USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 CYS SG : rot -164:sc= 0.761 USER MOD Set 1.2: A 66 CYS SG : rot -40:sc= -11.4! USER MOD Set 1.3: A 92 CYS SG : rot 144:sc= 0.391 USER MOD Set 1.4: A 95 CYS SG : rot -68:sc= -0.188 USER MOD Single : A 23 SER OG : rot 72:sc= 0.167 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 47:sc= 0.437 USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= 1.21 (180deg=1.21) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.43 F(o=-2.7,f=-1.4) USER MOD Single : A 48 GLN : amide:sc= -0.0207 K(o=-0.021,f=-0.9) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= -0.0093 (180deg=-0.0811) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.017) USER MOD Single : A 75 ASN :FLIP amide:sc= -3.42! C(o=-11!,f=-3.4!) USER MOD Single : A 82 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -1.01 K(o=-1,f=-5.3!) USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= -0.771 (180deg=-1.47!) USER MOD Single : A 97 HIS : no HD1:sc= -0.212 K(o=-0.21,f=-4.2!) USER MOD Single : A 99 MET CE :methyl 156:sc= -0.163 (180deg=-0.883) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -19.580 -19.365 1.159 1.00 0.00 N ATOM 24 CA GLU A 16 -20.201 -19.219 -0.152 1.00 0.00 C ATOM 25 C GLU A 16 -21.290 -18.147 -0.116 1.00 0.00 C ATOM 26 O GLU A 16 -21.392 -17.328 -1.026 1.00 0.00 O ATOM 27 CB GLU A 16 -20.788 -20.568 -0.575 1.00 0.00 C ATOM 28 CG GLU A 16 -21.362 -20.489 -1.994 1.00 0.00 C ATOM 29 CD GLU A 16 -21.899 -21.845 -2.453 1.00 0.00 C ATOM 30 OE1 GLU A 16 -22.198 -22.673 -1.606 1.00 0.00 O ATOM 31 OE2 GLU A 16 -22.166 -21.975 -3.636 1.00 0.00 O ATOM 0 HA GLU A 16 -19.450 -18.905 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.015 -21.336 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.571 -20.864 0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -22.162 -19.750 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.589 -20.150 -2.683 1.00 0.00 H new ATOM 38 N ARG A 17 -22.037 -18.093 0.986 1.00 0.00 N ATOM 39 CA ARG A 17 -23.171 -17.178 1.108 1.00 0.00 C ATOM 40 C ARG A 17 -22.756 -15.710 1.011 1.00 0.00 C ATOM 41 O ARG A 17 -23.360 -14.943 0.261 1.00 0.00 O ATOM 42 CB ARG A 17 -23.834 -17.396 2.470 1.00 0.00 C ATOM 43 CG ARG A 17 -25.080 -16.519 2.630 1.00 0.00 C ATOM 44 CD ARG A 17 -25.673 -16.756 4.020 1.00 0.00 C ATOM 45 NE ARG A 17 -26.950 -16.060 4.148 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.511 -15.835 5.332 1.00 0.00 C ATOM 47 NH1 ARG A 17 -26.836 -16.058 6.427 1.00 0.00 N ATOM 48 NH2 ARG A 17 -28.629 -15.167 5.386 1.00 0.00 N ATOM 0 H ARG A 17 -21.877 -18.674 1.809 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.852 -17.391 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -24.109 -18.445 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.122 -17.169 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.821 -15.468 2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.813 -16.761 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -25.814 -17.824 4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -24.980 -16.404 4.784 1.00 0.00 H new ATOM 0 HE ARG A 17 -27.425 -15.737 3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -25.878 -16.405 6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -27.266 -15.885 7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -29.061 -14.825 4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -29.072 -14.986 6.287 1.00 0.00 H new ATOM 62 N ILE A 18 -21.670 -15.355 1.696 1.00 0.00 N ATOM 63 CA ILE A 18 -21.151 -13.991 1.669 1.00 0.00 C ATOM 64 C ILE A 18 -20.605 -13.670 0.280 1.00 0.00 C ATOM 65 O ILE A 18 -20.608 -12.520 -0.156 1.00 0.00 O ATOM 66 CB ILE A 18 -20.128 -13.759 2.787 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.821 -12.260 2.887 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.840 -14.548 2.526 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.082 -11.971 4.195 1.00 0.00 C ATOM 0 H ILE A 18 -21.132 -15.997 2.278 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.965 -13.294 1.866 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.549 -14.111 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.214 -11.946 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -20.747 -11.686 2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.131 -14.365 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -19.069 -15.613 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.402 -14.228 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -18.865 -10.905 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -19.705 -12.269 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.148 -12.533 4.217 1.00 0.00 H new ATOM 81 N ASP A 19 -19.959 -14.672 -0.314 1.00 0.00 N ATOM 82 CA ASP A 19 -19.269 -14.530 -1.595 1.00 0.00 C ATOM 83 C ASP A 19 -20.274 -14.165 -2.691 1.00 0.00 C ATOM 84 O ASP A 19 -20.015 -13.290 -3.515 1.00 0.00 O ATOM 85 CB ASP A 19 -18.564 -15.856 -1.929 1.00 0.00 C ATOM 86 CG ASP A 19 -17.768 -15.820 -3.239 1.00 0.00 C ATOM 87 OD1 ASP A 19 -17.832 -14.835 -3.958 1.00 0.00 O ATOM 88 OD2 ASP A 19 -17.094 -16.804 -3.510 1.00 0.00 O ATOM 0 H ASP A 19 -19.899 -15.610 0.082 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.528 -13.733 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.890 -16.114 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -19.310 -16.648 -1.990 1.00 0.00 H new ATOM 93 N ILE A 20 -21.466 -14.752 -2.610 1.00 0.00 N ATOM 94 CA ILE A 20 -22.550 -14.435 -3.536 1.00 0.00 C ATOM 95 C ILE A 20 -22.971 -12.972 -3.395 1.00 0.00 C ATOM 96 O ILE A 20 -23.065 -12.255 -4.391 1.00 0.00 O ATOM 97 CB ILE A 20 -23.758 -15.357 -3.292 1.00 0.00 C ATOM 98 CG1 ILE A 20 -23.417 -16.803 -3.672 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.976 -14.882 -4.097 1.00 0.00 C ATOM 100 CD1 ILE A 20 -23.089 -16.898 -5.167 1.00 0.00 C ATOM 0 H ILE A 20 -21.706 -15.453 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.185 -14.596 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 20 -24.002 -15.318 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -22.567 -17.150 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -24.257 -17.456 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.818 -15.548 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -25.240 -13.869 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.736 -14.891 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -22.849 -17.930 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -23.950 -16.571 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -22.234 -16.260 -5.393 1.00 0.00 H new ATOM 112 N LEU A 21 -23.088 -12.508 -2.153 1.00 0.00 N ATOM 113 CA LEU A 21 -23.424 -11.110 -1.885 1.00 0.00 C ATOM 114 C LEU A 21 -22.340 -10.185 -2.423 1.00 0.00 C ATOM 115 O LEU A 21 -22.640 -9.093 -2.895 1.00 0.00 O ATOM 116 CB LEU A 21 -23.615 -10.870 -0.383 1.00 0.00 C ATOM 117 CG LEU A 21 -24.999 -11.369 0.054 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.097 -11.342 1.581 1.00 0.00 C ATOM 119 CD2 LEU A 21 -26.098 -10.478 -0.540 1.00 0.00 C ATOM 0 H LEU A 21 -22.956 -13.078 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.362 -10.889 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.838 -11.388 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.515 -9.808 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.133 -12.389 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.081 -11.697 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -24.329 -11.988 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.951 -10.322 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -27.074 -10.844 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.963 -9.454 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -26.038 -10.503 -1.628 1.00 0.00 H new ATOM 131 N PHE A 22 -21.080 -10.579 -2.255 1.00 0.00 N ATOM 132 CA PHE A 22 -19.962 -9.818 -2.804 1.00 0.00 C ATOM 133 C PHE A 22 -20.061 -9.699 -4.323 1.00 0.00 C ATOM 134 O PHE A 22 -19.857 -8.616 -4.874 1.00 0.00 O ATOM 135 CB PHE A 22 -18.654 -10.525 -2.433 1.00 0.00 C ATOM 136 CG PHE A 22 -17.470 -9.800 -3.033 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.017 -8.594 -2.476 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.822 -10.340 -4.152 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.990 -7.883 -3.108 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.900 -9.562 -4.854 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.405 -8.390 -4.277 1.00 0.00 C ATOM 0 H PHE A 22 -20.808 -11.419 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.987 -8.812 -2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.551 -10.566 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.676 -11.555 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.458 -8.217 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.034 -11.350 -4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.649 -6.945 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.571 -9.864 -5.837 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.572 -7.875 -4.731 1.00 0.00 H new ATOM 151 N SER A 23 -20.345 -10.811 -4.999 1.00 0.00 N ATOM 152 CA SER A 23 -20.511 -10.787 -6.450 1.00 0.00 C ATOM 153 C SER A 23 -21.660 -9.874 -6.860 1.00 0.00 C ATOM 154 O SER A 23 -21.492 -9.004 -7.714 1.00 0.00 O ATOM 155 CB SER A 23 -20.790 -12.201 -6.963 1.00 0.00 C ATOM 156 OG SER A 23 -19.692 -13.035 -6.637 1.00 0.00 O ATOM 0 H SER A 23 -20.464 -11.729 -4.571 1.00 0.00 H new ATOM 0 HA SER A 23 -19.588 -10.404 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 23 -21.704 -12.590 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 23 -20.944 -12.186 -8.042 1.00 0.00 H new ATOM 0 HG SER A 23 -19.687 -13.207 -5.672 1.00 0.00 H new ATOM 162 N LEU A 24 -22.765 -9.967 -6.124 1.00 0.00 N ATOM 163 CA LEU A 24 -23.914 -9.097 -6.349 1.00 0.00 C ATOM 164 C LEU A 24 -23.558 -7.640 -6.095 1.00 0.00 C ATOM 165 O LEU A 24 -24.000 -6.750 -6.822 1.00 0.00 O ATOM 166 CB LEU A 24 -25.082 -9.512 -5.450 1.00 0.00 C ATOM 167 CG LEU A 24 -25.644 -10.865 -5.909 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.621 -11.413 -4.863 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.357 -10.711 -7.259 1.00 0.00 C ATOM 0 H LEU A 24 -22.888 -10.638 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.211 -9.201 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.748 -9.580 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.864 -8.754 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.817 -11.566 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.013 -12.373 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.101 -11.546 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.444 -10.711 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.751 -11.677 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.177 -10.000 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.650 -10.347 -8.004 1.00 0.00 H new ATOM 181 N ALA A 25 -22.805 -7.403 -5.022 1.00 0.00 N ATOM 182 CA ALA A 25 -22.477 -6.043 -4.612 1.00 0.00 C ATOM 183 C ALA A 25 -21.637 -5.353 -5.682 1.00 0.00 C ATOM 184 O ALA A 25 -21.648 -4.127 -5.776 1.00 0.00 O ATOM 185 CB ALA A 25 -21.702 -6.068 -3.291 1.00 0.00 C ATOM 0 H ALA A 25 -22.414 -8.132 -4.425 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.406 -5.488 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.461 -5.048 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.312 -6.538 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.781 -6.636 -3.420 1.00 0.00 H new ATOM 191 N GLU A 26 -20.726 -6.115 -6.281 1.00 0.00 N ATOM 192 CA GLU A 26 -19.818 -5.559 -7.277 1.00 0.00 C ATOM 193 C GLU A 26 -20.567 -5.135 -8.543 1.00 0.00 C ATOM 194 O GLU A 26 -20.081 -4.254 -9.241 1.00 0.00 O ATOM 195 CB GLU A 26 -18.709 -6.568 -7.601 1.00 0.00 C ATOM 196 CG GLU A 26 -17.700 -5.945 -8.575 1.00 0.00 C ATOM 197 CD GLU A 26 -16.543 -6.900 -8.867 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.634 -8.066 -8.517 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.552 -6.440 -9.407 1.00 0.00 O ATOM 0 H GLU A 26 -20.598 -7.110 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.360 -4.662 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.203 -6.871 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.141 -7.468 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.204 -5.686 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.311 -5.018 -8.154 1.00 0.00 H new ATOM 206 N ARG A 27 -21.530 -5.941 -8.997 1.00 0.00 N ATOM 207 CA ARG A 27 -22.308 -5.580 -10.185 1.00 0.00 C ATOM 208 C ARG A 27 -23.162 -4.329 -9.976 1.00 0.00 C ATOM 209 O ARG A 27 -23.211 -3.454 -10.843 1.00 0.00 O ATOM 210 CB ARG A 27 -23.244 -6.728 -10.575 1.00 0.00 C ATOM 211 CG ARG A 27 -23.991 -6.359 -11.863 1.00 0.00 C ATOM 212 CD ARG A 27 -24.979 -7.466 -12.242 1.00 0.00 C ATOM 213 NE ARG A 27 -24.275 -8.680 -12.640 1.00 0.00 N ATOM 214 CZ ARG A 27 -24.936 -9.773 -13.004 1.00 0.00 C ATOM 215 NH1 ARG A 27 -26.232 -9.842 -12.869 1.00 0.00 N ATOM 216 NH2 ARG A 27 -24.263 -10.804 -13.433 1.00 0.00 N ATOM 0 H ARG A 27 -21.787 -6.831 -8.570 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.582 -5.378 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.672 -7.644 -10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.955 -6.922 -9.772 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.524 -5.418 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.278 -6.206 -12.673 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -25.632 -7.681 -11.396 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.616 -7.126 -13.059 1.00 0.00 H new ATOM 0 HE ARG A 27 -23.255 -8.690 -12.639 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.747 -9.052 -12.481 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -26.730 -10.686 -13.152 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -23.245 -10.763 -13.485 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -24.754 -11.652 -13.717 1.00 0.00 H new ATOM 230 N VAL A 28 -23.830 -4.255 -8.825 1.00 0.00 N ATOM 231 CA VAL A 28 -24.656 -3.097 -8.486 1.00 0.00 C ATOM 232 C VAL A 28 -23.767 -1.869 -8.335 1.00 0.00 C ATOM 233 O VAL A 28 -24.226 -0.738 -8.471 1.00 0.00 O ATOM 234 CB VAL A 28 -25.484 -3.368 -7.220 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.571 -3.636 -6.023 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.402 -2.181 -6.902 1.00 0.00 C ATOM 0 H VAL A 28 -23.815 -4.984 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.366 -2.908 -9.291 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.096 -4.250 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.178 -3.825 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.948 -4.506 -6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.936 -2.768 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -26.978 -2.397 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.799 -1.287 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.083 -2.014 -7.737 1.00 0.00 H new ATOM 246 N PHE A 29 -22.594 -2.120 -7.762 1.00 0.00 N ATOM 247 CA PHE A 29 -21.686 -1.064 -7.330 1.00 0.00 C ATOM 248 C PHE A 29 -21.501 0.000 -8.416 1.00 0.00 C ATOM 249 O PHE A 29 -21.874 1.153 -8.197 1.00 0.00 O ATOM 250 CB PHE A 29 -20.365 -1.728 -6.918 1.00 0.00 C ATOM 251 CG PHE A 29 -19.211 -0.757 -6.843 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.342 0.403 -6.078 1.00 0.00 C ATOM 253 CD2 PHE A 29 -17.921 -1.258 -7.065 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.243 1.241 -5.931 1.00 0.00 C ATOM 255 CE2 PHE A 29 -16.820 -0.594 -6.515 1.00 0.00 C ATOM 256 CZ PHE A 29 -16.965 0.707 -6.037 1.00 0.00 C ATOM 0 H PHE A 29 -22.246 -3.062 -7.584 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.102 -0.529 -6.476 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.493 -2.206 -5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.123 -2.516 -7.632 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.283 0.646 -5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.778 -2.150 -7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.381 2.294 -5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -15.861 -1.088 -6.461 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.100 1.289 -5.754 1.00 0.00 H new ATOM 266 N PRO A 30 -21.019 -0.352 -9.632 1.00 0.00 N ATOM 267 CA PRO A 30 -21.012 0.601 -10.784 1.00 0.00 C ATOM 268 C PRO A 30 -22.398 1.074 -11.213 1.00 0.00 C ATOM 269 O PRO A 30 -22.535 2.179 -11.738 1.00 0.00 O ATOM 270 CB PRO A 30 -20.355 -0.193 -11.918 1.00 0.00 C ATOM 271 CG PRO A 30 -20.558 -1.628 -11.572 1.00 0.00 C ATOM 272 CD PRO A 30 -20.593 -1.698 -10.046 1.00 0.00 C ATOM 0 HA PRO A 30 -20.487 1.517 -10.512 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.810 0.047 -12.879 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.294 0.044 -11.999 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.487 -2.004 -12.000 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.751 -2.243 -11.971 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.290 -2.461 -9.698 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.615 -1.950 -9.636 1.00 0.00 H new ATOM 280 N TYR A 31 -23.392 0.202 -11.090 1.00 0.00 N ATOM 281 CA TYR A 31 -24.740 0.528 -11.552 1.00 0.00 C ATOM 282 C TYR A 31 -25.301 1.719 -10.774 1.00 0.00 C ATOM 283 O TYR A 31 -25.993 2.563 -11.339 1.00 0.00 O ATOM 284 CB TYR A 31 -25.657 -0.690 -11.426 1.00 0.00 C ATOM 285 CG TYR A 31 -27.070 -0.323 -11.829 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.397 -0.210 -13.190 1.00 0.00 C ATOM 287 CD2 TYR A 31 -28.081 -0.222 -10.861 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.696 0.134 -13.571 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.398 0.060 -11.251 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.697 0.267 -12.603 1.00 0.00 C ATOM 291 OH TYR A 31 -31.000 0.521 -12.988 1.00 0.00 O ATOM 0 H TYR A 31 -23.294 -0.727 -10.679 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.689 0.807 -12.604 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.289 -1.499 -12.058 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.647 -1.057 -10.400 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.644 -0.389 -13.943 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.845 -0.361 -9.816 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -28.928 0.297 -14.613 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.181 0.117 -10.509 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.570 0.583 -12.193 1.00 0.00 H new ATOM 301 N SER A 32 -25.178 1.632 -9.450 1.00 0.00 N ATOM 302 CA SER A 32 -25.747 2.624 -8.546 1.00 0.00 C ATOM 303 C SER A 32 -25.120 2.455 -7.167 1.00 0.00 C ATOM 304 O SER A 32 -25.238 1.389 -6.568 1.00 0.00 O ATOM 305 CB SER A 32 -27.264 2.449 -8.452 1.00 0.00 C ATOM 306 OG SER A 32 -27.911 3.373 -9.312 1.00 0.00 O ATOM 0 H SER A 32 -24.683 0.875 -8.978 1.00 0.00 H new ATOM 0 HA SER A 32 -25.538 3.623 -8.928 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.539 1.430 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.594 2.603 -7.425 1.00 0.00 H new ATOM 0 HG SER A 32 -27.474 3.365 -10.189 1.00 0.00 H new ATOM 312 N PRO A 33 -24.361 3.446 -6.686 1.00 0.00 N ATOM 313 CA PRO A 33 -23.773 3.389 -5.314 1.00 0.00 C ATOM 314 C PRO A 33 -24.834 3.184 -4.232 1.00 0.00 C ATOM 315 O PRO A 33 -24.645 2.398 -3.307 1.00 0.00 O ATOM 316 CB PRO A 33 -23.094 4.756 -5.169 1.00 0.00 C ATOM 317 CG PRO A 33 -22.801 5.206 -6.563 1.00 0.00 C ATOM 318 CD PRO A 33 -23.927 4.645 -7.427 1.00 0.00 C ATOM 0 HA PRO A 33 -23.091 2.547 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -23.744 5.465 -4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.179 4.680 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -22.767 6.294 -6.624 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -21.831 4.837 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -24.740 5.362 -7.543 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.578 4.394 -8.429 1.00 0.00 H new ATOM 326 N GLU A 34 -25.987 3.821 -4.415 1.00 0.00 N ATOM 327 CA GLU A 34 -27.061 3.768 -3.426 1.00 0.00 C ATOM 328 C GLU A 34 -27.653 2.368 -3.304 1.00 0.00 C ATOM 329 O GLU A 34 -27.930 1.897 -2.203 1.00 0.00 O ATOM 330 CB GLU A 34 -28.173 4.737 -3.834 1.00 0.00 C ATOM 331 CG GLU A 34 -27.675 6.182 -3.724 1.00 0.00 C ATOM 332 CD GLU A 34 -28.725 7.179 -4.212 1.00 0.00 C ATOM 333 OE1 GLU A 34 -29.809 6.765 -4.582 1.00 0.00 O ATOM 334 OE2 GLU A 34 -28.407 8.353 -4.274 1.00 0.00 O ATOM 0 H GLU A 34 -26.202 4.381 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.637 4.046 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.490 4.530 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.044 4.594 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.419 6.401 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -26.763 6.298 -4.309 1.00 0.00 H new ATOM 341 N LEU A 35 -27.851 1.713 -4.446 1.00 0.00 N ATOM 342 CA LEU A 35 -28.287 0.321 -4.458 1.00 0.00 C ATOM 343 C LEU A 35 -27.233 -0.582 -3.823 1.00 0.00 C ATOM 344 O LEU A 35 -27.514 -1.221 -2.810 1.00 0.00 O ATOM 345 CB LEU A 35 -28.583 -0.128 -5.893 1.00 0.00 C ATOM 346 CG LEU A 35 -29.844 0.576 -6.412 1.00 0.00 C ATOM 347 CD1 LEU A 35 -29.998 0.321 -7.917 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.080 0.058 -5.667 1.00 0.00 C ATOM 0 H LEU A 35 -27.717 2.123 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.201 0.241 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.735 0.104 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.721 -1.209 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.750 1.648 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.895 0.823 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.126 0.709 -8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.083 -0.751 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -31.970 0.564 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.178 -1.016 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -30.972 0.257 -4.601 1.00 0.00 H new ATOM 360 N ALA A 36 -25.979 -0.288 -4.156 1.00 0.00 N ATOM 361 CA ALA A 36 -24.834 -1.028 -3.632 1.00 0.00 C ATOM 362 C ALA A 36 -24.754 -0.877 -2.115 1.00 0.00 C ATOM 363 O ALA A 36 -24.505 -1.857 -1.412 1.00 0.00 O ATOM 364 CB ALA A 36 -23.540 -0.531 -4.282 1.00 0.00 C ATOM 0 H ALA A 36 -25.728 0.467 -4.794 1.00 0.00 H new ATOM 0 HA ALA A 36 -24.963 -2.084 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.694 -1.091 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.595 -0.677 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.408 0.529 -4.066 1.00 0.00 H new ATOM 370 N LYS A 37 -25.121 0.304 -1.616 1.00 0.00 N ATOM 371 CA LYS A 37 -25.037 0.574 -0.182 1.00 0.00 C ATOM 372 C LYS A 37 -25.928 -0.394 0.591 1.00 0.00 C ATOM 373 O LYS A 37 -25.427 -1.214 1.356 1.00 0.00 O ATOM 374 CB LYS A 37 -25.634 1.961 0.084 1.00 0.00 C ATOM 375 CG LYS A 37 -25.504 2.336 1.563 1.00 0.00 C ATOM 376 CD LYS A 37 -26.297 3.617 1.850 1.00 0.00 C ATOM 377 CE LYS A 37 -25.639 4.849 1.229 1.00 0.00 C ATOM 378 NZ LYS A 37 -26.341 6.067 1.723 1.00 0.00 N ATOM 0 H LYS A 37 -25.475 1.080 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 37 -23.994 0.487 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.126 2.704 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.684 1.971 -0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -25.873 1.522 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -24.455 2.483 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.309 3.512 1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.383 3.756 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -24.583 4.888 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.692 4.798 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -25.708 6.888 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -27.194 6.232 1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -26.612 5.932 2.718 1.00 0.00 H new ATOM 392 N ARG A 38 -27.167 -0.524 0.118 1.00 0.00 N ATOM 393 CA ARG A 38 -28.159 -1.338 0.810 1.00 0.00 C ATOM 394 C ARG A 38 -27.809 -2.823 0.789 1.00 0.00 C ATOM 395 O ARG A 38 -27.752 -3.460 1.839 1.00 0.00 O ATOM 396 CB ARG A 38 -29.538 -1.106 0.186 1.00 0.00 C ATOM 397 CG ARG A 38 -30.018 0.308 0.544 1.00 0.00 C ATOM 398 CD ARG A 38 -31.389 0.578 -0.092 1.00 0.00 C ATOM 399 NE ARG A 38 -31.844 1.923 0.261 1.00 0.00 N ATOM 400 CZ ARG A 38 -33.105 2.309 0.093 1.00 0.00 C ATOM 401 NH1 ARG A 38 -33.993 1.476 -0.376 1.00 0.00 N ATOM 402 NH2 ARG A 38 -33.479 3.480 0.530 1.00 0.00 N ATOM 0 H ARG A 38 -27.504 -0.079 -0.736 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.170 -1.031 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.486 -1.223 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.247 -1.848 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.084 0.415 1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.295 1.045 0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.323 0.479 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.112 -0.162 0.252 1.00 0.00 H new ATOM 0 HE ARG A 38 -31.172 2.586 0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.721 0.523 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -34.959 1.778 -0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -32.806 4.089 0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -34.444 3.786 0.406 1.00 0.00 H new ATOM 416 N TYR A 39 -27.333 -3.287 -0.366 1.00 0.00 N ATOM 417 CA TYR A 39 -26.893 -4.672 -0.512 1.00 0.00 C ATOM 418 C TYR A 39 -25.719 -5.029 0.396 1.00 0.00 C ATOM 419 O TYR A 39 -25.589 -6.190 0.775 1.00 0.00 O ATOM 420 CB TYR A 39 -26.544 -4.951 -1.978 1.00 0.00 C ATOM 421 CG TYR A 39 -27.813 -5.195 -2.771 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.634 -4.123 -3.148 1.00 0.00 C ATOM 423 CD2 TYR A 39 -28.052 -6.473 -3.300 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.795 -4.372 -3.887 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.217 -6.719 -4.028 1.00 0.00 C ATOM 426 CZ TYR A 39 -30.123 -5.680 -4.261 1.00 0.00 C ATOM 427 OH TYR A 39 -31.318 -5.939 -4.905 1.00 0.00 O ATOM 0 H TYR A 39 -27.243 -2.725 -1.212 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.722 -5.307 -0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.998 -4.106 -2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.889 -5.820 -2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.372 -3.113 -2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.335 -7.265 -3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.440 -3.553 -4.170 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.418 -7.709 -4.410 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.387 -6.898 -5.094 1.00 0.00 H new ATOM 437 N VAL A 40 -24.712 -4.159 0.446 1.00 0.00 N ATOM 438 CA VAL A 40 -23.555 -4.431 1.291 1.00 0.00 C ATOM 439 C VAL A 40 -23.935 -4.436 2.771 1.00 0.00 C ATOM 440 O VAL A 40 -23.471 -5.279 3.531 1.00 0.00 O ATOM 441 CB VAL A 40 -22.394 -3.466 1.040 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.286 -3.766 2.053 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.864 -3.657 -0.385 1.00 0.00 C ATOM 0 H VAL A 40 -24.673 -3.283 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.208 -5.427 1.015 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.731 -2.436 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.449 -3.087 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.671 -3.630 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.948 -4.795 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.037 -2.969 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.515 -4.682 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.662 -3.456 -1.100 1.00 0.00 H new ATOM 453 N GLU A 41 -24.737 -3.462 3.191 1.00 0.00 N ATOM 454 CA GLU A 41 -25.080 -3.311 4.603 1.00 0.00 C ATOM 455 C GLU A 41 -25.821 -4.555 5.079 1.00 0.00 C ATOM 456 O GLU A 41 -25.464 -5.134 6.108 1.00 0.00 O ATOM 457 CB GLU A 41 -25.938 -2.064 4.834 1.00 0.00 C ATOM 458 CG GLU A 41 -25.101 -0.803 4.588 1.00 0.00 C ATOM 459 CD GLU A 41 -25.936 0.470 4.731 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.155 0.378 4.725 1.00 0.00 O ATOM 461 OE2 GLU A 41 -25.352 1.533 4.586 1.00 0.00 O ATOM 0 H GLU A 41 -25.161 -2.767 2.576 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.159 -3.192 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.799 -2.076 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.325 -2.061 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.271 -0.774 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.668 -0.843 3.588 1.00 0.00 H new ATOM 468 N LEU A 42 -26.555 -5.139 4.137 1.00 0.00 N ATOM 469 CA LEU A 42 -27.054 -6.504 4.267 1.00 0.00 C ATOM 470 C LEU A 42 -25.923 -7.527 4.378 1.00 0.00 C ATOM 471 O LEU A 42 -25.943 -8.363 5.280 1.00 0.00 O ATOM 472 CB LEU A 42 -27.921 -6.787 3.032 1.00 0.00 C ATOM 473 CG LEU A 42 -28.382 -8.248 2.941 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.298 -8.617 4.112 1.00 0.00 C ATOM 475 CD2 LEU A 42 -29.128 -8.432 1.615 1.00 0.00 C ATOM 0 H LEU A 42 -26.820 -4.681 3.265 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.633 -6.596 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.796 -6.137 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.357 -6.534 2.134 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.512 -8.903 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.607 -9.658 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.761 -8.481 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.179 -7.975 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.466 -9.465 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.989 -7.765 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.460 -8.198 0.786 1.00 0.00 H new ATOM 487 N ALA A 43 -24.877 -7.390 3.563 1.00 0.00 N ATOM 488 CA ALA A 43 -23.761 -8.339 3.584 1.00 0.00 C ATOM 489 C ALA A 43 -22.998 -8.313 4.910 1.00 0.00 C ATOM 490 O ALA A 43 -22.548 -9.355 5.385 1.00 0.00 O ATOM 491 CB ALA A 43 -22.793 -8.034 2.435 1.00 0.00 C ATOM 0 H ALA A 43 -24.778 -6.636 2.883 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.186 -9.336 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.966 -8.744 2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.319 -8.119 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.405 -7.021 2.545 1.00 0.00 H new ATOM 497 N LEU A 44 -22.801 -7.118 5.469 1.00 0.00 N ATOM 498 CA LEU A 44 -22.164 -6.977 6.779 1.00 0.00 C ATOM 499 C LEU A 44 -23.003 -7.629 7.873 1.00 0.00 C ATOM 500 O LEU A 44 -22.470 -8.330 8.732 1.00 0.00 O ATOM 501 CB LEU A 44 -21.926 -5.499 7.117 1.00 0.00 C ATOM 502 CG LEU A 44 -20.638 -4.965 6.469 1.00 0.00 C ATOM 503 CD1 LEU A 44 -19.419 -5.438 7.269 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.506 -5.418 5.012 1.00 0.00 C ATOM 0 H LEU A 44 -23.073 -6.235 5.036 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.201 -7.486 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.776 -4.907 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.866 -5.379 8.199 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.688 -3.876 6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.509 -5.057 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.488 -5.067 8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.391 -6.528 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.583 -5.020 4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.484 -6.507 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.356 -5.050 4.438 1.00 0.00 H new ATOM 516 N LEU A 45 -24.318 -7.439 7.795 1.00 0.00 N ATOM 517 CA LEU A 45 -25.246 -8.046 8.746 1.00 0.00 C ATOM 518 C LEU A 45 -25.173 -9.567 8.636 1.00 0.00 C ATOM 519 O LEU A 45 -25.239 -10.280 9.636 1.00 0.00 O ATOM 520 CB LEU A 45 -26.672 -7.555 8.468 1.00 0.00 C ATOM 521 CG LEU A 45 -27.667 -8.200 9.442 1.00 0.00 C ATOM 522 CD1 LEU A 45 -27.423 -7.682 10.864 1.00 0.00 C ATOM 523 CD2 LEU A 45 -29.102 -7.866 9.020 1.00 0.00 C ATOM 0 H LEU A 45 -24.766 -6.867 7.080 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.970 -7.754 9.759 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.713 -6.470 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.951 -7.796 7.442 1.00 0.00 H new ATOM 0 HG LEU A 45 -27.525 -9.280 9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -28.134 -8.146 11.547 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.408 -7.931 11.173 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.553 -6.600 10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -29.803 -8.327 9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -29.241 -6.785 9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -29.284 -8.248 8.015 1.00 0.00 H new ATOM 535 N VAL A 46 -25.103 -10.044 7.398 1.00 0.00 N ATOM 536 CA VAL A 46 -24.919 -11.466 7.130 1.00 0.00 C ATOM 537 C VAL A 46 -23.583 -11.927 7.708 1.00 0.00 C ATOM 538 O VAL A 46 -23.495 -13.024 8.248 1.00 0.00 O ATOM 539 CB VAL A 46 -24.985 -11.721 5.618 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.580 -13.162 5.283 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.420 -11.478 5.135 1.00 0.00 C ATOM 0 H VAL A 46 -25.171 -9.464 6.561 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.715 -12.038 7.607 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.292 -11.043 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.636 -13.314 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.560 -13.341 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.256 -13.856 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.478 -11.657 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.098 -12.157 5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.706 -10.448 5.347 1.00 0.00 H new ATOM 551 N GLN A 47 -22.533 -11.135 7.494 1.00 0.00 N ATOM 552 CA GLN A 47 -21.167 -11.586 7.747 1.00 0.00 C ATOM 553 C GLN A 47 -20.945 -11.925 9.220 1.00 0.00 C ATOM 554 O GLN A 47 -20.368 -12.966 9.535 1.00 0.00 O ATOM 555 CB GLN A 47 -20.196 -10.465 7.353 1.00 0.00 C ATOM 556 CG GLN A 47 -18.742 -10.895 7.581 1.00 0.00 C ATOM 557 CD GLN A 47 -17.809 -9.741 7.230 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.661 -10.012 6.681 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -18.055 -8.597 7.611 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.603 -10.179 7.146 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.994 -12.487 7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.342 -10.204 6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.411 -9.570 7.937 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.598 -11.190 8.620 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.508 -11.765 6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.955 -8.385 8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.359 -7.861 7.496 1.00 0.00 H new ATOM 568 N GLN A 48 -21.448 -11.075 10.116 1.00 0.00 N ATOM 569 CA GLN A 48 -21.371 -11.357 11.547 1.00 0.00 C ATOM 570 C GLN A 48 -22.212 -12.580 11.908 1.00 0.00 C ATOM 571 O GLN A 48 -21.812 -13.386 12.742 1.00 0.00 O ATOM 572 CB GLN A 48 -21.824 -10.142 12.371 1.00 0.00 C ATOM 573 CG GLN A 48 -23.322 -9.879 12.177 1.00 0.00 C ATOM 574 CD GLN A 48 -23.778 -8.680 13.004 1.00 0.00 C ATOM 575 OE1 GLN A 48 -22.959 -7.877 13.444 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.032 -8.600 13.365 1.00 0.00 N ATOM 0 H GLN A 48 -21.908 -10.196 9.879 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.329 -11.570 11.787 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.614 -10.315 13.427 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.254 -9.262 12.073 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.530 -9.698 11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.891 -10.763 12.467 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.712 -9.267 12.999 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.331 -7.871 14.012 1.00 0.00 H new ATOM 585 N LYS A 49 -23.403 -12.675 11.322 1.00 0.00 N ATOM 586 CA LYS A 49 -24.295 -13.809 11.554 1.00 0.00 C ATOM 587 C LYS A 49 -23.678 -15.109 11.052 1.00 0.00 C ATOM 588 O LYS A 49 -23.620 -16.100 11.787 1.00 0.00 O ATOM 589 CB LYS A 49 -25.647 -13.564 10.878 1.00 0.00 C ATOM 590 CG LYS A 49 -26.349 -12.418 11.614 1.00 0.00 C ATOM 591 CD LYS A 49 -27.695 -12.108 10.959 1.00 0.00 C ATOM 592 CE LYS A 49 -28.368 -10.968 11.728 1.00 0.00 C ATOM 593 NZ LYS A 49 -29.672 -10.637 11.089 1.00 0.00 N ATOM 0 H LYS A 49 -23.775 -11.976 10.679 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.448 -13.905 12.629 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.506 -13.311 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.257 -14.467 10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.500 -12.687 12.659 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -25.718 -11.529 11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.551 -11.826 9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.330 -12.994 10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -28.524 -11.259 12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -27.722 -10.090 11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.081 -9.798 11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.524 -10.441 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.324 -11.441 11.194 1.00 0.00 H new ATOM 607 N ALA A 50 -23.062 -15.032 9.874 1.00 0.00 N ATOM 608 CA ALA A 50 -22.352 -16.173 9.300 1.00 0.00 C ATOM 609 C ALA A 50 -21.031 -16.424 10.030 1.00 0.00 C ATOM 610 O ALA A 50 -20.441 -17.495 9.879 1.00 0.00 O ATOM 611 CB ALA A 50 -22.076 -15.932 7.811 1.00 0.00 C ATOM 0 H ALA A 50 -23.040 -14.191 9.298 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.986 -17.052 9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.547 -16.790 7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.020 -15.798 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.465 -15.037 7.694 1.00 0.00 H new ATOM 617 N LYS A 51 -20.594 -15.463 10.848 1.00 0.00 N ATOM 618 CA LYS A 51 -19.352 -15.596 11.611 1.00 0.00 C ATOM 619 C LYS A 51 -18.181 -16.018 10.728 1.00 0.00 C ATOM 620 O LYS A 51 -17.393 -16.887 11.105 1.00 0.00 O ATOM 621 CB LYS A 51 -19.523 -16.586 12.769 1.00 0.00 C ATOM 622 CG LYS A 51 -20.529 -16.063 13.797 1.00 0.00 C ATOM 623 CD LYS A 51 -19.977 -14.803 14.471 1.00 0.00 C ATOM 624 CE LYS A 51 -20.982 -14.281 15.499 1.00 0.00 C ATOM 625 NZ LYS A 51 -20.426 -13.066 16.159 1.00 0.00 N ATOM 0 H LYS A 51 -21.085 -14.582 10.999 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.124 -14.611 12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.860 -17.548 12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.560 -16.756 13.251 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.478 -15.839 13.309 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.729 -16.829 14.546 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.028 -15.027 14.958 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.778 -14.037 13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.928 -14.044 15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.191 -15.050 16.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.107 -12.709 16.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.534 -13.308 16.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.248 -12.333 15.443 1.00 0.00 H new ATOM 639 N VAL A 52 -18.005 -15.327 9.602 1.00 0.00 N ATOM 640 CA VAL A 52 -16.885 -15.617 8.711 1.00 0.00 C ATOM 641 C VAL A 52 -15.951 -14.413 8.628 1.00 0.00 C ATOM 642 O VAL A 52 -16.395 -13.271 8.495 1.00 0.00 O ATOM 643 CB VAL A 52 -17.398 -15.973 7.307 1.00 0.00 C ATOM 644 CG1 VAL A 52 -18.139 -17.314 7.336 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.340 -14.879 6.785 1.00 0.00 C ATOM 0 H VAL A 52 -18.616 -14.572 9.289 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.335 -16.468 9.114 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.539 -16.051 6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.497 -17.554 6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.461 -18.097 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.987 -17.247 8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.694 -15.148 5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.192 -14.780 7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.805 -13.931 6.736 1.00 0.00 H new ATOM 655 N LYS A 53 -14.663 -14.684 8.820 1.00 0.00 N ATOM 656 CA LYS A 53 -13.634 -13.652 8.759 1.00 0.00 C ATOM 657 C LYS A 53 -13.027 -13.608 7.361 1.00 0.00 C ATOM 658 O LYS A 53 -12.528 -14.618 6.865 1.00 0.00 O ATOM 659 CB LYS A 53 -12.551 -13.934 9.807 1.00 0.00 C ATOM 660 CG LYS A 53 -11.508 -12.812 9.818 1.00 0.00 C ATOM 661 CD LYS A 53 -10.465 -13.083 10.907 1.00 0.00 C ATOM 662 CE LYS A 53 -9.431 -11.953 10.925 1.00 0.00 C ATOM 663 NZ LYS A 53 -8.435 -12.215 12.003 1.00 0.00 N ATOM 0 H LYS A 53 -14.306 -15.618 9.021 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.083 -12.682 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.006 -14.025 10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.067 -14.886 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.022 -12.745 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.994 -11.853 9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.952 -13.159 11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.972 -14.037 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.930 -11.887 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.924 -10.996 11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.731 -11.450 12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.921 -12.257 12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.958 -13.121 11.822 1.00 0.00 H new ATOM 677 N ILE A 54 -12.929 -12.403 6.811 1.00 0.00 N ATOM 678 CA ILE A 54 -12.255 -12.196 5.535 1.00 0.00 C ATOM 679 C ILE A 54 -11.249 -11.056 5.663 1.00 0.00 C ATOM 680 O ILE A 54 -11.628 -9.908 5.886 1.00 0.00 O ATOM 681 CB ILE A 54 -13.267 -11.876 4.425 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.596 -11.393 5.022 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.501 -13.132 3.580 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.612 -11.112 3.910 1.00 0.00 C ATOM 0 H ILE A 54 -13.308 -11.554 7.230 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.733 -13.115 5.268 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.865 -11.079 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.992 -12.147 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.431 -10.490 5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.219 -12.911 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.559 -13.452 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.892 -13.929 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.549 -10.771 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.221 -10.341 3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.790 -12.024 3.341 1.00 0.00 H new ATOM 696 N PRO A 55 -9.946 -11.377 5.696 1.00 0.00 N ATOM 697 CA PRO A 55 -8.895 -10.384 6.063 1.00 0.00 C ATOM 698 C PRO A 55 -8.934 -9.141 5.176 1.00 0.00 C ATOM 699 O PRO A 55 -8.461 -8.082 5.593 1.00 0.00 O ATOM 700 CB PRO A 55 -7.581 -11.158 5.890 1.00 0.00 C ATOM 701 CG PRO A 55 -7.942 -12.594 6.076 1.00 0.00 C ATOM 702 CD PRO A 55 -9.396 -12.746 5.627 1.00 0.00 C ATOM 0 HA PRO A 55 -9.031 -10.001 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.150 -10.985 4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.839 -10.841 6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.287 -13.237 5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.827 -12.890 7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.460 -13.150 4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.944 -13.428 6.278 1.00 0.00 H new ATOM 710 N ARG A 56 -9.228 -9.347 3.893 1.00 0.00 N ATOM 711 CA ARG A 56 -9.195 -8.243 2.938 1.00 0.00 C ATOM 712 C ARG A 56 -10.482 -8.114 2.122 1.00 0.00 C ATOM 713 O ARG A 56 -10.747 -7.033 1.597 1.00 0.00 O ATOM 714 CB ARG A 56 -7.965 -8.383 2.033 1.00 0.00 C ATOM 715 CG ARG A 56 -6.708 -8.170 2.889 1.00 0.00 C ATOM 716 CD ARG A 56 -5.437 -8.291 2.040 1.00 0.00 C ATOM 717 NE ARG A 56 -5.264 -9.656 1.558 1.00 0.00 N ATOM 718 CZ ARG A 56 -4.697 -10.594 2.315 1.00 0.00 C ATOM 719 NH1 ARG A 56 -4.373 -10.342 3.554 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.638 -11.816 1.873 1.00 0.00 N ATOM 0 H ARG A 56 -9.487 -10.251 3.497 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.120 -7.317 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.946 -9.369 1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.003 -7.652 1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.745 -7.186 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.683 -8.905 3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.493 -7.606 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.570 -7.997 2.631 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.584 -9.898 0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.554 -9.420 3.951 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.939 -11.067 4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.023 -12.046 0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.207 -12.544 2.442 1.00 0.00 H new ATOM 734 N LYS A 57 -11.236 -9.200 1.929 1.00 0.00 N ATOM 735 CA LYS A 57 -12.236 -9.204 0.859 1.00 0.00 C ATOM 736 C LYS A 57 -13.331 -8.161 1.064 1.00 0.00 C ATOM 737 O LYS A 57 -13.826 -7.600 0.090 1.00 0.00 O ATOM 738 CB LYS A 57 -12.938 -10.557 0.725 1.00 0.00 C ATOM 739 CG LYS A 57 -11.991 -11.638 0.197 1.00 0.00 C ATOM 740 CD LYS A 57 -12.796 -12.941 0.087 1.00 0.00 C ATOM 741 CE LYS A 57 -11.927 -14.082 -0.450 1.00 0.00 C ATOM 742 NZ LYS A 57 -12.743 -15.329 -0.529 1.00 0.00 N ATOM 0 H LYS A 57 -11.178 -10.058 2.477 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.665 -8.975 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.331 -10.860 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.790 -10.460 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.587 -11.353 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.143 -11.767 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.192 -13.211 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.651 -12.790 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.538 -13.825 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.067 -14.237 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.155 -16.106 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.093 -15.575 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.550 -15.176 -1.167 1.00 0.00 H new ATOM 756 N TRP A 58 -13.857 -8.024 2.277 1.00 0.00 N ATOM 757 CA TRP A 58 -14.718 -6.879 2.553 1.00 0.00 C ATOM 758 C TRP A 58 -13.960 -5.776 3.278 1.00 0.00 C ATOM 759 O TRP A 58 -14.092 -4.603 2.932 1.00 0.00 O ATOM 760 CB TRP A 58 -15.940 -7.321 3.363 1.00 0.00 C ATOM 761 CG TRP A 58 -17.091 -7.555 2.433 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.533 -8.773 2.041 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.735 -6.588 1.549 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.531 -8.602 1.101 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.673 -7.277 0.736 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.398 -5.269 1.195 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.318 -6.635 -0.327 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.090 -4.619 0.167 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.906 -5.351 -0.700 1.00 0.00 C ATOM 0 H TRP A 58 -13.711 -8.664 3.058 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.057 -6.472 1.600 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.714 -8.232 3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.200 -6.558 4.097 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.166 -9.722 2.403 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.095 -9.363 0.722 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.604 -4.757 1.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.124 -7.125 -0.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.993 -3.550 0.043 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.215 -4.931 -1.646 1.00 0.00 H new ATOM 780 N LYS A 59 -12.981 -6.194 4.074 1.00 0.00 N ATOM 781 CA LYS A 59 -12.344 -5.317 5.054 1.00 0.00 C ATOM 782 C LYS A 59 -11.629 -4.164 4.356 1.00 0.00 C ATOM 783 O LYS A 59 -11.590 -3.042 4.866 1.00 0.00 O ATOM 784 CB LYS A 59 -11.398 -6.145 5.930 1.00 0.00 C ATOM 785 CG LYS A 59 -10.789 -5.320 7.068 1.00 0.00 C ATOM 786 CD LYS A 59 -9.915 -6.243 7.919 1.00 0.00 C ATOM 787 CE LYS A 59 -9.296 -5.468 9.083 1.00 0.00 C ATOM 788 NZ LYS A 59 -8.484 -6.410 9.904 1.00 0.00 N ATOM 0 H LYS A 59 -12.608 -7.143 4.060 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.099 -4.870 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.942 -6.992 6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.598 -6.554 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.195 -4.500 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.576 -4.875 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.513 -7.070 8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.127 -6.678 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.671 -4.658 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.077 -5.012 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.056 -5.896 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.095 -7.168 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.733 -6.824 9.316 1.00 0.00 H new ATOM 802 N ARG A 60 -10.933 -4.503 3.274 1.00 0.00 N ATOM 803 CA ARG A 60 -10.144 -3.539 2.515 1.00 0.00 C ATOM 804 C ARG A 60 -10.882 -2.960 1.310 1.00 0.00 C ATOM 805 O ARG A 60 -10.336 -2.084 0.630 1.00 0.00 O ATOM 806 CB ARG A 60 -8.845 -4.212 2.063 1.00 0.00 C ATOM 807 CG ARG A 60 -7.985 -4.560 3.280 1.00 0.00 C ATOM 808 CD ARG A 60 -7.459 -3.276 3.931 1.00 0.00 C ATOM 809 NE ARG A 60 -6.604 -3.598 5.067 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.046 -3.530 6.319 1.00 0.00 C ATOM 811 NH1 ARG A 60 -8.193 -2.960 6.570 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.196 -3.699 7.293 1.00 0.00 N ATOM 0 H ARG A 60 -10.900 -5.451 2.900 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.938 -2.696 3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.072 -5.116 1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.295 -3.548 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.572 -5.129 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.151 -5.193 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.899 -2.692 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.295 -2.658 4.260 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.640 -3.883 4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.746 -2.569 5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.536 -2.905 7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.213 -3.879 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.514 -3.651 8.261 1.00 0.00 H new ATOM 826 N ARG A 61 -12.111 -3.408 1.059 1.00 0.00 N ATOM 827 CA ARG A 61 -12.842 -2.994 -0.139 1.00 0.00 C ATOM 828 C ARG A 61 -14.160 -2.288 0.192 1.00 0.00 C ATOM 829 O ARG A 61 -15.124 -2.433 -0.553 1.00 0.00 O ATOM 830 CB ARG A 61 -13.086 -4.179 -1.084 1.00 0.00 C ATOM 831 CG ARG A 61 -11.752 -4.682 -1.650 1.00 0.00 C ATOM 832 CD ARG A 61 -11.964 -5.856 -2.618 1.00 0.00 C ATOM 833 NE ARG A 61 -12.414 -7.062 -1.931 1.00 0.00 N ATOM 834 CZ ARG A 61 -12.675 -8.189 -2.592 1.00 0.00 C ATOM 835 NH1 ARG A 61 -12.158 -8.405 -3.769 1.00 0.00 N ATOM 836 NH2 ARG A 61 -13.481 -9.068 -2.068 1.00 0.00 N ATOM 0 H ARG A 61 -12.619 -4.053 1.664 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.208 -2.270 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.590 -4.984 -0.549 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.745 -3.876 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.244 -3.868 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.102 -4.995 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.698 -5.574 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.032 -6.065 -3.143 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.532 -7.042 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.547 -7.707 -4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.365 -9.272 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.907 -8.891 -1.158 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.686 -9.933 -2.567 1.00 0.00 H new ATOM 850 N TYR A 62 -14.244 -1.606 1.338 1.00 0.00 N ATOM 851 CA TYR A 62 -15.444 -0.825 1.650 1.00 0.00 C ATOM 852 C TYR A 62 -15.208 0.464 2.445 1.00 0.00 C ATOM 853 O TYR A 62 -14.070 0.809 2.747 1.00 0.00 O ATOM 854 CB TYR A 62 -16.495 -1.686 2.359 1.00 0.00 C ATOM 855 CG TYR A 62 -15.983 -2.389 3.600 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.861 -1.927 4.306 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.651 -3.539 4.045 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.583 -2.451 5.576 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.412 -4.019 5.335 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.351 -3.505 6.089 1.00 0.00 C ATOM 861 OH TYR A 62 -14.899 -4.204 7.193 1.00 0.00 O ATOM 0 H TYR A 62 -13.514 -1.578 2.050 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.808 -0.503 0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.340 -1.055 2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.869 -2.433 1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.218 -1.174 3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.346 -4.050 3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.774 -2.041 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.047 -4.788 5.751 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.546 -4.903 7.425 1.00 0.00 H new ATOM 871 N CYS A 63 -16.238 1.313 2.385 1.00 0.00 N ATOM 872 CA CYS A 63 -16.318 2.578 3.117 1.00 0.00 C ATOM 873 C CYS A 63 -16.651 2.364 4.588 1.00 0.00 C ATOM 874 O CYS A 63 -17.368 1.432 4.948 1.00 0.00 O ATOM 875 CB CYS A 63 -17.440 3.421 2.507 1.00 0.00 C ATOM 876 SG CYS A 63 -17.729 4.913 3.498 1.00 0.00 S ATOM 0 H CYS A 63 -17.061 1.133 1.810 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.348 3.069 3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -17.178 3.701 1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.355 2.832 2.451 1.00 0.00 H new ATOM 0 HG CYS A 63 -18.874 5.435 3.172 1.00 0.00 H new ATOM 881 N LYS A 64 -16.186 3.295 5.419 1.00 0.00 N ATOM 882 CA LYS A 64 -16.418 3.222 6.856 1.00 0.00 C ATOM 883 C LYS A 64 -17.901 3.320 7.198 1.00 0.00 C ATOM 884 O LYS A 64 -18.394 2.536 8.006 1.00 0.00 O ATOM 885 CB LYS A 64 -15.732 4.430 7.505 1.00 0.00 C ATOM 886 CG LYS A 64 -14.212 4.395 7.314 1.00 0.00 C ATOM 887 CD LYS A 64 -13.593 3.201 8.048 1.00 0.00 C ATOM 888 CE LYS A 64 -12.078 3.206 7.836 1.00 0.00 C ATOM 889 NZ LYS A 64 -11.467 2.070 8.579 1.00 0.00 N ATOM 0 H LYS A 64 -15.647 4.108 5.120 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.031 2.268 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.131 5.349 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.964 4.450 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.977 4.335 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.774 5.321 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.823 3.255 9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.021 2.270 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.849 3.124 6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.655 4.149 8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.437 2.074 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.674 2.167 9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.862 1.174 8.229 1.00 0.00 H new ATOM 903 N LYS A 65 -18.619 4.218 6.521 1.00 0.00 N ATOM 904 CA LYS A 65 -20.062 4.338 6.721 1.00 0.00 C ATOM 905 C LYS A 65 -20.866 3.465 5.757 1.00 0.00 C ATOM 906 O LYS A 65 -21.817 2.812 6.175 1.00 0.00 O ATOM 907 CB LYS A 65 -20.509 5.797 6.599 1.00 0.00 C ATOM 908 CG LYS A 65 -21.999 5.913 6.939 1.00 0.00 C ATOM 909 CD LYS A 65 -22.466 7.370 6.875 1.00 0.00 C ATOM 910 CE LYS A 65 -23.947 7.421 7.255 1.00 0.00 C ATOM 911 NZ LYS A 65 -24.417 8.832 7.215 1.00 0.00 N ATOM 0 H LYS A 65 -18.229 4.866 5.837 1.00 0.00 H new ATOM 0 HA LYS A 65 -20.264 3.980 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.923 6.424 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -20.328 6.159 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -22.582 5.310 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -22.180 5.513 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.879 7.986 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -22.318 7.772 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -24.532 6.811 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.093 7.005 8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -25.424 8.870 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.865 9.401 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -24.291 9.213 6.255 1.00 0.00 H new ATOM 925 N CYS A 66 -20.552 3.540 4.464 1.00 0.00 N ATOM 926 CA CYS A 66 -21.398 2.928 3.439 1.00 0.00 C ATOM 927 C CYS A 66 -21.318 1.409 3.507 1.00 0.00 C ATOM 928 O CYS A 66 -22.227 0.719 3.038 1.00 0.00 O ATOM 929 CB CYS A 66 -21.053 3.439 2.032 1.00 0.00 C ATOM 930 SG CYS A 66 -21.221 5.242 1.992 1.00 0.00 S ATOM 0 H CYS A 66 -19.725 4.015 4.103 1.00 0.00 H new ATOM 0 HA CYS A 66 -22.427 3.225 3.644 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.036 3.151 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -21.715 2.984 1.295 1.00 0.00 H new ATOM 0 HG CYS A 66 -22.271 5.595 2.672 1.00 0.00 H new ATOM 935 N HIS A 67 -20.135 0.925 3.866 1.00 0.00 N ATOM 936 CA HIS A 67 -19.834 -0.502 3.867 1.00 0.00 C ATOM 937 C HIS A 67 -19.860 -1.032 2.435 1.00 0.00 C ATOM 938 O HIS A 67 -19.209 -2.036 2.166 1.00 0.00 O ATOM 939 CB HIS A 67 -20.851 -1.270 4.721 1.00 0.00 C ATOM 940 CG HIS A 67 -20.791 -0.789 6.147 1.00 0.00 C ATOM 941 ND1 HIS A 67 -19.673 -0.960 6.946 1.00 0.00 N ATOM 942 CD2 HIS A 67 -21.680 -0.069 6.907 1.00 0.00 C ATOM 943 CE1 HIS A 67 -19.843 -0.190 8.036 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.010 0.458 8.008 1.00 0.00 N ATOM 0 H HIS A 67 -19.356 1.512 4.165 1.00 0.00 H new ATOM 0 HA HIS A 67 -18.842 -0.648 4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -21.855 -1.127 4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -20.640 -2.339 4.679 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -22.729 0.066 6.686 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -19.123 -0.106 8.837 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -21.338 1.179 8.651 1.00 0.00 H new ATOM 953 N ALA A 68 -20.180 -0.129 1.511 1.00 0.00 N ATOM 954 CA ALA A 68 -20.344 -0.471 0.105 1.00 0.00 C ATOM 955 C ALA A 68 -18.982 -0.752 -0.509 1.00 0.00 C ATOM 956 O ALA A 68 -17.997 -0.134 -0.109 1.00 0.00 O ATOM 957 CB ALA A 68 -20.998 0.674 -0.664 1.00 0.00 C ATOM 0 H ALA A 68 -20.332 0.858 1.718 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.983 -1.352 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.109 0.392 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.979 0.884 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.373 1.564 -0.592 1.00 0.00 H new ATOM 963 N PHE A 69 -18.976 -1.492 -1.613 1.00 0.00 N ATOM 964 CA PHE A 69 -17.712 -1.849 -2.245 1.00 0.00 C ATOM 965 C PHE A 69 -17.030 -0.546 -2.652 1.00 0.00 C ATOM 966 O PHE A 69 -17.690 0.345 -3.188 1.00 0.00 O ATOM 967 CB PHE A 69 -18.015 -2.658 -3.514 1.00 0.00 C ATOM 968 CG PHE A 69 -16.788 -3.364 -4.054 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.604 -2.670 -4.350 1.00 0.00 C ATOM 970 CD2 PHE A 69 -16.770 -4.761 -4.123 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.480 -3.390 -4.790 1.00 0.00 C ATOM 972 CE2 PHE A 69 -15.847 -5.367 -4.981 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.638 -4.712 -5.225 1.00 0.00 C ATOM 0 H PHE A 69 -19.810 -1.849 -2.079 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.083 -2.432 -1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.789 -3.394 -3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.415 -1.993 -4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.558 -1.597 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.450 -5.355 -3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.504 -2.928 -4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.064 -6.318 -5.444 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.836 -5.218 -5.742 1.00 0.00 H new ATOM 983 N LEU A 70 -15.780 -0.361 -2.232 1.00 0.00 N ATOM 984 CA LEU A 70 -15.122 0.924 -2.440 1.00 0.00 C ATOM 985 C LEU A 70 -13.992 0.780 -3.457 1.00 0.00 C ATOM 986 O LEU A 70 -12.861 0.465 -3.091 1.00 0.00 O ATOM 987 CB LEU A 70 -14.635 1.441 -1.076 1.00 0.00 C ATOM 988 CG LEU A 70 -14.084 2.872 -1.172 1.00 0.00 C ATOM 989 CD1 LEU A 70 -15.163 3.825 -1.698 1.00 0.00 C ATOM 990 CD2 LEU A 70 -13.640 3.347 0.219 1.00 0.00 C ATOM 0 H LEU A 70 -15.215 -1.066 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.815 1.655 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.459 1.416 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.860 0.778 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.236 2.872 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.757 4.835 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.483 3.501 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.016 3.818 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.249 4.362 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.493 3.332 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.862 2.684 0.599 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.245 1.422 -4.593 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.250 1.689 -5.626 1.00 0.00 C ATOM 1004 C VAL A 71 -13.448 3.137 -6.066 1.00 0.00 C ATOM 1005 O VAL A 71 -14.586 3.562 -6.265 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.464 0.718 -6.796 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -12.563 1.071 -7.981 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.155 -0.708 -6.332 1.00 0.00 C ATOM 0 H VAL A 71 -15.171 1.780 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.233 1.546 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.502 0.794 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.737 0.366 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.790 2.081 -8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.519 1.018 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.306 -1.401 -7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.120 -0.765 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.819 -0.975 -5.510 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.375 3.900 -6.306 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.515 5.283 -6.843 1.00 0.00 C ATOM 1020 C PRO A 72 -13.173 5.315 -8.220 1.00 0.00 C ATOM 1021 O PRO A 72 -12.844 4.521 -9.098 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.083 5.822 -6.907 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.269 4.931 -6.026 1.00 0.00 C ATOM 1024 CD PRO A 72 -10.974 3.573 -5.995 1.00 0.00 C ATOM 0 HA PRO A 72 -13.165 5.886 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.706 5.809 -7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.039 6.856 -6.564 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.254 4.831 -6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.190 5.348 -5.022 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.551 2.886 -6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.881 3.096 -5.019 1.00 0.00 H new ATOM 1032 N GLY A 73 -13.979 6.351 -8.434 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.666 6.579 -9.700 1.00 0.00 C ATOM 1034 C GLY A 73 -16.114 6.093 -9.669 1.00 0.00 C ATOM 1035 O GLY A 73 -16.906 6.510 -10.513 1.00 0.00 O ATOM 0 H GLY A 73 -14.175 7.061 -7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.647 7.643 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.130 6.067 -10.499 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.455 5.157 -8.778 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.763 4.512 -8.874 1.00 0.00 C ATOM 1041 C ILE A 74 -18.747 4.983 -7.806 1.00 0.00 C ATOM 1042 O ILE A 74 -19.571 5.861 -8.067 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.592 2.992 -8.786 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.792 2.493 -9.994 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -18.974 2.333 -8.781 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.379 1.032 -9.793 1.00 0.00 C ATOM 0 H ILE A 74 -15.866 4.839 -8.009 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.187 4.796 -9.837 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.058 2.736 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.392 2.587 -10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.906 3.112 -10.133 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.861 1.251 -8.719 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.543 2.688 -7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.503 2.590 -9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.812 0.692 -10.659 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.761 0.948 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.270 0.415 -9.678 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.551 4.508 -6.574 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.371 4.948 -5.444 1.00 0.00 C ATOM 1060 C ASN A 75 -18.697 6.097 -4.715 1.00 0.00 C ATOM 1061 O ASN A 75 -19.392 6.958 -4.173 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.611 3.809 -4.445 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.330 3.372 -3.732 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.183 3.461 -4.342 1.00 0.00 O flip ATOM 1065 ND2 ASN A 75 -18.339 3.239 -2.510 1.00 0.00 N flip ATOM 0 H ASN A 75 -17.835 3.822 -6.334 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.329 5.272 -5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.344 4.129 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.040 2.955 -4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -19.226 3.167 -2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -17.460 3.200 -1.995 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.490 6.368 -5.190 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.589 7.267 -4.497 1.00 0.00 C ATOM 1074 C ALA A 76 -15.603 7.798 -5.518 1.00 0.00 C ATOM 1075 O ALA A 76 -15.296 7.117 -6.487 1.00 0.00 O ATOM 1076 CB ALA A 76 -15.846 6.530 -3.378 1.00 0.00 C ATOM 0 H ALA A 76 -17.115 5.976 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.148 8.083 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.175 7.222 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.567 6.133 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.268 5.710 -3.804 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.105 9.001 -5.289 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.189 9.617 -6.228 1.00 0.00 C ATOM 1084 C ARG A 77 -12.965 10.130 -5.487 1.00 0.00 C ATOM 1085 O ARG A 77 -13.062 10.512 -4.325 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.891 10.756 -6.968 1.00 0.00 C ATOM 1087 CG ARG A 77 -14.038 11.176 -8.168 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.719 12.317 -8.928 1.00 0.00 C ATOM 1089 NE ARG A 77 -13.991 12.595 -10.165 1.00 0.00 N ATOM 1090 CZ ARG A 77 -14.173 13.721 -10.853 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -15.085 14.582 -10.490 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -13.449 13.953 -11.913 1.00 0.00 N ATOM 0 H ARG A 77 -15.319 9.566 -4.467 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.867 8.877 -6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.878 10.435 -7.302 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.041 11.603 -6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.052 11.493 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.888 10.325 -8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.751 12.049 -9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.751 13.212 -8.306 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.324 11.906 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.666 14.395 -9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.216 15.441 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.748 13.274 -12.211 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.584 14.813 -12.444 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.797 9.948 -6.098 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.540 10.288 -5.440 1.00 0.00 C ATOM 1108 C VAL A 78 -9.797 11.312 -6.287 1.00 0.00 C ATOM 1109 O VAL A 78 -9.830 11.248 -7.517 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.690 9.024 -5.237 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.109 8.523 -6.566 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.541 9.329 -4.272 1.00 0.00 C ATOM 0 H VAL A 78 -11.695 9.570 -7.040 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.741 10.717 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.334 8.247 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.513 7.628 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.922 8.287 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.479 9.298 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.939 8.432 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.918 10.122 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.947 9.651 -3.313 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.398 12.391 -5.620 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.521 13.382 -6.223 1.00 0.00 C ATOM 1124 C ARG A 79 -7.112 13.166 -5.694 1.00 0.00 C ATOM 1125 O ARG A 79 -6.936 12.869 -4.513 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.996 14.795 -5.877 1.00 0.00 C ATOM 1127 CG ARG A 79 -10.372 15.048 -6.494 1.00 0.00 C ATOM 1128 CD ARG A 79 -10.855 16.457 -6.130 1.00 0.00 C ATOM 1129 NE ARG A 79 -11.148 16.552 -4.701 1.00 0.00 N ATOM 1130 CZ ARG A 79 -11.561 17.690 -4.149 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -11.645 18.778 -4.859 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.785 17.745 -2.865 1.00 0.00 N ATOM 0 H ARG A 79 -9.670 12.599 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.536 13.273 -7.307 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.045 14.917 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.281 15.529 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.320 14.940 -7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.084 14.305 -6.134 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.093 17.188 -6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.748 16.700 -6.706 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.033 15.726 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.393 18.763 -5.847 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.963 19.646 -4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.643 16.917 -2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.102 18.616 -2.439 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.131 13.214 -6.590 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.748 13.037 -6.175 1.00 0.00 C ATOM 1148 C LEU A 80 -4.041 14.383 -6.272 1.00 0.00 C ATOM 1149 O LEU A 80 -4.020 15.008 -7.330 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.078 12.001 -7.085 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.872 10.686 -7.050 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.027 10.728 -8.061 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -3.947 9.507 -7.372 1.00 0.00 C ATOM 0 H LEU A 80 -6.265 13.371 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.694 12.678 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.028 12.379 -8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.053 11.826 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.285 10.558 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.579 9.789 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.696 11.552 -7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.627 10.873 -9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.518 8.579 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.519 9.641 -8.365 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.145 9.462 -6.635 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.479 14.816 -5.149 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.779 16.091 -5.088 1.00 0.00 C ATOM 1167 C ARG A 81 -1.282 15.857 -4.971 1.00 0.00 C ATOM 1168 O ARG A 81 -0.840 15.006 -4.195 1.00 0.00 O ATOM 1169 CB ARG A 81 -3.287 16.936 -3.916 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.725 17.376 -4.200 1.00 0.00 C ATOM 1171 CD ARG A 81 -5.253 18.204 -3.028 1.00 0.00 C ATOM 1172 NE ARG A 81 -6.632 18.597 -3.309 1.00 0.00 N ATOM 1173 CZ ARG A 81 -7.242 19.562 -2.625 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -6.689 20.060 -1.552 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -8.278 20.165 -3.144 1.00 0.00 N ATOM 0 H ARG A 81 -3.495 14.301 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.977 16.641 -6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.246 16.360 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.648 17.808 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.761 17.963 -5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.359 16.503 -4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.207 17.624 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.632 19.088 -2.881 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.142 18.118 -4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.785 19.710 -1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.161 20.800 -1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.615 19.895 -4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.750 20.905 -2.625 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.509 16.654 -5.703 1.00 0.00 N ATOM 1190 CA GLN A 82 0.939 16.503 -5.668 1.00 0.00 C ATOM 1191 C GLN A 82 1.592 17.711 -5.004 1.00 0.00 C ATOM 1192 O GLN A 82 1.257 18.860 -5.289 1.00 0.00 O ATOM 1193 CB GLN A 82 1.478 16.287 -7.084 1.00 0.00 C ATOM 1194 CG GLN A 82 0.941 14.963 -7.643 1.00 0.00 C ATOM 1195 CD GLN A 82 1.422 13.785 -6.799 1.00 0.00 C ATOM 1196 OE1 GLN A 82 2.623 13.642 -6.582 1.00 0.00 O ATOM 1197 NE2 GLN A 82 0.555 13.085 -6.117 1.00 0.00 N ATOM 0 H GLN A 82 -0.852 17.395 -6.314 1.00 0.00 H new ATOM 0 HA GLN A 82 1.188 15.626 -5.071 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.178 17.114 -7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.568 16.272 -7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.149 14.985 -7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.272 14.837 -8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.443 13.199 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.876 12.425 -5.409 1.00 0.00 H new ATOM 1206 N LYS A 83 2.126 17.370 -3.839 1.00 0.00 N ATOM 1207 CA LYS A 83 3.031 18.196 -3.049 1.00 0.00 C ATOM 1208 C LYS A 83 4.165 17.251 -2.671 1.00 0.00 C ATOM 1209 O LYS A 83 4.028 16.049 -2.920 1.00 0.00 O ATOM 1210 CB LYS A 83 2.311 18.690 -1.785 1.00 0.00 C ATOM 1211 CG LYS A 83 1.093 19.549 -2.153 1.00 0.00 C ATOM 1212 CD LYS A 83 1.500 20.837 -2.874 1.00 0.00 C ATOM 1213 CE LYS A 83 0.251 21.647 -3.226 1.00 0.00 C ATOM 1214 NZ LYS A 83 0.655 22.908 -3.911 1.00 0.00 N ATOM 0 H LYS A 83 1.932 16.471 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 83 3.382 19.076 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.993 17.837 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.000 19.271 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.422 18.973 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.538 19.799 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.161 21.427 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.057 20.598 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.404 21.063 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.314 21.876 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.193 23.460 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.264 23.466 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.176 22.679 -4.781 1.00 0.00 H new ATOM 1228 N ARG A 84 5.285 17.711 -2.112 1.00 0.00 N ATOM 1229 CA ARG A 84 6.171 16.676 -1.591 1.00 0.00 C ATOM 1230 C ARG A 84 5.629 16.319 -0.207 1.00 0.00 C ATOM 1231 O ARG A 84 6.409 16.032 0.704 1.00 0.00 O ATOM 1232 CB ARG A 84 7.547 17.322 -1.388 1.00 0.00 C ATOM 1233 CG ARG A 84 8.170 17.755 -2.717 1.00 0.00 C ATOM 1234 CD ARG A 84 9.502 18.453 -2.426 1.00 0.00 C ATOM 1235 NE ARG A 84 10.126 18.926 -3.657 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.215 19.689 -3.616 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.775 19.968 -2.470 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.582 20.347 -4.681 1.00 0.00 N ATOM 0 H ARG A 84 5.579 18.683 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 84 6.234 15.809 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.450 18.187 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.210 16.616 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.329 16.890 -3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.498 18.429 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.336 19.294 -1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.174 17.763 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 84 9.723 18.669 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.378 19.601 -1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.610 20.553 -2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.035 20.275 -5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.416 20.934 -4.656 1.00 0.00 H new ATOM 1252 N MET A 85 4.361 15.905 -0.206 1.00 0.00 N ATOM 1253 CA MET A 85 3.788 14.856 0.622 1.00 0.00 C ATOM 1254 C MET A 85 2.657 14.204 -0.175 1.00 0.00 C ATOM 1255 O MET A 85 1.680 14.899 -0.448 1.00 0.00 O ATOM 1256 CB MET A 85 3.217 15.536 1.873 1.00 0.00 C ATOM 1257 CG MET A 85 3.949 15.085 3.138 1.00 0.00 C ATOM 1258 SD MET A 85 3.510 13.369 3.512 1.00 0.00 S ATOM 1259 CE MET A 85 4.176 13.336 5.194 1.00 0.00 C ATOM 0 H MET A 85 3.667 16.324 -0.825 1.00 0.00 H new ATOM 0 HA MET A 85 4.522 14.101 0.903 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.299 16.618 1.770 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.156 15.304 1.963 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.026 15.174 2.998 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.682 15.730 3.975 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.013 12.351 5.631 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.245 13.549 5.166 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.672 14.089 5.800 1.00 0.00 H new ATOM 1269 N PRO A 86 2.719 12.943 -0.634 1.00 0.00 N ATOM 1270 CA PRO A 86 1.584 12.413 -1.448 1.00 0.00 C ATOM 1271 C PRO A 86 0.293 12.402 -0.630 1.00 0.00 C ATOM 1272 O PRO A 86 0.287 11.976 0.525 1.00 0.00 O ATOM 1273 CB PRO A 86 2.030 10.997 -1.830 1.00 0.00 C ATOM 1274 CG PRO A 86 3.515 10.969 -1.647 1.00 0.00 C ATOM 1275 CD PRO A 86 3.866 12.021 -0.591 1.00 0.00 C ATOM 0 HA PRO A 86 1.366 13.022 -2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.545 10.252 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.759 10.767 -2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.844 9.980 -1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.022 11.185 -2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.986 11.575 0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.800 12.531 -0.826 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.814 12.768 -1.274 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.129 12.766 -0.635 1.00 0.00 C ATOM 1285 C HIS A 87 -3.224 12.439 -1.646 1.00 0.00 C ATOM 1286 O HIS A 87 -3.235 12.978 -2.755 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.402 14.125 0.015 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.717 14.194 1.353 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -0.375 14.516 1.489 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -2.154 13.887 2.619 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -0.027 14.258 2.763 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -1.091 13.972 3.514 1.00 0.00 N ATOM 0 H HIS A 87 -0.825 13.073 -2.247 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.133 11.995 0.136 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.042 14.926 -0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.475 14.272 0.137 1.00 0.00 H new ATOM 0 HD1 HIS A 87 0.236 14.881 0.758 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.168 13.620 2.880 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.988 14.280 3.131 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.212 11.666 -1.200 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.454 11.477 -1.947 1.00 0.00 C ATOM 1303 C ILE A 88 -6.673 11.700 -1.051 1.00 0.00 C ATOM 1304 O ILE A 88 -6.596 11.496 0.163 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.491 10.078 -2.569 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.437 9.014 -1.467 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.284 9.908 -3.499 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.669 7.626 -2.070 1.00 0.00 C ATOM 0 H ILE A 88 -4.175 11.156 -0.317 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.487 12.216 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.415 9.960 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.469 9.045 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.194 9.223 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.305 8.913 -3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.323 10.660 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.364 10.030 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.629 6.875 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.647 7.597 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.896 7.417 -2.809 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.743 12.260 -1.619 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.980 12.485 -0.868 1.00 0.00 C ATOM 1322 C VAL A 89 -10.155 11.710 -1.469 1.00 0.00 C ATOM 1323 O VAL A 89 -10.534 11.939 -2.616 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.303 13.986 -0.829 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.293 14.710 0.072 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.254 14.595 -2.235 1.00 0.00 C ATOM 0 H VAL A 89 -7.778 12.565 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.826 12.119 0.147 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.311 14.107 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.526 15.775 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.349 14.303 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.287 14.568 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.486 15.658 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.256 14.463 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.984 14.097 -2.873 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.869 10.980 -0.609 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.866 10.009 -1.054 1.00 0.00 C ATOM 1338 C VAL A 90 -13.222 10.304 -0.409 1.00 0.00 C ATOM 1339 O VAL A 90 -13.358 10.204 0.808 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.394 8.598 -0.681 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.531 7.592 -0.886 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.186 8.204 -1.540 1.00 0.00 C ATOM 0 H VAL A 90 -10.773 11.045 0.404 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.982 10.079 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.100 8.591 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.186 6.593 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.377 7.865 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.841 7.601 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.858 7.201 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.467 8.221 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.373 8.910 -1.370 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.259 10.329 -1.243 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.629 10.525 -0.780 1.00 0.00 C ATOM 1354 C LYS A 91 -16.555 9.581 -1.539 1.00 0.00 C ATOM 1355 O LYS A 91 -16.609 9.689 -2.759 1.00 0.00 O ATOM 1356 CB LYS A 91 -16.103 11.979 -0.973 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.743 12.587 -2.342 1.00 0.00 C ATOM 1358 CD LYS A 91 -14.235 12.807 -2.532 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.975 13.436 -3.902 1.00 0.00 C ATOM 1360 NZ LYS A 91 -12.511 13.658 -4.076 1.00 0.00 N ATOM 0 H LYS A 91 -14.174 10.215 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.656 10.309 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.185 12.016 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.668 12.598 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.109 11.930 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.259 13.540 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.850 13.455 -1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.706 11.857 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.351 12.785 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.510 14.382 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.355 14.492 -4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.071 13.814 -3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.084 12.823 -4.526 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.535 9.015 -0.835 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.687 8.432 -1.520 1.00 0.00 C ATOM 1376 C CYS A 92 -19.808 9.447 -1.665 1.00 0.00 C ATOM 1377 O CYS A 92 -20.215 10.074 -0.687 1.00 0.00 O ATOM 1378 CB CYS A 92 -19.274 7.179 -0.860 1.00 0.00 C ATOM 1379 SG CYS A 92 -18.040 6.196 0.017 1.00 0.00 S ATOM 0 H CYS A 92 -17.556 8.948 0.183 1.00 0.00 H new ATOM 0 HA CYS A 92 -18.286 8.131 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -20.056 7.476 -0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -19.746 6.561 -1.624 1.00 0.00 H new ATOM 0 HG CYS A 92 -18.573 5.683 1.086 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.561 9.180 -2.723 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.941 9.623 -2.841 1.00 0.00 C ATOM 1386 C LEU A 93 -22.768 8.982 -1.727 1.00 0.00 C ATOM 1387 O LEU A 93 -23.815 9.517 -1.360 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.469 9.192 -4.213 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.733 9.997 -5.293 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -22.035 9.416 -6.677 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -22.136 11.475 -5.236 1.00 0.00 C ATOM 0 H LEU A 93 -20.229 8.647 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 93 -22.009 10.707 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.309 8.124 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.543 9.366 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.661 9.928 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.509 9.994 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.704 8.378 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -23.108 9.462 -6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.603 12.028 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -23.210 11.566 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.882 11.884 -4.258 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.482 7.708 -1.472 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.286 6.892 -0.567 1.00 0.00 C ATOM 1405 C GLU A 94 -23.323 7.447 0.859 1.00 0.00 C ATOM 1406 O GLU A 94 -24.404 7.808 1.323 1.00 0.00 O ATOM 1407 CB GLU A 94 -22.624 5.514 -0.518 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.765 4.781 -1.855 1.00 0.00 C ATOM 1409 CD GLU A 94 -21.983 3.469 -1.819 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -20.966 3.476 -1.140 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.070 2.764 -2.811 1.00 0.00 O ATOM 0 H GLU A 94 -21.691 7.214 -1.885 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.312 6.870 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.568 5.624 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.077 4.919 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.817 4.581 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.397 5.411 -2.665 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.169 7.801 1.431 1.00 0.00 N ATOM 1419 CA CYS A 95 -22.185 8.442 2.747 1.00 0.00 C ATOM 1420 C CYS A 95 -22.377 9.948 2.605 1.00 0.00 C ATOM 1421 O CYS A 95 -23.125 10.553 3.374 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.958 8.126 3.618 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.380 8.282 2.736 1.00 0.00 S ATOM 0 H CYS A 95 -21.245 7.662 1.022 1.00 0.00 H new ATOM 0 HA CYS A 95 -23.036 8.013 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.951 8.796 4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -21.049 7.111 4.005 1.00 0.00 H new ATOM 0 HG CYS A 95 -19.287 7.342 1.843 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.857 10.503 1.514 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.815 11.952 1.344 1.00 0.00 C ATOM 1430 C GLY A 96 -20.660 12.557 2.137 1.00 0.00 C ATOM 1431 O GLY A 96 -20.512 13.778 2.186 1.00 0.00 O ATOM 0 H GLY A 96 -21.460 9.974 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.704 12.196 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.757 12.389 1.674 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.735 11.691 2.550 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.648 12.068 3.452 1.00 0.00 C ATOM 1437 C HIS A 97 -17.289 11.877 2.785 1.00 0.00 C ATOM 1438 O HIS A 97 -17.104 10.970 1.975 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.711 11.244 4.745 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.888 11.692 5.568 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -21.186 11.289 5.302 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -19.952 12.408 6.739 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.971 11.777 6.281 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.251 12.365 7.238 1.00 0.00 N ATOM 0 H HIS A 97 -19.718 10.711 2.269 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.770 13.124 3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.801 10.184 4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.789 11.367 5.313 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.123 12.924 7.201 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -23.048 11.702 6.290 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -21.581 12.709 8.140 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.345 12.737 3.165 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.993 12.731 2.615 1.00 0.00 C ATOM 1455 C ILE A 98 -13.990 12.213 3.643 1.00 0.00 C ATOM 1456 O ILE A 98 -14.108 12.501 4.832 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.632 14.153 2.153 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.169 14.245 1.689 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.886 15.168 3.277 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.860 13.202 0.612 1.00 0.00 C ATOM 0 H ILE A 98 -16.499 13.461 3.867 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.953 12.058 1.759 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.273 14.390 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.971 15.243 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.505 14.099 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.624 16.168 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.939 15.145 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.275 14.913 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.818 13.293 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.034 12.203 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.507 13.366 -0.249 1.00 0.00 H new ATOM 1472 N MET A 99 -13.229 11.214 3.204 1.00 0.00 N ATOM 1473 CA MET A 99 -12.136 10.648 3.984 1.00 0.00 C ATOM 1474 C MET A 99 -10.810 10.943 3.291 1.00 0.00 C ATOM 1475 O MET A 99 -10.630 10.632 2.115 1.00 0.00 O ATOM 1476 CB MET A 99 -12.330 9.134 4.117 1.00 0.00 C ATOM 1477 CG MET A 99 -11.233 8.532 4.999 1.00 0.00 C ATOM 1478 SD MET A 99 -11.523 6.758 5.217 1.00 0.00 S ATOM 1479 CE MET A 99 -11.213 6.226 3.512 1.00 0.00 C ATOM 0 H MET A 99 -13.355 10.773 2.293 1.00 0.00 H new ATOM 0 HA MET A 99 -12.128 11.095 4.978 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.309 8.923 4.548 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.309 8.670 3.131 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.257 8.697 4.543 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.220 9.029 5.969 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.922 5.175 3.506 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.119 6.355 2.920 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.411 6.827 3.084 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.865 11.499 4.045 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.531 11.778 3.527 1.00 0.00 C ATOM 1491 C ARG A 100 -7.630 10.562 3.728 1.00 0.00 C ATOM 1492 O ARG A 100 -7.779 9.830 4.703 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.931 12.987 4.254 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.709 14.256 3.893 1.00 0.00 C ATOM 1495 CD ARG A 100 -8.119 15.446 4.652 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.834 16.671 4.308 1.00 0.00 N ATOM 1497 CZ ARG A 100 -9.933 17.049 4.956 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -10.422 16.317 5.917 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -10.563 18.128 4.580 1.00 0.00 N ATOM 0 H ARG A 100 -10.001 11.766 5.020 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.605 11.999 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.962 12.826 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.883 13.103 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.658 14.434 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.762 14.135 4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.183 15.269 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.062 15.553 4.409 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.481 17.254 3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.962 15.445 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.265 16.616 6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.212 18.676 3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.406 18.424 5.072 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.827 10.257 2.710 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.879 9.149 2.786 1.00 0.00 C ATOM 1515 C TYR A 101 -4.465 9.642 2.482 1.00 0.00 C ATOM 1516 O TYR A 101 -4.181 10.027 1.350 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.286 8.050 1.798 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.169 6.696 2.459 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -7.128 6.278 3.392 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -5.071 5.881 2.167 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -7.003 5.023 3.999 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -4.949 4.629 2.773 1.00 0.00 C ATOM 1523 CZ TYR A 101 -5.934 4.183 3.661 1.00 0.00 C ATOM 1524 OH TYR A 101 -5.855 2.915 4.200 1.00 0.00 O ATOM 0 H TYR A 101 -6.815 10.762 1.824 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.891 8.738 3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.310 8.213 1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.649 8.089 0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.959 6.921 3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.317 6.220 1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -7.731 4.702 4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -4.095 4.005 2.556 1.00 0.00 H new ATOM 0 HH TYR A 101 -5.053 2.465 3.861 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.651 9.879 3.527 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.204 10.203 3.357 1.00 0.00 C ATOM 1536 C PRO A 102 -1.452 9.057 2.690 1.00 0.00 C ATOM 1537 O PRO A 102 -1.758 7.886 2.923 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.692 10.435 4.785 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.909 10.636 5.626 1.00 0.00 C ATOM 1540 CD PRO A 102 -4.042 9.871 4.945 1.00 0.00 C ATOM 0 HA PRO A 102 -2.053 11.070 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.111 9.582 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.038 11.306 4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.746 10.266 6.638 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.152 11.695 5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.131 8.856 5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.005 10.357 5.099 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.475 9.401 1.854 1.00 0.00 N ATOM 1549 CA TYR A 103 0.386 8.397 1.236 1.00 0.00 C ATOM 1550 C TYR A 103 1.829 8.891 1.151 1.00 0.00 C ATOM 1551 O TYR A 103 2.091 10.083 1.284 1.00 0.00 O ATOM 1552 CB TYR A 103 -0.147 8.058 -0.160 1.00 0.00 C ATOM 1553 CG TYR A 103 0.702 6.984 -0.802 1.00 0.00 C ATOM 1554 CD1 TYR A 103 0.548 5.645 -0.410 1.00 0.00 C ATOM 1555 CD2 TYR A 103 1.495 7.289 -1.917 1.00 0.00 C ATOM 1556 CE1 TYR A 103 1.321 4.646 -1.012 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.199 6.273 -2.572 1.00 0.00 C ATOM 1558 CZ TYR A 103 2.177 4.966 -2.071 1.00 0.00 C ATOM 1559 OH TYR A 103 3.160 4.074 -2.449 1.00 0.00 O ATOM 0 H TYR A 103 -0.261 10.363 1.590 1.00 0.00 H new ATOM 0 HA TYR A 103 0.378 7.499 1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.181 7.719 -0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.146 8.952 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.167 5.386 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.562 8.307 -2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.257 3.627 -0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.761 6.498 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 103 3.668 4.446 -3.200 1.00 0.00 H new