 OG1 THR A 7 9.292 0.379 -3.499 1.00 0.00 O ATOM 120 CG2 THR A 7 7.632 -0.802 -2.297 1.00 0.00 C ATOM 0 H THR A 7 8.861 -1.698 -4.996 1.00 0.00 H new ATOM 0 HA THR A 7 6.247 -0.355 -4.696 1.00 0.00 H new ATOM 0 HB THR A 7 7.373 1.111 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.735 -0.477 -3.673 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.055 -0.414 -1.370 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.558 -0.940 -2.176 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.096 -1.759 -2.535 1.00 0.00 H new ATOM 128 N LEU A 8 7.343 1.998 -5.595 1.00 0.00 N ATOM 129 CA LEU A 8 7.616 3.068 -6.546 1.00 0.00 C ATOM 130 C LEU A 8 9.084 3.477 -6.501 1.00 0.00 C ATOM 131 O LEU A 8 9.567 4.196 -7.376 1.00 0.00 O ATOM 132 CB LEU A 8 6.728 4.279 -6.251 1.00 0.00 C ATOM 133 CG LEU A 8 5.413 4.322 -7.032 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.683 4.412 -8.525 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.563 3.101 -6.713 1.00 0.00 C ATOM 0 H LEU A 8 6.882 2.304 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 8 7.393 2.696 -7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.501 4.293 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.292 5.186 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 8 4.861 5.212 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.737 4.442 -9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.251 5.318 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.256 3.541 -8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.632 3.148 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.107 2.197 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.340 3.081 -5.646 1.00 0.00 H new ATOM 147 N THR A 9 9.791 3.014 -5.475 1.00 0.00 N ATOM 148 CA THR A 9 11.205 3.332 -5.316 1.00 0.00 C ATOM 149 C THR A 9 12.077 2.286 -6.000 1.00 0.00 C ATOM 150 O THR A 9 13.276 2.490 -6.190 1.00 0.00 O ATOM 151 CB THR A 9 11.566 3.422 -3.832 1.00 0.00 C ATOM 152 OG1 THR A 9 11.939 2.151 -3.329 1.00 0.00 O ATOM 153 CG2 THR A 9 10.435 3.942 -2.972 1.00 0.00 C ATOM 0 H THR A 9 9.408 2.418 -4.742 1.00 0.00 H new ATOM 0 HA THR A 9 11.390 4.298 -5.787 1.00 0.00 H new ATOM 0 HB THR A 9 12.396 4.127 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.165 1.550 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.757 3.981 -1.931 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.156 4.942 -3.303 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.575 3.278 -3.061 1.00 0.00 H new ATOM 161 N GLY A 10 11.468 1.164 -6.368 1.00 0.00 N ATOM 162 CA GLY A 10 12.203 0.102 -7.028 1.00 0.00 C ATOM 163 C GLY A 10 12.329 -1.138 -6.163 1.00 0.00 C ATOM 164 O GLY A 10 12.000 -2.241 -6.597 1.00 0.00 O ATOM 0 H GLY A 10 10.477 0.971 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.702 -0.158 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.198 0.461 -7.291 1.00 0.00 H new ATOM 168 N LYS A 11 12.806 -0.954 -4.937 1.00 0.00 N ATOM 169 CA LYS A 11 12.975 -2.066 -4.007 1.00 0.00 C ATOM 170 C LYS A 11 11.817 -3.051 -4.122 1.00 0.00 C ATOM 171 O LYS A 11 10.650 -2.659 -4.106 1.00 0.00 O ATOM 172 CB LYS A 11 13.077 -1.547 -2.572 1.00 0.00 C ATOM 173 CG LYS A 11 14.461 -1.035 -2.209 1.00 0.00 C ATOM 174 CD LYS A 11 14.567 -0.719 -0.726 1.00 0.00 C ATOM 175 CE LYS A 11 15.422 -1.743 0.001 1.00 0.00 C ATOM 176 NZ LYS A 11 15.882 -1.244 1.327 1.00 0.00 N ATOM 0 H LYS A 11 13.083 -0.046 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 11 13.898 -2.586 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.353 -0.744 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.802 -2.347 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.208 -1.782 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.683 -0.140 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.996 0.274 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.570 -0.697 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.851 -2.661 0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.287 -1.994 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.462 -1.973 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.449 -0.382 1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.057 -1.029 1.922 1.00 0.00 H new ATOM 190 N THR A 12 12.148 -4.333 -4.242 1.00 0.00 N ATOM 191 CA THR A 12 11.135 -5.375 -4.360 1.00 0.00 C ATOM 192 C THR A 12 11.146 -6.287 -3.138 1.00 0.00 C ATOM 193 O THR A 12 12.204 -6.726 -2.688 1.00 0.00 O ATOM 194 CB THR A 12 11.369 -6.199 -5.627 1.00 0.00 C ATOM 195 OG1 THR A 12 11.535 -5.354 -6.752 1.00 0.00 O ATOM 196 CG2 THR A 12 10.238 -7.157 -5.935 1.00 0.00 C ATOM 0 H THR A 12 13.109 -4.675 -4.260 1.00 0.00 H new ATOM 0 HA THR A 12 10.159 -4.893 -4.422 1.00 0.00 H new ATOM 0 HB THR A 12 12.272 -6.778 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.685 -5.900 -7.552 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.468 -7.710 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.117 -7.855 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.314 -6.596 -6.074 1.00 0.00 H new ATOM 204 N LEU A 13 9.960 -6.569 -2.607 1.00 0.00 N ATOM 205 CA LEU A 13 9.834 -7.431 -1.438 1.00 0.00 C ATOM 206 C LEU A 13 9.526 -8.866 -1.852 1.00 0.00 C ATOM 207 O LEU A 13 9.061 -9.116 -2.963 1.00 0.00 O ATOM 208 CB LEU A 13 8.734 -6.909 -0.510 1.00 0.00 C ATOM 209 CG LEU A 13 9.220 -6.011 0.630 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.117 -5.812 1.658 1.00 0.00 C ATOM 211 CD2 LEU A 13 10.461 -6.601 1.282 1.00 0.00 C ATOM 0 H LEU A 13 9.074 -6.214 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 13 10.785 -7.421 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.010 -6.354 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.207 -7.761 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 13 9.482 -5.038 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.480 -5.171 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.256 -5.344 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.824 -6.778 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.792 -5.949 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.227 -7.587 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.254 -6.691 0.540 1.00 0.00 H new ATOM 223 N THR A 14 9.789 -9.807 -0.950 1.00 0.00 N ATOM 224 CA THR A 14 9.539 -11.217 -1.223 1.00 0.00 C ATOM 225 C THR A 14 8.819 -11.879 -0.052 1.00 0.00 C ATOM 226 O THR A 14 9.421 -12.148 0.988 1.00 0.00 O ATOM 227 CB THR A 14 10.854 -11.945 -1.504 1.00 0.00 C ATOM 228 OG1 THR A 14 11.691 -11.163 -2.337 1.00 0.00 O ATOM 229 CG2 THR A 14 10.662 -13.287 -2.177 1.00 0.00 C ATOM 0 H THR A 14 10.175 -9.618 -0.025 1.00 0.00 H new ATOM 0 HA THR A 14 8.900 -11.282 -2.104 1.00 0.00 H new ATOM 0 HB THR A 14 11.309 -12.108 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.528 -11.645 -2.504 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.634 -13.751 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.060 -13.932 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.154 -13.146 -3.131 1.00 0.00 H new ATOM 237 N VAL A 15 7.528 -12.141 -0.228 1.00 0.00 N ATOM 238 CA VAL A 15 6.729 -12.772 0.813 1.00 0.00 C ATOM 239 C VAL A 15 6.128 -14.084 0.320 1.00 0.00 C ATOM 240 O VAL A 15 5.803 -14.224 -0.859 1.00 0.00 O ATOM 241 CB VAL A 15 5.592 -11.848 1.290 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.138 -10.748 2.187 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.848 -11.258 0.102 1.00 0.00 C ATOM 0 H VAL A 15 7.014 -11.926 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 15 7.399 -12.970 1.650 1.00 0.00 H new ATOM 0 HB VAL A 15 4.887 -12.442 1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.320 -10.106 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.619 -11.194 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.866 -10.155 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.049 -10.608 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.540 -10.679 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.421 -12.063 -0.496 1.00 0.00 H new ATOM 253 N GLU A 16 5.982 -15.041 1.230 1.00 0.00 N ATOM 254 CA GLU A 16 5.419 -16.341 0.884 1.00 0.00 C ATOM 255 C GLU A 16 3.997 -16.474 1.413 1.00 0.00 C ATOM 256 O GLU A 16 3.773 -16.502 2.623 1.00 0.00 O ATOM 257 CB GLU A 16 6.292 -17.470 1.441 1.00 0.00 C ATOM 258 CG GLU A 16 7.482 -16.981 2.253 1.00 0.00 C ATOM 259 CD GLU A 16 7.116 -16.659 3.689 1.00 0.00 C ATOM 260 OE1 GLU A 16 5.932 -16.356 3.946 1.00 0.00 O ATOM 261 OE2 GLU A 16 8.014 -16.710 4.555 1.00 0.00 O ATOM 0 H GLU A 16 6.245 -14.941 2.210 1.00 0.00 H new ATOM 0 HA GLU A 16 5.394 -16.418 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.678 -18.117 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.654 -18.079 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.262 -17.743 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.899 -16.092 1.780 1.00 0.00 H new ATOM 268 N LEU A 17 3.039 -16.556 0.496 1.00 0.00 N ATOM 269 CA LEU A 17 1.638 -16.686 0.869 1.00 0.00 C ATOM 270 C LEU A 17 0.944 -17.749 0.026 1.00 0.00 C ATOM 271 O LEU A 17 1.563 -18.382 -0.828 1.00 0.00 O ATOM 272 CB LEU A 17 0.920 -15.350 0.705 1.00 0.00 C ATOM 273 CG LEU A 17 0.757 -14.549 1.995 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.335 -13.158 1.823 1.00 0.00 C ATOM 275 CD2 LEU A 17 -0.705 -14.474 2.394 1.00 0.00 C ATOM 0 H LEU A 17 3.208 -16.535 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 17 1.596 -16.991 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.469 -14.744 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.067 -15.533 0.280 1.00 0.00 H new ATOM 0 HG LEU A 17 1.302 -15.056 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.213 -12.596 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.395 -13.232 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.813 -12.644 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.802 -13.900 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.274 -13.988 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.091 -15.481 2.552 1.00 0.00 H new ATOM 287 N GLU A 18 -0.348 -17.933 0.271 1.00 0.00 N ATOM 288 CA GLU A 18 -1.136 -18.912 -0.464 1.00 0.00 C ATOM 289 C GLU A 18 -2.326 -18.244 -1.141 1.00 0.00 C ATOM 290 O GLU A 18 -2.732 -17.145 -0.762 1.00 0.00 O ATOM 291 CB GLU A 18 -1.620 -20.013 0.480 1.00 0.00 C ATOM 292 CG GLU A 18 -0.513 -20.942 0.948 1.00 0.00 C ATOM 293 CD GLU A 18 -0.590 -22.314 0.308 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.421 -23.132 0.753 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.182 -22.570 -0.641 1.00 0.00 O ATOM 0 H GLU A 18 -0.873 -17.415 0.976 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.504 -19.356 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.090 -19.554 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.388 -20.601 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.453 -20.493 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.567 -21.048 2.032 1.00 0.00 H new ATOM 302 N PRO A 19 -2.906 -18.903 -2.155 1.00 0.00 N ATOM 303 CA PRO A 19 -4.059 -18.369 -2.886 1.00 0.00 C ATOM 304 C PRO A 19 -5.307 -18.283 -2.012 1.00 0.00 C ATOM 305 O PRO A 19 -6.338 -17.763 -2.437 1.00 0.00 O ATOM 306 CB PRO A 19 -4.267 -19.380 -4.017 1.00 0.00 C ATOM 307 CG PRO A 19 -3.645 -20.640 -3.523 1.00 0.00 C ATOM 308 CD PRO A 19 -2.485 -20.218 -2.666 1.00 0.00 C ATOM 0 HA PRO A 19 -3.883 -17.352 -3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.326 -19.520 -4.232 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.796 -19.042 -4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.360 -21.230 -2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.311 -21.263 -4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.304 -20.925 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.562 -20.150 -3.242 1.00 0.00 H new ATOM 316 N SER A 20 -5.203 -18.796 -0.791 1.00 0.00 N ATOM 317 CA SER A 20 -6.322 -18.778 0.144 1.00 0.00 C ATOM 318 C SER A 20 -6.322 -17.500 0.978 1.00 0.00 C ATOM 319 O SER A 20 -7.362 -17.082 1.487 1.00 0.00 O ATOM 320 CB SER A 20 -6.263 -19.999 1.064 1.00 0.00 C ATOM 321 OG SER A 20 -4.932 -20.269 1.469 1.00 0.00 O ATOM 0 H SER A 20 -4.355 -19.230 -0.426 1.00 0.00 H new ATOM 0 HA SER A 20 -7.244 -18.809 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.886 -19.827 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.673 -20.867 0.548 1.00 0.00 H new ATOM 0 HG SER A 20 -4.922 -21.053 2.057 1.00 0.00 H new ATOM 327 N ASP A 21 -5.152 -16.880 1.115 1.00 0.00 N ATOM 328 CA ASP A 21 -5.030 -15.653 1.889 1.00 0.00 C ATOM 329 C ASP A 21 -5.763 -14.505 1.205 1.00 0.00 C ATOM 330 O ASP A 21 -6.197 -14.628 0.060 1.00 0.00 O ATOM 331 CB ASP A 21 -3.557 -15.291 2.081 1.00 0.00 C ATOM 332 CG ASP A 21 -2.822 -16.306 2.935 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.036 -16.312 4.165 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.034 -17.095 2.373 1.00 0.00 O ATOM 0 H ASP A 21 -4.279 -17.208 0.701 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.485 -15.821 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.073 -15.220 1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.484 -14.308 2.546 1.00 0.00 H new ATOM 339 N THR A 22 -5.896 -13.390 1.913 1.00 0.00 N ATOM 340 CA THR A 22 -6.578 -12.221 1.373 1.00 0.00 C ATOM 341 C THR A 22 -5.686 -10.987 1.444 1.00 0.00 C ATOM 342 O THR A 22 -4.662 -10.985 2.129 1.00 0.00 O ATOM 343 CB THR A 22 -7.880 -11.969 2.135 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.636 -11.214 3.309 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.588 -13.242 2.547 1.00 0.00 C ATOM 0 H THR A 22 -5.541 -13.271 2.862 1.00 0.00 H new ATOM 0 HA THR A 22 -6.809 -12.418 0.326 1.00 0.00 H new ATOM 0 HB THR A 22 -8.520 -11.424 1.441 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.964 -11.670 3.858 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.504 -12.992 3.083 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.835 -13.825 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.936 -13.827 3.196 1.00 0.00 H new ATOM 353 N VAL A 23 -6.082 -9.938 0.732 1.00 0.00 N ATOM 354 CA VAL A 23 -5.319 -8.697 0.715 1.00 0.00 C ATOM 355 C VAL A 23 -4.908 -8.292 2.125 1.00 0.00 C ATOM 356 O VAL A 23 -3.751 -7.956 2.373 1.00 0.00 O ATOM 357 CB VAL A 23 -6.123 -7.550 0.075 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.400 -6.225 0.253 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.376 -7.835 -1.397 1.00 0.00 C ATOM 0 H VAL A 23 -6.926 -9.923 0.160 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.427 -8.880 0.116 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.087 -7.480 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.984 -5.427 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.276 -6.018 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.421 -6.278 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.945 -7.015 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.423 -7.933 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.941 -8.762 -1.496 1.00 0.00 H new ATOM 369 N GLU A 24 -5.865 -8.328 3.048 1.00 0.00 N ATOM 370 CA GLU A 24 -5.600 -7.968 4.436 1.00 0.00 C ATOM 371 C GLU A 24 -4.313 -8.620 4.925 1.00 0.00 C ATOM 372 O GLU A 24 -3.428 -7.950 5.458 1.00 0.00 O ATOM 373 CB GLU A 24 -6.771 -8.385 5.327 1.00 0.00 C ATOM 374 CG GLU A 24 -7.043 -7.415 6.466 1.00 0.00 C ATOM 375 CD GLU A 24 -6.531 -7.921 7.800 1.00 0.00 C ATOM 376 OE1 GLU A 24 -5.615 -8.771 7.800 1.00 0.00 O ATOM 377 OE2 GLU A 24 -7.045 -7.470 8.844 1.00 0.00 O ATOM 0 H GLU A 24 -6.829 -8.602 2.860 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.483 -6.886 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.669 -8.475 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.568 -9.372 5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.575 -6.457 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.116 -7.236 6.537 1.00 0.00 H new ATOM 384 N ASN A 25 -4.213 -9.933 4.739 1.00 0.00 N ATOM 385 CA ASN A 25 -3.030 -10.674 5.159 1.00 0.00 C ATOM 386 C ASN A 25 -1.779 -10.100 4.505 1.00 0.00 C ATOM 387 O ASN A 25 -0.821 -9.735 5.186 1.00 0.00 O ATOM 388 CB ASN A 25 -3.174 -12.155 4.801 1.00 0.00 C ATOM 389 CG ASN A 25 -4.407 -12.782 5.421 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.470 -12.831 4.803 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.270 -13.268 6.649 1.00 0.00 N ATOM 0 H ASN A 25 -4.936 -10.504 4.301 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.934 -10.580 6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.222 -12.261 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.288 -12.695 5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.065 -13.703 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.370 -13.206 7.125 1.00 0.00 H new ATOM 398 N LEU A 26 -1.795 -10.021 3.178 1.00 0.00 N ATOM 399 CA LEU A 26 -0.663 -9.485 2.433 1.00 0.00 C ATOM 400 C LEU A 26 -0.211 -8.155 3.027 1.00 0.00 C ATOM 401 O LEU A 26 0.955 -7.986 3.387 1.00 0.00 O ATOM 402 CB LEU A 26 -1.033 -9.301 0.960 1.00 0.00 C ATOM 403 CG LEU A 26 0.055 -8.662 0.095 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.429 -9.166 0.506 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.202 -8.948 -1.378 1.00 0.00 C ATOM 0 H LEU A 26 -2.579 -10.321 2.598 1.00 0.00 H new ATOM 0 HA LEU A 26 0.160 -10.196 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.285 -10.275 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.931 -8.686 0.901 1.00 0.00 H new ATOM 0 HG LEU A 26 0.028 -7.583 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.190 -8.700 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.613 -8.911 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.471 -10.248 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.581 -8.487 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.201 -10.025 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.170 -8.537 -1.665 1.00 0.00 H new ATOM 417 N LYS A 27 -1.146 -7.215 3.133 1.00 0.00 N ATOM 418 CA LYS A 27 -0.847 -5.900 3.687 1.00 0.00 C ATOM 419 C LYS A 27 -0.243 -6.029 5.081 1.00 0.00 C ATOM 420 O LYS A 27 0.821 -5.476 5.361 1.00 0.00 O ATOM 421 CB LYS A 27 -2.115 -5.046 3.745 1.00 0.00 C ATOM 422 CG LYS A 27 -2.847 -4.954 2.416 1.00 0.00 C ATOM 423 CD LYS A 27 -2.951 -3.515 1.936 1.00 0.00 C ATOM 424 CE LYS A 27 -3.667 -3.423 0.598 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.007 -2.017 0.245 1.00 0.00 N ATOM 0 H LYS A 27 -2.116 -7.340 2.843 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.121 -5.413 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.789 -5.462 4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.852 -4.041 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.324 -5.551 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.846 -5.377 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.486 -2.921 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.952 -3.088 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.036 -3.850 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.579 -4.019 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.000 -1.966 -0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.867 -1.407 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.392 -1.695 -0.529 1.00 0.00 H new ATOM 439 N ALA A 28 -0.928 -6.764 5.951 1.00 0.00 N ATOM 440 CA ALA A 28 -0.455 -6.968 7.315 1.00 0.00 C ATOM 441 C ALA A 28 1.048 -7.212 7.337 1.00 0.00 C ATOM 442 O ALA A 28 1.765 -6.663 8.173 1.00 0.00 O ATOM 443 CB ALA A 28 -1.191 -8.132 7.961 1.00 0.00 C ATOM 0 H ALA A 28 -1.811 -7.227 5.736 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.661 -6.063 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.827 -8.272 8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.260 -7.919 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.014 -9.040 7.384 1.00 0.00 H new ATOM 449 N LYS A 29 1.521 -8.037 6.409 1.00 0.00 N ATOM 450 CA LYS A 29 2.941 -8.352 6.319 1.00 0.00 C ATOM 451 C LYS A 29 3.742 -7.119 5.914 1.00 0.00 C ATOM 452 O LYS A 29 4.780 -6.820 6.504 1.00 0.00 O ATOM 453 CB LYS A 29 3.173 -9.479 5.312 1.00 0.00 C ATOM 454 CG LYS A 29 3.046 -10.869 5.914 1.00 0.00 C ATOM 455 CD LYS A 29 3.559 -11.938 4.964 1.00 0.00 C ATOM 456 CE LYS A 29 2.705 -13.194 5.024 1.00 0.00 C ATOM 457 NZ LYS A 29 3.532 -14.430 5.095 1.00 0.00 N ATOM 0 H LYS A 29 0.941 -8.499 5.709 1.00 0.00 H new ATOM 0 HA LYS A 29 3.280 -8.680 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.457 -9.379 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.167 -9.369 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.604 -10.914 6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.002 -11.067 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.564 -11.549 3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.590 -12.186 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.050 -13.146 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.063 -13.238 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.590 -14.863 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.488 -14.189 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.096 -15.102 5.758 1.00 0.00 H new ATOM 471 N ILE A 30 3.253 -6.406 4.905 1.00 0.00 N ATOM 472 CA ILE A 30 3.922 -5.205 4.421 1.00 0.00 C ATOM 473 C ILE A 30 4.115 -4.193 5.545 1.00 0.00 C ATOM 474 O ILE A 30 5.075 -3.422 5.542 1.00 0.00 O ATOM 475 CB ILE A 30 3.131 -4.541 3.280 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.833 -5.557 2.177 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.902 -3.355 2.719 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.194 -4.948 0.948 1.00 0.00 C ATOM 0 H ILE A 30 2.395 -6.640 4.406 1.00 0.00 H new ATOM 0 HA ILE A 30 4.896 -5.517 4.044 1.00 0.00 H new ATOM 0 HB ILE A 30 2.184 -4.178 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.762 -6.049 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.174 -6.329 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.329 -2.897 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.068 -2.622 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.863 -3.695 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.012 -5.728 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.249 -4.481 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.861 -4.196 0.526 1.00 0.00 H new ATOM 490 N GLN A 31 3.197 -4.199 6.506 1.00 0.00 N ATOM 491 CA GLN A 31 3.268 -3.280 7.637 1.00 0.00 C ATOM 492 C GLN A 31 4.335 -3.723 8.631 1.00 0.00 C ATOM 493 O GLN A 31 5.004 -2.895 9.249 1.00 0.00 O ATOM 494 CB GLN A 31 1.911 -3.189 8.336 1.00 0.00 C ATOM 495 CG GLN A 31 1.927 -2.322 9.584 1.00 0.00 C ATOM 496 CD GLN A 31 0.632 -2.399 10.368 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.393 -2.849 9.853 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.670 -1.959 11.620 1.00 0.00 N ATOM 0 H GLN A 31 2.395 -4.830 6.525 1.00 0.00 H new ATOM 0 HA GLN A 31 3.538 -2.295 7.255 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.177 -2.790 7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.582 -4.193 8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.753 -2.630 10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.113 -1.286 9.299 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.541 -1.594 12.006 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.172 -1.986 12.196 1.00 0.00 H new ATOM 507 N ASP A 32 4.488 -5.034 8.782 1.00 0.00 N ATOM 508 CA ASP A 32 5.475 -5.586 9.703 1.00 0.00 C ATOM 509 C ASP A 32 6.822 -5.784 9.013 1.00 0.00 C ATOM 510 O ASP A 32 7.812 -6.135 9.655 1.00 0.00 O ATOM 511 CB ASP A 32 4.982 -6.911 10.273 1.00 0.00 C ATOM 512 CG ASP A 32 4.745 -6.845 11.770 1.00 0.00 C ATOM 513 OD1 ASP A 32 4.049 -5.911 12.220 1.00 0.00 O ATOM 514 OD2 ASP A 32 5.256 -7.727 12.491 1.00 0.00 O ATOM 0 H ASP A 32 3.942 -5.734 8.279 1.00 0.00 H new ATOM 0 HA ASP A 32 5.610 -4.874 10.517 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.056 -7.196 9.774 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.713 -7.690 10.058 1.00 0.00 H new ATOM 519 N LYS A 33 6.851 -5.559 7.703 1.00 0.00 N ATOM 520 CA LYS A 33 8.077 -5.714 6.930 1.00 0.00 C ATOM 521 C LYS A 33 8.673 -4.355 6.574 1.00 0.00 C ATOM 522 O LYS A 33 9.817 -4.058 6.920 1.00 0.00 O ATOM 523 CB LYS A 33 7.802 -6.511 5.653 1.00 0.00 C ATOM 524 CG LYS A 33 7.498 -7.978 5.905 1.00 0.00 C ATOM 525 CD LYS A 33 8.766 -8.817 5.902 1.00 0.00 C ATOM 526 CE LYS A 33 8.761 -9.832 4.770 1.00 0.00 C ATOM 527 NZ LYS A 33 8.812 -11.230 5.279 1.00 0.00 N ATOM 0 H LYS A 33 6.040 -5.269 7.156 1.00 0.00 H new ATOM 0 HA LYS A 33 8.796 -6.257 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.961 -6.059 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.667 -6.436 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.991 -8.086 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.815 -8.346 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.634 -8.165 5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.863 -9.335 6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.864 -9.698 4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.615 -9.652 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.807 -11.892 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.681 -11.366 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.984 -11.410 5.882 1.00 0.00 H new ATOM 541 N GLU A 34 7.890 -3.534 5.882 1.00 0.00 N ATOM 542 CA GLU A 34 8.340 -2.206 5.480 1.00 0.00 C ATOM 543 C GLU A 34 7.555 -1.122 6.210 1.00 0.00 C ATOM 544 O GLU A 34 7.340 -0.032 5.678 1.00 0.00 O ATOM 545 CB GLU A 34 8.187 -2.031 3.967 1.00 0.00 C ATOM 546 CG GLU A 34 9.484 -2.225 3.198 1.00 0.00 C ATOM 547 CD GLU A 34 10.336 -0.971 3.164 1.00 0.00 C ATOM 548 OE1 GLU A 34 10.084 -0.106 2.299 1.00 0.00 O ATOM 549 OE2 GLU A 34 11.254 -0.855 4.002 1.00 0.00 O ATOM 0 H GLU A 34 6.941 -3.765 5.588 1.00 0.00 H new ATOM 0 HA GLU A 34 9.392 -2.109 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.447 -2.742 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.799 -1.033 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.054 -3.035 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.254 -2.531 2.177 1.00 0.00 H new ATOM 556 N GLY A 35 7.128 -1.427 7.431 1.00 0.00 N ATOM 557 CA GLY A 35 6.371 -0.467 8.213 1.00 0.00 C ATOM 558 C GLY A 35 5.349 0.281 7.379 1.00 0.00 C ATOM 559 O GLY A 35 5.073 1.453 7.630 1.00 0.00 O ATOM 0 H GLY A 35 7.293 -2.321 7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.863 -0.985 9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.057 0.247 8.669 1.00 0.00 H new ATOM 563 N ILE A 36 4.788 -0.399 6.383 1.00 0.00 N ATOM 564 CA ILE A 36 3.792 0.209 5.510 1.00 0.00 C ATOM 565 C ILE A 36 2.378 -0.167 5.940 1.00 0.00 C ATOM 566 O ILE A 36 1.955 -1.313 5.788 1.00 0.00 O ATOM 567 CB ILE A 36 3.997 -0.213 4.043 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.486 -0.226 3.693 1.00 0.00 C ATOM 569 CG2 ILE A 36 3.238 0.722 3.114 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.760 -0.432 2.219 1.00 0.00 C ATOM 0 H ILE A 36 5.007 -1.370 6.162 1.00 0.00 H new ATOM 0 HA ILE A 36 3.919 1.288 5.592 1.00 0.00 H new ATOM 0 HB ILE A 36 3.606 -1.222 3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.933 0.717 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.977 -1.017 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.392 0.412 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.174 0.685 3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.603 1.741 3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.836 -0.430 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.343 -1.388 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.299 0.373 1.647 1.00 0.00 H new ATOM 582 N PRO A 37 1.629 0.801 6.488 1.00 0.00 N ATOM 583 CA PRO A 37 0.254 0.582 6.948 1.00 0.00 C ATOM 584 C PRO A 37 -0.706 0.311 5.793 1.00 0.00 C ATOM 585 O PRO A 37 -0.607 0.928 4.733 1.00 0.00 O ATOM 586 CB PRO A 37 -0.115 1.899 7.650 1.00 0.00 C ATOM 587 CG PRO A 37 1.177 2.626 7.833 1.00 0.00 C ATOM 588 CD PRO A 37 2.060 2.184 6.704 1.00 0.00 C ATOM 0 HA PRO A 37 0.182 -0.292 7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.813 2.483 7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.599 1.711 8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.025 3.705 7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.626 2.388 8.797 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.918 2.797 5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.116 2.244 6.967 1.00 0.00 H new ATOM 596 N PRO A 38 -1.650 -0.620 5.989 1.00 0.00 N ATOM 597 CA PRO A 38 -2.636 -0.978 4.963 1.00 0.00 C ATOM 598 C PRO A 38 -3.447 0.227 4.498 1.00 0.00 C ATOM 599 O PRO A 38 -3.899 0.279 3.355 1.00 0.00 O ATOM 600 CB PRO A 38 -3.543 -1.991 5.670 1.00 0.00 C ATOM 601 CG PRO A 38 -2.719 -2.527 6.791 1.00 0.00 C ATOM 602 CD PRO A 38 -1.831 -1.396 7.225 1.00 0.00 C ATOM 0 HA PRO A 38 -2.161 -1.370 4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.452 -1.517 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.852 -2.786 4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.350 -2.866 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.129 -3.385 6.467 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.294 -0.799 8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.880 -1.758 7.617 1.00 0.00 H new ATOM 610 N ASP A 39 -3.626 1.194 5.393 1.00 0.00 N ATOM 611 CA ASP A 39 -4.381 2.399 5.075 1.00 0.00 C ATOM 612 C ASP A 39 -3.738 3.156 3.919 1.00 0.00 C ATOM 613 O ASP A 39 -4.426 3.792 3.120 1.00 0.00 O ATOM 614 CB ASP A 39 -4.473 3.306 6.305 1.00 0.00 C ATOM 615 CG ASP A 39 -5.885 3.794 6.560 1.00 0.00 C ATOM 616 OD1 ASP A 39 -6.716 3.722 5.630 1.00 0.00 O ATOM 617 OD2 ASP A 39 -6.161 4.250 7.690 1.00 0.00 O ATOM 0 H ASP A 39 -3.258 1.166 6.344 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.385 2.100 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.116 2.764 7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.814 4.164 6.170 1.00 0.00 H new ATOM 622 N GLN A 40 -2.414 3.085 3.835 1.00 0.00 N ATOM 623 CA GLN A 40 -1.676 3.763 2.777 1.00 0.00 C ATOM 624 C GLN A 40 -1.099 2.758 1.784 1.00 0.00 C ATOM 625 O GLN A 40 -0.103 3.033 1.115 1.00 0.00 O ATOM 626 CB GLN A 40 -0.552 4.611 3.376 1.00 0.00 C ATOM 627 CG GLN A 40 -0.899 5.204 4.732 1.00 0.00 C ATOM 628 CD GLN A 40 0.324 5.684 5.491 1.00 0.00 C ATOM 629 OE1 GLN A 40 1.459 5.441 5.080 1.00 0.00 O ATOM 630 NE2 GLN A 40 0.095 6.368 6.607 1.00 0.00 N ATOM 0 H GLN A 40 -1.830 2.564 4.488 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.369 4.414 2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.343 3.997 3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.309 5.419 2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.587 6.038 4.594 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.421 4.456 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.863 6.545 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.877 6.716 7.162 1.00 0.00 H new ATOM 639 N GLN A 41 -1.731 1.592 1.698 1.00 0.00 N ATOM 640 CA GLN A 41 -1.280 0.542 0.790 1.00 0.00 C ATOM 641 C GLN A 41 -2.181 0.450 -0.437 1.00 0.00 C ATOM 642 O GLN A 41 -3.396 0.291 -0.318 1.00 0.00 O ATOM 643 CB GLN A 41 -1.253 -0.805 1.511 1.00 0.00 C ATOM 644 CG GLN A 41 0.080 -1.119 2.170 1.00 0.00 C ATOM 645 CD GLN A 41 0.122 -2.519 2.749 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.149 -3.507 2.014 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.130 -2.612 4.073 1.00 0.00 N ATOM 0 H GLN A 41 -2.557 1.350 2.246 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.273 0.796 0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.035 -0.816 2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.490 -1.594 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.880 -1.007 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.270 -0.395 2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.107 -1.767 4.644 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.159 -3.529 4.520 1.00 0.00 H new ATOM 656 N ARG A 42 -1.576 0.542 -1.617 1.00 0.00 N ATOM 657 CA ARG A 42 -2.321 0.459 -2.869 1.00 0.00 C ATOM 658 C ARG A 42 -1.667 -0.542 -3.815 1.00 0.00 C ATOM 659 O ARG A 42 -0.700 -0.218 -4.505 1.00 0.00 O ATOM 660 CB ARG A 42 -2.401 1.833 -3.536 1.00 0.00 C ATOM 661 CG ARG A 42 -3.264 2.829 -2.778 1.00 0.00 C ATOM 662 CD ARG A 42 -3.157 4.224 -3.372 1.00 0.00 C ATOM 663 NE ARG A 42 -4.406 4.971 -3.245 1.00 0.00 N ATOM 664 CZ ARG A 42 -4.737 5.991 -4.029 1.00 0.00 C ATOM 665 NH1 ARG A 42 -3.914 6.383 -4.993 1.00 0.00 N ATOM 666 NH2 ARG A 42 -5.891 6.620 -3.852 1.00 0.00 N ATOM 0 H ARG A 42 -0.571 0.674 -1.733 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.332 0.119 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.394 2.239 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.797 1.715 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.304 2.502 -2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.959 2.854 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.356 4.770 -2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.885 4.150 -4.425 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.061 4.694 -2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.026 5.901 -5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.169 7.166 -5.594 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.527 6.321 -3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.143 7.403 -4.455 1.00 0.00 H new ATOM 680 N LEU A 43 -2.197 -1.760 -3.840 1.00 0.00 N ATOM 681 CA LEU A 43 -1.661 -2.809 -4.700 1.00 0.00 C ATOM 682 C LEU A 43 -2.335 -2.793 -6.066 1.00 0.00 C ATOM 683 O LEU A 43 -3.523 -3.093 -6.189 1.00 0.00 O ATOM 684 CB LEU A 43 -1.844 -4.179 -4.045 1.00 0.00 C ATOM 685 CG LEU A 43 -1.280 -4.304 -2.629 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.010 -5.762 -2.291 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.010 -3.478 -2.486 1.00 0.00 C ATOM 0 H LEU A 43 -2.997 -2.045 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.597 -2.619 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.909 -4.411 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.370 -4.932 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.020 -3.919 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.609 -5.833 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.939 -6.328 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.288 -6.172 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.377 -3.579 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.737 -3.833 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.233 -2.430 -2.687 1.00 0.00 H new ATOM 699 N ILE A 44 -1.569 -2.442 -7.094 1.00 0.00 N ATOM 700 CA ILE A 44 -2.091 -2.389 -8.453 1.00 0.00 C ATOM 701 C ILE A 44 -1.668 -3.616 -9.250 1.00 0.00 C ATOM 702 O ILE A 44 -0.829 -3.529 -10.147 1.00 0.00 O ATOM 703 CB ILE A 44 -1.612 -1.123 -9.188 1.00 0.00 C ATOM 704 CG1 ILE A 44 -1.778 0.107 -8.292 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.377 -0.948 -10.490 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.218 0.409 -7.943 1.00 0.00 C ATOM 0 H ILE A 44 -0.584 -2.190 -7.011 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.178 -2.366 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.554 -1.234 -9.424 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.214 -0.045 -7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.345 0.973 -8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.028 -0.049 -10.999 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.210 -1.815 -11.129 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.442 -0.854 -10.277 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.260 1.293 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.783 0.593 -8.857 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.650 -0.440 -7.414 1.00 0.00 H new ATOM 718 N PHE A 45 -2.254 -4.762 -8.917 1.00 0.00 N ATOM 719 CA PHE A 45 -1.937 -6.009 -9.602 1.00 0.00 C ATOM 720 C PHE A 45 -2.433 -5.981 -11.042 1.00 0.00 C ATOM 721 O PHE A 45 -3.636 -5.919 -11.295 1.00 0.00 O ATOM 722 CB PHE A 45 -2.557 -7.196 -8.861 1.00 0.00 C ATOM 723 CG PHE A 45 -2.504 -8.480 -9.636 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.299 -9.151 -9.811 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.659 -9.020 -10.191 1.00 0.00 C ATOM 726 CE1 PHE A 45 -1.247 -10.338 -10.527 1.00 0.00 C ATOM 727 CE2 PHE A 45 -3.612 -10.207 -10.907 1.00 0.00 C ATOM 728 CZ PHE A 45 -2.405 -10.866 -11.075 1.00 0.00 C ATOM 0 H PHE A 45 -2.950 -4.852 -8.177 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.853 -6.121 -9.612 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.039 -7.332 -7.912 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.596 -6.965 -8.627 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.394 -8.744 -9.385 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.602 -8.510 -10.063 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.305 -10.850 -10.657 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.516 -10.617 -11.333 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.367 -11.790 -11.632 1.00 0.00 H new ATOM 738 N ALA A 46 -1.497 -6.026 -11.985 1.00 0.00 N ATOM 739 CA ALA A 46 -1.838 -6.005 -13.401 1.00 0.00 C ATOM 740 C ALA A 46 -2.666 -4.773 -13.749 1.00 0.00 C ATOM 741 O ALA A 46 -3.393 -4.761 -14.742 1.00 0.00 O ATOM 742 CB ALA A 46 -2.590 -7.273 -13.781 1.00 0.00 C ATOM 0 H ALA A 46 -0.497 -6.077 -11.793 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.911 -5.960 -13.972 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.839 -7.244 -14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.964 -8.142 -13.578 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.507 -7.342 -13.195 1.00 0.00 H new ATOM 748 N GLY A 47 -2.551 -3.736 -12.925 1.00 0.00 N ATOM 749 CA GLY A 47 -3.293 -2.514 -13.164 1.00 0.00 C ATOM 750 C GLY A 47 -4.580 -2.446 -12.364 1.00 0.00 C ATOM 751 O GLY A 47 -5.268 -1.426 -12.370 1.00 0.00 O ATOM 0 H GLY A 47 -1.957 -3.721 -12.096 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.667 -1.658 -12.911 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.525 -2.436 -14.226 1.00 0.00 H new ATOM 755 N LYS A 48 -4.906 -3.534 -11.674 1.00 0.00 N ATOM 756 CA LYS A 48 -6.118 -3.591 -10.868 1.00 0.00 C ATOM 757 C LYS A 48 -5.802 -3.394 -9.388 1.00 0.00 C ATOM 758 O LYS A 48 -4.855 -3.980 -8.863 1.00 0.00 O ATOM 759 CB LYS A 48 -6.833 -4.927 -11.074 1.00 0.00 C ATOM 760 CG LYS A 48 -8.330 -4.788 -11.297 1.00 0.00 C ATOM 761 CD LYS A 48 -8.839 -5.799 -12.313 1.00 0.00 C ATOM 762 CE LYS A 48 -8.867 -7.205 -11.735 1.00 0.00 C ATOM 763 NZ LYS A 48 -10.258 -7.694 -11.531 1.00 0.00 N ATOM 0 H LYS A 48 -4.347 -4.387 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.773 -2.782 -11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.392 -5.437 -11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.661 -5.560 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.854 -4.926 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.555 -3.779 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.841 -5.518 -12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.201 -5.781 -13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.338 -7.883 -12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.335 -7.217 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.233 -8.656 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.755 -7.061 -10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.759 -7.707 -12.443 1.00 0.00 H new ATOM 777 N GLN A 49 -6.600 -2.564 -8.723 1.00 0.00 N ATOM 778 CA GLN A 49 -6.406 -2.289 -7.304 1.00 0.00 C ATOM 779 C GLN A 49 -7.114 -3.334 -6.448 1.00 0.00 C ATOM 780 O GLN A 49 -8.334 -3.482 -6.514 1.00 0.00 O ATOM 781 CB GLN A 49 -6.925 -0.891 -6.961 1.00 0.00 C ATOM 782 CG GLN A 49 -6.064 -0.154 -5.948 1.00 0.00 C ATOM 783 CD GLN A 49 -6.515 1.277 -5.731 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.773 1.693 -4.601 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.612 2.039 -6.815 1.00 0.00 N ATOM 0 H GLN A 49 -7.387 -2.070 -9.144 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.338 -2.334 -7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.983 -0.300 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.939 -0.975 -6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.090 -0.687 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.028 -0.157 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.388 1.652 -7.732 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.910 3.011 -6.730 1.00 0.00 H new ATOM 794 N LEU A 50 -6.340 -4.055 -5.645 1.00 0.00 N ATOM 795 CA LEU A 50 -6.893 -5.087 -4.775 1.00 0.00 C ATOM 796 C LEU A 50 -7.829 -4.481 -3.736 1.00 0.00 C ATOM 797 O LEU A 50 -7.528 -3.443 -3.144 1.00 0.00 O ATOM 798 CB LEU A 50 -5.766 -5.853 -4.077 1.00 0.00 C ATOM 799 CG LEU A 50 -4.633 -6.316 -4.995 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.704 -7.266 -4.257 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.196 -6.978 -6.243 1.00 0.00 C ATOM 0 H LEU A 50 -5.328 -3.944 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.466 -5.778 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.345 -5.219 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.192 -6.726 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.057 -5.442 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.904 -7.585 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.274 -6.758 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.266 -8.138 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.376 -7.301 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.796 -7.842 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.820 -6.266 -6.783 1.00 0.00 H new ATOM 813 N GLU A 51 -8.966 -5.134 -3.519 1.00 0.00 N ATOM 814 CA GLU A 51 -9.948 -4.660 -2.551 1.00 0.00 C ATOM 815 C GLU A 51 -9.893 -5.485 -1.270 1.00 0.00 C ATOM 816 O GLU A 51 -10.050 -6.705 -1.298 1.00 0.00 O ATOM 817 CB GLU A 51 -11.354 -4.721 -3.150 1.00 0.00 C ATOM 818 CG GLU A 51 -11.493 -3.957 -4.458 1.00 0.00 C ATOM 819 CD GLU A 51 -12.266 -2.663 -4.297 1.00 0.00 C ATOM 820 OE1 GLU A 51 -13.212 -2.634 -3.483 1.00 0.00 O ATOM 821 OE2 GLU A 51 -11.926 -1.678 -4.986 1.00 0.00 O ATOM 0 H GLU A 51 -9.230 -5.993 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.709 -3.625 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.623 -5.764 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.065 -4.320 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.501 -3.737 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.996 -4.588 -5.191 1.00 0.00 H new ATOM 828 N ASP A 52 -9.668 -4.810 -0.146 1.00 0.00 N ATOM 829 CA ASP A 52 -9.591 -5.482 1.145 1.00 0.00 C ATOM 830 C ASP A 52 -10.805 -6.381 1.362 1.00 0.00 C ATOM 831 O ASP A 52 -11.909 -5.899 1.614 1.00 0.00 O ATOM 832 CB ASP A 52 -9.495 -4.456 2.274 1.00 0.00 C ATOM 833 CG ASP A 52 -9.615 -5.091 3.646 1.00 0.00 C ATOM 834 OD1 ASP A 52 -9.107 -6.219 3.824 1.00 0.00 O ATOM 835 OD2 ASP A 52 -10.217 -4.463 4.541 1.00 0.00 O ATOM 0 H ASP A 52 -9.536 -3.799 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.695 -6.102 1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.543 -3.930 2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.281 -3.711 2.152 1.00 0.00 H new ATOM 840 N GLY A 53 -10.591 -7.688 1.262 1.00 0.00 N ATOM 841 CA GLY A 53 -11.676 -8.634 1.449 1.00 0.00 C ATOM 842 C GLY A 53 -11.673 -9.730 0.401 1.00 0.00 C ATOM 843 O GLY A 53 -12.421 -10.702 0.508 1.00 0.00 O ATOM 0 H GLY A 53 -9.686 -8.110 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.598 -9.082 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.627 -8.103 1.414 1.00 0.00 H new ATOM 847 N ARG A 54 -10.828 -9.573 -0.612 1.00 0.00 N ATOM 848 CA ARG A 54 -10.728 -10.556 -1.685 1.00 0.00 C ATOM 849 C ARG A 54 -9.512 -11.456 -1.485 1.00 0.00 C ATOM 850 O ARG A 54 -8.505 -11.037 -0.914 1.00 0.00 O ATOM 851 CB ARG A 54 -10.642 -9.855 -3.041 1.00 0.00 C ATOM 852 CG ARG A 54 -11.600 -8.682 -3.183 1.00 0.00 C ATOM 853 CD ARG A 54 -12.993 -9.145 -3.580 1.00 0.00 C ATOM 854 NE ARG A 54 -13.166 -9.175 -5.031 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.280 -9.582 -5.630 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.312 -9.995 -4.908 1.00 0.00 N ATOM 857 NH2 ARG A 54 -14.362 -9.579 -6.953 1.00 0.00 N ATOM 0 H ARG A 54 -10.202 -8.774 -0.713 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.624 -11.176 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.622 -9.501 -3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.849 -10.579 -3.829 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.651 -8.137 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.219 -7.988 -3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.175 -10.139 -3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.736 -8.480 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.389 -8.867 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.252 -10.001 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.166 -10.307 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.569 -9.264 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.218 -9.892 -7.412 1.00 0.00 H new ATOM 871 N THR A 55 -9.615 -12.693 -1.959 1.00 0.00 N ATOM 872 CA THR A 55 -8.524 -13.653 -1.832 1.00 0.00 C ATOM 873 C THR A 55 -7.604 -13.598 -3.046 1.00 0.00 C ATOM 874 O THR A 55 -8.052 -13.359 -4.167 1.00 0.00 O ATOM 875 CB THR A 55 -9.078 -15.068 -1.663 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.747 -15.487 -2.840 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.050 -15.197 -0.512 1.00 0.00 C ATOM 0 H THR A 55 -10.442 -13.054 -2.434 1.00 0.00 H new ATOM 0 HA THR A 55 -7.944 -13.388 -0.948 1.00 0.00 H new ATOM 0 HB THR A 55 -8.211 -15.695 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.661 -15.133 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.404 -16.226 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.550 -14.928 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.897 -14.531 -0.675 1.00 0.00 H new ATOM 885 N LEU A 56 -6.314 -13.823 -2.814 1.00 0.00 N ATOM 886 CA LEU A 56 -5.330 -13.801 -3.889 1.00 0.00 C ATOM 887 C LEU A 56 -5.834 -14.577 -5.102 1.00 0.00 C ATOM 888 O LEU A 56 -5.650 -14.153 -6.243 1.00 0.00 O ATOM 889 CB LEU A 56 -4.003 -14.393 -3.406 1.00 0.00 C ATOM 890 CG LEU A 56 -3.399 -13.708 -2.180 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.100 -14.388 -1.774 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.166 -12.231 -2.457 1.00 0.00 C ATOM 0 H LEU A 56 -5.927 -14.022 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.172 -12.763 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.155 -15.448 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.282 -14.345 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.104 -13.796 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.685 -13.887 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.296 -15.433 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.387 -14.332 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.736 -11.759 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.480 -12.122 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.115 -11.752 -2.699 1.00 0.00 H new ATOM 904 N SER A 57 -6.473 -15.714 -4.847 1.00 0.00 N ATOM 905 CA SER A 57 -7.006 -16.548 -5.918 1.00 0.00 C ATOM 906 C SER A 57 -8.077 -15.801 -6.705 1.00 0.00 C ATOM 907 O SER A 57 -8.157 -15.915 -7.929 1.00 0.00 O ATOM 908 CB SER A 57 -7.588 -17.841 -5.344 1.00 0.00 C ATOM 909 OG SER A 57 -8.528 -18.418 -6.235 1.00 0.00 O ATOM 0 H SER A 57 -6.634 -16.079 -3.908 1.00 0.00 H new ATOM 0 HA SER A 57 -6.188 -16.795 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.784 -18.551 -5.150 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.068 -17.634 -4.388 1.00 0.00 H new ATOM 0 HG SER A 57 -8.884 -19.244 -5.845 1.00 0.00 H new ATOM 915 N ASP A 58 -8.899 -15.034 -5.995 1.00 0.00 N ATOM 916 CA ASP A 58 -9.967 -14.267 -6.626 1.00 0.00 C ATOM 917 C ASP A 58 -9.413 -13.370 -7.728 1.00 0.00 C ATOM 918 O ASP A 58 -10.090 -13.099 -8.721 1.00 0.00 O ATOM 919 CB ASP A 58 -10.699 -13.420 -5.583 1.00 0.00 C ATOM 920 CG ASP A 58 -11.584 -14.255 -4.679 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.218 -15.206 -5.182 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.643 -13.959 -3.467 1.00 0.00 O ATOM 0 H ASP A 58 -8.846 -14.927 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.671 -14.969 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.969 -12.883 -4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.306 -12.670 -6.089 1.00 0.00 H new ATOM 927 N TYR A 59 -8.179 -12.912 -7.547 1.00 0.00 N ATOM 928 CA TYR A 59 -7.533 -12.045 -8.527 1.00 0.00 C ATOM 929 C TYR A 59 -6.669 -12.857 -9.485 1.00 0.00 C ATOM 930 O TYR A 59 -5.735 -12.333 -10.091 1.00 0.00 O ATOM 931 CB TYR A 59 -6.678 -10.991 -7.821 1.00 0.00 C ATOM 932 CG TYR A 59 -7.476 -9.842 -7.247 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.294 -9.060 -8.063 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.415 -9.538 -5.888 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.026 -8.006 -7.540 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.146 -8.486 -5.358 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.949 -7.724 -6.188 1.00 0.00 C ATOM 938 OH TYR A 59 -9.675 -6.679 -5.665 1.00 0.00 O ATOM 0 H TYR A 59 -7.606 -13.126 -6.731 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.312 -11.545 -9.103 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.118 -11.470 -7.017 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.947 -10.597 -8.527 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.358 -9.279 -9.119 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.789 -10.131 -5.238 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.653 -7.408 -8.184 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.089 -8.262 -4.303 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.630 -6.833 -5.823 1.00 0.00 H new ATOM 948 N ASN A 60 -6.987 -14.141 -9.617 1.00 0.00 N ATOM 949 CA ASN A 60 -6.239 -15.028 -10.502 1.00 0.00 C ATOM 950 C ASN A 60 -4.745 -14.727 -10.434 1.00 0.00 C ATOM 951 O ASN A 60 -4.116 -14.426 -11.449 1.00 0.00 O ATOM 952 CB ASN A 60 -6.735 -14.887 -11.941 1.00 0.00 C ATOM 953 CG ASN A 60 -6.919 -13.439 -12.352 1.00 0.00 C ATOM 954 OD1 ASN A 60 -5.950 -12.734 -12.636 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.166 -12.987 -12.385 1.00 0.00 N ATOM 0 H ASN A 60 -7.758 -14.591 -9.123 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.402 -16.053 -10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.025 -15.365 -12.615 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.682 -15.415 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.351 -12.021 -12.654 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.939 -13.606 -12.142 1.00 0.00 H new ATOM 962 N LEU A 61 -4.183 -14.811 -9.233 1.00 0.00 N ATOM 963 CA LEU A 61 -2.762 -14.548 -9.033 1.00 0.00 C ATOM 964 C LEU A 61 -1.942 -15.822 -9.207 1.00 0.00 C ATOM 965 O LEU A 61 -2.274 -16.867 -8.649 1.00 0.00 O ATOM 966 CB LEU A 61 -2.523 -13.960 -7.640 1.00 0.00 C ATOM 967 CG LEU A 61 -2.282 -12.450 -7.608 1.00 0.00 C ATOM 968 CD1 LEU A 61 -3.283 -11.770 -6.688 1.00 0.00 C ATOM 969 CD2 LEU A 61 -0.858 -12.147 -7.169 1.00 0.00 C ATOM 0 H LEU A 61 -4.690 -15.059 -8.383 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.442 -13.827 -9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.385 -14.188 -7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.663 -14.459 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.421 -12.057 -8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.096 -10.696 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.294 -11.959 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.177 -12.166 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.704 -11.068 -7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.691 -12.553 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.157 -12.602 -7.868 1.00 0.00 H new ATOM 981 N GLN A 62 -0.869 -15.727 -9.986 1.00 0.00 N ATOM 982 CA GLN A 62 -0.001 -16.873 -10.234 1.00 0.00 C ATOM 983 C GLN A 62 1.211 -16.848 -9.308 1.00 0.00 C ATOM 984 O GLN A 62 1.404 -15.898 -8.550 1.00 0.00 O ATOM 985 CB GLN A 62 0.457 -16.883 -11.694 1.00 0.00 C ATOM 986 CG GLN A 62 -0.684 -16.763 -12.691 1.00 0.00 C ATOM 987 CD GLN A 62 -0.199 -16.483 -14.100 1.00 0.00 C ATOM 988 OE1 GLN A 62 -0.138 -15.332 -14.530 1.00 0.00 O ATOM 989 NE2 GLN A 62 0.148 -17.539 -14.827 1.00 0.00 N ATOM 0 H GLN A 62 -0.580 -14.869 -10.456 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.570 -17.780 -10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.155 -16.061 -11.853 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.003 -17.806 -11.888 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.264 -17.686 -12.687 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.355 -15.964 -12.376 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.081 -18.476 -14.430 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.481 -17.413 -15.783 1.00 0.00 H new ATOM 998 N LYS A 63 2.023 -17.898 -9.375 1.00 0.00 N ATOM 999 CA LYS A 63 3.216 -17.994 -8.543 1.00 0.00 C ATOM 1000 C LYS A 63 4.211 -16.891 -8.888 1.00 0.00 C ATOM 1001 O LYS A 63 4.409 -16.564 -10.059 1.00 0.00 O ATOM 1002 CB LYS A 63 3.877 -19.363 -8.716 1.00 0.00 C ATOM 1003 CG LYS A 63 4.285 -20.014 -7.405 1.00 0.00 C ATOM 1004 CD LYS A 63 3.837 -21.464 -7.340 1.00 0.00 C ATOM 1005 CE LYS A 63 4.914 -22.352 -6.735 1.00 0.00 C ATOM 1006 NZ LYS A 63 5.704 -23.057 -7.782 1.00 0.00 N ATOM 0 H LYS A 63 1.876 -18.693 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 63 2.912 -17.873 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.189 -20.025 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.759 -19.254 -9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.368 -19.961 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.851 -19.460 -6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.926 -21.538 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.594 -21.816 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.582 -21.747 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.451 -23.085 -6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.427 -23.652 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.071 -23.654 -8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.166 -22.358 -8.398 1.00 0.00 H new ATOM 1020 N GLU A 64 4.835 -16.320 -7.862 1.00 0.00 N ATOM 1021 CA GLU A 64 5.809 -15.254 -8.059 1.00 0.00 C ATOM 1022 C GLU A 64 5.237 -14.150 -8.942 1.00 0.00 C ATOM 1023 O GLU A 64 5.830 -13.783 -9.957 1.00 0.00 O ATOM 1024 CB GLU A 64 7.088 -15.814 -8.685 1.00 0.00 C ATOM 1025 CG GLU A 64 7.394 -17.243 -8.267 1.00 0.00 C ATOM 1026 CD GLU A 64 8.854 -17.605 -8.451 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.717 -16.882 -7.911 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.134 -18.611 -9.136 1.00 0.00 O ATOM 0 H GLU A 64 4.683 -16.578 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 64 6.046 -14.827 -7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.000 -15.773 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.927 -15.176 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.119 -17.378 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.778 -17.928 -8.850 1.00 0.00 H new ATOM 1035 N SER A 65 4.081 -13.623 -8.550 1.00 0.00 N ATOM 1036 CA SER A 65 3.428 -12.561 -9.307 1.00 0.00 C ATOM 1037 C SER A 65 4.100 -11.216 -9.049 1.00 0.00 C ATOM 1038 O SER A 65 4.853 -11.060 -8.089 1.00 0.00 O ATOM 1039 CB SER A 65 1.946 -12.481 -8.940 1.00 0.00 C ATOM 1040 OG SER A 65 1.236 -13.604 -9.435 1.00 0.00 O ATOM 0 H SER A 65 3.577 -13.914 -7.712 1.00 0.00 H new ATOM 0 HA SER A 65 3.521 -12.796 -10.367 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.839 -12.428 -7.857 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.516 -11.566 -9.348 1.00 0.00 H new ATOM 0 HG SER A 65 1.149 -14.275 -8.726 1.00 0.00 H new ATOM 1046 N THR A 66 3.822 -10.247 -9.915 1.00 0.00 N ATOM 1047 CA THR A 66 4.398 -8.914 -9.784 1.00 0.00 C ATOM 1048 C THR A 66 3.321 -7.885 -9.456 1.00 0.00 C ATOM 1049 O THR A 66 2.464 -7.583 -10.286 1.00 0.00 O ATOM 1050 CB THR A 66 5.121 -8.520 -11.073 1.00 0.00 C ATOM 1051 OG1 THR A 66 5.913 -9.592 -11.552 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.025 -7.318 -10.909 1.00 0.00 C ATOM 0 H THR A 66 3.201 -10.360 -10.716 1.00 0.00 H new ATOM 0 HA THR A 66 5.116 -8.935 -8.964 1.00 0.00 H new ATOM 0 HB THR A 66 4.332 -8.266 -11.780 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.366 -9.321 -12.378 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.507 -7.093 -11.860 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.434 -6.460 -10.589 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.786 -7.535 -10.159 1.00 0.00 H new ATOM 1060 N ILE A 67 3.369 -7.351 -8.240 1.00 0.00 N ATOM 1061 CA ILE A 67 2.397 -6.356 -7.802 1.00 0.00 C ATOM 1062 C ILE A 67 3.070 -5.019 -7.511 1.00 0.00 C ATOM 1063 O ILE A 67 4.197 -4.975 -7.018 1.00 0.00 O ATOM 1064 CB ILE A 67 1.643 -6.824 -6.543 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.109 -8.244 -6.738 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.509 -5.864 -6.217 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.567 -9.214 -5.671 1.00 0.00 C ATOM 0 H ILE A 67 4.071 -7.591 -7.540 1.00 0.00 H new ATOM 0 HA ILE A 67 1.685 -6.230 -8.617 1.00 0.00 H new ATOM 0 HB ILE A 67 2.338 -6.832 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.019 -8.215 -6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.427 -8.612 -7.713 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.014 -6.208 -5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.915 -4.869 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.188 -5.826 -7.054 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.150 -10.201 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.655 -9.272 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.226 -8.869 -4.695 1.00 0.00 H new ATOM 1079 N HIS A 68 2.370 -3.932 -7.816 1.00 0.00 N ATOM 1080 CA HIS A 68 2.899 -2.592 -7.585 1.00 0.00 C ATOM 1081 C HIS A 68 2.278 -1.971 -6.338 1.00 0.00 C ATOM 1082 O HIS A 68 1.056 -1.953 -6.185 1.00 0.00 O ATOM 1083 CB HIS A 68 2.636 -1.699 -8.800 1.00 0.00 C ATOM 1084 CG HIS A 68 3.088 -2.303 -10.093 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.104 -1.607 -11.285 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.543 -3.546 -10.380 1.00 0.00 C ATOM 1087 CE1 HIS A 68 3.548 -2.396 -12.247 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.822 -3.578 -11.725 1.00 0.00 N ATOM 0 H HIS A 68 1.435 -3.952 -8.224 1.00 0.00 H new ATOM 0 HA HIS A 68 3.975 -2.674 -7.431 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.569 -1.486 -8.861 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.143 -0.745 -8.657 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.664 -4.361 -9.681 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.667 -2.121 -13.285 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.182 -4.383 -12.237 1.00 0.00 H new ATOM 1097 N LEU A 69 3.126 -1.468 -5.449 1.00 0.00 N ATOM 1098 CA LEU A 69 2.661 -0.848 -4.213 1.00 0.00 C ATOM 1099 C LEU A 69 2.716 0.670 -4.306 1.00 0.00 C ATOM 1100 O LEU A 69 3.784 1.256 -4.475 1.00 0.00 O ATOM 1101 CB LEU A 69 3.500 -1.331 -3.028 1.00 0.00 C ATOM 1102 CG LEU A 69 2.911 -1.022 -1.649 1.00 0.00 C ATOM 1103 CD1 LEU A 69 3.487 -1.963 -0.602 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.174 0.427 -1.270 1.00 0.00 C ATOM 0 H LEU A 69 4.140 -1.477 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 69 1.623 -1.143 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.637 -2.409 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.489 -0.878 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 69 1.833 -1.174 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.058 -1.730 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.247 -2.993 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.569 -1.842 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.748 0.629 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.249 0.607 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.714 1.085 -2.007 1.00 0.00 H new ATOM 1116 N VAL A 70 1.552 1.300 -4.191 1.00 0.00 N ATOM 1117 CA VAL A 70 1.459 2.751 -4.258 1.00 0.00 C ATOM 1118 C VAL A 70 0.908 3.322 -2.958 1.00 0.00 C ATOM 1119 O VAL A 70 0.134 2.668 -2.258 1.00 0.00 O ATOM 1120 CB VAL A 70 0.563 3.214 -5.426 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.228 4.351 -6.186 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.240 2.056 -6.360 1.00 0.00 C ATOM 0 H VAL A 70 0.660 0.826 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 70 2.471 3.122 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.376 3.579 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.583 4.666 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.394 5.191 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.184 4.012 -6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.393 2.411 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.165 1.650 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.284 1.277 -5.806 1.00 0.00 H new ATOM 1132 N LEU A 71 1.315 4.544 -2.640 1.00 0.00 N ATOM 1133 CA LEU A 71 0.865 5.209 -1.423 1.00 0.00 C ATOM 1134 C LEU A 71 -0.334 6.108 -1.707 1.00 0.00 C ATOM 1135 O LEU A 71 -0.396 6.769 -2.744 1.00 0.00 O ATOM 1136 CB LEU A 71 2.002 6.034 -0.817 1.00 0.00 C ATOM 1137 CG LEU A 71 1.912 6.243 0.695 1.00 0.00 C ATOM 1138 CD1 LEU A 71 3.287 6.107 1.333 1.00 0.00 C ATOM 1139 CD2 LEU A 71 1.307 7.602 1.010 1.00 0.00 C ATOM 0 H LEU A 71 1.957 5.096 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 71 0.562 4.442 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.948 5.544 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.023 7.009 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 71 1.262 5.474 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.205 6.259 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.683 5.111 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.959 6.854 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.251 7.734 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.931 8.386 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.305 7.662 0.584 1.00 0.00 H new ATOM 1151 N ARG A 72 -1.287 6.126 -0.779 1.00 0.00 N ATOM 1152 CA ARG A 72 -2.485 6.944 -0.931 1.00 0.00 C ATOM 1153 C ARG A 72 -2.134 8.334 -1.452 1.00 0.00 C ATOM 1154 O ARG A 72 -1.626 9.176 -0.709 1.00 0.00 O ATOM 1155 CB ARG A 72 -3.225 7.057 0.403 1.00 0.00 C ATOM 1156 CG ARG A 72 -4.717 7.304 0.251 1.00 0.00 C ATOM 1157 CD ARG A 72 -5.270 8.116 1.412 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.706 8.349 1.282 1.00 0.00 N ATOM 1159 CZ ARG A 72 -7.385 9.200 2.045 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -6.759 9.897 2.984 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -8.690 9.356 1.870 1.00 0.00 N ATOM 0 H ARG A 72 -1.252 5.584 0.085 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.135 6.458 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.073 6.140 0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.788 7.869 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.906 7.830 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.240 6.350 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.071 7.593 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.751 9.073 1.465 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.216 7.830 0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.755 9.781 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.282 10.549 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.175 8.822 1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.209 10.010 2.457 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.409 8.569 -2.730 1.00 0.00 N ATOM 1176 CA LEU A 73 -2.123 9.857 -3.350 1.00 0.00 C ATOM 1177 C LEU A 73 -3.288 10.821 -3.158 1.00 0.00 C ATOM 1178 O LEU A 73 -4.208 10.871 -3.974 1.00 0.00 O ATOM 1179 CB LEU A 73 -1.835 9.677 -4.841 1.00 0.00 C ATOM 1180 CG LEU A 73 -1.067 10.827 -5.497 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -1.392 10.907 -6.980 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -1.389 12.144 -4.807 1.00 0.00 C ATOM 0 H LEU A 73 -2.830 7.884 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.242 10.278 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.267 8.757 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.782 9.547 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 73 0.001 10.635 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.837 11.730 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.111 9.972 -7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.461 11.076 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.834 12.951 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.458 12.343 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.106 12.083 -3.756 1.00 0.00 H new ATOM 1194 N ARG A 74 -3.245 11.585 -2.071 1.00 0.00 N ATOM 1195 CA ARG A 74 -4.298 12.548 -1.771 1.00 0.00 C ATOM 1196 C ARG A 74 -3.751 13.972 -1.765 1.00 0.00 C ATOM 1197 O ARG A 74 -2.639 14.219 -1.297 1.00 0.00 O ATOM 1198 CB ARG A 74 -4.937 12.229 -0.417 1.00 0.00 C ATOM 1199 CG ARG A 74 -6.318 11.602 -0.528 1.00 0.00 C ATOM 1200 CD ARG A 74 -7.415 12.629 -0.302 1.00 0.00 C ATOM 1201 NE ARG A 74 -7.417 13.664 -1.332 1.00 0.00 N ATOM 1202 CZ ARG A 74 -7.742 13.440 -2.601 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -8.089 12.221 -2.992 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -7.721 14.433 -3.479 1.00 0.00 N ATOM 0 H ARG A 74 -2.492 11.556 -1.383 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.056 12.474 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.283 11.552 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.010 13.147 0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.437 11.152 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.414 10.799 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.383 12.128 -0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.283 13.091 0.676 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.154 14.612 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.106 11.455 -2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.338 12.050 -3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.455 15.372 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.971 14.258 -4.452 1.00 0.00 H new ATOM 1218 N GLY A 75 -4.540 14.905 -2.287 1.00 0.00 N ATOM 1219 CA GLY A 75 -4.118 16.293 -2.332 1.00 0.00 C ATOM 1220 C GLY A 75 -3.610 16.702 -3.701 1.00 0.00 C ATOM 1221 O GLY A 75 -3.997 17.746 -4.228 1.00 0.00 O ATOM 0 H GLY A 75 -5.464 14.725 -2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.955 16.933 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.333 16.455 -1.594 1.00 0.00 H new ATOM 1225 N GLY A 76 -2.742 15.878 -4.278 1.00 0.00 N ATOM 1226 CA GLY A 76 -2.195 16.176 -5.588 1.00 0.00 C ATOM 1227 C GLY A 76 -1.900 14.925 -6.392 1.00 0.00 C ATOM 1228 O GLY A 76 -2.860 14.207 -6.746 1.00 0.00 O ATOM 1229 OXT GLY A 76 -0.711 14.663 -6.669 1.00 0.00 O ATOM 0 H GLY A 76 -2.408 15.009 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.899 16.800 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.278 16.754 -5.472 1.00 0.00 H new TER 1233 GLY A 76