USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 270 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 ASP N :NH3+ -163:sc= 0.102 (180deg=0.0505) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 10 TYR OH : rot 30:sc= 0.625 USER MOD Single : A 13 HIS : no HD1:sc= -0.565 X(o=-0.57,f=-0.17) USER MOD Single : A 14 HIS : no HD1:sc= -2.4! K(o=-2.4!,f=-0.92) USER MOD Single : A 15 GLN : amide:sc= -6.25! K(o=-6.3!,f=-3.3) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.655 (180deg=-1.38!) USER MOD Single : A 26 SER OG : rot 162:sc= 0.32 USER MOD Single : A 27 ASN : amide:sc= -6.57! C(o=-6.6!,f=-4.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -15.506 -11.823 -7.486 1.00 0.00 N ATOM 2 CA ASP A 1 -15.837 -11.187 -8.749 1.00 0.00 C ATOM 3 C ASP A 1 -16.927 -10.140 -8.516 1.00 0.00 C ATOM 4 O ASP A 1 -17.971 -10.441 -7.939 1.00 0.00 O ATOM 5 CB ASP A 1 -16.371 -12.208 -9.756 1.00 0.00 C ATOM 6 CG ASP A 1 -17.812 -12.663 -9.514 1.00 0.00 C ATOM 7 OD1 ASP A 1 -18.103 -13.030 -8.356 1.00 0.00 O ATOM 8 OD2 ASP A 1 -18.588 -12.633 -10.494 1.00 0.00 O ATOM 0 H1 ASP A 1 -14.593 -12.313 -7.573 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.442 -11.101 -6.740 1.00 0.00 H new ATOM 0 H3 ASP A 1 -16.246 -12.511 -7.240 1.00 0.00 H new ATOM 0 HA ASP A 1 -14.930 -10.730 -9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -16.305 -11.779 -10.756 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -15.722 -13.084 -9.741 1.00 0.00 H new ATOM 12 N ALA A 2 -16.647 -8.928 -8.977 1.00 0.00 N ATOM 13 CA ALA A 2 -17.590 -7.834 -8.825 1.00 0.00 C ATOM 14 C ALA A 2 -17.429 -7.216 -7.434 1.00 0.00 C ATOM 15 O ALA A 2 -17.744 -7.853 -6.430 1.00 0.00 O ATOM 16 CB ALA A 2 -19.010 -8.344 -9.076 1.00 0.00 C ATOM 0 H ALA A 2 -15.781 -8.681 -9.455 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.391 -7.052 -9.558 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.717 -7.522 -8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.079 -8.744 -10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.247 -9.129 -8.358 1.00 0.00 H new ATOM 22 N GLU A 3 -16.942 -5.985 -7.422 1.00 0.00 N ATOM 23 CA GLU A 3 -16.736 -5.276 -6.170 1.00 0.00 C ATOM 24 C GLU A 3 -16.441 -3.798 -6.441 1.00 0.00 C ATOM 25 O GLU A 3 -16.954 -2.922 -5.747 1.00 0.00 O ATOM 26 CB GLU A 3 -15.614 -5.918 -5.352 1.00 0.00 C ATOM 27 CG GLU A 3 -16.060 -6.169 -3.911 1.00 0.00 C ATOM 28 CD GLU A 3 -17.104 -7.286 -3.847 1.00 0.00 C ATOM 29 OE1 GLU A 3 -18.303 -6.949 -3.955 1.00 0.00 O ATOM 30 OE2 GLU A 3 -16.679 -8.451 -3.692 1.00 0.00 O ATOM 0 H GLU A 3 -16.684 -5.460 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.651 -5.343 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.316 -6.860 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.738 -5.269 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.197 -6.437 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.476 -5.253 -3.490 1.00 0.00 H new ATOM 35 N PHE A 4 -15.615 -3.568 -7.450 1.00 0.00 N ATOM 36 CA PHE A 4 -15.245 -2.213 -7.820 1.00 0.00 C ATOM 37 C PHE A 4 -16.483 -1.321 -7.946 1.00 0.00 C ATOM 38 O PHE A 4 -16.421 -0.125 -7.670 1.00 0.00 O ATOM 39 CB PHE A 4 -14.550 -2.294 -9.182 1.00 0.00 C ATOM 40 CG PHE A 4 -13.141 -2.886 -9.126 1.00 0.00 C ATOM 41 CD1 PHE A 4 -12.964 -4.231 -9.210 1.00 0.00 C ATOM 42 CD2 PHE A 4 -12.063 -2.066 -8.992 1.00 0.00 C ATOM 43 CE1 PHE A 4 -11.656 -4.780 -9.158 1.00 0.00 C ATOM 44 CE2 PHE A 4 -10.756 -2.616 -8.941 1.00 0.00 C ATOM 45 CZ PHE A 4 -10.579 -3.960 -9.025 1.00 0.00 C ATOM 0 H PHE A 4 -15.191 -4.297 -8.023 1.00 0.00 H new ATOM 0 HA PHE A 4 -14.596 -1.784 -7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -15.160 -2.897 -9.855 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -14.496 -1.294 -9.611 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -13.819 -4.882 -9.316 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -12.202 -0.997 -8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -11.516 -5.849 -9.224 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.901 -1.965 -8.835 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.584 -4.377 -8.986 1.00 0.00 H new ATOM 54 N ARG A 5 -17.578 -1.940 -8.361 1.00 0.00 N ATOM 55 CA ARG A 5 -18.828 -1.218 -8.525 1.00 0.00 C ATOM 56 C ARG A 5 -19.328 -0.707 -7.174 1.00 0.00 C ATOM 57 O ARG A 5 -19.808 0.421 -7.070 1.00 0.00 O ATOM 58 CB ARG A 5 -19.901 -2.109 -9.154 1.00 0.00 C ATOM 59 CG ARG A 5 -20.692 -2.857 -8.079 1.00 0.00 C ATOM 60 CD ARG A 5 -21.713 -3.806 -8.711 1.00 0.00 C ATOM 61 NE ARG A 5 -22.894 -3.936 -7.829 1.00 0.00 N ATOM 62 CZ ARG A 5 -22.889 -4.590 -6.657 1.00 0.00 C ATOM 63 NH1 ARG A 5 -21.766 -5.176 -6.222 1.00 0.00 N ATOM 64 NH2 ARG A 5 -24.009 -4.657 -5.923 1.00 0.00 N ATOM 0 H ARG A 5 -17.626 -2.933 -8.589 1.00 0.00 H new ATOM 0 HA ARG A 5 -18.638 -0.374 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -20.579 -1.500 -9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -19.434 -2.824 -9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -20.008 -3.422 -7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -21.204 -2.142 -7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -22.017 -3.429 -9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -21.261 -4.784 -8.874 1.00 0.00 H new ATOM 0 HE ARG A 5 -23.766 -3.502 -8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -20.915 -5.125 -6.781 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -21.762 -5.673 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -24.864 -4.211 -6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -24.006 -5.154 -5.032 1.00 0.00 H new ATOM 75 N HIS A 6 -19.201 -1.563 -6.170 1.00 0.00 N ATOM 76 CA HIS A 6 -19.634 -1.212 -4.826 1.00 0.00 C ATOM 77 C HIS A 6 -18.571 -0.340 -4.155 1.00 0.00 C ATOM 78 O HIS A 6 -18.897 0.635 -3.481 1.00 0.00 O ATOM 79 CB HIS A 6 -19.967 -2.468 -4.019 1.00 0.00 C ATOM 80 CG HIS A 6 -21.299 -2.404 -3.308 1.00 0.00 C ATOM 81 ND1 HIS A 6 -22.293 -3.349 -3.493 1.00 0.00 N ATOM 82 CD2 HIS A 6 -21.789 -1.500 -2.412 1.00 0.00 C ATOM 83 CE1 HIS A 6 -23.330 -3.019 -2.736 1.00 0.00 C ATOM 84 NE2 HIS A 6 -23.015 -1.872 -2.068 1.00 0.00 N ATOM 0 H HIS A 6 -18.805 -2.499 -6.260 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.553 -0.628 -4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -19.964 -3.329 -4.688 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -19.181 -2.634 -3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -21.267 -0.629 -2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -24.260 -3.562 -2.661 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.622 -1.381 -1.412 1.00 0.00 H new ATOM 92 N ASP A 7 -17.318 -0.724 -4.364 1.00 0.00 N ATOM 93 CA ASP A 7 -16.207 0.012 -3.788 1.00 0.00 C ATOM 94 C ASP A 7 -15.858 1.194 -4.694 1.00 0.00 C ATOM 95 O ASP A 7 -14.862 1.881 -4.468 1.00 0.00 O ATOM 96 CB ASP A 7 -14.964 -0.875 -3.670 1.00 0.00 C ATOM 97 CG ASP A 7 -15.150 -2.139 -2.829 1.00 0.00 C ATOM 98 OD1 ASP A 7 -16.198 -2.796 -3.016 1.00 0.00 O ATOM 99 OD2 ASP A 7 -14.241 -2.421 -2.019 1.00 0.00 O ATOM 0 H ASP A 7 -17.050 -1.534 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.505 0.353 -2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.647 -1.166 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.155 -0.285 -3.239 1.00 0.00 H new ATOM 103 N SER A 8 -16.696 1.395 -5.699 1.00 0.00 N ATOM 104 CA SER A 8 -16.489 2.484 -6.639 1.00 0.00 C ATOM 105 C SER A 8 -16.128 3.765 -5.886 1.00 0.00 C ATOM 106 O SER A 8 -14.979 3.956 -5.493 1.00 0.00 O ATOM 107 CB SER A 8 -17.732 2.709 -7.504 1.00 0.00 C ATOM 108 OG SER A 8 -17.606 3.861 -8.330 1.00 0.00 O ATOM 0 H SER A 8 -17.520 0.823 -5.884 1.00 0.00 H new ATOM 0 HA SER A 8 -15.664 2.214 -7.298 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.902 1.832 -8.129 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.606 2.817 -6.862 1.00 0.00 H new ATOM 0 HG SER A 8 -18.418 3.969 -8.867 1.00 0.00 H new ATOM 113 N GLY A 9 -17.132 4.612 -5.707 1.00 0.00 N ATOM 114 CA GLY A 9 -16.936 5.870 -5.008 1.00 0.00 C ATOM 115 C GLY A 9 -15.520 5.962 -4.434 1.00 0.00 C ATOM 116 O GLY A 9 -14.561 6.189 -5.172 1.00 0.00 O ATOM 0 H GLY A 9 -18.084 4.451 -6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -17.110 6.701 -5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -17.665 5.961 -4.203 1.00 0.00 H new ATOM 120 N TYR A 10 -15.433 5.782 -3.125 1.00 0.00 N ATOM 121 CA TYR A 10 -14.150 5.842 -2.445 1.00 0.00 C ATOM 122 C TYR A 10 -13.019 5.374 -3.363 1.00 0.00 C ATOM 123 O TYR A 10 -12.200 6.179 -3.804 1.00 0.00 O ATOM 124 CB TYR A 10 -14.257 4.883 -1.257 1.00 0.00 C ATOM 125 CG TYR A 10 -15.501 3.993 -1.287 1.00 0.00 C ATOM 126 CD1 TYR A 10 -15.888 3.387 -2.465 1.00 0.00 C ATOM 127 CD2 TYR A 10 -16.233 3.795 -0.135 1.00 0.00 C ATOM 128 CE1 TYR A 10 -17.059 2.550 -2.492 1.00 0.00 C ATOM 129 CE2 TYR A 10 -17.405 2.956 -0.163 1.00 0.00 C ATOM 130 CZ TYR A 10 -17.759 2.375 -1.340 1.00 0.00 C ATOM 131 OH TYR A 10 -18.864 1.583 -1.366 1.00 0.00 O ATOM 0 H TYR A 10 -16.230 5.594 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.926 6.864 -2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.370 4.250 -1.233 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.260 5.463 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -15.313 3.541 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.929 4.268 0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -17.374 2.072 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.989 2.793 0.731 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.754 0.890 -2.050 1.00 0.00 H new ATOM 140 N GLU A 11 -13.012 4.075 -3.625 1.00 0.00 N ATOM 141 CA GLU A 11 -11.996 3.491 -4.483 1.00 0.00 C ATOM 142 C GLU A 11 -11.481 4.530 -5.480 1.00 0.00 C ATOM 143 O GLU A 11 -10.472 5.189 -5.231 1.00 0.00 O ATOM 144 CB GLU A 11 -12.534 2.255 -5.207 1.00 0.00 C ATOM 145 CG GLU A 11 -11.577 1.807 -6.314 1.00 0.00 C ATOM 146 CD GLU A 11 -10.128 2.145 -5.956 1.00 0.00 C ATOM 147 OE1 GLU A 11 -9.741 1.836 -4.807 1.00 0.00 O ATOM 148 OE2 GLU A 11 -9.441 2.703 -6.837 1.00 0.00 O ATOM 0 H GLU A 11 -13.694 3.411 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.162 3.171 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.675 1.444 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.512 2.477 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.675 0.733 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.847 2.293 -7.252 1.00 0.00 H new ATOM 153 N VAL A 12 -12.197 4.645 -6.589 1.00 0.00 N ATOM 154 CA VAL A 12 -11.826 5.594 -7.626 1.00 0.00 C ATOM 155 C VAL A 12 -11.325 6.884 -6.974 1.00 0.00 C ATOM 156 O VAL A 12 -10.309 7.439 -7.389 1.00 0.00 O ATOM 157 CB VAL A 12 -13.005 5.821 -8.573 1.00 0.00 C ATOM 158 CG1 VAL A 12 -14.281 6.146 -7.794 1.00 0.00 C ATOM 159 CG2 VAL A 12 -12.687 6.921 -9.589 1.00 0.00 C ATOM 0 H VAL A 12 -13.033 4.097 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.011 5.199 -8.233 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.176 4.895 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.103 6.303 -8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.522 5.317 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.127 7.050 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.541 7.063 -10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.477 7.852 -9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.816 6.632 -10.178 1.00 0.00 H new ATOM 169 N HIS A 13 -12.059 7.323 -5.963 1.00 0.00 N ATOM 170 CA HIS A 13 -11.702 8.537 -5.251 1.00 0.00 C ATOM 171 C HIS A 13 -10.306 8.385 -4.643 1.00 0.00 C ATOM 172 O HIS A 13 -9.352 9.004 -5.109 1.00 0.00 O ATOM 173 CB HIS A 13 -12.766 8.890 -4.209 1.00 0.00 C ATOM 174 CG HIS A 13 -13.611 10.089 -4.574 1.00 0.00 C ATOM 175 ND1 HIS A 13 -14.941 10.206 -4.213 1.00 0.00 N ATOM 176 CD2 HIS A 13 -13.299 11.218 -5.269 1.00 0.00 C ATOM 177 CE1 HIS A 13 -15.400 11.359 -4.676 1.00 0.00 C ATOM 178 NE2 HIS A 13 -14.381 11.985 -5.331 1.00 0.00 N ATOM 0 H HIS A 13 -12.900 6.859 -5.620 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.668 9.374 -5.949 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.419 8.029 -4.065 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.276 9.081 -3.255 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -12.335 11.450 -5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.405 11.737 -4.556 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -14.440 12.893 -5.792 1.00 0.00 H new ATOM 186 N HIS A 14 -10.232 7.556 -3.612 1.00 0.00 N ATOM 187 CA HIS A 14 -8.970 7.313 -2.937 1.00 0.00 C ATOM 188 C HIS A 14 -7.815 7.499 -3.924 1.00 0.00 C ATOM 189 O HIS A 14 -6.896 8.277 -3.670 1.00 0.00 O ATOM 190 CB HIS A 14 -8.964 5.934 -2.273 1.00 0.00 C ATOM 191 CG HIS A 14 -7.976 5.803 -1.139 1.00 0.00 C ATOM 192 ND1 HIS A 14 -8.047 4.792 -0.196 1.00 0.00 N ATOM 193 CD2 HIS A 14 -6.894 6.562 -0.807 1.00 0.00 C ATOM 194 CE1 HIS A 14 -7.048 4.947 0.660 1.00 0.00 C ATOM 195 NE2 HIS A 14 -6.333 6.046 0.280 1.00 0.00 N ATOM 0 H HIS A 14 -11.026 7.044 -3.228 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.838 8.039 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.964 5.719 -1.897 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.738 5.180 -3.027 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.550 7.437 -1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.836 4.315 1.510 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.506 6.410 0.752 1.00 0.00 H new ATOM 203 N GLN A 15 -7.900 6.773 -5.028 1.00 0.00 N ATOM 204 CA GLN A 15 -6.874 6.850 -6.054 1.00 0.00 C ATOM 205 C GLN A 15 -6.484 8.307 -6.308 1.00 0.00 C ATOM 206 O GLN A 15 -5.429 8.580 -6.878 1.00 0.00 O ATOM 207 CB GLN A 15 -7.339 6.173 -7.346 1.00 0.00 C ATOM 208 CG GLN A 15 -7.831 7.207 -8.360 1.00 0.00 C ATOM 209 CD GLN A 15 -6.778 7.460 -9.440 1.00 0.00 C ATOM 210 OE1 GLN A 15 -6.442 8.588 -9.765 1.00 0.00 O ATOM 211 NE2 GLN A 15 -6.278 6.351 -9.978 1.00 0.00 N ATOM 0 H GLN A 15 -8.663 6.129 -5.235 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.993 6.316 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.518 5.599 -7.776 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.139 5.467 -7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.754 6.858 -8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.064 8.141 -7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.603 5.438 -9.660 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.569 6.413 -10.709 1.00 0.00 H new ATOM 218 N LYS A 16 -7.355 9.203 -5.872 1.00 0.00 N ATOM 219 CA LYS A 16 -7.115 10.627 -6.045 1.00 0.00 C ATOM 220 C LYS A 16 -5.619 10.865 -6.253 1.00 0.00 C ATOM 221 O LYS A 16 -5.222 11.555 -7.190 1.00 0.00 O ATOM 222 CB LYS A 16 -7.708 11.415 -4.876 1.00 0.00 C ATOM 223 CG LYS A 16 -8.352 12.715 -5.362 1.00 0.00 C ATOM 224 CD LYS A 16 -9.618 12.431 -6.173 1.00 0.00 C ATOM 225 CE LYS A 16 -10.007 13.640 -7.025 1.00 0.00 C ATOM 226 NZ LYS A 16 -9.260 14.842 -6.590 1.00 0.00 N ATOM 0 H LYS A 16 -8.229 8.972 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.623 10.995 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.452 10.806 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.926 11.641 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.597 13.345 -4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.641 13.270 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.456 11.566 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.437 12.178 -5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.798 13.435 -8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.079 13.821 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.685 15.689 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.301 14.920 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.268 14.762 -6.892 1.00 0.00 H new ATOM 236 N LEU A 17 -4.830 10.282 -5.362 1.00 0.00 N ATOM 237 CA LEU A 17 -3.386 10.423 -5.437 1.00 0.00 C ATOM 238 C LEU A 17 -2.737 9.041 -5.328 1.00 0.00 C ATOM 239 O LEU A 17 -1.734 8.769 -5.986 1.00 0.00 O ATOM 240 CB LEU A 17 -2.891 11.419 -4.386 1.00 0.00 C ATOM 241 CG LEU A 17 -2.247 12.698 -4.925 1.00 0.00 C ATOM 242 CD1 LEU A 17 -2.473 13.871 -3.970 1.00 0.00 C ATOM 243 CD2 LEU A 17 -0.762 12.480 -5.225 1.00 0.00 C ATOM 0 H LEU A 17 -5.163 9.711 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.093 10.839 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.734 11.699 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.167 10.913 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.732 12.953 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.005 14.767 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.543 14.042 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.032 13.641 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.328 13.404 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.245 12.187 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.653 11.693 -5.971 1.00 0.00 H new ATOM 254 N VAL A 18 -3.336 8.205 -4.493 1.00 0.00 N ATOM 255 CA VAL A 18 -2.830 6.858 -4.291 1.00 0.00 C ATOM 256 C VAL A 18 -2.225 6.343 -5.598 1.00 0.00 C ATOM 257 O VAL A 18 -1.023 6.091 -5.674 1.00 0.00 O ATOM 258 CB VAL A 18 -3.942 5.956 -3.751 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.453 5.146 -2.548 1.00 0.00 C ATOM 260 CG2 VAL A 18 -5.184 6.773 -3.392 1.00 0.00 C ATOM 0 H VAL A 18 -4.167 8.434 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.037 6.857 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.218 5.255 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.262 4.513 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.611 4.522 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.138 5.825 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.959 6.108 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.928 7.508 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.551 7.286 -4.281 1.00 0.00 H new ATOM 270 N PHE A 19 -3.086 6.202 -6.596 1.00 0.00 N ATOM 271 CA PHE A 19 -2.651 5.722 -7.898 1.00 0.00 C ATOM 272 C PHE A 19 -1.343 6.395 -8.321 1.00 0.00 C ATOM 273 O PHE A 19 -0.593 5.847 -9.128 1.00 0.00 O ATOM 274 CB PHE A 19 -3.748 6.089 -8.898 1.00 0.00 C ATOM 275 CG PHE A 19 -3.656 7.522 -9.425 1.00 0.00 C ATOM 276 CD1 PHE A 19 -3.465 8.555 -8.561 1.00 0.00 C ATOM 277 CD2 PHE A 19 -3.762 7.765 -10.759 1.00 0.00 C ATOM 278 CE1 PHE A 19 -3.379 9.885 -9.048 1.00 0.00 C ATOM 279 CE2 PHE A 19 -3.677 9.095 -11.249 1.00 0.00 C ATOM 280 CZ PHE A 19 -3.487 10.127 -10.383 1.00 0.00 C ATOM 0 H PHE A 19 -4.082 6.412 -6.530 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.478 4.646 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.702 5.399 -9.741 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.719 5.949 -8.424 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.379 8.362 -7.502 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.911 6.945 -11.446 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.228 10.704 -8.360 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.763 9.287 -12.308 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.422 11.139 -10.755 1.00 0.00 H new ATOM 289 N PHE A 20 -1.111 7.572 -7.758 1.00 0.00 N ATOM 290 CA PHE A 20 0.093 8.325 -8.068 1.00 0.00 C ATOM 291 C PHE A 20 1.249 7.911 -7.156 1.00 0.00 C ATOM 292 O PHE A 20 2.221 7.314 -7.613 1.00 0.00 O ATOM 293 CB PHE A 20 -0.229 9.801 -7.826 1.00 0.00 C ATOM 294 CG PHE A 20 0.348 10.745 -8.884 1.00 0.00 C ATOM 295 CD1 PHE A 20 1.693 10.931 -8.968 1.00 0.00 C ATOM 296 CD2 PHE A 20 -0.483 11.398 -9.740 1.00 0.00 C ATOM 297 CE1 PHE A 20 2.228 11.807 -9.949 1.00 0.00 C ATOM 298 CE2 PHE A 20 0.053 12.273 -10.721 1.00 0.00 C ATOM 299 CZ PHE A 20 1.397 12.459 -10.805 1.00 0.00 C ATOM 0 H PHE A 20 -1.736 8.023 -7.089 1.00 0.00 H new ATOM 0 HA PHE A 20 0.394 8.138 -9.099 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.311 9.926 -7.794 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.154 10.090 -6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.354 10.413 -8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.551 11.251 -9.673 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.296 11.955 -10.015 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.607 12.791 -11.401 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.805 13.125 -11.552 1.00 0.00 H new ATOM 308 N ALA A 21 1.103 8.245 -5.883 1.00 0.00 N ATOM 309 CA ALA A 21 2.124 7.915 -4.902 1.00 0.00 C ATOM 310 C ALA A 21 2.211 6.395 -4.754 1.00 0.00 C ATOM 311 O ALA A 21 3.298 5.824 -4.819 1.00 0.00 O ATOM 312 CB ALA A 21 1.803 8.612 -3.577 1.00 0.00 C ATOM 0 H ALA A 21 0.294 8.740 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 21 3.101 8.271 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.568 8.365 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.781 9.691 -3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.831 8.277 -3.216 1.00 0.00 H new ATOM 318 N GLU A 22 1.051 5.784 -4.559 1.00 0.00 N ATOM 319 CA GLU A 22 0.982 4.341 -4.403 1.00 0.00 C ATOM 320 C GLU A 22 1.898 3.653 -5.419 1.00 0.00 C ATOM 321 O GLU A 22 2.493 2.618 -5.122 1.00 0.00 O ATOM 322 CB GLU A 22 -0.456 3.842 -4.534 1.00 0.00 C ATOM 323 CG GLU A 22 -0.641 2.500 -3.823 1.00 0.00 C ATOM 324 CD GLU A 22 -0.108 2.562 -2.390 1.00 0.00 C ATOM 325 OE1 GLU A 22 -0.703 3.322 -1.596 1.00 0.00 O ATOM 326 OE2 GLU A 22 0.881 1.848 -2.121 1.00 0.00 O ATOM 0 H GLU A 22 0.152 6.262 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 22 1.328 4.087 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.139 4.578 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.713 3.737 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.698 2.233 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.121 1.717 -4.375 1.00 0.00 H new ATOM 331 N ASP A 23 1.980 4.256 -6.596 1.00 0.00 N ATOM 332 CA ASP A 23 2.811 3.714 -7.657 1.00 0.00 C ATOM 333 C ASP A 23 4.284 3.934 -7.309 1.00 0.00 C ATOM 334 O ASP A 23 5.085 3.003 -7.365 1.00 0.00 O ATOM 335 CB ASP A 23 2.530 4.413 -8.989 1.00 0.00 C ATOM 336 CG ASP A 23 2.116 3.485 -10.133 1.00 0.00 C ATOM 337 OD1 ASP A 23 1.051 2.846 -9.990 1.00 0.00 O ATOM 338 OD2 ASP A 23 2.877 3.433 -11.125 1.00 0.00 O ATOM 0 H ASP A 23 1.485 5.114 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 23 2.585 2.652 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.742 5.150 -8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.423 4.960 -9.290 1.00 0.00 H new ATOM 342 N VAL A 24 4.596 5.173 -6.957 1.00 0.00 N ATOM 343 CA VAL A 24 5.959 5.528 -6.599 1.00 0.00 C ATOM 344 C VAL A 24 6.247 5.057 -5.172 1.00 0.00 C ATOM 345 O VAL A 24 5.384 5.145 -4.300 1.00 0.00 O ATOM 346 CB VAL A 24 6.175 7.031 -6.788 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.329 7.381 -8.268 1.00 0.00 C ATOM 348 CG2 VAL A 24 5.038 7.832 -6.151 1.00 0.00 C ATOM 0 H VAL A 24 3.929 5.943 -6.912 1.00 0.00 H new ATOM 0 HA VAL A 24 6.669 5.026 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 24 7.101 7.302 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.481 8.455 -8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.187 6.850 -8.680 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.428 7.087 -8.807 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.216 8.897 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.092 7.554 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.995 7.617 -5.083 1.00 0.00 H new ATOM 358 N GLY A 25 7.461 4.565 -4.979 1.00 0.00 N ATOM 359 CA GLY A 25 7.874 4.080 -3.673 1.00 0.00 C ATOM 360 C GLY A 25 7.394 2.646 -3.444 1.00 0.00 C ATOM 361 O GLY A 25 8.147 1.805 -2.954 1.00 0.00 O ATOM 0 H GLY A 25 8.173 4.492 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.960 4.121 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.472 4.730 -2.896 1.00 0.00 H new ATOM 365 N SER A 26 6.141 2.409 -3.810 1.00 0.00 N ATOM 366 CA SER A 26 5.552 1.091 -3.651 1.00 0.00 C ATOM 367 C SER A 26 5.877 0.223 -4.868 1.00 0.00 C ATOM 368 O SER A 26 6.771 -0.619 -4.812 1.00 0.00 O ATOM 369 CB SER A 26 4.037 1.186 -3.454 1.00 0.00 C ATOM 370 OG SER A 26 3.613 0.538 -2.259 1.00 0.00 O ATOM 0 H SER A 26 5.519 3.108 -4.216 1.00 0.00 H new ATOM 0 HA SER A 26 5.978 0.630 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.740 2.234 -3.423 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.531 0.737 -4.309 1.00 0.00 H new ATOM 0 HG SER A 26 2.716 0.850 -2.018 1.00 0.00 H new ATOM 375 N ASN A 27 5.133 0.459 -5.938 1.00 0.00 N ATOM 376 CA ASN A 27 5.331 -0.293 -7.167 1.00 0.00 C ATOM 377 C ASN A 27 4.103 -0.126 -8.064 1.00 0.00 C ATOM 378 O ASN A 27 4.068 0.760 -8.917 1.00 0.00 O ATOM 379 CB ASN A 27 5.507 -1.785 -6.877 1.00 0.00 C ATOM 380 CG ASN A 27 6.870 -2.280 -7.363 1.00 0.00 C ATOM 381 OD1 ASN A 27 7.534 -3.077 -6.722 1.00 0.00 O ATOM 382 ND2 ASN A 27 7.249 -1.766 -8.530 1.00 0.00 N ATOM 0 H ASN A 27 4.393 1.159 -5.980 1.00 0.00 H new ATOM 0 HA ASN A 27 6.228 0.087 -7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.411 -1.965 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.715 -2.351 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.144 -2.035 -8.939 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.645 -1.103 -9.015 1.00 0.00 H new ATOM 388 N LYS A 28 3.124 -0.992 -7.841 1.00 0.00 N ATOM 389 CA LYS A 28 1.898 -0.951 -8.619 1.00 0.00 C ATOM 390 C LYS A 28 2.192 -1.406 -10.050 1.00 0.00 C ATOM 391 O LYS A 28 1.486 -2.255 -10.593 1.00 0.00 O ATOM 392 CB LYS A 28 1.254 0.434 -8.535 1.00 0.00 C ATOM 393 CG LYS A 28 0.817 0.748 -7.102 1.00 0.00 C ATOM 394 CD LYS A 28 -0.642 0.347 -6.874 1.00 0.00 C ATOM 395 CE LYS A 28 -1.595 1.351 -7.527 1.00 0.00 C ATOM 396 NZ LYS A 28 -2.874 0.695 -7.881 1.00 0.00 N ATOM 0 H LYS A 28 3.156 -1.725 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 28 1.164 -1.643 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.961 1.189 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.392 0.479 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.458 0.218 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.940 1.813 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.818 -0.647 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.845 0.290 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.781 2.181 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.134 1.770 -8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.510 1.389 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.693 -0.082 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.320 0.316 -7.021 1.00 0.00 H new ATOM 406 N GLY A 29 3.234 -0.820 -10.620 1.00 0.00 N ATOM 407 CA GLY A 29 3.629 -1.155 -11.978 1.00 0.00 C ATOM 408 C GLY A 29 4.252 -2.551 -12.039 1.00 0.00 C ATOM 409 O GLY A 29 3.925 -3.342 -12.923 1.00 0.00 O ATOM 0 H GLY A 29 3.817 -0.116 -10.167 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.760 -1.112 -12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.343 -0.418 -12.345 1.00 0.00 H new ATOM 413 N ALA A 30 5.139 -2.811 -11.090 1.00 0.00 N ATOM 414 CA ALA A 30 5.810 -4.098 -11.025 1.00 0.00 C ATOM 415 C ALA A 30 4.848 -5.142 -10.455 1.00 0.00 C ATOM 416 O ALA A 30 5.248 -6.269 -10.168 1.00 0.00 O ATOM 417 CB ALA A 30 7.087 -3.966 -10.193 1.00 0.00 C ATOM 0 H ALA A 30 5.409 -2.152 -10.360 1.00 0.00 H new ATOM 0 HA ALA A 30 6.103 -4.429 -12.021 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.591 -4.931 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.749 -3.234 -10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.832 -3.638 -9.185 1.00 0.00 H new ATOM 423 N ILE A 31 3.598 -4.730 -10.308 1.00 0.00 N ATOM 424 CA ILE A 31 2.575 -5.616 -9.778 1.00 0.00 C ATOM 425 C ILE A 31 2.785 -7.024 -10.337 1.00 0.00 C ATOM 426 O ILE A 31 2.567 -8.012 -9.639 1.00 0.00 O ATOM 427 CB ILE A 31 1.180 -5.049 -10.052 1.00 0.00 C ATOM 428 CG1 ILE A 31 0.675 -4.235 -8.858 1.00 0.00 C ATOM 429 CG2 ILE A 31 0.203 -6.160 -10.442 1.00 0.00 C ATOM 430 CD1 ILE A 31 -0.550 -3.403 -9.240 1.00 0.00 C ATOM 0 H ILE A 31 3.270 -3.794 -10.547 1.00 0.00 H new ATOM 0 HA ILE A 31 2.659 -5.687 -8.694 1.00 0.00 H new ATOM 0 HB ILE A 31 1.249 -4.368 -10.901 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.422 -4.906 -8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.468 -3.578 -8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.780 -5.730 -10.631 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.560 -6.659 -11.343 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.132 -6.884 -9.630 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.888 -2.835 -8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.287 -2.716 -10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.349 -4.064 -9.575 1.00 0.00 H new ATOM 441 N ILE A 32 3.209 -7.072 -11.593 1.00 0.00 N ATOM 442 CA ILE A 32 3.453 -8.342 -12.253 1.00 0.00 C ATOM 443 C ILE A 32 2.181 -9.191 -12.199 1.00 0.00 C ATOM 444 O ILE A 32 1.385 -9.183 -13.138 1.00 0.00 O ATOM 445 CB ILE A 32 4.679 -9.032 -11.652 1.00 0.00 C ATOM 446 CG1 ILE A 32 5.972 -8.385 -12.150 1.00 0.00 C ATOM 447 CG2 ILE A 32 4.649 -10.537 -11.924 1.00 0.00 C ATOM 448 CD1 ILE A 32 7.123 -8.637 -11.174 1.00 0.00 C ATOM 0 H ILE A 32 3.389 -6.250 -12.170 1.00 0.00 H new ATOM 0 HA ILE A 32 3.689 -8.186 -13.306 1.00 0.00 H new ATOM 0 HB ILE A 32 4.649 -8.900 -10.570 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.228 -8.785 -13.131 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.822 -7.312 -12.272 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.532 -11.004 -11.486 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.752 -10.969 -11.480 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.642 -10.712 -13.000 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.030 -8.166 -11.552 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.874 -8.215 -10.201 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.286 -9.710 -11.073 1.00 0.00 H new ATOM 459 N GLY A 33 2.029 -9.904 -11.092 1.00 0.00 N ATOM 460 CA GLY A 33 0.869 -10.757 -10.905 1.00 0.00 C ATOM 461 C GLY A 33 0.374 -11.312 -12.243 1.00 0.00 C ATOM 462 O GLY A 33 0.859 -12.342 -12.708 1.00 0.00 O ATOM 0 H GLY A 33 2.691 -9.908 -10.316 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.123 -11.580 -10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.071 -10.191 -10.424 1.00 0.00 H new ATOM 466 N LEU A 34 -0.585 -10.605 -12.823 1.00 0.00 N ATOM 467 CA LEU A 34 -1.150 -11.014 -14.096 1.00 0.00 C ATOM 468 C LEU A 34 -0.042 -11.594 -14.979 1.00 0.00 C ATOM 469 O LEU A 34 -0.286 -12.503 -15.771 1.00 0.00 O ATOM 470 CB LEU A 34 -1.908 -9.853 -14.745 1.00 0.00 C ATOM 471 CG LEU A 34 -3.424 -10.023 -14.860 1.00 0.00 C ATOM 472 CD1 LEU A 34 -3.780 -11.031 -15.954 1.00 0.00 C ATOM 473 CD2 LEU A 34 -4.037 -10.399 -13.511 1.00 0.00 C ATOM 0 H LEU A 34 -0.985 -9.751 -12.434 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.887 -11.803 -13.948 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.706 -8.948 -14.172 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.503 -9.694 -15.745 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.855 -9.065 -15.152 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.863 -11.134 -16.015 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.394 -10.681 -16.911 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.337 -11.998 -15.716 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.115 -10.514 -13.621 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.606 -11.338 -13.164 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.828 -9.614 -12.785 1.00 0.00 H new ATOM 484 N MET A 35 1.152 -11.047 -14.811 1.00 0.00 N ATOM 485 CA MET A 35 2.298 -11.498 -15.582 1.00 0.00 C ATOM 486 C MET A 35 2.848 -12.814 -15.027 1.00 0.00 C ATOM 487 O MET A 35 3.076 -13.760 -15.778 1.00 0.00 O ATOM 488 CB MET A 35 3.392 -10.430 -15.542 1.00 0.00 C ATOM 489 CG MET A 35 3.681 -9.888 -16.944 1.00 0.00 C ATOM 490 SD MET A 35 4.009 -8.135 -16.865 1.00 0.00 S ATOM 491 CE MET A 35 4.530 -7.841 -18.548 1.00 0.00 C ATOM 0 H MET A 35 1.351 -10.295 -14.152 1.00 0.00 H new ATOM 0 HA MET A 35 1.978 -11.665 -16.611 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.084 -9.613 -14.889 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.302 -10.853 -15.117 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.537 -10.408 -17.374 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.831 -10.078 -17.599 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.775 -6.786 -18.674 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.409 -8.447 -18.768 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.724 -8.110 -19.231 1.00 0.00 H new ATOM 499 N VAL A 36 3.044 -12.829 -13.716 1.00 0.00 N ATOM 500 CA VAL A 36 3.563 -14.013 -13.051 1.00 0.00 C ATOM 501 C VAL A 36 4.990 -14.279 -13.533 1.00 0.00 C ATOM 502 O VAL A 36 5.746 -14.996 -12.880 1.00 0.00 O ATOM 503 CB VAL A 36 2.622 -15.198 -13.284 1.00 0.00 C ATOM 504 CG1 VAL A 36 3.413 -16.480 -13.550 1.00 0.00 C ATOM 505 CG2 VAL A 36 1.665 -15.378 -12.104 1.00 0.00 C ATOM 0 H VAL A 36 2.853 -12.041 -13.097 1.00 0.00 H new ATOM 0 HA VAL A 36 3.608 -13.857 -11.973 1.00 0.00 H new ATOM 0 HB VAL A 36 2.024 -14.983 -14.170 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.722 -17.307 -13.712 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.034 -16.347 -14.436 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.048 -16.701 -12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.008 -16.226 -12.295 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.238 -15.561 -11.195 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.066 -14.476 -11.980 1.00 0.00 H new ATOM 515 N GLY A 37 5.315 -13.687 -14.673 1.00 0.00 N ATOM 516 CA GLY A 37 6.639 -13.850 -15.249 1.00 0.00 C ATOM 517 C GLY A 37 6.660 -13.397 -16.711 1.00 0.00 C ATOM 518 O GLY A 37 7.552 -12.655 -17.122 1.00 0.00 O ATOM 0 H GLY A 37 4.685 -13.094 -15.213 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.363 -13.272 -14.675 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.942 -14.895 -15.184 1.00 0.00 H new ATOM 522 N GLY A 38 5.669 -13.861 -17.456 1.00 0.00 N ATOM 523 CA GLY A 38 5.561 -13.512 -18.862 1.00 0.00 C ATOM 524 C GLY A 38 4.098 -13.445 -19.302 1.00 0.00 C ATOM 525 O GLY A 38 3.806 -13.358 -20.493 1.00 0.00 O ATOM 0 H GLY A 38 4.932 -14.477 -17.112 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.042 -12.550 -19.039 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.092 -14.249 -19.465 1.00 0.00 H new ATOM 529 N VAL A 39 3.214 -13.492 -18.316 1.00 0.00 N ATOM 530 CA VAL A 39 1.788 -13.438 -18.585 1.00 0.00 C ATOM 531 C VAL A 39 1.301 -14.823 -19.012 1.00 0.00 C ATOM 532 O VAL A 39 0.140 -15.169 -18.802 1.00 0.00 O ATOM 533 CB VAL A 39 1.492 -12.353 -19.624 1.00 0.00 C ATOM 534 CG1 VAL A 39 0.846 -12.954 -20.874 1.00 0.00 C ATOM 535 CG2 VAL A 39 0.614 -11.250 -19.029 1.00 0.00 C ATOM 0 H VAL A 39 3.459 -13.567 -17.329 1.00 0.00 H new ATOM 0 HA VAL A 39 1.240 -13.165 -17.684 1.00 0.00 H new ATOM 0 HB VAL A 39 2.440 -11.904 -19.920 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.646 -12.163 -21.596 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.521 -13.687 -21.316 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.090 -13.442 -20.601 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.418 -10.492 -19.787 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.330 -11.678 -18.692 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.127 -10.793 -18.183 1.00 0.00 H new ATOM 545 N VAL A 40 2.214 -15.579 -19.605 1.00 0.00 N ATOM 546 CA VAL A 40 1.892 -16.919 -20.063 1.00 0.00 C ATOM 547 C VAL A 40 0.466 -16.937 -20.617 1.00 0.00 C ATOM 548 O VAL A 40 -0.485 -17.209 -19.885 1.00 0.00 O ATOM 549 CB VAL A 40 2.106 -17.926 -18.931 1.00 0.00 C ATOM 550 CG1 VAL A 40 1.085 -19.064 -19.008 1.00 0.00 C ATOM 551 CG2 VAL A 40 3.536 -18.471 -18.943 1.00 0.00 C ATOM 0 H VAL A 40 3.176 -15.288 -19.778 1.00 0.00 H new ATOM 0 HA VAL A 40 2.559 -17.214 -20.873 1.00 0.00 H new ATOM 0 HB VAL A 40 1.955 -17.403 -17.986 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.260 -19.765 -18.192 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.078 -18.655 -18.926 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.190 -19.583 -19.961 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.660 -19.184 -18.128 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.728 -18.969 -19.894 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.240 -17.649 -18.816 1.00 0.00 H new ATOM 561 N ILE A 41 0.361 -16.641 -21.905 1.00 0.00 N ATOM 562 CA ILE A 41 -0.933 -16.619 -22.564 1.00 0.00 C ATOM 563 C ILE A 41 -1.615 -17.977 -22.385 1.00 0.00 C ATOM 564 O ILE A 41 -0.982 -18.944 -21.965 1.00 0.00 O ATOM 565 CB ILE A 41 -0.781 -16.197 -24.026 1.00 0.00 C ATOM 566 CG1 ILE A 41 -0.067 -14.848 -24.135 1.00 0.00 C ATOM 567 CG2 ILE A 41 -2.136 -16.187 -24.738 1.00 0.00 C ATOM 568 CD1 ILE A 41 0.737 -14.756 -25.435 1.00 0.00 C ATOM 0 H ILE A 41 1.151 -16.415 -22.509 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.582 -15.873 -22.105 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.157 -16.934 -24.531 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.799 -14.041 -24.098 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.598 -14.714 -23.282 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.999 -15.883 -25.776 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.571 -17.186 -24.706 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.804 -15.484 -24.239 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.234 -13.788 -25.487 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.484 -15.549 -25.458 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.066 -14.866 -26.287 1.00 0.00 H new ATOM 579 N ALA A 42 -2.899 -18.006 -22.712 1.00 0.00 N ATOM 580 CA ALA A 42 -3.675 -19.229 -22.592 1.00 0.00 C ATOM 581 C ALA A 42 -3.679 -19.683 -21.130 1.00 0.00 C ATOM 582 O ALA A 42 -3.961 -20.844 -20.839 1.00 0.00 O ATOM 583 CB ALA A 42 -3.100 -20.292 -23.532 1.00 0.00 C ATOM 0 H ALA A 42 -3.421 -17.202 -23.060 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.710 -19.058 -22.887 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.681 -21.210 -23.443 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.146 -19.932 -24.560 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.063 -20.492 -23.264 1.00 0.00 H new TER 589 ALA A 42