USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 641 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 38 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 40 ASN : amide:sc= -3.35! C(o=-4.6!,f=-4.5!) USER MOD Set 1.3: A 41 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 10 HIS : no HD1:sc= -6.22! C(o=-6.2!,f=-6.4!) USER MOD Single : A 16 SER OG : rot 34:sc= 0.888 USER MOD Single : A 22 SER OG : rot -160:sc= -0.419 USER MOD Single : A 24 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-5.9!) USER MOD Single : A 28 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 31 SER OG : rot 33:sc= 0.86 USER MOD Single : A 46 MET CE :methyl 145:sc= -3.09! (180deg=-4.59!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -3.45 X(o=-3.4,f=-3.9) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 9 -6.987 -7.693 -13.324 1.00 0.00 N ATOM 2 CA ARG A 9 -8.269 -7.675 -12.630 1.00 0.00 C ATOM 3 C ARG A 9 -8.124 -7.075 -11.233 1.00 0.00 C ATOM 4 O ARG A 9 -7.058 -7.148 -10.625 1.00 0.00 O ATOM 5 CB ARG A 9 -8.837 -9.093 -12.530 1.00 0.00 C ATOM 6 CG ARG A 9 -10.204 -9.158 -11.866 1.00 0.00 C ATOM 7 CD ARG A 9 -11.250 -8.402 -12.670 1.00 0.00 C ATOM 8 NE ARG A 9 -12.569 -8.452 -12.041 1.00 0.00 N ATOM 9 CZ ARG A 9 -13.286 -9.566 -11.905 1.00 0.00 C ATOM 10 NH1 ARG A 9 -12.841 -10.716 -12.395 1.00 0.00 N ATOM 11 NH2 ARG A 9 -14.460 -9.527 -11.288 1.00 0.00 N ATOM 0 HA ARG A 9 -8.956 -7.053 -13.204 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.909 -9.518 -13.531 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.140 -9.715 -11.969 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.508 -10.199 -11.759 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.142 -8.739 -10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.941 -7.363 -12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.311 -8.824 -13.673 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.964 -7.581 -11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.944 -10.751 -12.880 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.396 -11.565 -12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.813 -8.644 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.010 -10.380 -11.183 1.00 0.00 H new ATOM 25 N HIS A 10 -9.206 -6.487 -10.733 1.00 0.00 N ATOM 26 CA HIS A 10 -9.203 -5.877 -9.408 1.00 0.00 C ATOM 27 C HIS A 10 -9.633 -6.887 -8.349 1.00 0.00 C ATOM 28 O HIS A 10 -10.065 -7.993 -8.675 1.00 0.00 O ATOM 29 CB HIS A 10 -10.131 -4.662 -9.384 1.00 0.00 C ATOM 30 CG HIS A 10 -9.767 -3.614 -10.390 1.00 0.00 C ATOM 31 ND1 HIS A 10 -10.482 -2.445 -10.552 1.00 0.00 N ATOM 32 CD2 HIS A 10 -8.757 -3.563 -11.289 1.00 0.00 C ATOM 33 CE1 HIS A 10 -9.926 -1.721 -11.508 1.00 0.00 C ATOM 34 NE2 HIS A 10 -8.878 -2.376 -11.971 1.00 0.00 N ATOM 0 H HIS A 10 -10.097 -6.420 -11.226 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.188 -5.551 -9.182 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -11.154 -4.992 -9.568 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -10.113 -4.220 -8.388 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.997 -4.315 -11.442 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.271 -0.757 -11.852 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.258 -2.054 -12.714 1.00 0.00 H new ATOM 43 N GLU A 11 -9.515 -6.504 -7.081 1.00 0.00 N ATOM 44 CA GLU A 11 -9.897 -7.386 -5.983 1.00 0.00 C ATOM 45 C GLU A 11 -9.817 -6.668 -4.638 1.00 0.00 C ATOM 46 O GLU A 11 -10.649 -6.890 -3.758 1.00 0.00 O ATOM 47 CB GLU A 11 -9.003 -8.627 -5.965 1.00 0.00 C ATOM 48 CG GLU A 11 -9.352 -9.611 -4.860 1.00 0.00 C ATOM 49 CD GLU A 11 -8.455 -10.833 -4.861 1.00 0.00 C ATOM 50 OE1 GLU A 11 -8.435 -11.554 -5.880 1.00 0.00 O ATOM 51 OE2 GLU A 11 -7.772 -11.069 -3.842 1.00 0.00 O ATOM 0 H GLU A 11 -9.160 -5.593 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.931 -7.689 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.078 -9.133 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.965 -8.315 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.275 -9.110 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.389 -9.926 -4.974 1.00 0.00 H new ATOM 58 N LEU A 12 -8.814 -5.808 -4.479 1.00 0.00 N ATOM 59 CA LEU A 12 -8.641 -5.066 -3.232 1.00 0.00 C ATOM 60 C LEU A 12 -8.736 -3.562 -3.465 1.00 0.00 C ATOM 61 O LEU A 12 -8.238 -2.769 -2.665 1.00 0.00 O ATOM 62 CB LEU A 12 -7.299 -5.407 -2.570 1.00 0.00 C ATOM 63 CG LEU A 12 -6.049 -4.939 -3.322 1.00 0.00 C ATOM 64 CD1 LEU A 12 -4.808 -5.145 -2.466 1.00 0.00 C ATOM 65 CD2 LEU A 12 -5.904 -5.677 -4.644 1.00 0.00 C ATOM 0 H LEU A 12 -8.113 -5.608 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.448 -5.364 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.285 -4.969 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.241 -6.488 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.158 -3.875 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.928 -4.808 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.903 -4.572 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.703 -6.203 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.009 -5.328 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.820 -6.747 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.779 -5.486 -5.265 1.00 0.00 H new ATOM 77 N ILE A 13 -9.382 -3.172 -4.560 1.00 0.00 N ATOM 78 CA ILE A 13 -9.545 -1.759 -4.886 1.00 0.00 C ATOM 79 C ILE A 13 -10.843 -1.211 -4.298 1.00 0.00 C ATOM 80 O ILE A 13 -11.781 -1.963 -4.035 1.00 0.00 O ATOM 81 CB ILE A 13 -9.536 -1.528 -6.411 1.00 0.00 C ATOM 82 CG1 ILE A 13 -8.239 -2.064 -7.020 1.00 0.00 C ATOM 83 CG2 ILE A 13 -9.702 -0.048 -6.730 1.00 0.00 C ATOM 84 CD1 ILE A 13 -8.143 -1.864 -8.518 1.00 0.00 C ATOM 0 H ILE A 13 -9.800 -3.813 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.700 -1.229 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.376 -2.068 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.392 -1.572 -6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.156 -3.128 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.693 0.095 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.649 0.307 -6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.882 0.515 -6.283 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.197 -2.268 -8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.969 -2.380 -9.008 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.193 -0.800 -8.747 1.00 0.00 H new ATOM 96 N GLY A 14 -10.889 0.101 -4.095 1.00 0.00 N ATOM 97 CA GLY A 14 -12.076 0.724 -3.540 1.00 0.00 C ATOM 98 C GLY A 14 -11.965 0.961 -2.046 1.00 0.00 C ATOM 99 O GLY A 14 -12.606 1.861 -1.503 1.00 0.00 O ATOM 0 H GLY A 14 -10.126 0.744 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.252 1.675 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.941 0.092 -3.741 1.00 0.00 H new ATOM 103 N LEU A 15 -11.149 0.149 -1.378 1.00 0.00 N ATOM 104 CA LEU A 15 -10.957 0.275 0.063 1.00 0.00 C ATOM 105 C LEU A 15 -9.905 1.332 0.388 1.00 0.00 C ATOM 106 O LEU A 15 -9.164 1.773 -0.490 1.00 0.00 O ATOM 107 CB LEU A 15 -10.559 -1.077 0.669 1.00 0.00 C ATOM 108 CG LEU A 15 -9.354 -1.766 0.020 1.00 0.00 C ATOM 109 CD1 LEU A 15 -8.096 -0.925 0.178 1.00 0.00 C ATOM 110 CD2 LEU A 15 -9.148 -3.149 0.619 1.00 0.00 C ATOM 0 H LEU A 15 -10.611 -0.602 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.902 0.593 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.344 -0.931 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.415 -1.749 0.607 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.557 -1.874 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.255 -1.436 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.244 0.044 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.886 -0.779 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.288 -3.625 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.970 -3.059 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.038 -3.755 0.449 1.00 0.00 H new ATOM 122 N SER A 16 -9.849 1.737 1.653 1.00 0.00 N ATOM 123 CA SER A 16 -8.890 2.744 2.093 1.00 0.00 C ATOM 124 C SER A 16 -7.615 2.094 2.623 1.00 0.00 C ATOM 125 O SER A 16 -7.617 0.929 3.021 1.00 0.00 O ATOM 126 CB SER A 16 -9.511 3.630 3.175 1.00 0.00 C ATOM 127 OG SER A 16 -8.594 4.617 3.614 1.00 0.00 O ATOM 0 H SER A 16 -10.457 1.383 2.392 1.00 0.00 H new ATOM 0 HA SER A 16 -8.629 3.359 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.408 4.111 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.820 3.015 4.020 1.00 0.00 H new ATOM 0 HG SER A 16 -8.033 4.900 2.862 1.00 0.00 H new ATOM 133 N VAL A 17 -6.527 2.858 2.625 1.00 0.00 N ATOM 134 CA VAL A 17 -5.243 2.366 3.107 1.00 0.00 C ATOM 135 C VAL A 17 -4.711 3.244 4.234 1.00 0.00 C ATOM 136 O VAL A 17 -5.118 4.398 4.377 1.00 0.00 O ATOM 137 CB VAL A 17 -4.203 2.318 1.970 1.00 0.00 C ATOM 138 CG1 VAL A 17 -2.902 1.698 2.458 1.00 0.00 C ATOM 139 CG2 VAL A 17 -4.753 1.553 0.775 1.00 0.00 C ATOM 0 H VAL A 17 -6.510 3.824 2.297 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.406 1.356 3.484 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.993 3.339 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.182 1.673 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.500 2.293 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.091 0.682 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.005 1.530 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.995 0.534 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.653 2.047 0.410 1.00 0.00 H new ATOM 149 N ARG A 18 -3.805 2.694 5.038 1.00 0.00 N ATOM 150 CA ARG A 18 -3.227 3.436 6.154 1.00 0.00 C ATOM 151 C ARG A 18 -1.763 3.051 6.359 1.00 0.00 C ATOM 152 O ARG A 18 -1.449 1.895 6.642 1.00 0.00 O ATOM 153 CB ARG A 18 -4.032 3.168 7.430 1.00 0.00 C ATOM 154 CG ARG A 18 -3.724 4.114 8.585 1.00 0.00 C ATOM 155 CD ARG A 18 -2.327 3.900 9.148 1.00 0.00 C ATOM 156 NE ARG A 18 -2.100 4.679 10.365 1.00 0.00 N ATOM 157 CZ ARG A 18 -2.751 4.475 11.509 1.00 0.00 C ATOM 158 NH1 ARG A 18 -3.636 3.491 11.614 1.00 0.00 N ATOM 159 NH2 ARG A 18 -2.505 5.250 12.556 1.00 0.00 N ATOM 0 H ARG A 18 -3.456 1.741 4.938 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.269 4.501 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.094 3.236 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.843 2.145 7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.822 5.145 8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.459 3.969 9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.181 2.841 9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.587 4.177 8.397 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.402 5.422 10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.822 2.885 10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.130 3.341 12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.818 6.001 12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.002 5.095 13.433 1.00 0.00 H new ATOM 173 N ILE A 19 -0.874 4.030 6.217 1.00 0.00 N ATOM 174 CA ILE A 19 0.556 3.798 6.389 1.00 0.00 C ATOM 175 C ILE A 19 0.957 3.948 7.856 1.00 0.00 C ATOM 176 O ILE A 19 0.514 4.871 8.539 1.00 0.00 O ATOM 177 CB ILE A 19 1.389 4.779 5.537 1.00 0.00 C ATOM 178 CG1 ILE A 19 0.991 4.673 4.064 1.00 0.00 C ATOM 179 CG2 ILE A 19 2.877 4.505 5.707 1.00 0.00 C ATOM 180 CD1 ILE A 19 1.201 3.285 3.479 1.00 0.00 C ATOM 0 H ILE A 19 -1.119 4.992 5.983 1.00 0.00 H new ATOM 0 HA ILE A 19 0.759 2.780 6.058 1.00 0.00 H new ATOM 0 HB ILE A 19 1.186 5.793 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.058 4.949 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.570 5.394 3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.448 5.206 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.152 4.626 6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.098 3.486 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.898 3.282 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.254 3.014 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.601 2.562 4.032 1.00 0.00 H new ATOM 192 N ALA A 20 1.791 3.030 8.337 1.00 0.00 N ATOM 193 CA ALA A 20 2.243 3.064 9.724 1.00 0.00 C ATOM 194 C ALA A 20 3.737 3.339 9.821 1.00 0.00 C ATOM 195 O ALA A 20 4.207 3.945 10.784 1.00 0.00 O ATOM 196 CB ALA A 20 1.898 1.756 10.422 1.00 0.00 C ATOM 0 H ALA A 20 2.166 2.256 7.789 1.00 0.00 H new ATOM 0 HA ALA A 20 1.724 3.882 10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.241 1.794 11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.818 1.607 10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.388 0.929 9.908 1.00 0.00 H new ATOM 202 N ARG A 21 4.478 2.891 8.819 1.00 0.00 N ATOM 203 CA ARG A 21 5.920 3.086 8.780 1.00 0.00 C ATOM 204 C ARG A 21 6.441 2.993 7.350 1.00 0.00 C ATOM 205 O ARG A 21 6.100 2.068 6.616 1.00 0.00 O ATOM 206 CB ARG A 21 6.625 2.048 9.659 1.00 0.00 C ATOM 207 CG ARG A 21 6.192 2.080 11.117 1.00 0.00 C ATOM 208 CD ARG A 21 6.950 1.053 11.946 1.00 0.00 C ATOM 209 NE ARG A 21 6.540 1.067 13.349 1.00 0.00 N ATOM 210 CZ ARG A 21 6.753 2.086 14.179 1.00 0.00 C ATOM 211 NH1 ARG A 21 7.413 3.160 13.768 1.00 0.00 N ATOM 212 NH2 ARG A 21 6.314 2.024 15.428 1.00 0.00 N ATOM 0 H ARG A 21 4.101 2.386 8.017 1.00 0.00 H new ATOM 0 HA ARG A 21 6.136 4.083 9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.434 1.054 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.701 2.212 9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.361 3.076 11.526 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.122 1.885 11.184 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.784 0.059 11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.020 1.252 11.879 1.00 0.00 H new ATOM 0 HE ARG A 21 6.061 0.244 13.715 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.761 3.209 12.811 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.573 3.937 14.409 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.814 1.196 15.752 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.476 2.804 16.065 1.00 0.00 H new ATOM 226 N SER A 22 7.268 3.960 6.959 1.00 0.00 N ATOM 227 CA SER A 22 7.829 3.984 5.612 1.00 0.00 C ATOM 228 C SER A 22 9.301 4.390 5.633 1.00 0.00 C ATOM 229 O SER A 22 9.796 4.924 6.625 1.00 0.00 O ATOM 230 CB SER A 22 7.036 4.944 4.724 1.00 0.00 C ATOM 231 OG SER A 22 5.679 4.548 4.630 1.00 0.00 O ATOM 0 H SER A 22 7.563 4.734 7.554 1.00 0.00 H new ATOM 0 HA SER A 22 7.759 2.976 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.096 5.954 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.479 4.974 3.729 1.00 0.00 H new ATOM 0 HG SER A 22 5.272 4.959 3.839 1.00 0.00 H new ATOM 237 N VAL A 23 9.994 4.131 4.525 1.00 0.00 N ATOM 238 CA VAL A 23 11.408 4.468 4.409 1.00 0.00 C ATOM 239 C VAL A 23 11.632 5.974 4.526 1.00 0.00 C ATOM 240 O VAL A 23 12.661 6.420 5.031 1.00 0.00 O ATOM 241 CB VAL A 23 11.992 3.956 3.075 1.00 0.00 C ATOM 242 CG1 VAL A 23 11.189 4.486 1.896 1.00 0.00 C ATOM 243 CG2 VAL A 23 13.463 4.338 2.947 1.00 0.00 C ATOM 0 H VAL A 23 9.597 3.689 3.696 1.00 0.00 H new ATOM 0 HA VAL A 23 11.925 3.976 5.232 1.00 0.00 H new ATOM 0 HB VAL A 23 11.924 2.868 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 23 11.618 4.113 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.155 4.150 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.217 5.576 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.854 3.967 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.561 5.423 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 23 14.026 3.897 3.769 1.00 0.00 H new ATOM 253 N HIS A 24 10.655 6.753 4.068 1.00 0.00 N ATOM 254 CA HIS A 24 10.742 8.209 4.133 1.00 0.00 C ATOM 255 C HIS A 24 9.592 8.782 4.954 1.00 0.00 C ATOM 256 O HIS A 24 8.446 8.350 4.827 1.00 0.00 O ATOM 257 CB HIS A 24 10.739 8.818 2.729 1.00 0.00 C ATOM 258 CG HIS A 24 12.044 8.677 2.007 1.00 0.00 C ATOM 259 ND1 HIS A 24 12.665 7.466 1.797 1.00 0.00 N ATOM 260 CD2 HIS A 24 12.845 9.611 1.440 1.00 0.00 C ATOM 261 CE1 HIS A 24 13.791 7.658 1.132 1.00 0.00 C ATOM 262 NE2 HIS A 24 13.924 8.951 0.903 1.00 0.00 N ATOM 0 H HIS A 24 9.795 6.400 3.648 1.00 0.00 H new ATOM 0 HA HIS A 24 11.682 8.467 4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 24 9.955 8.344 2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 24 10.487 9.876 2.802 1.00 0.00 H new ATOM 0 HD2 HIS A 24 12.668 10.676 1.415 1.00 0.00 H new ATOM 0 HE1 HIS A 24 14.484 6.888 0.828 1.00 0.00 H new ATOM 0 HE2 HIS A 24 14.701 9.389 0.408 1.00 0.00 H new ATOM 271 N ARG A 25 9.911 9.753 5.801 1.00 0.00 N ATOM 272 CA ARG A 25 8.914 10.387 6.657 1.00 0.00 C ATOM 273 C ARG A 25 7.891 11.177 5.841 1.00 0.00 C ATOM 274 O ARG A 25 6.829 11.536 6.350 1.00 0.00 O ATOM 275 CB ARG A 25 9.601 11.306 7.667 1.00 0.00 C ATOM 276 CG ARG A 25 10.611 10.589 8.547 1.00 0.00 C ATOM 277 CD ARG A 25 11.300 11.545 9.506 1.00 0.00 C ATOM 278 NE ARG A 25 12.289 10.864 10.338 1.00 0.00 N ATOM 279 CZ ARG A 25 13.040 11.479 11.250 1.00 0.00 C ATOM 280 NH1 ARG A 25 12.918 12.785 11.451 1.00 0.00 N ATOM 281 NH2 ARG A 25 13.916 10.783 11.962 1.00 0.00 N ATOM 0 H ARG A 25 10.856 10.120 5.914 1.00 0.00 H new ATOM 0 HA ARG A 25 8.379 9.599 7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.104 12.111 7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.844 11.769 8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.108 9.805 9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.358 10.101 7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.787 12.339 8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.554 12.020 10.144 1.00 0.00 H new ATOM 0 HE ARG A 25 12.412 9.859 10.213 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.246 13.324 10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.496 13.249 12.151 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.013 9.779 11.811 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.492 11.252 12.661 1.00 0.00 H new ATOM 295 N ASP A 26 8.213 11.451 4.580 1.00 0.00 N ATOM 296 CA ASP A 26 7.311 12.203 3.715 1.00 0.00 C ATOM 297 C ASP A 26 6.031 11.417 3.427 1.00 0.00 C ATOM 298 O ASP A 26 5.041 11.982 2.963 1.00 0.00 O ATOM 299 CB ASP A 26 8.006 12.582 2.404 1.00 0.00 C ATOM 300 CG ASP A 26 8.441 11.373 1.600 1.00 0.00 C ATOM 301 OD1 ASP A 26 7.569 10.558 1.236 1.00 0.00 O ATOM 302 OD2 ASP A 26 9.653 11.246 1.328 1.00 0.00 O ATOM 0 H ASP A 26 9.086 11.165 4.137 1.00 0.00 H new ATOM 0 HA ASP A 26 7.036 13.117 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.330 13.189 1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.877 13.199 2.625 1.00 0.00 H new ATOM 307 N ILE A 27 6.047 10.117 3.718 1.00 0.00 N ATOM 308 CA ILE A 27 4.882 9.274 3.504 1.00 0.00 C ATOM 309 C ILE A 27 4.629 8.357 4.699 1.00 0.00 C ATOM 310 O ILE A 27 3.835 7.419 4.614 1.00 0.00 O ATOM 311 CB ILE A 27 4.999 8.409 2.225 1.00 0.00 C ATOM 312 CG1 ILE A 27 6.154 7.397 2.338 1.00 0.00 C ATOM 313 CG2 ILE A 27 5.168 9.298 0.996 1.00 0.00 C ATOM 314 CD1 ILE A 27 7.533 7.986 2.105 1.00 0.00 C ATOM 0 H ILE A 27 6.856 9.629 4.102 1.00 0.00 H new ATOM 0 HA ILE A 27 4.042 9.958 3.382 1.00 0.00 H new ATOM 0 HB ILE A 27 4.076 7.840 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.129 6.945 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.989 6.595 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.249 8.675 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.304 9.956 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.072 9.898 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.285 7.203 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.582 8.412 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.724 8.767 2.841 1.00 0.00 H new ATOM 326 N GLN A 28 5.311 8.625 5.811 1.00 0.00 N ATOM 327 CA GLN A 28 5.162 7.819 7.011 1.00 0.00 C ATOM 328 C GLN A 28 4.006 8.317 7.879 1.00 0.00 C ATOM 329 O GLN A 28 3.991 9.471 8.307 1.00 0.00 O ATOM 330 CB GLN A 28 6.459 7.825 7.820 1.00 0.00 C ATOM 331 CG GLN A 28 6.383 7.007 9.100 1.00 0.00 C ATOM 332 CD GLN A 28 7.682 7.026 9.883 1.00 0.00 C ATOM 333 OE1 GLN A 28 8.155 8.085 10.296 1.00 0.00 O ATOM 334 NE2 GLN A 28 8.264 5.851 10.091 1.00 0.00 N ATOM 0 H GLN A 28 5.972 9.396 5.901 1.00 0.00 H new ATOM 0 HA GLN A 28 4.937 6.799 6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.266 7.438 7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.716 8.854 8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.580 7.394 9.727 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.127 5.977 8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.836 4.999 9.730 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.139 5.801 10.612 1.00 0.00 H new ATOM 343 N GLY A 29 3.047 7.435 8.142 1.00 0.00 N ATOM 344 CA GLY A 29 1.908 7.797 8.966 1.00 0.00 C ATOM 345 C GLY A 29 0.823 8.524 8.193 1.00 0.00 C ATOM 346 O GLY A 29 -0.079 9.113 8.790 1.00 0.00 O ATOM 0 H GLY A 29 3.038 6.475 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.487 6.895 9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.247 8.429 9.787 1.00 0.00 H new ATOM 350 N ILE A 30 0.905 8.486 6.867 1.00 0.00 N ATOM 351 CA ILE A 30 -0.079 9.145 6.026 1.00 0.00 C ATOM 352 C ILE A 30 -1.113 8.149 5.511 1.00 0.00 C ATOM 353 O ILE A 30 -0.770 7.168 4.849 1.00 0.00 O ATOM 354 CB ILE A 30 0.584 9.865 4.827 1.00 0.00 C ATOM 355 CG1 ILE A 30 1.489 11.002 5.314 1.00 0.00 C ATOM 356 CG2 ILE A 30 -0.472 10.409 3.873 1.00 0.00 C ATOM 357 CD1 ILE A 30 2.633 10.539 6.198 1.00 0.00 C ATOM 0 H ILE A 30 1.644 8.005 6.355 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.576 9.891 6.646 1.00 0.00 H new ATOM 0 HB ILE A 30 1.194 9.137 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.899 11.524 4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.886 11.724 5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.016 10.911 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.080 9.587 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.108 11.119 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.229 11.400 6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.232 10.044 7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.261 9.841 5.645 1.00 0.00 H new ATOM 369 N SER A 31 -2.381 8.411 5.813 1.00 0.00 N ATOM 370 CA SER A 31 -3.467 7.543 5.376 1.00 0.00 C ATOM 371 C SER A 31 -4.037 8.034 4.050 1.00 0.00 C ATOM 372 O SER A 31 -4.043 9.234 3.777 1.00 0.00 O ATOM 373 CB SER A 31 -4.568 7.492 6.436 1.00 0.00 C ATOM 374 OG SER A 31 -5.636 6.656 6.023 1.00 0.00 O ATOM 0 H SER A 31 -2.681 9.219 6.359 1.00 0.00 H new ATOM 0 HA SER A 31 -3.071 6.537 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.156 7.123 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.942 8.498 6.625 1.00 0.00 H new ATOM 0 HG SER A 31 -5.285 5.922 5.477 1.00 0.00 H new ATOM 380 N GLY A 32 -4.506 7.103 3.226 1.00 0.00 N ATOM 381 CA GLY A 32 -5.062 7.477 1.939 1.00 0.00 C ATOM 382 C GLY A 32 -5.983 6.420 1.363 1.00 0.00 C ATOM 383 O GLY A 32 -6.470 5.548 2.080 1.00 0.00 O ATOM 0 H GLY A 32 -4.511 6.103 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.612 8.412 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.248 7.663 1.238 1.00 0.00 H new ATOM 387 N ARG A 33 -6.221 6.510 0.059 1.00 0.00 N ATOM 388 CA ARG A 33 -7.090 5.571 -0.640 1.00 0.00 C ATOM 389 C ARG A 33 -6.274 4.727 -1.631 1.00 0.00 C ATOM 390 O ARG A 33 -5.078 4.931 -1.786 1.00 0.00 O ATOM 391 CB ARG A 33 -8.280 6.287 -1.267 1.00 0.00 C ATOM 392 CG ARG A 33 -9.467 5.369 -1.533 1.00 0.00 C ATOM 393 CD ARG A 33 -10.785 6.055 -1.208 1.00 0.00 C ATOM 394 NE ARG A 33 -10.900 6.375 0.213 1.00 0.00 N ATOM 395 CZ ARG A 33 -11.954 6.984 0.753 1.00 0.00 C ATOM 396 NH1 ARG A 33 -12.984 7.342 -0.006 1.00 0.00 N ATOM 397 NH2 ARG A 33 -11.978 7.239 2.053 1.00 0.00 N ATOM 0 H ARG A 33 -5.820 7.231 -0.540 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.520 4.870 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.596 7.096 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.966 6.744 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.464 5.062 -2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.369 4.463 -0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.871 6.970 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.612 5.409 -1.502 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.128 6.117 0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.970 7.151 -1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.789 7.808 0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.189 6.969 2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.785 7.705 2.466 1.00 0.00 H new ATOM 411 N VAL A 34 -6.889 3.714 -2.215 1.00 0.00 N ATOM 412 CA VAL A 34 -6.166 2.786 -3.096 1.00 0.00 C ATOM 413 C VAL A 34 -6.387 3.012 -4.587 1.00 0.00 C ATOM 414 O VAL A 34 -7.439 3.475 -5.001 1.00 0.00 O ATOM 415 CB VAL A 34 -6.537 1.328 -2.761 1.00 0.00 C ATOM 416 CG1 VAL A 34 -8.005 1.060 -3.058 1.00 0.00 C ATOM 417 CG2 VAL A 34 -5.644 0.356 -3.521 1.00 0.00 C ATOM 0 H VAL A 34 -7.881 3.505 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.112 2.986 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.376 1.174 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.243 0.025 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.625 1.726 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.200 1.237 -4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.923 -0.667 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.765 0.512 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.603 0.526 -3.245 1.00 0.00 H new ATOM 427 N VAL A 35 -5.389 2.622 -5.390 1.00 0.00 N ATOM 428 CA VAL A 35 -5.493 2.697 -6.847 1.00 0.00 C ATOM 429 C VAL A 35 -4.904 1.440 -7.488 1.00 0.00 C ATOM 430 O VAL A 35 -5.524 0.825 -8.355 1.00 0.00 O ATOM 431 CB VAL A 35 -4.836 3.950 -7.469 1.00 0.00 C ATOM 432 CG1 VAL A 35 -3.339 3.899 -7.388 1.00 0.00 C ATOM 433 CG2 VAL A 35 -5.286 4.121 -8.913 1.00 0.00 C ATOM 0 H VAL A 35 -4.501 2.251 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.560 2.773 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.163 4.813 -6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.919 4.799 -7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.033 3.838 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.975 3.023 -7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.815 5.007 -9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.996 3.244 -9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.370 4.235 -8.945 1.00 0.00 H new ATOM 443 N ASP A 36 -3.692 1.063 -7.053 1.00 0.00 N ATOM 444 CA ASP A 36 -3.021 -0.114 -7.586 1.00 0.00 C ATOM 445 C ASP A 36 -1.939 -0.610 -6.625 1.00 0.00 C ATOM 446 O ASP A 36 -1.538 0.107 -5.707 1.00 0.00 O ATOM 447 CB ASP A 36 -2.408 0.205 -8.953 1.00 0.00 C ATOM 448 CG ASP A 36 -1.727 -0.993 -9.584 1.00 0.00 C ATOM 449 OD1 ASP A 36 -2.412 -2.010 -9.822 1.00 0.00 O ATOM 450 OD2 ASP A 36 -0.506 -0.914 -9.844 1.00 0.00 O ATOM 0 H ASP A 36 -3.164 1.560 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.761 -0.906 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.189 0.567 -9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.684 1.012 -8.842 1.00 0.00 H new ATOM 455 N GLU A 37 -1.460 -1.829 -6.852 1.00 0.00 N ATOM 456 CA GLU A 37 -0.412 -2.410 -6.019 1.00 0.00 C ATOM 457 C GLU A 37 0.753 -2.882 -6.886 1.00 0.00 C ATOM 458 O GLU A 37 0.553 -3.603 -7.862 1.00 0.00 O ATOM 459 CB GLU A 37 -0.965 -3.580 -5.203 1.00 0.00 C ATOM 460 CG GLU A 37 0.067 -4.231 -4.296 1.00 0.00 C ATOM 461 CD GLU A 37 -0.504 -5.381 -3.491 1.00 0.00 C ATOM 462 OE1 GLU A 37 -0.987 -6.354 -4.105 1.00 0.00 O ATOM 463 OE2 GLU A 37 -0.468 -5.308 -2.244 1.00 0.00 O ATOM 0 H GLU A 37 -1.781 -2.435 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.053 -1.643 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.799 -3.227 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.363 -4.332 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.899 -4.594 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.471 -3.482 -3.615 1.00 0.00 H new ATOM 470 N THR A 38 1.968 -2.463 -6.536 1.00 0.00 N ATOM 471 CA THR A 38 3.150 -2.843 -7.300 1.00 0.00 C ATOM 472 C THR A 38 4.127 -3.638 -6.437 1.00 0.00 C ATOM 473 O THR A 38 4.212 -3.431 -5.227 1.00 0.00 O ATOM 474 CB THR A 38 3.830 -1.594 -7.861 1.00 0.00 C ATOM 475 OG1 THR A 38 2.897 -0.785 -8.553 1.00 0.00 O ATOM 476 CG2 THR A 38 4.955 -1.906 -8.821 1.00 0.00 C ATOM 0 H THR A 38 2.157 -1.864 -5.733 1.00 0.00 H new ATOM 0 HA THR A 38 2.837 -3.480 -8.127 1.00 0.00 H new ATOM 0 HB THR A 38 4.242 -1.077 -6.994 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.350 0.010 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.394 -0.976 -9.182 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.718 -2.493 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.566 -2.475 -9.665 1.00 0.00 H new ATOM 484 N ARG A 39 4.855 -4.556 -7.067 1.00 0.00 N ATOM 485 CA ARG A 39 5.818 -5.400 -6.361 1.00 0.00 C ATOM 486 C ARG A 39 6.795 -4.578 -5.519 1.00 0.00 C ATOM 487 O ARG A 39 7.399 -5.101 -4.583 1.00 0.00 O ATOM 488 CB ARG A 39 6.596 -6.279 -7.344 1.00 0.00 C ATOM 489 CG ARG A 39 7.591 -5.520 -8.207 1.00 0.00 C ATOM 490 CD ARG A 39 6.899 -4.651 -9.245 1.00 0.00 C ATOM 491 NE ARG A 39 6.024 -5.432 -10.116 1.00 0.00 N ATOM 492 CZ ARG A 39 5.337 -4.916 -11.133 1.00 0.00 C ATOM 493 NH1 ARG A 39 5.432 -3.624 -11.419 1.00 0.00 N ATOM 494 NH2 ARG A 39 4.558 -5.697 -11.870 1.00 0.00 N ATOM 0 H ARG A 39 4.797 -4.736 -8.069 1.00 0.00 H new ATOM 0 HA ARG A 39 5.244 -6.035 -5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.130 -7.046 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.887 -6.793 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.219 -4.895 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.250 -6.229 -8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.315 -3.880 -8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.649 -4.140 -9.848 1.00 0.00 H new ATOM 0 HE ARG A 39 5.934 -6.432 -9.934 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.034 -3.020 -10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.903 -3.234 -12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.486 -6.692 -11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.031 -5.303 -12.649 1.00 0.00 H new ATOM 508 N ASN A 40 6.961 -3.301 -5.851 1.00 0.00 N ATOM 509 CA ASN A 40 7.884 -2.448 -5.104 1.00 0.00 C ATOM 510 C ASN A 40 7.321 -1.053 -4.847 1.00 0.00 C ATOM 511 O ASN A 40 8.061 -0.148 -4.459 1.00 0.00 O ATOM 512 CB ASN A 40 9.231 -2.346 -5.833 1.00 0.00 C ATOM 513 CG ASN A 40 9.158 -1.714 -7.222 1.00 0.00 C ATOM 514 OD1 ASN A 40 10.171 -1.629 -7.916 1.00 0.00 O ATOM 515 ND2 ASN A 40 7.977 -1.258 -7.642 1.00 0.00 N ATOM 0 H ASN A 40 6.477 -2.838 -6.620 1.00 0.00 H new ATOM 0 HA ASN A 40 8.030 -2.920 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.918 -1.763 -5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.656 -3.346 -5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.896 -0.824 -8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.155 -1.343 -7.044 1.00 0.00 H new ATOM 522 N THR A 41 6.019 -0.869 -5.056 1.00 0.00 N ATOM 523 CA THR A 41 5.408 0.435 -4.829 1.00 0.00 C ATOM 524 C THR A 41 3.908 0.339 -4.602 1.00 0.00 C ATOM 525 O THR A 41 3.235 -0.546 -5.132 1.00 0.00 O ATOM 526 CB THR A 41 5.697 1.379 -5.995 1.00 0.00 C ATOM 527 OG1 THR A 41 5.492 0.732 -7.238 1.00 0.00 O ATOM 528 CG2 THR A 41 7.104 1.928 -5.978 1.00 0.00 C ATOM 0 H THR A 41 5.377 -1.594 -5.377 1.00 0.00 H new ATOM 0 HA THR A 41 5.855 0.836 -3.920 1.00 0.00 H new ATOM 0 HB THR A 41 5.000 2.208 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.682 1.358 -7.968 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.246 2.591 -6.831 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.266 2.485 -5.055 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.816 1.105 -6.035 1.00 0.00 H new ATOM 536 N LEU A 42 3.395 1.278 -3.819 1.00 0.00 N ATOM 537 CA LEU A 42 1.972 1.342 -3.519 1.00 0.00 C ATOM 538 C LEU A 42 1.328 2.484 -4.281 1.00 0.00 C ATOM 539 O LEU A 42 1.786 3.625 -4.210 1.00 0.00 O ATOM 540 CB LEU A 42 1.725 1.541 -2.022 1.00 0.00 C ATOM 541 CG LEU A 42 1.769 0.274 -1.167 1.00 0.00 C ATOM 542 CD1 LEU A 42 1.449 0.606 0.288 1.00 0.00 C ATOM 543 CD2 LEU A 42 0.795 -0.768 -1.704 1.00 0.00 C ATOM 0 H LEU A 42 3.949 2.012 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 42 1.530 0.394 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.468 2.241 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.750 2.010 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 42 2.775 -0.142 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.484 -0.305 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.182 1.318 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.452 1.043 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.840 -1.663 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.217 -0.364 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.064 -1.024 -2.729 1.00 0.00 H new ATOM 555 N ARG A 43 0.258 2.184 -4.997 1.00 0.00 N ATOM 556 CA ARG A 43 -0.446 3.198 -5.748 1.00 0.00 C ATOM 557 C ARG A 43 -1.728 3.549 -4.992 1.00 0.00 C ATOM 558 O ARG A 43 -2.464 2.661 -4.558 1.00 0.00 O ATOM 559 CB ARG A 43 -0.706 2.683 -7.168 1.00 0.00 C ATOM 560 CG ARG A 43 -0.511 3.739 -8.249 1.00 0.00 C ATOM 561 CD ARG A 43 -0.786 3.174 -9.635 1.00 0.00 C ATOM 562 NE ARG A 43 -0.617 4.180 -10.680 1.00 0.00 N ATOM 563 CZ ARG A 43 -0.800 3.940 -11.977 1.00 0.00 C ATOM 564 NH1 ARG A 43 -1.152 2.730 -12.391 1.00 0.00 N ATOM 565 NH2 ARG A 43 -0.629 4.912 -12.861 1.00 0.00 N ATOM 0 H ARG A 43 -0.138 1.247 -5.071 1.00 0.00 H new ATOM 0 HA ARG A 43 0.142 4.110 -5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.040 1.844 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.725 2.301 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.176 4.582 -8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.509 4.121 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.114 2.337 -9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.802 2.781 -9.671 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.343 5.122 -10.400 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.284 1.978 -11.715 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.291 2.552 -13.386 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.357 5.844 -12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.769 4.728 -13.854 1.00 0.00 H new ATOM 579 N ILE A 44 -1.958 4.845 -4.782 1.00 0.00 N ATOM 580 CA ILE A 44 -3.111 5.317 -4.006 1.00 0.00 C ATOM 581 C ILE A 44 -4.128 6.122 -4.820 1.00 0.00 C ATOM 582 O ILE A 44 -3.804 7.169 -5.369 1.00 0.00 O ATOM 583 CB ILE A 44 -2.607 6.206 -2.833 1.00 0.00 C ATOM 584 CG1 ILE A 44 -1.797 5.366 -1.844 1.00 0.00 C ATOM 585 CG2 ILE A 44 -3.744 6.933 -2.117 1.00 0.00 C ATOM 586 CD1 ILE A 44 -1.254 6.161 -0.677 1.00 0.00 C ATOM 0 H ILE A 44 -1.361 5.591 -5.139 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.625 4.423 -3.653 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.965 6.974 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.426 4.561 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.966 4.899 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.336 7.539 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.267 7.577 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.442 6.203 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.691 5.501 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.599 6.949 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.081 6.607 -0.124 1.00 0.00 H new ATOM 598 N GLU A 45 -5.387 5.672 -4.817 1.00 0.00 N ATOM 599 CA GLU A 45 -6.455 6.410 -5.474 1.00 0.00 C ATOM 600 C GLU A 45 -7.633 6.540 -4.527 1.00 0.00 C ATOM 601 O GLU A 45 -7.965 5.589 -3.774 1.00 0.00 O ATOM 602 CB GLU A 45 -6.923 5.784 -6.794 1.00 0.00 C ATOM 603 CG GLU A 45 -8.224 6.372 -7.326 1.00 0.00 C ATOM 604 CD GLU A 45 -8.675 5.726 -8.622 1.00 0.00 C ATOM 605 OE1 GLU A 45 -7.974 4.814 -9.108 1.00 0.00 O ATOM 606 OE2 GLU A 45 -9.731 6.132 -9.151 1.00 0.00 O ATOM 0 H GLU A 45 -5.684 4.805 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.045 7.388 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.143 5.914 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.052 4.711 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.005 6.253 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.095 7.443 -7.485 1.00 0.00 H new ATOM 613 N MET A 46 -8.238 7.731 -4.586 1.00 0.00 N ATOM 614 CA MET A 46 -9.389 8.094 -3.775 1.00 0.00 C ATOM 615 C MET A 46 -10.631 8.220 -4.653 1.00 0.00 C ATOM 616 O MET A 46 -10.613 8.929 -5.663 1.00 0.00 O ATOM 617 CB MET A 46 -9.130 9.431 -3.064 1.00 0.00 C ATOM 618 CG MET A 46 -8.092 9.375 -1.945 1.00 0.00 C ATOM 619 SD MET A 46 -6.478 8.766 -2.472 1.00 0.00 S ATOM 620 CE MET A 46 -5.874 10.152 -3.427 1.00 0.00 C ATOM 0 H MET A 46 -7.931 8.477 -5.211 1.00 0.00 H new ATOM 0 HA MET A 46 -9.551 7.314 -3.031 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.805 10.162 -3.804 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.071 9.793 -2.649 1.00 0.00 H new ATOM 0 HG2 MET A 46 -7.973 10.373 -1.524 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.468 8.735 -1.147 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.796 10.241 -3.297 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.100 9.993 -4.481 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.358 11.067 -3.086 1.00 0.00 H new ATOM 630 N ASP A 47 -11.706 7.533 -4.264 1.00 0.00 N ATOM 631 CA ASP A 47 -12.963 7.561 -5.014 1.00 0.00 C ATOM 632 C ASP A 47 -13.341 8.980 -5.431 1.00 0.00 C ATOM 633 O ASP A 47 -14.029 9.181 -6.431 1.00 0.00 O ATOM 634 CB ASP A 47 -14.088 6.942 -4.182 1.00 0.00 C ATOM 635 CG ASP A 47 -15.409 6.906 -4.927 1.00 0.00 C ATOM 636 OD1 ASP A 47 -15.907 7.985 -5.308 1.00 0.00 O ATOM 637 OD2 ASP A 47 -15.944 5.795 -5.129 1.00 0.00 O ATOM 0 H ASP A 47 -11.731 6.947 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.819 6.975 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.808 5.928 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.210 7.511 -3.261 1.00 0.00 H new ATOM 642 N ASP A 48 -12.884 9.958 -4.661 1.00 0.00 N ATOM 643 CA ASP A 48 -13.170 11.359 -4.952 1.00 0.00 C ATOM 644 C ASP A 48 -12.574 11.779 -6.296 1.00 0.00 C ATOM 645 O ASP A 48 -12.884 12.853 -6.812 1.00 0.00 O ATOM 646 CB ASP A 48 -12.621 12.253 -3.838 1.00 0.00 C ATOM 647 CG ASP A 48 -13.224 11.927 -2.486 1.00 0.00 C ATOM 648 OD1 ASP A 48 -14.461 12.029 -2.347 1.00 0.00 O ATOM 649 OD2 ASP A 48 -12.460 11.566 -1.568 1.00 0.00 O ATOM 0 H ASP A 48 -12.313 9.808 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.252 11.475 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.538 12.141 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.822 13.296 -4.081 1.00 0.00 H new ATOM 654 N GLY A 49 -11.715 10.930 -6.857 1.00 0.00 N ATOM 655 CA GLY A 49 -11.092 11.235 -8.130 1.00 0.00 C ATOM 656 C GLY A 49 -9.670 11.732 -7.974 1.00 0.00 C ATOM 657 O GLY A 49 -9.136 12.399 -8.860 1.00 0.00 O ATOM 0 H GLY A 49 -11.441 10.036 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.095 10.343 -8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.683 11.990 -8.649 1.00 0.00 H new ATOM 661 N ARG A 50 -9.054 11.399 -6.846 1.00 0.00 N ATOM 662 CA ARG A 50 -7.677 11.807 -6.577 1.00 0.00 C ATOM 663 C ARG A 50 -6.727 10.627 -6.758 1.00 0.00 C ATOM 664 O ARG A 50 -7.155 9.473 -6.757 1.00 0.00 O ATOM 665 CB ARG A 50 -7.552 12.371 -5.159 1.00 0.00 C ATOM 666 CG ARG A 50 -8.401 13.608 -4.896 1.00 0.00 C ATOM 667 CD ARG A 50 -7.919 14.813 -5.691 1.00 0.00 C ATOM 668 NE ARG A 50 -8.230 14.702 -7.115 1.00 0.00 N ATOM 669 CZ ARG A 50 -7.858 15.597 -8.026 1.00 0.00 C ATOM 670 NH1 ARG A 50 -7.148 16.662 -7.671 1.00 0.00 N ATOM 671 NH2 ARG A 50 -8.192 15.428 -9.297 1.00 0.00 N ATOM 0 H ARG A 50 -9.484 10.848 -6.103 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.405 12.587 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.832 11.595 -4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.507 12.616 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.439 13.396 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.378 13.843 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.379 15.716 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.842 14.921 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.763 13.891 -7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.885 16.797 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.866 17.345 -8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.735 14.611 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.906 16.115 -9.995 1.00 0.00 H new ATOM 685 N GLU A 51 -5.438 10.917 -6.915 1.00 0.00 N ATOM 686 CA GLU A 51 -4.445 9.864 -7.100 1.00 0.00 C ATOM 687 C GLU A 51 -3.069 10.287 -6.583 1.00 0.00 C ATOM 688 O GLU A 51 -2.655 11.435 -6.740 1.00 0.00 O ATOM 689 CB GLU A 51 -4.352 9.489 -8.579 1.00 0.00 C ATOM 690 CG GLU A 51 -5.650 8.948 -9.154 1.00 0.00 C ATOM 691 CD GLU A 51 -5.530 8.566 -10.617 1.00 0.00 C ATOM 692 OE1 GLU A 51 -4.428 8.721 -11.184 1.00 0.00 O ATOM 693 OE2 GLU A 51 -6.540 8.109 -11.196 1.00 0.00 O ATOM 0 H GLU A 51 -5.059 11.864 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.767 8.998 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.050 10.368 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.569 8.742 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.961 8.075 -8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.432 9.699 -9.042 1.00 0.00 H new ATOM 700 N ILE A 52 -2.368 9.337 -5.969 1.00 0.00 N ATOM 701 CA ILE A 52 -1.033 9.575 -5.423 1.00 0.00 C ATOM 702 C ILE A 52 -0.279 8.255 -5.255 1.00 0.00 C ATOM 703 O ILE A 52 -0.896 7.203 -5.120 1.00 0.00 O ATOM 704 CB ILE A 52 -1.106 10.302 -4.064 1.00 0.00 C ATOM 705 CG1 ILE A 52 0.298 10.635 -3.555 1.00 0.00 C ATOM 706 CG2 ILE A 52 -1.854 9.454 -3.049 1.00 0.00 C ATOM 707 CD1 ILE A 52 1.074 11.562 -4.477 1.00 0.00 C ATOM 0 H ILE A 52 -2.707 8.384 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.498 10.210 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.650 11.236 -4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.219 11.097 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.859 9.709 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.897 9.981 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.867 9.268 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.336 8.504 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.060 11.755 -4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.185 11.093 -5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.535 12.503 -4.585 1.00 0.00 H new ATOM 719 N THR A 53 1.053 8.307 -5.280 1.00 0.00 N ATOM 720 CA THR A 53 1.866 7.095 -5.142 1.00 0.00 C ATOM 721 C THR A 53 2.714 7.121 -3.868 1.00 0.00 C ATOM 722 O THR A 53 3.051 8.189 -3.354 1.00 0.00 O ATOM 723 CB THR A 53 2.771 6.929 -6.366 1.00 0.00 C ATOM 724 OG1 THR A 53 2.002 6.855 -7.552 1.00 0.00 O ATOM 725 CG2 THR A 53 3.640 5.690 -6.305 1.00 0.00 C ATOM 0 H THR A 53 1.590 9.167 -5.393 1.00 0.00 H new ATOM 0 HA THR A 53 1.185 6.247 -5.071 1.00 0.00 H new ATOM 0 HB THR A 53 3.417 7.807 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.598 6.751 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.256 5.633 -7.202 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.283 5.739 -5.426 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.007 4.805 -6.242 1.00 0.00 H new ATOM 733 N VAL A 54 3.059 5.933 -3.365 1.00 0.00 N ATOM 734 CA VAL A 54 3.872 5.809 -2.155 1.00 0.00 C ATOM 735 C VAL A 54 4.802 4.592 -2.239 1.00 0.00 C ATOM 736 O VAL A 54 4.383 3.519 -2.671 1.00 0.00 O ATOM 737 CB VAL A 54 2.989 5.682 -0.895 1.00 0.00 C ATOM 738 CG1 VAL A 54 3.848 5.626 0.362 1.00 0.00 C ATOM 739 CG2 VAL A 54 2.001 6.837 -0.821 1.00 0.00 C ATOM 0 H VAL A 54 2.786 5.042 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 54 4.471 6.717 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 54 2.426 4.751 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.206 5.537 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.513 4.764 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.441 6.537 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.386 6.733 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.546 7.780 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.362 6.827 -1.704 1.00 0.00 H new ATOM 749 N PRO A 55 6.083 4.739 -1.838 1.00 0.00 N ATOM 750 CA PRO A 55 7.067 3.646 -1.883 1.00 0.00 C ATOM 751 C PRO A 55 6.868 2.614 -0.771 1.00 0.00 C ATOM 752 O PRO A 55 7.001 2.930 0.412 1.00 0.00 O ATOM 753 CB PRO A 55 8.419 4.359 -1.702 1.00 0.00 C ATOM 754 CG PRO A 55 8.124 5.823 -1.727 1.00 0.00 C ATOM 755 CD PRO A 55 6.687 5.973 -1.322 1.00 0.00 C ATOM 0 HA PRO A 55 6.983 3.082 -2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.887 4.072 -0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.112 4.088 -2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.779 6.363 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.292 6.236 -2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.576 6.058 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.232 6.862 -1.760 1.00 0.00 H new ATOM 763 N LYS A 56 6.554 1.380 -1.160 1.00 0.00 N ATOM 764 CA LYS A 56 6.342 0.297 -0.198 1.00 0.00 C ATOM 765 C LYS A 56 7.561 -0.620 -0.090 1.00 0.00 C ATOM 766 O LYS A 56 7.552 -1.572 0.687 1.00 0.00 O ATOM 767 CB LYS A 56 5.125 -0.541 -0.581 1.00 0.00 C ATOM 768 CG LYS A 56 5.309 -1.333 -1.867 1.00 0.00 C ATOM 769 CD LYS A 56 4.169 -2.315 -2.099 1.00 0.00 C ATOM 770 CE LYS A 56 4.125 -3.389 -1.020 1.00 0.00 C ATOM 771 NZ LYS A 56 3.024 -4.363 -1.253 1.00 0.00 N ATOM 0 H LYS A 56 6.440 1.104 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 56 6.175 0.770 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.900 -1.232 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.262 0.116 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.373 -0.645 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.253 -1.876 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.222 -1.776 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.286 -2.784 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.078 -3.917 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.994 -2.919 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.027 -5.078 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.112 -3.863 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.162 -4.830 -2.172 1.00 0.00 H new ATOM 785 N GLY A 57 8.596 -0.356 -0.885 1.00 0.00 N ATOM 786 CA GLY A 57 9.779 -1.203 -0.861 1.00 0.00 C ATOM 787 C GLY A 57 10.293 -1.470 0.541 1.00 0.00 C ATOM 788 O GLY A 57 10.939 -2.486 0.789 1.00 0.00 O ATOM 0 H GLY A 57 8.638 0.424 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.548 -2.153 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.568 -0.731 -1.447 1.00 0.00 H new ATOM 792 N ILE A 58 9.992 -0.562 1.461 1.00 0.00 N ATOM 793 CA ILE A 58 10.407 -0.708 2.843 1.00 0.00 C ATOM 794 C ILE A 58 9.400 -0.017 3.756 1.00 0.00 C ATOM 795 O ILE A 58 9.746 0.919 4.477 1.00 0.00 O ATOM 796 CB ILE A 58 11.809 -0.108 3.103 1.00 0.00 C ATOM 797 CG1 ILE A 58 12.829 -0.624 2.081 1.00 0.00 C ATOM 798 CG2 ILE A 58 12.262 -0.424 4.524 1.00 0.00 C ATOM 799 CD1 ILE A 58 12.723 0.048 0.728 1.00 0.00 C ATOM 0 H ILE A 58 9.459 0.286 1.269 1.00 0.00 H new ATOM 0 HA ILE A 58 10.453 -1.776 3.054 1.00 0.00 H new ATOM 0 HB ILE A 58 11.744 0.974 2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.834 -0.473 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.694 -1.698 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 58 13.250 0.004 4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.554 0.003 5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.306 -1.505 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.475 -0.366 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.730 -0.125 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.888 1.120 0.840 1.00 0.00 H new ATOM 811 N ALA A 59 8.142 -0.457 3.703 1.00 0.00 N ATOM 812 CA ALA A 59 7.107 0.169 4.519 1.00 0.00 C ATOM 813 C ALA A 59 5.975 -0.783 4.903 1.00 0.00 C ATOM 814 O ALA A 59 5.535 -1.601 4.103 1.00 0.00 O ATOM 815 CB ALA A 59 6.537 1.374 3.783 1.00 0.00 C ATOM 0 H ALA A 59 7.822 -1.228 3.116 1.00 0.00 H new ATOM 0 HA ALA A 59 7.584 0.476 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.764 1.841 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.333 2.094 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.105 1.051 2.836 1.00 0.00 H new ATOM 821 N VAL A 60 5.483 -0.635 6.130 1.00 0.00 N ATOM 822 CA VAL A 60 4.373 -1.449 6.618 1.00 0.00 C ATOM 823 C VAL A 60 3.073 -0.658 6.514 1.00 0.00 C ATOM 824 O VAL A 60 3.071 0.558 6.706 1.00 0.00 O ATOM 825 CB VAL A 60 4.589 -1.893 8.079 1.00 0.00 C ATOM 826 CG1 VAL A 60 4.690 -0.686 9.001 1.00 0.00 C ATOM 827 CG2 VAL A 60 3.470 -2.822 8.525 1.00 0.00 C ATOM 0 H VAL A 60 5.836 0.042 6.806 1.00 0.00 H new ATOM 0 HA VAL A 60 4.319 -2.344 5.999 1.00 0.00 H new ATOM 0 HB VAL A 60 5.530 -2.440 8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.842 -1.023 10.026 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.531 -0.064 8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.769 -0.106 8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.639 -3.125 9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.515 -2.303 8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.454 -3.705 7.886 1.00 0.00 H new ATOM 837 N PHE A 61 1.973 -1.333 6.195 1.00 0.00 N ATOM 838 CA PHE A 61 0.696 -0.641 6.059 1.00 0.00 C ATOM 839 C PHE A 61 -0.487 -1.578 6.267 1.00 0.00 C ATOM 840 O PHE A 61 -0.356 -2.796 6.169 1.00 0.00 O ATOM 841 CB PHE A 61 0.615 0.024 4.684 1.00 0.00 C ATOM 842 CG PHE A 61 0.891 -0.918 3.547 1.00 0.00 C ATOM 843 CD1 PHE A 61 -0.058 -1.842 3.148 1.00 0.00 C ATOM 844 CD2 PHE A 61 2.102 -0.871 2.875 1.00 0.00 C ATOM 845 CE1 PHE A 61 0.195 -2.705 2.097 1.00 0.00 C ATOM 846 CE2 PHE A 61 2.362 -1.731 1.827 1.00 0.00 C ATOM 847 CZ PHE A 61 1.407 -2.650 1.437 1.00 0.00 C ATOM 0 H PHE A 61 1.938 -2.339 6.029 1.00 0.00 H new ATOM 0 HA PHE A 61 0.643 0.120 6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.378 0.455 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.328 0.848 4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.006 -1.890 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.851 -0.153 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.554 -3.421 1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.311 -1.686 1.313 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.608 -3.324 0.618 1.00 0.00 H new ATOM 857 N HIS A 62 -1.644 -0.989 6.556 1.00 0.00 N ATOM 858 CA HIS A 62 -2.863 -1.755 6.785 1.00 0.00 C ATOM 859 C HIS A 62 -4.001 -1.233 5.914 1.00 0.00 C ATOM 860 O HIS A 62 -4.267 -0.032 5.874 1.00 0.00 O ATOM 861 CB HIS A 62 -3.262 -1.680 8.260 1.00 0.00 C ATOM 862 CG HIS A 62 -2.223 -2.225 9.190 1.00 0.00 C ATOM 863 ND1 HIS A 62 -0.932 -1.745 9.243 1.00 0.00 N ATOM 864 CD2 HIS A 62 -2.293 -3.214 10.112 1.00 0.00 C ATOM 865 CE1 HIS A 62 -0.253 -2.414 10.157 1.00 0.00 C ATOM 866 NE2 HIS A 62 -1.054 -3.310 10.699 1.00 0.00 N ATOM 0 H HIS A 62 -1.762 0.021 6.637 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.670 -2.794 6.518 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.462 -0.641 8.521 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.192 -2.230 8.405 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.160 -3.815 10.343 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.783 -2.254 10.417 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.796 -3.968 11.435 1.00 0.00 H new ATOM 875 N PHE A 63 -4.677 -2.146 5.221 1.00 0.00 N ATOM 876 CA PHE A 63 -5.791 -1.780 4.355 1.00 0.00 C ATOM 877 C PHE A 63 -7.117 -1.877 5.104 1.00 0.00 C ATOM 878 O PHE A 63 -7.471 -2.934 5.627 1.00 0.00 O ATOM 879 CB PHE A 63 -5.825 -2.680 3.116 1.00 0.00 C ATOM 880 CG PHE A 63 -4.815 -2.317 2.059 1.00 0.00 C ATOM 881 CD1 PHE A 63 -3.619 -1.697 2.392 1.00 0.00 C ATOM 882 CD2 PHE A 63 -5.067 -2.600 0.726 1.00 0.00 C ATOM 883 CE1 PHE A 63 -2.699 -1.367 1.415 1.00 0.00 C ATOM 884 CE2 PHE A 63 -4.150 -2.273 -0.254 1.00 0.00 C ATOM 885 CZ PHE A 63 -2.964 -1.655 0.091 1.00 0.00 C ATOM 0 H PHE A 63 -4.471 -3.145 5.243 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.646 -0.747 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.655 -3.711 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.822 -2.639 2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.405 -1.470 3.426 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.993 -3.083 0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.772 -0.884 1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.360 -2.500 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.246 -1.398 -0.673 1.00 0.00 H new ATOM 895 N ARG A 64 -7.847 -0.767 5.151 1.00 0.00 N ATOM 896 CA ARG A 64 -9.134 -0.725 5.836 1.00 0.00 C ATOM 897 C ARG A 64 -10.255 -0.446 4.840 1.00 0.00 C ATOM 898 O ARG A 64 -10.271 0.598 4.188 1.00 0.00 O ATOM 899 CB ARG A 64 -9.108 0.349 6.930 1.00 0.00 C ATOM 900 CG ARG A 64 -10.277 0.288 7.907 1.00 0.00 C ATOM 901 CD ARG A 64 -11.603 0.635 7.244 1.00 0.00 C ATOM 902 NE ARG A 64 -11.544 1.908 6.528 1.00 0.00 N ATOM 903 CZ ARG A 64 -11.387 3.089 7.123 1.00 0.00 C ATOM 904 NH1 ARG A 64 -11.320 3.172 8.446 1.00 0.00 N ATOM 905 NH2 ARG A 64 -11.309 4.193 6.393 1.00 0.00 N ATOM 0 H ARG A 64 -7.569 0.116 4.723 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.320 -1.694 6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.178 0.256 7.490 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.098 1.331 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.338 -0.713 8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.095 0.977 8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.879 -0.158 6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.385 0.682 8.002 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.628 1.891 5.512 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.389 2.328 9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.200 4.080 8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.369 4.137 5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.189 5.098 6.848 1.00 0.00 H new ATOM 919 N THR A 65 -11.190 -1.385 4.725 1.00 0.00 N ATOM 920 CA THR A 65 -12.311 -1.234 3.802 1.00 0.00 C ATOM 921 C THR A 65 -13.473 -0.501 4.478 1.00 0.00 C ATOM 922 O THR A 65 -13.804 -0.781 5.631 1.00 0.00 O ATOM 923 CB THR A 65 -12.772 -2.602 3.298 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.681 -3.333 2.766 1.00 0.00 O ATOM 925 CG2 THR A 65 -13.829 -2.515 2.218 1.00 0.00 C ATOM 0 H THR A 65 -11.194 -2.255 5.257 1.00 0.00 H new ATOM 0 HA THR A 65 -11.977 -0.640 2.951 1.00 0.00 H new ATOM 0 HB THR A 65 -13.199 -3.102 4.167 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.995 -4.206 2.450 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.112 -3.520 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.705 -1.996 2.607 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.432 -1.967 1.364 1.00 0.00 H new ATOM 933 N PRO A 66 -14.103 0.452 3.764 1.00 0.00 N ATOM 934 CA PRO A 66 -15.227 1.235 4.296 1.00 0.00 C ATOM 935 C PRO A 66 -16.310 0.371 4.937 1.00 0.00 C ATOM 936 O PRO A 66 -16.988 0.806 5.868 1.00 0.00 O ATOM 937 CB PRO A 66 -15.778 1.944 3.060 1.00 0.00 C ATOM 938 CG PRO A 66 -14.605 2.075 2.151 1.00 0.00 C ATOM 939 CD PRO A 66 -13.765 0.850 2.383 1.00 0.00 C ATOM 0 HA PRO A 66 -14.904 1.907 5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -16.578 1.367 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -16.194 2.919 3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.923 2.139 1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.041 2.982 2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.002 0.061 1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.702 1.067 2.277 1.00 0.00 H new ATOM 947 N GLN A 67 -16.472 -0.850 4.438 1.00 0.00 N ATOM 948 CA GLN A 67 -17.480 -1.760 4.971 1.00 0.00 C ATOM 949 C GLN A 67 -17.186 -2.129 6.425 1.00 0.00 C ATOM 950 O GLN A 67 -18.034 -2.700 7.110 1.00 0.00 O ATOM 951 CB GLN A 67 -17.563 -3.028 4.119 1.00 0.00 C ATOM 952 CG GLN A 67 -16.304 -3.877 4.167 1.00 0.00 C ATOM 953 CD GLN A 67 -16.375 -5.126 3.295 1.00 0.00 C ATOM 954 OE1 GLN A 67 -15.414 -5.892 3.223 1.00 0.00 O ATOM 955 NE2 GLN A 67 -17.508 -5.345 2.627 1.00 0.00 N ATOM 0 H GLN A 67 -15.921 -1.231 3.669 1.00 0.00 H new ATOM 0 HA GLN A 67 -18.439 -1.243 4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -18.408 -3.628 4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.763 -2.748 3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.455 -3.271 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.116 -4.175 5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.284 -4.689 2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.598 -6.169 2.033 1.00 0.00 H new ATOM 964 N GLY A 68 -15.984 -1.799 6.895 1.00 0.00 N ATOM 965 CA GLY A 68 -15.617 -2.107 8.265 1.00 0.00 C ATOM 966 C GLY A 68 -14.687 -3.300 8.372 1.00 0.00 C ATOM 967 O GLY A 68 -14.928 -4.215 9.158 1.00 0.00 O ATOM 0 H GLY A 68 -15.261 -1.326 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.136 -1.237 8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.520 -2.304 8.843 1.00 0.00 H new ATOM 971 N GLU A 69 -13.616 -3.284 7.583 1.00 0.00 N ATOM 972 CA GLU A 69 -12.639 -4.370 7.598 1.00 0.00 C ATOM 973 C GLU A 69 -11.232 -3.829 7.833 1.00 0.00 C ATOM 974 O GLU A 69 -10.901 -2.724 7.402 1.00 0.00 O ATOM 975 CB GLU A 69 -12.687 -5.153 6.285 1.00 0.00 C ATOM 976 CG GLU A 69 -13.993 -5.897 6.068 1.00 0.00 C ATOM 977 CD GLU A 69 -14.238 -6.973 7.109 1.00 0.00 C ATOM 978 OE1 GLU A 69 -13.373 -7.157 7.991 1.00 0.00 O ATOM 979 OE2 GLU A 69 -15.296 -7.636 7.039 1.00 0.00 O ATOM 0 H GLU A 69 -13.402 -2.533 6.927 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.894 -5.042 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.529 -4.464 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.864 -5.868 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.818 -5.185 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.986 -6.351 5.077 1.00 0.00 H new ATOM 986 N LEU A 70 -10.407 -4.614 8.521 1.00 0.00 N ATOM 987 CA LEU A 70 -9.036 -4.211 8.814 1.00 0.00 C ATOM 988 C LEU A 70 -8.040 -5.253 8.311 1.00 0.00 C ATOM 989 O LEU A 70 -8.071 -6.409 8.729 1.00 0.00 O ATOM 990 CB LEU A 70 -8.855 -4.003 10.318 1.00 0.00 C ATOM 991 CG LEU A 70 -7.450 -3.579 10.751 1.00 0.00 C ATOM 992 CD1 LEU A 70 -7.063 -2.262 10.094 1.00 0.00 C ATOM 993 CD2 LEU A 70 -7.375 -3.461 12.268 1.00 0.00 C ATOM 0 H LEU A 70 -10.664 -5.531 8.885 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.843 -3.271 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.565 -3.247 10.652 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.112 -4.930 10.831 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.744 -4.344 10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.061 -1.977 10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.079 -2.378 9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.772 -1.487 10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.369 -3.159 12.560 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.092 -2.715 12.611 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.610 -4.425 12.720 1.00 0.00 H new ATOM 1005 N VAL A 71 -7.157 -4.831 7.411 1.00 0.00 N ATOM 1006 CA VAL A 71 -6.148 -5.723 6.851 1.00 0.00 C ATOM 1007 C VAL A 71 -4.746 -5.184 7.120 1.00 0.00 C ATOM 1008 O VAL A 71 -4.515 -3.977 7.070 1.00 0.00 O ATOM 1009 CB VAL A 71 -6.343 -5.902 5.332 1.00 0.00 C ATOM 1010 CG1 VAL A 71 -5.357 -6.921 4.776 1.00 0.00 C ATOM 1011 CG2 VAL A 71 -7.775 -6.311 5.025 1.00 0.00 C ATOM 0 H VAL A 71 -7.120 -3.876 7.054 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.263 -6.692 7.336 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.148 -4.946 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.513 -7.031 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.338 -6.580 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.513 -7.882 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.896 -6.433 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.999 -7.253 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.458 -5.540 5.381 1.00 0.00 H new ATOM 1021 N GLU A 72 -3.812 -6.086 7.408 1.00 0.00 N ATOM 1022 CA GLU A 72 -2.434 -5.691 7.687 1.00 0.00 C ATOM 1023 C GLU A 72 -1.473 -6.326 6.687 1.00 0.00 C ATOM 1024 O GLU A 72 -1.531 -7.528 6.432 1.00 0.00 O ATOM 1025 CB GLU A 72 -2.033 -6.080 9.114 1.00 0.00 C ATOM 1026 CG GLU A 72 -1.982 -7.581 9.362 1.00 0.00 C ATOM 1027 CD GLU A 72 -3.351 -8.233 9.324 1.00 0.00 C ATOM 1028 OE1 GLU A 72 -4.214 -7.850 10.139 1.00 0.00 O ATOM 1029 OE2 GLU A 72 -3.558 -9.127 8.477 1.00 0.00 O ATOM 0 H GLU A 72 -3.982 -7.091 7.454 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.374 -4.607 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.054 -5.654 9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.739 -5.632 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.343 -8.046 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.523 -7.768 10.333 1.00 0.00 H new ATOM 1036 N ILE A 73 -0.587 -5.508 6.127 1.00 0.00 N ATOM 1037 CA ILE A 73 0.389 -5.989 5.160 1.00 0.00 C ATOM 1038 C ILE A 73 1.775 -5.466 5.508 1.00 0.00 C ATOM 1039 O ILE A 73 1.920 -4.348 6.001 1.00 0.00 O ATOM 1040 CB ILE A 73 0.030 -5.556 3.722 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -1.372 -6.037 3.338 1.00 0.00 C ATOM 1042 CG2 ILE A 73 1.059 -6.082 2.730 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -2.487 -5.320 4.073 1.00 0.00 C ATOM 0 H ILE A 73 -0.526 -4.510 6.327 1.00 0.00 H new ATOM 0 HA ILE A 73 0.380 -7.078 5.204 1.00 0.00 H new ATOM 0 HB ILE A 73 0.039 -4.467 3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.511 -5.902 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.447 -7.106 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.788 -5.766 1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.043 -5.686 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.084 -7.171 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.450 -5.715 3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.374 -5.476 5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.440 -4.253 3.854 1.00 0.00 H new ATOM 1055 N ASP A 74 2.795 -6.276 5.255 1.00 0.00 N ATOM 1056 CA ASP A 74 4.163 -5.880 5.555 1.00 0.00 C ATOM 1057 C ASP A 74 4.934 -5.543 4.283 1.00 0.00 C ATOM 1058 O ASP A 74 5.424 -6.428 3.588 1.00 0.00 O ATOM 1059 CB ASP A 74 4.882 -6.994 6.317 1.00 0.00 C ATOM 1060 CG ASP A 74 4.206 -7.324 7.634 1.00 0.00 C ATOM 1061 OD1 ASP A 74 4.098 -6.420 8.489 1.00 0.00 O ATOM 1062 OD2 ASP A 74 3.784 -8.485 7.808 1.00 0.00 O ATOM 0 H ASP A 74 2.701 -7.205 4.845 1.00 0.00 H new ATOM 0 HA ASP A 74 4.122 -4.986 6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.919 -7.889 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.913 -6.694 6.506 1.00 0.00 H new ATOM 1067 N GLY A 75 5.046 -4.253 3.997 1.00 0.00 N ATOM 1068 CA GLY A 75 5.770 -3.805 2.824 1.00 0.00 C ATOM 1069 C GLY A 75 7.227 -3.519 3.136 1.00 0.00 C ATOM 1070 O GLY A 75 8.040 -3.331 2.235 1.00 0.00 O ATOM 0 H GLY A 75 4.645 -3.504 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.708 -4.566 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.300 -2.905 2.428 1.00 0.00 H new ATOM 1074 N ARG A 76 7.556 -3.449 4.422 1.00 0.00 N ATOM 1075 CA ARG A 76 8.916 -3.163 4.837 1.00 0.00 C ATOM 1076 C ARG A 76 9.716 -4.444 5.037 1.00 0.00 C ATOM 1077 O ARG A 76 10.912 -4.496 4.749 1.00 0.00 O ATOM 1078 CB ARG A 76 8.921 -2.350 6.130 1.00 0.00 C ATOM 1079 CG ARG A 76 8.283 -3.074 7.305 1.00 0.00 C ATOM 1080 CD ARG A 76 8.435 -2.284 8.594 1.00 0.00 C ATOM 1081 NE ARG A 76 7.846 -2.979 9.737 1.00 0.00 N ATOM 1082 CZ ARG A 76 7.907 -2.532 10.988 1.00 0.00 C ATOM 1083 NH1 ARG A 76 8.542 -1.400 11.265 1.00 0.00 N ATOM 1084 NH2 ARG A 76 7.334 -3.218 11.966 1.00 0.00 N ATOM 0 H ARG A 76 6.898 -3.587 5.189 1.00 0.00 H new ATOM 0 HA ARG A 76 9.386 -2.582 4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.950 -2.095 6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.393 -1.412 5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.225 -3.240 7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.742 -4.055 7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.493 -2.104 8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.961 -1.309 8.479 1.00 0.00 H new ATOM 0 HE ARG A 76 7.359 -3.859 9.565 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.986 -0.868 10.517 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.586 -1.062 12.226 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.846 -4.089 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.381 -2.875 12.925 1.00 0.00 H new ATOM 1098 N ALA A 77 9.050 -5.463 5.554 1.00 0.00 N ATOM 1099 CA ALA A 77 9.691 -6.739 5.827 1.00 0.00 C ATOM 1100 C ALA A 77 9.395 -7.797 4.761 1.00 0.00 C ATOM 1101 O ALA A 77 9.907 -8.915 4.842 1.00 0.00 O ATOM 1102 CB ALA A 77 9.272 -7.249 7.197 1.00 0.00 C ATOM 0 H ALA A 77 8.059 -5.431 5.794 1.00 0.00 H new ATOM 0 HA ALA A 77 10.767 -6.563 5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.757 -8.205 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.568 -6.529 7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.190 -7.379 7.222 1.00 0.00 H new ATOM 1108 N LEU A 78 8.574 -7.462 3.768 1.00 0.00 N ATOM 1109 CA LEU A 78 8.241 -8.424 2.718 1.00 0.00 C ATOM 1110 C LEU A 78 8.427 -7.826 1.327 1.00 0.00 C ATOM 1111 O LEU A 78 7.588 -8.014 0.446 1.00 0.00 O ATOM 1112 CB LEU A 78 6.800 -8.915 2.876 1.00 0.00 C ATOM 1113 CG LEU A 78 6.456 -9.484 4.256 1.00 0.00 C ATOM 1114 CD1 LEU A 78 5.010 -9.958 4.296 1.00 0.00 C ATOM 1115 CD2 LEU A 78 7.402 -10.620 4.617 1.00 0.00 C ATOM 0 H LEU A 78 8.133 -6.548 3.668 1.00 0.00 H new ATOM 0 HA LEU A 78 8.925 -9.266 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.125 -8.086 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.610 -9.682 2.126 1.00 0.00 H new ATOM 0 HG LEU A 78 6.576 -8.690 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.786 -10.359 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.346 -9.120 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.861 -10.736 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.142 -11.011 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.316 -11.415 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.427 -10.249 4.634 1.00 0.00 H new ATOM 1127 N VAL A 79 9.532 -7.117 1.125 1.00 0.00 N ATOM 1128 CA VAL A 79 9.812 -6.514 -0.168 1.00 0.00 C ATOM 1129 C VAL A 79 10.220 -7.580 -1.183 1.00 0.00 C ATOM 1130 O VAL A 79 11.361 -8.043 -1.190 1.00 0.00 O ATOM 1131 CB VAL A 79 10.922 -5.449 -0.070 1.00 0.00 C ATOM 1132 CG1 VAL A 79 12.213 -6.062 0.452 1.00 0.00 C ATOM 1133 CG2 VAL A 79 11.148 -4.782 -1.420 1.00 0.00 C ATOM 0 H VAL A 79 10.243 -6.948 1.836 1.00 0.00 H new ATOM 0 HA VAL A 79 8.895 -6.027 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 79 10.599 -4.685 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.983 -5.292 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.041 -6.483 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.541 -6.850 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.935 -4.034 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.444 -5.533 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.226 -4.301 -1.747 1.00 0.00 H new ATOM 1143 N ALA A 80 9.278 -7.972 -2.035 1.00 0.00 N ATOM 1144 CA ALA A 80 9.538 -8.988 -3.048 1.00 0.00 C ATOM 1145 C ALA A 80 9.583 -8.375 -4.441 1.00 0.00 C ATOM 1146 O ALA A 80 8.549 -8.021 -5.009 1.00 0.00 O ATOM 1147 CB ALA A 80 8.482 -10.080 -2.983 1.00 0.00 C ATOM 0 H ALA A 80 8.328 -7.601 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 80 10.513 -9.429 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.689 -10.832 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.501 -10.547 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.498 -9.646 -3.159 1.00 0.00 H new ATOM 1153 N ARG A 81 10.786 -8.252 -4.990 1.00 0.00 N ATOM 1154 CA ARG A 81 10.964 -7.681 -6.319 1.00 0.00 C ATOM 1155 C ARG A 81 11.559 -8.709 -7.280 1.00 0.00 C ATOM 1156 O ARG A 81 12.444 -9.479 -6.904 1.00 0.00 O ATOM 1157 CB ARG A 81 11.869 -6.449 -6.248 1.00 0.00 C ATOM 1158 CG ARG A 81 11.355 -5.376 -5.303 1.00 0.00 C ATOM 1159 CD ARG A 81 12.271 -4.162 -5.288 1.00 0.00 C ATOM 1160 NE ARG A 81 12.376 -3.539 -6.604 1.00 0.00 N ATOM 1161 CZ ARG A 81 13.120 -2.466 -6.860 1.00 0.00 C ATOM 1162 NH1 ARG A 81 13.827 -1.894 -5.892 1.00 0.00 N ATOM 1163 NH2 ARG A 81 13.159 -1.961 -8.086 1.00 0.00 N ATOM 0 H ARG A 81 11.652 -8.540 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 81 9.985 -7.385 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.865 -6.757 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.971 -6.024 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.353 -5.073 -5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.274 -5.785 -4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.894 -3.433 -4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.263 -4.460 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 81 11.848 -3.951 -7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.801 -2.277 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.396 -1.072 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.618 -2.395 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.730 -1.138 -8.281 1.00 0.00 H new ATOM 1177 N PRO A 82 11.082 -8.738 -8.538 1.00 0.00 N ATOM 1178 CA PRO A 82 11.575 -9.677 -9.545 1.00 0.00 C ATOM 1179 C PRO A 82 12.904 -9.241 -10.154 1.00 0.00 C ATOM 1180 O PRO A 82 13.597 -10.036 -10.790 1.00 0.00 O ATOM 1181 CB PRO A 82 10.473 -9.654 -10.601 1.00 0.00 C ATOM 1182 CG PRO A 82 9.908 -8.278 -10.517 1.00 0.00 C ATOM 1183 CD PRO A 82 10.026 -7.858 -9.075 1.00 0.00 C ATOM 0 HA PRO A 82 11.771 -10.663 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.871 -9.860 -11.595 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.713 -10.409 -10.399 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.453 -7.594 -11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.868 -8.265 -10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.298 -6.806 -8.986 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.085 -7.991 -8.541 1.00 0.00 H new ATOM 1191 N GLU A 83 13.255 -7.976 -9.954 1.00 0.00 N ATOM 1192 CA GLU A 83 14.502 -7.435 -10.485 1.00 0.00 C ATOM 1193 C GLU A 83 15.640 -7.590 -9.480 1.00 0.00 C ATOM 1194 O GLU A 83 16.811 -7.628 -9.854 1.00 0.00 O ATOM 1195 CB GLU A 83 14.328 -5.960 -10.851 1.00 0.00 C ATOM 1196 CG GLU A 83 13.257 -5.716 -11.902 1.00 0.00 C ATOM 1197 CD GLU A 83 13.100 -4.248 -12.244 1.00 0.00 C ATOM 1198 OE1 GLU A 83 12.782 -3.456 -11.333 1.00 0.00 O ATOM 1199 OE2 GLU A 83 13.296 -3.890 -13.425 1.00 0.00 O ATOM 0 H GLU A 83 12.694 -7.305 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 83 14.757 -7.999 -11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.077 -5.398 -9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.278 -5.570 -11.215 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.507 -6.271 -12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.305 -6.105 -11.542 1.00 0.00 H new ATOM 1206 N GLU A 84 15.284 -7.682 -8.205 1.00 0.00 N ATOM 1207 CA GLU A 84 16.273 -7.837 -7.143 1.00 0.00 C ATOM 1208 C GLU A 84 16.378 -9.294 -6.700 1.00 0.00 C ATOM 1209 O GLU A 84 17.360 -9.688 -6.068 1.00 0.00 O ATOM 1210 CB GLU A 84 15.909 -6.952 -5.949 1.00 0.00 C ATOM 1211 CG GLU A 84 16.897 -7.044 -4.796 1.00 0.00 C ATOM 1212 CD GLU A 84 18.290 -6.575 -5.177 1.00 0.00 C ATOM 1213 OE1 GLU A 84 18.480 -6.153 -6.337 1.00 0.00 O ATOM 1214 OE2 GLU A 84 19.189 -6.630 -4.313 1.00 0.00 O ATOM 0 H GLU A 84 14.318 -7.652 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 84 17.242 -7.528 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.848 -5.916 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.918 -7.231 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.532 -6.445 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.948 -8.076 -4.449 1.00 0.00 H new ATOM 1221 N ARG A 85 15.364 -10.090 -7.031 1.00 0.00 N ATOM 1222 CA ARG A 85 15.346 -11.502 -6.664 1.00 0.00 C ATOM 1223 C ARG A 85 15.308 -11.673 -5.148 1.00 0.00 C ATOM 1224 O ARG A 85 16.265 -12.156 -4.543 1.00 0.00 O ATOM 1225 CB ARG A 85 16.567 -12.221 -7.244 1.00 0.00 C ATOM 1226 CG ARG A 85 16.651 -12.152 -8.761 1.00 0.00 C ATOM 1227 CD ARG A 85 17.878 -12.882 -9.283 1.00 0.00 C ATOM 1228 NE ARG A 85 19.119 -12.313 -8.759 1.00 0.00 N ATOM 1229 CZ ARG A 85 20.330 -12.772 -9.063 1.00 0.00 C ATOM 1230 NH1 ARG A 85 20.470 -13.804 -9.887 1.00 0.00 N ATOM 1231 NH2 ARG A 85 21.406 -12.198 -8.544 1.00 0.00 N ATOM 0 H ARG A 85 14.544 -9.780 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 85 14.443 -11.946 -7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.471 -11.785 -6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.542 -13.267 -6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.753 -12.590 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 85 16.684 -11.110 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.818 -13.935 -9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.890 -12.837 -10.372 1.00 0.00 H new ATOM 0 HE ARG A 85 19.052 -11.518 -8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 85 19.646 -14.250 -10.291 1.00 0.00 H new ATOM 0 HH12 ARG A 85 21.401 -14.151 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 85 21.306 -11.404 -7.911 1.00 0.00 H new ATOM 0 HH22 ARG A 85 22.334 -12.550 -8.777 1.00 0.00 H new ATOM 1245 N ILE A 86 14.194 -11.274 -4.542 1.00 0.00 N ATOM 1246 CA ILE A 86 14.030 -11.386 -3.098 1.00 0.00 C ATOM 1247 C ILE A 86 12.872 -12.316 -2.754 1.00 0.00 C ATOM 1248 O ILE A 86 11.731 -12.078 -3.154 1.00 0.00 O ATOM 1249 CB ILE A 86 13.780 -10.008 -2.452 1.00 0.00 C ATOM 1250 CG1 ILE A 86 14.894 -9.032 -2.836 1.00 0.00 C ATOM 1251 CG2 ILE A 86 13.687 -10.140 -0.935 1.00 0.00 C ATOM 1252 CD1 ILE A 86 14.709 -7.644 -2.259 1.00 0.00 C ATOM 0 H ILE A 86 13.393 -10.871 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 86 14.957 -11.799 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 86 12.832 -9.617 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 86 15.849 -9.433 -2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.945 -8.961 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.510 -9.159 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.864 -10.807 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 86 14.620 -10.549 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 86 15.536 -7.006 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 86 13.770 -7.223 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 86 14.688 -7.702 -1.171 1.00 0.00 H new TER 1264 ILE A 86