USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot -19:sc= -7.06! USER MOD Set 1.2: A 40 HIS :FLIP no HD1:sc= -34.7! C(o=-45!,f=-42!) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00713) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.00715 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= -0.0959 (180deg=-0.512) USER MOD Single : A 7 GLN : amide:sc= -0.819 K(o=-0.82,f=-5.9!) USER MOD Single : A 11 SER OG : rot -130:sc= -0.0512 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 8:sc= -13.2! USER MOD Single : A 32 GLN : amide:sc= -1.91! C(o=-1.9!,f=-5.3!) USER MOD Single : A 37 THR OG1 : rot 170:sc= -0.921! USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.3!) USER MOD Single : A 45 ASN : amide:sc= -0.901 K(o=-0.9,f=-2.2) USER MOD Single : A 47 GLN :FLIP amide:sc= -11.5! C(o=-15!,f=-11!) USER MOD Single : A 48 THR OG1 : rot 110:sc= 1.04 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -156:sc= 0 (180deg=-0.725) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -76:sc= -0.857! USER MOD Single : A 77 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.03) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 170:sc= -0.286 (180deg=-0.475) USER MOD Single : A 94 MET CE :methyl -141:sc= -0.301 (180deg=-2.83!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.249 13.833 30.154 1.00 0.00 N ATOM 2 CA MET A 1 -14.310 14.214 29.184 1.00 0.00 C ATOM 3 C MET A 1 -13.711 14.835 27.928 1.00 0.00 C ATOM 4 O MET A 1 -12.764 15.619 28.002 1.00 0.00 O ATOM 5 CB MET A 1 -15.257 15.205 29.863 1.00 0.00 C ATOM 6 CG MET A 1 -16.259 15.838 28.912 1.00 0.00 C ATOM 7 SD MET A 1 -16.060 17.626 28.785 1.00 0.00 S ATOM 8 CE MET A 1 -16.625 18.144 30.404 1.00 0.00 C ATOM 0 H1 MET A 1 -13.518 14.153 31.106 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.135 12.799 30.155 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.351 14.280 29.880 1.00 0.00 H new ATOM 0 HA MET A 1 -14.855 13.320 28.880 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.798 14.692 30.658 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.669 15.992 30.334 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.148 15.393 27.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.270 15.612 29.252 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.613 19.232 30.463 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.640 17.783 30.568 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.966 17.732 31.168 1.00 0.00 H new ATOM 20 N GLU A 2 -14.268 14.482 26.774 1.00 0.00 N ATOM 21 CA GLU A 2 -13.786 15.006 25.502 1.00 0.00 C ATOM 22 C GLU A 2 -14.935 15.183 24.515 1.00 0.00 C ATOM 23 O GLU A 2 -16.084 14.862 24.818 1.00 0.00 O ATOM 24 CB GLU A 2 -12.729 14.073 24.910 1.00 0.00 C ATOM 25 CG GLU A 2 -13.287 12.738 24.443 1.00 0.00 C ATOM 26 CD GLU A 2 -13.098 12.514 22.956 1.00 0.00 C ATOM 27 OE1 GLU A 2 -12.612 13.440 22.272 1.00 0.00 O ATOM 28 OE2 GLU A 2 -13.436 11.412 22.474 1.00 0.00 O ATOM 0 H GLU A 2 -15.053 13.836 26.694 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.337 15.982 25.687 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.248 14.571 24.068 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.956 13.893 25.657 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.800 11.933 24.993 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.349 12.689 24.682 1.00 0.00 H new ATOM 35 N ALA A 3 -14.615 15.696 23.331 1.00 0.00 N ATOM 36 CA ALA A 3 -15.617 15.917 22.295 1.00 0.00 C ATOM 37 C ALA A 3 -14.999 16.584 21.070 1.00 0.00 C ATOM 38 O ALA A 3 -13.778 16.616 20.918 1.00 0.00 O ATOM 39 CB ALA A 3 -16.761 16.760 22.837 1.00 0.00 C ATOM 0 H ALA A 3 -13.668 15.967 23.065 1.00 0.00 H new ATOM 0 HA ALA A 3 -16.010 14.947 21.990 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -17.501 16.917 22.052 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -17.226 16.245 23.677 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.376 17.724 23.171 1.00 0.00 H new ATOM 45 N ARG A 4 -15.850 17.116 20.199 1.00 0.00 N ATOM 46 CA ARG A 4 -15.387 17.783 18.987 1.00 0.00 C ATOM 47 C ARG A 4 -14.884 16.767 17.966 1.00 0.00 C ATOM 48 O ARG A 4 -15.396 16.687 16.848 1.00 0.00 O ATOM 49 CB ARG A 4 -14.277 18.782 19.321 1.00 0.00 C ATOM 50 CG ARG A 4 -13.917 19.700 18.163 1.00 0.00 C ATOM 51 CD ARG A 4 -13.762 21.140 18.622 1.00 0.00 C ATOM 52 NE ARG A 4 -12.482 21.372 19.285 1.00 0.00 N ATOM 53 CZ ARG A 4 -12.255 22.394 20.104 1.00 0.00 C ATOM 54 NH1 ARG A 4 -13.221 23.264 20.361 1.00 0.00 N ATOM 55 NH2 ARG A 4 -11.064 22.544 20.668 1.00 0.00 N ATOM 0 H ARG A 4 -16.864 17.098 20.310 1.00 0.00 H new ATOM 0 HA ARG A 4 -16.230 18.320 18.553 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -14.589 19.388 20.171 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.387 18.234 19.630 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.988 19.361 17.704 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.691 19.642 17.397 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -13.850 21.805 17.763 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.574 21.392 19.305 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.722 20.715 19.110 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -14.138 23.149 19.930 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.047 24.048 20.989 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.320 21.874 20.474 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.892 23.329 21.296 1.00 0.00 H new ATOM 69 N ASP A 5 -13.882 15.988 18.359 1.00 0.00 N ATOM 70 CA ASP A 5 -13.312 14.976 17.480 1.00 0.00 C ATOM 71 C ASP A 5 -14.307 13.847 17.250 1.00 0.00 C ATOM 72 O ASP A 5 -14.690 13.560 16.116 1.00 0.00 O ATOM 73 CB ASP A 5 -12.022 14.420 18.084 1.00 0.00 C ATOM 74 CG ASP A 5 -10.961 15.487 18.265 1.00 0.00 C ATOM 75 OD1 ASP A 5 -11.122 16.587 17.696 1.00 0.00 O ATOM 76 OD2 ASP A 5 -9.968 15.222 18.975 1.00 0.00 O ATOM 0 H ASP A 5 -13.448 16.039 19.281 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.084 15.441 16.521 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.243 13.964 19.049 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.633 13.631 17.440 1.00 0.00 H new ATOM 81 N LYS A 6 -14.725 13.214 18.338 1.00 0.00 N ATOM 82 CA LYS A 6 -15.676 12.122 18.272 1.00 0.00 C ATOM 83 C LYS A 6 -16.952 12.559 17.561 1.00 0.00 C ATOM 84 O LYS A 6 -17.573 11.775 16.843 1.00 0.00 O ATOM 85 CB LYS A 6 -15.995 11.651 19.685 1.00 0.00 C ATOM 86 CG LYS A 6 -16.189 12.794 20.668 1.00 0.00 C ATOM 87 CD LYS A 6 -17.627 12.876 21.144 1.00 0.00 C ATOM 88 CE LYS A 6 -17.926 11.823 22.198 1.00 0.00 C ATOM 89 NZ LYS A 6 -17.133 12.040 23.439 1.00 0.00 N ATOM 0 H LYS A 6 -14.415 13.444 19.282 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.238 11.302 17.703 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.899 11.042 19.663 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.187 11.010 20.038 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.528 12.656 21.524 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.906 13.735 20.195 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -17.820 13.867 21.554 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.300 12.745 20.296 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.989 11.841 22.438 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.707 10.834 21.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.645 11.643 24.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.210 11.569 23.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.989 13.060 23.585 1.00 0.00 H new ATOM 103 N GLN A 7 -17.340 13.815 17.766 1.00 0.00 N ATOM 104 CA GLN A 7 -18.543 14.351 17.145 1.00 0.00 C ATOM 105 C GLN A 7 -18.455 14.271 15.632 1.00 0.00 C ATOM 106 O GLN A 7 -19.437 13.968 14.955 1.00 0.00 O ATOM 107 CB GLN A 7 -18.774 15.796 17.588 1.00 0.00 C ATOM 108 CG GLN A 7 -19.942 15.953 18.547 1.00 0.00 C ATOM 109 CD GLN A 7 -19.546 16.635 19.842 1.00 0.00 C ATOM 110 OE1 GLN A 7 -19.068 15.990 20.775 1.00 0.00 O ATOM 111 NE2 GLN A 7 -19.746 17.946 19.904 1.00 0.00 N ATOM 0 H GLN A 7 -16.838 14.478 18.357 1.00 0.00 H new ATOM 0 HA GLN A 7 -19.390 13.746 17.469 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -17.869 16.171 18.065 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -18.950 16.414 16.708 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -20.730 16.530 18.063 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -20.358 14.971 18.771 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -20.145 18.439 19.105 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -19.501 18.460 20.750 1.00 0.00 H new ATOM 120 N VAL A 8 -17.268 14.522 15.111 1.00 0.00 N ATOM 121 CA VAL A 8 -17.040 14.456 13.685 1.00 0.00 C ATOM 122 C VAL A 8 -17.164 13.022 13.218 1.00 0.00 C ATOM 123 O VAL A 8 -17.812 12.729 12.213 1.00 0.00 O ATOM 124 CB VAL A 8 -15.651 14.990 13.316 1.00 0.00 C ATOM 125 CG1 VAL A 8 -15.670 15.535 11.908 1.00 0.00 C ATOM 126 CG2 VAL A 8 -15.206 16.056 14.303 1.00 0.00 C ATOM 0 H VAL A 8 -16.446 14.774 15.659 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.788 15.078 13.194 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.933 14.171 13.364 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.681 15.913 11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.947 14.741 11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.397 16.345 11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.218 16.422 14.023 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.916 16.883 14.290 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.164 15.629 15.305 1.00 0.00 H new ATOM 136 N LEU A 9 -16.552 12.127 13.978 1.00 0.00 N ATOM 137 CA LEU A 9 -16.600 10.716 13.681 1.00 0.00 C ATOM 138 C LEU A 9 -18.027 10.295 13.372 1.00 0.00 C ATOM 139 O LEU A 9 -18.367 10.019 12.227 1.00 0.00 O ATOM 140 CB LEU A 9 -16.084 9.933 14.880 1.00 0.00 C ATOM 141 CG LEU A 9 -14.631 9.485 14.785 1.00 0.00 C ATOM 142 CD1 LEU A 9 -14.348 8.868 13.424 1.00 0.00 C ATOM 143 CD2 LEU A 9 -13.697 10.654 15.051 1.00 0.00 C ATOM 0 H LEU A 9 -16.013 12.363 14.811 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.976 10.511 12.811 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.200 10.548 15.773 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.711 9.052 15.016 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.454 8.724 15.545 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.305 8.555 13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.994 8.003 13.275 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.542 9.604 12.644 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.663 10.317 14.979 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.875 11.437 14.314 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.882 11.047 16.051 1.00 0.00 H new ATOM 155 N ARG A 10 -18.848 10.254 14.415 1.00 0.00 N ATOM 156 CA ARG A 10 -20.253 9.862 14.292 1.00 0.00 C ATOM 157 C ARG A 10 -20.950 10.600 13.145 1.00 0.00 C ATOM 158 O ARG A 10 -21.607 9.980 12.304 1.00 0.00 O ATOM 159 CB ARG A 10 -20.980 10.100 15.628 1.00 0.00 C ATOM 160 CG ARG A 10 -22.181 11.035 15.550 1.00 0.00 C ATOM 161 CD ARG A 10 -23.093 10.866 16.755 1.00 0.00 C ATOM 162 NE ARG A 10 -24.306 11.672 16.645 1.00 0.00 N ATOM 163 CZ ARG A 10 -24.316 13.000 16.711 1.00 0.00 C ATOM 164 NH1 ARG A 10 -23.182 13.666 16.877 1.00 0.00 N ATOM 165 NH2 ARG A 10 -25.461 13.662 16.611 1.00 0.00 N ATOM 0 H ARG A 10 -18.564 10.489 15.366 1.00 0.00 H new ATOM 0 HA ARG A 10 -20.291 8.799 14.053 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -21.312 9.139 16.020 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -20.267 10.508 16.345 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -21.837 12.068 15.494 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -22.741 10.835 14.637 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -23.365 9.816 16.859 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -22.553 11.146 17.659 1.00 0.00 H new ATOM 0 HE ARG A 10 -25.195 11.190 16.510 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -22.300 13.160 16.954 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -23.192 14.685 16.927 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -26.335 13.152 16.483 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -25.467 14.681 16.662 1.00 0.00 H new ATOM 179 N SER A 11 -20.812 11.919 13.112 1.00 0.00 N ATOM 180 CA SER A 11 -21.437 12.714 12.062 1.00 0.00 C ATOM 181 C SER A 11 -21.115 12.130 10.691 1.00 0.00 C ATOM 182 O SER A 11 -21.911 11.387 10.113 1.00 0.00 O ATOM 183 CB SER A 11 -20.961 14.165 12.135 1.00 0.00 C ATOM 184 OG SER A 11 -22.020 15.031 12.506 1.00 0.00 O ATOM 0 H SER A 11 -20.278 12.458 13.794 1.00 0.00 H new ATOM 0 HA SER A 11 -22.517 12.691 12.211 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.149 14.249 12.857 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.560 14.469 11.168 1.00 0.00 H new ATOM 0 HG SER A 11 -22.060 15.785 11.881 1.00 0.00 H new ATOM 190 N LEU A 12 -19.940 12.468 10.178 1.00 0.00 N ATOM 191 CA LEU A 12 -19.508 11.979 8.882 1.00 0.00 C ATOM 192 C LEU A 12 -19.460 10.455 8.858 1.00 0.00 C ATOM 193 O LEU A 12 -19.447 9.849 7.790 1.00 0.00 O ATOM 194 CB LEU A 12 -18.136 12.554 8.534 1.00 0.00 C ATOM 195 CG LEU A 12 -18.157 13.738 7.564 1.00 0.00 C ATOM 196 CD1 LEU A 12 -17.904 13.260 6.145 1.00 0.00 C ATOM 197 CD2 LEU A 12 -19.485 14.480 7.651 1.00 0.00 C ATOM 0 H LEU A 12 -19.270 13.080 10.643 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.233 12.307 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.646 12.868 9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.525 11.761 8.102 1.00 0.00 H new ATOM 0 HG LEU A 12 -17.362 14.429 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.922 14.112 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.930 12.774 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.679 12.550 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.480 15.318 6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -20.299 13.801 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.628 14.853 8.665 1.00 0.00 H new ATOM 209 N ARG A 13 -19.438 9.837 10.036 1.00 0.00 N ATOM 210 CA ARG A 13 -19.394 8.381 10.119 1.00 0.00 C ATOM 211 C ARG A 13 -20.440 7.775 9.192 1.00 0.00 C ATOM 212 O ARG A 13 -20.114 7.006 8.289 1.00 0.00 O ATOM 213 CB ARG A 13 -19.611 7.909 11.569 1.00 0.00 C ATOM 214 CG ARG A 13 -20.587 6.753 11.716 1.00 0.00 C ATOM 215 CD ARG A 13 -20.339 5.967 12.994 1.00 0.00 C ATOM 216 NE ARG A 13 -21.587 5.591 13.652 1.00 0.00 N ATOM 217 CZ ARG A 13 -21.644 4.959 14.820 1.00 0.00 C ATOM 218 NH1 ARG A 13 -20.527 4.631 15.455 1.00 0.00 N ATOM 219 NH2 ARG A 13 -22.820 4.653 15.353 1.00 0.00 N ATOM 0 H ARG A 13 -19.450 10.316 10.937 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.407 8.043 9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.650 7.612 11.989 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -19.972 8.750 12.161 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -21.607 7.136 11.717 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -20.496 6.089 10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -19.766 5.069 12.763 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -19.734 6.564 13.676 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.465 5.827 13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -19.621 4.864 15.047 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -20.573 4.146 16.351 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -23.681 4.903 14.866 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -22.863 4.168 16.249 1.00 0.00 H new ATOM 233 N LEU A 14 -21.697 8.129 9.424 1.00 0.00 N ATOM 234 CA LEU A 14 -22.793 7.622 8.614 1.00 0.00 C ATOM 235 C LEU A 14 -22.852 8.332 7.264 1.00 0.00 C ATOM 236 O LEU A 14 -23.193 7.723 6.249 1.00 0.00 O ATOM 237 CB LEU A 14 -24.115 7.803 9.353 1.00 0.00 C ATOM 238 CG LEU A 14 -24.766 9.171 9.165 1.00 0.00 C ATOM 239 CD1 LEU A 14 -25.976 9.066 8.249 1.00 0.00 C ATOM 240 CD2 LEU A 14 -25.158 9.764 10.510 1.00 0.00 C ATOM 0 H LEU A 14 -21.982 8.766 10.168 1.00 0.00 H new ATOM 0 HA LEU A 14 -22.620 6.561 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -24.812 7.035 9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -23.947 7.638 10.417 1.00 0.00 H new ATOM 0 HG LEU A 14 -24.041 9.837 8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -26.427 10.051 8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -25.664 8.687 7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -26.706 8.385 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -25.621 10.739 10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -25.866 9.101 11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -24.269 9.878 11.131 1.00 0.00 H new ATOM 252 N GLU A 15 -22.522 9.622 7.255 1.00 0.00 N ATOM 253 CA GLU A 15 -22.546 10.400 6.023 1.00 0.00 C ATOM 254 C GLU A 15 -21.780 9.673 4.930 1.00 0.00 C ATOM 255 O GLU A 15 -22.370 9.151 3.984 1.00 0.00 O ATOM 256 CB GLU A 15 -21.947 11.788 6.257 1.00 0.00 C ATOM 257 CG GLU A 15 -22.791 12.919 5.694 1.00 0.00 C ATOM 258 CD GLU A 15 -21.958 13.969 4.985 1.00 0.00 C ATOM 259 OE1 GLU A 15 -20.771 13.698 4.708 1.00 0.00 O ATOM 260 OE2 GLU A 15 -22.492 15.063 4.708 1.00 0.00 O ATOM 0 H GLU A 15 -22.237 10.146 8.082 1.00 0.00 H new ATOM 0 HA GLU A 15 -23.582 10.519 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -21.816 11.942 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.955 11.827 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -23.523 12.510 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -23.349 13.389 6.504 1.00 0.00 H new ATOM 267 N LEU A 16 -20.464 9.626 5.078 1.00 0.00 N ATOM 268 CA LEU A 16 -19.615 8.942 4.116 1.00 0.00 C ATOM 269 C LEU A 16 -19.679 7.437 4.336 1.00 0.00 C ATOM 270 O LEU A 16 -19.230 6.655 3.499 1.00 0.00 O ATOM 271 CB LEU A 16 -18.171 9.423 4.241 1.00 0.00 C ATOM 272 CG LEU A 16 -17.661 9.586 5.674 1.00 0.00 C ATOM 273 CD1 LEU A 16 -17.829 8.290 6.453 1.00 0.00 C ATOM 274 CD2 LEU A 16 -16.205 10.022 5.673 1.00 0.00 C ATOM 0 H LEU A 16 -19.962 10.054 5.856 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.976 9.171 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.524 8.718 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.078 10.380 3.728 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.253 10.359 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -17.460 8.426 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -18.884 8.018 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.263 7.496 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.858 10.133 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.601 9.271 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -16.111 10.975 5.153 1.00 0.00 H new ATOM 286 N GLY A 17 -20.240 7.041 5.474 1.00 0.00 N ATOM 287 CA GLY A 17 -20.352 5.629 5.790 1.00 0.00 C ATOM 288 C GLY A 17 -21.586 4.998 5.179 1.00 0.00 C ATOM 289 O GLY A 17 -21.650 3.780 5.011 1.00 0.00 O ATOM 0 H GLY A 17 -20.618 7.671 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -19.465 5.107 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -20.380 5.503 6.872 1.00 0.00 H new ATOM 293 N ALA A 18 -22.568 5.827 4.846 1.00 0.00 N ATOM 294 CA ALA A 18 -23.805 5.342 4.250 1.00 0.00 C ATOM 295 C ALA A 18 -23.608 5.021 2.773 1.00 0.00 C ATOM 296 O ALA A 18 -24.414 4.313 2.169 1.00 0.00 O ATOM 297 CB ALA A 18 -24.915 6.367 4.429 1.00 0.00 C ATOM 0 H ALA A 18 -22.531 6.838 4.979 1.00 0.00 H new ATOM 0 HA ALA A 18 -24.093 4.423 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -25.834 5.991 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -25.078 6.545 5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -24.629 7.301 3.945 1.00 0.00 H new ATOM 303 N GLU A 19 -22.530 5.545 2.196 1.00 0.00 N ATOM 304 CA GLU A 19 -22.228 5.312 0.788 1.00 0.00 C ATOM 305 C GLU A 19 -20.833 5.819 0.433 1.00 0.00 C ATOM 306 O GLU A 19 -20.553 7.014 0.527 1.00 0.00 O ATOM 307 CB GLU A 19 -23.270 5.995 -0.098 1.00 0.00 C ATOM 308 CG GLU A 19 -24.004 5.037 -1.021 1.00 0.00 C ATOM 309 CD GLU A 19 -25.510 5.191 -0.944 1.00 0.00 C ATOM 310 OE1 GLU A 19 -25.989 5.885 -0.023 1.00 0.00 O ATOM 311 OE2 GLU A 19 -26.210 4.617 -1.804 1.00 0.00 O ATOM 0 H GLU A 19 -21.852 6.133 2.681 1.00 0.00 H new ATOM 0 HA GLU A 19 -22.257 4.237 0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -23.996 6.504 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -22.779 6.761 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -23.677 5.205 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -23.734 4.013 -0.764 1.00 0.00 H new ATOM 318 N VAL A 20 -19.964 4.901 0.022 1.00 0.00 N ATOM 319 CA VAL A 20 -18.600 5.253 -0.352 1.00 0.00 C ATOM 320 C VAL A 20 -17.819 4.023 -0.804 1.00 0.00 C ATOM 321 O VAL A 20 -18.180 2.892 -0.477 1.00 0.00 O ATOM 322 CB VAL A 20 -17.849 5.925 0.815 1.00 0.00 C ATOM 323 CG1 VAL A 20 -17.382 4.886 1.824 1.00 0.00 C ATOM 324 CG2 VAL A 20 -16.674 6.739 0.295 1.00 0.00 C ATOM 0 H VAL A 20 -20.181 3.908 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 20 -18.673 5.959 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 20 -18.537 6.603 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -16.855 5.382 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -18.245 4.352 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.712 4.179 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -16.156 7.206 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -15.985 6.084 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -17.038 7.511 -0.383 1.00 0.00 H new ATOM 334 N LEU A 21 -16.749 4.252 -1.557 1.00 0.00 N ATOM 335 CA LEU A 21 -15.917 3.161 -2.053 1.00 0.00 C ATOM 336 C LEU A 21 -15.137 2.512 -0.913 1.00 0.00 C ATOM 337 O LEU A 21 -15.080 3.043 0.196 1.00 0.00 O ATOM 338 CB LEU A 21 -14.950 3.674 -3.121 1.00 0.00 C ATOM 339 CG LEU A 21 -15.063 2.986 -4.482 1.00 0.00 C ATOM 340 CD1 LEU A 21 -14.353 3.802 -5.552 1.00 0.00 C ATOM 341 CD2 LEU A 21 -14.495 1.576 -4.417 1.00 0.00 C ATOM 0 H LEU A 21 -16.437 5.182 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.571 2.410 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.116 4.743 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.931 3.554 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.118 2.917 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.443 3.298 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.807 4.791 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.299 3.903 -5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.584 1.102 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.445 1.620 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.049 0.994 -3.680 1.00 0.00 H new ATOM 353 N VAL A 22 -14.538 1.360 -1.195 1.00 0.00 N ATOM 354 CA VAL A 22 -13.762 0.637 -0.194 1.00 0.00 C ATOM 355 C VAL A 22 -12.292 1.042 -0.238 1.00 0.00 C ATOM 356 O VAL A 22 -11.904 1.925 -1.003 1.00 0.00 O ATOM 357 CB VAL A 22 -13.870 -0.886 -0.395 1.00 0.00 C ATOM 358 CG1 VAL A 22 -15.327 -1.323 -0.398 1.00 0.00 C ATOM 359 CG2 VAL A 22 -13.178 -1.304 -1.684 1.00 0.00 C ATOM 0 H VAL A 22 -14.575 0.907 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.178 0.899 0.779 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.369 -1.380 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.383 -2.402 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.788 -1.059 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.856 -0.822 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.264 -2.383 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.649 -0.801 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.125 -1.027 -1.638 1.00 0.00 H new ATOM 369 N GLU A 23 -11.478 0.391 0.588 1.00 0.00 N ATOM 370 CA GLU A 23 -10.050 0.683 0.642 1.00 0.00 C ATOM 371 C GLU A 23 -9.266 -0.526 1.146 1.00 0.00 C ATOM 372 O GLU A 23 -8.787 -1.340 0.355 1.00 0.00 O ATOM 373 CB GLU A 23 -9.789 1.890 1.545 1.00 0.00 C ATOM 374 CG GLU A 23 -10.225 3.211 0.933 1.00 0.00 C ATOM 375 CD GLU A 23 -11.530 3.720 1.513 1.00 0.00 C ATOM 376 OE1 GLU A 23 -11.498 4.324 2.606 1.00 0.00 O ATOM 377 OE2 GLU A 23 -12.584 3.514 0.875 1.00 0.00 O ATOM 0 H GLU A 23 -11.783 -0.342 1.229 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.713 0.915 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.312 1.746 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.724 1.939 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.446 3.956 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.334 3.090 -0.145 1.00 0.00 H new ATOM 384 N GLY A 24 -9.141 -0.641 2.464 1.00 0.00 N ATOM 385 CA GLY A 24 -8.418 -1.756 3.047 1.00 0.00 C ATOM 386 C GLY A 24 -6.942 -1.464 3.235 1.00 0.00 C ATOM 387 O GLY A 24 -6.158 -2.366 3.533 1.00 0.00 O ATOM 0 H GLY A 24 -9.528 0.019 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.860 -2.006 4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.532 -2.631 2.408 1.00 0.00 H new ATOM 391 N LEU A 25 -6.560 -0.204 3.061 1.00 0.00 N ATOM 392 CA LEU A 25 -5.166 0.197 3.216 1.00 0.00 C ATOM 393 C LEU A 25 -5.001 1.146 4.399 1.00 0.00 C ATOM 394 O LEU A 25 -4.193 0.901 5.295 1.00 0.00 O ATOM 395 CB LEU A 25 -4.658 0.858 1.934 1.00 0.00 C ATOM 396 CG LEU A 25 -4.225 -0.114 0.835 1.00 0.00 C ATOM 397 CD1 LEU A 25 -5.437 -0.788 0.210 1.00 0.00 C ATOM 398 CD2 LEU A 25 -3.411 0.611 -0.225 1.00 0.00 C ATOM 0 H LEU A 25 -7.194 0.556 2.813 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.575 -0.698 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.443 1.503 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.814 1.500 2.184 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.598 -0.885 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.109 -1.476 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.981 -1.340 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.090 -0.031 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.111 -0.095 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.015 1.402 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.523 1.046 0.233 1.00 0.00 H new ATOM 410 N VAL A 26 -5.776 2.226 4.400 1.00 0.00 N ATOM 411 CA VAL A 26 -5.718 3.207 5.479 1.00 0.00 C ATOM 412 C VAL A 26 -5.670 2.518 6.835 1.00 0.00 C ATOM 413 O VAL A 26 -5.062 3.017 7.779 1.00 0.00 O ATOM 414 CB VAL A 26 -6.932 4.148 5.443 1.00 0.00 C ATOM 415 CG1 VAL A 26 -6.994 4.879 4.115 1.00 0.00 C ATOM 416 CG2 VAL A 26 -8.218 3.374 5.694 1.00 0.00 C ATOM 0 H VAL A 26 -6.451 2.444 3.667 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.809 3.791 5.333 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.821 4.887 6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.859 5.542 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.086 5.466 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.082 4.155 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.066 4.058 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.340 2.612 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.170 2.897 6.673 1.00 0.00 H new ATOM 426 N LEU A 27 -6.310 1.361 6.915 1.00 0.00 N ATOM 427 CA LEU A 27 -6.349 0.581 8.143 1.00 0.00 C ATOM 428 C LEU A 27 -4.950 0.162 8.578 1.00 0.00 C ATOM 429 O LEU A 27 -4.763 -0.359 9.675 1.00 0.00 O ATOM 430 CB LEU A 27 -7.215 -0.662 7.941 1.00 0.00 C ATOM 431 CG LEU A 27 -8.416 -0.776 8.878 1.00 0.00 C ATOM 432 CD1 LEU A 27 -7.995 -0.511 10.313 1.00 0.00 C ATOM 433 CD2 LEU A 27 -9.517 0.184 8.455 1.00 0.00 C ATOM 0 H LEU A 27 -6.814 0.938 6.136 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.778 1.207 8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.575 -0.672 6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.590 -1.546 8.068 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.808 -1.791 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.862 -0.596 10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.242 -1.240 10.612 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.579 0.493 10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.364 0.088 9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.140 1.206 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.837 -0.054 7.440 1.00 0.00 H new ATOM 445 N GLN A 28 -3.976 0.368 7.701 1.00 0.00 N ATOM 446 CA GLN A 28 -2.599 -0.014 7.985 1.00 0.00 C ATOM 447 C GLN A 28 -1.815 1.117 8.641 1.00 0.00 C ATOM 448 O GLN A 28 -1.173 0.918 9.671 1.00 0.00 O ATOM 449 CB GLN A 28 -1.907 -0.453 6.697 1.00 0.00 C ATOM 450 CG GLN A 28 -2.357 -1.816 6.200 1.00 0.00 C ATOM 451 CD GLN A 28 -1.192 -2.717 5.842 1.00 0.00 C ATOM 452 OE1 GLN A 28 -0.484 -2.477 4.864 1.00 0.00 O ATOM 453 NE2 GLN A 28 -0.987 -3.763 6.634 1.00 0.00 N ATOM 0 H GLN A 28 -4.114 0.798 6.786 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.625 -0.845 8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.097 0.289 5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.830 -0.473 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.962 -2.298 6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.995 -1.688 5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.598 -3.924 7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.218 -4.405 6.442 1.00 0.00 H new ATOM 462 N TYR A 29 -1.879 2.306 8.056 1.00 0.00 N ATOM 463 CA TYR A 29 -1.180 3.456 8.615 1.00 0.00 C ATOM 464 C TYR A 29 -1.743 3.732 9.986 1.00 0.00 C ATOM 465 O TYR A 29 -1.058 4.209 10.889 1.00 0.00 O ATOM 466 CB TYR A 29 -1.358 4.686 7.706 1.00 0.00 C ATOM 467 CG TYR A 29 -1.730 5.968 8.440 1.00 0.00 C ATOM 468 CD1 TYR A 29 -0.748 6.778 8.994 1.00 0.00 C ATOM 469 CD2 TYR A 29 -3.058 6.369 8.579 1.00 0.00 C ATOM 470 CE1 TYR A 29 -1.066 7.942 9.658 1.00 0.00 C ATOM 471 CE2 TYR A 29 -3.380 7.534 9.246 1.00 0.00 C ATOM 472 CZ TYR A 29 -2.382 8.315 9.781 1.00 0.00 C ATOM 473 OH TYR A 29 -2.700 9.477 10.438 1.00 0.00 O ATOM 0 H TYR A 29 -2.403 2.499 7.202 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.113 3.244 8.686 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.431 4.853 7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.130 4.468 6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.289 6.489 8.902 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.845 5.760 8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.285 8.558 10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.413 7.832 9.348 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.880 9.974 10.640 1.00 0.00 H new ATOM 483 N LEU A 30 -3.014 3.430 10.099 1.00 0.00 N ATOM 484 CA LEU A 30 -3.762 3.627 11.311 1.00 0.00 C ATOM 485 C LEU A 30 -3.413 2.598 12.361 1.00 0.00 C ATOM 486 O LEU A 30 -2.616 2.854 13.259 1.00 0.00 O ATOM 487 CB LEU A 30 -5.229 3.531 10.962 1.00 0.00 C ATOM 488 CG LEU A 30 -5.677 4.552 9.940 1.00 0.00 C ATOM 489 CD1 LEU A 30 -7.033 4.186 9.372 1.00 0.00 C ATOM 490 CD2 LEU A 30 -5.695 5.923 10.566 1.00 0.00 C ATOM 0 H LEU A 30 -3.564 3.034 9.337 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.519 4.603 11.731 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.438 2.532 10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.819 3.656 11.870 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.970 4.560 9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.335 4.935 8.639 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.974 3.210 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.767 4.150 10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.018 6.656 9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.386 5.929 11.409 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.694 6.177 10.915 1.00 0.00 H new ATOM 502 N TYR A 31 -4.020 1.432 12.241 1.00 0.00 N ATOM 503 CA TYR A 31 -3.773 0.361 13.189 1.00 0.00 C ATOM 504 C TYR A 31 -2.294 0.315 13.547 1.00 0.00 C ATOM 505 O TYR A 31 -1.924 -0.085 14.651 1.00 0.00 O ATOM 506 CB TYR A 31 -4.244 -0.982 12.631 1.00 0.00 C ATOM 507 CG TYR A 31 -5.684 -1.296 12.976 1.00 0.00 C ATOM 508 CD1 TYR A 31 -6.682 -0.354 12.774 1.00 0.00 C ATOM 509 CD2 TYR A 31 -6.045 -2.522 13.532 1.00 0.00 C ATOM 510 CE1 TYR A 31 -7.984 -0.616 13.116 1.00 0.00 C ATOM 511 CE2 TYR A 31 -7.351 -2.791 13.872 1.00 0.00 C ATOM 512 CZ TYR A 31 -8.315 -1.835 13.666 1.00 0.00 C ATOM 513 OH TYR A 31 -9.616 -2.100 14.017 1.00 0.00 O ATOM 0 H TYR A 31 -4.684 1.203 11.501 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.344 0.559 14.096 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.129 -0.979 11.547 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.603 -1.774 13.018 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.429 0.602 12.340 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.287 -3.273 13.699 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.747 0.131 12.955 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.616 -3.747 14.298 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.110 -1.258 14.102 1.00 0.00 H new ATOM 523 N GLN A 32 -1.446 0.751 12.617 1.00 0.00 N ATOM 524 CA GLN A 32 -0.014 0.777 12.864 1.00 0.00 C ATOM 525 C GLN A 32 0.363 2.039 13.629 1.00 0.00 C ATOM 526 O GLN A 32 1.082 1.975 14.626 1.00 0.00 O ATOM 527 CB GLN A 32 0.771 0.688 11.554 1.00 0.00 C ATOM 528 CG GLN A 32 0.606 -0.642 10.834 1.00 0.00 C ATOM 529 CD GLN A 32 1.099 -1.818 11.654 1.00 0.00 C ATOM 530 OE1 GLN A 32 0.684 -2.011 12.797 1.00 0.00 O ATOM 531 NE2 GLN A 32 1.988 -2.614 11.072 1.00 0.00 N ATOM 0 H GLN A 32 -1.726 1.087 11.696 1.00 0.00 H new ATOM 0 HA GLN A 32 0.245 -0.092 13.469 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.449 1.492 10.892 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.829 0.850 11.762 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.446 -0.790 10.590 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.150 -0.609 9.890 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.305 -2.417 10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.354 -3.423 11.574 1.00 0.00 H new ATOM 540 N GLU A 33 -0.141 3.184 13.177 1.00 0.00 N ATOM 541 CA GLU A 33 0.138 4.442 13.854 1.00 0.00 C ATOM 542 C GLU A 33 -0.335 4.362 15.299 1.00 0.00 C ATOM 543 O GLU A 33 0.310 4.890 16.206 1.00 0.00 O ATOM 544 CB GLU A 33 -0.546 5.612 13.145 1.00 0.00 C ATOM 545 CG GLU A 33 0.341 6.305 12.122 1.00 0.00 C ATOM 546 CD GLU A 33 1.753 6.525 12.631 1.00 0.00 C ATOM 547 OE1 GLU A 33 2.570 5.585 12.540 1.00 0.00 O ATOM 548 OE2 GLU A 33 2.041 7.637 13.122 1.00 0.00 O ATOM 0 H GLU A 33 -0.738 3.265 12.354 1.00 0.00 H new ATOM 0 HA GLU A 33 1.214 4.614 13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.445 5.249 12.648 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.866 6.341 13.890 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.376 5.707 11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.099 7.266 11.856 1.00 0.00 H new ATOM 555 N GLY A 34 -1.465 3.688 15.508 1.00 0.00 N ATOM 556 CA GLY A 34 -1.999 3.544 16.850 1.00 0.00 C ATOM 557 C GLY A 34 -3.468 3.877 16.924 1.00 0.00 C ATOM 558 O GLY A 34 -4.141 3.533 17.895 1.00 0.00 O ATOM 0 H GLY A 34 -2.016 3.242 14.775 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.844 2.521 17.192 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.447 4.194 17.529 1.00 0.00 H new ATOM 562 N ILE A 35 -3.967 4.528 15.884 1.00 0.00 N ATOM 563 CA ILE A 35 -5.368 4.890 15.805 1.00 0.00 C ATOM 564 C ILE A 35 -6.234 3.856 16.476 1.00 0.00 C ATOM 565 O ILE A 35 -7.133 4.162 17.258 1.00 0.00 O ATOM 566 CB ILE A 35 -5.803 4.926 14.341 1.00 0.00 C ATOM 567 CG1 ILE A 35 -5.049 6.017 13.599 1.00 0.00 C ATOM 568 CG2 ILE A 35 -7.307 5.103 14.225 1.00 0.00 C ATOM 569 CD1 ILE A 35 -5.886 7.232 13.261 1.00 0.00 C ATOM 0 H ILE A 35 -3.414 4.817 15.077 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.482 5.859 16.292 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.556 3.971 13.877 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.200 6.332 14.205 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.645 5.600 12.676 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.591 5.125 13.173 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.810 4.272 14.719 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.601 6.039 14.700 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.272 7.961 12.733 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.721 6.934 12.627 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.269 7.677 14.179 1.00 0.00 H new ATOM 581 N LEU A 36 -5.974 2.627 16.092 1.00 0.00 N ATOM 582 CA LEU A 36 -6.739 1.495 16.566 1.00 0.00 C ATOM 583 C LEU A 36 -6.380 1.053 17.973 1.00 0.00 C ATOM 584 O LEU A 36 -5.358 1.438 18.540 1.00 0.00 O ATOM 585 CB LEU A 36 -6.540 0.339 15.595 1.00 0.00 C ATOM 586 CG LEU A 36 -5.500 -0.687 16.026 1.00 0.00 C ATOM 587 CD1 LEU A 36 -4.251 0.018 16.520 1.00 0.00 C ATOM 588 CD2 LEU A 36 -6.089 -1.611 17.079 1.00 0.00 C ATOM 0 H LEU A 36 -5.226 2.383 15.442 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.783 1.807 16.611 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.495 -0.169 15.456 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.250 0.744 14.625 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.214 -1.302 15.173 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.512 -0.723 16.826 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.839 0.632 15.719 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.503 0.652 17.370 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.339 -2.342 17.382 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.396 -1.026 17.946 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.954 -2.129 16.666 1.00 0.00 H new ATOM 600 N THR A 37 -7.235 0.186 18.488 1.00 0.00 N ATOM 601 CA THR A 37 -7.056 -0.413 19.792 1.00 0.00 C ATOM 602 C THR A 37 -7.679 -1.809 19.839 1.00 0.00 C ATOM 603 O THR A 37 -7.817 -2.471 18.811 1.00 0.00 O ATOM 604 CB THR A 37 -7.634 0.477 20.893 1.00 0.00 C ATOM 605 OG1 THR A 37 -8.895 -0.008 21.321 1.00 0.00 O ATOM 606 CG2 THR A 37 -7.817 1.916 20.464 1.00 0.00 C ATOM 0 H THR A 37 -8.079 -0.122 18.006 1.00 0.00 H new ATOM 0 HA THR A 37 -5.985 -0.511 19.970 1.00 0.00 H new ATOM 0 HB THR A 37 -6.904 0.446 21.702 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.174 0.473 22.128 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.230 2.493 21.292 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.853 2.335 20.176 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.500 1.959 19.615 1.00 0.00 H new ATOM 614 N GLU A 38 -8.036 -2.261 21.035 1.00 0.00 N ATOM 615 CA GLU A 38 -8.625 -3.587 21.208 1.00 0.00 C ATOM 616 C GLU A 38 -9.889 -3.752 20.367 1.00 0.00 C ATOM 617 O GLU A 38 -9.893 -4.456 19.350 1.00 0.00 O ATOM 618 CB GLU A 38 -8.947 -3.832 22.684 1.00 0.00 C ATOM 619 CG GLU A 38 -7.926 -4.706 23.394 1.00 0.00 C ATOM 620 CD GLU A 38 -6.903 -3.898 24.169 1.00 0.00 C ATOM 621 OE1 GLU A 38 -7.254 -2.799 24.647 1.00 0.00 O ATOM 622 OE2 GLU A 38 -5.752 -4.365 24.298 1.00 0.00 O ATOM 0 H GLU A 38 -7.929 -1.731 21.900 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.895 -4.322 20.869 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.011 -2.872 23.197 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.929 -4.300 22.760 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.443 -5.381 24.076 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.412 -5.327 22.660 1.00 0.00 H new ATOM 629 N ASN A 39 -10.963 -3.107 20.803 1.00 0.00 N ATOM 630 CA ASN A 39 -12.236 -3.185 20.101 1.00 0.00 C ATOM 631 C ASN A 39 -12.045 -3.033 18.597 1.00 0.00 C ATOM 632 O ASN A 39 -12.872 -3.498 17.812 1.00 0.00 O ATOM 633 CB ASN A 39 -13.198 -2.117 20.622 1.00 0.00 C ATOM 634 CG ASN A 39 -14.550 -2.694 20.993 1.00 0.00 C ATOM 635 OD1 ASN A 39 -14.923 -2.728 22.166 1.00 0.00 O ATOM 636 ND2 ASN A 39 -15.291 -3.155 19.993 1.00 0.00 N ATOM 0 H ASN A 39 -10.977 -2.524 21.640 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.664 -4.169 20.291 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.761 -1.631 21.494 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.330 -1.347 19.861 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -16.209 -3.557 20.182 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.942 -3.107 19.036 1.00 0.00 H new ATOM 643 N HIS A 40 -10.955 -2.384 18.190 1.00 0.00 N ATOM 644 CA HIS A 40 -10.684 -2.189 16.775 1.00 0.00 C ATOM 645 C HIS A 40 -10.482 -3.517 16.069 1.00 0.00 C ATOM 646 O HIS A 40 -11.335 -3.957 15.298 1.00 0.00 O ATOM 647 CB HIS A 40 -9.444 -1.322 16.619 1.00 0.00 C ATOM 648 CG HIS A 40 -9.709 0.072 16.131 1.00 0.00 C ATOM 649 ND1 HIS A 40 -9.965 0.529 14.889 1.00 0.00 N flip ATOM 650 CD2 HIS A 40 -9.722 1.185 16.951 1.00 0.00 C flip ATOM 651 CE1 HIS A 40 -10.122 1.889 14.969 1.00 0.00 C flip ATOM 652 NE2 HIS A 40 -9.973 2.266 16.220 1.00 0.00 N flip ATOM 0 H HIS A 40 -10.254 -1.989 18.817 1.00 0.00 H new ATOM 0 HA HIS A 40 -11.542 -1.695 16.319 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.934 -1.265 17.581 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.761 -1.811 15.925 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.555 1.177 18.018 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.334 2.545 14.138 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.039 3.222 16.569 1.00 0.00 H new ATOM 661 N ILE A 41 -9.352 -4.152 16.342 1.00 0.00 N ATOM 662 CA ILE A 41 -9.028 -5.432 15.750 1.00 0.00 C ATOM 663 C ILE A 41 -10.287 -6.264 15.565 1.00 0.00 C ATOM 664 O ILE A 41 -10.465 -6.949 14.558 1.00 0.00 O ATOM 665 CB ILE A 41 -8.030 -6.179 16.659 1.00 0.00 C ATOM 666 CG1 ILE A 41 -6.637 -6.151 16.048 1.00 0.00 C ATOM 667 CG2 ILE A 41 -8.471 -7.609 16.920 1.00 0.00 C ATOM 668 CD1 ILE A 41 -6.063 -4.757 15.914 1.00 0.00 C ATOM 0 H ILE A 41 -8.640 -3.793 16.978 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.576 -5.268 14.772 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.005 -5.664 17.620 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.968 -6.753 16.662 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.672 -6.617 15.063 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.743 -8.103 17.564 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.445 -7.606 17.409 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.542 -8.146 15.974 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.069 -4.814 15.471 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.711 -4.157 15.275 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.996 -4.295 16.899 1.00 0.00 H new ATOM 680 N GLN A 42 -11.142 -6.202 16.569 1.00 0.00 N ATOM 681 CA GLN A 42 -12.388 -6.958 16.560 1.00 0.00 C ATOM 682 C GLN A 42 -13.300 -6.523 15.417 1.00 0.00 C ATOM 683 O GLN A 42 -13.693 -7.334 14.575 1.00 0.00 O ATOM 684 CB GLN A 42 -13.114 -6.798 17.896 1.00 0.00 C ATOM 685 CG GLN A 42 -12.984 -8.009 18.804 1.00 0.00 C ATOM 686 CD GLN A 42 -13.993 -8.003 19.934 1.00 0.00 C ATOM 687 OE1 GLN A 42 -15.085 -7.449 19.804 1.00 0.00 O ATOM 688 NE2 GLN A 42 -13.632 -8.620 21.053 1.00 0.00 N ATOM 0 H GLN A 42 -10.999 -5.635 17.405 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.136 -8.008 16.409 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.720 -5.923 18.412 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -14.170 -6.608 17.706 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.111 -8.916 18.213 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.977 -8.039 19.221 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.717 -9.066 21.117 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.270 -8.648 21.849 1.00 0.00 H new ATOM 697 N GLU A 43 -13.641 -5.243 15.396 1.00 0.00 N ATOM 698 CA GLU A 43 -14.516 -4.709 14.367 1.00 0.00 C ATOM 699 C GLU A 43 -13.931 -4.916 12.969 1.00 0.00 C ATOM 700 O GLU A 43 -14.645 -5.289 12.033 1.00 0.00 O ATOM 701 CB GLU A 43 -14.767 -3.223 14.629 1.00 0.00 C ATOM 702 CG GLU A 43 -15.544 -2.953 15.908 1.00 0.00 C ATOM 703 CD GLU A 43 -16.990 -2.578 15.647 1.00 0.00 C ATOM 704 OE1 GLU A 43 -17.326 -2.282 14.482 1.00 0.00 O ATOM 705 OE2 GLU A 43 -17.786 -2.580 16.610 1.00 0.00 O ATOM 0 H GLU A 43 -13.324 -4.556 16.080 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.462 -5.249 14.406 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.809 -2.705 14.679 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.314 -2.801 13.786 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.512 -3.839 16.542 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.058 -2.148 16.460 1.00 0.00 H new ATOM 712 N ILE A 44 -12.632 -4.667 12.820 1.00 0.00 N ATOM 713 CA ILE A 44 -11.984 -4.819 11.544 1.00 0.00 C ATOM 714 C ILE A 44 -12.022 -6.269 11.099 1.00 0.00 C ATOM 715 O ILE A 44 -12.362 -6.566 9.954 1.00 0.00 O ATOM 716 CB ILE A 44 -10.543 -4.309 11.614 1.00 0.00 C ATOM 717 CG1 ILE A 44 -10.540 -2.783 11.743 1.00 0.00 C ATOM 718 CG2 ILE A 44 -9.766 -4.757 10.400 1.00 0.00 C ATOM 719 CD1 ILE A 44 -11.141 -2.064 10.556 1.00 0.00 C ATOM 0 H ILE A 44 -12.018 -4.360 13.574 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.522 -4.223 10.807 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.055 -4.730 12.493 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.091 -2.504 12.641 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.514 -2.442 11.880 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.743 -4.386 10.465 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.755 -5.846 10.357 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.238 -4.363 9.500 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.102 -0.988 10.724 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.577 -2.312 9.657 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.178 -2.374 10.430 1.00 0.00 H new ATOM 731 N ASN A 45 -11.717 -7.176 12.017 1.00 0.00 N ATOM 732 CA ASN A 45 -11.773 -8.590 11.700 1.00 0.00 C ATOM 733 C ASN A 45 -13.099 -8.870 11.009 1.00 0.00 C ATOM 734 O ASN A 45 -13.223 -9.798 10.211 1.00 0.00 O ATOM 735 CB ASN A 45 -11.646 -9.437 12.968 1.00 0.00 C ATOM 736 CG ASN A 45 -10.216 -9.531 13.463 1.00 0.00 C ATOM 737 OD1 ASN A 45 -9.309 -8.921 12.898 1.00 0.00 O ATOM 738 ND2 ASN A 45 -10.008 -10.301 14.526 1.00 0.00 N ATOM 0 H ASN A 45 -11.433 -6.960 12.972 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.943 -8.853 11.044 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.271 -9.008 13.752 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.025 -10.440 12.771 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.067 -10.404 14.905 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.790 -10.789 14.963 1.00 0.00 H new ATOM 745 N ALA A 46 -14.088 -8.034 11.327 1.00 0.00 N ATOM 746 CA ALA A 46 -15.417 -8.152 10.747 1.00 0.00 C ATOM 747 C ALA A 46 -15.412 -7.763 9.270 1.00 0.00 C ATOM 748 O ALA A 46 -16.078 -8.411 8.463 1.00 0.00 O ATOM 749 CB ALA A 46 -16.409 -7.295 11.519 1.00 0.00 C ATOM 0 H ALA A 46 -13.988 -7.264 11.988 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.724 -9.195 10.818 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -17.399 -7.394 11.073 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.444 -7.625 12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -16.096 -6.252 11.480 1.00 0.00 H new ATOM 755 N GLN A 47 -14.662 -6.701 8.927 1.00 0.00 N ATOM 756 CA GLN A 47 -14.568 -6.220 7.542 1.00 0.00 C ATOM 757 C GLN A 47 -14.993 -7.290 6.537 1.00 0.00 C ATOM 758 O GLN A 47 -16.135 -7.306 6.082 1.00 0.00 O ATOM 759 CB GLN A 47 -13.133 -5.787 7.234 1.00 0.00 C ATOM 760 CG GLN A 47 -12.721 -4.491 7.910 1.00 0.00 C ATOM 761 CD GLN A 47 -11.303 -4.081 7.560 1.00 0.00 C ATOM 762 OE1 GLN A 47 -10.954 -2.835 7.857 1.00 0.00 O flip ATOM 763 NE2 GLN A 47 -10.530 -4.877 7.027 1.00 0.00 N flip ATOM 0 H GLN A 47 -14.112 -6.160 9.594 1.00 0.00 H new ATOM 0 HA GLN A 47 -15.246 -5.372 7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -12.451 -6.579 7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.022 -5.674 6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -13.408 -3.697 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -12.807 -4.605 8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.840 -5.826 6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.579 -4.588 6.796 1.00 0.00 H new ATOM 772 N THR A 48 -14.066 -8.185 6.206 1.00 0.00 N ATOM 773 CA THR A 48 -14.338 -9.268 5.264 1.00 0.00 C ATOM 774 C THR A 48 -14.732 -8.730 3.890 1.00 0.00 C ATOM 775 O THR A 48 -13.995 -8.889 2.916 1.00 0.00 O ATOM 776 CB THR A 48 -15.447 -10.174 5.802 1.00 0.00 C ATOM 777 OG1 THR A 48 -15.311 -10.359 7.199 1.00 0.00 O ATOM 778 CG2 THR A 48 -15.466 -11.545 5.158 1.00 0.00 C ATOM 0 H THR A 48 -13.116 -8.182 6.578 1.00 0.00 H new ATOM 0 HA THR A 48 -13.420 -9.845 5.152 1.00 0.00 H new ATOM 0 HB THR A 48 -16.379 -9.663 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.034 -9.888 7.663 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.276 -12.136 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.620 -11.440 4.084 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.516 -12.046 5.341 1.00 0.00 H new ATOM 786 N THR A 49 -15.901 -8.103 3.815 1.00 0.00 N ATOM 787 CA THR A 49 -16.394 -7.554 2.557 1.00 0.00 C ATOM 788 C THR A 49 -15.466 -6.467 2.025 1.00 0.00 C ATOM 789 O THR A 49 -14.617 -6.724 1.171 1.00 0.00 O ATOM 790 CB THR A 49 -17.803 -6.989 2.741 1.00 0.00 C ATOM 791 OG1 THR A 49 -18.156 -6.960 4.112 1.00 0.00 O ATOM 792 CG2 THR A 49 -18.866 -7.779 2.010 1.00 0.00 C ATOM 0 H THR A 49 -16.524 -7.962 4.610 1.00 0.00 H new ATOM 0 HA THR A 49 -16.423 -8.365 1.829 1.00 0.00 H new ATOM 0 HB THR A 49 -17.768 -5.984 2.320 1.00 0.00 H new ATOM 0 HG1 THR A 49 -19.060 -6.594 4.209 1.00 0.00 H new ATOM 0 HG21 THR A 49 -19.841 -7.324 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 49 -18.650 -7.778 0.942 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.874 -8.805 2.378 1.00 0.00 H new ATOM 800 N GLY A 50 -15.638 -5.252 2.532 1.00 0.00 N ATOM 801 CA GLY A 50 -14.814 -4.140 2.094 1.00 0.00 C ATOM 802 C GLY A 50 -15.400 -2.796 2.483 1.00 0.00 C ATOM 803 O GLY A 50 -14.682 -1.801 2.575 1.00 0.00 O ATOM 0 H GLY A 50 -16.334 -5.016 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.818 -4.237 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.697 -4.182 1.011 1.00 0.00 H new ATOM 807 N LEU A 51 -16.708 -2.768 2.712 1.00 0.00 N ATOM 808 CA LEU A 51 -17.388 -1.538 3.098 1.00 0.00 C ATOM 809 C LEU A 51 -17.325 -1.346 4.609 1.00 0.00 C ATOM 810 O LEU A 51 -17.248 -0.220 5.102 1.00 0.00 O ATOM 811 CB LEU A 51 -18.847 -1.569 2.635 1.00 0.00 C ATOM 812 CG LEU A 51 -19.052 -1.891 1.154 1.00 0.00 C ATOM 813 CD1 LEU A 51 -20.460 -2.412 0.912 1.00 0.00 C ATOM 814 CD2 LEU A 51 -18.784 -0.661 0.301 1.00 0.00 C ATOM 0 H LEU A 51 -17.318 -3.582 2.637 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.883 -0.700 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.385 -2.308 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -19.299 -0.600 2.846 1.00 0.00 H new ATOM 0 HG LEU A 51 -18.344 -2.669 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.588 -2.636 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.618 -3.319 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.185 -1.655 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -18.934 -0.907 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -19.469 0.137 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -17.757 -0.330 0.453 1.00 0.00 H new ATOM 826 N ARG A 52 -17.357 -2.457 5.338 1.00 0.00 N ATOM 827 CA ARG A 52 -17.303 -2.420 6.793 1.00 0.00 C ATOM 828 C ARG A 52 -15.985 -1.825 7.276 1.00 0.00 C ATOM 829 O ARG A 52 -15.894 -1.327 8.398 1.00 0.00 O ATOM 830 CB ARG A 52 -17.484 -3.828 7.365 1.00 0.00 C ATOM 831 CG ARG A 52 -18.606 -3.926 8.386 1.00 0.00 C ATOM 832 CD ARG A 52 -18.416 -5.114 9.316 1.00 0.00 C ATOM 833 NE ARG A 52 -19.480 -5.206 10.313 1.00 0.00 N ATOM 834 CZ ARG A 52 -19.434 -4.614 11.503 1.00 0.00 C ATOM 835 NH1 ARG A 52 -18.383 -3.879 11.844 1.00 0.00 N ATOM 836 NH2 ARG A 52 -20.442 -4.755 12.352 1.00 0.00 N ATOM 0 H ARG A 52 -17.420 -3.395 4.943 1.00 0.00 H new ATOM 0 HA ARG A 52 -18.115 -1.784 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.685 -4.521 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.551 -4.146 7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.647 -3.008 8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.562 -4.017 7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -18.389 -6.032 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.453 -5.029 9.820 1.00 0.00 H new ATOM 0 HE ARG A 52 -20.307 -5.757 10.083 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.606 -3.766 11.192 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.352 -3.427 12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.252 -5.317 12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.407 -4.301 13.265 1.00 0.00 H new ATOM 850 N LYS A 53 -14.965 -1.879 6.425 1.00 0.00 N ATOM 851 CA LYS A 53 -13.655 -1.341 6.775 1.00 0.00 C ATOM 852 C LYS A 53 -13.755 0.155 7.081 1.00 0.00 C ATOM 853 O LYS A 53 -13.290 0.624 8.124 1.00 0.00 O ATOM 854 CB LYS A 53 -12.657 -1.579 5.640 1.00 0.00 C ATOM 855 CG LYS A 53 -12.876 -2.891 4.904 1.00 0.00 C ATOM 856 CD LYS A 53 -11.563 -3.492 4.429 1.00 0.00 C ATOM 857 CE LYS A 53 -11.739 -4.941 4.002 1.00 0.00 C ATOM 858 NZ LYS A 53 -11.169 -5.196 2.651 1.00 0.00 N ATOM 0 H LYS A 53 -15.020 -2.288 5.492 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.300 -1.858 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.726 -0.756 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.646 -1.564 6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.383 -3.597 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.531 -2.724 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.175 -2.909 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.824 -3.434 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.256 -5.595 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.799 -5.193 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.310 -6.195 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.647 -4.591 1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.152 -4.980 2.657 1.00 0.00 H new ATOM 872 N THR A 54 -14.378 0.904 6.173 1.00 0.00 N ATOM 873 CA THR A 54 -14.552 2.327 6.368 1.00 0.00 C ATOM 874 C THR A 54 -15.461 2.561 7.562 1.00 0.00 C ATOM 875 O THR A 54 -15.075 3.213 8.533 1.00 0.00 O ATOM 876 CB THR A 54 -15.147 2.962 5.119 1.00 0.00 C ATOM 877 OG1 THR A 54 -14.479 2.508 3.955 1.00 0.00 O ATOM 878 CG2 THR A 54 -15.067 4.464 5.139 1.00 0.00 C ATOM 0 H THR A 54 -14.766 0.544 5.301 1.00 0.00 H new ATOM 0 HA THR A 54 -13.582 2.787 6.557 1.00 0.00 H new ATOM 0 HB THR A 54 -16.195 2.663 5.105 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.878 2.927 3.164 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.506 4.864 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.614 4.846 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.024 4.772 5.206 1.00 0.00 H new ATOM 886 N MET A 55 -16.661 1.990 7.500 1.00 0.00 N ATOM 887 CA MET A 55 -17.602 2.108 8.599 1.00 0.00 C ATOM 888 C MET A 55 -16.864 1.856 9.889 1.00 0.00 C ATOM 889 O MET A 55 -17.087 2.524 10.897 1.00 0.00 O ATOM 890 CB MET A 55 -18.747 1.106 8.441 1.00 0.00 C ATOM 891 CG MET A 55 -20.104 1.757 8.236 1.00 0.00 C ATOM 892 SD MET A 55 -21.422 0.550 7.990 1.00 0.00 S ATOM 893 CE MET A 55 -22.659 1.556 7.175 1.00 0.00 C ATOM 0 H MET A 55 -16.999 1.446 6.706 1.00 0.00 H new ATOM 0 HA MET A 55 -18.033 3.109 8.604 1.00 0.00 H new ATOM 0 HB2 MET A 55 -18.534 0.455 7.593 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.788 0.472 9.327 1.00 0.00 H new ATOM 0 HG2 MET A 55 -20.340 2.376 9.101 1.00 0.00 H new ATOM 0 HG3 MET A 55 -20.058 2.420 7.372 1.00 0.00 H new ATOM 0 HE1 MET A 55 -23.645 1.120 7.334 1.00 0.00 H new ATOM 0 HE2 MET A 55 -22.638 2.564 7.588 1.00 0.00 H new ATOM 0 HE3 MET A 55 -22.448 1.597 6.106 1.00 0.00 H new ATOM 903 N LEU A 56 -15.974 0.884 9.831 1.00 0.00 N ATOM 904 CA LEU A 56 -15.173 0.509 10.958 1.00 0.00 C ATOM 905 C LEU A 56 -14.581 1.708 11.664 1.00 0.00 C ATOM 906 O LEU A 56 -15.108 2.125 12.680 1.00 0.00 O ATOM 907 CB LEU A 56 -14.094 -0.455 10.501 1.00 0.00 C ATOM 908 CG LEU A 56 -14.172 -1.802 11.171 1.00 0.00 C ATOM 909 CD1 LEU A 56 -13.435 -1.727 12.493 1.00 0.00 C ATOM 910 CD2 LEU A 56 -15.636 -2.194 11.345 1.00 0.00 C ATOM 0 H LEU A 56 -15.793 0.335 8.991 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.813 0.015 11.689 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.170 -0.589 9.422 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.117 -0.015 10.699 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.699 -2.573 10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.482 -2.695 12.991 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.393 -1.461 12.314 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.899 -0.970 13.126 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.697 -3.168 11.830 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.141 -1.450 11.961 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.118 -2.244 10.369 1.00 0.00 H new ATOM 922 N LEU A 57 -13.485 2.260 11.157 1.00 0.00 N ATOM 923 CA LEU A 57 -12.879 3.410 11.805 1.00 0.00 C ATOM 924 C LEU A 57 -13.941 4.352 12.346 1.00 0.00 C ATOM 925 O LEU A 57 -13.960 4.675 13.534 1.00 0.00 O ATOM 926 CB LEU A 57 -11.988 4.150 10.828 1.00 0.00 C ATOM 927 CG LEU A 57 -10.544 4.276 11.272 1.00 0.00 C ATOM 928 CD1 LEU A 57 -10.435 5.289 12.397 1.00 0.00 C ATOM 929 CD2 LEU A 57 -9.989 2.934 11.718 1.00 0.00 C ATOM 0 H LEU A 57 -13.008 1.936 10.316 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.278 3.050 12.640 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.017 3.636 9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.395 5.148 10.668 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.954 4.619 10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.395 5.374 12.711 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.789 6.259 12.049 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.043 4.962 13.241 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.952 3.055 12.031 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.578 2.556 12.553 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.038 2.227 10.890 1.00 0.00 H new ATOM 941 N LEU A 58 -14.831 4.776 11.466 1.00 0.00 N ATOM 942 CA LEU A 58 -15.911 5.668 11.846 1.00 0.00 C ATOM 943 C LEU A 58 -16.735 5.048 12.971 1.00 0.00 C ATOM 944 O LEU A 58 -17.391 5.744 13.745 1.00 0.00 O ATOM 945 CB LEU A 58 -16.806 5.942 10.640 1.00 0.00 C ATOM 946 CG LEU A 58 -16.080 6.227 9.323 1.00 0.00 C ATOM 947 CD1 LEU A 58 -17.044 6.095 8.156 1.00 0.00 C ATOM 948 CD2 LEU A 58 -15.454 7.613 9.348 1.00 0.00 C ATOM 0 H LEU A 58 -14.826 4.515 10.480 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.484 6.607 12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.460 5.082 10.494 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.446 6.793 10.872 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.281 5.496 9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -16.517 6.300 7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.447 5.083 8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -17.860 6.808 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.942 7.798 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.233 8.362 9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.737 7.674 10.167 1.00 0.00 H new ATOM 960 N ASP A 59 -16.691 3.725 13.032 1.00 0.00 N ATOM 961 CA ASP A 59 -17.420 2.949 14.033 1.00 0.00 C ATOM 962 C ASP A 59 -16.596 2.721 15.300 1.00 0.00 C ATOM 963 O ASP A 59 -17.143 2.616 16.397 1.00 0.00 O ATOM 964 CB ASP A 59 -17.807 1.588 13.444 1.00 0.00 C ATOM 965 CG ASP A 59 -19.247 1.546 12.971 1.00 0.00 C ATOM 966 OD1 ASP A 59 -20.104 2.178 13.622 1.00 0.00 O ATOM 967 OD2 ASP A 59 -19.517 0.880 11.949 1.00 0.00 O ATOM 0 H ASP A 59 -16.146 3.154 12.386 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.307 3.521 14.305 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.147 1.357 12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.652 0.814 14.195 1.00 0.00 H new ATOM 972 N ILE A 60 -15.286 2.609 15.133 1.00 0.00 N ATOM 973 CA ILE A 60 -14.383 2.353 16.239 1.00 0.00 C ATOM 974 C ILE A 60 -13.975 3.639 16.949 1.00 0.00 C ATOM 975 O ILE A 60 -14.149 3.769 18.161 1.00 0.00 O ATOM 976 CB ILE A 60 -13.117 1.631 15.742 1.00 0.00 C ATOM 977 CG1 ILE A 60 -13.442 0.661 14.608 1.00 0.00 C ATOM 978 CG2 ILE A 60 -12.462 0.871 16.869 1.00 0.00 C ATOM 979 CD1 ILE A 60 -12.390 0.634 13.528 1.00 0.00 C ATOM 0 H ILE A 60 -14.823 2.693 14.228 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.918 1.722 16.948 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.433 2.394 15.370 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.557 -0.342 15.019 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -14.400 0.937 14.166 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -11.569 0.368 16.498 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -12.184 1.565 17.662 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.159 0.131 17.262 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -12.682 -0.075 12.753 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -12.291 1.628 13.092 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.436 0.329 13.957 1.00 0.00 H new ATOM 991 N LEU A 61 -13.424 4.583 16.194 1.00 0.00 N ATOM 992 CA LEU A 61 -12.989 5.850 16.766 1.00 0.00 C ATOM 993 C LEU A 61 -13.970 6.329 17.830 1.00 0.00 C ATOM 994 O LEU A 61 -13.563 6.705 18.930 1.00 0.00 O ATOM 995 CB LEU A 61 -12.824 6.910 15.678 1.00 0.00 C ATOM 996 CG LEU A 61 -11.701 6.640 14.680 1.00 0.00 C ATOM 997 CD1 LEU A 61 -11.513 7.829 13.751 1.00 0.00 C ATOM 998 CD2 LEU A 61 -10.405 6.320 15.410 1.00 0.00 C ATOM 0 H LEU A 61 -13.269 4.495 15.190 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.020 5.690 17.239 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.763 6.997 15.131 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.642 7.873 16.155 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.978 5.776 14.076 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.708 7.617 13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.437 8.011 13.202 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.259 8.712 14.337 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.615 6.130 14.683 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.124 7.164 16.039 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.546 5.436 16.031 1.00 0.00 H new ATOM 1010 N PRO A 62 -15.281 6.318 17.528 1.00 0.00 N ATOM 1011 CA PRO A 62 -16.301 6.749 18.484 1.00 0.00 C ATOM 1012 C PRO A 62 -16.112 6.096 19.847 1.00 0.00 C ATOM 1013 O PRO A 62 -16.607 6.591 20.859 1.00 0.00 O ATOM 1014 CB PRO A 62 -17.609 6.286 17.843 1.00 0.00 C ATOM 1015 CG PRO A 62 -17.323 6.268 16.382 1.00 0.00 C ATOM 1016 CD PRO A 62 -15.875 5.882 16.246 1.00 0.00 C ATOM 0 HA PRO A 62 -16.265 7.822 18.670 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.899 5.299 18.203 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -18.428 6.965 18.079 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.967 5.555 15.867 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -17.510 7.245 15.936 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -15.758 4.809 16.093 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.405 6.378 15.397 1.00 0.00 H new ATOM 1024 N SER A 63 -15.390 4.978 19.868 1.00 0.00 N ATOM 1025 CA SER A 63 -15.139 4.261 21.112 1.00 0.00 C ATOM 1026 C SER A 63 -13.644 4.049 21.336 1.00 0.00 C ATOM 1027 O SER A 63 -13.184 3.965 22.475 1.00 0.00 O ATOM 1028 CB SER A 63 -15.859 2.912 21.100 1.00 0.00 C ATOM 1029 OG SER A 63 -15.886 2.335 22.395 1.00 0.00 O ATOM 0 H SER A 63 -14.971 4.552 19.041 1.00 0.00 H new ATOM 0 HA SER A 63 -15.525 4.868 21.931 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.878 3.044 20.736 1.00 0.00 H new ATOM 0 HB3 SER A 63 -15.358 2.235 20.408 1.00 0.00 H new ATOM 0 HG SER A 63 -16.353 1.474 22.360 1.00 0.00 H new ATOM 1035 N ARG A 64 -12.891 3.953 20.245 1.00 0.00 N ATOM 1036 CA ARG A 64 -11.452 3.738 20.328 1.00 0.00 C ATOM 1037 C ARG A 64 -10.694 4.738 19.463 1.00 0.00 C ATOM 1038 O ARG A 64 -10.167 4.384 18.409 1.00 0.00 O ATOM 1039 CB ARG A 64 -11.101 2.315 19.888 1.00 0.00 C ATOM 1040 CG ARG A 64 -12.230 1.314 20.078 1.00 0.00 C ATOM 1041 CD ARG A 64 -12.107 0.576 21.400 1.00 0.00 C ATOM 1042 NE ARG A 64 -11.584 1.429 22.464 1.00 0.00 N ATOM 1043 CZ ARG A 64 -11.844 1.242 23.753 1.00 0.00 C ATOM 1044 NH1 ARG A 64 -12.617 0.236 24.138 1.00 0.00 N ATOM 1045 NH2 ARG A 64 -11.329 2.062 24.660 1.00 0.00 N ATOM 0 H ARG A 64 -13.254 4.021 19.294 1.00 0.00 H new ATOM 0 HA ARG A 64 -11.155 3.882 21.367 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.816 2.331 18.836 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.230 1.976 20.449 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.188 1.833 20.038 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.222 0.596 19.258 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.085 0.193 21.692 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.452 -0.286 21.273 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.985 2.212 22.202 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.014 -0.397 23.444 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.815 0.095 25.129 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.733 2.836 24.368 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.529 1.918 25.650 1.00 0.00 H new ATOM 1059 N GLY A 65 -10.635 5.986 19.913 1.00 0.00 N ATOM 1060 CA GLY A 65 -9.929 7.004 19.159 1.00 0.00 C ATOM 1061 C GLY A 65 -10.481 8.397 19.385 1.00 0.00 C ATOM 1062 O GLY A 65 -11.004 9.018 18.460 1.00 0.00 O ATOM 0 H GLY A 65 -11.061 6.310 20.781 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.875 6.988 19.435 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.984 6.765 18.097 1.00 0.00 H new ATOM 1066 N PRO A 66 -10.369 8.923 20.613 1.00 0.00 N ATOM 1067 CA PRO A 66 -10.855 10.263 20.942 1.00 0.00 C ATOM 1068 C PRO A 66 -9.975 11.347 20.331 1.00 0.00 C ATOM 1069 O PRO A 66 -10.372 12.509 20.238 1.00 0.00 O ATOM 1070 CB PRO A 66 -10.778 10.302 22.469 1.00 0.00 C ATOM 1071 CG PRO A 66 -9.701 9.335 22.819 1.00 0.00 C ATOM 1072 CD PRO A 66 -9.749 8.254 21.771 1.00 0.00 C ATOM 0 HA PRO A 66 -11.856 10.450 20.553 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.542 11.304 22.828 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.728 10.017 22.921 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.727 9.824 22.829 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.859 8.920 23.814 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.753 7.881 21.533 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.338 7.399 22.103 1.00 0.00 H new ATOM 1080 N LYS A 67 -8.777 10.951 19.912 1.00 0.00 N ATOM 1081 CA LYS A 67 -7.829 11.876 19.302 1.00 0.00 C ATOM 1082 C LYS A 67 -7.208 11.268 18.045 1.00 0.00 C ATOM 1083 O LYS A 67 -6.289 11.840 17.458 1.00 0.00 O ATOM 1084 CB LYS A 67 -6.730 12.244 20.301 1.00 0.00 C ATOM 1085 CG LYS A 67 -7.086 11.925 21.744 1.00 0.00 C ATOM 1086 CD LYS A 67 -5.893 12.121 22.668 1.00 0.00 C ATOM 1087 CE LYS A 67 -6.261 11.852 24.118 1.00 0.00 C ATOM 1088 NZ LYS A 67 -5.057 11.609 24.960 1.00 0.00 N ATOM 0 H LYS A 67 -8.439 9.991 19.984 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.370 12.779 19.018 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.816 11.712 20.035 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.515 13.309 20.216 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.907 12.565 22.067 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.437 10.895 21.814 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.085 11.454 22.367 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.519 13.140 22.570 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.817 12.702 24.515 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.922 10.987 24.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.350 11.430 25.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.540 10.783 24.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.439 12.445 24.931 1.00 0.00 H new ATOM 1102 N ALA A 68 -7.714 10.106 17.640 1.00 0.00 N ATOM 1103 CA ALA A 68 -7.210 9.421 16.460 1.00 0.00 C ATOM 1104 C ALA A 68 -7.542 10.187 15.188 1.00 0.00 C ATOM 1105 O ALA A 68 -6.854 10.053 14.182 1.00 0.00 O ATOM 1106 CB ALA A 68 -7.797 8.017 16.379 1.00 0.00 C ATOM 0 H ALA A 68 -8.475 9.620 18.115 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.125 9.360 16.549 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.413 7.513 15.492 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.515 7.453 17.268 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.884 8.080 16.319 1.00 0.00 H new ATOM 1112 N PHE A 69 -8.610 10.975 15.233 1.00 0.00 N ATOM 1113 CA PHE A 69 -9.041 11.735 14.071 1.00 0.00 C ATOM 1114 C PHE A 69 -7.865 12.244 13.244 1.00 0.00 C ATOM 1115 O PHE A 69 -7.598 11.724 12.161 1.00 0.00 O ATOM 1116 CB PHE A 69 -9.938 12.893 14.491 1.00 0.00 C ATOM 1117 CG PHE A 69 -11.119 13.045 13.587 1.00 0.00 C ATOM 1118 CD1 PHE A 69 -11.842 11.932 13.194 1.00 0.00 C ATOM 1119 CD2 PHE A 69 -11.494 14.287 13.113 1.00 0.00 C ATOM 1120 CE1 PHE A 69 -12.919 12.055 12.345 1.00 0.00 C ATOM 1121 CE2 PHE A 69 -12.572 14.419 12.265 1.00 0.00 C ATOM 1122 CZ PHE A 69 -13.286 13.302 11.878 1.00 0.00 C ATOM 0 H PHE A 69 -9.191 11.103 16.061 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.611 11.056 13.437 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.282 12.732 15.513 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.360 13.817 14.491 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.558 10.956 13.558 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.937 15.163 13.410 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.475 11.179 12.045 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.858 15.395 11.903 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.130 13.403 11.211 1.00 0.00 H new ATOM 1132 N ASP A 70 -7.178 13.268 13.745 1.00 0.00 N ATOM 1133 CA ASP A 70 -6.040 13.848 13.033 1.00 0.00 C ATOM 1134 C ASP A 70 -5.301 12.784 12.231 1.00 0.00 C ATOM 1135 O ASP A 70 -4.899 13.014 11.090 1.00 0.00 O ATOM 1136 CB ASP A 70 -5.082 14.519 14.018 1.00 0.00 C ATOM 1137 CG ASP A 70 -5.610 15.846 14.524 1.00 0.00 C ATOM 1138 OD1 ASP A 70 -5.836 16.751 13.693 1.00 0.00 O ATOM 1139 OD2 ASP A 70 -5.797 15.982 15.751 1.00 0.00 O ATOM 0 H ASP A 70 -7.388 13.713 14.639 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.421 14.599 12.341 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.910 13.853 14.864 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.118 14.675 13.534 1.00 0.00 H new ATOM 1144 N THR A 71 -5.140 11.615 12.834 1.00 0.00 N ATOM 1145 CA THR A 71 -4.464 10.506 12.182 1.00 0.00 C ATOM 1146 C THR A 71 -5.420 9.786 11.236 1.00 0.00 C ATOM 1147 O THR A 71 -5.115 9.601 10.061 1.00 0.00 O ATOM 1148 CB THR A 71 -3.905 9.545 13.240 1.00 0.00 C ATOM 1149 OG1 THR A 71 -3.023 10.228 14.112 1.00 0.00 O ATOM 1150 CG2 THR A 71 -3.149 8.367 12.663 1.00 0.00 C ATOM 0 H THR A 71 -5.470 11.411 13.777 1.00 0.00 H new ATOM 0 HA THR A 71 -3.633 10.889 11.590 1.00 0.00 H new ATOM 0 HB THR A 71 -4.781 9.163 13.765 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.676 9.603 14.782 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.786 7.735 13.474 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.813 7.788 12.021 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.303 8.729 12.078 1.00 0.00 H new ATOM 1158 N PHE A 72 -6.584 9.393 11.748 1.00 0.00 N ATOM 1159 CA PHE A 72 -7.576 8.705 10.937 1.00 0.00 C ATOM 1160 C PHE A 72 -7.789 9.447 9.621 1.00 0.00 C ATOM 1161 O PHE A 72 -8.196 8.853 8.622 1.00 0.00 O ATOM 1162 CB PHE A 72 -8.896 8.551 11.713 1.00 0.00 C ATOM 1163 CG PHE A 72 -10.136 8.786 10.891 1.00 0.00 C ATOM 1164 CD1 PHE A 72 -10.645 7.785 10.078 1.00 0.00 C ATOM 1165 CD2 PHE A 72 -10.793 10.006 10.935 1.00 0.00 C ATOM 1166 CE1 PHE A 72 -11.785 7.996 9.326 1.00 0.00 C ATOM 1167 CE2 PHE A 72 -11.933 10.222 10.185 1.00 0.00 C ATOM 1168 CZ PHE A 72 -12.430 9.216 9.380 1.00 0.00 C ATOM 0 H PHE A 72 -6.860 9.540 12.719 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.209 7.705 10.705 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.940 7.547 12.134 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.893 9.248 12.551 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.145 6.829 10.032 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -10.409 10.797 11.563 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -12.171 7.208 8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.435 11.177 10.228 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.321 9.383 8.794 1.00 0.00 H new ATOM 1178 N LEU A 73 -7.499 10.746 9.621 1.00 0.00 N ATOM 1179 CA LEU A 73 -7.651 11.550 8.417 1.00 0.00 C ATOM 1180 C LEU A 73 -6.387 11.498 7.584 1.00 0.00 C ATOM 1181 O LEU A 73 -6.431 11.543 6.357 1.00 0.00 O ATOM 1182 CB LEU A 73 -7.995 12.996 8.769 1.00 0.00 C ATOM 1183 CG LEU A 73 -9.247 13.161 9.618 1.00 0.00 C ATOM 1184 CD1 LEU A 73 -8.887 13.686 10.996 1.00 0.00 C ATOM 1185 CD2 LEU A 73 -10.242 14.085 8.927 1.00 0.00 C ATOM 0 H LEU A 73 -7.160 11.258 10.435 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.473 11.136 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.151 13.437 9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.121 13.561 7.845 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.718 12.185 9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.793 13.798 11.591 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.215 12.984 11.489 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.394 14.653 10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.131 14.192 9.548 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.786 15.063 8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.522 13.662 7.962 1.00 0.00 H new ATOM 1197 N ASP A 74 -5.264 11.374 8.262 1.00 0.00 N ATOM 1198 CA ASP A 74 -3.981 11.280 7.582 1.00 0.00 C ATOM 1199 C ASP A 74 -3.964 10.045 6.692 1.00 0.00 C ATOM 1200 O ASP A 74 -3.127 9.917 5.799 1.00 0.00 O ATOM 1201 CB ASP A 74 -2.834 11.233 8.590 1.00 0.00 C ATOM 1202 CG ASP A 74 -1.854 12.375 8.405 1.00 0.00 C ATOM 1203 OD1 ASP A 74 -2.277 13.451 7.932 1.00 0.00 O ATOM 1204 OD2 ASP A 74 -0.663 12.192 8.732 1.00 0.00 O ATOM 0 H ASP A 74 -5.210 11.336 9.280 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.844 12.167 6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.241 11.267 9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.306 10.285 8.491 1.00 0.00 H new ATOM 1209 N SER A 75 -4.913 9.145 6.938 1.00 0.00 N ATOM 1210 CA SER A 75 -5.036 7.922 6.156 1.00 0.00 C ATOM 1211 C SER A 75 -5.964 8.137 4.975 1.00 0.00 C ATOM 1212 O SER A 75 -5.712 7.641 3.880 1.00 0.00 O ATOM 1213 CB SER A 75 -5.600 6.791 7.011 1.00 0.00 C ATOM 1214 OG SER A 75 -7.016 6.807 7.001 1.00 0.00 O ATOM 0 H SER A 75 -5.610 9.242 7.676 1.00 0.00 H new ATOM 0 HA SER A 75 -4.040 7.656 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.241 5.833 6.636 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.239 6.889 8.035 1.00 0.00 H new ATOM 0 HG SER A 75 -7.339 7.530 7.578 1.00 0.00 H new ATOM 1220 N LEU A 76 -7.043 8.873 5.235 1.00 0.00 N ATOM 1221 CA LEU A 76 -8.066 9.175 4.240 1.00 0.00 C ATOM 1222 C LEU A 76 -7.620 8.911 2.810 1.00 0.00 C ATOM 1223 O LEU A 76 -7.329 9.826 2.069 1.00 0.00 O ATOM 1224 CB LEU A 76 -8.504 10.619 4.410 1.00 0.00 C ATOM 1225 CG LEU A 76 -9.599 10.792 5.440 1.00 0.00 C ATOM 1226 CD1 LEU A 76 -9.948 12.254 5.630 1.00 0.00 C ATOM 1227 CD2 LEU A 76 -10.798 9.988 5.013 1.00 0.00 C ATOM 0 H LEU A 76 -7.232 9.279 6.151 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.903 8.499 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.643 11.221 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.853 11.002 3.451 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.250 10.427 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.738 12.346 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.066 12.798 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.292 12.672 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.595 10.105 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.146 10.341 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.523 8.936 4.940 1.00 0.00 H new ATOM 1239 N GLN A 77 -7.586 7.645 2.427 1.00 0.00 N ATOM 1240 CA GLN A 77 -7.179 7.260 1.077 1.00 0.00 C ATOM 1241 C GLN A 77 -7.588 8.295 0.017 1.00 0.00 C ATOM 1242 O GLN A 77 -6.935 8.410 -1.020 1.00 0.00 O ATOM 1243 CB GLN A 77 -7.779 5.899 0.718 1.00 0.00 C ATOM 1244 CG GLN A 77 -6.736 4.824 0.461 1.00 0.00 C ATOM 1245 CD GLN A 77 -6.556 4.529 -1.015 1.00 0.00 C ATOM 1246 OE1 GLN A 77 -5.448 4.611 -1.545 1.00 0.00 O ATOM 1247 NE2 GLN A 77 -7.648 4.186 -1.687 1.00 0.00 N ATOM 0 H GLN A 77 -7.835 6.861 3.031 1.00 0.00 H new ATOM 0 HA GLN A 77 -6.090 7.205 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.432 5.574 1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.402 6.009 -0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.782 5.140 0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.027 3.909 0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.546 4.131 -1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.589 3.978 -2.684 1.00 0.00 H new ATOM 1256 N GLU A 78 -8.679 9.025 0.258 1.00 0.00 N ATOM 1257 CA GLU A 78 -9.166 10.017 -0.710 1.00 0.00 C ATOM 1258 C GLU A 78 -9.225 11.426 -0.127 1.00 0.00 C ATOM 1259 O GLU A 78 -9.876 12.307 -0.689 1.00 0.00 O ATOM 1260 CB GLU A 78 -10.555 9.623 -1.187 1.00 0.00 C ATOM 1261 CG GLU A 78 -11.232 8.600 -0.292 1.00 0.00 C ATOM 1262 CD GLU A 78 -12.625 8.236 -0.765 1.00 0.00 C ATOM 1263 OE1 GLU A 78 -13.043 8.743 -1.827 1.00 0.00 O ATOM 1264 OE2 GLU A 78 -13.298 7.443 -0.073 1.00 0.00 O ATOM 0 H GLU A 78 -9.240 8.951 1.107 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.458 10.030 -1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.179 10.515 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.484 9.220 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.620 7.699 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.289 8.993 0.723 1.00 0.00 H new ATOM 1271 N PHE A 79 -8.564 11.614 1.004 1.00 0.00 N ATOM 1272 CA PHE A 79 -8.534 12.906 1.714 1.00 0.00 C ATOM 1273 C PHE A 79 -9.055 14.082 0.882 1.00 0.00 C ATOM 1274 O PHE A 79 -10.020 14.737 1.276 1.00 0.00 O ATOM 1275 CB PHE A 79 -7.128 13.231 2.208 1.00 0.00 C ATOM 1276 CG PHE A 79 -6.212 12.053 2.211 1.00 0.00 C ATOM 1277 CD1 PHE A 79 -5.814 11.458 1.027 1.00 0.00 C ATOM 1278 CD2 PHE A 79 -5.784 11.510 3.407 1.00 0.00 C ATOM 1279 CE1 PHE A 79 -5.000 10.346 1.038 1.00 0.00 C ATOM 1280 CE2 PHE A 79 -4.975 10.397 3.428 1.00 0.00 C ATOM 1281 CZ PHE A 79 -4.580 9.811 2.241 1.00 0.00 C ATOM 0 H PHE A 79 -8.028 10.880 1.466 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.211 12.780 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.701 14.012 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.191 13.635 3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.145 11.869 0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.088 11.965 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.691 9.893 0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.650 9.982 4.371 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.945 8.938 2.253 1.00 0.00 H new ATOM 1291 N PRO A 80 -8.422 14.385 -0.269 1.00 0.00 N ATOM 1292 CA PRO A 80 -8.829 15.498 -1.124 1.00 0.00 C ATOM 1293 C PRO A 80 -10.335 15.737 -1.129 1.00 0.00 C ATOM 1294 O PRO A 80 -10.789 16.860 -1.349 1.00 0.00 O ATOM 1295 CB PRO A 80 -8.339 15.049 -2.494 1.00 0.00 C ATOM 1296 CG PRO A 80 -7.082 14.300 -2.203 1.00 0.00 C ATOM 1297 CD PRO A 80 -7.253 13.682 -0.833 1.00 0.00 C ATOM 0 HA PRO A 80 -8.419 16.450 -0.788 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.074 14.417 -2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.153 15.900 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.906 13.531 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.220 14.967 -2.222 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.426 12.608 -0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.365 13.825 -0.217 1.00 0.00 H new ATOM 1305 N TRP A 81 -11.108 14.684 -0.890 1.00 0.00 N ATOM 1306 CA TRP A 81 -12.561 14.802 -0.872 1.00 0.00 C ATOM 1307 C TRP A 81 -13.145 14.298 0.444 1.00 0.00 C ATOM 1308 O TRP A 81 -14.200 14.761 0.881 1.00 0.00 O ATOM 1309 CB TRP A 81 -13.168 14.028 -2.041 1.00 0.00 C ATOM 1310 CG TRP A 81 -14.660 13.922 -1.971 1.00 0.00 C ATOM 1311 CD1 TRP A 81 -15.385 12.996 -1.277 1.00 0.00 C ATOM 1312 CD2 TRP A 81 -15.612 14.774 -2.620 1.00 0.00 C ATOM 1313 NE1 TRP A 81 -16.729 13.220 -1.455 1.00 0.00 N ATOM 1314 CE2 TRP A 81 -16.894 14.305 -2.276 1.00 0.00 C ATOM 1315 CE3 TRP A 81 -15.504 15.887 -3.457 1.00 0.00 C ATOM 1316 CZ2 TRP A 81 -18.058 14.912 -2.741 1.00 0.00 C ATOM 1317 CZ3 TRP A 81 -16.660 16.488 -3.919 1.00 0.00 C ATOM 1318 CH2 TRP A 81 -17.922 16.000 -3.559 1.00 0.00 C ATOM 0 H TRP A 81 -10.756 13.744 -0.707 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.810 15.859 -0.970 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -12.889 14.516 -2.975 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.740 13.026 -2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -14.964 12.204 -0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -17.482 12.668 -1.043 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.535 16.271 -3.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -19.033 14.537 -2.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -16.589 17.348 -4.568 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -18.806 16.493 -3.935 1.00 0.00 H new ATOM 1329 N VAL A 82 -12.458 13.352 1.077 1.00 0.00 N ATOM 1330 CA VAL A 82 -12.927 12.798 2.341 1.00 0.00 C ATOM 1331 C VAL A 82 -12.427 13.626 3.518 1.00 0.00 C ATOM 1332 O VAL A 82 -13.155 13.849 4.485 1.00 0.00 O ATOM 1333 CB VAL A 82 -12.471 11.342 2.521 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -13.048 10.455 1.430 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -10.959 11.272 2.522 1.00 0.00 C ATOM 0 H VAL A 82 -11.581 12.956 0.738 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.016 12.826 2.315 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.841 10.977 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.711 9.429 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -14.137 10.489 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.711 10.810 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.643 10.237 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.576 11.654 1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.567 11.875 3.341 1.00 0.00 H new ATOM 1345 N ARG A 83 -11.183 14.090 3.424 1.00 0.00 N ATOM 1346 CA ARG A 83 -10.595 14.905 4.480 1.00 0.00 C ATOM 1347 C ARG A 83 -11.290 16.257 4.536 1.00 0.00 C ATOM 1348 O ARG A 83 -11.556 16.784 5.614 1.00 0.00 O ATOM 1349 CB ARG A 83 -9.078 15.055 4.261 1.00 0.00 C ATOM 1350 CG ARG A 83 -8.595 16.490 4.079 1.00 0.00 C ATOM 1351 CD ARG A 83 -7.114 16.628 4.393 1.00 0.00 C ATOM 1352 NE ARG A 83 -6.783 17.970 4.866 1.00 0.00 N ATOM 1353 CZ ARG A 83 -5.633 18.282 5.456 1.00 0.00 C ATOM 1354 NH1 ARG A 83 -4.708 17.353 5.646 1.00 0.00 N ATOM 1355 NH2 ARG A 83 -5.409 19.527 5.857 1.00 0.00 N ATOM 0 H ARG A 83 -10.566 13.916 2.630 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.739 14.411 5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.557 14.617 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.793 14.477 3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.781 16.809 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.168 17.152 4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.833 15.896 5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.531 16.403 3.500 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.473 18.710 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.877 16.395 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.827 17.596 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.119 20.245 5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.527 19.766 6.310 1.00 0.00 H new ATOM 1369 N GLU A 84 -11.604 16.802 3.368 1.00 0.00 N ATOM 1370 CA GLU A 84 -12.292 18.073 3.294 1.00 0.00 C ATOM 1371 C GLU A 84 -13.658 17.938 3.941 1.00 0.00 C ATOM 1372 O GLU A 84 -13.983 18.641 4.893 1.00 0.00 O ATOM 1373 CB GLU A 84 -12.436 18.504 1.837 1.00 0.00 C ATOM 1374 CG GLU A 84 -11.165 18.333 1.027 1.00 0.00 C ATOM 1375 CD GLU A 84 -11.105 19.266 -0.168 1.00 0.00 C ATOM 1376 OE1 GLU A 84 -12.146 19.872 -0.500 1.00 0.00 O ATOM 1377 OE2 GLU A 84 -10.018 19.391 -0.770 1.00 0.00 O ATOM 0 H GLU A 84 -11.391 16.381 2.464 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.716 18.832 3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.234 17.925 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.740 19.550 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.303 18.514 1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.094 17.301 0.682 1.00 0.00 H new ATOM 1384 N LYS A 85 -14.449 17.007 3.432 1.00 0.00 N ATOM 1385 CA LYS A 85 -15.773 16.766 3.980 1.00 0.00 C ATOM 1386 C LYS A 85 -15.679 16.383 5.453 1.00 0.00 C ATOM 1387 O LYS A 85 -16.679 16.399 6.170 1.00 0.00 O ATOM 1388 CB LYS A 85 -16.484 15.657 3.199 1.00 0.00 C ATOM 1389 CG LYS A 85 -16.861 16.053 1.780 1.00 0.00 C ATOM 1390 CD LYS A 85 -17.133 17.544 1.670 1.00 0.00 C ATOM 1391 CE LYS A 85 -15.843 18.335 1.551 1.00 0.00 C ATOM 1392 NZ LYS A 85 -15.934 19.395 0.511 1.00 0.00 N ATOM 0 H LYS A 85 -14.199 16.409 2.644 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.351 17.686 3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.838 14.780 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.386 15.367 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.056 15.778 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.746 15.497 1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.762 17.738 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -17.688 17.880 2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.607 18.790 2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.024 17.658 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.033 19.911 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.134 18.960 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.699 20.056 0.755 1.00 0.00 H new ATOM 1406 N LEU A 86 -14.475 16.030 5.901 1.00 0.00 N ATOM 1407 CA LEU A 86 -14.275 15.633 7.284 1.00 0.00 C ATOM 1408 C LEU A 86 -13.950 16.818 8.173 1.00 0.00 C ATOM 1409 O LEU A 86 -14.715 17.154 9.076 1.00 0.00 O ATOM 1410 CB LEU A 86 -13.166 14.595 7.380 1.00 0.00 C ATOM 1411 CG LEU A 86 -13.658 13.227 7.806 1.00 0.00 C ATOM 1412 CD1 LEU A 86 -12.500 12.329 8.206 1.00 0.00 C ATOM 1413 CD2 LEU A 86 -14.654 13.385 8.941 1.00 0.00 C ATOM 0 H LEU A 86 -13.632 16.012 5.327 1.00 0.00 H new ATOM 0 HA LEU A 86 -15.211 15.200 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.673 14.510 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.415 14.941 8.091 1.00 0.00 H new ATOM 0 HG LEU A 86 -14.156 12.747 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.883 11.354 8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.824 12.208 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.961 12.780 9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.011 12.403 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.170 13.878 9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -15.497 13.988 8.604 1.00 0.00 H new ATOM 1425 N LYS A 87 -12.828 17.463 7.905 1.00 0.00 N ATOM 1426 CA LYS A 87 -12.437 18.622 8.677 1.00 0.00 C ATOM 1427 C LYS A 87 -13.513 19.682 8.535 1.00 0.00 C ATOM 1428 O LYS A 87 -13.630 20.588 9.360 1.00 0.00 O ATOM 1429 CB LYS A 87 -11.051 19.111 8.232 1.00 0.00 C ATOM 1430 CG LYS A 87 -11.016 20.521 7.670 1.00 0.00 C ATOM 1431 CD LYS A 87 -9.923 20.659 6.626 1.00 0.00 C ATOM 1432 CE LYS A 87 -8.984 21.811 6.945 1.00 0.00 C ATOM 1433 NZ LYS A 87 -8.772 22.698 5.768 1.00 0.00 N ATOM 0 H LYS A 87 -12.178 17.204 7.163 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.348 18.373 9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.374 19.059 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.666 18.426 7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.981 20.764 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.847 21.235 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.354 19.731 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.373 20.817 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.393 22.394 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.025 21.415 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.126 23.471 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.358 22.148 4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.684 23.096 5.465 1.00 0.00 H new ATOM 1447 N LYS A 88 -14.338 19.515 7.506 1.00 0.00 N ATOM 1448 CA LYS A 88 -15.451 20.405 7.281 1.00 0.00 C ATOM 1449 C LYS A 88 -16.587 19.939 8.164 1.00 0.00 C ATOM 1450 O LYS A 88 -17.402 20.725 8.648 1.00 0.00 O ATOM 1451 CB LYS A 88 -15.868 20.386 5.809 1.00 0.00 C ATOM 1452 CG LYS A 88 -14.862 21.041 4.875 1.00 0.00 C ATOM 1453 CD LYS A 88 -13.503 21.210 5.540 1.00 0.00 C ATOM 1454 CE LYS A 88 -12.495 21.858 4.604 1.00 0.00 C ATOM 1455 NZ LYS A 88 -13.158 22.608 3.503 1.00 0.00 N ATOM 0 H LYS A 88 -14.249 18.767 6.818 1.00 0.00 H new ATOM 0 HA LYS A 88 -15.175 21.431 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.019 19.352 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.828 20.893 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.754 20.436 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.237 22.015 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.610 21.819 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.130 20.237 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.857 22.536 5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.847 21.090 4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.449 23.170 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.608 21.937 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.881 23.241 3.900 1.00 0.00 H new ATOM 1469 N ALA A 89 -16.595 18.630 8.385 1.00 0.00 N ATOM 1470 CA ALA A 89 -17.586 17.994 9.235 1.00 0.00 C ATOM 1471 C ALA A 89 -17.137 18.039 10.691 1.00 0.00 C ATOM 1472 O ALA A 89 -17.923 17.772 11.600 1.00 0.00 O ATOM 1473 CB ALA A 89 -17.822 16.558 8.796 1.00 0.00 C ATOM 0 H ALA A 89 -15.917 17.985 7.981 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.525 18.539 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -18.567 16.097 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.180 16.546 7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.888 15.999 8.862 1.00 0.00 H new ATOM 1479 N ARG A 90 -15.872 18.406 10.911 1.00 0.00 N ATOM 1480 CA ARG A 90 -15.335 18.515 12.250 1.00 0.00 C ATOM 1481 C ARG A 90 -15.751 19.859 12.797 1.00 0.00 C ATOM 1482 O ARG A 90 -16.076 20.014 13.973 1.00 0.00 O ATOM 1483 CB ARG A 90 -13.805 18.384 12.220 1.00 0.00 C ATOM 1484 CG ARG A 90 -13.090 19.265 13.228 1.00 0.00 C ATOM 1485 CD ARG A 90 -11.879 18.565 13.822 1.00 0.00 C ATOM 1486 NE ARG A 90 -10.717 18.646 12.941 1.00 0.00 N ATOM 1487 CZ ARG A 90 -9.480 18.348 13.325 1.00 0.00 C ATOM 1488 NH1 ARG A 90 -9.250 17.940 14.565 1.00 0.00 N ATOM 1489 NH2 ARG A 90 -8.474 18.455 12.468 1.00 0.00 N ATOM 0 H ARG A 90 -15.207 18.631 10.171 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.717 17.717 12.887 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.536 17.344 12.406 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.449 18.631 11.220 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.776 20.190 12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.780 19.540 14.026 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.636 19.014 14.785 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.120 17.519 14.010 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.863 18.948 11.978 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.023 17.855 15.225 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.300 17.711 14.859 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.649 18.766 11.513 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.525 18.226 12.764 1.00 0.00 H new ATOM 1503 N GLU A 91 -15.760 20.819 11.893 1.00 0.00 N ATOM 1504 CA GLU A 91 -16.157 22.173 12.201 1.00 0.00 C ATOM 1505 C GLU A 91 -17.661 22.226 12.456 1.00 0.00 C ATOM 1506 O GLU A 91 -18.140 23.007 13.278 1.00 0.00 O ATOM 1507 CB GLU A 91 -15.786 23.071 11.028 1.00 0.00 C ATOM 1508 CG GLU A 91 -14.367 23.606 11.100 1.00 0.00 C ATOM 1509 CD GLU A 91 -14.311 25.065 11.510 1.00 0.00 C ATOM 1510 OE1 GLU A 91 -14.612 25.932 10.663 1.00 0.00 O ATOM 1511 OE2 GLU A 91 -13.965 25.340 12.678 1.00 0.00 O ATOM 0 H GLU A 91 -15.490 20.678 10.920 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.644 22.517 13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.909 22.512 10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.481 23.910 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.794 23.011 11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.889 23.488 10.128 1.00 0.00 H new ATOM 1518 N GLU A 92 -18.396 21.378 11.739 1.00 0.00 N ATOM 1519 CA GLU A 92 -19.847 21.309 11.874 1.00 0.00 C ATOM 1520 C GLU A 92 -20.258 20.283 12.929 1.00 0.00 C ATOM 1521 O GLU A 92 -20.874 20.630 13.937 1.00 0.00 O ATOM 1522 CB GLU A 92 -20.486 20.955 10.530 1.00 0.00 C ATOM 1523 CG GLU A 92 -21.168 22.131 9.851 1.00 0.00 C ATOM 1524 CD GLU A 92 -22.650 21.898 9.635 1.00 0.00 C ATOM 1525 OE1 GLU A 92 -23.359 21.623 10.626 1.00 0.00 O ATOM 1526 OE2 GLU A 92 -23.103 21.989 8.474 1.00 0.00 O ATOM 0 H GLU A 92 -18.007 20.727 11.056 1.00 0.00 H new ATOM 0 HA GLU A 92 -20.200 22.289 12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.718 20.558 9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -21.217 20.161 10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.029 23.026 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -20.689 22.319 8.890 1.00 0.00 H new ATOM 1533 N ALA A 93 -19.923 19.017 12.687 1.00 0.00 N ATOM 1534 CA ALA A 93 -20.269 17.944 13.615 1.00 0.00 C ATOM 1535 C ALA A 93 -19.912 18.322 15.050 1.00 0.00 C ATOM 1536 O ALA A 93 -20.501 17.808 16.001 1.00 0.00 O ATOM 1537 CB ALA A 93 -19.575 16.648 13.215 1.00 0.00 C ATOM 0 H ALA A 93 -19.414 18.710 11.858 1.00 0.00 H new ATOM 0 HA ALA A 93 -21.347 17.791 13.566 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -19.844 15.859 13.918 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -19.889 16.362 12.211 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -18.495 16.794 13.230 1.00 0.00 H new ATOM 1543 N MET A 94 -18.947 19.224 15.200 1.00 0.00 N ATOM 1544 CA MET A 94 -18.518 19.670 16.522 1.00 0.00 C ATOM 1545 C MET A 94 -19.688 20.266 17.297 1.00 0.00 C ATOM 1546 O MET A 94 -19.844 20.020 18.494 1.00 0.00 O ATOM 1547 CB MET A 94 -17.394 20.701 16.399 1.00 0.00 C ATOM 1548 CG MET A 94 -17.034 21.369 17.717 1.00 0.00 C ATOM 1549 SD MET A 94 -16.709 23.133 17.537 1.00 0.00 S ATOM 1550 CE MET A 94 -15.640 23.139 16.099 1.00 0.00 C ATOM 0 H MET A 94 -18.448 19.660 14.425 1.00 0.00 H new ATOM 0 HA MET A 94 -18.145 18.803 17.068 1.00 0.00 H new ATOM 0 HB2 MET A 94 -16.507 20.213 15.994 1.00 0.00 H new ATOM 0 HB3 MET A 94 -17.691 21.467 15.682 1.00 0.00 H new ATOM 0 HG2 MET A 94 -17.848 21.224 18.427 1.00 0.00 H new ATOM 0 HG3 MET A 94 -16.154 20.883 18.138 1.00 0.00 H new ATOM 0 HE1 MET A 94 -14.852 23.880 16.235 1.00 0.00 H new ATOM 0 HE2 MET A 94 -15.193 22.153 15.973 1.00 0.00 H new ATOM 0 HE3 MET A 94 -16.224 23.388 15.213 1.00 0.00 H new ATOM 1560 N THR A 95 -20.509 21.051 16.606 1.00 0.00 N ATOM 1561 CA THR A 95 -21.668 21.684 17.225 1.00 0.00 C ATOM 1562 C THR A 95 -22.289 22.717 16.290 1.00 0.00 C ATOM 1563 O THR A 95 -21.637 23.203 15.365 1.00 0.00 O ATOM 1564 CB THR A 95 -21.271 22.346 18.546 1.00 0.00 C ATOM 1565 OG1 THR A 95 -22.097 23.466 18.813 1.00 0.00 O ATOM 1566 CG2 THR A 95 -19.835 22.821 18.571 1.00 0.00 C ATOM 0 H THR A 95 -20.392 21.264 15.615 1.00 0.00 H new ATOM 0 HA THR A 95 -22.409 20.910 17.424 1.00 0.00 H new ATOM 0 HB THR A 95 -21.394 21.573 19.304 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.829 23.875 19.662 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.620 23.280 19.536 1.00 0.00 H new ATOM 0 HG22 THR A 95 -19.168 21.973 18.417 1.00 0.00 H new ATOM 0 HG23 THR A 95 -19.680 23.553 17.778 1.00 0.00 H new ATOM 1574 N ASP A 96 -23.553 23.048 16.535 1.00 0.00 N ATOM 1575 CA ASP A 96 -24.263 24.023 15.714 1.00 0.00 C ATOM 1576 C ASP A 96 -24.143 25.425 16.303 1.00 0.00 C ATOM 1577 O ASP A 96 -24.953 26.304 16.008 1.00 0.00 O ATOM 1578 CB ASP A 96 -25.737 23.635 15.586 1.00 0.00 C ATOM 1579 CG ASP A 96 -26.550 24.047 16.798 1.00 0.00 C ATOM 1580 OD1 ASP A 96 -26.640 23.247 17.753 1.00 0.00 O ATOM 1581 OD2 ASP A 96 -27.097 25.171 16.792 1.00 0.00 O ATOM 0 H ASP A 96 -24.107 22.655 17.296 1.00 0.00 H new ATOM 0 HA ASP A 96 -23.807 24.026 14.724 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -26.157 24.101 14.695 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -25.816 22.557 15.449 1.00 0.00 H new ATOM 1586 N LEU A 97 -23.129 25.628 17.136 1.00 0.00 N ATOM 1587 CA LEU A 97 -22.905 26.924 17.764 1.00 0.00 C ATOM 1588 C LEU A 97 -24.227 27.588 18.131 1.00 0.00 C ATOM 1589 O LEU A 97 -24.670 28.526 17.468 1.00 0.00 O ATOM 1590 CB LEU A 97 -22.106 27.835 16.831 1.00 0.00 C ATOM 1591 CG LEU A 97 -20.611 27.526 16.749 1.00 0.00 C ATOM 1592 CD1 LEU A 97 -20.182 27.354 15.300 1.00 0.00 C ATOM 1593 CD2 LEU A 97 -19.803 28.626 17.420 1.00 0.00 C ATOM 0 H LEU A 97 -22.449 24.912 17.392 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.335 26.762 18.679 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -22.531 27.767 15.830 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.231 28.866 17.161 1.00 0.00 H new ATOM 0 HG LEU A 97 -20.422 26.591 17.276 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.115 27.135 15.260 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -20.739 26.531 14.851 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.384 28.273 14.749 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -18.741 28.390 17.353 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -19.996 29.576 16.921 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -20.092 28.702 18.468 1.00 0.00 H new ATOM 1605 N PRO A 98 -24.876 27.102 19.200 1.00 0.00 N ATOM 1606 CA PRO A 98 -26.156 27.644 19.666 1.00 0.00 C ATOM 1607 C PRO A 98 -26.116 29.158 19.845 1.00 0.00 C ATOM 1608 O PRO A 98 -25.065 29.733 20.127 1.00 0.00 O ATOM 1609 CB PRO A 98 -26.364 26.952 21.014 1.00 0.00 C ATOM 1610 CG PRO A 98 -25.596 25.680 20.908 1.00 0.00 C ATOM 1611 CD PRO A 98 -24.408 25.984 20.037 1.00 0.00 C ATOM 0 HA PRO A 98 -26.958 27.465 18.950 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -25.999 27.568 21.836 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -27.421 26.762 21.203 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -25.280 25.332 21.891 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -26.208 24.890 20.472 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -23.536 26.263 20.629 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -24.121 25.123 19.434 1.00 0.00 H new ATOM 1619 N ALA A 99 -27.269 29.797 19.680 1.00 0.00 N ATOM 1620 CA ALA A 99 -27.370 31.245 19.823 1.00 0.00 C ATOM 1621 C ALA A 99 -28.813 31.710 19.666 1.00 0.00 C ATOM 1622 O ALA A 99 -29.326 32.467 20.490 1.00 0.00 O ATOM 1623 CB ALA A 99 -26.479 31.939 18.804 1.00 0.00 C ATOM 0 H ALA A 99 -28.148 29.335 19.447 1.00 0.00 H new ATOM 0 HA ALA A 99 -27.034 31.511 20.825 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -26.564 33.019 18.922 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -25.443 31.637 18.961 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -26.790 31.658 17.798 1.00 0.00 H new ATOM 1629 N GLY A 100 -29.461 31.250 18.602 1.00 0.00 N ATOM 1630 CA GLY A 100 -30.840 31.627 18.352 1.00 0.00 C ATOM 1631 C GLY A 100 -31.670 30.472 17.828 1.00 0.00 C ATOM 1632 O GLY A 100 -31.805 29.462 18.550 1.00 0.00 O ATOM 1633 OXT GLY A 100 -32.184 30.577 16.695 1.00 0.00 O ATOM 0 H GLY A 100 -29.056 30.622 17.907 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -31.284 32.001 19.274 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -30.865 32.445 17.632 1.00 0.00 H new TER 1637 GLY A 100