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 99 MET CE :methyl -159:sc= -0.107 (180deg=-0.574) USER MOD Set 1.2: A 101 TYR OH : rot 99:sc= 1 USER MOD Set 2.1: A 63 CYS SG : rot 143:sc= 0.235 USER MOD Set 2.2: A 66 CYS SG : rot 105:sc= -8.67! USER MOD Set 2.3: A 75 ASN :FLIP amide:sc= -1.93 F(o=-14!,f=-11) USER MOD Set 2.4: A 92 CYS SG : rot -101:sc= -1.7! USER MOD Set 2.5: A 95 CYS SG : rot 9:sc= 1.07 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 0.315 (180deg=-0.0624!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.64 F(o=-2.8!,f=-1.6) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -118:sc= 0.611 (180deg=-0.285) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.324 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 HE2:sc= -3.21 K(o=-3.2,f=-3.9) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) 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 HD1:sc= -4.43 K(o=-4.4,f=-6.6!) USER MOD Single : A 91 LYS NZ :NH3+ 140:sc= -2.96! (180deg=-5.74!) USER MOD Single : A 97 HIS : no HD1:sc=-0.000827 K(o=-0.00083,f=-2.5!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -18.367 -19.331 0.629 1.00 0.00 N ATOM 24 CA GLU A 16 -18.957 -19.376 -0.703 1.00 0.00 C ATOM 25 C GLU A 16 -20.273 -18.598 -0.724 1.00 0.00 C ATOM 26 O GLU A 16 -20.602 -17.965 -1.720 1.00 0.00 O ATOM 27 CB GLU A 16 -19.157 -20.841 -1.110 1.00 0.00 C ATOM 28 CG GLU A 16 -19.717 -20.935 -2.534 1.00 0.00 C ATOM 29 CD GLU A 16 -19.875 -22.385 -3.004 1.00 0.00 C ATOM 30 OE1 GLU A 16 -19.787 -23.289 -2.189 1.00 0.00 O ATOM 31 OE2 GLU A 16 -20.167 -22.569 -4.175 1.00 0.00 O ATOM 0 HA GLU A 16 -18.290 -18.904 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.207 -21.373 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.839 -21.328 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.685 -20.435 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.055 -20.404 -3.218 1.00 0.00 H new ATOM 38 N ARG A 17 -21.057 -18.719 0.345 1.00 0.00 N ATOM 39 CA ARG A 17 -22.364 -18.070 0.407 1.00 0.00 C ATOM 40 C ARG A 17 -22.233 -16.548 0.353 1.00 0.00 C ATOM 41 O ARG A 17 -23.015 -15.867 -0.319 1.00 0.00 O ATOM 42 CB ARG A 17 -23.001 -18.411 1.761 1.00 0.00 C ATOM 43 CG ARG A 17 -23.434 -19.880 1.805 1.00 0.00 C ATOM 44 CD ARG A 17 -23.964 -20.195 3.208 1.00 0.00 C ATOM 45 NE ARG A 17 -25.153 -19.396 3.488 1.00 0.00 N ATOM 46 CZ ARG A 17 -26.375 -19.801 3.152 1.00 0.00 C ATOM 47 NH1 ARG A 17 -26.541 -20.919 2.496 1.00 0.00 N ATOM 48 NH2 ARG A 17 -27.410 -19.060 3.444 1.00 0.00 N ATOM 0 H ARG A 17 -20.812 -19.257 1.176 1.00 0.00 H new ATOM 0 HA ARG A 17 -22.958 -18.416 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.290 -18.213 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.864 -17.768 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.206 -20.069 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -22.592 -20.529 1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.203 -21.256 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.194 -19.987 3.951 1.00 0.00 H new ATOM 0 HE ARG A 17 -25.043 -18.497 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -25.732 -21.485 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -27.480 -21.226 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -27.281 -18.172 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -28.347 -19.369 3.187 1.00 0.00 H new ATOM 62 N ILE A 18 -21.276 -16.035 1.112 1.00 0.00 N ATOM 63 CA ILE A 18 -20.998 -14.604 1.136 1.00 0.00 C ATOM 64 C ILE A 18 -20.375 -14.140 -0.185 1.00 0.00 C ATOM 65 O ILE A 18 -20.485 -12.975 -0.533 1.00 0.00 O ATOM 66 CB ILE A 18 -20.212 -14.188 2.390 1.00 0.00 C ATOM 67 CG1 ILE A 18 -20.167 -12.657 2.483 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.790 -14.764 2.407 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.736 -12.213 3.886 1.00 0.00 C ATOM 0 H ILE A 18 -20.676 -16.590 1.722 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.946 -14.072 1.218 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.730 -14.598 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -19.472 -12.263 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.149 -12.244 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.277 -14.441 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.838 -15.853 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.243 -14.408 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -19.710 -11.124 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -20.447 -12.590 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.744 -12.609 4.104 1.00 0.00 H new ATOM 81 N ASP A 19 -19.505 -14.976 -0.744 1.00 0.00 N ATOM 82 CA ASP A 19 -18.754 -14.624 -1.940 1.00 0.00 C ATOM 83 C ASP A 19 -19.704 -14.413 -3.124 1.00 0.00 C ATOM 84 O ASP A 19 -19.442 -13.585 -3.993 1.00 0.00 O ATOM 85 CB ASP A 19 -17.755 -15.750 -2.265 1.00 0.00 C ATOM 86 CG ASP A 19 -16.448 -15.618 -1.496 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.253 -14.631 -0.796 1.00 0.00 O ATOM 88 OD2 ASP A 19 -15.691 -16.577 -1.511 1.00 0.00 O ATOM 0 H ASP A 19 -19.303 -15.908 -0.383 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.212 -13.695 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.212 -16.713 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.544 -15.745 -3.334 1.00 0.00 H new ATOM 93 N ILE A 20 -20.780 -15.197 -3.164 1.00 0.00 N ATOM 94 CA ILE A 20 -21.829 -14.987 -4.150 1.00 0.00 C ATOM 95 C ILE A 20 -22.487 -13.621 -3.931 1.00 0.00 C ATOM 96 O ILE A 20 -22.662 -12.848 -4.877 1.00 0.00 O ATOM 97 CB ILE A 20 -22.884 -16.094 -4.006 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.299 -17.446 -4.442 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.088 -15.742 -4.882 1.00 0.00 C ATOM 100 CD1 ILE A 20 -23.243 -18.588 -4.041 1.00 0.00 C ATOM 0 H ILE A 20 -20.944 -15.977 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.397 -15.016 -5.150 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.192 -16.172 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -22.146 -17.453 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -21.322 -17.593 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -24.845 -16.520 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.506 -14.788 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.771 -15.666 -5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -22.816 -19.540 -4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -23.374 -18.589 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.210 -18.447 -4.523 1.00 0.00 H new ATOM 112 N LEU A 21 -22.728 -13.304 -2.666 1.00 0.00 N ATOM 113 CA LEU A 21 -23.325 -12.036 -2.253 1.00 0.00 C ATOM 114 C LEU A 21 -22.402 -10.873 -2.626 1.00 0.00 C ATOM 115 O LEU A 21 -22.870 -9.790 -2.965 1.00 0.00 O ATOM 116 CB LEU A 21 -23.669 -12.045 -0.756 1.00 0.00 C ATOM 117 CG LEU A 21 -24.350 -10.732 -0.356 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.611 -10.503 -1.200 1.00 0.00 C ATOM 119 CD2 LEU A 21 -24.767 -10.823 1.113 1.00 0.00 C ATOM 0 H LEU A 21 -22.513 -13.926 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.265 -11.900 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -24.326 -12.886 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.761 -12.185 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 21 -23.653 -9.909 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.082 -9.566 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -25.339 -10.454 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -26.308 -11.326 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -25.253 -9.894 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.460 -11.654 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -23.885 -10.986 1.732 1.00 0.00 H new ATOM 131 N PHE A 22 -21.101 -11.079 -2.445 1.00 0.00 N ATOM 132 CA PHE A 22 -20.077 -10.126 -2.862 1.00 0.00 C ATOM 133 C PHE A 22 -20.181 -9.851 -4.360 1.00 0.00 C ATOM 134 O PHE A 22 -20.115 -8.694 -4.776 1.00 0.00 O ATOM 135 CB PHE A 22 -18.688 -10.662 -2.487 1.00 0.00 C ATOM 136 CG PHE A 22 -17.573 -9.809 -3.052 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.685 -8.406 -3.068 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.715 -10.411 -3.986 1.00 0.00 C ATOM 139 CE1 PHE A 22 -17.013 -7.681 -4.066 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.752 -9.639 -4.641 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.923 -8.257 -4.725 1.00 0.00 C ATOM 0 H PHE A 22 -20.725 -11.917 -2.002 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.232 -9.180 -2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.597 -10.703 -1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.583 -11.683 -2.854 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -18.278 -7.895 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.799 -11.467 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -17.337 -6.683 -4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.883 -10.108 -5.078 1.00 0.00 H new ATOM 0 HZ PHE A 22 -15.230 -7.647 -5.286 1.00 0.00 H new ATOM 151 N SER A 23 -20.360 -10.900 -5.157 1.00 0.00 N ATOM 152 CA SER A 23 -20.548 -10.736 -6.595 1.00 0.00 C ATOM 153 C SER A 23 -21.781 -9.876 -6.863 1.00 0.00 C ATOM 154 O SER A 23 -21.777 -9.074 -7.799 1.00 0.00 O ATOM 155 CB SER A 23 -20.719 -12.093 -7.283 1.00 0.00 C ATOM 156 OG SER A 23 -20.499 -11.942 -8.679 1.00 0.00 O ATOM 0 H SER A 23 -20.379 -11.867 -4.834 1.00 0.00 H new ATOM 0 HA SER A 23 -19.661 -10.247 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 23 -20.016 -12.815 -6.868 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.721 -12.483 -7.101 1.00 0.00 H new ATOM 0 HG SER A 23 -20.606 -12.809 -9.123 1.00 0.00 H new ATOM 162 N LEU A 24 -22.860 -10.107 -6.114 1.00 0.00 N ATOM 163 CA LEU A 24 -24.082 -9.322 -6.280 1.00 0.00 C ATOM 164 C LEU A 24 -23.818 -7.853 -5.972 1.00 0.00 C ATOM 165 O LEU A 24 -24.317 -6.978 -6.673 1.00 0.00 O ATOM 166 CB LEU A 24 -25.160 -9.787 -5.297 1.00 0.00 C ATOM 167 CG LEU A 24 -25.670 -11.186 -5.653 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.556 -11.693 -4.511 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.474 -11.140 -6.957 1.00 0.00 C ATOM 0 H LEU A 24 -22.912 -10.826 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.410 -9.455 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.755 -9.792 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.991 -9.082 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.824 -11.859 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.926 -12.689 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.974 -11.735 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.399 -11.016 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.831 -12.141 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.325 -10.470 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.838 -10.776 -7.764 1.00 0.00 H new ATOM 181 N ALA A 25 -23.053 -7.593 -4.915 1.00 0.00 N ATOM 182 CA ALA A 25 -22.709 -6.220 -4.562 1.00 0.00 C ATOM 183 C ALA A 25 -21.879 -5.577 -5.667 1.00 0.00 C ATOM 184 O ALA A 25 -21.930 -4.364 -5.856 1.00 0.00 O ATOM 185 CB ALA A 25 -21.915 -6.194 -3.254 1.00 0.00 C ATOM 0 H ALA A 25 -22.664 -8.304 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.635 -5.658 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.664 -5.164 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.516 -6.628 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.998 -6.772 -3.373 1.00 0.00 H new ATOM 191 N GLU A 26 -20.984 -6.358 -6.265 1.00 0.00 N ATOM 192 CA GLU A 26 -20.056 -5.802 -7.240 1.00 0.00 C ATOM 193 C GLU A 26 -20.779 -5.313 -8.496 1.00 0.00 C ATOM 194 O GLU A 26 -20.245 -4.434 -9.167 1.00 0.00 O ATOM 195 CB GLU A 26 -19.000 -6.859 -7.582 1.00 0.00 C ATOM 196 CG GLU A 26 -17.944 -6.297 -8.546 1.00 0.00 C ATOM 197 CD GLU A 26 -16.852 -7.322 -8.850 1.00 0.00 C ATOM 198 OE1 GLU A 26 -17.115 -8.507 -8.726 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.852 -6.916 -9.418 1.00 0.00 O ATOM 0 H GLU A 26 -20.883 -7.359 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.568 -4.930 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.516 -7.202 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.482 -7.727 -8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.425 -5.992 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.494 -5.404 -8.112 1.00 0.00 H new ATOM 206 N ARG A 27 -21.751 -6.066 -9.015 1.00 0.00 N ATOM 207 CA ARG A 27 -22.493 -5.600 -10.189 1.00 0.00 C ATOM 208 C ARG A 27 -23.325 -4.347 -9.934 1.00 0.00 C ATOM 209 O ARG A 27 -23.464 -3.499 -10.814 1.00 0.00 O ATOM 210 CB ARG A 27 -23.459 -6.663 -10.710 1.00 0.00 C ATOM 211 CG ARG A 27 -22.724 -7.846 -11.340 1.00 0.00 C ATOM 212 CD ARG A 27 -23.764 -8.853 -11.840 1.00 0.00 C ATOM 213 NE ARG A 27 -24.469 -9.475 -10.726 1.00 0.00 N ATOM 214 CZ ARG A 27 -25.434 -10.374 -10.934 1.00 0.00 C ATOM 215 NH1 ARG A 27 -25.841 -10.629 -12.152 1.00 0.00 N ATOM 216 NH2 ARG A 27 -26.222 -10.706 -9.950 1.00 0.00 N ATOM 0 H ARG A 27 -22.038 -6.976 -8.654 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.714 -5.377 -10.918 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -24.083 -7.019 -9.890 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -24.126 -6.216 -11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -22.098 -7.507 -12.165 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -22.064 -8.314 -10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.479 -8.350 -12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -23.273 -9.621 -12.438 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.221 -9.219 -9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -25.421 -10.141 -12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -26.578 -11.316 -12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.098 -10.280 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -26.962 -11.392 -10.099 1.00 0.00 H new ATOM 230 N VAL A 28 -24.018 -4.319 -8.792 1.00 0.00 N ATOM 231 CA VAL A 28 -24.834 -3.167 -8.425 1.00 0.00 C ATOM 232 C VAL A 28 -23.926 -1.963 -8.194 1.00 0.00 C ATOM 233 O VAL A 28 -24.276 -0.829 -8.516 1.00 0.00 O ATOM 234 CB VAL A 28 -25.712 -3.489 -7.207 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.852 -3.795 -5.979 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.642 -2.308 -6.905 1.00 0.00 C ATOM 0 H VAL A 28 -24.028 -5.079 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.517 -2.920 -9.238 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.308 -4.371 -7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.497 -4.020 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.213 -4.654 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.232 -2.930 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.261 -2.545 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.046 -1.420 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.281 -2.118 -7.767 1.00 0.00 H new ATOM 246 N PHE A 29 -22.754 -2.237 -7.635 1.00 0.00 N ATOM 247 CA PHE A 29 -21.854 -1.195 -7.165 1.00 0.00 C ATOM 248 C PHE A 29 -21.600 -0.102 -8.208 1.00 0.00 C ATOM 249 O PHE A 29 -21.765 1.074 -7.892 1.00 0.00 O ATOM 250 CB PHE A 29 -20.557 -1.884 -6.729 1.00 0.00 C ATOM 251 CG PHE A 29 -19.421 -0.901 -6.610 1.00 0.00 C ATOM 252 CD1 PHE A 29 -19.454 0.025 -5.569 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.212 -1.158 -7.273 1.00 0.00 C ATOM 254 CE1 PHE A 29 -18.320 0.765 -5.259 1.00 0.00 C ATOM 255 CE2 PHE A 29 -17.072 -0.416 -6.953 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.112 0.515 -5.910 1.00 0.00 C ATOM 0 H PHE A 29 -22.403 -3.184 -7.496 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.312 -0.668 -6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.712 -2.380 -5.771 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.295 -2.658 -7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.362 0.167 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.162 -1.928 -8.029 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.374 1.540 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.159 -0.562 -7.512 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.215 1.036 -5.611 1.00 0.00 H new ATOM 266 N PRO A 30 -21.068 -0.426 -9.402 1.00 0.00 N ATOM 267 CA PRO A 30 -20.989 0.569 -10.514 1.00 0.00 C ATOM 268 C PRO A 30 -22.341 1.079 -11.006 1.00 0.00 C ATOM 269 O PRO A 30 -22.412 2.161 -11.594 1.00 0.00 O ATOM 270 CB PRO A 30 -20.289 -0.206 -11.632 1.00 0.00 C ATOM 271 CG PRO A 30 -20.571 -1.650 -11.370 1.00 0.00 C ATOM 272 CD PRO A 30 -20.745 -1.790 -9.859 1.00 0.00 C ATOM 0 HA PRO A 30 -20.472 1.470 -10.182 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.666 0.094 -12.610 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.217 -0.011 -11.630 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.470 -1.971 -11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.753 -2.276 -11.726 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.543 -2.491 -9.614 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.836 -2.163 -9.387 1.00 0.00 H new ATOM 280 N TYR A 31 -23.356 0.221 -10.945 1.00 0.00 N ATOM 281 CA TYR A 31 -24.674 0.569 -11.476 1.00 0.00 C ATOM 282 C TYR A 31 -25.272 1.765 -10.741 1.00 0.00 C ATOM 283 O TYR A 31 -25.527 2.805 -11.346 1.00 0.00 O ATOM 284 CB TYR A 31 -25.612 -0.641 -11.407 1.00 0.00 C ATOM 285 CG TYR A 31 -26.993 -0.236 -11.874 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.246 -0.022 -13.237 1.00 0.00 C ATOM 287 CD2 TYR A 31 -28.042 -0.135 -10.950 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.479 0.510 -13.640 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.279 0.381 -11.354 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.509 0.671 -12.705 1.00 0.00 C ATOM 291 OH TYR A 31 -30.772 1.036 -13.125 1.00 0.00 O ATOM 0 H TYR A 31 -23.294 -0.712 -10.538 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.553 0.855 -12.521 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.228 -1.448 -12.030 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.658 -1.021 -10.386 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.494 -0.266 -13.973 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.896 -0.455 -9.929 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -28.634 0.795 -14.670 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.056 0.555 -10.624 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.368 1.103 -12.350 1.00 0.00 H new ATOM 301 N SER A 32 -25.209 1.700 -9.412 1.00 0.00 N ATOM 302 CA SER A 32 -25.810 2.711 -8.551 1.00 0.00 C ATOM 303 C SER A 32 -25.238 2.590 -7.143 1.00 0.00 C ATOM 304 O SER A 32 -25.397 1.565 -6.483 1.00 0.00 O ATOM 305 CB SER A 32 -27.330 2.548 -8.493 1.00 0.00 C ATOM 306 OG SER A 32 -27.939 3.783 -8.844 1.00 0.00 O ATOM 0 H SER A 32 -24.742 0.948 -8.906 1.00 0.00 H new ATOM 0 HA SER A 32 -25.580 3.693 -8.965 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.651 1.762 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.639 2.246 -7.492 1.00 0.00 H new ATOM 0 HG SER A 32 -28.914 3.688 -8.811 1.00 0.00 H new ATOM 312 N PRO A 33 -24.488 3.597 -6.695 1.00 0.00 N ATOM 313 CA PRO A 33 -23.862 3.569 -5.341 1.00 0.00 C ATOM 314 C PRO A 33 -24.880 3.308 -4.233 1.00 0.00 C ATOM 315 O PRO A 33 -24.684 2.430 -3.394 1.00 0.00 O ATOM 316 CB PRO A 33 -23.247 4.964 -5.218 1.00 0.00 C ATOM 317 CG PRO A 33 -23.025 5.443 -6.611 1.00 0.00 C ATOM 318 CD PRO A 33 -24.117 4.801 -7.459 1.00 0.00 C ATOM 0 HA PRO A 33 -23.136 2.763 -5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -23.912 5.636 -4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.309 4.929 -4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.081 6.530 -6.663 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.036 5.157 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -24.967 5.470 -7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.754 4.547 -8.455 1.00 0.00 H new ATOM 326 N GLU A 34 -26.055 3.915 -4.368 1.00 0.00 N ATOM 327 CA GLU A 34 -27.099 3.796 -3.353 1.00 0.00 C ATOM 328 C GLU A 34 -27.654 2.373 -3.268 1.00 0.00 C ATOM 329 O GLU A 34 -27.977 1.899 -2.181 1.00 0.00 O ATOM 330 CB GLU A 34 -28.222 4.783 -3.692 1.00 0.00 C ATOM 331 CG GLU A 34 -29.326 4.749 -2.627 1.00 0.00 C ATOM 332 CD GLU A 34 -30.446 5.752 -2.928 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.256 6.623 -3.765 1.00 0.00 O ATOM 334 OE2 GLU A 34 -31.508 5.604 -2.344 1.00 0.00 O ATOM 0 H GLU A 34 -26.309 4.494 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.668 4.028 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -27.814 5.791 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -28.644 4.538 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -29.745 3.744 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -28.895 4.970 -1.651 1.00 0.00 H new ATOM 341 N LEU A 35 -27.863 1.731 -4.416 1.00 0.00 N ATOM 342 CA LEU A 35 -28.347 0.349 -4.424 1.00 0.00 C ATOM 343 C LEU A 35 -27.331 -0.584 -3.769 1.00 0.00 C ATOM 344 O LEU A 35 -27.635 -1.164 -2.728 1.00 0.00 O ATOM 345 CB LEU A 35 -28.659 -0.119 -5.849 1.00 0.00 C ATOM 346 CG LEU A 35 -29.898 0.614 -6.381 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.063 0.323 -7.876 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.152 0.155 -5.625 1.00 0.00 C ATOM 0 H LEU A 35 -27.708 2.136 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.271 0.317 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.805 0.073 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.831 -1.195 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.768 1.686 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.943 0.844 -8.253 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.179 0.667 -8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.184 -0.750 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.024 0.683 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.287 -0.918 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.037 0.374 -4.563 1.00 0.00 H new ATOM 360 N ALA A 36 -26.064 -0.343 -4.093 1.00 0.00 N ATOM 361 CA ALA A 36 -24.955 -1.121 -3.550 1.00 0.00 C ATOM 362 C ALA A 36 -24.875 -0.940 -2.042 1.00 0.00 C ATOM 363 O ALA A 36 -24.641 -1.890 -1.300 1.00 0.00 O ATOM 364 CB ALA A 36 -23.647 -0.672 -4.195 1.00 0.00 C ATOM 0 H ALA A 36 -25.778 0.394 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.122 -2.176 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.821 -1.255 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.702 -0.825 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.483 0.385 -3.986 1.00 0.00 H new ATOM 370 N LYS A 37 -25.186 0.277 -1.606 1.00 0.00 N ATOM 371 CA LYS A 37 -25.151 0.643 -0.197 1.00 0.00 C ATOM 372 C LYS A 37 -26.118 -0.228 0.591 1.00 0.00 C ATOM 373 O LYS A 37 -25.684 -0.953 1.483 1.00 0.00 O ATOM 374 CB LYS A 37 -25.547 2.124 -0.141 1.00 0.00 C ATOM 375 CG LYS A 37 -25.460 2.774 1.245 1.00 0.00 C ATOM 376 CD LYS A 37 -26.578 2.298 2.184 1.00 0.00 C ATOM 377 CE LYS A 37 -26.453 3.037 3.520 1.00 0.00 C ATOM 378 NZ LYS A 37 -27.557 2.619 4.431 1.00 0.00 N ATOM 0 H LYS A 37 -25.470 1.038 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.167 0.491 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -24.907 2.680 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.569 2.224 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -24.492 2.545 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -25.514 3.858 1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.553 2.490 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.506 1.222 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.488 2.819 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.492 4.114 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -27.320 2.884 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -28.439 3.092 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -27.683 1.588 4.373 1.00 0.00 H new ATOM 392 N ARG A 38 -27.336 -0.388 0.076 1.00 0.00 N ATOM 393 CA ARG A 38 -28.299 -1.292 0.706 1.00 0.00 C ATOM 394 C ARG A 38 -27.866 -2.759 0.628 1.00 0.00 C ATOM 395 O ARG A 38 -27.912 -3.461 1.638 1.00 0.00 O ATOM 396 CB ARG A 38 -29.663 -1.121 0.030 1.00 0.00 C ATOM 397 CG ARG A 38 -30.251 0.232 0.442 1.00 0.00 C ATOM 398 CD ARG A 38 -31.601 0.440 -0.248 1.00 0.00 C ATOM 399 NE ARG A 38 -32.173 1.721 0.158 1.00 0.00 N ATOM 400 CZ ARG A 38 -32.094 2.800 -0.621 1.00 0.00 C ATOM 401 NH1 ARG A 38 -31.532 2.715 -1.797 1.00 0.00 N ATOM 402 NH2 ARG A 38 -32.486 3.958 -0.166 1.00 0.00 N ATOM 0 H ARG A 38 -27.676 0.087 -0.760 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.357 -1.030 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.556 -1.172 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.333 -1.929 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.375 0.271 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.566 1.035 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -31.474 0.415 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.281 -0.371 0.012 1.00 0.00 H new ATOM 0 HE ARG A 38 -32.645 1.792 1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -31.154 1.824 -2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -31.471 3.540 -2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -32.852 4.036 0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -32.427 4.786 -0.759 1.00 0.00 H new ATOM 416 N TYR A 39 -27.330 -3.177 -0.517 1.00 0.00 N ATOM 417 CA TYR A 39 -26.895 -4.562 -0.681 1.00 0.00 C ATOM 418 C TYR A 39 -25.759 -4.957 0.260 1.00 0.00 C ATOM 419 O TYR A 39 -25.596 -6.148 0.511 1.00 0.00 O ATOM 420 CB TYR A 39 -26.514 -4.878 -2.130 1.00 0.00 C ATOM 421 CG TYR A 39 -27.756 -4.936 -2.990 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.620 -6.034 -2.881 1.00 0.00 C ATOM 423 CD2 TYR A 39 -28.094 -3.861 -3.816 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.873 -5.996 -3.495 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.288 -3.895 -4.547 1.00 0.00 C ATOM 426 CZ TYR A 39 -30.170 -4.971 -4.400 1.00 0.00 C ATOM 427 OH TYR A 39 -31.366 -4.982 -5.090 1.00 0.00 O ATOM 0 H TYR A 39 -27.188 -2.585 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.762 -5.164 -0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.834 -4.116 -2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.985 -5.830 -2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.317 -6.908 -2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.437 -3.007 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.610 -6.754 -3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.528 -3.090 -5.225 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.413 -4.198 -5.676 1.00 0.00 H new ATOM 437 N VAL A 40 -24.771 -4.078 0.418 1.00 0.00 N ATOM 438 CA VAL A 40 -23.618 -4.415 1.247 1.00 0.00 C ATOM 439 C VAL A 40 -24.039 -4.607 2.702 1.00 0.00 C ATOM 440 O VAL A 40 -23.473 -5.434 3.409 1.00 0.00 O ATOM 441 CB VAL A 40 -22.523 -3.347 1.159 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.426 -3.718 2.160 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.929 -3.309 -0.254 1.00 0.00 C ATOM 0 H VAL A 40 -24.745 -3.150 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.209 -5.350 0.865 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.941 -2.366 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.630 -2.974 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.846 -3.747 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.020 -4.698 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.152 -2.546 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.498 -4.281 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.714 -3.073 -0.972 1.00 0.00 H new ATOM 453 N GLU A 41 -24.872 -3.699 3.203 1.00 0.00 N ATOM 454 CA GLU A 41 -25.226 -3.698 4.618 1.00 0.00 C ATOM 455 C GLU A 41 -26.007 -4.958 4.972 1.00 0.00 C ATOM 456 O GLU A 41 -25.756 -5.573 6.005 1.00 0.00 O ATOM 457 CB GLU A 41 -26.031 -2.452 4.988 1.00 0.00 C ATOM 458 CG GLU A 41 -25.133 -1.209 4.888 1.00 0.00 C ATOM 459 CD GLU A 41 -25.882 0.088 5.195 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.078 0.038 5.438 1.00 0.00 O ATOM 461 OE2 GLU A 41 -25.187 1.035 5.527 1.00 0.00 O ATOM 0 H GLU A 41 -25.311 -2.960 2.654 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.301 -3.684 5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.887 -2.349 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.424 -2.548 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.297 -1.313 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.711 -1.151 3.885 1.00 0.00 H new ATOM 468 N LEU A 42 -26.673 -5.485 3.952 1.00 0.00 N ATOM 469 CA LEU A 42 -27.110 -6.872 3.961 1.00 0.00 C ATOM 470 C LEU A 42 -25.935 -7.843 4.059 1.00 0.00 C ATOM 471 O LEU A 42 -25.987 -8.769 4.866 1.00 0.00 O ATOM 472 CB LEU A 42 -27.870 -7.080 2.649 1.00 0.00 C ATOM 473 CG LEU A 42 -28.246 -8.547 2.414 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.148 -9.083 3.528 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.965 -8.638 1.065 1.00 0.00 C ATOM 0 H LEU A 42 -26.922 -4.970 3.107 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.735 -7.070 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.775 -6.473 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.258 -6.728 1.819 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.342 -9.156 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.394 -10.126 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.629 -9.010 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.065 -8.495 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.245 -9.673 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.861 -8.018 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.301 -8.288 0.275 1.00 0.00 H new ATOM 487 N ALA A 43 -24.852 -7.610 3.318 1.00 0.00 N ATOM 488 CA ALA A 43 -23.714 -8.523 3.380 1.00 0.00 C ATOM 489 C ALA A 43 -23.053 -8.543 4.758 1.00 0.00 C ATOM 490 O ALA A 43 -22.527 -9.578 5.161 1.00 0.00 O ATOM 491 CB ALA A 43 -22.680 -8.152 2.314 1.00 0.00 C ATOM 0 H ALA A 43 -24.740 -6.819 2.684 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.099 -9.525 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.836 -8.840 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.136 -8.217 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.330 -7.134 2.485 1.00 0.00 H new ATOM 497 N LEU A 44 -22.909 -7.378 5.387 1.00 0.00 N ATOM 498 CA LEU A 44 -22.326 -7.296 6.726 1.00 0.00 C ATOM 499 C LEU A 44 -23.167 -8.018 7.774 1.00 0.00 C ATOM 500 O LEU A 44 -22.627 -8.729 8.622 1.00 0.00 O ATOM 501 CB LEU A 44 -22.103 -5.836 7.128 1.00 0.00 C ATOM 502 CG LEU A 44 -20.785 -5.318 6.535 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.837 -5.322 5.005 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.534 -3.889 7.027 1.00 0.00 C ATOM 0 H LEU A 44 -23.187 -6.479 4.993 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.363 -7.804 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.934 -5.224 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -22.080 -5.750 8.214 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.978 -5.975 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.892 -4.951 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -21.006 -6.338 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.650 -4.679 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.599 -3.519 6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -21.354 -3.245 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -20.470 -3.885 8.115 1.00 0.00 H new ATOM 516 N LEU A 45 -24.484 -7.859 7.684 1.00 0.00 N ATOM 517 CA LEU A 45 -25.406 -8.605 8.532 1.00 0.00 C ATOM 518 C LEU A 45 -25.292 -10.101 8.264 1.00 0.00 C ATOM 519 O LEU A 45 -25.447 -10.894 9.180 1.00 0.00 O ATOM 520 CB LEU A 45 -26.848 -8.147 8.313 1.00 0.00 C ATOM 521 CG LEU A 45 -27.036 -6.728 8.865 1.00 0.00 C ATOM 522 CD1 LEU A 45 -28.396 -6.183 8.418 1.00 0.00 C ATOM 523 CD2 LEU A 45 -26.959 -6.751 10.398 1.00 0.00 C ATOM 0 H LEU A 45 -24.937 -7.219 7.031 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.134 -8.409 9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -27.088 -8.167 7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.536 -8.833 8.808 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.246 -6.083 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -28.531 -5.175 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -28.438 -6.158 7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -29.189 -6.828 8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -27.093 -5.741 10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -27.743 -7.397 10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.986 -7.132 10.708 1.00 0.00 H new ATOM 535 N VAL A 46 -25.177 -10.475 6.992 1.00 0.00 N ATOM 536 CA VAL A 46 -24.913 -11.863 6.625 1.00 0.00 C ATOM 537 C VAL A 46 -23.559 -12.304 7.184 1.00 0.00 C ATOM 538 O VAL A 46 -23.430 -13.420 7.676 1.00 0.00 O ATOM 539 CB VAL A 46 -24.949 -12.000 5.099 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.466 -13.387 4.663 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.384 -11.800 4.599 1.00 0.00 C ATOM 0 H VAL A 46 -25.262 -9.838 6.200 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.680 -12.509 7.052 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.289 -11.243 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.501 -13.459 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.442 -13.540 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.111 -14.150 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.408 -11.898 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.033 -12.553 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.733 -10.807 4.882 1.00 0.00 H new ATOM 551 N GLN A 47 -22.538 -11.461 7.044 1.00 0.00 N ATOM 552 CA GLN A 47 -21.171 -11.858 7.368 1.00 0.00 C ATOM 553 C GLN A 47 -21.004 -12.203 8.845 1.00 0.00 C ATOM 554 O GLN A 47 -20.329 -13.177 9.176 1.00 0.00 O ATOM 555 CB GLN A 47 -20.254 -10.674 7.052 1.00 0.00 C ATOM 556 CG GLN A 47 -18.782 -11.023 7.305 1.00 0.00 C ATOM 557 CD GLN A 47 -17.905 -9.802 7.025 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.674 -9.971 6.632 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -18.252 -8.702 7.439 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.632 -10.502 6.709 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.924 -12.745 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.386 -10.378 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.537 -9.819 7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.648 -11.350 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.480 -11.853 6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.212 -8.554 7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.581 -7.935 7.472 1.00 0.00 H new ATOM 568 N GLN A 48 -21.554 -11.371 9.727 1.00 0.00 N ATOM 569 CA GLN A 48 -21.570 -11.682 11.153 1.00 0.00 C ATOM 570 C GLN A 48 -22.434 -12.909 11.451 1.00 0.00 C ATOM 571 O GLN A 48 -21.999 -13.851 12.110 1.00 0.00 O ATOM 572 CB GLN A 48 -22.095 -10.453 11.911 1.00 0.00 C ATOM 573 CG GLN A 48 -23.550 -10.155 11.519 1.00 0.00 C ATOM 574 CD GLN A 48 -24.048 -8.881 12.192 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.373 -7.855 12.150 1.00 0.00 O ATOM 576 NE2 GLN A 48 -25.246 -8.858 12.709 1.00 0.00 N ATOM 0 H GLN A 48 -21.991 -10.483 9.481 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.558 -11.921 11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.031 -10.627 12.985 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.469 -9.588 11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.625 -10.052 10.436 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.186 -10.993 11.804 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.804 -9.711 12.742 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.625 -7.987 13.080 1.00 0.00 H new ATOM 585 N LYS A 49 -23.618 -12.916 10.846 1.00 0.00 N ATOM 586 CA LYS A 49 -24.645 -13.928 11.073 1.00 0.00 C ATOM 587 C LYS A 49 -24.223 -15.316 10.578 1.00 0.00 C ATOM 588 O LYS A 49 -24.547 -16.326 11.194 1.00 0.00 O ATOM 589 CB LYS A 49 -25.904 -13.409 10.373 1.00 0.00 C ATOM 590 CG LYS A 49 -27.124 -14.296 10.614 1.00 0.00 C ATOM 591 CD LYS A 49 -28.313 -13.609 9.930 1.00 0.00 C ATOM 592 CE LYS A 49 -29.616 -14.389 10.115 1.00 0.00 C ATOM 593 NZ LYS A 49 -30.719 -13.641 9.446 1.00 0.00 N ATOM 0 H LYS A 49 -23.896 -12.204 10.171 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.823 -14.072 12.139 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -26.119 -12.400 10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.716 -13.341 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.965 -15.293 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -27.309 -14.417 11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -28.432 -12.604 10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.105 -13.500 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.523 -15.387 9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -29.834 -14.515 11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -31.612 -14.161 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -30.808 -12.697 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.507 -13.543 8.433 1.00 0.00 H new ATOM 607 N ALA A 50 -23.615 -15.350 9.394 1.00 0.00 N ATOM 608 CA ALA A 50 -23.018 -16.565 8.842 1.00 0.00 C ATOM 609 C ALA A 50 -21.696 -16.885 9.533 1.00 0.00 C ATOM 610 O ALA A 50 -21.128 -17.958 9.332 1.00 0.00 O ATOM 611 CB ALA A 50 -22.784 -16.365 7.342 1.00 0.00 C ATOM 0 H ALA A 50 -23.522 -14.534 8.789 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.697 -17.401 9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -22.339 -17.266 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.735 -16.165 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -22.111 -15.521 7.188 1.00 0.00 H new ATOM 617 N LYS A 51 -21.181 -15.919 10.290 1.00 0.00 N ATOM 618 CA LYS A 51 -19.960 -16.112 11.060 1.00 0.00 C ATOM 619 C LYS A 51 -18.797 -16.542 10.167 1.00 0.00 C ATOM 620 O LYS A 51 -18.055 -17.462 10.507 1.00 0.00 O ATOM 621 CB LYS A 51 -20.201 -17.135 12.177 1.00 0.00 C ATOM 622 CG LYS A 51 -19.430 -16.714 13.431 1.00 0.00 C ATOM 623 CD LYS A 51 -19.789 -17.647 14.590 1.00 0.00 C ATOM 624 CE LYS A 51 -19.008 -17.234 15.840 1.00 0.00 C ATOM 625 NZ LYS A 51 -19.360 -18.140 16.969 1.00 0.00 N ATOM 0 H LYS A 51 -21.594 -14.991 10.385 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.686 -15.158 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.266 -17.204 12.398 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.878 -18.125 11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.357 -16.750 13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.673 -15.684 13.691 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.860 -17.604 14.787 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.555 -18.678 14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.937 -17.280 15.644 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.240 -16.202 16.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.829 -17.859 17.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.380 -18.075 17.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.117 -19.119 16.717 1.00 0.00 H new ATOM 639 N VAL A 52 -18.498 -15.707 9.175 1.00 0.00 N ATOM 640 CA VAL A 52 -17.402 -16.003 8.262 1.00 0.00 C ATOM 641 C VAL A 52 -16.332 -14.926 8.375 1.00 0.00 C ATOM 642 O VAL A 52 -16.638 -13.745 8.535 1.00 0.00 O ATOM 643 CB VAL A 52 -17.912 -16.082 6.817 1.00 0.00 C ATOM 644 CG1 VAL A 52 -18.751 -17.349 6.631 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.778 -14.861 6.481 1.00 0.00 C ATOM 0 H VAL A 52 -18.991 -14.834 8.986 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.973 -16.968 8.532 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.049 -16.104 6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -19.110 -17.400 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -18.139 -18.225 6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -19.602 -17.325 7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -19.130 -14.936 5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.634 -14.825 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.187 -13.953 6.597 1.00 0.00 H new ATOM 655 N LYS A 53 -15.095 -15.384 8.537 1.00 0.00 N ATOM 656 CA LYS A 53 -13.958 -14.481 8.632 1.00 0.00 C ATOM 657 C LYS A 53 -13.560 -14.017 7.236 1.00 0.00 C ATOM 658 O LYS A 53 -13.383 -14.835 6.333 1.00 0.00 O ATOM 659 CB LYS A 53 -12.782 -15.201 9.296 1.00 0.00 C ATOM 660 CG LYS A 53 -13.115 -15.508 10.762 1.00 0.00 C ATOM 661 CD LYS A 53 -11.944 -16.243 11.422 1.00 0.00 C ATOM 662 CE LYS A 53 -12.277 -16.535 12.887 1.00 0.00 C ATOM 663 NZ LYS A 53 -11.135 -17.259 13.512 1.00 0.00 N ATOM 0 H LYS A 53 -14.856 -16.373 8.605 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.231 -13.615 9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.563 -16.126 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.887 -14.581 9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.322 -14.582 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.017 -16.118 10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.742 -17.174 10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.040 -15.637 11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.470 -15.605 13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.184 -17.135 12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.355 -17.461 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.972 -18.153 13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.280 -16.670 13.459 1.00 0.00 H new ATOM 677 N ILE A 54 -13.175 -12.749 7.151 1.00 0.00 N ATOM 678 CA ILE A 54 -12.664 -12.186 5.907 1.00 0.00 C ATOM 679 C ILE A 54 -11.465 -11.288 6.208 1.00 0.00 C ATOM 680 O ILE A 54 -11.609 -10.305 6.934 1.00 0.00 O ATOM 681 CB ILE A 54 -13.788 -11.377 5.245 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.756 -12.340 4.540 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.194 -10.386 4.243 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.913 -11.585 3.877 1.00 0.00 C ATOM 0 H ILE A 54 -13.207 -12.091 7.930 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.340 -12.979 5.233 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.333 -10.815 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.216 -12.915 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.152 -13.054 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.997 -9.815 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.518 -9.706 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -12.643 -10.930 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.579 -12.296 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -16.468 -11.031 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.517 -10.890 3.137 1.00 0.00 H new ATOM 696 N PRO A 55 -10.239 -11.747 5.903 1.00 0.00 N ATOM 697 CA PRO A 55 -9.013 -10.922 6.112 1.00 0.00 C ATOM 698 C PRO A 55 -9.062 -9.561 5.422 1.00 0.00 C ATOM 699 O PRO A 55 -8.636 -8.564 6.003 1.00 0.00 O ATOM 700 CB PRO A 55 -7.896 -11.785 5.516 1.00 0.00 C ATOM 701 CG PRO A 55 -8.412 -13.183 5.565 1.00 0.00 C ATOM 702 CD PRO A 55 -9.918 -13.071 5.340 1.00 0.00 C ATOM 0 HA PRO A 55 -8.879 -10.681 7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.670 -11.485 4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.974 -11.686 6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.946 -13.800 4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.192 -13.649 6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.174 -13.133 4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.462 -13.868 5.847 1.00 0.00 H new ATOM 710 N ARG A 56 -9.549 -9.534 4.180 1.00 0.00 N ATOM 711 CA ARG A 56 -9.566 -8.287 3.417 1.00 0.00 C ATOM 712 C ARG A 56 -10.851 -8.056 2.616 1.00 0.00 C ATOM 713 O ARG A 56 -11.137 -6.907 2.281 1.00 0.00 O ATOM 714 CB ARG A 56 -8.319 -8.171 2.527 1.00 0.00 C ATOM 715 CG ARG A 56 -7.082 -8.016 3.423 1.00 0.00 C ATOM 716 CD ARG A 56 -5.798 -7.898 2.593 1.00 0.00 C ATOM 717 NE ARG A 56 -5.499 -9.156 1.912 1.00 0.00 N ATOM 718 CZ ARG A 56 -4.433 -9.294 1.120 1.00 0.00 C ATOM 719 NH1 ARG A 56 -3.532 -8.349 1.042 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.278 -10.379 0.408 1.00 0.00 N ATOM 0 H ARG A 56 -9.929 -10.344 3.690 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.546 -7.487 4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.221 -9.056 1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.411 -7.314 1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.194 -7.131 4.050 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.006 -8.873 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.907 -7.100 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.965 -7.624 3.241 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.123 -9.952 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.640 -7.495 1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.722 -8.466 0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.973 -11.124 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.462 -10.481 -0.196 1.00 0.00 H new ATOM 734 N LYS A 57 -11.593 -9.103 2.243 1.00 0.00 N ATOM 735 CA LYS A 57 -12.537 -8.957 1.132 1.00 0.00 C ATOM 736 C LYS A 57 -13.629 -7.927 1.424 1.00 0.00 C ATOM 737 O LYS A 57 -14.168 -7.354 0.480 1.00 0.00 O ATOM 738 CB LYS A 57 -13.269 -10.270 0.819 1.00 0.00 C ATOM 739 CG LYS A 57 -12.374 -11.349 0.205 1.00 0.00 C ATOM 740 CD LYS A 57 -13.251 -12.590 -0.025 1.00 0.00 C ATOM 741 CE LYS A 57 -12.458 -13.731 -0.669 1.00 0.00 C ATOM 742 NZ LYS A 57 -13.362 -14.901 -0.855 1.00 0.00 N ATOM 0 H LYS A 57 -11.563 -10.027 2.674 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.920 -8.640 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.709 -10.657 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.091 -10.062 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.943 -11.003 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.543 -11.583 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.664 -12.925 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.094 -12.327 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.051 -13.413 -1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.612 -14.005 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.008 -15.705 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.320 -14.653 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.389 -15.162 -1.861 1.00 0.00 H new ATOM 756 N TRP A 58 -14.191 -7.960 2.632 1.00 0.00 N ATOM 757 CA TRP A 58 -15.219 -6.980 2.969 1.00 0.00 C ATOM 758 C TRP A 58 -14.702 -5.908 3.922 1.00 0.00 C ATOM 759 O TRP A 58 -14.856 -4.729 3.622 1.00 0.00 O ATOM 760 CB TRP A 58 -16.426 -7.685 3.601 1.00 0.00 C ATOM 761 CG TRP A 58 -17.496 -7.875 2.572 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.826 -9.052 1.995 1.00 0.00 C ATOM 763 CD2 TRP A 58 -18.146 -6.844 1.771 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.869 -8.824 1.119 1.00 0.00 N ATOM 765 CE2 TRP A 58 -19.011 -7.477 0.843 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.878 -5.476 1.593 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.634 -6.757 -0.183 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.542 -4.744 0.604 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.312 -5.408 -0.360 1.00 0.00 C ATOM 0 H TRP A 58 -13.963 -8.628 3.368 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.514 -6.488 2.042 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -16.124 -8.650 4.007 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.809 -7.095 4.433 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.356 -10.005 2.186 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.460 -9.557 0.726 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -17.153 -4.986 2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.354 -7.237 -0.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -18.461 -3.667 0.583 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.656 -4.880 -1.237 1.00 0.00 H new ATOM 780 N LYS A 59 -13.780 -6.298 4.796 1.00 0.00 N ATOM 781 CA LYS A 59 -13.258 -5.371 5.795 1.00 0.00 C ATOM 782 C LYS A 59 -12.498 -4.215 5.152 1.00 0.00 C ATOM 783 O LYS A 59 -12.465 -3.119 5.709 1.00 0.00 O ATOM 784 CB LYS A 59 -12.389 -6.115 6.812 1.00 0.00 C ATOM 785 CG LYS A 59 -13.280 -7.036 7.655 1.00 0.00 C ATOM 786 CD LYS A 59 -12.433 -7.803 8.672 1.00 0.00 C ATOM 787 CE LYS A 59 -13.339 -8.707 9.509 1.00 0.00 C ATOM 788 NZ LYS A 59 -12.513 -9.465 10.489 1.00 0.00 N ATOM 0 H LYS A 59 -13.383 -7.237 4.834 1.00 0.00 H new ATOM 0 HA LYS A 59 -14.106 -4.936 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.625 -6.698 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.869 -5.404 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.038 -6.448 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.807 -7.737 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.680 -8.400 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.900 -7.105 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.085 -8.109 10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.880 -9.397 8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.128 -10.080 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.817 -10.047 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.016 -8.798 11.113 1.00 0.00 H new ATOM 802 N ARG A 60 -11.689 -4.540 4.147 1.00 0.00 N ATOM 803 CA ARG A 60 -10.794 -3.559 3.535 1.00 0.00 C ATOM 804 C ARG A 60 -11.368 -2.977 2.246 1.00 0.00 C ATOM 805 O ARG A 60 -10.754 -2.102 1.639 1.00 0.00 O ATOM 806 CB ARG A 60 -9.425 -4.200 3.276 1.00 0.00 C ATOM 807 CG ARG A 60 -8.775 -4.615 4.601 1.00 0.00 C ATOM 808 CD ARG A 60 -8.387 -3.377 5.417 1.00 0.00 C ATOM 809 NE ARG A 60 -7.888 -3.775 6.730 1.00 0.00 N ATOM 810 CZ ARG A 60 -6.605 -4.072 6.940 1.00 0.00 C ATOM 811 NH1 ARG A 60 -5.790 -4.212 5.930 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.195 -4.339 8.150 1.00 0.00 N ATOM 0 H ARG A 60 -11.634 -5.473 3.739 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.682 -2.729 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.539 -5.071 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.779 -3.496 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.465 -5.234 5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.891 -5.221 4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.623 -2.808 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.251 -2.722 5.531 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.541 -3.828 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.134 -4.094 4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.809 -4.439 6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.855 -4.320 8.928 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.215 -4.567 8.318 1.00 0.00 H new ATOM 826 N ARG A 61 -12.563 -3.420 1.862 1.00 0.00 N ATOM 827 CA ARG A 61 -13.153 -3.017 0.586 1.00 0.00 C ATOM 828 C ARG A 61 -14.406 -2.153 0.746 1.00 0.00 C ATOM 829 O ARG A 61 -15.254 -2.172 -0.143 1.00 0.00 O ATOM 830 CB ARG A 61 -13.416 -4.220 -0.331 1.00 0.00 C ATOM 831 CG ARG A 61 -12.078 -4.794 -0.814 1.00 0.00 C ATOM 832 CD ARG A 61 -12.306 -6.004 -1.730 1.00 0.00 C ATOM 833 NE ARG A 61 -11.020 -6.533 -2.182 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.922 -7.386 -3.201 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.987 -7.725 -3.872 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.768 -7.918 -3.509 1.00 0.00 N ATOM 0 H ARG A 61 -13.140 -4.055 2.413 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.406 -2.387 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.980 -4.984 0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.023 -3.916 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.519 -4.026 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.473 -5.089 0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.860 -6.776 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.912 -5.713 -2.588 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.170 -6.239 -1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.895 -7.337 -3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.912 -8.378 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.936 -7.681 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.699 -8.570 -4.290 1.00 0.00 H new ATOM 850 N TYR A 62 -14.644 -1.584 1.933 1.00 0.00 N ATOM 851 CA TYR A 62 -15.875 -0.818 2.139 1.00 0.00 C ATOM 852 C TYR A 62 -15.743 0.418 3.023 1.00 0.00 C ATOM 853 O TYR A 62 -14.638 0.764 3.436 1.00 0.00 O ATOM 854 CB TYR A 62 -17.007 -1.703 2.667 1.00 0.00 C ATOM 855 CG TYR A 62 -16.657 -2.507 3.905 1.00 0.00 C ATOM 856 CD1 TYR A 62 -15.763 -2.019 4.875 1.00 0.00 C ATOM 857 CD2 TYR A 62 -17.523 -3.549 4.255 1.00 0.00 C ATOM 858 CE1 TYR A 62 -15.636 -2.687 6.104 1.00 0.00 C ATOM 859 CE2 TYR A 62 -17.283 -4.315 5.396 1.00 0.00 C ATOM 860 CZ TYR A 62 -16.379 -3.849 6.356 1.00 0.00 C ATOM 861 OH TYR A 62 -16.115 -4.612 7.476 1.00 0.00 O ATOM 0 H TYR A 62 -14.023 -1.636 2.740 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.114 -0.448 1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.868 -1.073 2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.311 -2.390 1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.177 -1.134 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -18.383 -3.762 3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -14.964 -2.304 6.858 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.790 -5.258 5.537 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.722 -5.381 7.498 1.00 0.00 H new ATOM 871 N CYS A 63 -16.748 1.285 2.866 1.00 0.00 N ATOM 872 CA CYS A 63 -16.862 2.507 3.657 1.00 0.00 C ATOM 873 C CYS A 63 -17.196 2.206 5.110 1.00 0.00 C ATOM 874 O CYS A 63 -18.058 1.375 5.394 1.00 0.00 O ATOM 875 CB CYS A 63 -17.975 3.404 3.102 1.00 0.00 C ATOM 876 SG CYS A 63 -17.584 5.142 3.439 1.00 0.00 S ATOM 0 H CYS A 63 -17.501 1.158 2.189 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.896 3.008 3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -18.081 3.247 2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.929 3.141 3.558 1.00 0.00 H new ATOM 0 HG CYS A 63 -17.966 5.875 2.436 1.00 0.00 H new ATOM 881 N LYS A 64 -16.610 2.989 6.012 1.00 0.00 N ATOM 882 CA LYS A 64 -16.809 2.748 7.434 1.00 0.00 C ATOM 883 C LYS A 64 -18.274 2.942 7.834 1.00 0.00 C ATOM 884 O LYS A 64 -18.784 2.209 8.683 1.00 0.00 O ATOM 885 CB LYS A 64 -15.966 3.765 8.215 1.00 0.00 C ATOM 886 CG LYS A 64 -14.462 3.593 7.962 1.00 0.00 C ATOM 887 CD LYS A 64 -13.959 2.244 8.481 1.00 0.00 C ATOM 888 CE LYS A 64 -12.455 2.137 8.206 1.00 0.00 C ATOM 889 NZ LYS A 64 -11.930 0.845 8.726 1.00 0.00 N ATOM 0 H LYS A 64 -16.006 3.780 5.788 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.518 1.721 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.266 4.774 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.167 3.658 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.260 3.672 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.915 4.399 8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.154 2.154 9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.491 1.429 7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.267 2.210 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.931 2.968 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.910 0.783 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.094 0.791 9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.419 0.057 8.256 1.00 0.00 H new ATOM 903 N LYS A 65 -18.914 3.987 7.299 1.00 0.00 N ATOM 904 CA LYS A 65 -20.341 4.209 7.535 1.00 0.00 C ATOM 905 C LYS A 65 -21.235 3.433 6.575 1.00 0.00 C ATOM 906 O LYS A 65 -22.291 2.929 6.960 1.00 0.00 O ATOM 907 CB LYS A 65 -20.643 5.705 7.440 1.00 0.00 C ATOM 908 CG LYS A 65 -22.102 5.932 7.837 1.00 0.00 C ATOM 909 CD LYS A 65 -22.414 7.430 7.821 1.00 0.00 C ATOM 910 CE LYS A 65 -23.873 7.656 8.227 1.00 0.00 C ATOM 911 NZ LYS A 65 -24.173 9.116 8.221 1.00 0.00 N ATOM 0 H LYS A 65 -18.469 4.686 6.704 1.00 0.00 H new ATOM 0 HA LYS A 65 -20.565 3.837 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.980 6.268 8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -20.466 6.063 6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -22.763 5.406 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -22.287 5.523 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.750 7.957 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -22.236 7.838 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -24.538 7.135 7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.054 7.241 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -25.164 9.268 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.548 9.602 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -24.017 9.499 7.267 1.00 0.00 H new ATOM 925 N CYS A 66 -20.936 3.588 5.289 1.00 0.00 N ATOM 926 CA CYS A 66 -21.844 3.158 4.228 1.00 0.00 C ATOM 927 C CYS A 66 -21.843 1.647 4.116 1.00 0.00 C ATOM 928 O CYS A 66 -22.696 1.089 3.434 1.00 0.00 O ATOM 929 CB CYS A 66 -21.448 3.813 2.902 1.00 0.00 C ATOM 930 SG CYS A 66 -21.372 5.596 3.198 1.00 0.00 S ATOM 0 H CYS A 66 -20.069 4.009 4.954 1.00 0.00 H new ATOM 0 HA CYS A 66 -22.858 3.475 4.474 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -20.484 3.437 2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -22.176 3.581 2.124 1.00 0.00 H new ATOM 0 HG CYS A 66 -20.129 5.974 3.256 1.00 0.00 H new ATOM 935 N HIS A 67 -20.670 1.101 4.414 1.00 0.00 N ATOM 936 CA HIS A 67 -20.379 -0.308 4.204 1.00 0.00 C ATOM 937 C HIS A 67 -20.346 -0.605 2.703 1.00 0.00 C ATOM 938 O HIS A 67 -19.789 -1.618 2.304 1.00 0.00 O ATOM 939 CB HIS A 67 -21.466 -1.132 4.907 1.00 0.00 C ATOM 940 CG HIS A 67 -21.491 -0.788 6.378 1.00 0.00 C ATOM 941 ND1 HIS A 67 -22.419 0.117 6.874 1.00 0.00 N ATOM 942 CD2 HIS A 67 -20.500 -0.824 7.336 1.00 0.00 C ATOM 943 CE1 HIS A 67 -22.142 0.307 8.174 1.00 0.00 C ATOM 944 NE2 HIS A 67 -20.922 -0.143 8.479 1.00 0.00 N ATOM 0 H HIS A 67 -19.891 1.628 4.810 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.406 -0.569 4.619 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.438 -0.928 4.459 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -21.272 -2.196 4.775 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -23.173 0.557 6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -19.541 -1.307 7.219 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -22.818 0.764 8.881 1.00 0.00 H new ATOM 953 N ALA A 68 -20.502 0.450 1.905 1.00 0.00 N ATOM 954 CA ALA A 68 -20.501 0.345 0.449 1.00 0.00 C ATOM 955 C ALA A 68 -19.107 0.058 -0.103 1.00 0.00 C ATOM 956 O ALA A 68 -18.112 0.556 0.422 1.00 0.00 O ATOM 957 CB ALA A 68 -21.054 1.627 -0.174 1.00 0.00 C ATOM 0 H ALA A 68 -20.633 1.401 2.251 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.142 -0.496 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -21.048 1.536 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -22.075 1.788 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.434 2.473 0.123 1.00 0.00 H new ATOM 963 N PHE A 69 -19.067 -0.656 -1.228 1.00 0.00 N ATOM 964 CA PHE A 69 -17.824 -1.238 -1.725 1.00 0.00 C ATOM 965 C PHE A 69 -16.904 -0.111 -2.192 1.00 0.00 C ATOM 966 O PHE A 69 -17.398 0.905 -2.677 1.00 0.00 O ATOM 967 CB PHE A 69 -18.131 -2.160 -2.912 1.00 0.00 C ATOM 968 CG PHE A 69 -16.916 -3.003 -3.229 1.00 0.00 C ATOM 969 CD1 PHE A 69 -16.632 -4.075 -2.369 1.00 0.00 C ATOM 970 CD2 PHE A 69 -16.365 -2.995 -4.518 1.00 0.00 C ATOM 971 CE1 PHE A 69 -15.824 -5.125 -2.807 1.00 0.00 C ATOM 972 CE2 PHE A 69 -15.437 -3.976 -4.890 1.00 0.00 C ATOM 973 CZ PHE A 69 -15.115 -5.002 -3.998 1.00 0.00 C ATOM 0 H PHE A 69 -19.882 -0.844 -1.811 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.342 -1.812 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.980 -2.802 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.412 -1.567 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -17.039 -4.087 -1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -16.656 -2.232 -5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -15.749 -6.031 -2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -14.972 -3.939 -5.864 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.321 -5.695 -4.231 1.00 0.00 H new ATOM 983 N LEU A 70 -15.655 -0.115 -1.733 1.00 0.00 N ATOM 984 CA LEU A 70 -14.866 1.115 -1.781 1.00 0.00 C ATOM 985 C LEU A 70 -13.898 1.019 -2.958 1.00 0.00 C ATOM 986 O LEU A 70 -12.793 0.486 -2.836 1.00 0.00 O ATOM 987 CB LEU A 70 -14.094 1.277 -0.462 1.00 0.00 C ATOM 988 CG LEU A 70 -13.820 2.750 -0.120 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.362 3.566 -1.336 1.00 0.00 C ATOM 990 CD2 LEU A 70 -15.100 3.357 0.464 1.00 0.00 C ATOM 0 H LEU A 70 -15.179 -0.925 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.514 1.982 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.663 0.819 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.148 0.741 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.005 2.785 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.183 4.598 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.441 3.140 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.136 3.541 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.925 4.404 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.903 3.288 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.383 2.812 1.364 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.322 1.558 -4.098 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.462 1.692 -5.270 1.00 0.00 C ATOM 1004 C VAL A 71 -13.641 3.085 -5.876 1.00 0.00 C ATOM 1005 O VAL A 71 -14.768 3.580 -5.945 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.804 0.619 -6.315 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -12.604 0.397 -7.242 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -14.157 -0.705 -5.626 1.00 0.00 C ATOM 0 H VAL A 71 -15.268 1.913 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.424 1.557 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.661 0.961 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.851 -0.365 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.359 1.330 -7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.747 0.068 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.397 -1.455 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.307 -1.045 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.018 -0.558 -4.974 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.552 3.791 -6.211 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.672 5.161 -6.779 1.00 0.00 C ATOM 1020 C PRO A 72 -13.416 5.186 -8.109 1.00 0.00 C ATOM 1021 O PRO A 72 -13.140 4.377 -8.991 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.234 5.648 -6.947 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.384 4.763 -6.099 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.165 3.476 -5.830 1.00 0.00 C ATOM 0 HA PRO A 72 -13.257 5.803 -6.120 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.927 5.596 -7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.139 6.689 -6.638 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.444 4.540 -6.603 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.133 5.260 -5.162 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.773 2.645 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.099 3.185 -4.782 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.174 6.263 -8.302 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.896 6.525 -9.542 1.00 0.00 C ATOM 1034 C GLY A 73 -16.343 6.049 -9.441 1.00 0.00 C ATOM 1035 O GLY A 73 -17.099 6.218 -10.396 1.00 0.00 O ATOM 0 H GLY A 73 -14.305 6.985 -7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.875 7.592 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.400 6.019 -10.370 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.603 5.175 -8.465 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.749 4.272 -8.549 1.00 0.00 C ATOM 1041 C ILE A 74 -18.871 4.687 -7.591 1.00 0.00 C ATOM 1042 O ILE A 74 -19.800 5.379 -8.002 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.300 2.849 -8.211 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.115 2.413 -9.085 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -18.483 1.906 -8.442 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.456 2.416 -10.579 1.00 0.00 C ATOM 0 H ILE A 74 -16.042 5.075 -7.619 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.138 4.319 -9.566 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.974 2.816 -7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.271 3.080 -8.907 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.798 1.413 -8.790 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.185 0.884 -8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.313 2.199 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.795 1.962 -9.485 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.584 2.100 -11.152 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.281 1.729 -10.765 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.746 3.422 -10.884 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.678 4.442 -6.289 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.577 4.969 -5.263 1.00 0.00 C ATOM 1060 C ASN A 75 -18.877 6.095 -4.510 1.00 0.00 C ATOM 1061 O ASN A 75 -19.363 6.590 -3.489 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.948 3.848 -4.282 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.789 3.485 -3.352 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.557 3.608 -3.765 1.00 0.00 O flip ATOM 1065 ND2 ASN A 75 -19.011 3.260 -2.161 1.00 0.00 N flip ATOM 0 H ASN A 75 -17.907 3.882 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.483 5.352 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.806 4.159 -3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.252 2.964 -4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -19.971 3.163 -1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -18.235 3.171 -1.505 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.671 6.381 -4.987 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.709 7.227 -4.296 1.00 0.00 C ATOM 1074 C ALA A 76 -15.692 7.695 -5.324 1.00 0.00 C ATOM 1075 O ALA A 76 -15.262 6.891 -6.139 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.013 6.485 -3.148 1.00 0.00 C ATOM 0 H ALA A 76 -17.330 6.025 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.226 8.074 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.304 7.153 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.758 6.155 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.482 5.619 -3.543 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.104 8.860 -5.101 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.143 9.390 -6.061 1.00 0.00 C ATOM 1084 C ARG A 77 -12.866 9.804 -5.343 1.00 0.00 C ATOM 1085 O ARG A 77 -12.905 10.196 -4.181 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.751 10.552 -6.852 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.748 11.026 -7.911 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.338 12.173 -8.735 1.00 0.00 C ATOM 1089 NE ARG A 77 -13.432 12.472 -9.842 1.00 0.00 N ATOM 1090 CZ ARG A 77 -13.661 13.447 -10.717 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -14.875 13.898 -10.862 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -12.786 13.669 -11.663 1.00 0.00 N ATOM 0 H ARG A 77 -15.269 9.447 -4.283 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.889 8.610 -6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.679 10.236 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.002 11.372 -6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.828 11.354 -7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.485 10.197 -8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.321 11.897 -9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.474 13.056 -8.110 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.588 11.909 -9.948 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.635 13.503 -10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.065 14.646 -11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.943 13.098 -11.722 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.947 14.413 -12.342 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.728 9.599 -6.002 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.455 10.034 -5.442 1.00 0.00 C ATOM 1108 C VAL A 78 -9.747 10.961 -6.424 1.00 0.00 C ATOM 1109 O VAL A 78 -9.869 10.790 -7.634 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.594 8.802 -5.118 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.032 8.180 -6.401 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.434 9.176 -4.185 1.00 0.00 C ATOM 0 H VAL A 78 -11.662 9.141 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.625 10.589 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.234 8.075 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.426 7.310 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.854 7.874 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.415 8.913 -6.921 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.839 8.288 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.806 9.925 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.832 9.580 -3.254 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.289 12.096 -5.906 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.340 12.919 -6.643 1.00 0.00 C ATOM 1124 C ARG A 79 -6.945 12.694 -6.073 1.00 0.00 C ATOM 1125 O ARG A 79 -6.803 12.416 -4.883 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.681 14.410 -6.544 1.00 0.00 C ATOM 1127 CG ARG A 79 -9.994 14.720 -7.265 1.00 0.00 C ATOM 1128 CD ARG A 79 -10.271 16.217 -7.118 1.00 0.00 C ATOM 1129 NE ARG A 79 -11.505 16.603 -7.802 1.00 0.00 N ATOM 1130 CZ ARG A 79 -12.692 16.579 -7.193 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -12.736 16.885 -5.926 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -13.767 16.783 -7.907 1.00 0.00 N ATOM 0 H ARG A 79 -9.555 12.462 -4.992 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.386 12.630 -7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.760 14.700 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.875 15.001 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.924 14.447 -8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.810 14.138 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.344 16.473 -6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.435 16.785 -7.526 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.457 16.900 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.879 17.133 -5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.627 16.877 -5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.688 16.956 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.685 16.769 -7.462 1.00 0.00 H new ATOM 1146 N LEU A 80 -5.966 12.580 -6.965 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.580 12.460 -6.535 1.00 0.00 C ATOM 1148 C LEU A 80 -3.863 13.765 -6.867 1.00 0.00 C ATOM 1149 O LEU A 80 -3.770 14.139 -8.033 1.00 0.00 O ATOM 1150 CB LEU A 80 -3.937 11.282 -7.282 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.827 10.040 -7.139 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -5.952 10.078 -8.180 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -3.993 8.771 -7.340 1.00 0.00 C ATOM 0 H LEU A 80 -6.104 12.568 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.512 12.277 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.809 11.532 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.945 11.080 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.260 10.034 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.579 9.193 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.557 10.972 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.521 10.096 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.633 7.895 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.549 8.781 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.202 8.733 -6.591 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.284 14.404 -5.852 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.593 15.679 -6.042 1.00 0.00 C ATOM 1167 C ARG A 81 -1.086 15.492 -5.926 1.00 0.00 C ATOM 1168 O ARG A 81 -0.605 14.960 -4.926 1.00 0.00 O ATOM 1169 CB ARG A 81 -3.067 16.736 -5.038 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.516 17.140 -5.336 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.976 18.181 -4.311 1.00 0.00 C ATOM 1172 NE ARG A 81 -6.343 18.616 -4.592 1.00 0.00 N ATOM 1173 CZ ARG A 81 -7.418 18.000 -4.098 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -7.270 17.005 -3.267 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -8.575 18.604 -4.151 1.00 0.00 N ATOM 0 H ARG A 81 -3.279 14.061 -4.891 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.835 16.034 -7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.993 16.343 -4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.420 17.612 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.591 17.548 -6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.164 16.265 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.923 17.758 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.305 19.040 -4.331 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.481 19.428 -5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.335 16.701 -2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.090 16.532 -2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.647 19.533 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.407 18.147 -3.778 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.354 16.176 -6.799 1.00 0.00 N ATOM 1190 CA GLN A 82 1.096 16.058 -6.814 1.00 0.00 C ATOM 1191 C GLN A 82 1.732 17.328 -6.256 1.00 0.00 C ATOM 1192 O GLN A 82 1.941 18.313 -6.962 1.00 0.00 O ATOM 1193 CB GLN A 82 1.563 15.767 -8.243 1.00 0.00 C ATOM 1194 CG GLN A 82 1.095 14.363 -8.640 1.00 0.00 C ATOM 1195 CD GLN A 82 1.471 14.066 -10.090 1.00 0.00 C ATOM 1196 OE1 GLN A 82 0.998 14.741 -10.999 1.00 0.00 O ATOM 1197 NE2 GLN A 82 2.251 13.054 -10.360 1.00 0.00 N ATOM 0 H GLN A 82 -0.738 16.812 -7.498 1.00 0.00 H new ATOM 0 HA GLN A 82 1.410 15.231 -6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.157 16.509 -8.931 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.649 15.835 -8.306 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.548 13.622 -7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.015 14.284 -8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.642 12.495 -9.602 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.469 12.822 -11.329 1.00 0.00 H new ATOM 1206 N LYS A 83 2.335 17.102 -5.099 1.00 0.00 N ATOM 1207 CA LYS A 83 3.196 18.036 -4.379 1.00 0.00 C ATOM 1208 C LYS A 83 4.401 17.187 -3.980 1.00 0.00 C ATOM 1209 O LYS A 83 4.321 15.973 -4.176 1.00 0.00 O ATOM 1210 CB LYS A 83 2.441 18.540 -3.146 1.00 0.00 C ATOM 1211 CG LYS A 83 1.241 19.376 -3.602 1.00 0.00 C ATOM 1212 CD LYS A 83 0.450 19.866 -2.386 1.00 0.00 C ATOM 1213 CE LYS A 83 -0.752 20.692 -2.853 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.528 21.152 -1.668 1.00 0.00 N ATOM 0 H LYS A 83 2.233 16.214 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 83 3.492 18.911 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.105 17.698 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.101 19.140 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.583 20.227 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.597 18.780 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.112 19.016 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.090 20.469 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.414 21.549 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.386 20.093 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.345 21.713 -1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.862 20.327 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.920 21.738 -1.061 1.00 0.00 H new ATOM 1228 N ARG A 84 5.520 17.721 -3.484 1.00 0.00 N ATOM 1229 CA ARG A 84 6.433 16.730 -2.914 1.00 0.00 C ATOM 1230 C ARG A 84 5.938 16.461 -1.491 1.00 0.00 C ATOM 1231 O ARG A 84 6.740 16.184 -0.597 1.00 0.00 O ATOM 1232 CB ARG A 84 7.820 17.370 -2.782 1.00 0.00 C ATOM 1233 CG ARG A 84 8.339 17.893 -4.128 1.00 0.00 C ATOM 1234 CD ARG A 84 9.738 18.488 -3.919 1.00 0.00 C ATOM 1235 NE ARG A 84 9.675 19.648 -3.029 1.00 0.00 N ATOM 1236 CZ ARG A 84 9.201 20.835 -3.410 1.00 0.00 C ATOM 1237 NH1 ARG A 84 8.887 21.065 -4.657 1.00 0.00 N ATOM 1238 NH2 ARG A 84 9.182 21.829 -2.560 1.00 0.00 N ATOM 0 H ARG A 84 5.795 18.703 -3.461 1.00 0.00 H new ATOM 0 HA ARG A 84 6.475 15.830 -3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.774 18.191 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.521 16.638 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.378 17.084 -4.858 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.662 18.649 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.401 17.733 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.162 18.782 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 84 10.010 19.544 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.003 20.331 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.526 21.978 -4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.529 21.695 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.820 22.739 -2.847 1.00 0.00 H new ATOM 1252 N MET A 85 4.681 16.026 -1.460 1.00 0.00 N ATOM 1253 CA MET A 85 4.101 15.042 -0.562 1.00 0.00 C ATOM 1254 C MET A 85 3.022 14.348 -1.392 1.00 0.00 C ATOM 1255 O MET A 85 2.177 15.063 -1.925 1.00 0.00 O ATOM 1256 CB MET A 85 3.450 15.819 0.589 1.00 0.00 C ATOM 1257 CG MET A 85 3.963 15.372 1.957 1.00 0.00 C ATOM 1258 SD MET A 85 3.071 16.301 3.231 1.00 0.00 S ATOM 1259 CE MET A 85 4.454 16.592 4.361 1.00 0.00 C ATOM 0 H MET A 85 3.989 16.385 -2.118 1.00 0.00 H new ATOM 0 HA MET A 85 4.818 14.327 -0.159 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.645 16.884 0.461 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.369 15.686 0.548 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.808 14.301 2.089 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.035 15.551 2.037 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.105 17.159 5.224 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.859 15.636 4.694 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.232 17.156 3.846 1.00 0.00 H new ATOM 1269 N PRO A 86 2.963 13.022 -1.570 1.00 0.00 N ATOM 1270 CA PRO A 86 1.733 12.454 -2.195 1.00 0.00 C ATOM 1271 C PRO A 86 0.503 12.727 -1.330 1.00 0.00 C ATOM 1272 O PRO A 86 0.474 12.298 -0.180 1.00 0.00 O ATOM 1273 CB PRO A 86 2.042 10.960 -2.330 1.00 0.00 C ATOM 1274 CG PRO A 86 3.529 10.824 -2.240 1.00 0.00 C ATOM 1275 CD PRO A 86 4.065 12.048 -1.494 1.00 0.00 C ATOM 0 HA PRO A 86 1.495 12.902 -3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.552 10.390 -1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.674 10.572 -3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.798 9.908 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.968 10.761 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.315 11.808 -0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.972 12.434 -1.960 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.605 13.050 -1.993 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.873 13.289 -1.305 1.00 0.00 C ATOM 1285 C HIS A 87 -3.029 12.807 -2.177 1.00 0.00 C ATOM 1286 O HIS A 87 -3.130 13.210 -3.337 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.015 14.787 -1.001 1.00 0.00 C ATOM 1288 CG HIS A 87 -0.933 15.223 -0.049 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -0.436 16.515 -0.072 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -0.479 14.676 1.129 1.00 0.00 C ATOM 1291 CE1 HIS A 87 0.172 16.734 1.105 1.00 0.00 C ATOM 1292 NE2 HIS A 87 0.275 15.615 1.826 1.00 0.00 N ATOM 0 H HIS A 87 -0.651 13.153 -3.007 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.892 12.736 -0.366 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.951 15.362 -1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.995 14.987 -0.568 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.678 13.668 1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.534 17.699 1.429 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.792 15.479 2.695 1.00 0.00 H new ATOM 1301 N ILE A 88 -3.991 12.114 -1.570 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.236 11.782 -2.259 1.00 0.00 C ATOM 1303 C ILE A 88 -6.438 12.147 -1.385 1.00 0.00 C ATOM 1304 O ILE A 88 -6.361 12.049 -0.164 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.269 10.299 -2.666 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.238 9.392 -1.433 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.037 9.979 -3.526 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.456 7.935 -1.858 1.00 0.00 C ATOM 0 H ILE A 88 -3.933 11.774 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.289 12.369 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.189 10.121 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.282 9.492 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.012 9.695 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.058 8.928 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.046 10.602 -4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.131 10.179 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.433 7.292 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.423 7.841 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.666 7.635 -2.547 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.533 12.587 -2.003 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.762 12.876 -1.261 1.00 0.00 C ATOM 1322 C VAL A 89 -9.885 11.939 -1.703 1.00 0.00 C ATOM 1323 O VAL A 89 -10.095 11.726 -2.887 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.205 14.336 -1.455 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.212 15.273 -0.761 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.274 14.689 -2.946 1.00 0.00 C ATOM 0 H VAL A 89 -7.596 12.751 -3.008 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.551 12.717 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.196 14.455 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.529 16.307 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.179 15.044 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.220 15.136 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.589 15.726 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.291 14.557 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.991 14.035 -3.442 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.566 11.342 -0.728 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.574 10.322 -1.002 1.00 0.00 C ATOM 1338 C VAL A 90 -12.914 10.803 -0.465 1.00 0.00 C ATOM 1339 O VAL A 90 -13.042 11.101 0.719 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.189 9.001 -0.323 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.362 8.014 -0.359 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -9.983 8.381 -1.036 1.00 0.00 C ATOM 0 H VAL A 90 -10.437 11.548 0.263 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.640 10.154 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.934 9.210 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.069 7.083 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.216 8.444 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.636 7.812 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.715 7.443 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.236 8.189 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.139 9.069 -0.988 1.00 0.00 H new ATOM 1352 N LYS A 91 -13.934 10.714 -1.313 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.283 11.093 -0.919 1.00 0.00 C ATOM 1354 C LYS A 91 -16.253 10.035 -1.429 1.00 0.00 C ATOM 1355 O LYS A 91 -16.251 9.723 -2.617 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.685 12.487 -1.444 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.170 12.816 -2.854 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.641 12.948 -2.941 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.238 13.318 -4.372 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.755 13.428 -4.457 1.00 0.00 N ATOM 0 H LYS A 91 -13.851 10.383 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.317 11.152 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.773 12.561 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.314 13.242 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.498 12.036 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.625 13.748 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.292 13.711 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.168 12.010 -2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.598 12.562 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.701 14.262 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.427 13.015 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.478 14.430 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.323 12.916 -3.661 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.038 9.443 -0.533 1.00 0.00 N ATOM 1375 CA CYS A 92 -17.892 8.329 -0.928 1.00 0.00 C ATOM 1376 C CYS A 92 -19.345 8.772 -0.815 1.00 0.00 C ATOM 1377 O CYS A 92 -19.830 9.085 0.274 1.00 0.00 O ATOM 1378 CB CYS A 92 -17.623 7.094 -0.056 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.116 6.081 0.138 1.00 0.00 S ATOM 0 H CYS A 92 -17.100 9.709 0.450 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.674 8.046 -1.958 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -16.831 6.495 -0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.266 7.410 0.924 1.00 0.00 H new ATOM 0 HG CYS A 92 -19.654 6.319 1.297 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.080 8.531 -1.892 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.340 9.221 -2.132 1.00 0.00 C ATOM 1386 C LEU A 93 -22.324 8.863 -1.024 1.00 0.00 C ATOM 1387 O LEU A 93 -23.060 9.720 -0.540 1.00 0.00 O ATOM 1388 CB LEU A 93 -21.860 8.898 -3.537 1.00 0.00 C ATOM 1389 CG LEU A 93 -20.935 9.572 -4.557 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.224 9.040 -5.964 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.165 11.089 -4.525 1.00 0.00 C ATOM 0 H LEU A 93 -19.824 7.860 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.199 10.301 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -21.880 7.820 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -22.882 9.257 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.899 9.350 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -20.561 9.526 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.057 7.963 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.260 9.252 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -20.509 11.572 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.204 11.305 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -20.946 11.469 -3.527 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.331 7.596 -0.618 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.401 7.096 0.241 1.00 0.00 C ATOM 1405 C GLU A 94 -23.323 7.796 1.594 1.00 0.00 C ATOM 1406 O GLU A 94 -24.352 8.055 2.208 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.314 5.583 0.485 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.431 4.873 -0.545 1.00 0.00 C ATOM 1409 CD GLU A 94 -22.851 5.245 -1.962 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -24.038 5.210 -2.240 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.011 5.788 -2.653 1.00 0.00 O ATOM 0 H GLU A 94 -21.621 6.907 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.341 7.302 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.919 5.402 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.316 5.155 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.388 5.145 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.503 3.794 -0.411 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.107 8.006 2.103 1.00 0.00 N ATOM 1419 CA CYS A 95 -21.957 8.800 3.320 1.00 0.00 C ATOM 1420 C CYS A 95 -22.130 10.269 2.954 1.00 0.00 C ATOM 1421 O CYS A 95 -22.881 10.967 3.621 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.605 8.645 4.030 1.00 0.00 C ATOM 1423 SG CYS A 95 -19.209 8.521 2.881 1.00 0.00 S ATOM 0 H CYS A 95 -21.238 7.649 1.705 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.714 8.436 4.015 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.449 9.497 4.691 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.631 7.755 4.658 1.00 0.00 H new ATOM 0 HG CYS A 95 -19.615 8.785 1.675 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.670 10.630 1.754 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.640 12.028 1.327 1.00 0.00 C ATOM 1430 C GLY A 96 -20.474 12.791 1.954 1.00 0.00 C ATOM 1431 O GLY A 96 -20.492 14.021 1.991 1.00 0.00 O ATOM 0 H GLY A 96 -21.313 9.972 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.562 12.074 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.578 12.511 1.600 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.475 12.062 2.446 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.387 12.661 3.220 1.00 0.00 C ATOM 1437 C HIS A 97 -17.032 12.446 2.553 1.00 0.00 C ATOM 1438 O HIS A 97 -16.851 11.489 1.804 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.353 12.116 4.649 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.515 12.656 5.434 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -20.780 12.099 5.377 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -19.650 13.804 6.178 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.509 12.716 6.323 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -20.913 13.827 6.768 1.00 0.00 N ATOM 0 H HIS A 97 -19.395 11.053 2.323 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.584 13.732 3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.390 11.027 4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.416 12.396 5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -18.895 14.569 6.288 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -22.463 12.357 6.681 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -21.296 14.532 7.397 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.140 13.415 2.761 1.00 0.00 N ATOM 1454 CA ILE A 98 -14.795 13.406 2.186 1.00 0.00 C ATOM 1455 C ILE A 98 -13.721 13.234 3.260 1.00 0.00 C ATOM 1456 O ILE A 98 -13.900 13.661 4.397 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.520 14.709 1.429 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.144 14.621 0.754 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.560 15.901 2.392 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.931 15.784 -0.225 1.00 0.00 C ATOM 0 H ILE A 98 -16.332 14.234 3.338 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.753 12.559 1.501 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.288 14.854 0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.362 14.633 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.057 13.674 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.363 16.821 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.544 15.960 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.801 15.771 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.948 15.695 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.700 15.755 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.994 16.729 0.314 1.00 0.00 H new ATOM 1472 N MET A 99 -12.803 12.318 2.975 1.00 0.00 N ATOM 1473 CA MET A 99 -11.610 12.120 3.790 1.00 0.00 C ATOM 1474 C MET A 99 -10.348 12.338 2.957 1.00 0.00 C ATOM 1475 O MET A 99 -10.307 12.027 1.769 1.00 0.00 O ATOM 1476 CB MET A 99 -11.623 10.694 4.350 1.00 0.00 C ATOM 1477 CG MET A 99 -12.790 10.558 5.333 1.00 0.00 C ATOM 1478 SD MET A 99 -12.804 8.892 6.037 1.00 0.00 S ATOM 1479 CE MET A 99 -13.425 8.024 4.573 1.00 0.00 C ATOM 0 H MET A 99 -12.865 11.691 2.172 1.00 0.00 H new ATOM 0 HA MET A 99 -11.609 12.842 4.607 1.00 0.00 H new ATOM 0 HB2 MET A 99 -11.726 9.972 3.540 1.00 0.00 H new ATOM 0 HB3 MET A 99 -10.680 10.477 4.852 1.00 0.00 H new ATOM 0 HG2 MET A 99 -12.697 11.298 6.128 1.00 0.00 H new ATOM 0 HG3 MET A 99 -13.733 10.755 4.823 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.860 7.071 4.873 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.186 8.633 4.085 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.603 7.846 3.880 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.297 12.818 3.614 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.001 13.008 2.967 1.00 0.00 C ATOM 1491 C ARG A 100 -7.016 11.975 3.501 1.00 0.00 C ATOM 1492 O ARG A 100 -6.718 11.969 4.696 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.495 14.422 3.269 1.00 0.00 C ATOM 1494 CG ARG A 100 -6.176 14.699 2.538 1.00 0.00 C ATOM 1495 CD ARG A 100 -5.687 16.107 2.890 1.00 0.00 C ATOM 1496 NE ARG A 100 -4.520 16.439 2.076 1.00 0.00 N ATOM 1497 CZ ARG A 100 -3.697 17.443 2.381 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -3.959 18.238 3.387 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -2.551 17.552 1.760 1.00 0.00 N ATOM 0 H ARG A 100 -9.317 13.084 4.599 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.099 12.883 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.244 15.153 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.352 14.540 4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.427 13.960 2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.318 14.610 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.482 16.833 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.432 16.160 3.948 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.328 15.882 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.799 18.093 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.323 19.003 3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.291 16.871 1.047 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.918 18.318 1.989 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.364 11.263 2.584 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.340 10.292 2.955 1.00 0.00 C ATOM 1515 C TYR A 101 -3.998 10.692 2.344 1.00 0.00 C ATOM 1516 O TYR A 101 -3.822 10.608 1.131 1.00 0.00 O ATOM 1517 CB TYR A 101 -5.755 8.904 2.458 1.00 0.00 C ATOM 1518 CG TYR A 101 -7.024 8.477 3.158 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -6.963 7.952 4.454 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -8.255 8.557 2.493 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -8.131 7.505 5.083 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -9.409 8.049 3.093 1.00 0.00 C ATOM 1523 CZ TYR A 101 -9.348 7.532 4.394 1.00 0.00 C ATOM 1524 OH TYR A 101 -10.471 6.978 4.974 1.00 0.00 O ATOM 0 H TYR A 101 -6.527 11.341 1.580 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.235 10.269 4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.911 8.924 1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.960 8.184 2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.015 7.892 4.968 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.311 9.012 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.093 7.140 6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -10.346 8.055 2.556 1.00 0.00 H new ATOM 0 HH TYR A 101 -11.017 7.687 5.373 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.120 11.341 3.119 1.00 0.00 N ATOM 1535 CA PRO A 102 -1.700 11.519 2.694 1.00 0.00 C ATOM 1536 C PRO A 102 -0.929 10.204 2.572 1.00 0.00 C ATOM 1537 O PRO A 102 -1.039 9.322 3.422 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.136 12.439 3.777 1.00 0.00 C ATOM 1539 CG PRO A 102 -1.908 12.107 5.010 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.287 11.622 4.558 1.00 0.00 C ATOM 0 HA PRO A 102 -1.614 11.934 1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.069 12.269 3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.258 13.488 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.398 11.336 5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.999 12.981 5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.594 10.730 5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.051 12.380 4.729 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.051 10.140 1.570 1.00 0.00 N ATOM 1549 CA TYR A 103 0.966 9.097 1.488 1.00 0.00 C ATOM 1550 C TYR A 103 2.362 9.695 1.345 1.00 0.00 C ATOM 1551 O TYR A 103 2.505 10.814 0.860 1.00 0.00 O ATOM 1552 CB TYR A 103 0.650 8.151 0.328 1.00 0.00 C ATOM 1553 CG TYR A 103 -0.656 7.441 0.605 1.00 0.00 C ATOM 1554 CD1 TYR A 103 -0.658 6.317 1.443 1.00 0.00 C ATOM 1555 CD2 TYR A 103 -1.875 8.036 0.246 1.00 0.00 C ATOM 1556 CE1 TYR A 103 -1.863 5.682 1.758 1.00 0.00 C ATOM 1557 CE2 TYR A 103 -3.080 7.472 0.678 1.00 0.00 C ATOM 1558 CZ TYR A 103 -3.078 6.273 1.399 1.00 0.00 C ATOM 1559 OH TYR A 103 -4.268 5.648 1.714 1.00 0.00 O ATOM 0 H TYR A 103 -0.026 10.806 0.798 1.00 0.00 H new ATOM 0 HA TYR A 103 0.952 8.527 2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.582 8.711 -0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.454 7.425 0.206 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.271 5.942 1.845 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -1.883 8.928 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.855 4.736 2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -4.015 7.964 0.454 1.00 0.00 H new ATOM 0 HH TYR A 103 -5.018 6.192 1.394 1.00 0.00 H new