USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 398 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 17 LYS NZ :NH3+ -154:sc= -0.0535 (180deg=-0.347) USER MOD Single : A 21 ASN : amide:sc= -0.936 X(o=-0.94,f=-1.1) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -107:sc= -3.13 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.029 K(o=-0.029,f=-0.75) USER MOD Single : A 35 SER OG : rot 180:sc= -0.25 USER MOD Single : A 36 SER OG : rot -83:sc= 0.212 USER MOD Single : A 41 ASN : amide:sc= -0.907 K(o=-0.91,f=-0.26) USER MOD Single : A 44 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.03) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -4.7 K(o=-4.7,f=-7.2!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00569) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= -0.0163 (180deg=-0.13) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 16 -19.507 6.370 -7.154 1.00 0.00 N ATOM 2 CA ALA A 16 -18.574 7.106 -8.046 1.00 0.00 C ATOM 3 C ALA A 16 -17.795 8.164 -7.272 1.00 0.00 C ATOM 4 O ALA A 16 -17.375 9.175 -7.835 1.00 0.00 O ATOM 5 CB ALA A 16 -19.340 7.750 -9.190 1.00 0.00 C ATOM 0 HA ALA A 16 -17.860 6.391 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.645 8.286 -9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.850 6.978 -9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.075 8.448 -8.789 1.00 0.00 H new ATOM 13 N LYS A 17 -17.604 7.926 -5.978 1.00 0.00 N ATOM 14 CA LYS A 17 -16.875 8.860 -5.128 1.00 0.00 C ATOM 15 C LYS A 17 -15.372 8.610 -5.211 1.00 0.00 C ATOM 16 O LYS A 17 -14.846 7.708 -4.559 1.00 0.00 O ATOM 17 CB LYS A 17 -17.345 8.737 -3.678 1.00 0.00 C ATOM 18 CG LYS A 17 -18.807 9.105 -3.478 1.00 0.00 C ATOM 19 CD LYS A 17 -19.212 9.004 -2.017 1.00 0.00 C ATOM 20 CE LYS A 17 -20.178 10.112 -1.629 1.00 0.00 C ATOM 21 NZ LYS A 17 -19.532 11.453 -1.675 1.00 0.00 N ATOM 0 H LYS A 17 -17.944 7.094 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 17 -17.078 9.870 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.187 7.713 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -16.728 9.379 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -18.980 10.120 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -19.435 8.445 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.675 8.035 -1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.324 9.057 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -21.035 10.099 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.559 9.927 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -20.021 12.097 -1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.534 11.367 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -19.589 11.833 -2.642 1.00 0.00 H new ATOM 35 N ARG A 18 -14.687 9.416 -6.016 1.00 0.00 N ATOM 36 CA ARG A 18 -13.244 9.281 -6.184 1.00 0.00 C ATOM 37 C ARG A 18 -12.522 9.469 -4.853 1.00 0.00 C ATOM 38 O ARG A 18 -13.035 10.121 -3.944 1.00 0.00 O ATOM 39 CB ARG A 18 -12.733 10.301 -7.202 1.00 0.00 C ATOM 40 CG ARG A 18 -13.270 11.706 -6.978 1.00 0.00 C ATOM 41 CD ARG A 18 -12.155 12.685 -6.643 1.00 0.00 C ATOM 42 NE ARG A 18 -12.674 13.994 -6.256 1.00 0.00 N ATOM 43 CZ ARG A 18 -13.131 14.897 -7.121 1.00 0.00 C ATOM 44 NH1 ARG A 18 -13.135 14.635 -8.423 1.00 0.00 N ATOM 45 NH2 ARG A 18 -13.584 16.063 -6.685 1.00 0.00 N ATOM 0 H ARG A 18 -15.107 10.169 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.037 8.275 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.644 10.327 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.008 9.971 -8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.794 12.043 -7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.999 11.693 -6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.549 12.281 -5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.499 12.796 -7.506 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.687 14.231 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.787 13.739 -8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.486 15.330 -9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.583 16.269 -5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.934 16.754 -7.348 1.00 0.00 H new ATOM 59 N GLU A 19 -11.330 8.892 -4.745 1.00 0.00 N ATOM 60 CA GLU A 19 -10.539 8.996 -3.523 1.00 0.00 C ATOM 61 C GLU A 19 -9.048 8.886 -3.826 1.00 0.00 C ATOM 62 O GLU A 19 -8.414 7.878 -3.514 1.00 0.00 O ATOM 63 CB GLU A 19 -10.953 7.909 -2.529 1.00 0.00 C ATOM 64 CG GLU A 19 -10.611 8.243 -1.086 1.00 0.00 C ATOM 65 CD GLU A 19 -11.605 7.657 -0.102 1.00 0.00 C ATOM 66 OE1 GLU A 19 -12.792 7.525 -0.466 1.00 0.00 O ATOM 67 OE2 GLU A 19 -11.195 7.331 1.032 1.00 0.00 O ATOM 0 H GLU A 19 -10.890 8.348 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.728 9.974 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.027 7.744 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.465 6.973 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.614 7.868 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.580 9.326 -0.965 1.00 0.00 H new ATOM 74 N PHE A 20 -8.496 9.934 -4.435 1.00 0.00 N ATOM 75 CA PHE A 20 -7.076 9.973 -4.786 1.00 0.00 C ATOM 76 C PHE A 20 -6.623 8.671 -5.444 1.00 0.00 C ATOM 77 O PHE A 20 -7.438 7.801 -5.757 1.00 0.00 O ATOM 78 CB PHE A 20 -6.227 10.255 -3.541 1.00 0.00 C ATOM 79 CG PHE A 20 -6.314 9.185 -2.489 1.00 0.00 C ATOM 80 CD1 PHE A 20 -5.734 7.941 -2.691 1.00 0.00 C ATOM 81 CD2 PHE A 20 -6.977 9.424 -1.296 1.00 0.00 C ATOM 82 CE1 PHE A 20 -5.815 6.958 -1.723 1.00 0.00 C ATOM 83 CE2 PHE A 20 -7.061 8.444 -0.325 1.00 0.00 C ATOM 84 CZ PHE A 20 -6.479 7.210 -0.539 1.00 0.00 C ATOM 0 H PHE A 20 -9.014 10.773 -4.697 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.937 10.779 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.186 10.371 -3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.541 11.204 -3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.213 7.738 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.433 10.387 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.359 5.994 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.581 8.643 0.600 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.543 6.443 0.219 1.00 0.00 H new ATOM 94 N ASN A 21 -5.316 8.545 -5.652 1.00 0.00 N ATOM 95 CA ASN A 21 -4.748 7.353 -6.269 1.00 0.00 C ATOM 96 C ASN A 21 -5.059 6.107 -5.450 1.00 0.00 C ATOM 97 O ASN A 21 -4.396 5.825 -4.450 1.00 0.00 O ATOM 98 CB ASN A 21 -3.236 7.507 -6.425 1.00 0.00 C ATOM 99 CG ASN A 21 -2.860 8.697 -7.286 1.00 0.00 C ATOM 100 OD1 ASN A 21 -2.750 9.822 -6.797 1.00 0.00 O ATOM 101 ND2 ASN A 21 -2.661 8.455 -8.577 1.00 0.00 N ATOM 0 H ASN A 21 -4.629 9.256 -5.401 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.202 7.238 -7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.782 7.617 -5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.825 6.599 -6.866 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.406 9.217 -9.205 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.763 7.507 -8.940 1.00 0.00 H new ATOM 108 N GLU A 22 -6.066 5.357 -5.885 1.00 0.00 N ATOM 109 CA GLU A 22 -6.460 4.133 -5.198 1.00 0.00 C ATOM 110 C GLU A 22 -5.482 3.010 -5.519 1.00 0.00 C ATOM 111 O GLU A 22 -5.661 2.273 -6.489 1.00 0.00 O ATOM 112 CB GLU A 22 -7.878 3.727 -5.606 1.00 0.00 C ATOM 113 CG GLU A 22 -8.955 4.256 -4.672 1.00 0.00 C ATOM 114 CD GLU A 22 -9.866 5.265 -5.345 1.00 0.00 C ATOM 115 OE1 GLU A 22 -10.549 4.890 -6.322 1.00 0.00 O ATOM 116 OE2 GLU A 22 -9.897 6.430 -4.894 1.00 0.00 O ATOM 0 H GLU A 22 -6.624 5.576 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.444 4.317 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.074 4.089 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.940 2.639 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.552 3.422 -4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.484 4.719 -3.805 1.00 0.00 H new ATOM 123 N ASN A 23 -4.439 2.892 -4.705 1.00 0.00 N ATOM 124 CA ASN A 23 -3.422 1.869 -4.911 1.00 0.00 C ATOM 125 C ASN A 23 -2.729 2.074 -6.249 1.00 0.00 C ATOM 126 O ASN A 23 -2.955 1.337 -7.208 1.00 0.00 O ATOM 127 CB ASN A 23 -4.035 0.481 -4.867 1.00 0.00 C ATOM 128 CG ASN A 23 -4.876 0.252 -3.626 1.00 0.00 C ATOM 129 OD1 ASN A 23 -6.075 -0.013 -3.715 1.00 0.00 O ATOM 130 ND2 ASN A 23 -4.250 0.354 -2.460 1.00 0.00 N ATOM 0 H ASN A 23 -4.276 3.492 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.691 1.957 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.653 0.333 -5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.240 -0.264 -4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.764 0.211 -1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.255 0.575 -2.433 1.00 0.00 H new ATOM 137 N ARG A 24 -1.896 3.094 -6.296 1.00 0.00 N ATOM 138 CA ARG A 24 -1.158 3.448 -7.506 1.00 0.00 C ATOM 139 C ARG A 24 0.058 4.303 -7.162 1.00 0.00 C ATOM 140 O ARG A 24 1.203 3.910 -7.387 1.00 0.00 O ATOM 141 CB ARG A 24 -2.065 4.228 -8.464 1.00 0.00 C ATOM 142 CG ARG A 24 -3.460 3.641 -8.609 1.00 0.00 C ATOM 143 CD ARG A 24 -4.285 4.407 -9.629 1.00 0.00 C ATOM 144 NE ARG A 24 -5.214 3.536 -10.344 1.00 0.00 N ATOM 145 CZ ARG A 24 -5.994 3.943 -11.342 1.00 0.00 C ATOM 146 NH1 ARG A 24 -5.963 5.208 -11.745 1.00 0.00 N ATOM 147 NH2 ARG A 24 -6.809 3.084 -11.939 1.00 0.00 N ATOM 0 H ARG A 24 -1.707 3.704 -5.501 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.824 2.527 -7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.149 5.256 -8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.593 4.265 -9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.386 2.596 -8.910 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.965 3.659 -7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.843 5.197 -9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.620 4.892 -10.343 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.268 2.557 -10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.339 5.873 -11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.563 5.514 -12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.838 2.111 -11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.407 3.396 -12.704 1.00 0.00 H new ATOM 161 N TYR A 25 -0.219 5.478 -6.614 1.00 0.00 N ATOM 162 CA TYR A 25 0.810 6.433 -6.219 1.00 0.00 C ATOM 163 C TYR A 25 1.816 5.828 -5.243 1.00 0.00 C ATOM 164 O TYR A 25 2.895 6.382 -5.029 1.00 0.00 O ATOM 165 CB TYR A 25 0.144 7.643 -5.559 1.00 0.00 C ATOM 166 CG TYR A 25 -0.407 7.359 -4.169 1.00 0.00 C ATOM 167 CD1 TYR A 25 -0.885 6.096 -3.830 1.00 0.00 C ATOM 168 CD2 TYR A 25 -0.440 8.348 -3.195 1.00 0.00 C ATOM 169 CE1 TYR A 25 -1.378 5.827 -2.572 1.00 0.00 C ATOM 170 CE2 TYR A 25 -0.934 8.088 -1.929 1.00 0.00 C ATOM 171 CZ TYR A 25 -1.402 6.826 -1.622 1.00 0.00 C ATOM 172 OH TYR A 25 -1.893 6.563 -0.364 1.00 0.00 O ATOM 0 H TYR A 25 -1.170 5.799 -6.429 1.00 0.00 H new ATOM 0 HA TYR A 25 1.352 6.726 -7.118 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.869 8.454 -5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.668 7.992 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.869 5.309 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.074 9.337 -3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.743 4.840 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.953 8.869 -1.184 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.838 7.373 0.185 1.00 0.00 H new ATOM 182 N LEU A 26 1.443 4.720 -4.627 1.00 0.00 N ATOM 183 CA LEU A 26 2.293 4.073 -3.642 1.00 0.00 C ATOM 184 C LEU A 26 2.315 2.562 -3.837 1.00 0.00 C ATOM 185 O LEU A 26 3.347 1.917 -3.666 1.00 0.00 O ATOM 186 CB LEU A 26 1.784 4.443 -2.241 1.00 0.00 C ATOM 187 CG LEU A 26 1.267 3.286 -1.374 1.00 0.00 C ATOM 188 CD1 LEU A 26 2.423 2.541 -0.725 1.00 0.00 C ATOM 189 CD2 LEU A 26 0.308 3.806 -0.314 1.00 0.00 C ATOM 0 H LEU A 26 0.554 4.248 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 26 3.319 4.421 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.593 4.938 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.982 5.172 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 26 0.730 2.589 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.034 1.726 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.075 2.136 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.990 3.227 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.050 2.974 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.824 4.524 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.539 4.293 -0.797 1.00 0.00 H new ATOM 201 N THR A 27 1.165 2.001 -4.182 1.00 0.00 N ATOM 202 CA THR A 27 1.046 0.566 -4.383 1.00 0.00 C ATOM 203 C THR A 27 2.174 0.027 -5.273 1.00 0.00 C ATOM 204 O THR A 27 3.183 -0.472 -4.776 1.00 0.00 O ATOM 205 CB THR A 27 -0.327 0.236 -4.983 1.00 0.00 C ATOM 206 OG1 THR A 27 -1.323 0.250 -3.976 1.00 0.00 O ATOM 207 CG2 THR A 27 -0.393 -1.115 -5.666 1.00 0.00 C ATOM 0 H THR A 27 0.299 2.520 -4.329 1.00 0.00 H new ATOM 0 HA THR A 27 1.137 0.076 -3.413 1.00 0.00 H new ATOM 0 HB THR A 27 -0.498 1.006 -5.735 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.601 -0.669 -3.778 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.396 -1.273 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.330 -1.146 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.161 -1.899 -4.945 1.00 0.00 H new ATOM 215 N GLU A 28 1.986 0.122 -6.586 1.00 0.00 N ATOM 216 CA GLU A 28 2.973 -0.365 -7.547 1.00 0.00 C ATOM 217 C GLU A 28 4.309 0.367 -7.428 1.00 0.00 C ATOM 218 O GLU A 28 5.368 -0.225 -7.637 1.00 0.00 O ATOM 219 CB GLU A 28 2.434 -0.218 -8.971 1.00 0.00 C ATOM 220 CG GLU A 28 1.115 -0.938 -9.200 1.00 0.00 C ATOM 221 CD GLU A 28 0.953 -1.418 -10.629 1.00 0.00 C ATOM 222 OE1 GLU A 28 0.973 -0.570 -11.546 1.00 0.00 O ATOM 223 OE2 GLU A 28 0.807 -2.642 -10.830 1.00 0.00 O ATOM 0 H GLU A 28 1.155 0.534 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 28 3.151 -1.416 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.304 0.841 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.175 -0.602 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.049 -1.791 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.292 -0.269 -8.950 1.00 0.00 H new ATOM 230 N ARG A 29 4.258 1.658 -7.115 1.00 0.00 N ATOM 231 CA ARG A 29 5.473 2.461 -6.999 1.00 0.00 C ATOM 232 C ARG A 29 6.323 2.032 -5.807 1.00 0.00 C ATOM 233 O ARG A 29 7.530 1.829 -5.937 1.00 0.00 O ATOM 234 CB ARG A 29 5.114 3.943 -6.873 1.00 0.00 C ATOM 235 CG ARG A 29 6.325 4.861 -6.831 1.00 0.00 C ATOM 236 CD ARG A 29 7.115 4.801 -8.128 1.00 0.00 C ATOM 237 NE ARG A 29 6.362 5.349 -9.254 1.00 0.00 N ATOM 238 CZ ARG A 29 6.893 5.603 -10.448 1.00 0.00 C ATOM 239 NH1 ARG A 29 8.178 5.360 -10.676 1.00 0.00 N ATOM 240 NH2 ARG A 29 6.137 6.100 -11.418 1.00 0.00 N ATOM 0 H ARG A 29 3.394 2.170 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 29 6.060 2.302 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.482 4.228 -7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.525 4.090 -5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.000 5.885 -6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.969 4.578 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.046 5.355 -8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.384 3.766 -8.341 1.00 0.00 H new ATOM 0 HE ARG A 29 5.371 5.549 -9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.764 4.977 -9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.579 5.557 -11.593 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.149 6.288 -11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.544 6.295 -12.333 1.00 0.00 H new ATOM 254 N ARG A 30 5.692 1.902 -4.647 1.00 0.00 N ATOM 255 CA ARG A 30 6.400 1.502 -3.435 1.00 0.00 C ATOM 256 C ARG A 30 6.619 -0.007 -3.389 1.00 0.00 C ATOM 257 O ARG A 30 7.529 -0.489 -2.715 1.00 0.00 O ATOM 258 CB ARG A 30 5.633 1.957 -2.192 1.00 0.00 C ATOM 259 CG ARG A 30 6.534 2.398 -1.050 1.00 0.00 C ATOM 260 CD ARG A 30 5.764 2.528 0.255 1.00 0.00 C ATOM 261 NE ARG A 30 5.745 3.904 0.745 1.00 0.00 N ATOM 262 CZ ARG A 30 5.189 4.274 1.896 1.00 0.00 C ATOM 263 NH1 ARG A 30 4.605 3.375 2.678 1.00 0.00 N ATOM 264 NH2 ARG A 30 5.218 5.547 2.267 1.00 0.00 N ATOM 0 H ARG A 30 4.694 2.067 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 30 7.377 1.986 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.974 2.782 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.997 1.141 -1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.343 1.678 -0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.994 3.354 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.741 2.181 0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.215 1.881 1.008 1.00 0.00 H new ATOM 0 HE ARG A 30 6.184 4.624 0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.581 2.394 2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.180 3.664 3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.666 6.242 1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.792 5.831 3.149 1.00 0.00 H new ATOM 278 N ARG A 31 5.780 -0.750 -4.103 1.00 0.00 N ATOM 279 CA ARG A 31 5.884 -2.205 -4.135 1.00 0.00 C ATOM 280 C ARG A 31 7.249 -2.647 -4.652 1.00 0.00 C ATOM 281 O ARG A 31 7.832 -3.609 -4.152 1.00 0.00 O ATOM 282 CB ARG A 31 4.780 -2.794 -5.016 1.00 0.00 C ATOM 283 CG ARG A 31 3.538 -3.208 -4.244 1.00 0.00 C ATOM 284 CD ARG A 31 2.396 -3.567 -5.180 1.00 0.00 C ATOM 285 NE ARG A 31 2.833 -4.435 -6.272 1.00 0.00 N ATOM 286 CZ ARG A 31 2.159 -4.595 -7.409 1.00 0.00 C ATOM 287 NH1 ARG A 31 1.015 -3.953 -7.607 1.00 0.00 N ATOM 288 NH2 ARG A 31 2.631 -5.401 -8.350 1.00 0.00 N ATOM 0 H ARG A 31 5.020 -0.369 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 31 5.767 -2.573 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.500 -2.060 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.174 -3.662 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.771 -4.062 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.229 -2.396 -3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.608 -4.064 -4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.965 -2.655 -5.593 1.00 0.00 H new ATOM 0 HE ARG A 31 3.706 -4.949 -6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.647 -3.332 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.504 -4.080 -8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.510 -5.898 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.116 -5.524 -9.221 1.00 0.00 H new ATOM 302 N GLN A 32 7.748 -1.942 -5.659 1.00 0.00 N ATOM 303 CA GLN A 32 9.042 -2.264 -6.251 1.00 0.00 C ATOM 304 C GLN A 32 10.178 -2.034 -5.257 1.00 0.00 C ATOM 305 O GLN A 32 11.060 -2.879 -5.104 1.00 0.00 O ATOM 306 CB GLN A 32 9.270 -1.425 -7.511 1.00 0.00 C ATOM 307 CG GLN A 32 9.560 -2.256 -8.751 1.00 0.00 C ATOM 308 CD GLN A 32 11.043 -2.364 -9.048 1.00 0.00 C ATOM 309 OE1 GLN A 32 11.696 -3.332 -8.660 1.00 0.00 O ATOM 310 NE2 GLN A 32 11.582 -1.367 -9.739 1.00 0.00 N ATOM 0 H GLN A 32 7.277 -1.143 -6.084 1.00 0.00 H new ATOM 0 HA GLN A 32 9.035 -3.320 -6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.388 -0.811 -7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.103 -0.743 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.146 -3.256 -8.619 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.053 -1.812 -9.608 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.002 -0.584 -10.041 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.576 -1.384 -9.968 1.00 0.00 H new ATOM 319 N GLN A 33 10.155 -0.884 -4.591 1.00 0.00 N ATOM 320 CA GLN A 33 11.189 -0.542 -3.620 1.00 0.00 C ATOM 321 C GLN A 33 11.008 -1.317 -2.318 1.00 0.00 C ATOM 322 O GLN A 33 11.984 -1.717 -1.685 1.00 0.00 O ATOM 323 CB GLN A 33 11.174 0.961 -3.337 1.00 0.00 C ATOM 324 CG GLN A 33 11.522 1.813 -4.548 1.00 0.00 C ATOM 325 CD GLN A 33 11.182 3.277 -4.346 1.00 0.00 C ATOM 326 OE1 GLN A 33 10.158 3.612 -3.750 1.00 0.00 O ATOM 327 NE2 GLN A 33 12.041 4.158 -4.844 1.00 0.00 N ATOM 0 H GLN A 33 9.432 -0.173 -4.706 1.00 0.00 H new ATOM 0 HA GLN A 33 12.152 -0.819 -4.049 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.185 1.244 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.880 1.178 -2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.586 1.717 -4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.986 1.436 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.877 3.836 -5.331 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.865 5.157 -4.740 1.00 0.00 H new ATOM 336 N LEU A 34 9.757 -1.521 -1.918 1.00 0.00 N ATOM 337 CA LEU A 34 9.462 -2.243 -0.685 1.00 0.00 C ATOM 338 C LEU A 34 9.930 -3.689 -0.774 1.00 0.00 C ATOM 339 O LEU A 34 10.423 -4.252 0.203 1.00 0.00 O ATOM 340 CB LEU A 34 7.964 -2.194 -0.384 1.00 0.00 C ATOM 341 CG LEU A 34 7.509 -0.970 0.411 1.00 0.00 C ATOM 342 CD1 LEU A 34 5.993 -0.937 0.525 1.00 0.00 C ATOM 343 CD2 LEU A 34 8.149 -0.964 1.791 1.00 0.00 C ATOM 0 H LEU A 34 8.934 -1.198 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 34 10.003 -1.757 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.417 -2.221 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.689 -3.092 0.170 1.00 0.00 H new ATOM 0 HG LEU A 34 7.831 -0.075 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.690 -0.058 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.554 -0.893 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.647 -1.836 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.814 -0.086 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.858 -1.865 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.234 -0.937 1.689 1.00 0.00 H new ATOM 355 N SER A 35 9.777 -4.284 -1.948 1.00 0.00 N ATOM 356 CA SER A 35 10.191 -5.665 -2.156 1.00 0.00 C ATOM 357 C SER A 35 11.705 -5.801 -2.018 1.00 0.00 C ATOM 358 O SER A 35 12.198 -6.620 -1.242 1.00 0.00 O ATOM 359 CB SER A 35 9.744 -6.150 -3.535 1.00 0.00 C ATOM 360 OG SER A 35 8.497 -6.819 -3.462 1.00 0.00 O ATOM 0 H SER A 35 9.371 -3.835 -2.769 1.00 0.00 H new ATOM 0 HA SER A 35 9.717 -6.283 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.665 -5.301 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.496 -6.821 -3.949 1.00 0.00 H new ATOM 0 HG SER A 35 8.233 -7.118 -4.357 1.00 0.00 H new ATOM 366 N SER A 36 12.436 -4.989 -2.775 1.00 0.00 N ATOM 367 CA SER A 36 13.895 -5.011 -2.741 1.00 0.00 C ATOM 368 C SER A 36 14.433 -4.489 -1.409 1.00 0.00 C ATOM 369 O SER A 36 15.427 -4.997 -0.889 1.00 0.00 O ATOM 370 CB SER A 36 14.464 -4.180 -3.892 1.00 0.00 C ATOM 371 OG SER A 36 13.939 -2.863 -3.880 1.00 0.00 O ATOM 0 H SER A 36 12.041 -4.306 -3.421 1.00 0.00 H new ATOM 0 HA SER A 36 14.213 -6.048 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.551 -4.142 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.229 -4.660 -4.842 1.00 0.00 H new ATOM 0 HG SER A 36 13.064 -2.855 -4.322 1.00 0.00 H new ATOM 377 N GLU A 37 13.782 -3.461 -0.873 1.00 0.00 N ATOM 378 CA GLU A 37 14.205 -2.854 0.386 1.00 0.00 C ATOM 379 C GLU A 37 14.057 -3.820 1.558 1.00 0.00 C ATOM 380 O GLU A 37 14.956 -3.940 2.390 1.00 0.00 O ATOM 381 CB GLU A 37 13.398 -1.582 0.657 1.00 0.00 C ATOM 382 CG GLU A 37 13.875 -0.806 1.873 1.00 0.00 C ATOM 383 CD GLU A 37 12.840 0.181 2.377 1.00 0.00 C ATOM 384 OE1 GLU A 37 12.775 1.304 1.833 1.00 0.00 O ATOM 385 OE2 GLU A 37 12.093 -0.169 3.315 1.00 0.00 O ATOM 0 H GLU A 37 12.958 -3.030 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 37 15.261 -2.602 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.450 -0.936 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.350 -1.849 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.124 -1.505 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.790 -0.270 1.622 1.00 0.00 H new ATOM 392 N LEU A 38 12.918 -4.500 1.627 1.00 0.00 N ATOM 393 CA LEU A 38 12.662 -5.444 2.711 1.00 0.00 C ATOM 394 C LEU A 38 13.253 -6.818 2.403 1.00 0.00 C ATOM 395 O LEU A 38 13.479 -7.621 3.309 1.00 0.00 O ATOM 396 CB LEU A 38 11.159 -5.567 2.968 1.00 0.00 C ATOM 397 CG LEU A 38 10.530 -4.382 3.703 1.00 0.00 C ATOM 398 CD1 LEU A 38 10.243 -3.245 2.736 1.00 0.00 C ATOM 399 CD2 LEU A 38 9.257 -4.814 4.415 1.00 0.00 C ATOM 0 H LEU A 38 12.160 -4.417 0.949 1.00 0.00 H new ATOM 0 HA LEU A 38 13.147 -5.059 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.651 -5.693 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.978 -6.472 3.547 1.00 0.00 H new ATOM 0 HG LEU A 38 11.238 -4.024 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.796 -2.411 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.174 -2.919 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.553 -3.589 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.822 -3.959 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.544 -5.197 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.492 -5.595 5.138 1.00 0.00 H new ATOM 411 N GLY A 39 13.505 -7.084 1.126 1.00 0.00 N ATOM 412 CA GLY A 39 14.071 -8.362 0.736 1.00 0.00 C ATOM 413 C GLY A 39 13.047 -9.482 0.727 1.00 0.00 C ATOM 414 O GLY A 39 13.408 -10.659 0.728 1.00 0.00 O ATOM 0 H GLY A 39 13.328 -6.439 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.512 -8.271 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.879 -8.620 1.421 1.00 0.00 H new ATOM 418 N LEU A 40 11.767 -9.120 0.713 1.00 0.00 N ATOM 419 CA LEU A 40 10.696 -10.111 0.697 1.00 0.00 C ATOM 420 C LEU A 40 10.120 -10.256 -0.705 1.00 0.00 C ATOM 421 O LEU A 40 10.297 -9.383 -1.554 1.00 0.00 O ATOM 422 CB LEU A 40 9.577 -9.733 1.675 1.00 0.00 C ATOM 423 CG LEU A 40 9.428 -8.238 1.958 1.00 0.00 C ATOM 424 CD1 LEU A 40 9.150 -7.477 0.670 1.00 0.00 C ATOM 425 CD2 LEU A 40 8.321 -7.997 2.974 1.00 0.00 C ATOM 0 H LEU A 40 11.447 -8.151 0.712 1.00 0.00 H new ATOM 0 HA LEU A 40 11.125 -11.063 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.632 -10.106 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.754 -10.248 2.619 1.00 0.00 H new ATOM 0 HG LEU A 40 10.364 -7.870 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.047 -6.414 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.976 -7.625 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.228 -7.846 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.228 -6.928 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.378 -8.379 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.563 -8.511 3.904 1.00 0.00 H new ATOM 437 N ASN A 41 9.427 -11.362 -0.939 1.00 0.00 N ATOM 438 CA ASN A 41 8.821 -11.619 -2.236 1.00 0.00 C ATOM 439 C ASN A 41 7.436 -10.986 -2.317 1.00 0.00 C ATOM 440 O ASN A 41 6.764 -10.805 -1.302 1.00 0.00 O ATOM 441 CB ASN A 41 8.727 -13.126 -2.488 1.00 0.00 C ATOM 442 CG ASN A 41 9.318 -13.523 -3.826 1.00 0.00 C ATOM 443 OD1 ASN A 41 10.377 -14.146 -3.890 1.00 0.00 O ATOM 444 ND2 ASN A 41 8.632 -13.164 -4.904 1.00 0.00 N ATOM 0 H ASN A 41 9.271 -12.095 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 41 9.451 -11.171 -3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.247 -13.659 -1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.682 -13.434 -2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.979 -13.404 -5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.758 -12.648 -4.804 1.00 0.00 H new ATOM 451 N GLU A 42 7.012 -10.658 -3.533 1.00 0.00 N ATOM 452 CA GLU A 42 5.704 -10.052 -3.756 1.00 0.00 C ATOM 453 C GLU A 42 4.620 -10.853 -3.045 1.00 0.00 C ATOM 454 O GLU A 42 3.596 -10.310 -2.632 1.00 0.00 O ATOM 455 CB GLU A 42 5.402 -9.996 -5.250 1.00 0.00 C ATOM 456 CG GLU A 42 6.442 -9.231 -6.053 1.00 0.00 C ATOM 457 CD GLU A 42 7.294 -10.138 -6.919 1.00 0.00 C ATOM 458 OE1 GLU A 42 7.835 -11.131 -6.388 1.00 0.00 O ATOM 459 OE2 GLU A 42 7.420 -9.855 -8.129 1.00 0.00 O ATOM 0 H GLU A 42 7.558 -10.802 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 42 5.718 -9.039 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.333 -11.013 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.427 -9.531 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.940 -8.498 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.086 -8.676 -5.371 1.00 0.00 H new ATOM 466 N ALA A 43 4.861 -12.151 -2.901 1.00 0.00 N ATOM 467 CA ALA A 43 3.909 -13.028 -2.228 1.00 0.00 C ATOM 468 C ALA A 43 3.676 -12.533 -0.807 1.00 0.00 C ATOM 469 O ALA A 43 2.562 -12.589 -0.288 1.00 0.00 O ATOM 470 CB ALA A 43 4.419 -14.462 -2.217 1.00 0.00 C ATOM 0 H ALA A 43 5.703 -12.618 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 43 2.964 -13.010 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.696 -15.102 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.555 -14.808 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.372 -14.505 -1.690 1.00 0.00 H new ATOM 476 N GLN A 44 4.737 -12.010 -0.205 1.00 0.00 N ATOM 477 CA GLN A 44 4.665 -11.452 1.137 1.00 0.00 C ATOM 478 C GLN A 44 4.079 -10.049 1.064 1.00 0.00 C ATOM 479 O GLN A 44 3.455 -9.564 2.008 1.00 0.00 O ATOM 480 CB GLN A 44 6.058 -11.393 1.755 1.00 0.00 C ATOM 481 CG GLN A 44 6.640 -12.758 2.084 1.00 0.00 C ATOM 482 CD GLN A 44 6.064 -13.344 3.358 1.00 0.00 C ATOM 483 OE1 GLN A 44 5.589 -14.479 3.373 1.00 0.00 O ATOM 484 NE2 GLN A 44 6.103 -12.569 4.437 1.00 0.00 N ATOM 0 H GLN A 44 5.663 -11.961 -0.630 1.00 0.00 H new ATOM 0 HA GLN A 44 4.031 -12.085 1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.729 -10.878 1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.016 -10.797 2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.449 -13.440 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.722 -12.673 2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.506 -11.634 4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.730 -12.909 5.323 1.00 0.00 H new ATOM 493 N ILE A 45 4.294 -9.410 -0.081 1.00 0.00 N ATOM 494 CA ILE A 45 3.808 -8.061 -0.329 1.00 0.00 C ATOM 495 C ILE A 45 2.280 -8.033 -0.362 1.00 0.00 C ATOM 496 O ILE A 45 1.659 -7.105 0.155 1.00 0.00 O ATOM 497 CB ILE A 45 4.376 -7.517 -1.662 1.00 0.00 C ATOM 498 CG1 ILE A 45 5.891 -7.325 -1.545 1.00 0.00 C ATOM 499 CG2 ILE A 45 3.704 -6.211 -2.066 1.00 0.00 C ATOM 500 CD1 ILE A 45 6.292 -6.186 -0.632 1.00 0.00 C ATOM 0 H ILE A 45 4.810 -9.814 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 45 4.150 -7.423 0.486 1.00 0.00 H new ATOM 0 HB ILE A 45 4.166 -8.249 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.338 -8.248 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.303 -7.145 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.128 -5.859 -3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.634 -6.376 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.868 -5.462 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.379 -6.111 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.875 -5.252 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.911 -6.373 0.372 1.00 0.00 H new ATOM 512 N LYS A 46 1.674 -9.058 -0.957 1.00 0.00 N ATOM 513 CA LYS A 46 0.220 -9.140 -1.032 1.00 0.00 C ATOM 514 C LYS A 46 -0.374 -9.084 0.369 1.00 0.00 C ATOM 515 O LYS A 46 -1.262 -8.281 0.656 1.00 0.00 O ATOM 516 CB LYS A 46 -0.205 -10.432 -1.733 1.00 0.00 C ATOM 517 CG LYS A 46 -1.568 -10.344 -2.401 1.00 0.00 C ATOM 518 CD LYS A 46 -2.588 -11.237 -1.711 1.00 0.00 C ATOM 519 CE LYS A 46 -3.698 -11.658 -2.662 1.00 0.00 C ATOM 520 NZ LYS A 46 -3.717 -13.131 -2.876 1.00 0.00 N ATOM 0 H LYS A 46 2.166 -9.839 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.151 -8.294 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.542 -10.690 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.219 -11.243 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.917 -9.311 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.480 -10.633 -3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.090 -12.123 -1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.018 -10.709 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.660 -11.337 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.566 -11.154 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.487 -13.377 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.809 -13.435 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.868 -13.612 -1.966 1.00 0.00 H new ATOM 534 N ILE A 47 0.151 -9.934 1.241 1.00 0.00 N ATOM 535 CA ILE A 47 -0.287 -9.991 2.631 1.00 0.00 C ATOM 536 C ILE A 47 0.145 -8.729 3.366 1.00 0.00 C ATOM 537 O ILE A 47 -0.609 -8.148 4.146 1.00 0.00 O ATOM 538 CB ILE A 47 0.319 -11.223 3.343 1.00 0.00 C ATOM 539 CG1 ILE A 47 -0.656 -12.401 3.291 1.00 0.00 C ATOM 540 CG2 ILE A 47 0.699 -10.901 4.787 1.00 0.00 C ATOM 541 CD1 ILE A 47 -0.371 -13.371 2.166 1.00 0.00 C ATOM 0 H ILE A 47 0.888 -10.600 1.008 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.374 -10.070 2.642 1.00 0.00 H new ATOM 0 HB ILE A 47 1.232 -11.501 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.618 -12.936 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.671 -12.018 3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.122 -11.788 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.436 -10.098 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.189 -10.587 5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.101 -14.180 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.438 -12.850 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.631 -13.782 2.286 1.00 0.00 H new ATOM 553 N TRP A 48 1.378 -8.331 3.101 1.00 0.00 N ATOM 554 CA TRP A 48 1.976 -7.153 3.712 1.00 0.00 C ATOM 555 C TRP A 48 1.107 -5.934 3.467 1.00 0.00 C ATOM 556 O TRP A 48 0.768 -5.197 4.394 1.00 0.00 O ATOM 557 CB TRP A 48 3.368 -6.963 3.099 1.00 0.00 C ATOM 558 CG TRP A 48 4.149 -5.779 3.583 1.00 0.00 C ATOM 559 CD1 TRP A 48 5.259 -5.809 4.371 1.00 0.00 C ATOM 560 CD2 TRP A 48 3.918 -4.397 3.275 1.00 0.00 C ATOM 561 NE1 TRP A 48 5.729 -4.537 4.569 1.00 0.00 N ATOM 562 CE2 TRP A 48 4.924 -3.655 3.915 1.00 0.00 C ATOM 563 CE3 TRP A 48 2.963 -3.715 2.528 1.00 0.00 C ATOM 564 CZ2 TRP A 48 5.003 -2.270 3.828 1.00 0.00 C ATOM 565 CZ3 TRP A 48 3.040 -2.340 2.439 1.00 0.00 C ATOM 566 CH2 TRP A 48 4.053 -1.631 3.086 1.00 0.00 C ATOM 0 H TRP A 48 1.997 -8.818 2.453 1.00 0.00 H new ATOM 0 HA TRP A 48 2.059 -7.283 4.791 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.953 -7.862 3.293 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.258 -6.882 2.018 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.704 -6.704 4.780 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.552 -4.290 5.119 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.173 -4.253 2.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.787 -1.721 4.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.304 -1.804 1.859 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.086 -0.555 2.998 1.00 0.00 H new ATOM 577 N PHE A 49 0.741 -5.738 2.213 1.00 0.00 N ATOM 578 CA PHE A 49 -0.105 -4.615 1.839 1.00 0.00 C ATOM 579 C PHE A 49 -1.510 -4.792 2.371 1.00 0.00 C ATOM 580 O PHE A 49 -2.120 -3.851 2.879 1.00 0.00 O ATOM 581 CB PHE A 49 -0.090 -4.403 0.329 1.00 0.00 C ATOM 582 CG PHE A 49 1.044 -3.513 -0.065 1.00 0.00 C ATOM 583 CD1 PHE A 49 2.295 -4.043 -0.317 1.00 0.00 C ATOM 584 CD2 PHE A 49 0.873 -2.143 -0.118 1.00 0.00 C ATOM 585 CE1 PHE A 49 3.363 -3.223 -0.611 1.00 0.00 C ATOM 586 CE2 PHE A 49 1.936 -1.314 -0.428 1.00 0.00 C ATOM 587 CZ PHE A 49 3.185 -1.859 -0.668 1.00 0.00 C ATOM 0 H PHE A 49 1.015 -6.340 1.436 1.00 0.00 H new ATOM 0 HA PHE A 49 0.301 -3.713 2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.001 -5.364 -0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.034 -3.962 0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.438 -5.113 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.098 -1.716 0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.338 -3.650 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.792 -0.245 -0.483 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.020 -1.215 -0.900 1.00 0.00 H new ATOM 597 N GLN A 50 -2.019 -6.006 2.258 1.00 0.00 N ATOM 598 CA GLN A 50 -3.353 -6.305 2.734 1.00 0.00 C ATOM 599 C GLN A 50 -3.447 -6.082 4.241 1.00 0.00 C ATOM 600 O GLN A 50 -4.503 -5.717 4.757 1.00 0.00 O ATOM 601 CB GLN A 50 -3.731 -7.748 2.391 1.00 0.00 C ATOM 602 CG GLN A 50 -4.390 -7.907 1.028 1.00 0.00 C ATOM 603 CD GLN A 50 -3.711 -7.088 -0.054 1.00 0.00 C ATOM 604 OE1 GLN A 50 -3.643 -5.862 0.030 1.00 0.00 O ATOM 605 NE2 GLN A 50 -3.205 -7.765 -1.077 1.00 0.00 N ATOM 0 H GLN A 50 -1.528 -6.797 1.842 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.052 -5.632 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.833 -8.366 2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.407 -8.128 3.157 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.376 -8.959 0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.436 -7.610 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.284 -8.782 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.737 -7.269 -1.835 1.00 0.00 H new ATOM 614 N ASN A 51 -2.335 -6.300 4.943 1.00 0.00 N ATOM 615 CA ASN A 51 -2.303 -6.119 6.390 1.00 0.00 C ATOM 616 C ASN A 51 -2.232 -4.637 6.748 1.00 0.00 C ATOM 617 O ASN A 51 -2.829 -4.196 7.730 1.00 0.00 O ATOM 618 CB ASN A 51 -1.109 -6.863 6.994 1.00 0.00 C ATOM 619 CG ASN A 51 -1.535 -7.958 7.952 1.00 0.00 C ATOM 620 OD1 ASN A 51 -1.611 -7.746 9.162 1.00 0.00 O ATOM 621 ND2 ASN A 51 -1.817 -9.139 7.414 1.00 0.00 N ATOM 0 H ASN A 51 -1.450 -6.600 4.534 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.223 -6.532 6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.512 -7.297 6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.470 -6.153 7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.110 -9.914 8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.741 -9.271 6.405 1.00 0.00 H new ATOM 628 N LYS A 52 -1.498 -3.875 5.944 1.00 0.00 N ATOM 629 CA LYS A 52 -1.349 -2.443 6.174 1.00 0.00 C ATOM 630 C LYS A 52 -2.638 -1.699 5.838 1.00 0.00 C ATOM 631 O LYS A 52 -2.975 -0.701 6.475 1.00 0.00 O ATOM 632 CB LYS A 52 -0.193 -1.889 5.337 1.00 0.00 C ATOM 633 CG LYS A 52 0.691 -0.911 6.093 1.00 0.00 C ATOM 634 CD LYS A 52 1.583 -0.122 5.147 1.00 0.00 C ATOM 635 CE LYS A 52 2.425 0.897 5.897 1.00 0.00 C ATOM 636 NZ LYS A 52 3.512 0.250 6.682 1.00 0.00 N ATOM 0 H LYS A 52 -0.997 -4.225 5.127 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.130 -2.291 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.418 -2.719 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.599 -1.393 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.068 -0.224 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.308 -1.454 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.235 -0.806 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.968 0.388 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.860 1.601 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.787 1.473 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.094 0.982 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.096 -0.365 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.107 -0.320 6.047 1.00 0.00 H new ATOM 650 N ARG A 53 -3.355 -2.192 4.833 1.00 0.00 N ATOM 651 CA ARG A 53 -4.607 -1.574 4.411 1.00 0.00 C ATOM 652 C ARG A 53 -5.698 -1.772 5.459 1.00 0.00 C ATOM 653 O ARG A 53 -6.607 -0.953 5.585 1.00 0.00 O ATOM 654 CB ARG A 53 -5.061 -2.157 3.071 1.00 0.00 C ATOM 655 CG ARG A 53 -4.210 -1.709 1.893 1.00 0.00 C ATOM 656 CD ARG A 53 -4.157 -0.193 1.783 1.00 0.00 C ATOM 657 NE ARG A 53 -2.821 0.329 2.057 1.00 0.00 N ATOM 658 CZ ARG A 53 -2.435 1.570 1.765 1.00 0.00 C ATOM 659 NH1 ARG A 53 -3.280 2.417 1.191 1.00 0.00 N ATOM 660 NH2 ARG A 53 -1.201 1.964 2.048 1.00 0.00 N ATOM 0 H ARG A 53 -3.090 -3.018 4.296 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.431 -0.504 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.039 -3.245 3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.097 -1.869 2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.199 -2.102 2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.615 -2.127 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.466 0.109 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.868 0.246 2.482 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.144 -0.293 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.230 2.119 0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.979 3.366 0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.548 1.317 2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.905 2.914 1.824 1.00 0.00 H new ATOM 674 N ALA A 54 -5.601 -2.865 6.209 1.00 0.00 N ATOM 675 CA ALA A 54 -6.581 -3.170 7.246 1.00 0.00 C ATOM 676 C ALA A 54 -6.476 -2.194 8.416 1.00 0.00 C ATOM 677 O ALA A 54 -7.411 -2.057 9.205 1.00 0.00 O ATOM 678 CB ALA A 54 -6.403 -4.600 7.734 1.00 0.00 C ATOM 0 H ALA A 54 -4.854 -3.554 6.118 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.574 -3.064 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.140 -4.815 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.540 -5.289 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.401 -4.722 8.144 1.00 0.00 H new ATOM 684 N LYS A 55 -5.334 -1.520 8.527 1.00 0.00 N ATOM 685 CA LYS A 55 -5.114 -0.562 9.604 1.00 0.00 C ATOM 686 C LYS A 55 -5.676 0.809 9.240 1.00 0.00 C ATOM 687 O LYS A 55 -4.937 1.789 9.135 1.00 0.00 O ATOM 688 CB LYS A 55 -3.621 -0.451 9.917 1.00 0.00 C ATOM 689 CG LYS A 55 -3.317 0.417 11.128 1.00 0.00 C ATOM 690 CD LYS A 55 -3.588 -0.325 12.426 1.00 0.00 C ATOM 691 CE LYS A 55 -5.004 -0.080 12.923 1.00 0.00 C ATOM 692 NZ LYS A 55 -5.047 0.957 13.992 1.00 0.00 N ATOM 0 H LYS A 55 -4.548 -1.620 7.884 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.638 -0.922 10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.218 -1.450 10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.105 -0.042 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.274 0.732 11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.924 1.321 11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.434 -1.393 12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.874 -0.005 13.185 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.632 0.232 12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.421 -1.012 13.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.030 1.094 14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.468 0.648 14.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.673 1.854 13.621 1.00 0.00 H new ATOM 706 N ILE A 56 -6.990 0.872 9.050 1.00 0.00 N ATOM 707 CA ILE A 56 -7.654 2.122 8.699 1.00 0.00 C ATOM 708 C ILE A 56 -8.974 2.270 9.448 1.00 0.00 C ATOM 709 O ILE A 56 -10.031 1.890 8.945 1.00 0.00 O ATOM 710 CB ILE A 56 -7.921 2.212 7.184 1.00 0.00 C ATOM 711 CG1 ILE A 56 -6.644 1.901 6.401 1.00 0.00 C ATOM 712 CG2 ILE A 56 -8.450 3.591 6.819 1.00 0.00 C ATOM 713 CD1 ILE A 56 -6.853 1.850 4.903 1.00 0.00 C ATOM 0 H ILE A 56 -7.616 0.071 9.133 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.982 2.930 8.988 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.677 1.473 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.893 2.658 6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.245 0.944 6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.633 3.638 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.381 3.777 7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.715 4.347 7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.907 1.625 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.580 1.074 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.223 2.814 4.554 1.00 0.00 H new ATOM 725 N LYS A 57 -8.905 2.824 10.654 1.00 0.00 N ATOM 726 CA LYS A 57 -10.094 3.023 11.474 1.00 0.00 C ATOM 727 C LYS A 57 -10.038 4.364 12.198 1.00 0.00 C ATOM 728 O LYS A 57 -9.462 4.472 13.281 1.00 0.00 O ATOM 729 CB LYS A 57 -10.233 1.887 12.490 1.00 0.00 C ATOM 730 CG LYS A 57 -11.624 1.778 13.096 1.00 0.00 C ATOM 731 CD LYS A 57 -11.587 1.897 14.611 1.00 0.00 C ATOM 732 CE LYS A 57 -11.613 0.531 15.278 1.00 0.00 C ATOM 733 NZ LYS A 57 -10.528 -0.355 14.771 1.00 0.00 N ATOM 0 H LYS A 57 -8.038 3.143 11.085 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.963 3.022 10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.983 0.944 12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.508 2.036 13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.263 2.560 12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.069 0.823 12.817 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.687 2.433 14.913 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.439 2.486 14.952 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.509 0.651 16.356 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.580 0.059 15.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.471 -1.208 15.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.733 -0.628 13.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.621 0.152 14.807 1.00 0.00 H new ATOM 747 N LYS A 58 -10.638 5.385 11.592 1.00 0.00 N ATOM 748 CA LYS A 58 -10.654 6.719 12.181 1.00 0.00 C ATOM 749 C LYS A 58 -12.049 7.332 12.107 1.00 0.00 C ATOM 750 O LYS A 58 -12.614 7.737 13.123 1.00 0.00 O ATOM 751 CB LYS A 58 -9.647 7.625 11.469 1.00 0.00 C ATOM 752 CG LYS A 58 -8.901 8.560 12.407 1.00 0.00 C ATOM 753 CD LYS A 58 -8.005 9.521 11.641 1.00 0.00 C ATOM 754 CE LYS A 58 -6.653 9.686 12.318 1.00 0.00 C ATOM 755 NZ LYS A 58 -5.582 8.930 11.611 1.00 0.00 N ATOM 0 H LYS A 58 -11.118 5.314 10.695 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.373 6.629 13.230 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.925 7.005 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.171 8.218 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.617 9.126 13.004 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.299 7.975 13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.861 9.154 10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.494 10.492 11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.390 10.743 12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.719 9.342 13.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.676 9.068 12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.820 7.918 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.501 9.275 10.633 1.00 0.00 H new ATOM 769 N SER A 59 -12.599 7.398 10.899 1.00 0.00 N ATOM 770 CA SER A 59 -13.928 7.963 10.694 1.00 0.00 C ATOM 771 C SER A 59 -14.917 6.885 10.261 1.00 0.00 C ATOM 772 O SER A 59 -16.108 6.998 10.619 1.00 0.00 O ATOM 773 CB SER A 59 -13.876 9.074 9.644 1.00 0.00 C ATOM 774 OG SER A 59 -14.754 10.135 9.980 1.00 0.00 O ATOM 775 OXT SER A 59 -14.492 5.938 9.565 1.00 0.00 O ATOM 0 H SER A 59 -12.145 7.067 10.047 1.00 0.00 H new ATOM 0 HA SER A 59 -14.267 8.383 11.641 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.857 9.453 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.146 8.670 8.668 1.00 0.00 H new ATOM 0 HG SER A 59 -14.701 10.833 9.294 1.00 0.00 H new TER 781 SER A 59