USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -39:sc= -1.8! USER MOD Set 1.2: A 105 HEM CMB :methyl -30:sc= -2.35 (180deg=-0.32) USER MOD Set 2.1: A 53 GLN : amide:sc= -10.2! C(o=-24!,f=-33!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -13.9! (180deg=-10.2!) USER MOD Set 3.1: A 25 THR OG1 : rot -46:sc= -0.214 USER MOD Set 3.2: A 37 THR OG1 : rot -170:sc= 1.03 USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.105 (180deg=0) USER MOD Single : A 4 SER OG : rot 59:sc= 0.029 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.264 USER MOD Single : A 17 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -1.61! C(o=-1.6!,f=-6.2!) USER MOD Single : A 20 ASN :FLIP amide:sc= -3.81! C(o=-5.4!,f=-3.8!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc=-0.000108 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 31 TYR OH : rot -39:sc= -1.75! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 3:sc= -0.432 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -23.9! C(o=-24!,f=-31!) USER MOD Single : A 59 THR OG1 : rot -27:sc= 0.904 USER MOD Single : A 61 ASN : amide:sc= -1.49 K(o=-1.5,f=-2) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0382 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -16.8! C(o=-17!,f=-18!) USER MOD Single : A 89 SER OG : rot -33:sc= 0.229 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 26:sc= 0.0124 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -1.46 (180deg=-1.46) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.524 1.159 -29.374 1.00 0.00 N ATOM 2 CA ALA A 1 32.267 0.699 -28.809 1.00 0.00 C ATOM 3 C ALA A 1 31.120 1.085 -29.745 1.00 0.00 C ATOM 4 O ALA A 1 31.231 2.047 -30.504 1.00 0.00 O ATOM 5 CB ALA A 1 32.094 1.280 -27.404 1.00 0.00 C ATOM 0 H1 ALA A 1 34.090 0.340 -29.675 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.333 1.769 -30.195 1.00 0.00 H new ATOM 0 H3 ALA A 1 34.050 1.698 -28.657 1.00 0.00 H new ATOM 0 HA ALA A 1 32.264 -0.387 -28.715 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.151 0.934 -26.981 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.918 0.951 -26.770 1.00 0.00 H new ATOM 0 HB3 ALA A 1 32.090 2.369 -27.458 1.00 0.00 H new ATOM 11 N GLU A 2 30.044 0.316 -29.661 1.00 0.00 N ATOM 12 CA GLU A 2 28.878 0.567 -30.491 1.00 0.00 C ATOM 13 C GLU A 2 27.804 -0.491 -30.229 1.00 0.00 C ATOM 14 O GLU A 2 28.069 -1.688 -30.329 1.00 0.00 O ATOM 15 CB GLU A 2 29.258 0.607 -31.973 1.00 0.00 C ATOM 16 CG GLU A 2 30.064 -0.633 -32.366 1.00 0.00 C ATOM 17 CD GLU A 2 30.548 -0.536 -33.814 1.00 0.00 C ATOM 18 OE1 GLU A 2 31.323 0.406 -34.092 1.00 0.00 O ATOM 19 OE2 GLU A 2 30.133 -1.404 -34.611 1.00 0.00 O ATOM 0 H GLU A 2 29.955 -0.481 -29.031 1.00 0.00 H new ATOM 0 HA GLU A 2 28.472 1.544 -30.228 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.356 0.667 -32.582 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.841 1.505 -32.178 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.920 -0.741 -31.699 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.449 -1.525 -32.243 1.00 0.00 H new ATOM 26 N GLU A 3 26.614 -0.011 -29.901 1.00 0.00 N ATOM 27 CA GLU A 3 25.497 -0.899 -29.624 1.00 0.00 C ATOM 28 C GLU A 3 24.276 -0.093 -29.177 1.00 0.00 C ATOM 29 O GLU A 3 24.335 1.131 -29.087 1.00 0.00 O ATOM 30 CB GLU A 3 25.879 -1.946 -28.576 1.00 0.00 C ATOM 31 CG GLU A 3 25.757 -3.362 -29.145 1.00 0.00 C ATOM 32 CD GLU A 3 25.856 -4.410 -28.036 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.188 -4.204 -26.998 1.00 0.00 O ATOM 34 OE2 GLU A 3 26.599 -5.393 -28.247 1.00 0.00 O ATOM 0 H GLU A 3 26.398 0.983 -29.821 1.00 0.00 H new ATOM 0 HA GLU A 3 25.240 -1.428 -30.542 1.00 0.00 H new ATOM 0 HB2 GLU A 3 26.901 -1.772 -28.239 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.234 -1.844 -27.703 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.805 -3.468 -29.666 1.00 0.00 H new ATOM 0 HG3 GLU A 3 26.543 -3.531 -29.881 1.00 0.00 H new ATOM 41 N SER A 4 23.197 -0.817 -28.909 1.00 0.00 N ATOM 42 CA SER A 4 21.964 -0.183 -28.473 1.00 0.00 C ATOM 43 C SER A 4 20.929 -1.250 -28.109 1.00 0.00 C ATOM 44 O SER A 4 21.129 -2.434 -28.384 1.00 0.00 O ATOM 45 CB SER A 4 21.409 0.746 -29.554 1.00 0.00 C ATOM 46 OG SER A 4 21.462 2.115 -29.160 1.00 0.00 O ATOM 0 H SER A 4 23.152 -1.833 -28.985 1.00 0.00 H new ATOM 0 HA SER A 4 22.183 0.420 -27.592 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.977 0.611 -30.474 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.377 0.471 -29.773 1.00 0.00 H new ATOM 0 HG SER A 4 22.391 2.366 -28.974 1.00 0.00 H new ATOM 52 N SER A 5 19.846 -0.795 -27.498 1.00 0.00 N ATOM 53 CA SER A 5 18.780 -1.696 -27.094 1.00 0.00 C ATOM 54 C SER A 5 17.522 -0.897 -26.745 1.00 0.00 C ATOM 55 O SER A 5 17.594 0.310 -26.519 1.00 0.00 O ATOM 56 CB SER A 5 19.208 -2.557 -25.903 1.00 0.00 C ATOM 57 OG SER A 5 19.187 -1.825 -24.681 1.00 0.00 O ATOM 0 H SER A 5 19.683 0.186 -27.273 1.00 0.00 H new ATOM 0 HA SER A 5 18.560 -2.361 -27.929 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.545 -3.418 -25.821 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.212 -2.943 -26.077 1.00 0.00 H new ATOM 0 HG SER A 5 19.465 -2.409 -23.945 1.00 0.00 H new ATOM 63 N LYS A 6 16.401 -1.602 -26.714 1.00 0.00 N ATOM 64 CA LYS A 6 15.131 -0.972 -26.400 1.00 0.00 C ATOM 65 C LYS A 6 14.059 -2.052 -26.240 1.00 0.00 C ATOM 66 O LYS A 6 14.354 -3.244 -26.319 1.00 0.00 O ATOM 67 CB LYS A 6 14.784 0.089 -27.445 1.00 0.00 C ATOM 68 CG LYS A 6 14.502 -0.552 -28.806 1.00 0.00 C ATOM 69 CD LYS A 6 15.262 0.171 -29.920 1.00 0.00 C ATOM 70 CE LYS A 6 14.314 1.034 -30.756 1.00 0.00 C ATOM 71 NZ LYS A 6 14.825 2.420 -30.852 1.00 0.00 N ATOM 0 H LYS A 6 16.346 -2.603 -26.901 1.00 0.00 H new ATOM 0 HA LYS A 6 15.194 -0.440 -25.451 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.912 0.655 -27.118 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.607 0.797 -27.536 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.793 -1.602 -28.785 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.432 -0.522 -29.012 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.043 0.796 -29.487 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.757 -0.559 -30.561 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.210 0.608 -31.754 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.322 1.036 -30.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.170 2.993 -31.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.902 2.828 -29.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.762 2.414 -31.303 1.00 0.00 H new ATOM 85 N ALA A 7 12.833 -1.596 -26.019 1.00 0.00 N ATOM 86 CA ALA A 7 11.715 -2.509 -25.848 1.00 0.00 C ATOM 87 C ALA A 7 11.981 -3.413 -24.644 1.00 0.00 C ATOM 88 O ALA A 7 12.313 -4.588 -24.806 1.00 0.00 O ATOM 89 CB ALA A 7 11.501 -3.303 -27.139 1.00 0.00 C ATOM 0 H ALA A 7 12.590 -0.607 -25.955 1.00 0.00 H new ATOM 0 HA ALA A 7 10.796 -1.958 -25.649 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.663 -3.988 -27.010 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.286 -2.616 -27.957 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.402 -3.872 -27.370 1.00 0.00 H new ATOM 95 N VAL A 8 11.824 -2.833 -23.463 1.00 0.00 N ATOM 96 CA VAL A 8 12.044 -3.575 -22.231 1.00 0.00 C ATOM 97 C VAL A 8 11.632 -5.033 -22.439 1.00 0.00 C ATOM 98 O VAL A 8 12.406 -5.946 -22.155 1.00 0.00 O ATOM 99 CB VAL A 8 11.299 -2.900 -21.076 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.353 -1.814 -21.593 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.542 -3.931 -20.237 1.00 0.00 C ATOM 0 H VAL A 8 11.548 -1.860 -23.332 1.00 0.00 H new ATOM 0 HA VAL A 8 13.101 -3.572 -21.965 1.00 0.00 H new ATOM 0 HB VAL A 8 12.039 -2.422 -20.434 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.837 -1.351 -20.752 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.926 -1.057 -22.128 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.621 -2.259 -22.267 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.021 -3.426 -19.423 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.818 -4.450 -20.865 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.247 -4.653 -19.824 1.00 0.00 H new ATOM 111 N LYS A 9 10.413 -5.207 -22.929 1.00 0.00 N ATOM 112 CA LYS A 9 9.890 -6.539 -23.177 1.00 0.00 C ATOM 113 C LYS A 9 9.435 -7.158 -21.853 1.00 0.00 C ATOM 114 O LYS A 9 8.294 -7.599 -21.730 1.00 0.00 O ATOM 115 CB LYS A 9 10.916 -7.387 -23.932 1.00 0.00 C ATOM 116 CG LYS A 9 10.316 -7.961 -25.216 1.00 0.00 C ATOM 117 CD LYS A 9 11.327 -8.846 -25.947 1.00 0.00 C ATOM 118 CE LYS A 9 11.105 -8.800 -27.459 1.00 0.00 C ATOM 119 NZ LYS A 9 12.220 -9.464 -28.169 1.00 0.00 N ATOM 0 H LYS A 9 9.773 -4.447 -23.161 1.00 0.00 H new ATOM 0 HA LYS A 9 9.015 -6.490 -23.824 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.788 -6.779 -24.174 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.262 -8.200 -23.293 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.425 -8.542 -24.977 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.000 -7.148 -25.869 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.339 -8.516 -25.715 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.238 -9.873 -25.594 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.164 -9.290 -27.709 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.022 -7.764 -27.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.052 -9.423 -29.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.112 -8.979 -27.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.281 -10.458 -27.868 1.00 0.00 H new ATOM 133 N TYR A 10 10.352 -7.171 -20.897 1.00 0.00 N ATOM 134 CA TYR A 10 10.060 -7.728 -19.587 1.00 0.00 C ATOM 135 C TYR A 10 10.611 -6.834 -18.475 1.00 0.00 C ATOM 136 O TYR A 10 11.805 -6.540 -18.447 1.00 0.00 O ATOM 137 CB TYR A 10 10.769 -9.083 -19.537 1.00 0.00 C ATOM 138 CG TYR A 10 11.869 -9.247 -20.587 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.080 -8.605 -20.426 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.652 -10.038 -21.697 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.116 -8.761 -21.413 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.686 -10.194 -22.684 1.00 0.00 C ATOM 143 CZ TYR A 10 13.868 -9.547 -22.494 1.00 0.00 C ATOM 144 OH TYR A 10 14.845 -9.695 -23.428 1.00 0.00 O ATOM 0 H TYR A 10 11.298 -6.805 -21.003 1.00 0.00 H new ATOM 0 HA TYR A 10 8.984 -7.814 -19.438 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.203 -9.218 -18.546 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.031 -9.873 -19.672 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.251 -7.985 -19.558 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.704 -10.540 -21.824 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.068 -8.265 -21.297 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.528 -10.811 -23.556 1.00 0.00 H new ATOM 0 HH TYR A 10 14.527 -10.285 -24.143 1.00 0.00 H new ATOM 154 N TYR A 11 9.717 -6.429 -17.586 1.00 0.00 N ATOM 155 CA TYR A 11 10.101 -5.575 -16.475 1.00 0.00 C ATOM 156 C TYR A 11 9.625 -6.160 -15.144 1.00 0.00 C ATOM 157 O TYR A 11 8.786 -7.061 -15.122 1.00 0.00 O ATOM 158 CB TYR A 11 9.398 -4.237 -16.709 1.00 0.00 C ATOM 159 CG TYR A 11 10.339 -3.105 -17.128 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.547 -3.398 -17.728 1.00 0.00 C ATOM 161 CD2 TYR A 11 9.980 -1.791 -16.907 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.433 -2.334 -18.122 1.00 0.00 C ATOM 163 CE2 TYR A 11 10.866 -0.727 -17.301 1.00 0.00 C ATOM 164 CZ TYR A 11 12.049 -1.050 -17.888 1.00 0.00 C ATOM 165 OH TYR A 11 12.884 -0.044 -18.261 1.00 0.00 O ATOM 0 H TYR A 11 8.728 -6.676 -17.612 1.00 0.00 H new ATOM 0 HA TYR A 11 11.185 -5.475 -16.425 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.638 -4.367 -17.479 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.880 -3.946 -15.795 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.828 -4.426 -17.902 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.034 -1.561 -16.439 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.381 -2.550 -18.593 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.597 0.305 -17.134 1.00 0.00 H new ATOM 0 HH TYR A 11 12.479 0.819 -18.033 1.00 0.00 H new ATOM 175 N THR A 12 10.179 -5.625 -14.066 1.00 0.00 N ATOM 176 CA THR A 12 9.821 -6.084 -12.734 1.00 0.00 C ATOM 177 C THR A 12 8.976 -5.030 -12.017 1.00 0.00 C ATOM 178 O THR A 12 9.072 -3.841 -12.318 1.00 0.00 O ATOM 179 CB THR A 12 11.112 -6.434 -11.992 1.00 0.00 C ATOM 180 OG1 THR A 12 11.783 -5.183 -11.853 1.00 0.00 O ATOM 181 CG2 THR A 12 12.067 -7.276 -12.842 1.00 0.00 C ATOM 0 H THR A 12 10.873 -4.878 -14.087 1.00 0.00 H new ATOM 0 HA THR A 12 9.201 -6.979 -12.777 1.00 0.00 H new ATOM 0 HB THR A 12 10.869 -6.974 -11.077 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.631 -5.317 -11.380 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.967 -7.496 -12.268 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.578 -8.209 -13.122 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.337 -6.723 -13.742 1.00 0.00 H new ATOM 189 N LEU A 13 8.165 -5.504 -11.081 1.00 0.00 N ATOM 190 CA LEU A 13 7.303 -4.618 -10.319 1.00 0.00 C ATOM 191 C LEU A 13 8.099 -3.384 -9.887 1.00 0.00 C ATOM 192 O LEU A 13 7.577 -2.272 -9.892 1.00 0.00 O ATOM 193 CB LEU A 13 6.657 -5.370 -9.154 1.00 0.00 C ATOM 194 CG LEU A 13 5.219 -5.845 -9.377 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.647 -6.474 -8.106 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.341 -4.705 -9.898 1.00 0.00 C ATOM 0 H LEU A 13 8.088 -6.491 -10.834 1.00 0.00 H new ATOM 0 HA LEU A 13 6.478 -4.265 -10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.273 -6.238 -8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.673 -4.723 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 13 5.229 -6.620 -10.143 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.625 -6.803 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.257 -7.330 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.651 -5.738 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.324 -5.068 -10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.332 -3.892 -9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.740 -4.342 -10.845 1.00 0.00 H new ATOM 208 N GLU A 14 9.353 -3.625 -9.527 1.00 0.00 N ATOM 209 CA GLU A 14 10.225 -2.546 -9.095 1.00 0.00 C ATOM 210 C GLU A 14 10.540 -1.615 -10.266 1.00 0.00 C ATOM 211 O GLU A 14 10.384 -0.399 -10.156 1.00 0.00 O ATOM 212 CB GLU A 14 11.510 -3.098 -8.474 1.00 0.00 C ATOM 213 CG GLU A 14 11.711 -2.557 -7.056 1.00 0.00 C ATOM 214 CD GLU A 14 10.869 -3.339 -6.047 1.00 0.00 C ATOM 215 OE1 GLU A 14 11.149 -4.547 -5.888 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.964 -2.711 -5.456 1.00 0.00 O ATOM 0 H GLU A 14 9.784 -4.549 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 14 9.706 -1.970 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.467 -4.187 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.364 -2.827 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.764 -2.622 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.438 -1.502 -7.023 1.00 0.00 H new ATOM 223 N GLU A 15 10.973 -2.220 -11.362 1.00 0.00 N ATOM 224 CA GLU A 15 11.310 -1.459 -12.553 1.00 0.00 C ATOM 225 C GLU A 15 10.181 -0.484 -12.898 1.00 0.00 C ATOM 226 O GLU A 15 10.436 0.638 -13.333 1.00 0.00 O ATOM 227 CB GLU A 15 11.611 -2.388 -13.731 1.00 0.00 C ATOM 228 CG GLU A 15 12.224 -1.612 -14.899 1.00 0.00 C ATOM 229 CD GLU A 15 13.659 -1.188 -14.582 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.565 -2.009 -14.843 1.00 0.00 O ATOM 231 OE2 GLU A 15 13.818 -0.051 -14.086 1.00 0.00 O ATOM 0 H GLU A 15 11.098 -3.228 -11.450 1.00 0.00 H new ATOM 0 HA GLU A 15 12.212 -0.882 -12.348 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.296 -3.174 -13.413 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.693 -2.877 -14.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.214 -2.230 -15.797 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.619 -0.731 -15.112 1.00 0.00 H new ATOM 238 N ILE A 16 8.959 -0.949 -12.691 1.00 0.00 N ATOM 239 CA ILE A 16 7.790 -0.135 -12.975 1.00 0.00 C ATOM 240 C ILE A 16 7.562 0.842 -11.818 1.00 0.00 C ATOM 241 O ILE A 16 7.148 1.981 -12.035 1.00 0.00 O ATOM 242 CB ILE A 16 6.579 -1.020 -13.278 1.00 0.00 C ATOM 243 CG1 ILE A 16 6.958 -2.158 -14.228 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.413 -0.188 -13.816 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.467 -3.505 -13.692 1.00 0.00 C ATOM 0 H ILE A 16 8.752 -1.880 -12.330 1.00 0.00 H new ATOM 0 HA ILE A 16 7.951 0.462 -13.873 1.00 0.00 H new ATOM 0 HB ILE A 16 6.245 -1.476 -12.346 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.526 -1.975 -15.212 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.040 -2.186 -14.355 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.565 -0.841 -14.023 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.125 0.557 -13.074 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.717 0.314 -14.734 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.749 -4.297 -14.386 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.920 -3.696 -12.719 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.382 -3.482 -13.589 1.00 0.00 H new ATOM 257 N GLN A 17 7.843 0.362 -10.616 1.00 0.00 N ATOM 258 CA GLN A 17 7.674 1.179 -9.427 1.00 0.00 C ATOM 259 C GLN A 17 8.611 2.387 -9.474 1.00 0.00 C ATOM 260 O GLN A 17 8.224 3.492 -9.098 1.00 0.00 O ATOM 261 CB GLN A 17 7.908 0.355 -8.158 1.00 0.00 C ATOM 262 CG GLN A 17 6.944 0.775 -7.046 1.00 0.00 C ATOM 263 CD GLN A 17 7.673 1.570 -5.962 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.850 1.377 -5.699 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.911 2.469 -5.345 1.00 0.00 N ATOM 0 H GLN A 17 8.187 -0.582 -10.440 1.00 0.00 H new ATOM 0 HA GLN A 17 6.646 1.541 -9.403 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.775 -0.704 -8.378 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.936 0.484 -7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.139 1.379 -7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.483 -0.109 -6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.933 2.580 -5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.304 3.048 -4.603 1.00 0.00 H new ATOM 274 N LYS A 18 9.825 2.138 -9.943 1.00 0.00 N ATOM 275 CA LYS A 18 10.819 3.192 -10.046 1.00 0.00 C ATOM 276 C LYS A 18 10.331 4.252 -11.034 1.00 0.00 C ATOM 277 O LYS A 18 10.692 5.423 -10.921 1.00 0.00 O ATOM 278 CB LYS A 18 12.188 2.604 -10.399 1.00 0.00 C ATOM 279 CG LYS A 18 12.650 1.609 -9.333 1.00 0.00 C ATOM 280 CD LYS A 18 14.094 1.172 -9.580 1.00 0.00 C ATOM 281 CE LYS A 18 15.048 1.848 -8.592 1.00 0.00 C ATOM 282 NZ LYS A 18 16.280 2.294 -9.283 1.00 0.00 N ATOM 0 H LYS A 18 10.143 1.221 -10.256 1.00 0.00 H new ATOM 0 HA LYS A 18 10.950 3.689 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.135 2.106 -11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.919 3.407 -10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.568 2.064 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.997 0.737 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.172 0.089 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.384 1.422 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.555 2.702 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.304 1.154 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.916 2.750 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.758 1.473 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.032 2.973 -10.031 1.00 0.00 H new ATOM 296 N HIS A 19 9.517 3.805 -11.980 1.00 0.00 N ATOM 297 CA HIS A 19 8.975 4.702 -12.986 1.00 0.00 C ATOM 298 C HIS A 19 7.569 5.141 -12.578 1.00 0.00 C ATOM 299 O HIS A 19 6.584 4.501 -12.944 1.00 0.00 O ATOM 300 CB HIS A 19 9.017 4.053 -14.371 1.00 0.00 C ATOM 301 CG HIS A 19 10.372 4.106 -15.034 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.536 4.373 -16.383 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.623 3.925 -14.522 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.832 4.350 -16.658 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.504 4.071 -15.503 1.00 0.00 N ATOM 0 H HIS A 19 9.220 2.833 -12.070 1.00 0.00 H new ATOM 0 HA HIS A 19 9.592 5.598 -13.050 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.708 3.011 -14.282 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.290 4.548 -15.015 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.787 4.556 -17.051 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.857 3.701 -13.492 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.278 4.522 -17.626 1.00 0.00 H new ATOM 314 N ASN A 20 7.518 6.231 -11.827 1.00 0.00 N ATOM 315 CA ASN A 20 6.247 6.763 -11.365 1.00 0.00 C ATOM 316 C ASN A 20 6.284 8.292 -11.434 1.00 0.00 C ATOM 317 O ASN A 20 5.483 8.965 -10.785 1.00 0.00 O ATOM 318 CB ASN A 20 5.975 6.362 -9.915 1.00 0.00 C ATOM 319 CG ASN A 20 4.884 7.240 -9.296 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.796 7.361 -10.051 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 5.023 7.772 -8.208 1.00 0.00 N flip ATOM 0 H ASN A 20 8.336 6.761 -11.527 1.00 0.00 H new ATOM 0 HA ASN A 20 5.461 6.359 -12.003 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.671 5.316 -9.875 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.892 6.450 -9.332 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.886 7.637 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.277 8.352 -7.825 1.00 0.00 H new ATOM 328 N ASN A 21 7.221 8.794 -12.225 1.00 0.00 N ATOM 329 CA ASN A 21 7.372 10.229 -12.387 1.00 0.00 C ATOM 330 C ASN A 21 6.841 10.642 -13.760 1.00 0.00 C ATOM 331 O ASN A 21 6.817 9.835 -14.689 1.00 0.00 O ATOM 332 CB ASN A 21 8.844 10.640 -12.305 1.00 0.00 C ATOM 333 CG ASN A 21 9.315 10.705 -10.851 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.130 11.689 -10.154 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.934 9.604 -10.433 1.00 0.00 N ATOM 0 H ASN A 21 7.883 8.232 -12.760 1.00 0.00 H new ATOM 0 HA ASN A 21 6.816 10.719 -11.588 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.456 9.927 -12.858 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.981 11.612 -12.779 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.287 9.549 -9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.056 8.815 -11.068 1.00 0.00 H new ATOM 342 N SER A 22 6.429 11.899 -13.847 1.00 0.00 N ATOM 343 CA SER A 22 5.900 12.429 -15.092 1.00 0.00 C ATOM 344 C SER A 22 6.912 12.222 -16.220 1.00 0.00 C ATOM 345 O SER A 22 6.563 12.315 -17.397 1.00 0.00 O ATOM 346 CB SER A 22 5.554 13.912 -14.957 1.00 0.00 C ATOM 347 OG SER A 22 5.388 14.541 -16.225 1.00 0.00 O ATOM 0 H SER A 22 6.451 12.565 -13.075 1.00 0.00 H new ATOM 0 HA SER A 22 4.983 11.890 -15.330 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.637 14.019 -14.377 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.343 14.419 -14.402 1.00 0.00 H new ATOM 0 HG SER A 22 5.166 15.487 -16.095 1.00 0.00 H new ATOM 353 N LYS A 23 8.145 11.943 -15.823 1.00 0.00 N ATOM 354 CA LYS A 23 9.210 11.723 -16.787 1.00 0.00 C ATOM 355 C LYS A 23 9.308 10.227 -17.098 1.00 0.00 C ATOM 356 O LYS A 23 9.608 9.842 -18.227 1.00 0.00 O ATOM 357 CB LYS A 23 10.521 12.333 -16.286 1.00 0.00 C ATOM 358 CG LYS A 23 11.156 13.220 -17.360 1.00 0.00 C ATOM 359 CD LYS A 23 12.622 13.510 -17.031 1.00 0.00 C ATOM 360 CE LYS A 23 13.394 13.916 -18.289 1.00 0.00 C ATOM 361 NZ LYS A 23 14.816 13.523 -18.172 1.00 0.00 N ATOM 0 H LYS A 23 8.430 11.864 -14.847 1.00 0.00 H new ATOM 0 HA LYS A 23 8.986 12.232 -17.725 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.333 12.921 -15.387 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.214 11.539 -16.008 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.087 12.729 -18.331 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.604 14.157 -17.437 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.682 14.307 -16.290 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.081 12.627 -16.587 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.950 13.442 -19.164 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.319 14.993 -18.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.326 13.805 -19.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.240 13.995 -17.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.883 12.492 -18.052 1.00 0.00 H new ATOM 375 N SER A 24 9.048 9.424 -16.077 1.00 0.00 N ATOM 376 CA SER A 24 9.103 7.980 -16.227 1.00 0.00 C ATOM 377 C SER A 24 7.832 7.346 -15.659 1.00 0.00 C ATOM 378 O SER A 24 7.868 6.707 -14.610 1.00 0.00 O ATOM 379 CB SER A 24 10.339 7.401 -15.536 1.00 0.00 C ATOM 380 OG SER A 24 10.860 8.285 -14.547 1.00 0.00 O ATOM 0 H SER A 24 8.799 9.746 -15.142 1.00 0.00 H new ATOM 0 HA SER A 24 9.173 7.749 -17.290 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.082 6.449 -15.072 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.108 7.196 -16.281 1.00 0.00 H new ATOM 0 HG SER A 24 11.647 7.879 -14.127 1.00 0.00 H new ATOM 386 N THR A 25 6.737 7.546 -16.379 1.00 0.00 N ATOM 387 CA THR A 25 5.456 7.002 -15.960 1.00 0.00 C ATOM 388 C THR A 25 5.221 5.635 -16.606 1.00 0.00 C ATOM 389 O THR A 25 4.757 5.554 -17.742 1.00 0.00 O ATOM 390 CB THR A 25 4.373 8.028 -16.298 1.00 0.00 C ATOM 391 OG1 THR A 25 5.009 9.286 -16.086 1.00 0.00 O ATOM 392 CG2 THR A 25 3.221 8.018 -15.291 1.00 0.00 C ATOM 0 H THR A 25 6.711 8.077 -17.249 1.00 0.00 H new ATOM 0 HA THR A 25 5.433 6.827 -14.884 1.00 0.00 H new ATOM 0 HB THR A 25 3.983 7.829 -17.296 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.486 9.271 -15.230 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.480 8.765 -15.578 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.757 7.032 -15.279 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.604 8.250 -14.297 1.00 0.00 H new ATOM 400 N TRP A 26 5.551 4.597 -15.854 1.00 0.00 N ATOM 401 CA TRP A 26 5.382 3.237 -16.337 1.00 0.00 C ATOM 402 C TRP A 26 4.342 2.546 -15.452 1.00 0.00 C ATOM 403 O TRP A 26 4.290 2.785 -14.248 1.00 0.00 O ATOM 404 CB TRP A 26 6.720 2.497 -16.375 1.00 0.00 C ATOM 405 CG TRP A 26 7.386 2.483 -17.753 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.640 1.425 -18.536 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.871 3.629 -18.485 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.254 1.803 -19.713 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.398 3.184 -19.681 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.868 4.993 -18.148 1.00 0.00 C ATOM 411 CZ2 TRP A 26 8.960 4.041 -20.636 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.432 5.835 -19.112 1.00 0.00 C ATOM 413 CH2 TRP A 26 8.965 5.405 -20.321 1.00 0.00 C ATOM 0 H TRP A 26 5.935 4.670 -14.912 1.00 0.00 H new ATOM 0 HA TRP A 26 5.020 3.236 -17.365 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.400 2.960 -15.659 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.564 1.469 -16.048 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.395 0.405 -18.278 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.548 1.182 -20.467 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.462 5.362 -17.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.367 3.670 -21.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.455 6.894 -18.902 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.381 6.120 -21.015 1.00 0.00 H new ATOM 424 N LEU A 27 3.539 1.703 -16.086 1.00 0.00 N ATOM 425 CA LEU A 27 2.503 0.976 -15.373 1.00 0.00 C ATOM 426 C LEU A 27 2.326 -0.404 -16.008 1.00 0.00 C ATOM 427 O LEU A 27 2.885 -0.681 -17.067 1.00 0.00 O ATOM 428 CB LEU A 27 1.215 1.798 -15.315 1.00 0.00 C ATOM 429 CG LEU A 27 0.253 1.622 -16.492 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.005 1.667 -17.824 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.569 0.341 -16.341 1.00 0.00 C ATOM 0 H LEU A 27 3.586 1.508 -17.086 1.00 0.00 H new ATOM 0 HA LEU A 27 2.796 0.814 -14.336 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.685 1.542 -14.397 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.483 2.852 -15.245 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.448 2.456 -16.489 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.299 1.540 -18.645 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.509 2.628 -17.925 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.743 0.865 -17.852 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.245 0.240 -17.190 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.100 -0.519 -16.305 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.149 0.388 -15.420 1.00 0.00 H new ATOM 443 N ILE A 28 1.544 -1.235 -15.332 1.00 0.00 N ATOM 444 CA ILE A 28 1.285 -2.579 -15.818 1.00 0.00 C ATOM 445 C ILE A 28 -0.222 -2.769 -16.002 1.00 0.00 C ATOM 446 O ILE A 28 -0.998 -2.543 -15.074 1.00 0.00 O ATOM 447 CB ILE A 28 1.927 -3.616 -14.893 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.131 -3.023 -14.159 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.292 -4.886 -15.663 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.320 -3.685 -12.792 1.00 0.00 C ATOM 0 H ILE A 28 1.082 -1.003 -14.453 1.00 0.00 H new ATOM 0 HA ILE A 28 1.747 -2.727 -16.794 1.00 0.00 H new ATOM 0 HB ILE A 28 1.196 -3.899 -14.136 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.030 -3.158 -14.760 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.991 -1.950 -14.031 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.746 -5.606 -14.983 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.392 -5.318 -16.100 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.998 -4.640 -16.456 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.182 -3.245 -12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.428 -3.527 -12.185 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.484 -4.754 -12.925 1.00 0.00 H new ATOM 462 N LEU A 29 -0.592 -3.182 -17.205 1.00 0.00 N ATOM 463 CA LEU A 29 -1.992 -3.404 -17.522 1.00 0.00 C ATOM 464 C LEU A 29 -2.191 -4.862 -17.943 1.00 0.00 C ATOM 465 O LEU A 29 -1.567 -5.327 -18.897 1.00 0.00 O ATOM 466 CB LEU A 29 -2.472 -2.392 -18.565 1.00 0.00 C ATOM 467 CG LEU A 29 -3.561 -1.421 -18.105 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.405 -0.943 -19.289 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.421 -2.043 -17.004 1.00 0.00 C ATOM 0 H LEU A 29 0.054 -3.369 -17.972 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.613 -3.239 -16.641 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.613 -1.811 -18.901 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.844 -2.941 -19.430 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.077 -0.543 -17.678 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.172 -0.254 -18.935 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.765 -0.434 -20.010 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.880 -1.800 -19.767 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.187 -1.332 -16.695 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.897 -2.948 -17.382 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.793 -2.293 -16.149 1.00 0.00 H new ATOM 481 N HIS A 30 -3.060 -5.543 -17.212 1.00 0.00 N ATOM 482 CA HIS A 30 -3.347 -6.938 -17.497 1.00 0.00 C ATOM 483 C HIS A 30 -2.127 -7.794 -17.154 1.00 0.00 C ATOM 484 O HIS A 30 -2.194 -8.652 -16.275 1.00 0.00 O ATOM 485 CB HIS A 30 -3.806 -7.113 -18.946 1.00 0.00 C ATOM 486 CG HIS A 30 -4.372 -8.480 -19.251 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.608 -9.509 -19.769 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.636 -8.974 -19.104 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.386 -10.570 -19.924 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.642 -10.237 -19.511 1.00 0.00 N ATOM 0 H HIS A 30 -3.575 -5.154 -16.422 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.173 -7.278 -16.872 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.562 -6.360 -19.170 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.962 -6.925 -19.609 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.487 -8.429 -18.721 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.079 -11.531 -20.310 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.452 -10.856 -19.514 1.00 0.00 H new ATOM 499 N TYR A 31 -1.041 -7.532 -17.866 1.00 0.00 N ATOM 500 CA TYR A 31 0.193 -8.267 -17.647 1.00 0.00 C ATOM 501 C TYR A 31 1.340 -7.669 -18.464 1.00 0.00 C ATOM 502 O TYR A 31 2.418 -8.257 -18.551 1.00 0.00 O ATOM 503 CB TYR A 31 -0.075 -9.693 -18.134 1.00 0.00 C ATOM 504 CG TYR A 31 0.875 -10.162 -19.239 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.099 -10.708 -18.910 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.507 -10.039 -20.563 1.00 0.00 C ATOM 507 CE1 TYR A 31 2.993 -11.148 -19.949 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.401 -10.481 -21.601 1.00 0.00 C ATOM 509 CZ TYR A 31 2.600 -11.013 -21.243 1.00 0.00 C ATOM 510 OH TYR A 31 3.445 -11.430 -22.226 1.00 0.00 O ATOM 0 H TYR A 31 -0.990 -6.821 -18.595 1.00 0.00 H new ATOM 0 HA TYR A 31 0.481 -8.230 -16.596 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.003 -10.376 -17.288 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.100 -9.755 -18.500 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.386 -10.805 -17.873 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.451 -9.612 -20.820 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.954 -11.576 -19.706 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.125 -10.392 -22.641 1.00 0.00 H new ATOM 0 HH TYR A 31 4.367 -11.202 -21.984 1.00 0.00 H new ATOM 520 N LYS A 32 1.070 -6.507 -19.042 1.00 0.00 N ATOM 521 CA LYS A 32 2.066 -5.823 -19.848 1.00 0.00 C ATOM 522 C LYS A 32 2.312 -4.427 -19.271 1.00 0.00 C ATOM 523 O LYS A 32 1.464 -3.887 -18.561 1.00 0.00 O ATOM 524 CB LYS A 32 1.650 -5.815 -21.320 1.00 0.00 C ATOM 525 CG LYS A 32 1.186 -7.204 -21.766 1.00 0.00 C ATOM 526 CD LYS A 32 -0.328 -7.232 -21.987 1.00 0.00 C ATOM 527 CE LYS A 32 -0.686 -8.047 -23.231 1.00 0.00 C ATOM 528 NZ LYS A 32 -2.120 -7.890 -23.558 1.00 0.00 N ATOM 0 H LYS A 32 0.176 -6.022 -18.968 1.00 0.00 H new ATOM 0 HA LYS A 32 3.016 -6.355 -19.812 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.847 -5.094 -21.471 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.489 -5.492 -21.937 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.697 -7.483 -22.687 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.461 -7.942 -21.013 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.819 -7.661 -21.113 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.702 -6.214 -22.095 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.077 -7.721 -24.074 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.459 -9.099 -23.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.346 -8.450 -24.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.697 -8.223 -22.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.327 -6.887 -23.740 1.00 0.00 H new ATOM 542 N VAL A 33 3.475 -3.884 -19.597 1.00 0.00 N ATOM 543 CA VAL A 33 3.843 -2.561 -19.121 1.00 0.00 C ATOM 544 C VAL A 33 3.741 -1.561 -20.274 1.00 0.00 C ATOM 545 O VAL A 33 4.172 -1.849 -21.389 1.00 0.00 O ATOM 546 CB VAL A 33 5.234 -2.602 -18.486 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.157 -3.051 -17.025 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.177 -3.503 -19.288 1.00 0.00 C ATOM 0 H VAL A 33 4.175 -4.336 -20.185 1.00 0.00 H new ATOM 0 HA VAL A 33 3.155 -2.230 -18.343 1.00 0.00 H new ATOM 0 HB VAL A 33 5.641 -1.591 -18.505 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.159 -3.072 -16.597 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.537 -2.354 -16.462 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.720 -4.048 -16.973 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.159 -3.514 -18.815 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.776 -4.516 -19.316 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.268 -3.121 -20.305 1.00 0.00 H new ATOM 558 N TYR A 34 3.167 -0.407 -19.966 1.00 0.00 N ATOM 559 CA TYR A 34 3.003 0.637 -20.964 1.00 0.00 C ATOM 560 C TYR A 34 3.648 1.945 -20.500 1.00 0.00 C ATOM 561 O TYR A 34 3.832 2.160 -19.303 1.00 0.00 O ATOM 562 CB TYR A 34 1.495 0.850 -21.108 1.00 0.00 C ATOM 563 CG TYR A 34 0.702 -0.441 -21.327 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.610 -1.375 -20.316 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.080 -0.671 -22.538 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.134 -2.590 -20.522 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.666 -1.885 -22.744 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.736 -2.786 -21.726 1.00 0.00 C ATOM 569 OH TYR A 34 -1.441 -3.933 -21.921 1.00 0.00 O ATOM 0 H TYR A 34 2.810 -0.172 -19.040 1.00 0.00 H new ATOM 0 HA TYR A 34 3.476 0.348 -21.903 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.121 1.346 -20.212 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.312 1.523 -21.945 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.097 -1.194 -19.369 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.153 0.059 -23.330 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.212 -3.329 -19.738 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.159 -2.077 -23.685 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.444 -4.459 -21.094 1.00 0.00 H new ATOM 579 N ASP A 35 3.975 2.783 -21.472 1.00 0.00 N ATOM 580 CA ASP A 35 4.597 4.063 -21.178 1.00 0.00 C ATOM 581 C ASP A 35 3.507 5.115 -20.959 1.00 0.00 C ATOM 582 O ASP A 35 3.041 5.739 -21.912 1.00 0.00 O ATOM 583 CB ASP A 35 5.476 4.528 -22.339 1.00 0.00 C ATOM 584 CG ASP A 35 6.638 5.441 -21.947 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.559 6.015 -20.839 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.579 5.547 -22.763 1.00 0.00 O ATOM 0 H ASP A 35 3.821 2.601 -22.464 1.00 0.00 H new ATOM 0 HA ASP A 35 5.212 3.942 -20.286 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.879 3.650 -22.844 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.850 5.052 -23.061 1.00 0.00 H new ATOM 591 N LEU A 36 3.132 5.279 -19.700 1.00 0.00 N ATOM 592 CA LEU A 36 2.106 6.245 -19.344 1.00 0.00 C ATOM 593 C LEU A 36 2.571 7.647 -19.744 1.00 0.00 C ATOM 594 O LEU A 36 1.760 8.487 -20.133 1.00 0.00 O ATOM 595 CB LEU A 36 1.741 6.118 -17.864 1.00 0.00 C ATOM 596 CG LEU A 36 0.832 4.943 -17.496 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.141 5.183 -16.152 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.172 4.655 -18.613 1.00 0.00 C ATOM 0 H LEU A 36 3.520 4.759 -18.913 1.00 0.00 H new ATOM 0 HA LEU A 36 1.187 6.044 -19.894 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.663 6.032 -17.289 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.254 7.041 -17.550 1.00 0.00 H new ATOM 0 HG LEU A 36 1.453 4.054 -17.384 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.499 4.333 -15.915 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.893 5.300 -15.372 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.464 6.087 -16.211 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.805 3.816 -18.326 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.791 5.536 -18.782 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.364 4.408 -19.529 1.00 0.00 H new ATOM 610 N THR A 37 3.875 7.857 -19.635 1.00 0.00 N ATOM 611 CA THR A 37 4.456 9.143 -19.981 1.00 0.00 C ATOM 612 C THR A 37 3.750 9.738 -21.201 1.00 0.00 C ATOM 613 O THR A 37 3.657 10.956 -21.336 1.00 0.00 O ATOM 614 CB THR A 37 5.959 8.942 -20.186 1.00 0.00 C ATOM 615 OG1 THR A 37 6.455 8.666 -18.879 1.00 0.00 O ATOM 616 CG2 THR A 37 6.673 10.233 -20.590 1.00 0.00 C ATOM 0 H THR A 37 4.545 7.159 -19.312 1.00 0.00 H new ATOM 0 HA THR A 37 4.316 9.868 -19.180 1.00 0.00 H new ATOM 0 HB THR A 37 6.122 8.183 -20.951 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.435 8.679 -18.891 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.737 10.034 -20.723 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.254 10.603 -21.525 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.538 10.983 -19.810 1.00 0.00 H new ATOM 624 N LYS A 38 3.273 8.848 -22.060 1.00 0.00 N ATOM 625 CA LYS A 38 2.580 9.269 -23.264 1.00 0.00 C ATOM 626 C LYS A 38 1.107 9.525 -22.937 1.00 0.00 C ATOM 627 O LYS A 38 0.570 10.585 -23.258 1.00 0.00 O ATOM 628 CB LYS A 38 2.791 8.252 -24.388 1.00 0.00 C ATOM 629 CG LYS A 38 1.643 8.304 -25.399 1.00 0.00 C ATOM 630 CD LYS A 38 1.853 9.435 -26.409 1.00 0.00 C ATOM 631 CE LYS A 38 0.907 10.604 -26.128 1.00 0.00 C ATOM 632 NZ LYS A 38 0.772 11.461 -27.328 1.00 0.00 N ATOM 0 H LYS A 38 3.353 7.838 -21.945 1.00 0.00 H new ATOM 0 HA LYS A 38 2.994 10.208 -23.632 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.735 8.455 -24.894 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.864 7.249 -23.967 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.572 7.351 -25.924 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.698 8.450 -24.875 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.886 9.780 -26.365 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.685 9.061 -27.419 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.071 10.225 -25.832 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.286 11.194 -25.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.127 12.250 -27.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.705 11.837 -27.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.390 10.899 -28.115 1.00 0.00 H new ATOM 646 N PHE A 39 0.495 8.537 -22.301 1.00 0.00 N ATOM 647 CA PHE A 39 -0.905 8.642 -21.926 1.00 0.00 C ATOM 648 C PHE A 39 -1.120 9.772 -20.917 1.00 0.00 C ATOM 649 O PHE A 39 -2.250 10.206 -20.696 1.00 0.00 O ATOM 650 CB PHE A 39 -1.296 7.313 -21.275 1.00 0.00 C ATOM 651 CG PHE A 39 -0.881 6.080 -22.081 1.00 0.00 C ATOM 652 CD1 PHE A 39 -0.384 6.226 -23.339 1.00 0.00 C ATOM 653 CD2 PHE A 39 -1.012 4.838 -21.540 1.00 0.00 C ATOM 654 CE1 PHE A 39 0.000 5.082 -24.086 1.00 0.00 C ATOM 655 CE2 PHE A 39 -0.627 3.694 -22.289 1.00 0.00 C ATOM 656 CZ PHE A 39 -0.129 3.841 -23.546 1.00 0.00 C ATOM 0 H PHE A 39 0.943 7.660 -22.036 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.510 8.857 -22.807 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.842 7.257 -20.286 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.376 7.294 -21.132 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.282 7.212 -23.769 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.408 4.722 -20.542 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.395 5.197 -25.084 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.730 2.708 -21.860 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.164 2.971 -24.116 1.00 0.00 H new ATOM 666 N LEU A 40 -0.018 10.218 -20.333 1.00 0.00 N ATOM 667 CA LEU A 40 -0.070 11.290 -19.353 1.00 0.00 C ATOM 668 C LEU A 40 -0.961 12.414 -19.883 1.00 0.00 C ATOM 669 O LEU A 40 -2.109 12.553 -19.462 1.00 0.00 O ATOM 670 CB LEU A 40 1.342 11.746 -18.983 1.00 0.00 C ATOM 671 CG LEU A 40 2.044 10.937 -17.889 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.276 11.677 -17.367 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.071 10.577 -16.765 1.00 0.00 C ATOM 0 H LEU A 40 0.917 9.856 -20.520 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.519 10.938 -18.424 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.959 11.717 -19.881 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.294 12.787 -18.663 1.00 0.00 H new ATOM 0 HG LEU A 40 2.392 10.001 -18.325 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.757 11.081 -16.591 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.977 11.840 -18.186 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.974 12.638 -16.952 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.594 10.003 -16.001 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.672 11.490 -16.323 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.252 9.982 -17.169 1.00 0.00 H new ATOM 685 N GLU A 41 -0.400 13.191 -20.797 1.00 0.00 N ATOM 686 CA GLU A 41 -1.129 14.300 -21.389 1.00 0.00 C ATOM 687 C GLU A 41 -2.592 13.914 -21.612 1.00 0.00 C ATOM 688 O GLU A 41 -3.487 14.454 -20.963 1.00 0.00 O ATOM 689 CB GLU A 41 -0.475 14.751 -22.696 1.00 0.00 C ATOM 690 CG GLU A 41 -0.151 16.246 -22.660 1.00 0.00 C ATOM 691 CD GLU A 41 -0.625 16.942 -23.937 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.172 16.512 -25.019 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.432 17.888 -23.802 1.00 0.00 O ATOM 0 H GLU A 41 0.552 13.075 -21.143 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.097 15.141 -20.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.439 14.181 -22.865 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.142 14.540 -23.532 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.628 16.704 -21.794 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.924 16.386 -22.543 1.00 0.00 H new ATOM 700 N GLU A 42 -2.791 12.981 -22.532 1.00 0.00 N ATOM 701 CA GLU A 42 -4.131 12.516 -22.849 1.00 0.00 C ATOM 702 C GLU A 42 -4.849 12.059 -21.577 1.00 0.00 C ATOM 703 O GLU A 42 -4.367 12.292 -20.470 1.00 0.00 O ATOM 704 CB GLU A 42 -4.090 11.394 -23.889 1.00 0.00 C ATOM 705 CG GLU A 42 -4.387 11.934 -25.289 1.00 0.00 C ATOM 706 CD GLU A 42 -5.886 12.179 -25.475 1.00 0.00 C ATOM 707 OE1 GLU A 42 -6.663 11.292 -25.060 1.00 0.00 O ATOM 708 OE2 GLU A 42 -6.222 13.249 -26.029 1.00 0.00 O ATOM 0 H GLU A 42 -2.047 12.535 -23.068 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.690 13.346 -23.280 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.109 10.919 -23.879 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.818 10.626 -23.629 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.840 12.864 -25.448 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.035 11.225 -26.038 1.00 0.00 H new ATOM 715 N HIS A 43 -5.990 11.416 -21.779 1.00 0.00 N ATOM 716 CA HIS A 43 -6.779 10.924 -20.662 1.00 0.00 C ATOM 717 C HIS A 43 -7.762 12.008 -20.212 1.00 0.00 C ATOM 718 O HIS A 43 -7.361 13.136 -19.931 1.00 0.00 O ATOM 719 CB HIS A 43 -5.873 10.437 -19.530 1.00 0.00 C ATOM 720 CG HIS A 43 -6.345 9.163 -18.871 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.578 8.013 -18.828 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.514 8.872 -18.229 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.263 7.078 -18.186 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.462 7.612 -17.817 1.00 0.00 N ATOM 0 H HIS A 43 -6.387 11.224 -22.699 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.364 10.060 -20.977 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.869 10.280 -19.924 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.800 11.219 -18.775 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.644 7.903 -19.223 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.340 9.552 -18.082 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.930 6.070 -17.989 1.00 0.00 H new ATOM 733 N PRO A 44 -9.062 11.615 -20.156 1.00 0.00 N ATOM 734 CA PRO A 44 -10.105 12.540 -19.744 1.00 0.00 C ATOM 735 C PRO A 44 -10.073 12.766 -18.231 1.00 0.00 C ATOM 736 O PRO A 44 -10.899 13.499 -17.690 1.00 0.00 O ATOM 737 CB PRO A 44 -11.403 11.908 -20.221 1.00 0.00 C ATOM 738 CG PRO A 44 -11.086 10.442 -20.468 1.00 0.00 C ATOM 739 CD PRO A 44 -9.574 10.288 -20.482 1.00 0.00 C ATOM 0 HA PRO A 44 -9.978 13.533 -20.174 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.189 12.017 -19.473 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.760 12.389 -21.131 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.526 9.820 -19.689 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.512 10.114 -21.416 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.245 9.547 -19.754 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.219 9.956 -21.458 1.00 0.00 H new ATOM 747 N GLY A 45 -9.107 12.124 -17.590 1.00 0.00 N ATOM 748 CA GLY A 45 -8.954 12.246 -16.151 1.00 0.00 C ATOM 749 C GLY A 45 -7.802 13.190 -15.798 1.00 0.00 C ATOM 750 O GLY A 45 -7.960 14.085 -14.971 1.00 0.00 O ATOM 0 H GLY A 45 -8.422 11.518 -18.042 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.880 12.618 -15.714 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.769 11.263 -15.717 1.00 0.00 H new ATOM 754 N GLY A 46 -6.670 12.956 -16.445 1.00 0.00 N ATOM 755 CA GLY A 46 -5.492 13.775 -16.211 1.00 0.00 C ATOM 756 C GLY A 46 -4.243 12.905 -16.056 1.00 0.00 C ATOM 757 O GLY A 46 -4.329 11.762 -15.610 1.00 0.00 O ATOM 0 H GLY A 46 -6.543 12.212 -17.131 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.356 14.469 -17.041 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.635 14.376 -15.313 1.00 0.00 H new ATOM 761 N GLU A 47 -3.110 13.479 -16.432 1.00 0.00 N ATOM 762 CA GLU A 47 -1.844 12.772 -16.340 1.00 0.00 C ATOM 763 C GLU A 47 -1.819 11.891 -15.089 1.00 0.00 C ATOM 764 O GLU A 47 -1.448 10.720 -15.158 1.00 0.00 O ATOM 765 CB GLU A 47 -0.668 13.748 -16.347 1.00 0.00 C ATOM 766 CG GLU A 47 -0.660 14.589 -17.625 1.00 0.00 C ATOM 767 CD GLU A 47 -0.794 16.079 -17.304 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.874 16.458 -16.801 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.188 16.806 -17.566 1.00 0.00 O ATOM 0 H GLU A 47 -3.042 14.427 -16.802 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.744 12.130 -17.215 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.729 14.402 -15.477 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.268 13.196 -16.265 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.265 14.414 -18.174 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.479 14.278 -18.274 1.00 0.00 H new ATOM 776 N GLU A 48 -2.217 12.489 -13.975 1.00 0.00 N ATOM 777 CA GLU A 48 -2.244 11.774 -12.710 1.00 0.00 C ATOM 778 C GLU A 48 -2.965 10.435 -12.873 1.00 0.00 C ATOM 779 O GLU A 48 -2.445 9.392 -12.479 1.00 0.00 O ATOM 780 CB GLU A 48 -2.898 12.620 -11.617 1.00 0.00 C ATOM 781 CG GLU A 48 -2.033 12.648 -10.356 1.00 0.00 C ATOM 782 CD GLU A 48 -2.030 14.042 -9.724 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.623 14.986 -10.435 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.435 14.131 -8.545 1.00 0.00 O ATOM 0 H GLU A 48 -2.523 13.460 -13.922 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.217 11.576 -12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.050 13.636 -11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.882 12.216 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.408 11.920 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.013 12.355 -10.604 1.00 0.00 H new ATOM 791 N VAL A 49 -4.153 10.505 -13.457 1.00 0.00 N ATOM 792 CA VAL A 49 -4.952 9.311 -13.676 1.00 0.00 C ATOM 793 C VAL A 49 -4.031 8.151 -14.055 1.00 0.00 C ATOM 794 O VAL A 49 -4.325 6.994 -13.751 1.00 0.00 O ATOM 795 CB VAL A 49 -6.028 9.589 -14.728 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.427 9.613 -16.135 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.162 8.566 -14.634 1.00 0.00 C ATOM 0 H VAL A 49 -4.581 11.371 -13.785 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.475 9.026 -12.763 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.447 10.575 -14.526 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.213 9.812 -16.863 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.671 10.396 -16.194 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.969 8.648 -16.351 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.914 8.786 -15.392 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.763 7.565 -14.798 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.618 8.618 -13.645 1.00 0.00 H new ATOM 807 N LEU A 50 -2.934 8.496 -14.714 1.00 0.00 N ATOM 808 CA LEU A 50 -1.969 7.498 -15.138 1.00 0.00 C ATOM 809 C LEU A 50 -0.769 7.519 -14.188 1.00 0.00 C ATOM 810 O LEU A 50 -0.185 6.476 -13.896 1.00 0.00 O ATOM 811 CB LEU A 50 -1.595 7.703 -16.607 1.00 0.00 C ATOM 812 CG LEU A 50 -2.750 7.651 -17.607 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.690 8.833 -18.577 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.782 6.309 -18.341 1.00 0.00 C ATOM 0 H LEU A 50 -2.693 9.455 -14.965 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.404 6.500 -15.081 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.100 8.669 -16.704 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.866 6.942 -16.885 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.684 7.736 -17.052 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.523 8.772 -19.277 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.754 9.766 -18.018 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.750 8.804 -19.128 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.613 6.300 -19.046 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.846 6.168 -18.882 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.909 5.502 -17.619 1.00 0.00 H new ATOM 826 N ARG A 51 -0.437 8.718 -13.734 1.00 0.00 N ATOM 827 CA ARG A 51 0.682 8.889 -12.823 1.00 0.00 C ATOM 828 C ARG A 51 0.390 8.205 -11.488 1.00 0.00 C ATOM 829 O ARG A 51 1.256 7.538 -10.924 1.00 0.00 O ATOM 830 CB ARG A 51 0.972 10.371 -12.578 1.00 0.00 C ATOM 831 CG ARG A 51 2.477 10.643 -12.567 1.00 0.00 C ATOM 832 CD ARG A 51 2.886 11.413 -11.310 1.00 0.00 C ATOM 833 NE ARG A 51 3.711 12.584 -11.681 1.00 0.00 N ATOM 834 CZ ARG A 51 4.208 13.463 -10.799 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.966 13.309 -9.490 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.947 14.496 -11.226 1.00 0.00 N ATOM 0 H ARG A 51 -0.923 9.580 -13.980 1.00 0.00 H new ATOM 0 HA ARG A 51 1.557 8.431 -13.284 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.497 10.971 -13.354 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.537 10.677 -11.627 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.021 9.700 -12.613 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.753 11.214 -13.453 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.998 11.740 -10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.446 10.761 -10.640 1.00 0.00 H new ATOM 0 HE ARG A 51 3.914 12.732 -12.670 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.404 12.523 -9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.344 13.978 -8.819 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.132 14.614 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.325 15.165 -10.555 1.00 0.00 H new ATOM 850 N GLU A 52 -0.835 8.394 -11.018 1.00 0.00 N ATOM 851 CA GLU A 52 -1.253 7.803 -9.759 1.00 0.00 C ATOM 852 C GLU A 52 -1.180 6.277 -9.837 1.00 0.00 C ATOM 853 O GLU A 52 -1.143 5.601 -8.810 1.00 0.00 O ATOM 854 CB GLU A 52 -2.662 8.265 -9.376 1.00 0.00 C ATOM 855 CG GLU A 52 -3.689 7.804 -10.411 1.00 0.00 C ATOM 856 CD GLU A 52 -4.898 7.157 -9.732 1.00 0.00 C ATOM 857 OE1 GLU A 52 -4.671 6.198 -8.963 1.00 0.00 O ATOM 858 OE2 GLU A 52 -6.022 7.636 -9.998 1.00 0.00 O ATOM 0 H GLU A 52 -1.551 8.948 -11.487 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.570 8.140 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.925 7.868 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.683 9.352 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.015 8.655 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.227 7.092 -11.095 1.00 0.00 H new ATOM 865 N GLN A 53 -1.161 5.781 -11.064 1.00 0.00 N ATOM 866 CA GLN A 53 -1.093 4.347 -11.291 1.00 0.00 C ATOM 867 C GLN A 53 0.325 3.941 -11.696 1.00 0.00 C ATOM 868 O GLN A 53 0.722 2.791 -11.516 1.00 0.00 O ATOM 869 CB GLN A 53 -2.111 3.908 -12.344 1.00 0.00 C ATOM 870 CG GLN A 53 -1.882 4.643 -13.668 1.00 0.00 C ATOM 871 CD GLN A 53 -2.926 4.234 -14.708 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.761 3.280 -15.450 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.009 5.008 -14.722 1.00 0.00 N ATOM 0 H GLN A 53 -1.191 6.346 -11.913 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.344 3.840 -10.359 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.034 2.832 -12.503 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.121 4.106 -11.984 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.929 5.719 -13.504 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.883 4.421 -14.043 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.084 5.792 -14.073 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.764 4.817 -15.381 1.00 0.00 H new ATOM 882 N ALA A 54 1.052 4.907 -12.238 1.00 0.00 N ATOM 883 CA ALA A 54 2.417 4.664 -12.671 1.00 0.00 C ATOM 884 C ALA A 54 3.270 4.276 -11.462 1.00 0.00 C ATOM 885 O ALA A 54 3.357 5.028 -10.492 1.00 0.00 O ATOM 886 CB ALA A 54 2.954 5.906 -13.388 1.00 0.00 C ATOM 0 H ALA A 54 0.721 5.860 -12.387 1.00 0.00 H new ATOM 0 HA ALA A 54 2.453 3.836 -13.379 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.978 5.724 -13.713 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.331 6.123 -14.256 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.935 6.756 -12.706 1.00 0.00 H new ATOM 892 N GLY A 55 3.877 3.102 -11.559 1.00 0.00 N ATOM 893 CA GLY A 55 4.720 2.604 -10.485 1.00 0.00 C ATOM 894 C GLY A 55 4.303 1.192 -10.071 1.00 0.00 C ATOM 895 O GLY A 55 4.685 0.716 -9.003 1.00 0.00 O ATOM 0 H GLY A 55 3.802 2.481 -12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.761 2.600 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.655 3.273 -9.627 1.00 0.00 H new ATOM 899 N GLY A 56 3.524 0.561 -10.937 1.00 0.00 N ATOM 900 CA GLY A 56 3.050 -0.788 -10.676 1.00 0.00 C ATOM 901 C GLY A 56 1.835 -1.121 -11.542 1.00 0.00 C ATOM 902 O GLY A 56 1.464 -0.344 -12.421 1.00 0.00 O ATOM 0 H GLY A 56 3.209 0.959 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.849 -1.502 -10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.788 -0.887 -9.623 1.00 0.00 H new ATOM 906 N ASP A 57 1.248 -2.276 -11.264 1.00 0.00 N ATOM 907 CA ASP A 57 0.082 -2.720 -12.008 1.00 0.00 C ATOM 908 C ASP A 57 -1.048 -1.706 -11.831 1.00 0.00 C ATOM 909 O ASP A 57 -1.347 -1.293 -10.711 1.00 0.00 O ATOM 910 CB ASP A 57 -0.413 -4.075 -11.497 1.00 0.00 C ATOM 911 CG ASP A 57 -1.931 -4.262 -11.527 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.590 -3.703 -10.624 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.399 -4.960 -12.454 1.00 0.00 O ATOM 0 H ASP A 57 1.558 -2.917 -10.534 1.00 0.00 H new ATOM 0 HA ASP A 57 0.365 -2.811 -13.057 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.047 -4.862 -12.095 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.066 -4.209 -10.473 1.00 0.00 H new ATOM 918 N ALA A 58 -1.647 -1.333 -12.952 1.00 0.00 N ATOM 919 CA ALA A 58 -2.739 -0.374 -12.934 1.00 0.00 C ATOM 920 C ALA A 58 -4.048 -1.092 -13.273 1.00 0.00 C ATOM 921 O ALA A 58 -5.131 -0.553 -13.051 1.00 0.00 O ATOM 922 CB ALA A 58 -2.431 0.769 -13.903 1.00 0.00 C ATOM 0 H ALA A 58 -1.397 -1.677 -13.879 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.851 0.063 -11.942 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.250 1.488 -13.889 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.508 1.264 -13.600 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.315 0.370 -14.911 1.00 0.00 H new ATOM 928 N THR A 59 -3.904 -2.295 -13.807 1.00 0.00 N ATOM 929 CA THR A 59 -5.061 -3.090 -14.179 1.00 0.00 C ATOM 930 C THR A 59 -6.068 -3.142 -13.028 1.00 0.00 C ATOM 931 O THR A 59 -7.217 -2.736 -13.184 1.00 0.00 O ATOM 932 CB THR A 59 -4.565 -4.472 -14.616 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.210 -4.694 -15.866 1.00 0.00 O ATOM 934 CG2 THR A 59 -5.092 -5.593 -13.719 1.00 0.00 C ATOM 0 H THR A 59 -3.004 -2.739 -13.991 1.00 0.00 H new ATOM 0 HA THR A 59 -5.596 -2.640 -15.016 1.00 0.00 H new ATOM 0 HB THR A 59 -3.475 -4.485 -14.610 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.048 -4.187 -15.896 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.711 -6.551 -14.072 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.760 -5.426 -12.694 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.182 -5.602 -13.750 1.00 0.00 H new ATOM 942 N GLU A 60 -5.597 -3.645 -11.897 1.00 0.00 N ATOM 943 CA GLU A 60 -6.440 -3.755 -10.719 1.00 0.00 C ATOM 944 C GLU A 60 -7.376 -2.549 -10.622 1.00 0.00 C ATOM 945 O GLU A 60 -8.499 -2.668 -10.133 1.00 0.00 O ATOM 946 CB GLU A 60 -5.596 -3.897 -9.450 1.00 0.00 C ATOM 947 CG GLU A 60 -5.758 -5.289 -8.836 1.00 0.00 C ATOM 948 CD GLU A 60 -6.313 -5.200 -7.414 1.00 0.00 C ATOM 949 OE1 GLU A 60 -7.533 -4.957 -7.293 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.503 -5.376 -6.477 1.00 0.00 O ATOM 0 H GLU A 60 -4.642 -3.981 -11.771 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.047 -4.655 -10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.547 -3.719 -9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.893 -3.139 -8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.427 -5.887 -9.454 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.795 -5.799 -8.823 1.00 0.00 H new ATOM 957 N ASN A 61 -6.880 -1.415 -11.095 1.00 0.00 N ATOM 958 CA ASN A 61 -7.658 -0.188 -11.068 1.00 0.00 C ATOM 959 C ASN A 61 -8.439 -0.057 -12.377 1.00 0.00 C ATOM 960 O ASN A 61 -9.662 0.078 -12.364 1.00 0.00 O ATOM 961 CB ASN A 61 -6.751 1.037 -10.932 1.00 0.00 C ATOM 962 CG ASN A 61 -7.014 1.771 -9.618 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.047 2.392 -9.419 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.027 1.667 -8.732 1.00 0.00 N ATOM 0 H ASN A 61 -5.948 -1.320 -11.499 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.331 -0.233 -10.212 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.707 0.727 -10.977 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.919 1.713 -11.770 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.108 2.122 -7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.189 1.132 -8.962 1.00 0.00 H new ATOM 971 N PHE A 62 -7.701 -0.099 -13.476 1.00 0.00 N ATOM 972 CA PHE A 62 -8.309 0.014 -14.791 1.00 0.00 C ATOM 973 C PHE A 62 -9.522 -0.908 -14.916 1.00 0.00 C ATOM 974 O PHE A 62 -10.380 -0.699 -15.771 1.00 0.00 O ATOM 975 CB PHE A 62 -7.252 -0.413 -15.811 1.00 0.00 C ATOM 976 CG PHE A 62 -7.715 -1.518 -16.763 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.763 -2.808 -16.335 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.081 -1.209 -18.036 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.195 -3.832 -17.219 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.513 -2.234 -18.919 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.561 -3.524 -18.492 1.00 0.00 C ATOM 0 H PHE A 62 -6.687 -0.210 -13.483 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.646 1.037 -14.958 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.956 0.457 -16.397 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.365 -0.755 -15.278 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.473 -3.053 -15.324 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.043 -0.184 -18.375 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.233 -4.857 -16.880 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.803 -1.989 -19.930 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.890 -4.304 -19.163 1.00 0.00 H new ATOM 991 N GLU A 63 -9.556 -1.909 -14.048 1.00 0.00 N ATOM 992 CA GLU A 63 -10.652 -2.863 -14.050 1.00 0.00 C ATOM 993 C GLU A 63 -11.902 -2.238 -13.430 1.00 0.00 C ATOM 994 O GLU A 63 -12.995 -2.343 -13.988 1.00 0.00 O ATOM 995 CB GLU A 63 -10.261 -4.148 -13.316 1.00 0.00 C ATOM 996 CG GLU A 63 -9.815 -5.230 -14.302 1.00 0.00 C ATOM 997 CD GLU A 63 -10.746 -6.442 -14.244 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.965 -6.231 -14.423 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.217 -7.554 -14.021 1.00 0.00 O ATOM 0 H GLU A 63 -8.843 -2.080 -13.339 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.876 -3.126 -15.084 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.455 -3.938 -12.612 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.108 -4.510 -12.733 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.804 -4.823 -15.313 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.795 -5.539 -14.072 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.703 -1.602 -12.285 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.801 -0.960 -11.584 1.00 0.00 C ATOM 1008 C ASP A 64 -13.399 0.132 -12.473 1.00 0.00 C ATOM 1009 O ASP A 64 -14.609 0.345 -12.470 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.319 -0.304 -10.288 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.206 -0.556 -9.067 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.358 -0.072 -9.092 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.711 -1.227 -8.135 1.00 0.00 O ATOM 0 H ASP A 64 -10.796 -1.518 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.542 -1.723 -11.348 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.314 -0.664 -10.068 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.245 0.772 -10.449 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.520 0.795 -13.212 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.946 1.861 -14.103 1.00 0.00 C ATOM 1020 C VAL A 65 -13.427 1.254 -15.424 1.00 0.00 C ATOM 1021 O VAL A 65 -13.781 1.978 -16.352 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.814 2.872 -14.288 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.455 2.236 -13.987 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.838 3.472 -15.696 1.00 0.00 C ATOM 0 H VAL A 65 -11.516 0.614 -13.212 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.785 2.407 -13.671 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.970 3.682 -13.576 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.668 2.977 -14.126 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.440 1.880 -12.957 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.288 1.398 -14.663 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.023 4.188 -15.800 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.720 2.677 -16.432 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.789 3.979 -15.859 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.425 -0.071 -15.464 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.858 -0.783 -16.654 1.00 0.00 C ATOM 1036 C GLY A 66 -13.521 0.008 -17.919 1.00 0.00 C ATOM 1037 O GLY A 66 -14.389 0.667 -18.492 1.00 0.00 O ATOM 0 H GLY A 66 -13.131 -0.669 -14.692 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.377 -1.760 -16.693 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.933 -0.959 -16.606 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.261 -0.084 -18.318 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.800 0.616 -19.505 1.00 0.00 C ATOM 1043 C HIS A 67 -12.449 0.002 -20.748 1.00 0.00 C ATOM 1044 O HIS A 67 -13.194 -0.971 -20.646 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.272 0.619 -19.574 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.620 1.669 -18.704 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.316 1.453 -17.372 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.218 2.940 -18.992 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.757 2.552 -16.887 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.697 3.472 -17.892 1.00 0.00 N ATOM 0 H HIS A 67 -11.545 -0.632 -17.841 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.106 1.661 -19.457 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.903 -0.363 -19.279 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.965 0.777 -20.608 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.492 0.594 -16.852 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.308 3.430 -19.950 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.410 2.694 -15.874 1.00 0.00 H new ATOM 1059 N SER A 68 -12.141 0.595 -21.891 1.00 0.00 N ATOM 1060 CA SER A 68 -12.684 0.119 -23.152 1.00 0.00 C ATOM 1061 C SER A 68 -11.601 -0.618 -23.943 1.00 0.00 C ATOM 1062 O SER A 68 -10.412 -0.353 -23.769 1.00 0.00 O ATOM 1063 CB SER A 68 -13.253 1.273 -23.978 1.00 0.00 C ATOM 1064 OG SER A 68 -12.241 1.943 -24.728 1.00 0.00 O ATOM 0 H SER A 68 -11.522 1.402 -21.971 1.00 0.00 H new ATOM 0 HA SER A 68 -13.499 -0.571 -22.934 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.015 0.891 -24.658 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.745 1.985 -23.315 1.00 0.00 H new ATOM 0 HG SER A 68 -12.645 2.672 -25.243 1.00 0.00 H new ATOM 1070 N THR A 69 -12.051 -1.528 -24.794 1.00 0.00 N ATOM 1071 CA THR A 69 -11.135 -2.304 -25.614 1.00 0.00 C ATOM 1072 C THR A 69 -10.219 -1.377 -26.414 1.00 0.00 C ATOM 1073 O THR A 69 -9.123 -1.771 -26.810 1.00 0.00 O ATOM 1074 CB THR A 69 -11.965 -3.244 -26.489 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.253 -4.349 -25.637 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.148 -3.856 -27.629 1.00 0.00 C ATOM 0 H THR A 69 -13.038 -1.746 -24.934 1.00 0.00 H new ATOM 0 HA THR A 69 -10.471 -2.912 -24.999 1.00 0.00 H new ATOM 0 HB THR A 69 -12.814 -2.699 -26.902 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.791 -5.007 -26.125 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.784 -4.515 -28.220 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.759 -3.061 -28.265 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.318 -4.428 -27.215 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.702 -0.161 -26.630 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.940 0.824 -27.377 1.00 0.00 C ATOM 1086 C ASP A 70 -8.774 1.318 -26.519 1.00 0.00 C ATOM 1087 O ASP A 70 -7.624 1.293 -26.954 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.808 2.032 -27.738 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.125 3.077 -28.622 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -8.966 2.820 -29.013 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.777 4.112 -28.885 1.00 0.00 O ATOM 0 H ASP A 70 -11.611 0.163 -26.300 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.581 0.351 -28.291 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.704 1.677 -28.247 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.134 2.515 -26.817 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.111 1.759 -25.315 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.108 2.259 -24.393 1.00 0.00 C ATOM 1098 C ALA A 71 -6.983 1.229 -24.264 1.00 0.00 C ATOM 1099 O ALA A 71 -5.807 1.573 -24.377 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.763 2.578 -23.047 1.00 0.00 C ATOM 0 H ALA A 71 -10.066 1.780 -24.958 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.669 3.183 -24.768 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.009 2.953 -22.355 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.535 3.335 -23.188 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.213 1.673 -22.638 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.383 -0.011 -24.028 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.424 -1.093 -23.882 1.00 0.00 C ATOM 1108 C ARG A 72 -5.587 -1.235 -25.154 1.00 0.00 C ATOM 1109 O ARG A 72 -4.374 -1.435 -25.085 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.129 -2.419 -23.593 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.140 -2.266 -22.455 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.838 -3.595 -22.159 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.282 -3.490 -22.466 1.00 0.00 N ATOM 1114 CZ ARG A 72 -11.204 -4.372 -22.057 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.838 -5.432 -21.324 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -12.491 -4.196 -22.383 1.00 0.00 N ATOM 0 H ARG A 72 -8.359 -0.291 -23.934 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.775 -0.849 -23.041 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.638 -2.768 -24.492 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.392 -3.177 -23.330 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.633 -1.910 -21.558 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.882 -1.513 -22.722 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.389 -4.391 -22.753 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.699 -3.862 -21.111 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.595 -2.696 -23.024 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.858 -5.567 -21.077 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.540 -6.104 -21.013 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.770 -3.390 -22.943 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.192 -4.868 -22.071 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.265 -1.125 -26.287 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.599 -1.237 -27.573 1.00 0.00 C ATOM 1132 C GLU A 73 -4.559 -0.127 -27.732 1.00 0.00 C ATOM 1133 O GLU A 73 -3.396 -0.398 -28.027 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.612 -1.209 -28.719 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.921 -2.624 -29.214 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.054 -2.611 -30.241 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -7.952 -1.803 -31.188 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.998 -3.410 -30.054 1.00 0.00 O ATOM 0 H GLU A 73 -7.270 -0.959 -26.341 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.084 -2.197 -27.611 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.531 -0.728 -28.385 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.220 -0.610 -29.541 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.027 -3.060 -29.659 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.198 -3.256 -28.370 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.016 1.100 -27.529 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.139 2.253 -27.647 1.00 0.00 C ATOM 1147 C LEU A 74 -2.876 2.015 -26.816 1.00 0.00 C ATOM 1148 O LEU A 74 -1.776 2.373 -27.237 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.887 3.535 -27.274 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.540 4.141 -25.911 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.475 5.231 -26.053 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.795 4.655 -25.204 1.00 0.00 C ATOM 0 H LEU A 74 -5.981 1.321 -27.284 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.821 2.385 -28.681 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.692 4.283 -28.043 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.957 3.327 -27.296 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.117 3.356 -25.285 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.246 5.646 -25.071 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.571 4.802 -26.486 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.849 6.022 -26.703 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.520 5.080 -24.239 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.269 5.422 -25.816 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.491 3.830 -25.052 1.00 0.00 H new ATOM 1164 N SER A 75 -3.076 1.413 -25.653 1.00 0.00 N ATOM 1165 CA SER A 75 -1.966 1.122 -24.762 1.00 0.00 C ATOM 1166 C SER A 75 -1.019 0.114 -25.414 1.00 0.00 C ATOM 1167 O SER A 75 0.199 0.260 -25.338 1.00 0.00 O ATOM 1168 CB SER A 75 -2.464 0.591 -23.416 1.00 0.00 C ATOM 1169 OG SER A 75 -3.877 0.723 -23.280 1.00 0.00 O ATOM 0 H SER A 75 -3.989 1.119 -25.307 1.00 0.00 H new ATOM 0 HA SER A 75 -1.425 2.050 -24.578 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.186 -0.458 -23.315 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.970 1.131 -22.608 1.00 0.00 H new ATOM 0 HG SER A 75 -4.165 1.573 -23.673 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.616 -0.890 -26.041 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.842 -1.924 -26.707 1.00 0.00 C ATOM 1177 C LYS A 76 -0.010 -1.291 -27.824 1.00 0.00 C ATOM 1178 O LYS A 76 0.837 -1.952 -28.422 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.757 -3.054 -27.185 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.179 -2.838 -28.639 1.00 0.00 C ATOM 1181 CD LYS A 76 -1.388 -3.746 -29.582 1.00 0.00 C ATOM 1182 CE LYS A 76 -1.856 -3.575 -31.029 1.00 0.00 C ATOM 1183 NZ LYS A 76 -3.054 -4.407 -31.287 1.00 0.00 N ATOM 0 H LYS A 76 -2.627 -1.009 -26.102 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.142 -2.386 -26.010 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.241 -4.009 -27.090 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.641 -3.105 -26.549 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.245 -3.039 -28.745 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.022 -1.796 -28.916 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.325 -3.514 -29.510 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.508 -4.786 -29.278 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.085 -2.527 -31.222 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.055 -3.858 -31.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.359 -4.280 -32.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.824 -5.408 -31.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.821 -4.118 -30.647 1.00 0.00 H new ATOM 1197 N THR A 77 -0.281 -0.018 -28.072 1.00 0.00 N ATOM 1198 CA THR A 77 0.433 0.711 -29.107 1.00 0.00 C ATOM 1199 C THR A 77 1.676 1.385 -28.524 1.00 0.00 C ATOM 1200 O THR A 77 2.670 1.574 -29.222 1.00 0.00 O ATOM 1201 CB THR A 77 -0.546 1.694 -29.752 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.074 1.824 -31.091 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.423 3.106 -29.175 1.00 0.00 C ATOM 0 H THR A 77 -0.985 0.527 -27.574 1.00 0.00 H new ATOM 0 HA THR A 77 0.801 0.039 -29.883 1.00 0.00 H new ATOM 0 HB THR A 77 -1.566 1.334 -29.616 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.652 2.443 -31.583 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.139 3.764 -29.667 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.629 3.081 -28.105 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.587 3.480 -29.342 1.00 0.00 H new ATOM 1211 N PHE A 78 1.578 1.732 -27.248 1.00 0.00 N ATOM 1212 CA PHE A 78 2.683 2.381 -26.562 1.00 0.00 C ATOM 1213 C PHE A 78 3.327 1.440 -25.543 1.00 0.00 C ATOM 1214 O PHE A 78 4.076 1.879 -24.673 1.00 0.00 O ATOM 1215 CB PHE A 78 2.103 3.592 -25.827 1.00 0.00 C ATOM 1216 CG PHE A 78 2.515 4.939 -26.422 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.796 5.481 -27.441 1.00 0.00 C ATOM 1218 CD2 PHE A 78 3.601 5.595 -25.933 1.00 0.00 C ATOM 1219 CE1 PHE A 78 2.178 6.732 -27.994 1.00 0.00 C ATOM 1220 CE2 PHE A 78 3.984 6.845 -26.486 1.00 0.00 C ATOM 1221 CZ PHE A 78 3.264 7.387 -27.506 1.00 0.00 C ATOM 0 H PHE A 78 0.751 1.576 -26.672 1.00 0.00 H new ATOM 0 HA PHE A 78 3.449 2.670 -27.282 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.015 3.521 -25.834 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.418 3.556 -24.784 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.934 4.960 -27.830 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.172 5.165 -25.124 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.606 7.163 -28.802 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.847 7.366 -26.097 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.556 8.338 -27.927 1.00 0.00 H new ATOM 1231 N ILE A 79 3.008 0.162 -25.683 1.00 0.00 N ATOM 1232 CA ILE A 79 3.546 -0.847 -24.786 1.00 0.00 C ATOM 1233 C ILE A 79 5.068 -0.889 -24.927 1.00 0.00 C ATOM 1234 O ILE A 79 5.595 -0.822 -26.037 1.00 0.00 O ATOM 1235 CB ILE A 79 2.867 -2.197 -25.029 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.648 -2.368 -24.122 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.864 -3.346 -24.872 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.160 -3.818 -24.126 1.00 0.00 C ATOM 0 H ILE A 79 2.383 -0.198 -26.404 1.00 0.00 H new ATOM 0 HA ILE A 79 3.329 -0.590 -23.749 1.00 0.00 H new ATOM 0 HB ILE A 79 2.508 -2.220 -26.058 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.902 -2.069 -23.105 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.846 -1.710 -24.457 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.357 -4.294 -25.050 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.673 -3.227 -25.592 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.273 -3.337 -23.862 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.292 -3.912 -23.473 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.884 -4.106 -25.140 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.956 -4.471 -23.768 1.00 0.00 H new ATOM 1250 N ILE A 80 5.734 -1.002 -23.786 1.00 0.00 N ATOM 1251 CA ILE A 80 7.186 -1.054 -23.769 1.00 0.00 C ATOM 1252 C ILE A 80 7.637 -2.491 -23.495 1.00 0.00 C ATOM 1253 O ILE A 80 8.659 -2.934 -24.016 1.00 0.00 O ATOM 1254 CB ILE A 80 7.747 -0.033 -22.778 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.631 0.573 -21.924 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.564 1.040 -23.498 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.325 -0.311 -20.714 1.00 0.00 C ATOM 0 H ILE A 80 5.294 -1.059 -22.867 1.00 0.00 H new ATOM 0 HA ILE A 80 7.589 -0.773 -24.742 1.00 0.00 H new ATOM 0 HB ILE A 80 8.425 -0.552 -22.101 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.925 1.567 -21.587 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.731 0.694 -22.527 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.951 1.753 -22.770 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.396 0.572 -24.025 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.929 1.562 -24.214 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.529 0.143 -20.124 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.008 -1.297 -21.054 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.220 -0.410 -20.100 1.00 0.00 H new ATOM 1269 N GLY A 81 6.853 -3.176 -22.677 1.00 0.00 N ATOM 1270 CA GLY A 81 7.158 -4.553 -22.328 1.00 0.00 C ATOM 1271 C GLY A 81 6.018 -5.182 -21.524 1.00 0.00 C ATOM 1272 O GLY A 81 4.857 -4.816 -21.699 1.00 0.00 O ATOM 0 H GLY A 81 6.007 -2.804 -22.246 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.330 -5.132 -23.235 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.080 -4.589 -21.747 1.00 0.00 H new ATOM 1276 N GLU A 82 6.388 -6.115 -20.660 1.00 0.00 N ATOM 1277 CA GLU A 82 5.411 -6.796 -19.829 1.00 0.00 C ATOM 1278 C GLU A 82 6.042 -7.210 -18.498 1.00 0.00 C ATOM 1279 O GLU A 82 7.263 -7.198 -18.355 1.00 0.00 O ATOM 1280 CB GLU A 82 4.823 -8.008 -20.557 1.00 0.00 C ATOM 1281 CG GLU A 82 4.914 -7.834 -22.075 1.00 0.00 C ATOM 1282 CD GLU A 82 4.388 -9.074 -22.800 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.207 -9.994 -23.017 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.181 -9.074 -23.124 1.00 0.00 O ATOM 0 H GLU A 82 7.352 -6.416 -20.517 1.00 0.00 H new ATOM 0 HA GLU A 82 4.594 -6.105 -19.622 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.357 -8.910 -20.258 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.782 -8.142 -20.265 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.340 -6.959 -22.380 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.949 -7.652 -22.363 1.00 0.00 H new ATOM 1291 N LEU A 83 5.180 -7.565 -17.556 1.00 0.00 N ATOM 1292 CA LEU A 83 5.637 -7.980 -16.241 1.00 0.00 C ATOM 1293 C LEU A 83 6.372 -9.318 -16.360 1.00 0.00 C ATOM 1294 O LEU A 83 5.862 -10.257 -16.969 1.00 0.00 O ATOM 1295 CB LEU A 83 4.472 -8.005 -15.251 1.00 0.00 C ATOM 1296 CG LEU A 83 4.833 -8.307 -13.796 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.346 -8.228 -13.580 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.067 -7.391 -12.838 1.00 0.00 C ATOM 0 H LEU A 83 4.167 -7.574 -17.678 1.00 0.00 H new ATOM 0 HA LEU A 83 6.349 -7.258 -15.841 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.971 -7.038 -15.287 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.751 -8.750 -15.588 1.00 0.00 H new ATOM 0 HG LEU A 83 4.529 -9.330 -13.573 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.577 -8.447 -12.537 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.844 -8.955 -14.222 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.697 -7.226 -13.827 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.343 -7.627 -11.810 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.317 -6.352 -13.051 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.995 -7.541 -12.970 1.00 0.00 H new ATOM 1310 N HIS A 84 7.556 -9.361 -15.770 1.00 0.00 N ATOM 1311 CA HIS A 84 8.365 -10.567 -15.803 1.00 0.00 C ATOM 1312 C HIS A 84 7.835 -11.568 -14.773 1.00 0.00 C ATOM 1313 O HIS A 84 6.825 -11.316 -14.120 1.00 0.00 O ATOM 1314 CB HIS A 84 9.845 -10.236 -15.600 1.00 0.00 C ATOM 1315 CG HIS A 84 10.750 -10.777 -16.681 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.277 -11.209 -17.908 1.00 0.00 N ATOM 1317 CD2 HIS A 84 12.102 -10.950 -16.708 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.307 -11.623 -18.632 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.437 -11.461 -17.886 1.00 0.00 N ATOM 0 H HIS A 84 7.975 -8.580 -15.266 1.00 0.00 H new ATOM 0 HA HIS A 84 8.289 -11.033 -16.785 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.961 -9.153 -15.552 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.167 -10.634 -14.638 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.785 -10.711 -15.906 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.260 -12.019 -19.636 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.384 -11.694 -18.184 1.00 0.00 H new ATOM 1328 N PRO A 85 8.563 -12.711 -14.657 1.00 0.00 N ATOM 1329 CA PRO A 85 8.177 -13.751 -13.718 1.00 0.00 C ATOM 1330 C PRO A 85 8.519 -13.347 -12.284 1.00 0.00 C ATOM 1331 O PRO A 85 8.414 -14.159 -11.365 1.00 0.00 O ATOM 1332 CB PRO A 85 8.923 -14.994 -14.179 1.00 0.00 C ATOM 1333 CG PRO A 85 10.050 -14.497 -15.070 1.00 0.00 C ATOM 1334 CD PRO A 85 9.766 -13.044 -15.413 1.00 0.00 C ATOM 0 HA PRO A 85 7.102 -13.930 -13.706 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.315 -15.552 -13.329 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.261 -15.667 -14.725 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.009 -14.588 -14.560 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.113 -15.098 -15.977 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.600 -12.401 -15.132 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.609 -12.914 -16.484 1.00 0.00 H new ATOM 1342 N ASP A 86 8.919 -12.094 -12.133 1.00 0.00 N ATOM 1343 CA ASP A 86 9.277 -11.572 -10.825 1.00 0.00 C ATOM 1344 C ASP A 86 8.001 -11.287 -10.029 1.00 0.00 C ATOM 1345 O ASP A 86 8.023 -11.273 -8.799 1.00 0.00 O ATOM 1346 CB ASP A 86 10.058 -10.264 -10.948 1.00 0.00 C ATOM 1347 CG ASP A 86 9.748 -9.220 -9.875 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.166 -9.452 -8.719 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.099 -8.213 -10.232 1.00 0.00 O ATOM 0 H ASP A 86 9.003 -11.423 -12.897 1.00 0.00 H new ATOM 0 HA ASP A 86 9.897 -12.315 -10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.124 -10.491 -10.915 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.855 -9.828 -11.926 1.00 0.00 H new ATOM 1354 N ASP A 87 6.920 -11.066 -10.764 1.00 0.00 N ATOM 1355 CA ASP A 87 5.638 -10.783 -10.142 1.00 0.00 C ATOM 1356 C ASP A 87 4.549 -10.756 -11.216 1.00 0.00 C ATOM 1357 O ASP A 87 4.050 -9.692 -11.573 1.00 0.00 O ATOM 1358 CB ASP A 87 5.652 -9.418 -9.449 1.00 0.00 C ATOM 1359 CG ASP A 87 6.350 -9.391 -8.088 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.711 -9.840 -7.113 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.507 -8.918 -8.053 1.00 0.00 O ATOM 0 H ASP A 87 6.906 -11.077 -11.784 1.00 0.00 H new ATOM 0 HA ASP A 87 5.442 -11.561 -9.404 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.141 -8.699 -10.106 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.623 -9.083 -9.319 1.00 0.00 H new ATOM 1366 N ARG A 88 4.214 -11.943 -11.702 1.00 0.00 N ATOM 1367 CA ARG A 88 3.194 -12.070 -12.727 1.00 0.00 C ATOM 1368 C ARG A 88 1.809 -12.191 -12.087 1.00 0.00 C ATOM 1369 O ARG A 88 1.020 -11.248 -12.121 1.00 0.00 O ATOM 1370 CB ARG A 88 3.449 -13.294 -13.610 1.00 0.00 C ATOM 1371 CG ARG A 88 4.883 -13.294 -14.145 1.00 0.00 C ATOM 1372 CD ARG A 88 4.982 -12.494 -15.446 1.00 0.00 C ATOM 1373 NE ARG A 88 3.971 -12.976 -16.415 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.060 -14.137 -17.079 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.115 -14.941 -16.885 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.096 -14.492 -17.939 1.00 0.00 N ATOM 0 H ARG A 88 4.632 -12.825 -11.404 1.00 0.00 H new ATOM 0 HA ARG A 88 3.234 -11.174 -13.347 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.271 -14.204 -13.037 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.746 -13.299 -14.443 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.553 -12.867 -13.399 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.211 -14.319 -14.318 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.827 -11.434 -15.244 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.981 -12.595 -15.870 1.00 0.00 H new ATOM 0 HE ARG A 88 3.156 -12.388 -16.588 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.850 -14.669 -16.232 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.183 -15.824 -17.390 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.295 -13.879 -18.088 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.163 -15.375 -18.444 1.00 0.00 H new ATOM 1390 N SER A 89 1.556 -13.361 -11.518 1.00 0.00 N ATOM 1391 CA SER A 89 0.280 -13.618 -10.872 1.00 0.00 C ATOM 1392 C SER A 89 0.107 -12.689 -9.669 1.00 0.00 C ATOM 1393 O SER A 89 -0.964 -12.638 -9.068 1.00 0.00 O ATOM 1394 CB SER A 89 0.169 -15.079 -10.434 1.00 0.00 C ATOM 1395 OG SER A 89 -1.127 -15.390 -9.932 1.00 0.00 O ATOM 0 H SER A 89 2.213 -14.141 -11.491 1.00 0.00 H new ATOM 0 HA SER A 89 -0.514 -13.422 -11.592 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.396 -15.729 -11.279 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.914 -15.284 -9.665 1.00 0.00 H new ATOM 0 HG SER A 89 -1.502 -14.603 -9.485 1.00 0.00 H new ATOM 1401 N LYS A 90 1.179 -11.976 -9.352 1.00 0.00 N ATOM 1402 CA LYS A 90 1.158 -11.051 -8.231 1.00 0.00 C ATOM 1403 C LYS A 90 0.362 -9.803 -8.619 1.00 0.00 C ATOM 1404 O LYS A 90 -0.107 -9.069 -7.753 1.00 0.00 O ATOM 1405 CB LYS A 90 2.583 -10.750 -7.760 1.00 0.00 C ATOM 1406 CG LYS A 90 3.008 -11.714 -6.651 1.00 0.00 C ATOM 1407 CD LYS A 90 2.453 -11.272 -5.296 1.00 0.00 C ATOM 1408 CE LYS A 90 1.713 -12.419 -4.606 1.00 0.00 C ATOM 1409 NZ LYS A 90 1.972 -12.400 -3.148 1.00 0.00 N ATOM 0 H LYS A 90 2.067 -12.020 -9.852 1.00 0.00 H new ATOM 0 HA LYS A 90 0.651 -11.499 -7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.272 -10.830 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.641 -9.724 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.654 -12.719 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.096 -11.762 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.268 -10.926 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.776 -10.429 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.642 -12.333 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.034 -13.372 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.462 -13.185 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.992 -12.504 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.643 -11.498 -2.749 1.00 0.00 H new ATOM 1423 N ILE A 91 0.234 -9.604 -9.924 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.496 -8.457 -10.436 1.00 0.00 C ATOM 1425 C ILE A 91 -1.571 -8.941 -11.413 1.00 0.00 C ATOM 1426 O ILE A 91 -2.680 -8.409 -11.433 1.00 0.00 O ATOM 1427 CB ILE A 91 0.466 -7.434 -11.038 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.676 -7.689 -12.532 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.789 -7.407 -10.270 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.331 -6.482 -13.207 1.00 0.00 C ATOM 0 H ILE A 91 0.623 -10.217 -10.640 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.008 -7.937 -9.626 1.00 0.00 H new ATOM 0 HB ILE A 91 0.017 -6.446 -10.941 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.301 -8.571 -12.670 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.282 -7.900 -13.007 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.455 -6.671 -10.719 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.601 -7.140 -9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.255 -8.392 -10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.469 -6.689 -14.268 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.692 -5.607 -13.088 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.300 -6.289 -12.746 1.00 0.00 H new ATOM 1442 N THR A 92 -1.202 -9.940 -12.201 1.00 0.00 N ATOM 1443 CA THR A 92 -2.122 -10.499 -13.179 1.00 0.00 C ATOM 1444 C THR A 92 -3.565 -10.369 -12.689 1.00 0.00 C ATOM 1445 O THR A 92 -4.448 -9.971 -13.448 1.00 0.00 O ATOM 1446 CB THR A 92 -1.701 -11.945 -13.449 1.00 0.00 C ATOM 1447 OG1 THR A 92 -2.065 -12.164 -14.809 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.545 -12.957 -12.671 1.00 0.00 C ATOM 0 H THR A 92 -0.280 -10.377 -12.183 1.00 0.00 H new ATOM 0 HA THR A 92 -2.081 -9.951 -14.120 1.00 0.00 H new ATOM 0 HB THR A 92 -0.650 -12.071 -13.187 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.826 -13.078 -15.069 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.204 -13.967 -12.899 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.441 -12.772 -11.602 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.592 -12.854 -12.957 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.761 -10.710 -11.424 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.084 -10.636 -10.826 1.00 0.00 C ATOM 1458 C LYS A 93 -4.944 -10.514 -9.307 1.00 0.00 C ATOM 1459 O LYS A 93 -3.990 -11.027 -8.724 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.941 -11.822 -11.270 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.081 -11.363 -12.184 1.00 0.00 C ATOM 1462 CD LYS A 93 -8.302 -12.272 -12.035 1.00 0.00 C ATOM 1463 CE LYS A 93 -9.040 -11.988 -10.725 1.00 0.00 C ATOM 1464 NZ LYS A 93 -9.956 -13.102 -10.395 1.00 0.00 N ATOM 0 H LYS A 93 -3.027 -11.038 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.610 -9.746 -11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.320 -12.548 -11.794 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.352 -12.326 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.356 -10.336 -11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.745 -11.367 -13.221 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.977 -12.121 -12.877 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.988 -13.316 -12.061 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.321 -11.850 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.604 -11.059 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.449 -12.894 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.654 -13.215 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.410 -13.981 -10.291 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.936 -9.815 -8.693 1.00 0.00 N ATOM 1479 CA PRO A 94 -5.933 -9.619 -7.253 1.00 0.00 C ATOM 1480 C PRO A 94 -6.340 -10.902 -6.525 1.00 0.00 C ATOM 1481 O PRO A 94 -6.313 -11.986 -7.107 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.895 -8.468 -7.011 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.750 -8.367 -8.264 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.082 -9.194 -9.351 1.00 0.00 C ATOM 0 HA PRO A 94 -4.943 -9.382 -6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.512 -8.653 -6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.354 -7.539 -6.831 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.758 -8.734 -8.069 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.845 -7.328 -8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.763 -9.945 -9.752 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.768 -8.569 -10.187 1.00 0.00 H new ATOM 1492 N SER A 95 -6.708 -10.736 -5.263 1.00 0.00 N ATOM 1493 CA SER A 95 -7.120 -11.866 -4.449 1.00 0.00 C ATOM 1494 C SER A 95 -8.460 -11.567 -3.776 1.00 0.00 C ATOM 1495 O SER A 95 -9.410 -12.338 -3.902 1.00 0.00 O ATOM 1496 CB SER A 95 -6.061 -12.202 -3.397 1.00 0.00 C ATOM 1497 OG SER A 95 -6.239 -13.510 -2.859 1.00 0.00 O ATOM 0 H SER A 95 -6.729 -9.835 -4.785 1.00 0.00 H new ATOM 0 HA SER A 95 -7.234 -12.732 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.070 -12.125 -3.843 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.105 -11.469 -2.591 1.00 0.00 H new ATOM 0 HG SER A 95 -5.543 -13.687 -2.193 1.00 0.00 H new ATOM 1503 N GLU A 96 -8.495 -10.443 -3.074 1.00 0.00 N ATOM 1504 CA GLU A 96 -9.704 -10.031 -2.381 1.00 0.00 C ATOM 1505 C GLU A 96 -9.482 -8.690 -1.677 1.00 0.00 C ATOM 1506 O GLU A 96 -8.346 -8.239 -1.538 1.00 0.00 O ATOM 1507 CB GLU A 96 -10.158 -11.102 -1.387 1.00 0.00 C ATOM 1508 CG GLU A 96 -9.148 -11.257 -0.248 1.00 0.00 C ATOM 1509 CD GLU A 96 -9.678 -10.630 1.043 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -10.809 -10.995 1.428 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -8.939 -9.803 1.618 1.00 0.00 O ATOM 0 H GLU A 96 -7.706 -9.805 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.497 -9.906 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.133 -10.835 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.278 -12.054 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.939 -12.314 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.206 -10.785 -0.526 1.00 0.00 H new ATOM 1518 N SER A 97 -10.585 -8.090 -1.254 1.00 0.00 N ATOM 1519 CA SER A 97 -10.525 -6.811 -0.570 1.00 0.00 C ATOM 1520 C SER A 97 -11.636 -6.726 0.478 1.00 0.00 C ATOM 1521 O SER A 97 -12.557 -7.540 0.479 1.00 0.00 O ATOM 1522 CB SER A 97 -10.640 -5.650 -1.560 1.00 0.00 C ATOM 1523 OG SER A 97 -9.366 -5.231 -2.042 1.00 0.00 O ATOM 0 H SER A 97 -11.525 -8.467 -1.372 1.00 0.00 H new ATOM 0 HA SER A 97 -9.558 -6.734 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.265 -5.951 -2.401 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.139 -4.810 -1.077 1.00 0.00 H new ATOM 0 HG SER A 97 -8.735 -5.979 -1.990 1.00 0.00 H new ATOM 1529 N ILE A 98 -11.513 -5.731 1.345 1.00 0.00 N ATOM 1530 CA ILE A 98 -12.495 -5.529 2.397 1.00 0.00 C ATOM 1531 C ILE A 98 -12.600 -4.035 2.709 1.00 0.00 C ATOM 1532 O ILE A 98 -11.701 -3.263 2.379 1.00 0.00 O ATOM 1533 CB ILE A 98 -12.159 -6.391 3.617 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -13.379 -6.552 4.525 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -10.953 -5.826 4.371 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -13.219 -7.760 5.450 1.00 0.00 C ATOM 0 H ILE A 98 -10.748 -5.056 1.340 1.00 0.00 H new ATOM 0 HA ILE A 98 -13.481 -5.856 2.067 1.00 0.00 H new ATOM 0 HB ILE A 98 -11.883 -7.386 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.515 -5.649 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.276 -6.671 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -10.735 -6.456 5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -10.087 -5.805 3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -11.177 -4.814 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -14.100 -7.851 6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.107 -8.664 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.335 -7.626 6.074 1.00 0.00 H new ATOM 1548 N ILE A 99 -13.707 -3.672 3.343 1.00 0.00 N ATOM 1549 CA ILE A 99 -13.941 -2.284 3.704 1.00 0.00 C ATOM 1550 C ILE A 99 -13.008 -1.895 4.851 1.00 0.00 C ATOM 1551 O ILE A 99 -12.906 -2.615 5.845 1.00 0.00 O ATOM 1552 CB ILE A 99 -15.422 -2.053 4.009 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -15.699 -0.577 4.302 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -15.894 -2.961 5.148 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -15.238 -0.202 5.712 1.00 0.00 C ATOM 0 H ILE A 99 -14.451 -4.315 3.615 1.00 0.00 H new ATOM 0 HA ILE A 99 -13.706 -1.627 2.866 1.00 0.00 H new ATOM 0 HB ILE A 99 -15.999 -2.319 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.185 0.046 3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.765 -0.376 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -16.950 -2.778 5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -15.754 -4.004 4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -15.315 -2.749 6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.446 0.852 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -15.772 -0.809 6.443 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.167 -0.381 5.804 1.00 0.00 H new ATOM 1567 N THR A 100 -12.350 -0.758 4.678 1.00 0.00 N ATOM 1568 CA THR A 100 -11.429 -0.266 5.687 1.00 0.00 C ATOM 1569 C THR A 100 -11.782 1.172 6.076 1.00 0.00 C ATOM 1570 O THR A 100 -12.314 1.926 5.262 1.00 0.00 O ATOM 1571 CB THR A 100 -10.007 -0.416 5.144 1.00 0.00 C ATOM 1572 OG1 THR A 100 -9.867 -1.816 4.919 1.00 0.00 O ATOM 1573 CG2 THR A 100 -8.942 -0.100 6.196 1.00 0.00 C ATOM 0 H THR A 100 -12.437 -0.164 3.854 1.00 0.00 H new ATOM 0 HA THR A 100 -11.504 -0.846 6.607 1.00 0.00 H new ATOM 0 HB THR A 100 -9.876 0.242 4.285 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.973 -2.002 4.564 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.951 -0.222 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.063 0.927 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 100 -9.052 -0.780 7.041 1.00 0.00 H new ATOM 1581 N THR A 101 -11.472 1.508 7.320 1.00 0.00 N ATOM 1582 CA THR A 101 -11.749 2.841 7.825 1.00 0.00 C ATOM 1583 C THR A 101 -11.383 3.896 6.779 1.00 0.00 C ATOM 1584 O THR A 101 -10.683 3.598 5.812 1.00 0.00 O ATOM 1585 CB THR A 101 -11.000 3.011 9.148 1.00 0.00 C ATOM 1586 OG1 THR A 101 -11.443 4.274 9.638 1.00 0.00 O ATOM 1587 CG2 THR A 101 -9.494 3.197 8.947 1.00 0.00 C ATOM 0 H THR A 101 -11.032 0.880 7.992 1.00 0.00 H new ATOM 0 HA THR A 101 -12.813 2.977 8.018 1.00 0.00 H new ATOM 0 HB THR A 101 -11.178 2.141 9.781 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.008 4.463 10.495 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.009 3.313 9.916 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.084 2.324 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.315 4.086 8.343 1.00 0.00 H new ATOM 1595 N ILE A 102 -11.872 5.106 7.008 1.00 0.00 N ATOM 1596 CA ILE A 102 -11.604 6.205 6.097 1.00 0.00 C ATOM 1597 C ILE A 102 -11.823 5.736 4.658 1.00 0.00 C ATOM 1598 O ILE A 102 -12.325 4.636 4.430 1.00 0.00 O ATOM 1599 CB ILE A 102 -10.210 6.784 6.350 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -10.142 8.253 5.931 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -9.135 5.942 5.665 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -9.706 9.139 7.099 1.00 0.00 C ATOM 0 H ILE A 102 -12.452 5.349 7.811 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.301 7.024 6.274 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.014 6.746 7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.442 8.366 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -11.118 8.577 5.569 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -8.154 6.375 5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.167 4.925 6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.316 5.925 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -9.666 10.178 6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -10.421 9.042 7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.719 8.829 7.442 1.00 0.00 H new ATOM 1614 N ASP A 103 -11.436 6.592 3.724 1.00 0.00 N ATOM 1615 CA ASP A 103 -11.582 6.277 2.313 1.00 0.00 C ATOM 1616 C ASP A 103 -10.254 6.534 1.597 1.00 0.00 C ATOM 1617 O ASP A 103 -9.329 7.098 2.179 1.00 0.00 O ATOM 1618 CB ASP A 103 -12.648 7.158 1.660 1.00 0.00 C ATOM 1619 CG ASP A 103 -13.877 7.436 2.529 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -14.572 6.451 2.860 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -14.094 8.626 2.840 1.00 0.00 O ATOM 0 H ASP A 103 -11.021 7.504 3.917 1.00 0.00 H new ATOM 0 HA ASP A 103 -11.877 5.231 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.193 8.110 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.975 6.682 0.736 1.00 0.00 H new ATOM 1626 N SER A 104 -10.201 6.105 0.345 1.00 0.00 N ATOM 1627 CA SER A 104 -9.003 6.280 -0.458 1.00 0.00 C ATOM 1628 C SER A 104 -7.859 5.447 0.122 1.00 0.00 C ATOM 1629 O SER A 104 -7.559 5.539 1.313 1.00 0.00 O ATOM 1630 CB SER A 104 -8.600 7.755 -0.531 1.00 0.00 C ATOM 1631 OG SER A 104 -9.667 8.575 -0.999 1.00 0.00 O ATOM 0 H SER A 104 -10.970 5.636 -0.134 1.00 0.00 H new ATOM 0 HA SER A 104 -9.217 5.938 -1.471 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.287 8.095 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.741 7.864 -1.193 1.00 0.00 H new ATOM 0 HG SER A 104 -9.372 9.509 -1.030 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -7.900 5.248 -17.859 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.460 7.145 -19.003 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.726 4.881 -21.071 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.452 3.160 -16.707 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.924 5.767 -14.638 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.495 5.878 -19.650 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.626 6.575 -19.957 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.778 6.686 -21.420 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.683 6.114 -22.014 1.00 0.00 C HETATM 1647 C4A HEM A 105 -7.883 5.623 -20.915 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.369 6.005 -23.505 1.00 0.00 C HETATM 1649 CAA HEM A 105 -10.974 7.287 -22.131 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.206 6.405 -21.993 1.00 0.00 C HETATM 1651 CGA HEM A 105 -11.864 4.930 -21.941 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.682 4.144 -21.431 1.00 0.00 O HETATM 1653 O2A HEM A 105 -10.758 4.547 -22.368 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.406 4.268 -18.692 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.037 4.237 -20.048 1.00 0.00 C HETATM 1656 C2B HEM A 105 -4.870 3.394 -20.257 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.555 2.857 -19.023 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.485 3.432 -18.077 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.223 3.089 -21.607 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.702 1.781 -18.687 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.403 1.529 -19.067 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.312 4.599 -16.067 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.295 3.697 -15.779 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.204 3.400 -14.333 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.195 4.145 -13.758 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.852 4.905 -14.829 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.198 2.407 -13.698 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.542 4.207 -12.401 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.581 4.267 -11.405 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.411 6.222 -16.987 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.666 6.381 -15.621 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.766 7.279 -15.392 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.156 7.695 -16.610 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.359 7.000 -17.614 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.403 7.650 -14.062 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.165 8.779 -16.901 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.543 8.185 -17.061 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.235 8.680 -18.308 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.481 8.743 -18.295 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.538 9.022 -19.293 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.300 5.957 -24.070 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -7.786 5.102 -23.689 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -7.797 6.877 -23.821 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -4.983 3.114 -22.388 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.766 2.100 -21.576 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.458 3.835 -21.821 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.968 1.616 -14.411 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.635 1.970 -12.800 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.282 2.936 -13.435 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.313 6.813 -13.369 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.457 7.882 -14.215 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.897 8.521 -13.646 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.893 0.636 -18.706 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -1.885 2.222 -19.729 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.883 4.314 -10.359 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.523 4.267 -11.668 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -12.876 6.589 -22.833 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.746 6.681 -21.087 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.740 7.424 -23.187 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.184 8.274 -21.720 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.148 8.434 -16.189 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.467 7.098 -17.097 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.884 9.312 -17.809 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.168 9.509 -16.091 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.267 7.762 -19.370 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.324 4.794 -22.070 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.699 2.470 -16.355 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.203 5.976 -13.616 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.141 1.035 -18.024 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.596 4.208 -12.122 1.00 0.00 H new