USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 579 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 133:sc= -0.571 (180deg=-3.36!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0657 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.35) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot -19:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.392 -10.335 4.003 1.00 0.00 N ATOM 2 CA MET A 1 -0.670 -9.582 3.281 1.00 0.00 C ATOM 3 C MET A 1 -1.263 -8.485 4.165 1.00 0.00 C ATOM 4 O MET A 1 -2.360 -8.633 4.707 1.00 0.00 O ATOM 5 CB MET A 1 -1.758 -10.570 2.839 1.00 0.00 C ATOM 6 CG MET A 1 -1.744 -10.860 1.346 1.00 0.00 C ATOM 7 SD MET A 1 -2.529 -12.431 0.933 1.00 0.00 S ATOM 8 CE MET A 1 -1.210 -13.581 1.312 1.00 0.00 C ATOM 0 H1 MET A 1 0.778 -11.074 3.381 1.00 0.00 H new ATOM 0 H2 MET A 1 1.153 -9.683 4.279 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.012 -10.776 4.854 1.00 0.00 H new ATOM 0 HA MET A 1 -0.238 -9.095 2.407 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.631 -11.505 3.384 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.734 -10.170 3.114 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.255 -10.054 0.819 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.713 -10.870 0.992 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.606 -14.408 1.902 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.786 -13.967 0.385 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.433 -13.069 1.880 1.00 0.00 H new ATOM 20 N GLU A 2 -0.523 -7.387 4.307 1.00 0.00 N ATOM 21 CA GLU A 2 -0.964 -6.256 5.126 1.00 0.00 C ATOM 22 C GLU A 2 -0.562 -4.929 4.489 1.00 0.00 C ATOM 23 O GLU A 2 0.294 -4.887 3.607 1.00 0.00 O ATOM 24 CB GLU A 2 -0.369 -6.352 6.535 1.00 0.00 C ATOM 25 CG GLU A 2 -0.429 -7.747 7.137 1.00 0.00 C ATOM 26 CD GLU A 2 0.361 -7.862 8.426 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.061 -7.263 9.438 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.405 -8.550 8.422 1.00 0.00 O ATOM 0 H GLU A 2 0.387 -7.255 3.865 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.051 -6.296 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.671 -6.026 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.900 -5.661 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.469 -8.011 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.045 -8.467 6.415 1.00 0.00 H new ATOM 35 N TRP A 3 -1.185 -3.847 4.951 1.00 0.00 N ATOM 36 CA TRP A 3 -0.899 -2.513 4.440 1.00 0.00 C ATOM 37 C TRP A 3 -1.218 -1.466 5.501 1.00 0.00 C ATOM 38 O TRP A 3 -2.207 -1.586 6.224 1.00 0.00 O ATOM 39 CB TRP A 3 -1.714 -2.249 3.167 1.00 0.00 C ATOM 40 CG TRP A 3 -1.493 -0.889 2.564 1.00 0.00 C ATOM 41 CD1 TRP A 3 -1.814 0.318 3.119 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.911 -0.600 1.288 1.00 0.00 C ATOM 43 NE1 TRP A 3 -1.462 1.338 2.268 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.908 0.800 1.138 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.393 -1.388 0.256 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -0.406 1.426 0.000 1.00 0.00 C ATOM 47 CZ3 TRP A 3 0.106 -0.764 -0.873 1.00 0.00 C ATOM 48 CH2 TRP A 3 0.096 0.630 -0.993 1.00 0.00 C ATOM 0 H TRP A 3 -1.895 -3.871 5.683 1.00 0.00 H new ATOM 0 HA TRP A 3 0.161 -2.449 4.194 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.464 -3.008 2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.773 -2.364 3.397 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.277 0.451 4.086 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -1.592 2.333 2.449 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.383 -2.465 0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -0.413 2.502 -0.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 0.510 -1.363 -1.676 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.493 1.087 -1.888 1.00 0.00 H new ATOM 59 N LYS A 4 -0.384 -0.438 5.583 1.00 0.00 N ATOM 60 CA LYS A 4 -0.580 0.640 6.547 1.00 0.00 C ATOM 61 C LYS A 4 -0.288 1.983 5.889 1.00 0.00 C ATOM 62 O LYS A 4 0.612 2.089 5.059 1.00 0.00 O ATOM 63 CB LYS A 4 0.323 0.448 7.767 1.00 0.00 C ATOM 64 CG LYS A 4 -0.085 -0.715 8.659 1.00 0.00 C ATOM 65 CD LYS A 4 1.126 -1.379 9.294 1.00 0.00 C ATOM 66 CE LYS A 4 0.721 -2.378 10.368 1.00 0.00 C ATOM 67 NZ LYS A 4 1.595 -2.285 11.570 1.00 0.00 N ATOM 0 H LYS A 4 0.439 -0.327 4.991 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.617 0.621 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.347 0.291 7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.320 1.364 8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.757 -0.358 9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.638 -1.449 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.708 -1.887 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.772 -0.617 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.315 -2.200 10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.769 -3.388 9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.287 -2.981 12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.580 -2.480 11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.530 -1.329 11.974 1.00 0.00 H new ATOM 81 N LEU A 5 -1.057 3.006 6.248 1.00 0.00 N ATOM 82 CA LEU A 5 -0.864 4.331 5.667 1.00 0.00 C ATOM 83 C LEU A 5 -0.943 5.428 6.727 1.00 0.00 C ATOM 84 O LEU A 5 -1.558 5.247 7.779 1.00 0.00 O ATOM 85 CB LEU A 5 -1.908 4.581 4.575 1.00 0.00 C ATOM 86 CG LEU A 5 -1.523 5.626 3.526 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.281 5.192 2.760 1.00 0.00 C ATOM 88 CD2 LEU A 5 -2.679 5.866 2.570 1.00 0.00 C ATOM 0 H LEU A 5 -1.812 2.945 6.931 1.00 0.00 H new ATOM 0 HA LEU A 5 0.134 4.361 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.110 3.638 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.838 4.893 5.050 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.296 6.560 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.026 5.951 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.550 5.069 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.476 4.245 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.390 6.612 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.934 4.934 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.544 6.225 3.128 1.00 0.00 H new ATOM 100 N PHE A 6 -0.325 6.571 6.436 1.00 0.00 N ATOM 101 CA PHE A 6 -0.338 7.705 7.358 1.00 0.00 C ATOM 102 C PHE A 6 -1.647 8.487 7.222 1.00 0.00 C ATOM 103 O PHE A 6 -2.529 8.106 6.450 1.00 0.00 O ATOM 104 CB PHE A 6 0.860 8.630 7.098 1.00 0.00 C ATOM 105 CG PHE A 6 1.851 8.679 8.230 1.00 0.00 C ATOM 106 CD1 PHE A 6 1.424 8.735 9.550 1.00 0.00 C ATOM 107 CD2 PHE A 6 3.215 8.679 7.975 1.00 0.00 C ATOM 108 CE1 PHE A 6 2.335 8.780 10.588 1.00 0.00 C ATOM 109 CE2 PHE A 6 4.130 8.725 9.009 1.00 0.00 C ATOM 110 CZ PHE A 6 3.690 8.779 10.317 1.00 0.00 C ATOM 0 H PHE A 6 0.190 6.736 5.571 1.00 0.00 H new ATOM 0 HA PHE A 6 -0.262 7.319 8.375 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.372 8.300 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.493 9.638 6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.366 8.743 9.768 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.566 8.643 6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.988 8.816 11.610 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.189 8.719 8.795 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.404 8.820 11.127 1.00 0.00 H new ATOM 120 N ALA A 7 -1.770 9.579 7.977 1.00 0.00 N ATOM 121 CA ALA A 7 -2.977 10.409 7.938 1.00 0.00 C ATOM 122 C ALA A 7 -3.041 11.271 6.675 1.00 0.00 C ATOM 123 O ALA A 7 -4.084 11.850 6.371 1.00 0.00 O ATOM 124 CB ALA A 7 -3.051 11.289 9.178 1.00 0.00 C ATOM 0 H ALA A 7 -1.052 9.910 8.621 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.835 9.737 7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.952 11.901 9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.079 10.661 10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.175 11.936 9.218 1.00 0.00 H new ATOM 130 N ASP A 8 -1.929 11.351 5.942 1.00 0.00 N ATOM 131 CA ASP A 8 -1.870 12.143 4.715 1.00 0.00 C ATOM 132 C ASP A 8 -2.986 11.742 3.748 1.00 0.00 C ATOM 133 O ASP A 8 -3.571 12.590 3.075 1.00 0.00 O ATOM 134 CB ASP A 8 -0.499 11.978 4.046 1.00 0.00 C ATOM 135 CG ASP A 8 -0.124 13.173 3.191 1.00 0.00 C ATOM 136 OD1 ASP A 8 -0.548 13.221 2.018 1.00 0.00 O ATOM 137 OD2 ASP A 8 0.593 14.063 3.697 1.00 0.00 O ATOM 0 H ASP A 8 -1.058 10.876 6.178 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.012 13.191 4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.261 11.831 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.505 11.080 3.428 1.00 0.00 H new ATOM 142 N LEU A 9 -3.273 10.444 3.691 1.00 0.00 N ATOM 143 CA LEU A 9 -4.319 9.916 2.816 1.00 0.00 C ATOM 144 C LEU A 9 -5.567 9.522 3.614 1.00 0.00 C ATOM 145 O LEU A 9 -6.693 9.726 3.160 1.00 0.00 O ATOM 146 CB LEU A 9 -3.787 8.707 2.042 1.00 0.00 C ATOM 147 CG LEU A 9 -3.444 8.977 0.575 1.00 0.00 C ATOM 148 CD1 LEU A 9 -2.110 9.703 0.465 1.00 0.00 C ATOM 149 CD2 LEU A 9 -3.416 7.674 -0.214 1.00 0.00 C ATOM 0 H LEU A 9 -2.793 9.734 4.244 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.603 10.700 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.894 8.336 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.531 7.911 2.085 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.217 9.617 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.881 9.887 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.168 10.653 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.324 9.089 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.171 7.884 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.663 7.009 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.394 7.196 -0.161 1.00 0.00 H new ATOM 161 N ALA A 10 -5.362 8.957 4.804 1.00 0.00 N ATOM 162 CA ALA A 10 -6.478 8.534 5.657 1.00 0.00 C ATOM 163 C ALA A 10 -7.323 9.724 6.124 1.00 0.00 C ATOM 164 O ALA A 10 -8.460 9.543 6.560 1.00 0.00 O ATOM 165 CB ALA A 10 -5.961 7.752 6.853 1.00 0.00 C ATOM 0 H ALA A 10 -4.439 8.781 5.200 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.122 7.889 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.800 7.445 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.424 6.869 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.287 8.381 7.435 1.00 0.00 H new ATOM 171 N GLU A 11 -6.773 10.935 6.034 1.00 0.00 N ATOM 172 CA GLU A 11 -7.497 12.135 6.450 1.00 0.00 C ATOM 173 C GLU A 11 -8.691 12.406 5.532 1.00 0.00 C ATOM 174 O GLU A 11 -9.669 13.028 5.948 1.00 0.00 O ATOM 175 CB GLU A 11 -6.572 13.354 6.459 1.00 0.00 C ATOM 176 CG GLU A 11 -5.950 13.634 7.818 1.00 0.00 C ATOM 177 CD GLU A 11 -4.982 14.800 7.785 1.00 0.00 C ATOM 178 OE1 GLU A 11 -5.429 15.947 7.995 1.00 0.00 O ATOM 179 OE2 GLU A 11 -3.778 14.566 7.553 1.00 0.00 O ATOM 0 H GLU A 11 -5.833 11.110 5.679 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.865 11.959 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.777 13.202 5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.136 14.230 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.740 13.842 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.428 12.742 8.166 1.00 0.00 H new ATOM 186 N VAL A 12 -8.606 11.950 4.280 1.00 0.00 N ATOM 187 CA VAL A 12 -9.684 12.165 3.320 1.00 0.00 C ATOM 188 C VAL A 12 -10.600 10.946 3.198 1.00 0.00 C ATOM 189 O VAL A 12 -11.824 11.089 3.164 1.00 0.00 O ATOM 190 CB VAL A 12 -9.135 12.540 1.929 1.00 0.00 C ATOM 191 CG1 VAL A 12 -10.252 13.065 1.040 1.00 0.00 C ATOM 192 CG2 VAL A 12 -8.019 13.569 2.054 1.00 0.00 C ATOM 0 H VAL A 12 -7.807 11.434 3.912 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.273 12.997 3.705 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.722 11.643 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.847 13.325 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.016 12.296 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.695 13.950 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.644 13.821 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.405 14.468 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.208 13.155 2.654 1.00 0.00 H new ATOM 202 N ALA A 13 -10.014 9.752 3.118 1.00 0.00 N ATOM 203 CA ALA A 13 -10.798 8.524 2.985 1.00 0.00 C ATOM 204 C ALA A 13 -11.122 7.903 4.342 1.00 0.00 C ATOM 205 O ALA A 13 -12.242 7.443 4.569 1.00 0.00 O ATOM 206 CB ALA A 13 -10.066 7.517 2.109 1.00 0.00 C ATOM 0 H ALA A 13 -9.004 9.609 3.143 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.742 8.792 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.663 6.610 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.907 7.944 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.103 7.275 2.559 1.00 0.00 H new ATOM 212 N GLY A 14 -10.134 7.882 5.236 1.00 0.00 N ATOM 213 CA GLY A 14 -10.334 7.305 6.557 1.00 0.00 C ATOM 214 C GLY A 14 -9.645 5.960 6.724 1.00 0.00 C ATOM 215 O GLY A 14 -9.265 5.587 7.836 1.00 0.00 O ATOM 0 H GLY A 14 -9.199 8.254 5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.958 7.997 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.402 7.186 6.738 1.00 0.00 H new ATOM 219 N SER A 15 -9.481 5.233 5.618 1.00 0.00 N ATOM 220 CA SER A 15 -8.833 3.924 5.642 1.00 0.00 C ATOM 221 C SER A 15 -7.384 4.022 5.179 1.00 0.00 C ATOM 222 O SER A 15 -7.112 4.219 3.994 1.00 0.00 O ATOM 223 CB SER A 15 -9.595 2.929 4.759 1.00 0.00 C ATOM 224 OG SER A 15 -9.164 1.599 4.997 1.00 0.00 O ATOM 0 H SER A 15 -9.789 5.531 4.693 1.00 0.00 H new ATOM 0 HA SER A 15 -8.844 3.566 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.664 3.009 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.445 3.181 3.709 1.00 0.00 H new ATOM 0 HG SER A 15 -9.667 0.984 4.422 1.00 0.00 H new ATOM 230 N ARG A 16 -6.456 3.874 6.122 1.00 0.00 N ATOM 231 CA ARG A 16 -5.038 3.934 5.823 1.00 0.00 C ATOM 232 C ARG A 16 -4.459 2.528 5.690 1.00 0.00 C ATOM 233 O ARG A 16 -3.663 2.255 4.791 1.00 0.00 O ATOM 234 CB ARG A 16 -4.295 4.709 6.917 1.00 0.00 C ATOM 235 CG ARG A 16 -4.761 4.407 8.337 1.00 0.00 C ATOM 236 CD ARG A 16 -5.724 5.467 8.851 1.00 0.00 C ATOM 237 NE ARG A 16 -6.195 5.173 10.204 1.00 0.00 N ATOM 238 CZ ARG A 16 -5.459 5.342 11.304 1.00 0.00 C ATOM 239 NH1 ARG A 16 -4.206 5.785 11.217 1.00 0.00 N ATOM 240 NH2 ARG A 16 -5.975 5.067 12.496 1.00 0.00 N ATOM 0 H ARG A 16 -6.669 3.711 7.106 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.909 4.455 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.231 4.486 6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.411 5.777 6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.247 3.432 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.897 4.349 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.231 6.439 8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.578 5.537 8.178 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.145 4.817 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.802 5.998 10.305 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.650 5.912 12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.934 4.727 12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.413 5.196 13.337 1.00 0.00 H new ATOM 254 N THR A 17 -4.866 1.636 6.595 1.00 0.00 N ATOM 255 CA THR A 17 -4.389 0.257 6.583 1.00 0.00 C ATOM 256 C THR A 17 -5.344 -0.648 5.805 1.00 0.00 C ATOM 257 O THR A 17 -6.557 -0.425 5.793 1.00 0.00 O ATOM 258 CB THR A 17 -4.215 -0.264 8.016 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.461 -0.641 8.582 1.00 0.00 O ATOM 260 CG2 THR A 17 -3.571 0.738 8.952 1.00 0.00 C ATOM 0 H THR A 17 -5.525 1.847 7.345 1.00 0.00 H new ATOM 0 HA THR A 17 -3.421 0.241 6.083 1.00 0.00 H new ATOM 0 HB THR A 17 -3.553 -1.124 7.919 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.320 -0.971 9.494 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.480 0.301 9.946 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.581 1.000 8.579 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.188 1.635 9.005 1.00 0.00 H new ATOM 268 N VAL A 18 -4.788 -1.669 5.155 1.00 0.00 N ATOM 269 CA VAL A 18 -5.585 -2.609 4.374 1.00 0.00 C ATOM 270 C VAL A 18 -5.052 -4.035 4.514 1.00 0.00 C ATOM 271 O VAL A 18 -3.953 -4.345 4.056 1.00 0.00 O ATOM 272 CB VAL A 18 -5.612 -2.227 2.877 1.00 0.00 C ATOM 273 CG1 VAL A 18 -6.714 -2.985 2.149 1.00 0.00 C ATOM 274 CG2 VAL A 18 -5.787 -0.724 2.705 1.00 0.00 C ATOM 0 H VAL A 18 -3.787 -1.865 5.155 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.600 -2.561 4.769 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.655 -2.509 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.716 -2.702 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.537 -4.057 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.679 -2.739 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.803 -0.479 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.725 -0.412 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.958 -0.204 3.185 1.00 0.00 H new ATOM 284 N ARG A 19 -5.845 -4.902 5.146 1.00 0.00 N ATOM 285 CA ARG A 19 -5.457 -6.297 5.338 1.00 0.00 C ATOM 286 C ARG A 19 -6.081 -7.178 4.257 1.00 0.00 C ATOM 287 O ARG A 19 -7.257 -7.023 3.925 1.00 0.00 O ATOM 288 CB ARG A 19 -5.878 -6.788 6.727 1.00 0.00 C ATOM 289 CG ARG A 19 -5.338 -5.934 7.867 1.00 0.00 C ATOM 290 CD ARG A 19 -6.449 -5.474 8.803 1.00 0.00 C ATOM 291 NE ARG A 19 -6.307 -6.040 10.144 1.00 0.00 N ATOM 292 CZ ARG A 19 -5.375 -5.658 11.021 1.00 0.00 C ATOM 293 NH1 ARG A 19 -4.502 -4.704 10.708 1.00 0.00 N ATOM 294 NH2 ARG A 19 -5.319 -6.231 12.218 1.00 0.00 N ATOM 0 H ARG A 19 -6.758 -4.662 5.532 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.372 -6.363 5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.966 -6.806 6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.535 -7.814 6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.600 -6.505 8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.824 -5.064 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.442 -4.386 8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.415 -5.763 8.388 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.960 -6.771 10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.541 -4.258 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.794 -4.419 11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.987 -6.961 12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.608 -5.941 12.889 1.00 0.00 H new ATOM 308 N VAL A 20 -5.288 -8.095 3.706 1.00 0.00 N ATOM 309 CA VAL A 20 -5.767 -8.991 2.656 1.00 0.00 C ATOM 310 C VAL A 20 -5.900 -10.423 3.164 1.00 0.00 C ATOM 311 O VAL A 20 -4.940 -11.004 3.676 1.00 0.00 O ATOM 312 CB VAL A 20 -4.834 -8.980 1.428 1.00 0.00 C ATOM 313 CG1 VAL A 20 -5.453 -9.757 0.276 1.00 0.00 C ATOM 314 CG2 VAL A 20 -4.511 -7.553 1.004 1.00 0.00 C ATOM 0 H VAL A 20 -4.313 -8.237 3.969 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.749 -8.621 2.359 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.901 -9.469 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.779 -9.737 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.620 -10.790 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.404 -9.302 -0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.852 -7.572 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.433 -7.032 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.016 -7.033 1.824 1.00 0.00 H new ATOM 324 N ASP A 21 -7.097 -10.985 3.007 1.00 0.00 N ATOM 325 CA ASP A 21 -7.374 -12.353 3.438 1.00 0.00 C ATOM 326 C ASP A 21 -7.463 -13.299 2.240 1.00 0.00 C ATOM 327 O ASP A 21 -7.072 -14.464 2.332 1.00 0.00 O ATOM 328 CB ASP A 21 -8.676 -12.417 4.248 1.00 0.00 C ATOM 329 CG ASP A 21 -9.697 -11.370 3.835 1.00 0.00 C ATOM 330 OD1 ASP A 21 -10.193 -11.442 2.690 1.00 0.00 O ATOM 331 OD2 ASP A 21 -9.997 -10.477 4.655 1.00 0.00 O ATOM 0 H ASP A 21 -7.894 -10.511 2.582 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.547 -12.671 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.117 -13.408 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.444 -12.290 5.305 1.00 0.00 H new ATOM 336 N VAL A 22 -7.982 -12.793 1.120 1.00 0.00 N ATOM 337 CA VAL A 22 -8.127 -13.594 -0.091 1.00 0.00 C ATOM 338 C VAL A 22 -7.198 -13.096 -1.200 1.00 0.00 C ATOM 339 O VAL A 22 -6.953 -11.896 -1.326 1.00 0.00 O ATOM 340 CB VAL A 22 -9.587 -13.583 -0.599 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.036 -12.166 -0.937 1.00 0.00 C ATOM 342 CG2 VAL A 22 -9.751 -14.506 -1.800 1.00 0.00 C ATOM 0 H VAL A 22 -8.308 -11.831 1.029 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.851 -14.616 0.168 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.225 -13.955 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.066 -12.186 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.971 -11.541 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.392 -11.756 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.787 -14.481 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.097 -14.174 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.487 -15.524 -1.515 1.00 0.00 H new ATOM 352 N ASP A 23 -6.691 -14.032 -2.004 1.00 0.00 N ATOM 353 CA ASP A 23 -5.795 -13.696 -3.104 1.00 0.00 C ATOM 354 C ASP A 23 -6.418 -14.064 -4.449 1.00 0.00 C ATOM 355 O ASP A 23 -6.756 -15.224 -4.690 1.00 0.00 O ATOM 356 CB ASP A 23 -4.454 -14.420 -2.941 1.00 0.00 C ATOM 357 CG ASP A 23 -3.293 -13.630 -3.514 1.00 0.00 C ATOM 358 OD1 ASP A 23 -3.289 -13.379 -4.738 1.00 0.00 O ATOM 359 OD2 ASP A 23 -2.386 -13.263 -2.738 1.00 0.00 O ATOM 0 H ASP A 23 -6.888 -15.029 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.627 -12.619 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.273 -14.609 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.507 -15.391 -3.434 1.00 0.00 H new ATOM 364 N GLY A 24 -6.564 -13.066 -5.320 1.00 0.00 N ATOM 365 CA GLY A 24 -7.142 -13.299 -6.635 1.00 0.00 C ATOM 366 C GLY A 24 -6.244 -12.808 -7.757 1.00 0.00 C ATOM 367 O GLY A 24 -5.209 -13.411 -8.037 1.00 0.00 O ATOM 0 H GLY A 24 -6.292 -12.100 -5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.329 -14.365 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.107 -12.796 -6.699 1.00 0.00 H new ATOM 371 N ASP A 25 -6.645 -11.712 -8.401 1.00 0.00 N ATOM 372 CA ASP A 25 -5.871 -11.136 -9.503 1.00 0.00 C ATOM 373 C ASP A 25 -5.133 -9.861 -9.079 1.00 0.00 C ATOM 374 O ASP A 25 -4.286 -9.356 -9.819 1.00 0.00 O ATOM 375 CB ASP A 25 -6.788 -10.836 -10.691 1.00 0.00 C ATOM 376 CG ASP A 25 -6.805 -11.964 -11.707 1.00 0.00 C ATOM 377 OD1 ASP A 25 -5.759 -12.205 -12.343 1.00 0.00 O ATOM 378 OD2 ASP A 25 -7.865 -12.605 -11.862 1.00 0.00 O ATOM 0 H ASP A 25 -7.501 -11.204 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.122 -11.872 -9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.801 -10.661 -10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.460 -9.917 -11.177 1.00 0.00 H new ATOM 383 N ALA A 26 -5.455 -9.341 -7.892 1.00 0.00 N ATOM 384 CA ALA A 26 -4.818 -8.128 -7.385 1.00 0.00 C ATOM 385 C ALA A 26 -3.311 -8.318 -7.218 1.00 0.00 C ATOM 386 O ALA A 26 -2.848 -9.406 -6.875 1.00 0.00 O ATOM 387 CB ALA A 26 -5.452 -7.712 -6.064 1.00 0.00 C ATOM 0 H ALA A 26 -6.153 -9.742 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.974 -7.336 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.968 -6.807 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.514 -7.520 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.328 -8.511 -5.333 1.00 0.00 H new ATOM 393 N THR A 27 -2.550 -7.250 -7.467 1.00 0.00 N ATOM 394 CA THR A 27 -1.093 -7.295 -7.348 1.00 0.00 C ATOM 395 C THR A 27 -0.606 -6.397 -6.210 1.00 0.00 C ATOM 396 O THR A 27 -1.379 -5.625 -5.643 1.00 0.00 O ATOM 397 CB THR A 27 -0.434 -6.878 -8.668 1.00 0.00 C ATOM 398 OG1 THR A 27 -1.284 -7.143 -9.773 1.00 0.00 O ATOM 399 CG2 THR A 27 0.881 -7.578 -8.926 1.00 0.00 C ATOM 0 H THR A 27 -2.920 -6.343 -7.752 1.00 0.00 H new ATOM 0 HA THR A 27 -0.807 -8.322 -7.119 1.00 0.00 H new ATOM 0 HB THR A 27 -0.249 -5.809 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.840 -6.866 -10.601 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.294 -7.238 -9.876 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.580 -7.347 -8.122 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.718 -8.655 -8.966 1.00 0.00 H new ATOM 407 N VAL A 28 0.684 -6.503 -5.888 1.00 0.00 N ATOM 408 CA VAL A 28 1.279 -5.702 -4.823 1.00 0.00 C ATOM 409 C VAL A 28 1.478 -4.267 -5.285 1.00 0.00 C ATOM 410 O VAL A 28 1.284 -3.323 -4.516 1.00 0.00 O ATOM 411 CB VAL A 28 2.636 -6.280 -4.364 1.00 0.00 C ATOM 412 CG1 VAL A 28 3.155 -5.533 -3.145 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.523 -7.772 -4.074 1.00 0.00 C ATOM 0 H VAL A 28 1.335 -7.137 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 28 0.590 -5.726 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 28 3.351 -6.147 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.112 -5.957 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.287 -4.480 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.439 -5.627 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.492 -8.155 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.789 -7.935 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.207 -8.295 -4.977 1.00 0.00 H new ATOM 423 N GLY A 29 1.855 -4.107 -6.550 1.00 0.00 N ATOM 424 CA GLY A 29 2.063 -2.789 -7.098 1.00 0.00 C ATOM 425 C GLY A 29 0.790 -2.205 -7.685 1.00 0.00 C ATOM 426 O GLY A 29 0.568 -0.996 -7.619 1.00 0.00 O ATOM 0 H GLY A 29 2.019 -4.873 -7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.438 -2.128 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.830 -2.836 -7.871 1.00 0.00 H new ATOM 430 N ASP A 30 -0.050 -3.074 -8.254 1.00 0.00 N ATOM 431 CA ASP A 30 -1.318 -2.654 -8.853 1.00 0.00 C ATOM 432 C ASP A 30 -2.175 -1.884 -7.847 1.00 0.00 C ATOM 433 O ASP A 30 -2.732 -0.835 -8.170 1.00 0.00 O ATOM 434 CB ASP A 30 -2.090 -3.873 -9.370 1.00 0.00 C ATOM 435 CG ASP A 30 -3.411 -3.498 -10.016 1.00 0.00 C ATOM 436 OD1 ASP A 30 -3.389 -2.933 -11.130 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.468 -3.770 -9.408 1.00 0.00 O ATOM 0 H ASP A 30 0.127 -4.077 -8.312 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.092 -1.991 -9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.475 -4.407 -10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.276 -4.558 -8.543 1.00 0.00 H new ATOM 442 N ALA A 31 -2.266 -2.408 -6.624 1.00 0.00 N ATOM 443 CA ALA A 31 -3.043 -1.768 -5.566 1.00 0.00 C ATOM 444 C ALA A 31 -2.293 -0.572 -4.986 1.00 0.00 C ATOM 445 O ALA A 31 -2.905 0.350 -4.447 1.00 0.00 O ATOM 446 CB ALA A 31 -3.377 -2.767 -4.467 1.00 0.00 C ATOM 0 H ALA A 31 -1.810 -3.276 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.974 -1.408 -6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.956 -2.271 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.960 -3.587 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.454 -3.159 -4.039 1.00 0.00 H new ATOM 452 N LEU A 32 -0.963 -0.587 -5.106 1.00 0.00 N ATOM 453 CA LEU A 32 -0.141 0.504 -4.598 1.00 0.00 C ATOM 454 C LEU A 32 -0.413 1.770 -5.397 1.00 0.00 C ATOM 455 O LEU A 32 -0.822 2.789 -4.841 1.00 0.00 O ATOM 456 CB LEU A 32 1.344 0.143 -4.672 1.00 0.00 C ATOM 457 CG LEU A 32 2.296 1.187 -4.081 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.578 0.525 -3.601 1.00 0.00 C ATOM 459 CD2 LEU A 32 2.601 2.277 -5.103 1.00 0.00 C ATOM 0 H LEU A 32 -0.438 -1.341 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.399 0.677 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.499 -0.803 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.611 -0.020 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 32 1.808 1.652 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.244 1.281 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.341 -0.213 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.069 0.032 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.279 3.009 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.068 1.832 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.674 2.771 -5.396 1.00 0.00 H new ATOM 471 N ASP A 33 -0.198 1.691 -6.711 1.00 0.00 N ATOM 472 CA ASP A 33 -0.431 2.820 -7.599 1.00 0.00 C ATOM 473 C ASP A 33 -1.907 3.223 -7.591 1.00 0.00 C ATOM 474 O ASP A 33 -2.239 4.399 -7.751 1.00 0.00 O ATOM 475 CB ASP A 33 0.032 2.472 -9.018 1.00 0.00 C ATOM 476 CG ASP A 33 -0.901 1.514 -9.738 1.00 0.00 C ATOM 477 OD1 ASP A 33 -1.974 1.956 -10.198 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.550 0.323 -9.854 1.00 0.00 O ATOM 0 H ASP A 33 0.139 0.851 -7.181 1.00 0.00 H new ATOM 0 HA ASP A 33 0.148 3.672 -7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.118 3.390 -9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.028 2.031 -8.970 1.00 0.00 H new ATOM 483 N ALA A 34 -2.788 2.238 -7.394 1.00 0.00 N ATOM 484 CA ALA A 34 -4.226 2.492 -7.356 1.00 0.00 C ATOM 485 C ALA A 34 -4.616 3.227 -6.078 1.00 0.00 C ATOM 486 O ALA A 34 -5.325 4.228 -6.123 1.00 0.00 O ATOM 487 CB ALA A 34 -5.005 1.191 -7.475 1.00 0.00 C ATOM 0 H ALA A 34 -2.529 1.261 -7.259 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.477 3.126 -8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.074 1.403 -7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.758 0.704 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.742 0.532 -6.647 1.00 0.00 H new ATOM 493 N LEU A 35 -4.140 2.737 -4.936 1.00 0.00 N ATOM 494 CA LEU A 35 -4.440 3.369 -3.655 1.00 0.00 C ATOM 495 C LEU A 35 -3.842 4.777 -3.584 1.00 0.00 C ATOM 496 O LEU A 35 -4.290 5.607 -2.792 1.00 0.00 O ATOM 497 CB LEU A 35 -3.917 2.515 -2.495 1.00 0.00 C ATOM 498 CG LEU A 35 -4.926 1.521 -1.912 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.434 0.570 -2.988 1.00 0.00 C ATOM 500 CD2 LEU A 35 -4.302 0.742 -0.763 1.00 0.00 C ATOM 0 H LEU A 35 -3.548 1.909 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.524 3.451 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.042 1.962 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.583 3.179 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.776 2.084 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.149 -0.126 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.921 1.141 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.596 0.013 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.032 0.040 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.433 0.193 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.993 1.434 0.021 1.00 0.00 H new ATOM 512 N VAL A 36 -2.830 5.037 -4.414 1.00 0.00 N ATOM 513 CA VAL A 36 -2.175 6.344 -4.437 1.00 0.00 C ATOM 514 C VAL A 36 -2.917 7.348 -5.325 1.00 0.00 C ATOM 515 O VAL A 36 -3.167 8.481 -4.912 1.00 0.00 O ATOM 516 CB VAL A 36 -0.717 6.239 -4.929 1.00 0.00 C ATOM 517 CG1 VAL A 36 -0.083 7.619 -5.024 1.00 0.00 C ATOM 518 CG2 VAL A 36 0.094 5.332 -4.017 1.00 0.00 C ATOM 0 H VAL A 36 -2.448 4.362 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.190 6.702 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.722 5.798 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.945 7.524 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.649 8.232 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.091 8.091 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.119 5.272 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.092 5.738 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.347 4.335 -4.009 1.00 0.00 H new ATOM 528 N GLY A 37 -3.241 6.935 -6.551 1.00 0.00 N ATOM 529 CA GLY A 37 -3.920 7.831 -7.481 1.00 0.00 C ATOM 530 C GLY A 37 -5.324 7.387 -7.845 1.00 0.00 C ATOM 531 O GLY A 37 -6.214 8.218 -8.032 1.00 0.00 O ATOM 0 H GLY A 37 -3.048 6.003 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.967 8.828 -7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.327 7.911 -8.392 1.00 0.00 H new ATOM 535 N ALA A 38 -5.526 6.075 -7.946 1.00 0.00 N ATOM 536 CA ALA A 38 -6.836 5.517 -8.294 1.00 0.00 C ATOM 537 C ALA A 38 -7.831 5.595 -7.129 1.00 0.00 C ATOM 538 O ALA A 38 -8.989 5.196 -7.275 1.00 0.00 O ATOM 539 CB ALA A 38 -6.697 4.074 -8.770 1.00 0.00 C ATOM 0 H ALA A 38 -4.800 5.376 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.234 6.126 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.680 3.678 -9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.055 4.041 -9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.256 3.470 -7.977 1.00 0.00 H new ATOM 545 N HIS A 39 -7.389 6.118 -5.979 1.00 0.00 N ATOM 546 CA HIS A 39 -8.251 6.247 -4.815 1.00 0.00 C ATOM 547 C HIS A 39 -8.252 7.688 -4.308 1.00 0.00 C ATOM 548 O HIS A 39 -7.788 7.969 -3.199 1.00 0.00 O ATOM 549 CB HIS A 39 -7.803 5.290 -3.707 1.00 0.00 C ATOM 550 CG HIS A 39 -8.534 3.982 -3.720 1.00 0.00 C ATOM 551 ND1 HIS A 39 -8.160 2.920 -4.515 1.00 0.00 N ATOM 552 CD2 HIS A 39 -9.621 3.568 -3.028 1.00 0.00 C ATOM 553 CE1 HIS A 39 -8.985 1.909 -4.314 1.00 0.00 C ATOM 554 NE2 HIS A 39 -9.882 2.277 -3.415 1.00 0.00 N ATOM 0 H HIS A 39 -6.437 6.457 -5.837 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.267 5.983 -5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.734 5.102 -3.810 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.951 5.771 -2.740 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.179 4.146 -2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.936 0.946 -4.801 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.644 1.696 -3.066 1.00 0.00 H new ATOM 563 N PRO A 40 -8.786 8.628 -5.117 1.00 0.00 N ATOM 564 CA PRO A 40 -8.858 10.050 -4.748 1.00 0.00 C ATOM 565 C PRO A 40 -9.510 10.270 -3.381 1.00 0.00 C ATOM 566 O PRO A 40 -9.330 11.319 -2.767 1.00 0.00 O ATOM 567 CB PRO A 40 -9.728 10.654 -5.849 1.00 0.00 C ATOM 568 CG PRO A 40 -9.522 9.763 -7.020 1.00 0.00 C ATOM 569 CD PRO A 40 -9.368 8.381 -6.451 1.00 0.00 C ATOM 0 HA PRO A 40 -7.867 10.498 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.777 10.685 -5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.430 11.678 -6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.368 9.813 -7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.637 10.056 -7.585 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.325 7.865 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.715 7.762 -7.067 1.00 0.00 H new ATOM 577 N ALA A 41 -10.265 9.272 -2.910 1.00 0.00 N ATOM 578 CA ALA A 41 -10.936 9.356 -1.617 1.00 0.00 C ATOM 579 C ALA A 41 -9.956 9.719 -0.496 1.00 0.00 C ATOM 580 O ALA A 41 -10.349 10.335 0.488 1.00 0.00 O ATOM 581 CB ALA A 41 -11.639 8.043 -1.300 1.00 0.00 C ATOM 0 H ALA A 41 -10.424 8.397 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.679 10.151 -1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.135 8.120 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.379 7.831 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.907 7.236 -1.269 1.00 0.00 H new ATOM 587 N LEU A 42 -8.686 9.334 -0.654 1.00 0.00 N ATOM 588 CA LEU A 42 -7.662 9.631 0.348 1.00 0.00 C ATOM 589 C LEU A 42 -6.874 10.898 -0.013 1.00 0.00 C ATOM 590 O LEU A 42 -6.184 11.468 0.831 1.00 0.00 O ATOM 591 CB LEU A 42 -6.690 8.454 0.496 1.00 0.00 C ATOM 592 CG LEU A 42 -7.292 7.055 0.312 1.00 0.00 C ATOM 593 CD1 LEU A 42 -6.562 6.303 -0.792 1.00 0.00 C ATOM 594 CD2 LEU A 42 -7.235 6.272 1.617 1.00 0.00 C ATOM 0 H LEU A 42 -8.345 8.817 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.176 9.798 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.886 8.580 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.237 8.505 1.486 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.337 7.166 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.001 5.312 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.652 6.854 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.509 6.204 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.667 5.282 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.198 6.171 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.800 6.802 2.384 1.00 0.00 H new ATOM 606 N GLU A 43 -6.974 11.332 -1.270 1.00 0.00 N ATOM 607 CA GLU A 43 -6.262 12.526 -1.732 1.00 0.00 C ATOM 608 C GLU A 43 -6.898 13.802 -1.182 1.00 0.00 C ATOM 609 O GLU A 43 -8.115 13.983 -1.260 1.00 0.00 O ATOM 610 CB GLU A 43 -6.247 12.575 -3.263 1.00 0.00 C ATOM 611 CG GLU A 43 -4.932 12.120 -3.877 1.00 0.00 C ATOM 612 CD GLU A 43 -5.020 11.944 -5.380 1.00 0.00 C ATOM 613 OE1 GLU A 43 -5.394 10.838 -5.829 1.00 0.00 O ATOM 614 OE2 GLU A 43 -4.718 12.913 -6.109 1.00 0.00 O ATOM 0 H GLU A 43 -7.540 10.876 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.239 12.466 -1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.052 11.948 -3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.455 13.595 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.156 12.849 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.630 11.177 -3.422 1.00 0.00 H new ATOM 621 N SER A 44 -6.065 14.688 -0.634 1.00 0.00 N ATOM 622 CA SER A 44 -6.543 15.954 -0.076 1.00 0.00 C ATOM 623 C SER A 44 -6.560 17.056 -1.138 1.00 0.00 C ATOM 624 O SER A 44 -7.414 17.944 -1.102 1.00 0.00 O ATOM 625 CB SER A 44 -5.671 16.384 1.109 1.00 0.00 C ATOM 626 OG SER A 44 -4.328 15.971 0.935 1.00 0.00 O ATOM 0 H SER A 44 -5.056 14.552 -0.565 1.00 0.00 H new ATOM 0 HA SER A 44 -7.564 15.797 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.709 17.468 1.217 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.069 15.957 2.030 1.00 0.00 H new ATOM 0 HG SER A 44 -3.795 16.260 1.705 1.00 0.00 H new ATOM 632 N ARG A 45 -5.614 17.000 -2.078 1.00 0.00 N ATOM 633 CA ARG A 45 -5.527 17.998 -3.142 1.00 0.00 C ATOM 634 C ARG A 45 -5.042 17.371 -4.446 1.00 0.00 C ATOM 635 O ARG A 45 -4.503 16.262 -4.449 1.00 0.00 O ATOM 636 CB ARG A 45 -4.581 19.129 -2.731 1.00 0.00 C ATOM 637 CG ARG A 45 -5.264 20.249 -1.963 1.00 0.00 C ATOM 638 CD ARG A 45 -4.362 20.805 -0.869 1.00 0.00 C ATOM 639 NE ARG A 45 -5.112 21.555 0.138 1.00 0.00 N ATOM 640 CZ ARG A 45 -5.577 22.794 -0.042 1.00 0.00 C ATOM 641 NH1 ARG A 45 -5.381 23.429 -1.196 1.00 0.00 N ATOM 642 NH2 ARG A 45 -6.238 23.402 0.936 1.00 0.00 N ATOM 0 H ARG A 45 -4.899 16.274 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.526 18.403 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.780 18.716 -2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.116 19.545 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.539 21.049 -2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.188 19.877 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.830 19.985 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.609 21.454 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.291 21.103 1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.872 22.969 -1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.740 24.375 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.390 22.923 1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.594 24.348 0.800 1.00 0.00 H new ATOM 656 N VAL A 46 -5.226 18.093 -5.550 1.00 0.00 N ATOM 657 CA VAL A 46 -4.800 17.610 -6.860 1.00 0.00 C ATOM 658 C VAL A 46 -3.789 18.570 -7.493 1.00 0.00 C ATOM 659 O VAL A 46 -4.016 19.106 -8.578 1.00 0.00 O ATOM 660 CB VAL A 46 -5.998 17.416 -7.815 1.00 0.00 C ATOM 661 CG1 VAL A 46 -5.587 16.591 -9.024 1.00 0.00 C ATOM 662 CG2 VAL A 46 -7.168 16.761 -7.090 1.00 0.00 C ATOM 0 H VAL A 46 -5.667 19.013 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.326 16.641 -6.704 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.321 18.398 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.443 16.464 -9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.787 17.103 -9.559 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.235 15.613 -8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.000 16.634 -7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.861 15.787 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.481 17.393 -6.259 1.00 0.00 H new ATOM 672 N PHE A 47 -2.667 18.780 -6.800 1.00 0.00 N ATOM 673 CA PHE A 47 -1.616 19.670 -7.286 1.00 0.00 C ATOM 674 C PHE A 47 -0.250 19.239 -6.755 1.00 0.00 C ATOM 675 O PHE A 47 0.150 19.628 -5.656 1.00 0.00 O ATOM 676 CB PHE A 47 -1.906 21.117 -6.872 1.00 0.00 C ATOM 677 CG PHE A 47 -1.478 22.132 -7.894 1.00 0.00 C ATOM 678 CD1 PHE A 47 -0.174 22.603 -7.920 1.00 0.00 C ATOM 679 CD2 PHE A 47 -2.381 22.617 -8.828 1.00 0.00 C ATOM 680 CE1 PHE A 47 0.221 23.537 -8.859 1.00 0.00 C ATOM 681 CE2 PHE A 47 -1.990 23.552 -9.769 1.00 0.00 C ATOM 682 CZ PHE A 47 -0.688 24.012 -9.783 1.00 0.00 C ATOM 0 H PHE A 47 -2.465 18.344 -5.900 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.599 19.610 -8.374 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.975 21.226 -6.689 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.398 21.325 -5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.541 22.236 -7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.401 22.261 -8.820 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.240 23.895 -8.870 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.702 23.922 -10.492 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.381 24.743 -10.516 1.00 0.00 H new ATOM 692 N GLY A 48 0.457 18.430 -7.542 1.00 0.00 N ATOM 693 CA GLY A 48 1.771 17.951 -7.140 1.00 0.00 C ATOM 694 C GLY A 48 1.727 17.090 -5.891 1.00 0.00 C ATOM 695 O GLY A 48 2.671 17.090 -5.100 1.00 0.00 O ATOM 0 H GLY A 48 0.143 18.097 -8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.209 17.376 -7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.426 18.805 -6.964 1.00 0.00 H new ATOM 699 N ASP A 49 0.632 16.351 -5.713 1.00 0.00 N ATOM 700 CA ASP A 49 0.469 15.481 -4.550 1.00 0.00 C ATOM 701 C ASP A 49 1.006 14.077 -4.833 1.00 0.00 C ATOM 702 O ASP A 49 1.559 13.428 -3.944 1.00 0.00 O ATOM 703 CB ASP A 49 -1.007 15.405 -4.146 1.00 0.00 C ATOM 704 CG ASP A 49 -1.199 14.899 -2.727 1.00 0.00 C ATOM 705 OD1 ASP A 49 -0.959 15.678 -1.779 1.00 0.00 O ATOM 706 OD2 ASP A 49 -1.592 13.724 -2.564 1.00 0.00 O ATOM 0 H ASP A 49 -0.156 16.338 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 49 1.043 15.908 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.457 16.394 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.536 14.748 -4.837 1.00 0.00 H new ATOM 711 N ASP A 50 0.839 13.615 -6.073 1.00 0.00 N ATOM 712 CA ASP A 50 1.308 12.287 -6.473 1.00 0.00 C ATOM 713 C ASP A 50 2.837 12.215 -6.503 1.00 0.00 C ATOM 714 O ASP A 50 3.418 11.148 -6.294 1.00 0.00 O ATOM 715 CB ASP A 50 0.741 11.919 -7.846 1.00 0.00 C ATOM 716 CG ASP A 50 0.255 10.484 -7.906 1.00 0.00 C ATOM 717 OD1 ASP A 50 -0.827 10.199 -7.350 1.00 0.00 O ATOM 718 OD2 ASP A 50 0.954 9.645 -8.512 1.00 0.00 O ATOM 0 H ASP A 50 0.382 14.141 -6.818 1.00 0.00 H new ATOM 0 HA ASP A 50 0.953 11.572 -5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.084 12.589 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.508 12.072 -8.605 1.00 0.00 H new ATOM 723 N GLY A 51 3.481 13.353 -6.765 1.00 0.00 N ATOM 724 CA GLY A 51 4.934 13.393 -6.817 1.00 0.00 C ATOM 725 C GLY A 51 5.455 14.565 -7.630 1.00 0.00 C ATOM 726 O GLY A 51 5.385 14.551 -8.861 1.00 0.00 O ATOM 0 H GLY A 51 3.022 14.247 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.329 13.454 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.305 12.463 -7.248 1.00 0.00 H new ATOM 730 N GLU A 52 5.973 15.581 -6.942 1.00 0.00 N ATOM 731 CA GLU A 52 6.505 16.772 -7.606 1.00 0.00 C ATOM 732 C GLU A 52 7.956 16.556 -8.047 1.00 0.00 C ATOM 733 O GLU A 52 8.887 17.070 -7.426 1.00 0.00 O ATOM 734 CB GLU A 52 6.401 17.983 -6.673 1.00 0.00 C ATOM 735 CG GLU A 52 5.798 19.213 -7.333 1.00 0.00 C ATOM 736 CD GLU A 52 5.254 20.207 -6.326 1.00 0.00 C ATOM 737 OE1 GLU A 52 6.034 21.060 -5.854 1.00 0.00 O ATOM 738 OE2 GLU A 52 4.050 20.131 -6.007 1.00 0.00 O ATOM 0 H GLU A 52 6.036 15.604 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 52 5.910 16.962 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.796 17.713 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.395 18.231 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.556 19.700 -7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.996 18.905 -8.003 1.00 0.00 H new ATOM 745 N LEU A 53 8.131 15.787 -9.126 1.00 0.00 N ATOM 746 CA LEU A 53 9.457 15.484 -9.674 1.00 0.00 C ATOM 747 C LEU A 53 10.258 14.590 -8.723 1.00 0.00 C ATOM 748 O LEU A 53 10.482 13.413 -9.013 1.00 0.00 O ATOM 749 CB LEU A 53 10.232 16.774 -9.980 1.00 0.00 C ATOM 750 CG LEU A 53 11.564 16.572 -10.714 1.00 0.00 C ATOM 751 CD1 LEU A 53 11.858 17.749 -11.634 1.00 0.00 C ATOM 752 CD2 LEU A 53 12.699 16.377 -9.719 1.00 0.00 C ATOM 0 H LEU A 53 7.362 15.359 -9.642 1.00 0.00 H new ATOM 0 HA LEU A 53 9.312 14.941 -10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.599 17.427 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.427 17.294 -9.042 1.00 0.00 H new ATOM 0 HG LEU A 53 11.482 15.673 -11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.807 17.584 -12.144 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.061 17.842 -12.372 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.917 18.665 -11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.635 16.235 -10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.778 17.257 -9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.498 15.499 -9.105 1.00 0.00 H new ATOM 764 N TYR A 54 10.684 15.150 -7.590 1.00 0.00 N ATOM 765 CA TYR A 54 11.456 14.400 -6.604 1.00 0.00 C ATOM 766 C TYR A 54 10.699 14.317 -5.280 1.00 0.00 C ATOM 767 O TYR A 54 10.332 15.342 -4.700 1.00 0.00 O ATOM 768 CB TYR A 54 12.826 15.051 -6.383 1.00 0.00 C ATOM 769 CG TYR A 54 13.905 14.078 -5.950 1.00 0.00 C ATOM 770 CD1 TYR A 54 13.788 13.362 -4.766 1.00 0.00 C ATOM 771 CD2 TYR A 54 15.038 13.876 -6.729 1.00 0.00 C ATOM 772 CE1 TYR A 54 14.769 12.475 -4.368 1.00 0.00 C ATOM 773 CE2 TYR A 54 16.024 12.990 -6.338 1.00 0.00 C ATOM 774 CZ TYR A 54 15.884 12.290 -5.158 1.00 0.00 C ATOM 775 OH TYR A 54 16.862 11.408 -4.766 1.00 0.00 O ATOM 0 H TYR A 54 10.506 16.121 -7.334 1.00 0.00 H new ATOM 0 HA TYR A 54 11.605 13.391 -6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.139 15.538 -7.306 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.729 15.831 -5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.915 13.501 -4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 54 15.150 14.420 -7.655 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.663 11.929 -3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 54 16.900 12.847 -6.953 1.00 0.00 H new ATOM 0 HH TYR A 54 17.578 11.395 -5.435 1.00 0.00 H new ATOM 785 N ASP A 55 10.470 13.093 -4.807 1.00 0.00 N ATOM 786 CA ASP A 55 9.758 12.878 -3.552 1.00 0.00 C ATOM 787 C ASP A 55 10.234 11.604 -2.857 1.00 0.00 C ATOM 788 O ASP A 55 10.541 10.605 -3.510 1.00 0.00 O ATOM 789 CB ASP A 55 8.248 12.802 -3.800 1.00 0.00 C ATOM 790 CG ASP A 55 7.445 13.560 -2.757 1.00 0.00 C ATOM 791 OD1 ASP A 55 7.843 13.551 -1.570 1.00 0.00 O ATOM 792 OD2 ASP A 55 6.418 14.162 -3.127 1.00 0.00 O ATOM 0 H ASP A 55 10.768 12.237 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 55 9.972 13.725 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.025 13.205 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.937 11.757 -3.804 1.00 0.00 H new ATOM 797 N HIS A 56 10.289 11.652 -1.527 1.00 0.00 N ATOM 798 CA HIS A 56 10.725 10.507 -0.730 1.00 0.00 C ATOM 799 C HIS A 56 9.525 9.726 -0.199 1.00 0.00 C ATOM 800 O HIS A 56 8.495 10.309 0.141 1.00 0.00 O ATOM 801 CB HIS A 56 11.603 10.976 0.435 1.00 0.00 C ATOM 802 CG HIS A 56 12.954 11.474 0.014 1.00 0.00 C ATOM 803 ND1 HIS A 56 13.131 12.519 -0.873 1.00 0.00 N ATOM 804 CD2 HIS A 56 14.197 11.071 0.369 1.00 0.00 C ATOM 805 CE1 HIS A 56 14.423 12.733 -1.045 1.00 0.00 C ATOM 806 NE2 HIS A 56 15.091 11.870 -0.303 1.00 0.00 N ATOM 0 H HIS A 56 10.036 12.474 -0.978 1.00 0.00 H new ATOM 0 HA HIS A 56 11.308 9.847 -1.372 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.084 11.771 0.971 1.00 0.00 H new ATOM 0 HB3 HIS A 56 11.732 10.151 1.135 1.00 0.00 H new ATOM 0 HD2 HIS A 56 14.441 10.271 1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.859 13.486 -1.684 1.00 0.00 H new ATOM 0 HE2 HIS A 56 16.107 11.806 -0.239 1.00 0.00 H new ATOM 815 N ILE A 57 9.667 8.402 -0.126 1.00 0.00 N ATOM 816 CA ILE A 57 8.597 7.537 0.365 1.00 0.00 C ATOM 817 C ILE A 57 9.170 6.263 0.976 1.00 0.00 C ATOM 818 O ILE A 57 9.936 5.543 0.330 1.00 0.00 O ATOM 819 CB ILE A 57 7.607 7.148 -0.757 1.00 0.00 C ATOM 820 CG1 ILE A 57 8.360 6.741 -2.028 1.00 0.00 C ATOM 821 CG2 ILE A 57 6.649 8.297 -1.048 1.00 0.00 C ATOM 822 CD1 ILE A 57 7.514 5.967 -3.016 1.00 0.00 C ATOM 0 H ILE A 57 10.515 7.906 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 57 8.060 8.105 1.124 1.00 0.00 H new ATOM 0 HB ILE A 57 7.025 6.292 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.743 7.638 -2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.223 6.136 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.960 8.004 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.085 8.537 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.216 9.172 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.115 5.714 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.152 5.052 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.665 6.577 -3.324 1.00 0.00 H new ATOM 834 N ASN A 58 8.800 5.987 2.223 1.00 0.00 N ATOM 835 CA ASN A 58 9.282 4.796 2.913 1.00 0.00 C ATOM 836 C ASN A 58 8.235 3.687 2.884 1.00 0.00 C ATOM 837 O ASN A 58 7.049 3.930 3.116 1.00 0.00 O ATOM 838 CB ASN A 58 9.655 5.130 4.358 1.00 0.00 C ATOM 839 CG ASN A 58 10.907 5.981 4.450 1.00 0.00 C ATOM 840 OD1 ASN A 58 10.853 7.203 4.308 1.00 0.00 O ATOM 841 ND2 ASN A 58 12.047 5.340 4.691 1.00 0.00 N ATOM 0 H ASN A 58 8.170 6.570 2.774 1.00 0.00 H new ATOM 0 HA ASN A 58 10.171 4.442 2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.826 5.656 4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.806 4.205 4.914 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.920 5.862 4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.048 4.326 4.802 1.00 0.00 H new ATOM 848 N VAL A 59 8.685 2.469 2.590 1.00 0.00 N ATOM 849 CA VAL A 59 7.795 1.312 2.517 1.00 0.00 C ATOM 850 C VAL A 59 8.453 0.067 3.117 1.00 0.00 C ATOM 851 O VAL A 59 9.680 -0.048 3.140 1.00 0.00 O ATOM 852 CB VAL A 59 7.384 1.025 1.055 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.600 0.663 0.211 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.333 -0.077 0.995 1.00 0.00 C ATOM 0 H VAL A 59 9.664 2.257 2.398 1.00 0.00 H new ATOM 0 HA VAL A 59 6.904 1.551 3.098 1.00 0.00 H new ATOM 0 HB VAL A 59 6.945 1.933 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.286 0.465 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.309 1.491 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.077 -0.227 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.059 -0.262 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.738 -0.990 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.450 0.232 1.554 1.00 0.00 H new ATOM 864 N LEU A 60 7.628 -0.864 3.598 1.00 0.00 N ATOM 865 CA LEU A 60 8.126 -2.101 4.192 1.00 0.00 C ATOM 866 C LEU A 60 7.386 -3.313 3.631 1.00 0.00 C ATOM 867 O LEU A 60 6.158 -3.315 3.551 1.00 0.00 O ATOM 868 CB LEU A 60 7.976 -2.060 5.716 1.00 0.00 C ATOM 869 CG LEU A 60 9.165 -1.452 6.467 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.970 0.046 6.659 1.00 0.00 C ATOM 871 CD2 LEU A 60 9.359 -2.146 7.808 1.00 0.00 C ATOM 0 H LEU A 60 6.611 -0.783 3.587 1.00 0.00 H new ATOM 0 HA LEU A 60 9.182 -2.193 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.080 -1.491 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.818 -3.076 6.078 1.00 0.00 H new ATOM 0 HG LEU A 60 10.064 -1.604 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.825 0.459 7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.883 0.529 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.062 0.224 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.208 -1.702 8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.460 -2.027 8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.549 -3.207 7.645 1.00 0.00 H new ATOM 883 N ARG A 61 8.142 -4.341 3.248 1.00 0.00 N ATOM 884 CA ARG A 61 7.559 -5.564 2.700 1.00 0.00 C ATOM 885 C ARG A 61 8.389 -6.781 3.110 1.00 0.00 C ATOM 886 O ARG A 61 9.251 -7.238 2.359 1.00 0.00 O ATOM 887 CB ARG A 61 7.477 -5.466 1.170 1.00 0.00 C ATOM 888 CG ARG A 61 6.693 -6.597 0.520 1.00 0.00 C ATOM 889 CD ARG A 61 7.601 -7.530 -0.270 1.00 0.00 C ATOM 890 NE ARG A 61 6.961 -8.021 -1.493 1.00 0.00 N ATOM 891 CZ ARG A 61 5.919 -8.855 -1.509 1.00 0.00 C ATOM 892 NH1 ARG A 61 5.400 -9.308 -0.372 1.00 0.00 N ATOM 893 NH2 ARG A 61 5.398 -9.244 -2.667 1.00 0.00 N ATOM 0 H ARG A 61 9.160 -4.351 3.307 1.00 0.00 H new ATOM 0 HA ARG A 61 6.552 -5.683 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.015 -4.516 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.488 -5.456 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.168 -7.164 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.934 -6.180 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.521 -7.006 -0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.882 -8.377 0.356 1.00 0.00 H new ATOM 0 HE ARG A 61 7.335 -7.706 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.798 -9.018 0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.604 -9.945 -0.393 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.794 -8.905 -3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.602 -9.881 -2.680 1.00 0.00 H new ATOM 907 N ASN A 62 8.116 -7.300 4.311 1.00 0.00 N ATOM 908 CA ASN A 62 8.829 -8.468 4.844 1.00 0.00 C ATOM 909 C ASN A 62 10.355 -8.267 4.837 1.00 0.00 C ATOM 910 O ASN A 62 11.112 -9.238 4.902 1.00 0.00 O ATOM 911 CB ASN A 62 8.464 -9.725 4.045 1.00 0.00 C ATOM 912 CG ASN A 62 8.567 -10.990 4.878 1.00 0.00 C ATOM 913 OD1 ASN A 62 9.527 -11.749 4.756 1.00 0.00 O ATOM 914 ND2 ASN A 62 7.575 -11.224 5.732 1.00 0.00 N ATOM 0 H ASN A 62 7.402 -6.928 4.937 1.00 0.00 H new ATOM 0 HA ASN A 62 8.516 -8.592 5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.448 -9.627 3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.123 -9.807 3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.592 -12.059 6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.797 -10.568 5.802 1.00 0.00 H new ATOM 921 N GLY A 63 10.804 -7.012 4.747 1.00 0.00 N ATOM 922 CA GLY A 63 12.230 -6.725 4.716 1.00 0.00 C ATOM 923 C GLY A 63 12.811 -6.917 3.328 1.00 0.00 C ATOM 924 O GLY A 63 14.010 -7.150 3.173 1.00 0.00 O ATOM 0 H GLY A 63 10.203 -6.190 4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.402 -5.700 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.748 -7.376 5.420 1.00 0.00 H new ATOM 928 N GLU A 64 11.945 -6.831 2.319 1.00 0.00 N ATOM 929 CA GLU A 64 12.346 -7.006 0.933 1.00 0.00 C ATOM 930 C GLU A 64 11.669 -5.978 0.032 1.00 0.00 C ATOM 931 O GLU A 64 10.720 -5.304 0.441 1.00 0.00 O ATOM 932 CB GLU A 64 11.997 -8.416 0.464 1.00 0.00 C ATOM 933 CG GLU A 64 12.826 -8.897 -0.719 1.00 0.00 C ATOM 934 CD GLU A 64 13.298 -10.333 -0.566 1.00 0.00 C ATOM 935 OE1 GLU A 64 13.971 -10.633 0.443 1.00 0.00 O ATOM 936 OE2 GLU A 64 12.995 -11.153 -1.456 1.00 0.00 O ATOM 0 H GLU A 64 10.951 -6.639 2.443 1.00 0.00 H new ATOM 0 HA GLU A 64 13.424 -6.859 0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.132 -9.108 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.942 -8.447 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.234 -8.810 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.692 -8.246 -0.838 1.00 0.00 H new ATOM 943 N ALA A 65 12.162 -5.871 -1.199 1.00 0.00 N ATOM 944 CA ALA A 65 11.614 -4.936 -2.174 1.00 0.00 C ATOM 945 C ALA A 65 10.230 -5.388 -2.639 1.00 0.00 C ATOM 946 O ALA A 65 10.046 -6.533 -3.053 1.00 0.00 O ATOM 947 CB ALA A 65 12.556 -4.793 -3.363 1.00 0.00 C ATOM 0 H ALA A 65 12.945 -6.425 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 65 11.512 -3.963 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.132 -4.091 -4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.521 -4.421 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.690 -5.764 -3.840 1.00 0.00 H new ATOM 953 N ALA A 66 9.260 -4.480 -2.559 1.00 0.00 N ATOM 954 CA ALA A 66 7.885 -4.779 -2.963 1.00 0.00 C ATOM 955 C ALA A 66 7.808 -5.178 -4.437 1.00 0.00 C ATOM 956 O ALA A 66 8.687 -4.838 -5.229 1.00 0.00 O ATOM 957 CB ALA A 66 6.980 -3.586 -2.695 1.00 0.00 C ATOM 0 H ALA A 66 9.400 -3.529 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 66 7.543 -5.625 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.962 -3.826 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.993 -3.351 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.336 -2.725 -3.261 1.00 0.00 H new ATOM 963 N ALA A 67 6.746 -5.898 -4.794 1.00 0.00 N ATOM 964 CA ALA A 67 6.546 -6.345 -6.170 1.00 0.00 C ATOM 965 C ALA A 67 5.378 -5.613 -6.830 1.00 0.00 C ATOM 966 O ALA A 67 4.675 -4.836 -6.182 1.00 0.00 O ATOM 967 CB ALA A 67 6.316 -7.850 -6.204 1.00 0.00 C ATOM 0 H ALA A 67 6.010 -6.184 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 67 7.448 -6.110 -6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.168 -8.172 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.183 -8.360 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.432 -8.096 -5.616 1.00 0.00 H new ATOM 973 N LEU A 68 5.182 -5.865 -8.121 1.00 0.00 N ATOM 974 CA LEU A 68 4.100 -5.232 -8.877 1.00 0.00 C ATOM 975 C LEU A 68 3.596 -6.144 -10.008 1.00 0.00 C ATOM 976 O LEU A 68 2.966 -5.680 -10.959 1.00 0.00 O ATOM 977 CB LEU A 68 4.586 -3.881 -9.424 1.00 0.00 C ATOM 978 CG LEU A 68 3.620 -3.128 -10.351 1.00 0.00 C ATOM 979 CD1 LEU A 68 3.508 -1.668 -9.933 1.00 0.00 C ATOM 980 CD2 LEU A 68 4.077 -3.231 -11.803 1.00 0.00 C ATOM 0 H LEU A 68 5.758 -6.504 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 68 3.255 -5.062 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.820 -3.235 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.518 -4.047 -9.965 1.00 0.00 H new ATOM 0 HG LEU A 68 2.636 -3.590 -10.266 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.820 -1.150 -10.601 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.135 -1.610 -8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.490 -1.197 -9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.379 -2.691 -12.443 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.072 -2.797 -11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.107 -4.279 -12.102 1.00 0.00 H new ATOM 992 N GLY A 69 3.867 -7.449 -9.896 1.00 0.00 N ATOM 993 CA GLY A 69 3.425 -8.386 -10.918 1.00 0.00 C ATOM 994 C GLY A 69 3.103 -9.771 -10.376 1.00 0.00 C ATOM 995 O GLY A 69 3.063 -10.737 -11.141 1.00 0.00 O ATOM 0 H GLY A 69 4.381 -7.868 -9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.540 -7.983 -11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.201 -8.474 -11.679 1.00 0.00 H new ATOM 999 N GLU A 70 2.868 -9.873 -9.063 1.00 0.00 N ATOM 1000 CA GLU A 70 2.544 -11.156 -8.437 1.00 0.00 C ATOM 1001 C GLU A 70 2.363 -11.010 -6.926 1.00 0.00 C ATOM 1002 O GLU A 70 3.296 -11.242 -6.155 1.00 0.00 O ATOM 1003 CB GLU A 70 3.634 -12.197 -8.729 1.00 0.00 C ATOM 1004 CG GLU A 70 3.182 -13.318 -9.654 1.00 0.00 C ATOM 1005 CD GLU A 70 4.343 -13.990 -10.363 1.00 0.00 C ATOM 1006 OE1 GLU A 70 5.305 -14.396 -9.676 1.00 0.00 O ATOM 1007 OE2 GLU A 70 4.289 -14.111 -11.605 1.00 0.00 O ATOM 0 H GLU A 70 2.896 -9.084 -8.417 1.00 0.00 H new ATOM 0 HA GLU A 70 1.602 -11.497 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.493 -11.695 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.971 -12.630 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.633 -14.062 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.491 -12.917 -10.395 1.00 0.00 H new ATOM 1014 N ALA A 71 1.153 -10.639 -6.504 1.00 0.00 N ATOM 1015 CA ALA A 71 0.853 -10.482 -5.079 1.00 0.00 C ATOM 1016 C ALA A 71 0.514 -11.823 -4.418 1.00 0.00 C ATOM 1017 O ALA A 71 0.120 -11.862 -3.252 1.00 0.00 O ATOM 1018 CB ALA A 71 -0.294 -9.502 -4.883 1.00 0.00 C ATOM 0 H ALA A 71 0.368 -10.442 -7.125 1.00 0.00 H new ATOM 0 HA ALA A 71 1.749 -10.089 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.505 -9.396 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.018 -8.532 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.182 -9.875 -5.393 1.00 0.00 H new ATOM 1024 N THR A 72 0.676 -12.922 -5.160 1.00 0.00 N ATOM 1025 CA THR A 72 0.393 -14.252 -4.634 1.00 0.00 C ATOM 1026 C THR A 72 1.588 -14.805 -3.849 1.00 0.00 C ATOM 1027 O THR A 72 1.452 -15.776 -3.105 1.00 0.00 O ATOM 1028 CB THR A 72 0.013 -15.202 -5.780 1.00 0.00 C ATOM 1029 OG1 THR A 72 -0.185 -16.523 -5.304 1.00 0.00 O ATOM 1030 CG2 THR A 72 1.046 -15.260 -6.889 1.00 0.00 C ATOM 0 H THR A 72 1.002 -12.913 -6.126 1.00 0.00 H new ATOM 0 HA THR A 72 -0.448 -14.175 -3.945 1.00 0.00 H new ATOM 0 HB THR A 72 -0.910 -14.791 -6.190 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.242 -16.622 -4.428 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.710 -15.950 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.174 -14.267 -7.319 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.997 -15.605 -6.483 1.00 0.00 H new ATOM 1038 N ALA A 73 2.758 -14.179 -4.016 1.00 0.00 N ATOM 1039 CA ALA A 73 3.960 -14.610 -3.320 1.00 0.00 C ATOM 1040 C ALA A 73 4.337 -13.615 -2.229 1.00 0.00 C ATOM 1041 O ALA A 73 4.386 -12.406 -2.467 1.00 0.00 O ATOM 1042 CB ALA A 73 5.110 -14.792 -4.301 1.00 0.00 C ATOM 0 H ALA A 73 2.891 -13.374 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 73 3.756 -15.571 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.001 -15.115 -3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.841 -15.546 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.313 -13.846 -4.803 1.00 0.00 H new ATOM 1048 N ALA A 74 4.600 -14.137 -1.032 1.00 0.00 N ATOM 1049 CA ALA A 74 4.971 -13.311 0.115 1.00 0.00 C ATOM 1050 C ALA A 74 3.888 -12.276 0.452 1.00 0.00 C ATOM 1051 O ALA A 74 4.178 -11.245 1.063 1.00 0.00 O ATOM 1052 CB ALA A 74 6.306 -12.621 -0.142 1.00 0.00 C ATOM 0 H ALA A 74 4.562 -15.136 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 74 5.069 -13.971 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.571 -12.009 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.079 -13.372 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.224 -11.988 -1.025 1.00 0.00 H new ATOM 1058 N GLY A 75 2.643 -12.551 0.053 1.00 0.00 N ATOM 1059 CA GLY A 75 1.556 -11.628 0.323 1.00 0.00 C ATOM 1060 C GLY A 75 1.667 -10.353 -0.490 1.00 0.00 C ATOM 1061 O GLY A 75 1.846 -10.397 -1.708 1.00 0.00 O ATOM 0 H GLY A 75 2.373 -13.396 -0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.606 -12.115 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.548 -11.380 1.384 1.00 0.00 H new ATOM 1065 N ASP A 76 1.561 -9.215 0.189 1.00 0.00 N ATOM 1066 CA ASP A 76 1.649 -7.917 -0.472 1.00 0.00 C ATOM 1067 C ASP A 76 2.790 -7.087 0.110 1.00 0.00 C ATOM 1068 O ASP A 76 3.825 -6.909 -0.533 1.00 0.00 O ATOM 1069 CB ASP A 76 0.317 -7.170 -0.349 1.00 0.00 C ATOM 1070 CG ASP A 76 -0.584 -7.399 -1.550 1.00 0.00 C ATOM 1071 OD1 ASP A 76 -1.025 -8.550 -1.750 1.00 0.00 O ATOM 1072 OD2 ASP A 76 -0.849 -6.427 -2.286 1.00 0.00 O ATOM 0 H ASP A 76 1.414 -9.165 1.197 1.00 0.00 H new ATOM 0 HA ASP A 76 1.859 -8.081 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.197 -7.495 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.510 -6.103 -0.240 1.00 0.00 H new ATOM 1077 N GLU A 77 2.595 -6.587 1.327 1.00 0.00 N ATOM 1078 CA GLU A 77 3.610 -5.778 2.001 1.00 0.00 C ATOM 1079 C GLU A 77 3.338 -5.693 3.506 1.00 0.00 C ATOM 1080 O GLU A 77 2.526 -6.452 4.040 1.00 0.00 O ATOM 1081 CB GLU A 77 3.664 -4.375 1.381 1.00 0.00 C ATOM 1082 CG GLU A 77 2.352 -3.607 1.467 1.00 0.00 C ATOM 1083 CD GLU A 77 2.536 -2.185 1.974 1.00 0.00 C ATOM 1084 OE1 GLU A 77 3.369 -1.451 1.402 1.00 0.00 O ATOM 1085 OE2 GLU A 77 1.844 -1.805 2.943 1.00 0.00 O ATOM 0 H GLU A 77 1.742 -6.727 1.869 1.00 0.00 H new ATOM 0 HA GLU A 77 4.578 -6.260 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.443 -3.799 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.953 -4.463 0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.887 -3.580 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.667 -4.138 2.128 1.00 0.00 H new ATOM 1092 N LEU A 78 4.025 -4.774 4.186 1.00 0.00 N ATOM 1093 CA LEU A 78 3.858 -4.597 5.626 1.00 0.00 C ATOM 1094 C LEU A 78 3.191 -3.260 5.938 1.00 0.00 C ATOM 1095 O LEU A 78 2.160 -3.213 6.612 1.00 0.00 O ATOM 1096 CB LEU A 78 5.214 -4.682 6.337 1.00 0.00 C ATOM 1097 CG LEU A 78 5.613 -6.078 6.823 1.00 0.00 C ATOM 1098 CD1 LEU A 78 6.962 -6.031 7.529 1.00 0.00 C ATOM 1099 CD2 LEU A 78 4.542 -6.647 7.743 1.00 0.00 C ATOM 0 H LEU A 78 4.702 -4.141 3.761 1.00 0.00 H new ATOM 0 HA LEU A 78 3.215 -5.398 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.985 -4.318 5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.199 -4.008 7.193 1.00 0.00 H new ATOM 0 HG LEU A 78 5.704 -6.734 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.230 -7.032 7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.722 -5.666 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.900 -5.362 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.841 -7.640 8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.419 -5.993 8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.598 -6.716 7.203 1.00 0.00 H new ATOM 1111 N ALA A 79 3.789 -2.174 5.445 1.00 0.00 N ATOM 1112 CA ALA A 79 3.259 -0.832 5.671 1.00 0.00 C ATOM 1113 C ALA A 79 3.700 0.132 4.565 1.00 0.00 C ATOM 1114 O ALA A 79 4.628 -0.164 3.808 1.00 0.00 O ATOM 1115 CB ALA A 79 3.705 -0.318 7.033 1.00 0.00 C ATOM 0 H ALA A 79 4.642 -2.200 4.886 1.00 0.00 H new ATOM 0 HA ALA A 79 2.171 -0.887 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.305 0.683 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.336 -0.985 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.794 -0.284 7.070 1.00 0.00 H new ATOM 1121 N LEU A 80 3.030 1.284 4.481 1.00 0.00 N ATOM 1122 CA LEU A 80 3.345 2.293 3.473 1.00 0.00 C ATOM 1123 C LEU A 80 3.281 3.697 4.074 1.00 0.00 C ATOM 1124 O LEU A 80 2.220 4.159 4.495 1.00 0.00 O ATOM 1125 CB LEU A 80 2.377 2.190 2.290 1.00 0.00 C ATOM 1126 CG LEU A 80 2.920 2.730 0.962 1.00 0.00 C ATOM 1127 CD1 LEU A 80 3.299 1.586 0.033 1.00 0.00 C ATOM 1128 CD2 LEU A 80 1.902 3.646 0.296 1.00 0.00 C ATOM 0 H LEU A 80 2.263 1.540 5.103 1.00 0.00 H new ATOM 0 HA LEU A 80 4.359 2.110 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.102 1.144 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.464 2.730 2.539 1.00 0.00 H new ATOM 0 HG LEU A 80 3.817 3.313 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.682 1.990 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.067 0.973 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.420 0.974 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.308 4.018 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.985 3.090 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.683 4.487 0.954 1.00 0.00 H new ATOM 1140 N PHE A 81 4.425 4.366 4.113 1.00 0.00 N ATOM 1141 CA PHE A 81 4.513 5.716 4.663 1.00 0.00 C ATOM 1142 C PHE A 81 4.712 6.748 3.549 1.00 0.00 C ATOM 1143 O PHE A 81 5.787 6.827 2.952 1.00 0.00 O ATOM 1144 CB PHE A 81 5.662 5.803 5.671 1.00 0.00 C ATOM 1145 CG PHE A 81 5.368 5.128 6.984 1.00 0.00 C ATOM 1146 CD1 PHE A 81 5.025 3.785 7.030 1.00 0.00 C ATOM 1147 CD2 PHE A 81 5.438 5.838 8.171 1.00 0.00 C ATOM 1148 CE1 PHE A 81 4.755 3.165 8.235 1.00 0.00 C ATOM 1149 CE2 PHE A 81 5.171 5.224 9.378 1.00 0.00 C ATOM 1150 CZ PHE A 81 4.828 3.886 9.411 1.00 0.00 C ATOM 0 H PHE A 81 5.311 3.995 3.769 1.00 0.00 H new ATOM 0 HA PHE A 81 3.575 5.938 5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.553 5.353 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.893 6.852 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.968 3.217 6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.705 6.884 8.152 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.487 2.119 8.257 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.230 5.789 10.296 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.617 3.405 10.355 1.00 0.00 H new ATOM 1160 N PRO A 82 3.671 7.553 3.257 1.00 0.00 N ATOM 1161 CA PRO A 82 3.732 8.586 2.212 1.00 0.00 C ATOM 1162 C PRO A 82 4.612 9.774 2.613 1.00 0.00 C ATOM 1163 O PRO A 82 5.049 9.871 3.762 1.00 0.00 O ATOM 1164 CB PRO A 82 2.272 9.022 2.065 1.00 0.00 C ATOM 1165 CG PRO A 82 1.656 8.741 3.392 1.00 0.00 C ATOM 1166 CD PRO A 82 2.353 7.519 3.923 1.00 0.00 C ATOM 0 HA PRO A 82 4.175 8.209 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 82 2.199 10.079 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.772 8.468 1.271 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.783 9.587 4.068 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.584 8.568 3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.451 7.553 5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.805 6.608 3.681 1.00 0.00 H new ATOM 1174 N PRO A 83 4.884 10.698 1.668 1.00 0.00 N ATOM 1175 CA PRO A 83 5.716 11.879 1.931 1.00 0.00 C ATOM 1176 C PRO A 83 4.982 12.945 2.750 1.00 0.00 C ATOM 1177 O PRO A 83 3.838 12.742 3.164 1.00 0.00 O ATOM 1178 CB PRO A 83 6.031 12.400 0.530 1.00 0.00 C ATOM 1179 CG PRO A 83 4.875 11.972 -0.305 1.00 0.00 C ATOM 1180 CD PRO A 83 4.404 10.661 0.269 1.00 0.00 C ATOM 0 HA PRO A 83 6.599 11.634 2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.141 13.484 0.527 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.966 11.984 0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.079 12.717 -0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.170 11.857 -1.348 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.319 10.569 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.820 9.813 -0.275 1.00 0.00 H new