USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 60 SER OG : rot -167:sc= -2.97! USER MOD Set 1.2: A 88 MET CE :methyl 164:sc= -0.312 (180deg=-0.927) USER MOD Set 2.1: A 57 LYS NZ :NH3+ 161:sc= 0.815 (180deg=-0.213) USER MOD Set 2.2: A 93 GLN : amide:sc= -1.77! C(o=-0.95!,f=-9.7!) USER MOD Set 3.1: A 32 SER OG : rot 60:sc= 2.1 USER MOD Set 3.2: A 67 ASN : amide:sc= 1.22 K(o=3.3,f=1) USER MOD Single : A 7 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.07) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 88:sc= 1.22 USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= 1.29 (180deg=0.823) USER MOD Single : A 29 THR OG1 : rot 108:sc= 0.672 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 74:sc= 0.89 USER MOD Single : A 40 SER OG : rot 90:sc= 1.05 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.73) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 0.733 (180deg=0.412) USER MOD Single : A 52 THR OG1 : rot 65:sc= 1.28 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0772) USER MOD Single : A 68 SER OG : rot 75:sc= 1.24 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc=-0.00762 (180deg=-0.0857) USER MOD Single : A 70 THR OG1 : rot -58:sc= 0.708 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 1.02 (180deg=0.95) USER MOD Single : A 74 TYR OH : rot -154:sc= -0.389 USER MOD Single : A 86 THR OG1 : rot 110:sc= 1.03 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 13.082 -5.460 0.359 1.00 0.00 N ATOM 90 CA GLN A 7 13.200 -5.710 1.742 1.00 0.00 C ATOM 91 C GLN A 7 14.123 -6.850 1.963 1.00 0.00 C ATOM 92 O GLN A 7 14.326 -7.706 1.076 1.00 0.00 O ATOM 93 CB GLN A 7 11.877 -6.030 2.431 1.00 0.00 C ATOM 94 CG GLN A 7 10.827 -4.935 2.444 1.00 0.00 C ATOM 95 CD GLN A 7 10.102 -4.777 1.143 1.00 0.00 C ATOM 96 OE1 GLN A 7 9.924 -5.735 0.391 1.00 0.00 O ATOM 97 NE2 GLN A 7 9.670 -3.598 0.868 1.00 0.00 N ATOM 0 HA GLN A 7 13.579 -4.787 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.446 -6.907 1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.091 -6.307 3.463 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.102 -5.149 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.305 -3.989 2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.838 -2.829 1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.160 -3.431 0.001 1.00 0.00 H new ATOM 106 N LEU A 8 14.675 -6.875 3.111 1.00 0.00 N ATOM 107 CA LEU A 8 15.507 -7.944 3.503 1.00 0.00 C ATOM 108 C LEU A 8 14.698 -8.797 4.430 1.00 0.00 C ATOM 109 O LEU A 8 14.067 -8.299 5.362 1.00 0.00 O ATOM 110 CB LEU A 8 16.814 -7.454 4.144 1.00 0.00 C ATOM 111 CG LEU A 8 17.822 -6.689 3.218 1.00 0.00 C ATOM 112 CD1 LEU A 8 17.266 -5.373 2.688 1.00 0.00 C ATOM 113 CD2 LEU A 8 19.143 -6.459 3.920 1.00 0.00 C ATOM 0 H LEU A 8 14.562 -6.146 3.815 1.00 0.00 H new ATOM 0 HA LEU A 8 15.826 -8.523 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.557 -6.800 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 8 17.329 -8.318 4.564 1.00 0.00 H new ATOM 0 HG LEU A 8 17.987 -7.334 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.011 -4.892 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.365 -5.567 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.024 -4.717 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 8 19.821 -5.927 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.979 -5.866 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.582 -7.419 4.193 1.00 0.00 H new ATOM 125 N GLU A 9 14.677 -10.043 4.175 1.00 0.00 N ATOM 126 CA GLU A 9 13.806 -10.905 4.875 1.00 0.00 C ATOM 127 C GLU A 9 14.470 -11.483 6.084 1.00 0.00 C ATOM 128 O GLU A 9 15.495 -12.132 5.997 1.00 0.00 O ATOM 129 CB GLU A 9 13.247 -11.963 3.955 1.00 0.00 C ATOM 130 CG GLU A 9 12.541 -11.358 2.735 1.00 0.00 C ATOM 131 CD GLU A 9 11.896 -12.375 1.847 1.00 0.00 C ATOM 132 OE1 GLU A 9 12.559 -12.880 0.927 1.00 0.00 O ATOM 133 OE2 GLU A 9 10.710 -12.687 2.056 1.00 0.00 O ATOM 0 H GLU A 9 15.262 -10.499 3.475 1.00 0.00 H new ATOM 0 HA GLU A 9 12.960 -10.321 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.055 -12.613 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.544 -12.587 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.782 -10.654 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.265 -10.788 2.153 1.00 0.00 H new ATOM 140 N ILE A 10 13.881 -11.242 7.195 1.00 0.00 N ATOM 141 CA ILE A 10 14.440 -11.628 8.460 1.00 0.00 C ATOM 142 C ILE A 10 13.663 -12.780 9.038 1.00 0.00 C ATOM 143 O ILE A 10 12.425 -12.807 8.975 1.00 0.00 O ATOM 144 CB ILE A 10 14.416 -10.443 9.480 1.00 0.00 C ATOM 145 CG1 ILE A 10 15.148 -9.219 8.896 1.00 0.00 C ATOM 146 CG2 ILE A 10 15.050 -10.863 10.811 1.00 0.00 C ATOM 147 CD1 ILE A 10 15.115 -7.986 9.775 1.00 0.00 C ATOM 0 H ILE A 10 12.983 -10.764 7.265 1.00 0.00 H new ATOM 0 HA ILE A 10 15.475 -11.922 8.285 1.00 0.00 H new ATOM 0 HB ILE A 10 13.377 -10.170 9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 10 16.188 -9.489 8.710 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.705 -8.973 7.931 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.024 -10.025 11.507 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.493 -11.701 11.231 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.084 -11.163 10.643 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.654 -7.175 9.285 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.081 -7.685 9.941 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.587 -8.209 10.732 1.00 0.00 H new ATOM 159 N LYS A 11 14.375 -13.730 9.563 1.00 0.00 N ATOM 160 CA LYS A 11 13.765 -14.825 10.254 1.00 0.00 C ATOM 161 C LYS A 11 14.320 -14.893 11.658 1.00 0.00 C ATOM 162 O LYS A 11 15.509 -14.584 11.888 1.00 0.00 O ATOM 163 CB LYS A 11 13.953 -16.176 9.541 1.00 0.00 C ATOM 164 CG LYS A 11 15.388 -16.670 9.421 1.00 0.00 C ATOM 165 CD LYS A 11 15.448 -18.068 8.797 1.00 0.00 C ATOM 166 CE LYS A 11 14.685 -19.094 9.638 1.00 0.00 C ATOM 167 NZ LYS A 11 14.766 -20.456 9.073 1.00 0.00 N ATOM 0 H LYS A 11 15.394 -13.768 9.525 1.00 0.00 H new ATOM 0 HA LYS A 11 12.691 -14.640 10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.373 -16.930 10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.531 -16.098 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.964 -15.973 8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.851 -16.690 10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.028 -18.037 7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.488 -18.379 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.086 -19.099 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.639 -18.795 9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.102 -21.080 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.519 -20.428 8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.734 -20.820 9.183 1.00 0.00 H new ATOM 181 N PHE A 12 13.493 -15.279 12.581 1.00 0.00 N ATOM 182 CA PHE A 12 13.896 -15.378 13.956 1.00 0.00 C ATOM 183 C PHE A 12 14.342 -16.793 14.227 1.00 0.00 C ATOM 184 O PHE A 12 13.561 -17.732 14.087 1.00 0.00 O ATOM 185 CB PHE A 12 12.730 -15.021 14.891 1.00 0.00 C ATOM 186 CG PHE A 12 12.165 -13.636 14.698 1.00 0.00 C ATOM 187 CD1 PHE A 12 12.706 -12.552 15.368 1.00 0.00 C ATOM 188 CD2 PHE A 12 11.084 -13.422 13.850 1.00 0.00 C ATOM 189 CE1 PHE A 12 12.183 -11.283 15.199 1.00 0.00 C ATOM 190 CE2 PHE A 12 10.560 -12.156 13.675 1.00 0.00 C ATOM 191 CZ PHE A 12 11.109 -11.085 14.350 1.00 0.00 C ATOM 0 H PHE A 12 12.521 -15.534 12.406 1.00 0.00 H new ATOM 0 HA PHE A 12 14.712 -14.679 14.142 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.931 -15.748 14.746 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.067 -15.120 15.923 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.546 -12.699 16.030 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.648 -14.257 13.321 1.00 0.00 H new ATOM 0 HE1 PHE A 12 12.613 -10.447 15.730 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.722 -12.005 13.011 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.701 -10.094 14.216 1.00 0.00 H new ATOM 201 N ARG A 13 15.583 -16.955 14.580 1.00 0.00 N ATOM 202 CA ARG A 13 16.113 -18.258 14.879 1.00 0.00 C ATOM 203 C ARG A 13 16.236 -18.330 16.390 1.00 0.00 C ATOM 204 O ARG A 13 17.081 -17.666 16.976 1.00 0.00 O ATOM 205 CB ARG A 13 17.502 -18.414 14.214 1.00 0.00 C ATOM 206 CG ARG A 13 18.052 -19.849 14.081 1.00 0.00 C ATOM 207 CD ARG A 13 18.165 -20.593 15.401 1.00 0.00 C ATOM 208 NE ARG A 13 18.757 -21.908 15.219 1.00 0.00 N ATOM 209 CZ ARG A 13 18.085 -23.057 15.146 1.00 0.00 C ATOM 210 NH1 ARG A 13 16.749 -23.071 15.201 1.00 0.00 N ATOM 211 NH2 ARG A 13 18.751 -24.190 15.016 1.00 0.00 N ATOM 0 H ARG A 13 16.256 -16.194 14.669 1.00 0.00 H new ATOM 0 HA ARG A 13 15.472 -19.055 14.502 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.453 -17.975 13.217 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.220 -17.826 14.786 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.404 -20.415 13.411 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.036 -19.808 13.614 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.771 -20.013 16.097 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.176 -20.696 15.848 1.00 0.00 H new ATOM 0 HE ARG A 13 19.773 -21.956 15.140 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.233 -22.196 15.300 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.245 -23.956 15.144 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.770 -24.180 14.972 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.246 -25.075 14.959 1.00 0.00 H new ATOM 225 N LEU A 14 15.411 -19.115 17.005 1.00 0.00 N ATOM 226 CA LEU A 14 15.391 -19.213 18.435 1.00 0.00 C ATOM 227 C LEU A 14 16.469 -20.150 18.938 1.00 0.00 C ATOM 228 O LEU A 14 16.736 -21.192 18.336 1.00 0.00 O ATOM 229 CB LEU A 14 14.019 -19.701 18.956 1.00 0.00 C ATOM 230 CG LEU A 14 12.772 -18.822 18.699 1.00 0.00 C ATOM 231 CD1 LEU A 14 12.949 -17.419 19.235 1.00 0.00 C ATOM 232 CD2 LEU A 14 12.344 -18.808 17.236 1.00 0.00 C ATOM 0 H LEU A 14 14.730 -19.709 16.532 1.00 0.00 H new ATOM 0 HA LEU A 14 15.578 -18.209 18.816 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.829 -20.681 18.518 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.106 -19.844 20.033 1.00 0.00 H new ATOM 0 HG LEU A 14 11.959 -19.289 19.255 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.050 -16.836 19.033 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.121 -17.459 20.311 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.803 -16.949 18.748 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.465 -18.174 17.120 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.156 -18.417 16.623 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.105 -19.823 16.917 1.00 0.00 H new ATOM 244 N THR A 15 17.054 -19.780 20.061 1.00 0.00 N ATOM 245 CA THR A 15 18.059 -20.578 20.786 1.00 0.00 C ATOM 246 C THR A 15 17.443 -21.908 21.258 1.00 0.00 C ATOM 247 O THR A 15 18.130 -22.837 21.656 1.00 0.00 O ATOM 248 CB THR A 15 18.562 -19.767 22.001 1.00 0.00 C ATOM 249 OG1 THR A 15 19.597 -20.460 22.708 1.00 0.00 O ATOM 250 CG2 THR A 15 17.417 -19.441 22.953 1.00 0.00 C ATOM 0 H THR A 15 16.846 -18.892 20.518 1.00 0.00 H new ATOM 0 HA THR A 15 18.894 -20.802 20.122 1.00 0.00 H new ATOM 0 HB THR A 15 18.976 -18.837 21.613 1.00 0.00 H new ATOM 0 HG1 THR A 15 19.893 -19.918 23.469 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.799 -18.870 23.799 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.664 -18.853 22.428 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.968 -20.367 23.313 1.00 0.00 H new ATOM 258 N ASP A 16 16.143 -21.955 21.172 1.00 0.00 N ATOM 259 CA ASP A 16 15.322 -23.106 21.550 1.00 0.00 C ATOM 260 C ASP A 16 15.387 -24.180 20.454 1.00 0.00 C ATOM 261 O ASP A 16 14.930 -25.299 20.629 1.00 0.00 O ATOM 262 CB ASP A 16 13.866 -22.607 21.710 1.00 0.00 C ATOM 263 CG ASP A 16 12.854 -23.692 22.018 1.00 0.00 C ATOM 264 OD1 ASP A 16 12.671 -24.025 23.200 1.00 0.00 O ATOM 265 OD2 ASP A 16 12.201 -24.200 21.072 1.00 0.00 O ATOM 0 H ASP A 16 15.591 -21.171 20.825 1.00 0.00 H new ATOM 0 HA ASP A 16 15.684 -23.545 22.480 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.837 -21.865 22.508 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.567 -22.101 20.792 1.00 0.00 H new ATOM 270 N GLY A 17 15.987 -23.828 19.336 1.00 0.00 N ATOM 271 CA GLY A 17 16.127 -24.749 18.227 1.00 0.00 C ATOM 272 C GLY A 17 14.987 -24.622 17.259 1.00 0.00 C ATOM 273 O GLY A 17 14.935 -25.306 16.246 1.00 0.00 O ATOM 0 H GLY A 17 16.388 -22.905 19.171 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.067 -24.558 17.710 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.173 -25.770 18.605 1.00 0.00 H new ATOM 277 N SER A 18 14.120 -23.700 17.545 1.00 0.00 N ATOM 278 CA SER A 18 12.988 -23.418 16.715 1.00 0.00 C ATOM 279 C SER A 18 13.313 -22.199 15.866 1.00 0.00 C ATOM 280 O SER A 18 14.301 -21.492 16.145 1.00 0.00 O ATOM 281 CB SER A 18 11.779 -23.140 17.608 1.00 0.00 C ATOM 282 OG SER A 18 11.546 -24.237 18.493 1.00 0.00 O ATOM 0 H SER A 18 14.180 -23.112 18.376 1.00 0.00 H new ATOM 0 HA SER A 18 12.759 -24.262 16.065 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.947 -22.230 18.184 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.896 -22.969 16.992 1.00 0.00 H new ATOM 0 HG SER A 18 12.068 -24.112 19.313 1.00 0.00 H new ATOM 288 N ASP A 19 12.547 -21.956 14.842 1.00 0.00 N ATOM 289 CA ASP A 19 12.728 -20.808 14.030 1.00 0.00 C ATOM 290 C ASP A 19 11.414 -20.385 13.422 1.00 0.00 C ATOM 291 O ASP A 19 10.493 -21.191 13.273 1.00 0.00 O ATOM 292 CB ASP A 19 13.784 -21.034 12.947 1.00 0.00 C ATOM 293 CG ASP A 19 13.471 -22.139 11.965 1.00 0.00 C ATOM 294 OD1 ASP A 19 13.517 -23.321 12.344 1.00 0.00 O ATOM 295 OD2 ASP A 19 13.199 -21.830 10.790 1.00 0.00 O ATOM 0 H ASP A 19 11.777 -22.559 14.553 1.00 0.00 H new ATOM 0 HA ASP A 19 13.094 -20.004 14.669 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.918 -20.105 12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.735 -21.258 13.430 1.00 0.00 H new ATOM 300 N ILE A 20 11.323 -19.126 13.115 1.00 0.00 N ATOM 301 CA ILE A 20 10.139 -18.539 12.526 1.00 0.00 C ATOM 302 C ILE A 20 10.418 -18.238 11.061 1.00 0.00 C ATOM 303 O ILE A 20 11.532 -17.815 10.721 1.00 0.00 O ATOM 304 CB ILE A 20 9.744 -17.228 13.279 1.00 0.00 C ATOM 305 CG1 ILE A 20 9.474 -17.536 14.766 1.00 0.00 C ATOM 306 CG2 ILE A 20 8.520 -16.567 12.636 1.00 0.00 C ATOM 307 CD1 ILE A 20 9.135 -16.322 15.611 1.00 0.00 C ATOM 0 H ILE A 20 12.079 -18.459 13.266 1.00 0.00 H new ATOM 0 HA ILE A 20 9.308 -19.239 12.608 1.00 0.00 H new ATOM 0 HB ILE A 20 10.576 -16.527 13.207 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.653 -18.249 14.832 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.353 -18.022 15.188 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.269 -15.657 13.182 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.744 -16.318 11.599 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.675 -17.255 12.670 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.961 -16.633 16.641 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.964 -15.615 15.581 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.236 -15.845 15.219 1.00 0.00 H new ATOM 319 N GLY A 21 9.428 -18.482 10.207 1.00 0.00 N ATOM 320 CA GLY A 21 9.576 -18.239 8.782 1.00 0.00 C ATOM 321 C GLY A 21 9.874 -16.776 8.471 1.00 0.00 C ATOM 322 O GLY A 21 9.215 -15.880 9.020 1.00 0.00 O ATOM 0 H GLY A 21 8.516 -18.848 10.481 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.380 -18.862 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.663 -18.538 8.268 1.00 0.00 H new ATOM 326 N PRO A 22 10.851 -16.511 7.585 1.00 0.00 N ATOM 327 CA PRO A 22 11.299 -15.154 7.265 1.00 0.00 C ATOM 328 C PRO A 22 10.206 -14.265 6.688 1.00 0.00 C ATOM 329 O PRO A 22 9.361 -14.710 5.901 1.00 0.00 O ATOM 330 CB PRO A 22 12.419 -15.356 6.234 1.00 0.00 C ATOM 331 CG PRO A 22 12.223 -16.736 5.708 1.00 0.00 C ATOM 332 CD PRO A 22 11.593 -17.524 6.817 1.00 0.00 C ATOM 0 HA PRO A 22 11.619 -14.638 8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.356 -14.618 5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.401 -15.246 6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.584 -16.728 4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.174 -17.177 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.931 -18.299 6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.343 -18.022 7.431 1.00 0.00 H new ATOM 340 N LYS A 23 10.237 -13.021 7.080 1.00 0.00 N ATOM 341 CA LYS A 23 9.296 -12.019 6.623 1.00 0.00 C ATOM 342 C LYS A 23 10.084 -10.936 5.999 1.00 0.00 C ATOM 343 O LYS A 23 11.269 -10.832 6.241 1.00 0.00 O ATOM 344 CB LYS A 23 8.537 -11.425 7.794 1.00 0.00 C ATOM 345 CG LYS A 23 7.840 -12.438 8.611 1.00 0.00 C ATOM 346 CD LYS A 23 7.306 -11.840 9.892 1.00 0.00 C ATOM 347 CE LYS A 23 6.707 -12.891 10.814 1.00 0.00 C ATOM 348 NZ LYS A 23 5.590 -13.635 10.197 1.00 0.00 N ATOM 0 H LYS A 23 10.928 -12.662 7.739 1.00 0.00 H new ATOM 0 HA LYS A 23 8.585 -12.470 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.232 -10.873 8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.808 -10.706 7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.018 -12.868 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.525 -13.253 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.111 -11.321 10.411 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.548 -11.094 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.486 -13.595 11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.354 -12.408 11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.880 -13.860 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.154 -13.053 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.949 -14.517 9.779 1.00 0.00 H new ATOM 362 N ALA A 24 9.453 -10.130 5.252 1.00 0.00 N ATOM 363 CA ALA A 24 10.166 -9.051 4.578 1.00 0.00 C ATOM 364 C ALA A 24 10.173 -7.795 5.434 1.00 0.00 C ATOM 365 O ALA A 24 9.109 -7.264 5.799 1.00 0.00 O ATOM 366 CB ALA A 24 9.576 -8.773 3.191 1.00 0.00 C ATOM 0 H ALA A 24 8.450 -10.168 5.071 1.00 0.00 H new ATOM 0 HA ALA A 24 11.199 -9.369 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.130 -7.964 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.648 -9.671 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.529 -8.486 3.292 1.00 0.00 H new ATOM 372 N PHE A 25 11.355 -7.314 5.744 1.00 0.00 N ATOM 373 CA PHE A 25 11.513 -6.122 6.547 1.00 0.00 C ATOM 374 C PHE A 25 12.440 -5.181 5.826 1.00 0.00 C ATOM 375 O PHE A 25 13.430 -5.612 5.250 1.00 0.00 O ATOM 376 CB PHE A 25 12.191 -6.426 7.894 1.00 0.00 C ATOM 377 CG PHE A 25 11.544 -7.439 8.786 1.00 0.00 C ATOM 378 CD1 PHE A 25 11.701 -8.778 8.535 1.00 0.00 C ATOM 379 CD2 PHE A 25 10.831 -7.054 9.908 1.00 0.00 C ATOM 380 CE1 PHE A 25 11.176 -9.724 9.369 1.00 0.00 C ATOM 381 CE2 PHE A 25 10.288 -8.005 10.749 1.00 0.00 C ATOM 382 CZ PHE A 25 10.471 -9.347 10.468 1.00 0.00 C ATOM 0 H PHE A 25 12.234 -7.737 5.447 1.00 0.00 H new ATOM 0 HA PHE A 25 10.519 -5.706 6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.208 -6.760 7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.268 -5.491 8.449 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.251 -9.091 7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.699 -6.005 10.127 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.321 -10.773 9.155 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.725 -7.703 11.620 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.053 -10.097 11.123 1.00 0.00 H new ATOM 392 N PRO A 26 12.132 -3.907 5.784 1.00 0.00 N ATOM 393 CA PRO A 26 13.076 -2.920 5.300 1.00 0.00 C ATOM 394 C PRO A 26 14.334 -2.947 6.167 1.00 0.00 C ATOM 395 O PRO A 26 14.270 -3.245 7.359 1.00 0.00 O ATOM 396 CB PRO A 26 12.342 -1.600 5.509 1.00 0.00 C ATOM 397 CG PRO A 26 10.908 -1.966 5.453 1.00 0.00 C ATOM 398 CD PRO A 26 10.827 -3.307 6.124 1.00 0.00 C ATOM 0 HA PRO A 26 13.384 -3.086 4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.600 -1.149 6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.598 -0.876 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.291 -1.229 5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.553 -2.017 4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.690 -3.215 7.201 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.995 -3.901 5.746 1.00 0.00 H new ATOM 406 N ASP A 27 15.443 -2.646 5.588 1.00 0.00 N ATOM 407 CA ASP A 27 16.704 -2.644 6.310 1.00 0.00 C ATOM 408 C ASP A 27 16.730 -1.469 7.301 1.00 0.00 C ATOM 409 O ASP A 27 17.442 -1.475 8.292 1.00 0.00 O ATOM 410 CB ASP A 27 17.848 -2.568 5.314 1.00 0.00 C ATOM 411 CG ASP A 27 19.208 -2.649 5.940 1.00 0.00 C ATOM 412 OD1 ASP A 27 19.504 -3.660 6.589 1.00 0.00 O ATOM 413 OD2 ASP A 27 20.024 -1.725 5.714 1.00 0.00 O ATOM 0 H ASP A 27 15.521 -2.392 4.603 1.00 0.00 H new ATOM 0 HA ASP A 27 16.814 -3.564 6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.743 -3.378 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 27 17.770 -1.634 4.758 1.00 0.00 H new ATOM 418 N ALA A 28 15.892 -0.482 7.034 1.00 0.00 N ATOM 419 CA ALA A 28 15.755 0.683 7.892 1.00 0.00 C ATOM 420 C ALA A 28 14.803 0.406 9.076 1.00 0.00 C ATOM 421 O ALA A 28 14.467 1.318 9.838 1.00 0.00 O ATOM 422 CB ALA A 28 15.252 1.862 7.080 1.00 0.00 C ATOM 0 H ALA A 28 15.286 -0.466 6.214 1.00 0.00 H new ATOM 0 HA ALA A 28 16.736 0.917 8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.151 2.733 7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.961 2.083 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 28 14.282 1.618 6.646 1.00 0.00 H new ATOM 428 N THR A 29 14.364 -0.837 9.214 1.00 0.00 N ATOM 429 CA THR A 29 13.493 -1.229 10.318 1.00 0.00 C ATOM 430 C THR A 29 14.249 -1.172 11.657 1.00 0.00 C ATOM 431 O THR A 29 15.429 -1.553 11.740 1.00 0.00 O ATOM 432 CB THR A 29 12.921 -2.657 10.093 1.00 0.00 C ATOM 433 OG1 THR A 29 12.218 -2.680 8.855 1.00 0.00 O ATOM 434 CG2 THR A 29 11.965 -3.071 11.205 1.00 0.00 C ATOM 0 H THR A 29 14.597 -1.596 8.573 1.00 0.00 H new ATOM 0 HA THR A 29 12.663 -0.523 10.353 1.00 0.00 H new ATOM 0 HB THR A 29 13.757 -3.357 10.087 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.731 -3.194 8.197 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.590 -4.075 11.007 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.491 -3.062 12.159 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.129 -2.372 11.245 1.00 0.00 H new ATOM 442 N THR A 30 13.578 -0.678 12.672 1.00 0.00 N ATOM 443 CA THR A 30 14.135 -0.584 13.994 1.00 0.00 C ATOM 444 C THR A 30 14.188 -1.968 14.648 1.00 0.00 C ATOM 445 O THR A 30 13.295 -2.791 14.440 1.00 0.00 O ATOM 446 CB THR A 30 13.287 0.370 14.876 1.00 0.00 C ATOM 447 OG1 THR A 30 11.911 -0.068 14.904 1.00 0.00 O ATOM 448 CG2 THR A 30 13.349 1.799 14.355 1.00 0.00 C ATOM 0 H THR A 30 12.623 -0.328 12.599 1.00 0.00 H new ATOM 0 HA THR A 30 15.146 -0.186 13.909 1.00 0.00 H new ATOM 0 HB THR A 30 13.700 0.347 15.884 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.385 0.540 15.465 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.746 2.445 14.993 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.383 2.145 14.363 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.963 1.832 13.336 1.00 0.00 H new ATOM 456 N VAL A 31 15.221 -2.223 15.429 1.00 0.00 N ATOM 457 CA VAL A 31 15.351 -3.488 16.143 1.00 0.00 C ATOM 458 C VAL A 31 14.227 -3.627 17.189 1.00 0.00 C ATOM 459 O VAL A 31 13.816 -4.737 17.544 1.00 0.00 O ATOM 460 CB VAL A 31 16.773 -3.647 16.755 1.00 0.00 C ATOM 461 CG1 VAL A 31 16.891 -4.915 17.596 1.00 0.00 C ATOM 462 CG2 VAL A 31 17.807 -3.687 15.634 1.00 0.00 C ATOM 0 H VAL A 31 15.988 -1.570 15.588 1.00 0.00 H new ATOM 0 HA VAL A 31 15.235 -4.309 15.435 1.00 0.00 H new ATOM 0 HB VAL A 31 16.953 -2.793 17.408 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.899 -4.988 18.005 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.170 -4.878 18.413 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.689 -5.786 16.972 1.00 0.00 H new ATOM 0 HG21 VAL A 31 18.803 -3.798 16.062 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.598 -4.531 14.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.759 -2.760 15.062 1.00 0.00 H new ATOM 472 N SER A 32 13.715 -2.496 17.658 1.00 0.00 N ATOM 473 CA SER A 32 12.553 -2.494 18.527 1.00 0.00 C ATOM 474 C SER A 32 11.349 -3.149 17.810 1.00 0.00 C ATOM 475 O SER A 32 10.634 -3.953 18.402 1.00 0.00 O ATOM 476 CB SER A 32 12.206 -1.065 18.959 1.00 0.00 C ATOM 477 OG SER A 32 13.297 -0.458 19.635 1.00 0.00 O ATOM 0 H SER A 32 14.089 -1.570 17.449 1.00 0.00 H new ATOM 0 HA SER A 32 12.786 -3.074 19.420 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.940 -0.471 18.084 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.333 -1.080 19.611 1.00 0.00 H new ATOM 0 HG SER A 32 14.076 -0.431 19.041 1.00 0.00 H new ATOM 483 N ALA A 33 11.175 -2.839 16.510 1.00 0.00 N ATOM 484 CA ALA A 33 10.070 -3.388 15.717 1.00 0.00 C ATOM 485 C ALA A 33 10.198 -4.902 15.564 1.00 0.00 C ATOM 486 O ALA A 33 9.192 -5.607 15.441 1.00 0.00 O ATOM 487 CB ALA A 33 9.981 -2.716 14.361 1.00 0.00 C ATOM 0 H ALA A 33 11.789 -2.211 15.992 1.00 0.00 H new ATOM 0 HA ALA A 33 9.145 -3.182 16.256 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.153 -3.144 13.796 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.815 -1.647 14.495 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.911 -2.873 13.815 1.00 0.00 H new ATOM 493 N LEU A 34 11.434 -5.398 15.565 1.00 0.00 N ATOM 494 CA LEU A 34 11.690 -6.834 15.560 1.00 0.00 C ATOM 495 C LEU A 34 11.051 -7.488 16.775 1.00 0.00 C ATOM 496 O LEU A 34 10.376 -8.510 16.662 1.00 0.00 O ATOM 497 CB LEU A 34 13.206 -7.137 15.519 1.00 0.00 C ATOM 498 CG LEU A 34 13.915 -7.140 14.147 1.00 0.00 C ATOM 499 CD1 LEU A 34 13.380 -8.263 13.271 1.00 0.00 C ATOM 500 CD2 LEU A 34 13.790 -5.811 13.420 1.00 0.00 C ATOM 0 H LEU A 34 12.276 -4.822 15.569 1.00 0.00 H new ATOM 0 HA LEU A 34 11.243 -7.251 14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.709 -6.405 16.151 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.362 -8.114 15.976 1.00 0.00 H new ATOM 0 HG LEU A 34 14.975 -7.304 14.344 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.892 -8.249 12.309 1.00 0.00 H new ATOM 0 HD12 LEU A 34 13.554 -9.221 13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.310 -8.125 13.115 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.307 -5.870 12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.737 -5.586 13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.237 -5.022 14.025 1.00 0.00 H new ATOM 512 N LYS A 35 11.222 -6.867 17.927 1.00 0.00 N ATOM 513 CA LYS A 35 10.658 -7.387 19.148 1.00 0.00 C ATOM 514 C LYS A 35 9.144 -7.209 19.173 1.00 0.00 C ATOM 515 O LYS A 35 8.417 -8.066 19.651 1.00 0.00 O ATOM 516 CB LYS A 35 11.314 -6.763 20.365 1.00 0.00 C ATOM 517 CG LYS A 35 12.796 -7.080 20.470 1.00 0.00 C ATOM 518 CD LYS A 35 13.408 -6.488 21.719 1.00 0.00 C ATOM 519 CE LYS A 35 14.903 -6.729 21.777 1.00 0.00 C ATOM 520 NZ LYS A 35 15.482 -6.287 23.062 1.00 0.00 N ATOM 0 H LYS A 35 11.749 -6.001 18.038 1.00 0.00 H new ATOM 0 HA LYS A 35 10.862 -8.457 19.182 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.181 -5.682 20.328 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.808 -7.115 21.264 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.938 -8.161 20.473 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.314 -6.693 19.592 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.210 -5.416 21.749 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.934 -6.924 22.599 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.106 -7.790 21.633 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.388 -6.198 20.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.506 -6.469 23.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.311 -5.269 23.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.037 -6.812 23.842 1.00 0.00 H new ATOM 534 N GLU A 36 8.680 -6.110 18.633 1.00 0.00 N ATOM 535 CA GLU A 36 7.250 -5.858 18.518 1.00 0.00 C ATOM 536 C GLU A 36 6.587 -6.929 17.652 1.00 0.00 C ATOM 537 O GLU A 36 5.450 -7.363 17.915 1.00 0.00 O ATOM 538 CB GLU A 36 7.010 -4.473 17.934 1.00 0.00 C ATOM 539 CG GLU A 36 7.554 -3.351 18.797 1.00 0.00 C ATOM 540 CD GLU A 36 6.884 -3.266 20.152 1.00 0.00 C ATOM 541 OE1 GLU A 36 7.041 -4.182 20.980 1.00 0.00 O ATOM 542 OE2 GLU A 36 6.221 -2.247 20.422 1.00 0.00 O ATOM 0 H GLU A 36 9.270 -5.366 18.261 1.00 0.00 H new ATOM 0 HA GLU A 36 6.805 -5.899 19.512 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.471 -4.418 16.948 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.939 -4.327 17.794 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.625 -3.495 18.936 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.425 -2.403 18.274 1.00 0.00 H new ATOM 549 N THR A 37 7.298 -7.361 16.640 1.00 0.00 N ATOM 550 CA THR A 37 6.826 -8.400 15.775 1.00 0.00 C ATOM 551 C THR A 37 6.906 -9.766 16.467 1.00 0.00 C ATOM 552 O THR A 37 5.968 -10.549 16.391 1.00 0.00 O ATOM 553 CB THR A 37 7.626 -8.427 14.451 1.00 0.00 C ATOM 554 OG1 THR A 37 7.485 -7.150 13.788 1.00 0.00 O ATOM 555 CG2 THR A 37 7.129 -9.551 13.524 1.00 0.00 C ATOM 0 H THR A 37 8.220 -6.999 16.397 1.00 0.00 H new ATOM 0 HA THR A 37 5.782 -8.188 15.543 1.00 0.00 H new ATOM 0 HB THR A 37 8.674 -8.618 14.680 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.017 -6.476 14.260 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.710 -9.545 12.602 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.249 -10.513 14.022 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.076 -9.392 13.291 1.00 0.00 H new ATOM 563 N VAL A 38 8.009 -10.024 17.181 1.00 0.00 N ATOM 564 CA VAL A 38 8.229 -11.330 17.806 1.00 0.00 C ATOM 565 C VAL A 38 7.144 -11.623 18.840 1.00 0.00 C ATOM 566 O VAL A 38 6.627 -12.716 18.890 1.00 0.00 O ATOM 567 CB VAL A 38 9.666 -11.466 18.437 1.00 0.00 C ATOM 568 CG1 VAL A 38 9.829 -10.735 19.760 1.00 0.00 C ATOM 569 CG2 VAL A 38 10.114 -12.909 18.539 1.00 0.00 C ATOM 0 H VAL A 38 8.757 -9.349 17.338 1.00 0.00 H new ATOM 0 HA VAL A 38 8.166 -12.076 17.014 1.00 0.00 H new ATOM 0 HB VAL A 38 10.331 -10.962 17.736 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.844 -10.876 20.131 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.640 -9.671 19.614 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.119 -11.133 20.485 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.110 -12.950 18.980 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.416 -13.463 19.167 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.139 -13.353 17.544 1.00 0.00 H new ATOM 579 N ILE A 39 6.776 -10.609 19.615 1.00 0.00 N ATOM 580 CA ILE A 39 5.727 -10.752 20.640 1.00 0.00 C ATOM 581 C ILE A 39 4.388 -11.112 19.996 1.00 0.00 C ATOM 582 O ILE A 39 3.640 -11.949 20.499 1.00 0.00 O ATOM 583 CB ILE A 39 5.556 -9.450 21.488 1.00 0.00 C ATOM 584 CG1 ILE A 39 6.872 -9.098 22.187 1.00 0.00 C ATOM 585 CG2 ILE A 39 4.426 -9.606 22.518 1.00 0.00 C ATOM 586 CD1 ILE A 39 6.798 -7.876 23.074 1.00 0.00 C ATOM 0 H ILE A 39 7.183 -9.676 19.560 1.00 0.00 H new ATOM 0 HA ILE A 39 6.043 -11.556 21.305 1.00 0.00 H new ATOM 0 HB ILE A 39 5.286 -8.637 20.814 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.190 -9.950 22.788 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.640 -8.937 21.430 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.329 -8.686 23.094 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.488 -9.811 22.001 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.658 -10.432 23.190 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.772 -7.698 23.530 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.513 -7.010 22.477 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.056 -8.038 23.856 1.00 0.00 H new ATOM 598 N SER A 40 4.116 -10.496 18.875 1.00 0.00 N ATOM 599 CA SER A 40 2.875 -10.703 18.161 1.00 0.00 C ATOM 600 C SER A 40 2.880 -12.058 17.428 1.00 0.00 C ATOM 601 O SER A 40 1.842 -12.708 17.278 1.00 0.00 O ATOM 602 CB SER A 40 2.692 -9.564 17.164 1.00 0.00 C ATOM 603 OG SER A 40 2.801 -8.304 17.822 1.00 0.00 O ATOM 0 H SER A 40 4.749 -9.833 18.427 1.00 0.00 H new ATOM 0 HA SER A 40 2.048 -10.715 18.871 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.443 -9.637 16.378 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.718 -9.647 16.683 1.00 0.00 H new ATOM 0 HG SER A 40 3.736 -8.012 17.817 1.00 0.00 H new ATOM 609 N GLU A 41 4.048 -12.465 16.988 1.00 0.00 N ATOM 610 CA GLU A 41 4.242 -13.671 16.232 1.00 0.00 C ATOM 611 C GLU A 41 4.347 -14.915 17.148 1.00 0.00 C ATOM 612 O GLU A 41 3.882 -16.003 16.789 1.00 0.00 O ATOM 613 CB GLU A 41 5.495 -13.461 15.381 1.00 0.00 C ATOM 614 CG GLU A 41 5.910 -14.589 14.488 1.00 0.00 C ATOM 615 CD GLU A 41 4.835 -15.040 13.527 1.00 0.00 C ATOM 616 OE1 GLU A 41 4.531 -14.309 12.572 1.00 0.00 O ATOM 617 OE2 GLU A 41 4.284 -16.145 13.722 1.00 0.00 O ATOM 0 H GLU A 41 4.912 -11.948 17.153 1.00 0.00 H new ATOM 0 HA GLU A 41 3.383 -13.869 15.591 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.339 -12.578 14.761 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.325 -13.237 16.051 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.787 -14.284 13.918 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.210 -15.436 15.105 1.00 0.00 H new ATOM 624 N TRP A 42 4.925 -14.740 18.321 1.00 0.00 N ATOM 625 CA TRP A 42 5.097 -15.828 19.279 1.00 0.00 C ATOM 626 C TRP A 42 3.715 -16.278 19.778 1.00 0.00 C ATOM 627 O TRP A 42 2.821 -15.423 19.943 1.00 0.00 O ATOM 628 CB TRP A 42 5.969 -15.338 20.459 1.00 0.00 C ATOM 629 CG TRP A 42 6.511 -16.432 21.337 1.00 0.00 C ATOM 630 CD1 TRP A 42 6.066 -16.824 22.573 1.00 0.00 C ATOM 631 CD2 TRP A 42 7.614 -17.281 21.020 1.00 0.00 C ATOM 632 NE1 TRP A 42 6.858 -17.854 23.050 1.00 0.00 N ATOM 633 CE2 TRP A 42 7.801 -18.157 22.098 1.00 0.00 C ATOM 634 CE3 TRP A 42 8.466 -17.378 19.918 1.00 0.00 C ATOM 635 CZ2 TRP A 42 8.806 -19.118 22.103 1.00 0.00 C ATOM 636 CZ3 TRP A 42 9.458 -18.330 19.932 1.00 0.00 C ATOM 637 CH2 TRP A 42 9.619 -19.189 21.016 1.00 0.00 C ATOM 0 H TRP A 42 5.290 -13.843 18.641 1.00 0.00 H new ATOM 0 HA TRP A 42 5.595 -16.674 18.805 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.805 -14.763 20.061 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.378 -14.658 21.072 1.00 0.00 H new ATOM 0 HD1 TRP A 42 5.224 -16.394 23.096 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.758 -18.311 23.956 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.348 -16.718 19.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.936 -19.785 22.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 10.125 -18.413 19.086 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.407 -19.927 20.993 1.00 0.00 H new ATOM 648 N PRO A 43 3.506 -17.627 19.957 1.00 0.00 N ATOM 649 CA PRO A 43 2.247 -18.220 20.447 1.00 0.00 C ATOM 650 C PRO A 43 1.519 -17.338 21.464 1.00 0.00 C ATOM 651 O PRO A 43 2.033 -17.057 22.558 1.00 0.00 O ATOM 652 CB PRO A 43 2.723 -19.503 21.103 1.00 0.00 C ATOM 653 CG PRO A 43 3.897 -19.936 20.283 1.00 0.00 C ATOM 654 CD PRO A 43 4.496 -18.686 19.666 1.00 0.00 C ATOM 0 HA PRO A 43 1.522 -18.359 19.645 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.006 -19.335 22.142 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.940 -20.261 21.105 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.632 -20.449 20.903 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.588 -20.638 19.508 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.468 -18.453 20.102 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.648 -18.805 18.593 1.00 0.00 H new ATOM 662 N ARG A 44 0.320 -16.916 21.097 1.00 0.00 N ATOM 663 CA ARG A 44 -0.457 -15.967 21.878 1.00 0.00 C ATOM 664 C ARG A 44 -0.887 -16.548 23.210 1.00 0.00 C ATOM 665 O ARG A 44 -1.062 -15.817 24.181 1.00 0.00 O ATOM 666 CB ARG A 44 -1.694 -15.500 21.095 1.00 0.00 C ATOM 667 CG ARG A 44 -2.720 -16.596 20.851 1.00 0.00 C ATOM 668 CD ARG A 44 -3.894 -16.111 20.032 1.00 0.00 C ATOM 669 NE ARG A 44 -3.514 -15.769 18.666 1.00 0.00 N ATOM 670 CZ ARG A 44 -4.291 -15.103 17.803 1.00 0.00 C ATOM 671 NH1 ARG A 44 -5.492 -14.666 18.171 1.00 0.00 N ATOM 672 NH2 ARG A 44 -3.861 -14.879 16.582 1.00 0.00 N ATOM 0 H ARG A 44 -0.145 -17.224 20.243 1.00 0.00 H new ATOM 0 HA ARG A 44 0.190 -15.112 22.074 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.170 -14.685 21.640 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.373 -15.096 20.135 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.242 -17.430 20.338 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.079 -16.974 21.808 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.662 -16.884 20.010 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.334 -15.238 20.514 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.590 -16.058 18.345 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.829 -14.837 19.118 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.076 -14.160 17.506 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.940 -15.212 16.297 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.448 -14.372 15.920 1.00 0.00 H new ATOM 686 N GLU A 45 -1.035 -17.853 23.257 1.00 0.00 N ATOM 687 CA GLU A 45 -1.520 -18.525 24.455 1.00 0.00 C ATOM 688 C GLU A 45 -0.433 -18.657 25.516 1.00 0.00 C ATOM 689 O GLU A 45 -0.724 -18.916 26.687 1.00 0.00 O ATOM 690 CB GLU A 45 -2.079 -19.904 24.117 1.00 0.00 C ATOM 691 CG GLU A 45 -1.057 -20.862 23.536 1.00 0.00 C ATOM 692 CD GLU A 45 -1.624 -22.226 23.318 1.00 0.00 C ATOM 693 OE1 GLU A 45 -1.688 -22.996 24.285 1.00 0.00 O ATOM 694 OE2 GLU A 45 -2.027 -22.557 22.172 1.00 0.00 O ATOM 0 H GLU A 45 -0.827 -18.478 22.478 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.317 -17.904 24.863 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.501 -20.344 25.020 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.897 -19.788 23.406 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.689 -20.468 22.589 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.201 -20.929 24.208 1.00 0.00 H new ATOM 701 N LYS A 46 0.803 -18.485 25.108 1.00 0.00 N ATOM 702 CA LYS A 46 1.909 -18.624 25.982 1.00 0.00 C ATOM 703 C LYS A 46 2.037 -17.458 26.929 1.00 0.00 C ATOM 704 O LYS A 46 1.722 -16.319 26.587 1.00 0.00 O ATOM 705 CB LYS A 46 3.191 -18.806 25.179 1.00 0.00 C ATOM 706 CG LYS A 46 3.344 -20.165 24.507 1.00 0.00 C ATOM 707 CD LYS A 46 3.437 -21.268 25.544 1.00 0.00 C ATOM 708 CE LYS A 46 3.639 -22.638 24.923 1.00 0.00 C ATOM 709 NZ LYS A 46 3.717 -23.691 25.962 1.00 0.00 N ATOM 0 H LYS A 46 1.055 -18.243 24.150 1.00 0.00 H new ATOM 0 HA LYS A 46 1.737 -19.512 26.591 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.235 -18.032 24.413 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.042 -18.647 25.841 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.495 -20.348 23.849 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.238 -20.169 23.883 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.263 -21.055 26.222 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.527 -21.276 26.143 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.817 -22.856 24.242 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.554 -22.640 24.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.855 -24.617 25.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.517 -23.494 26.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.834 -23.703 26.511 1.00 0.00 H new ATOM 723 N GLU A 47 2.461 -17.765 28.113 1.00 0.00 N ATOM 724 CA GLU A 47 2.762 -16.815 29.121 1.00 0.00 C ATOM 725 C GLU A 47 3.847 -17.415 29.943 1.00 0.00 C ATOM 726 O GLU A 47 3.950 -18.646 30.015 1.00 0.00 O ATOM 727 CB GLU A 47 1.555 -16.452 29.994 1.00 0.00 C ATOM 728 CG GLU A 47 1.863 -15.412 31.075 1.00 0.00 C ATOM 729 CD GLU A 47 0.692 -15.105 31.966 1.00 0.00 C ATOM 730 OE1 GLU A 47 0.447 -15.867 32.920 1.00 0.00 O ATOM 731 OE2 GLU A 47 0.008 -14.081 31.741 1.00 0.00 O ATOM 0 H GLU A 47 2.612 -18.729 28.411 1.00 0.00 H new ATOM 0 HA GLU A 47 3.065 -15.875 28.660 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.758 -16.073 29.355 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.178 -17.357 30.471 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.690 -15.771 31.687 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.196 -14.491 30.597 1.00 0.00 H new ATOM 738 N ASN A 48 4.664 -16.565 30.513 1.00 0.00 N ATOM 739 CA ASN A 48 5.833 -16.963 31.311 1.00 0.00 C ATOM 740 C ASN A 48 6.850 -17.675 30.394 1.00 0.00 C ATOM 741 O ASN A 48 7.735 -18.400 30.842 1.00 0.00 O ATOM 742 CB ASN A 48 5.406 -17.868 32.495 1.00 0.00 C ATOM 743 CG ASN A 48 6.539 -18.220 33.448 1.00 0.00 C ATOM 744 OD1 ASN A 48 7.463 -17.428 33.676 1.00 0.00 O ATOM 745 ND2 ASN A 48 6.491 -19.413 33.992 1.00 0.00 N ATOM 0 H ASN A 48 4.547 -15.554 30.444 1.00 0.00 H new ATOM 0 HA ASN A 48 6.304 -16.077 31.738 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.617 -17.367 33.055 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.979 -18.789 32.099 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.231 -19.715 34.626 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.714 -20.039 33.781 1.00 0.00 H new ATOM 752 N GLY A 49 6.733 -17.421 29.111 1.00 0.00 N ATOM 753 CA GLY A 49 7.608 -18.010 28.176 1.00 0.00 C ATOM 754 C GLY A 49 8.322 -16.953 27.389 1.00 0.00 C ATOM 755 O GLY A 49 8.305 -15.797 27.768 1.00 0.00 O ATOM 0 H GLY A 49 6.029 -16.803 28.708 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.333 -18.639 28.693 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.047 -18.658 27.502 1.00 0.00 H new ATOM 759 N PRO A 50 8.946 -17.323 26.295 1.00 0.00 N ATOM 760 CA PRO A 50 9.703 -16.390 25.401 1.00 0.00 C ATOM 761 C PRO A 50 8.790 -15.456 24.582 1.00 0.00 C ATOM 762 O PRO A 50 9.015 -15.249 23.395 1.00 0.00 O ATOM 763 CB PRO A 50 10.390 -17.379 24.450 1.00 0.00 C ATOM 764 CG PRO A 50 10.349 -18.689 25.148 1.00 0.00 C ATOM 765 CD PRO A 50 9.036 -18.702 25.816 1.00 0.00 C ATOM 0 HA PRO A 50 10.359 -15.722 25.960 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.872 -17.428 23.492 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.416 -17.076 24.242 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.447 -19.517 24.446 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.163 -18.783 25.867 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.228 -18.952 25.129 1.00 0.00 H new ATOM 0 HD3 PRO A 50 8.997 -19.424 26.632 1.00 0.00 H new ATOM 773 N LYS A 51 7.839 -14.847 25.230 1.00 0.00 N ATOM 774 CA LYS A 51 6.835 -14.066 24.527 1.00 0.00 C ATOM 775 C LYS A 51 7.131 -12.560 24.492 1.00 0.00 C ATOM 776 O LYS A 51 6.910 -11.916 23.476 1.00 0.00 O ATOM 777 CB LYS A 51 5.434 -14.322 25.116 1.00 0.00 C ATOM 778 CG LYS A 51 4.305 -13.606 24.376 1.00 0.00 C ATOM 779 CD LYS A 51 2.953 -13.897 25.002 1.00 0.00 C ATOM 780 CE LYS A 51 1.832 -13.185 24.262 1.00 0.00 C ATOM 781 NZ LYS A 51 0.510 -13.437 24.881 1.00 0.00 N ATOM 0 H LYS A 51 7.729 -14.870 26.244 1.00 0.00 H new ATOM 0 HA LYS A 51 6.866 -14.407 23.492 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.238 -15.394 25.106 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.427 -14.007 26.159 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.487 -12.531 24.386 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.298 -13.919 23.332 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.771 -14.972 24.994 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.959 -13.583 26.046 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.029 -12.113 24.251 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.815 -13.517 23.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.130 -12.646 24.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.111 -14.319 24.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.620 -13.523 25.912 1.00 0.00 H new ATOM 795 N THR A 52 7.618 -12.001 25.580 1.00 0.00 N ATOM 796 CA THR A 52 7.765 -10.569 25.659 1.00 0.00 C ATOM 797 C THR A 52 9.172 -9.999 25.352 1.00 0.00 C ATOM 798 O THR A 52 10.142 -10.715 25.187 1.00 0.00 O ATOM 799 CB THR A 52 7.107 -9.952 26.926 1.00 0.00 C ATOM 800 OG1 THR A 52 7.567 -10.589 28.122 1.00 0.00 O ATOM 801 CG2 THR A 52 5.594 -10.075 26.845 1.00 0.00 C ATOM 0 H THR A 52 7.915 -12.512 26.411 1.00 0.00 H new ATOM 0 HA THR A 52 7.182 -10.222 24.806 1.00 0.00 H new ATOM 0 HB THR A 52 7.393 -8.901 26.963 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.524 -10.412 28.240 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.145 -9.639 27.738 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.233 -9.547 25.963 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.318 -11.127 26.776 1.00 0.00 H new ATOM 809 N VAL A 53 9.218 -8.685 25.281 1.00 0.00 N ATOM 810 CA VAL A 53 10.369 -7.889 24.866 1.00 0.00 C ATOM 811 C VAL A 53 11.520 -7.957 25.874 1.00 0.00 C ATOM 812 O VAL A 53 12.693 -7.847 25.508 1.00 0.00 O ATOM 813 CB VAL A 53 9.919 -6.395 24.653 1.00 0.00 C ATOM 814 CG1 VAL A 53 9.307 -5.809 25.920 1.00 0.00 C ATOM 815 CG2 VAL A 53 11.057 -5.517 24.159 1.00 0.00 C ATOM 0 H VAL A 53 8.413 -8.107 25.523 1.00 0.00 H new ATOM 0 HA VAL A 53 10.743 -8.305 23.931 1.00 0.00 H new ATOM 0 HB VAL A 53 9.153 -6.411 23.877 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.008 -4.777 25.736 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.433 -6.394 26.206 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.041 -5.836 26.725 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.698 -4.496 24.027 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.866 -5.526 24.889 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.424 -5.899 23.206 1.00 0.00 H new ATOM 825 N LYS A 54 11.175 -8.166 27.119 1.00 0.00 N ATOM 826 CA LYS A 54 12.117 -8.133 28.222 1.00 0.00 C ATOM 827 C LYS A 54 13.106 -9.277 28.121 1.00 0.00 C ATOM 828 O LYS A 54 14.298 -9.108 28.358 1.00 0.00 O ATOM 829 CB LYS A 54 11.334 -8.241 29.533 1.00 0.00 C ATOM 830 CG LYS A 54 10.282 -7.157 29.705 1.00 0.00 C ATOM 831 CD LYS A 54 9.404 -7.420 30.913 1.00 0.00 C ATOM 832 CE LYS A 54 8.319 -6.366 31.036 1.00 0.00 C ATOM 833 NZ LYS A 54 7.367 -6.676 32.114 1.00 0.00 N ATOM 0 H LYS A 54 10.217 -8.368 27.405 1.00 0.00 H new ATOM 0 HA LYS A 54 12.677 -7.198 28.189 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.849 -9.216 29.578 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.032 -8.194 30.369 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.770 -6.189 29.813 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.663 -7.104 28.809 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.949 -8.407 30.829 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.014 -7.426 31.816 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.777 -5.395 31.225 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.782 -6.286 30.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.643 -5.931 32.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.910 -7.590 31.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.874 -6.726 33.021 1.00 0.00 H new ATOM 847 N GLU A 55 12.617 -10.411 27.724 1.00 0.00 N ATOM 848 CA GLU A 55 13.420 -11.615 27.688 1.00 0.00 C ATOM 849 C GLU A 55 13.847 -12.061 26.284 1.00 0.00 C ATOM 850 O GLU A 55 14.379 -13.165 26.113 1.00 0.00 O ATOM 851 CB GLU A 55 12.763 -12.766 28.471 1.00 0.00 C ATOM 852 CG GLU A 55 11.312 -13.074 28.142 1.00 0.00 C ATOM 853 CD GLU A 55 10.324 -12.075 28.731 1.00 0.00 C ATOM 854 OE1 GLU A 55 10.067 -11.026 28.107 1.00 0.00 O ATOM 855 OE2 GLU A 55 9.776 -12.339 29.825 1.00 0.00 O ATOM 0 H GLU A 55 11.653 -10.538 27.415 1.00 0.00 H new ATOM 0 HA GLU A 55 14.347 -11.342 28.192 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.349 -13.670 28.303 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.829 -12.536 29.534 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.191 -13.095 27.059 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.069 -14.071 28.510 1.00 0.00 H new ATOM 862 N VAL A 56 13.674 -11.201 25.300 1.00 0.00 N ATOM 863 CA VAL A 56 14.051 -11.536 23.924 1.00 0.00 C ATOM 864 C VAL A 56 15.143 -10.590 23.373 1.00 0.00 C ATOM 865 O VAL A 56 14.947 -9.373 23.308 1.00 0.00 O ATOM 866 CB VAL A 56 12.810 -11.530 22.971 1.00 0.00 C ATOM 867 CG1 VAL A 56 13.231 -11.748 21.529 1.00 0.00 C ATOM 868 CG2 VAL A 56 11.820 -12.614 23.379 1.00 0.00 C ATOM 0 H VAL A 56 13.278 -10.268 25.417 1.00 0.00 H new ATOM 0 HA VAL A 56 14.462 -12.545 23.956 1.00 0.00 H new ATOM 0 HB VAL A 56 12.332 -10.554 23.054 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.350 -11.739 20.887 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.910 -10.952 21.224 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.736 -12.710 21.439 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.963 -12.596 22.706 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.305 -13.589 23.324 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.483 -12.434 24.400 1.00 0.00 H new ATOM 878 N LYS A 57 16.302 -11.157 23.023 1.00 0.00 N ATOM 879 CA LYS A 57 17.401 -10.410 22.384 1.00 0.00 C ATOM 880 C LYS A 57 17.687 -10.910 20.977 1.00 0.00 C ATOM 881 O LYS A 57 17.612 -12.113 20.713 1.00 0.00 O ATOM 882 CB LYS A 57 18.703 -10.448 23.208 1.00 0.00 C ATOM 883 CG LYS A 57 18.820 -9.416 24.330 1.00 0.00 C ATOM 884 CD LYS A 57 17.730 -9.537 25.357 1.00 0.00 C ATOM 885 CE LYS A 57 17.905 -8.524 26.463 1.00 0.00 C ATOM 886 NZ LYS A 57 16.860 -8.654 27.489 1.00 0.00 N ATOM 0 H LYS A 57 16.509 -12.145 23.172 1.00 0.00 H new ATOM 0 HA LYS A 57 17.056 -9.377 22.333 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.804 -11.442 23.644 1.00 0.00 H new ATOM 0 HB3 LYS A 57 19.544 -10.312 22.528 1.00 0.00 H new ATOM 0 HG2 LYS A 57 19.787 -9.529 24.820 1.00 0.00 H new ATOM 0 HG3 LYS A 57 18.796 -8.415 23.899 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.760 -9.394 24.880 1.00 0.00 H new ATOM 0 HD3 LYS A 57 17.733 -10.543 25.778 1.00 0.00 H new ATOM 0 HE2 LYS A 57 18.885 -8.653 26.923 1.00 0.00 H new ATOM 0 HE3 LYS A 57 17.880 -7.518 26.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.174 -8.189 28.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.985 -8.203 27.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.681 -9.661 27.676 1.00 0.00 H new ATOM 900 N LEU A 58 18.027 -9.985 20.087 1.00 0.00 N ATOM 901 CA LEU A 58 18.385 -10.314 18.711 1.00 0.00 C ATOM 902 C LEU A 58 19.901 -10.213 18.533 1.00 0.00 C ATOM 903 O LEU A 58 20.507 -9.198 18.882 1.00 0.00 O ATOM 904 CB LEU A 58 17.694 -9.370 17.667 1.00 0.00 C ATOM 905 CG LEU A 58 16.147 -9.402 17.521 1.00 0.00 C ATOM 906 CD1 LEU A 58 15.654 -10.802 17.217 1.00 0.00 C ATOM 907 CD2 LEU A 58 15.445 -8.827 18.739 1.00 0.00 C ATOM 0 H LEU A 58 18.062 -8.988 20.298 1.00 0.00 H new ATOM 0 HA LEU A 58 18.038 -11.331 18.528 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.979 -8.347 17.911 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.120 -9.595 16.689 1.00 0.00 H new ATOM 0 HG LEU A 58 15.894 -8.763 16.675 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.568 -10.792 17.120 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.098 -11.150 16.284 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.940 -11.473 18.027 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.366 -8.870 18.591 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.714 -9.407 19.622 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.751 -7.790 18.879 1.00 0.00 H new ATOM 919 N ILE A 59 20.503 -11.262 18.032 1.00 0.00 N ATOM 920 CA ILE A 59 21.924 -11.277 17.721 1.00 0.00 C ATOM 921 C ILE A 59 22.114 -11.534 16.234 1.00 0.00 C ATOM 922 O ILE A 59 21.619 -12.532 15.692 1.00 0.00 O ATOM 923 CB ILE A 59 22.692 -12.353 18.555 1.00 0.00 C ATOM 924 CG1 ILE A 59 22.579 -12.043 20.058 1.00 0.00 C ATOM 925 CG2 ILE A 59 24.159 -12.436 18.128 1.00 0.00 C ATOM 926 CD1 ILE A 59 23.324 -13.014 20.956 1.00 0.00 C ATOM 0 H ILE A 59 20.025 -12.139 17.824 1.00 0.00 H new ATOM 0 HA ILE A 59 22.338 -10.304 17.986 1.00 0.00 H new ATOM 0 HB ILE A 59 22.234 -13.324 18.364 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.957 -11.037 20.239 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.526 -12.043 20.338 1.00 0.00 H new ATOM 0 HG21 ILE A 59 24.669 -13.192 18.724 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.216 -12.706 17.074 1.00 0.00 H new ATOM 0 HG23 ILE A 59 24.638 -11.469 18.281 1.00 0.00 H new ATOM 0 HD11 ILE A 59 23.191 -12.721 21.998 1.00 0.00 H new ATOM 0 HD12 ILE A 59 22.931 -14.020 20.809 1.00 0.00 H new ATOM 0 HD13 ILE A 59 24.385 -12.999 20.707 1.00 0.00 H new ATOM 938 N SER A 60 22.778 -10.620 15.575 1.00 0.00 N ATOM 939 CA SER A 60 23.054 -10.732 14.169 1.00 0.00 C ATOM 940 C SER A 60 24.548 -10.587 13.924 1.00 0.00 C ATOM 941 O SER A 60 25.150 -9.595 14.344 1.00 0.00 O ATOM 942 CB SER A 60 22.290 -9.657 13.420 1.00 0.00 C ATOM 943 OG SER A 60 20.912 -9.767 13.691 1.00 0.00 O ATOM 0 H SER A 60 23.145 -9.770 16.004 1.00 0.00 H new ATOM 0 HA SER A 60 22.736 -11.711 13.810 1.00 0.00 H new ATOM 0 HB2 SER A 60 22.649 -8.671 13.715 1.00 0.00 H new ATOM 0 HB3 SER A 60 22.467 -9.753 12.349 1.00 0.00 H new ATOM 0 HG SER A 60 20.409 -9.215 13.057 1.00 0.00 H new ATOM 949 N ALA A 61 25.148 -11.611 13.309 1.00 0.00 N ATOM 950 CA ALA A 61 26.582 -11.638 12.958 1.00 0.00 C ATOM 951 C ALA A 61 27.465 -11.612 14.207 1.00 0.00 C ATOM 952 O ALA A 61 28.672 -11.338 14.134 1.00 0.00 O ATOM 953 CB ALA A 61 26.939 -10.497 11.999 1.00 0.00 C ATOM 0 H ALA A 61 24.650 -12.458 13.035 1.00 0.00 H new ATOM 0 HA ALA A 61 26.776 -12.578 12.442 1.00 0.00 H new ATOM 0 HB1 ALA A 61 28.001 -10.543 11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 61 26.355 -10.595 11.084 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.715 -9.541 12.472 1.00 0.00 H new ATOM 959 N GLY A 62 26.874 -11.946 15.325 1.00 0.00 N ATOM 960 CA GLY A 62 27.583 -11.946 16.576 1.00 0.00 C ATOM 961 C GLY A 62 27.414 -10.651 17.345 1.00 0.00 C ATOM 962 O GLY A 62 28.084 -10.436 18.350 1.00 0.00 O ATOM 0 H GLY A 62 25.895 -12.224 15.393 1.00 0.00 H new ATOM 0 HA2 GLY A 62 27.231 -12.776 17.188 1.00 0.00 H new ATOM 0 HA3 GLY A 62 28.643 -12.116 16.388 1.00 0.00 H new ATOM 966 N LYS A 63 26.522 -9.785 16.885 1.00 0.00 N ATOM 967 CA LYS A 63 26.286 -8.543 17.524 1.00 0.00 C ATOM 968 C LYS A 63 24.999 -8.614 18.292 1.00 0.00 C ATOM 969 O LYS A 63 23.971 -9.009 17.731 1.00 0.00 O ATOM 970 CB LYS A 63 26.123 -7.445 16.487 1.00 0.00 C ATOM 971 CG LYS A 63 27.312 -7.156 15.596 1.00 0.00 C ATOM 972 CD LYS A 63 26.984 -5.975 14.690 1.00 0.00 C ATOM 973 CE LYS A 63 28.111 -5.635 13.735 1.00 0.00 C ATOM 974 NZ LYS A 63 28.388 -6.723 12.780 1.00 0.00 N ATOM 0 H LYS A 63 25.951 -9.945 16.055 1.00 0.00 H new ATOM 0 HA LYS A 63 27.129 -8.330 18.181 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.278 -7.705 15.850 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.859 -6.525 17.008 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.190 -6.932 16.202 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.554 -8.033 14.996 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.085 -6.201 14.117 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.759 -5.103 15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.856 -4.729 13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.014 -5.418 14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.082 -6.399 12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.771 -7.544 13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.507 -6.995 12.298 1.00 0.00 H new ATOM 988 N VAL A 64 25.033 -8.244 19.546 1.00 0.00 N ATOM 989 CA VAL A 64 23.818 -8.150 20.311 1.00 0.00 C ATOM 990 C VAL A 64 23.187 -6.830 19.927 1.00 0.00 C ATOM 991 O VAL A 64 23.766 -5.761 20.160 1.00 0.00 O ATOM 992 CB VAL A 64 24.077 -8.183 21.835 1.00 0.00 C ATOM 993 CG1 VAL A 64 22.765 -8.169 22.606 1.00 0.00 C ATOM 994 CG2 VAL A 64 24.915 -9.395 22.222 1.00 0.00 C ATOM 0 H VAL A 64 25.883 -8.004 20.056 1.00 0.00 H new ATOM 0 HA VAL A 64 23.173 -9.002 20.094 1.00 0.00 H new ATOM 0 HB VAL A 64 24.639 -7.287 22.099 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.971 -8.193 23.676 1.00 0.00 H new ATOM 0 HG12 VAL A 64 22.210 -7.263 22.364 1.00 0.00 H new ATOM 0 HG13 VAL A 64 22.172 -9.042 22.331 1.00 0.00 H new ATOM 0 HG21 VAL A 64 25.082 -9.393 23.299 1.00 0.00 H new ATOM 0 HG22 VAL A 64 24.389 -10.307 21.938 1.00 0.00 H new ATOM 0 HG23 VAL A 64 25.874 -9.354 21.706 1.00 0.00 H new ATOM 1004 N LEU A 65 22.051 -6.898 19.312 1.00 0.00 N ATOM 1005 CA LEU A 65 21.439 -5.745 18.755 1.00 0.00 C ATOM 1006 C LEU A 65 20.754 -4.887 19.791 1.00 0.00 C ATOM 1007 O LEU A 65 19.987 -5.372 20.630 1.00 0.00 O ATOM 1008 CB LEU A 65 20.444 -6.139 17.674 1.00 0.00 C ATOM 1009 CG LEU A 65 20.972 -7.013 16.534 1.00 0.00 C ATOM 1010 CD1 LEU A 65 19.883 -7.265 15.515 1.00 0.00 C ATOM 1011 CD2 LEU A 65 22.192 -6.400 15.872 1.00 0.00 C ATOM 0 H LEU A 65 21.522 -7.761 19.184 1.00 0.00 H new ATOM 0 HA LEU A 65 22.241 -5.149 18.319 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.616 -6.665 18.150 1.00 0.00 H new ATOM 0 HB3 LEU A 65 20.035 -5.227 17.241 1.00 0.00 H new ATOM 0 HG LEU A 65 21.280 -7.966 16.964 1.00 0.00 H new ATOM 0 HD11 LEU A 65 20.274 -7.888 14.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.047 -7.774 15.994 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.542 -6.315 15.105 1.00 0.00 H new ATOM 0 HD21 LEU A 65 22.536 -7.051 15.068 1.00 0.00 H new ATOM 0 HD22 LEU A 65 21.932 -5.424 15.462 1.00 0.00 H new ATOM 0 HD23 LEU A 65 22.986 -6.284 16.609 1.00 0.00 H new ATOM 1023 N GLU A 66 21.050 -3.631 19.726 1.00 0.00 N ATOM 1024 CA GLU A 66 20.398 -2.615 20.495 1.00 0.00 C ATOM 1025 C GLU A 66 19.088 -2.307 19.806 1.00 0.00 C ATOM 1026 O GLU A 66 19.067 -2.042 18.593 1.00 0.00 O ATOM 1027 CB GLU A 66 21.304 -1.370 20.549 1.00 0.00 C ATOM 1028 CG GLU A 66 20.663 -0.094 21.084 1.00 0.00 C ATOM 1029 CD GLU A 66 20.074 -0.230 22.461 1.00 0.00 C ATOM 1030 OE1 GLU A 66 20.839 -0.263 23.439 1.00 0.00 O ATOM 1031 OE2 GLU A 66 18.826 -0.289 22.576 1.00 0.00 O ATOM 0 H GLU A 66 21.780 -3.267 19.113 1.00 0.00 H new ATOM 0 HA GLU A 66 20.209 -2.938 21.519 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.171 -1.603 21.167 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.674 -1.172 19.543 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.413 0.697 21.098 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.879 0.222 20.395 1.00 0.00 H new ATOM 1038 N ASN A 67 18.005 -2.348 20.548 1.00 0.00 N ATOM 1039 CA ASN A 67 16.693 -2.129 19.973 1.00 0.00 C ATOM 1040 C ASN A 67 16.541 -0.692 19.499 1.00 0.00 C ATOM 1041 O ASN A 67 15.788 -0.411 18.571 1.00 0.00 O ATOM 1042 CB ASN A 67 15.550 -2.523 20.937 1.00 0.00 C ATOM 1043 CG ASN A 67 15.422 -1.642 22.163 1.00 0.00 C ATOM 1044 OD1 ASN A 67 16.046 -1.892 23.185 1.00 0.00 O ATOM 1045 ND2 ASN A 67 14.580 -0.649 22.084 1.00 0.00 N ATOM 0 H ASN A 67 18.004 -2.531 21.551 1.00 0.00 H new ATOM 0 HA ASN A 67 16.612 -2.787 19.108 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.608 -2.500 20.390 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.705 -3.552 21.261 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.423 -0.048 22.893 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.079 -0.473 21.213 1.00 0.00 H new ATOM 1052 N SER A 68 17.310 0.201 20.110 1.00 0.00 N ATOM 1053 CA SER A 68 17.258 1.624 19.802 1.00 0.00 C ATOM 1054 C SER A 68 17.922 1.955 18.435 1.00 0.00 C ATOM 1055 O SER A 68 17.962 3.112 18.012 1.00 0.00 O ATOM 1056 CB SER A 68 17.931 2.408 20.927 1.00 0.00 C ATOM 1057 OG SER A 68 17.411 2.021 22.206 1.00 0.00 O ATOM 0 H SER A 68 17.987 -0.041 20.833 1.00 0.00 H new ATOM 0 HA SER A 68 16.211 1.915 19.722 1.00 0.00 H new ATOM 0 HB2 SER A 68 19.007 2.237 20.901 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.774 3.476 20.775 1.00 0.00 H new ATOM 0 HG SER A 68 17.770 1.143 22.453 1.00 0.00 H new ATOM 1063 N LYS A 69 18.434 0.951 17.771 1.00 0.00 N ATOM 1064 CA LYS A 69 19.043 1.103 16.487 1.00 0.00 C ATOM 1065 C LYS A 69 18.241 0.389 15.421 1.00 0.00 C ATOM 1066 O LYS A 69 17.343 -0.405 15.730 1.00 0.00 O ATOM 1067 CB LYS A 69 20.467 0.598 16.495 1.00 0.00 C ATOM 1068 CG LYS A 69 21.462 1.474 17.235 1.00 0.00 C ATOM 1069 CD LYS A 69 22.854 0.863 17.184 1.00 0.00 C ATOM 1070 CE LYS A 69 23.905 1.785 17.776 1.00 0.00 C ATOM 1071 NZ LYS A 69 23.612 2.161 19.169 1.00 0.00 N ATOM 0 H LYS A 69 18.436 -0.008 18.118 1.00 0.00 H new ATOM 0 HA LYS A 69 19.059 2.168 16.255 1.00 0.00 H new ATOM 0 HB2 LYS A 69 20.480 -0.396 16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 69 20.802 0.488 15.464 1.00 0.00 H new ATOM 0 HG2 LYS A 69 21.479 2.469 16.791 1.00 0.00 H new ATOM 0 HG3 LYS A 69 21.149 1.593 18.272 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.855 -0.082 17.727 1.00 0.00 H new ATOM 0 HD3 LYS A 69 23.112 0.637 16.150 1.00 0.00 H new ATOM 0 HE2 LYS A 69 24.878 1.295 17.733 1.00 0.00 H new ATOM 0 HE3 LYS A 69 23.975 2.687 17.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 24.416 2.691 19.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 22.759 2.755 19.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 23.454 1.303 19.734 1.00 0.00 H new ATOM 1085 N THR A 70 18.539 0.675 14.179 1.00 0.00 N ATOM 1086 CA THR A 70 17.884 0.056 13.098 1.00 0.00 C ATOM 1087 C THR A 70 18.790 -1.015 12.545 1.00 0.00 C ATOM 1088 O THR A 70 19.973 -1.041 12.889 1.00 0.00 O ATOM 1089 CB THR A 70 17.544 1.082 11.994 1.00 0.00 C ATOM 1090 OG1 THR A 70 18.728 1.735 11.495 1.00 0.00 O ATOM 1091 CG2 THR A 70 16.555 2.119 12.487 1.00 0.00 C ATOM 0 H THR A 70 19.252 1.352 13.907 1.00 0.00 H new ATOM 0 HA THR A 70 16.947 -0.380 13.445 1.00 0.00 H new ATOM 0 HB THR A 70 17.086 0.525 11.177 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.195 2.176 12.235 1.00 0.00 H new ATOM 0 HG21 THR A 70 16.338 2.825 11.685 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.633 1.625 12.795 1.00 0.00 H new ATOM 0 HG23 THR A 70 16.981 2.654 13.336 1.00 0.00 H new ATOM 1099 N VAL A 71 18.268 -1.891 11.701 1.00 0.00 N ATOM 1100 CA VAL A 71 19.093 -2.943 11.105 1.00 0.00 C ATOM 1101 C VAL A 71 20.207 -2.285 10.272 1.00 0.00 C ATOM 1102 O VAL A 71 21.360 -2.747 10.250 1.00 0.00 O ATOM 1103 CB VAL A 71 18.245 -3.897 10.215 1.00 0.00 C ATOM 1104 CG1 VAL A 71 19.094 -5.037 9.671 1.00 0.00 C ATOM 1105 CG2 VAL A 71 17.054 -4.445 10.990 1.00 0.00 C ATOM 0 H VAL A 71 17.290 -1.900 11.413 1.00 0.00 H new ATOM 0 HA VAL A 71 19.528 -3.545 11.903 1.00 0.00 H new ATOM 0 HB VAL A 71 17.871 -3.318 9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 71 18.476 -5.688 9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 71 19.907 -4.630 9.070 1.00 0.00 H new ATOM 0 HG13 VAL A 71 19.508 -5.610 10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.476 -5.109 10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 71 17.409 -4.999 11.859 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.423 -3.619 11.319 1.00 0.00 H new ATOM 1115 N LYS A 72 19.841 -1.165 9.653 1.00 0.00 N ATOM 1116 CA LYS A 72 20.709 -0.331 8.840 1.00 0.00 C ATOM 1117 C LYS A 72 21.989 0.042 9.591 1.00 0.00 C ATOM 1118 O LYS A 72 23.075 0.078 9.012 1.00 0.00 O ATOM 1119 CB LYS A 72 19.949 0.938 8.477 1.00 0.00 C ATOM 1120 CG LYS A 72 20.639 1.931 7.518 1.00 0.00 C ATOM 1121 CD LYS A 72 20.878 1.370 6.110 1.00 0.00 C ATOM 1122 CE LYS A 72 22.120 0.499 6.008 1.00 0.00 C ATOM 1123 NZ LYS A 72 22.144 -0.243 4.746 1.00 0.00 N ATOM 0 H LYS A 72 18.889 -0.802 9.710 1.00 0.00 H new ATOM 0 HA LYS A 72 20.995 -0.885 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.998 0.645 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.718 1.468 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 72 20.029 2.831 7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.595 2.230 7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.009 0.786 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.966 2.199 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 72 23.011 1.122 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.147 -0.200 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 23.068 -0.708 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.393 -0.962 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.989 0.413 3.954 1.00 0.00 H new ATOM 1137 N ASP A 73 21.856 0.271 10.885 1.00 0.00 N ATOM 1138 CA ASP A 73 22.953 0.671 11.737 1.00 0.00 C ATOM 1139 C ASP A 73 24.044 -0.390 11.837 1.00 0.00 C ATOM 1140 O ASP A 73 25.221 -0.062 12.012 1.00 0.00 O ATOM 1141 CB ASP A 73 22.439 1.036 13.136 1.00 0.00 C ATOM 1142 CG ASP A 73 21.716 2.354 13.198 1.00 0.00 C ATOM 1143 OD1 ASP A 73 22.383 3.402 13.194 1.00 0.00 O ATOM 1144 OD2 ASP A 73 20.470 2.370 13.262 1.00 0.00 O ATOM 0 H ASP A 73 20.967 0.182 11.378 1.00 0.00 H new ATOM 0 HA ASP A 73 23.405 1.548 11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.769 0.249 13.482 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.282 1.063 13.826 1.00 0.00 H new ATOM 1149 N TYR A 74 23.666 -1.646 11.695 1.00 0.00 N ATOM 1150 CA TYR A 74 24.594 -2.748 11.844 1.00 0.00 C ATOM 1151 C TYR A 74 25.083 -3.226 10.492 1.00 0.00 C ATOM 1152 O TYR A 74 25.933 -4.124 10.397 1.00 0.00 O ATOM 1153 CB TYR A 74 23.901 -3.893 12.561 1.00 0.00 C ATOM 1154 CG TYR A 74 23.308 -3.484 13.874 1.00 0.00 C ATOM 1155 CD1 TYR A 74 24.076 -3.428 15.023 1.00 0.00 C ATOM 1156 CD2 TYR A 74 21.975 -3.133 13.958 1.00 0.00 C ATOM 1157 CE1 TYR A 74 23.523 -3.033 16.218 1.00 0.00 C ATOM 1158 CE2 TYR A 74 21.421 -2.733 15.142 1.00 0.00 C ATOM 1159 CZ TYR A 74 22.194 -2.684 16.265 1.00 0.00 C ATOM 1160 OH TYR A 74 21.639 -2.286 17.441 1.00 0.00 O ATOM 0 H TYR A 74 22.711 -1.929 11.474 1.00 0.00 H new ATOM 0 HA TYR A 74 25.452 -2.406 12.423 1.00 0.00 H new ATOM 0 HB2 TYR A 74 23.114 -4.293 11.921 1.00 0.00 H new ATOM 0 HB3 TYR A 74 24.617 -4.698 12.726 1.00 0.00 H new ATOM 0 HD1 TYR A 74 25.121 -3.697 14.981 1.00 0.00 H new ATOM 0 HD2 TYR A 74 21.359 -3.175 13.072 1.00 0.00 H new ATOM 0 HE1 TYR A 74 24.127 -2.997 17.112 1.00 0.00 H new ATOM 0 HE2 TYR A 74 20.378 -2.457 15.188 1.00 0.00 H new ATOM 0 HH TYR A 74 20.677 -2.471 17.428 1.00 0.00 H new ATOM 1170 N ARG A 75 24.547 -2.641 9.456 1.00 0.00 N ATOM 1171 CA ARG A 75 24.873 -2.993 8.132 1.00 0.00 C ATOM 1172 C ARG A 75 26.085 -2.251 7.655 1.00 0.00 C ATOM 1173 O ARG A 75 26.304 -1.093 8.014 1.00 0.00 O ATOM 1174 CB ARG A 75 23.736 -2.621 7.231 1.00 0.00 C ATOM 1175 CG ARG A 75 22.458 -3.389 7.411 1.00 0.00 C ATOM 1176 CD ARG A 75 22.612 -4.853 7.074 1.00 0.00 C ATOM 1177 NE ARG A 75 21.317 -5.522 7.056 1.00 0.00 N ATOM 1178 CZ ARG A 75 21.126 -6.836 6.993 1.00 0.00 C ATOM 1179 NH1 ARG A 75 22.163 -7.654 6.941 1.00 0.00 N ATOM 1180 NH2 ARG A 75 19.891 -7.325 6.971 1.00 0.00 N ATOM 0 H ARG A 75 23.858 -1.892 9.527 1.00 0.00 H new ATOM 0 HA ARG A 75 25.070 -4.065 8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 75 23.520 -1.562 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 75 24.065 -2.743 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.121 -3.290 8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.684 -2.953 6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 75 23.093 -4.958 6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 75 23.263 -5.332 7.805 1.00 0.00 H new ATOM 0 HE ARG A 75 20.486 -4.931 7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 75 23.111 -7.277 6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 75 22.015 -8.662 6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.091 -6.692 7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.742 -8.333 6.923 1.00 0.00 H new ATOM 1306 N VAL A 85 18.014 -12.950 3.010 1.00 0.00 N ATOM 1307 CA VAL A 85 17.551 -13.496 4.258 1.00 0.00 C ATOM 1308 C VAL A 85 18.548 -13.227 5.361 1.00 0.00 C ATOM 1309 O VAL A 85 19.716 -13.605 5.279 1.00 0.00 O ATOM 1310 CB VAL A 85 17.291 -15.020 4.169 1.00 0.00 C ATOM 1311 CG1 VAL A 85 16.697 -15.563 5.470 1.00 0.00 C ATOM 1312 CG2 VAL A 85 16.408 -15.364 2.978 1.00 0.00 C ATOM 0 HA VAL A 85 16.607 -13.001 4.484 1.00 0.00 H new ATOM 0 HB VAL A 85 18.255 -15.506 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.527 -16.635 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.390 -15.378 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.750 -15.063 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.245 -16.441 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.449 -14.855 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.896 -15.042 2.058 1.00 0.00 H new ATOM 1322 N THR A 86 18.089 -12.581 6.366 1.00 0.00 N ATOM 1323 CA THR A 86 18.870 -12.274 7.511 1.00 0.00 C ATOM 1324 C THR A 86 18.355 -13.114 8.673 1.00 0.00 C ATOM 1325 O THR A 86 17.189 -13.001 9.072 1.00 0.00 O ATOM 1326 CB THR A 86 18.777 -10.765 7.849 1.00 0.00 C ATOM 1327 OG1 THR A 86 19.207 -9.990 6.708 1.00 0.00 O ATOM 1328 CG2 THR A 86 19.650 -10.415 9.052 1.00 0.00 C ATOM 0 H THR A 86 17.130 -12.239 6.420 1.00 0.00 H new ATOM 0 HA THR A 86 19.918 -12.502 7.318 1.00 0.00 H new ATOM 0 HB THR A 86 17.741 -10.533 8.094 1.00 0.00 H new ATOM 0 HG1 THR A 86 18.435 -9.533 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.565 -9.350 9.266 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.320 -10.987 9.919 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.689 -10.658 8.831 1.00 0.00 H new ATOM 1336 N THR A 87 19.185 -13.970 9.176 1.00 0.00 N ATOM 1337 CA THR A 87 18.806 -14.821 10.248 1.00 0.00 C ATOM 1338 C THR A 87 19.273 -14.208 11.562 1.00 0.00 C ATOM 1339 O THR A 87 20.471 -14.024 11.781 1.00 0.00 O ATOM 1340 CB THR A 87 19.453 -16.210 10.059 1.00 0.00 C ATOM 1341 OG1 THR A 87 19.107 -16.715 8.756 1.00 0.00 O ATOM 1342 CG2 THR A 87 18.966 -17.191 11.118 1.00 0.00 C ATOM 0 H THR A 87 20.144 -14.096 8.852 1.00 0.00 H new ATOM 0 HA THR A 87 17.722 -14.932 10.264 1.00 0.00 H new ATOM 0 HB THR A 87 20.534 -16.105 10.156 1.00 0.00 H new ATOM 0 HG1 THR A 87 19.516 -17.596 8.628 1.00 0.00 H new ATOM 0 HG21 THR A 87 19.438 -18.161 10.960 1.00 0.00 H new ATOM 0 HG22 THR A 87 19.227 -16.817 12.108 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.884 -17.298 11.045 1.00 0.00 H new ATOM 1350 N MET A 88 18.348 -13.884 12.422 1.00 0.00 N ATOM 1351 CA MET A 88 18.697 -13.327 13.702 1.00 0.00 C ATOM 1352 C MET A 88 18.611 -14.382 14.749 1.00 0.00 C ATOM 1353 O MET A 88 17.619 -15.101 14.833 1.00 0.00 O ATOM 1354 CB MET A 88 17.825 -12.123 14.070 1.00 0.00 C ATOM 1355 CG MET A 88 18.033 -10.920 13.172 1.00 0.00 C ATOM 1356 SD MET A 88 17.048 -9.498 13.666 1.00 0.00 S ATOM 1357 CE MET A 88 17.626 -8.277 12.492 1.00 0.00 C ATOM 0 H MET A 88 17.347 -13.995 12.261 1.00 0.00 H new ATOM 0 HA MET A 88 19.722 -12.962 13.638 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.777 -12.419 14.028 1.00 0.00 H new ATOM 0 HB3 MET A 88 18.034 -11.836 15.101 1.00 0.00 H new ATOM 0 HG2 MET A 88 19.088 -10.645 13.180 1.00 0.00 H new ATOM 0 HG3 MET A 88 17.782 -11.191 12.146 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.931 -7.438 12.468 1.00 0.00 H new ATOM 0 HE2 MET A 88 18.613 -7.923 12.791 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.687 -8.726 11.501 1.00 0.00 H new ATOM 1367 N HIS A 89 19.648 -14.502 15.526 1.00 0.00 N ATOM 1368 CA HIS A 89 19.685 -15.484 16.574 1.00 0.00 C ATOM 1369 C HIS A 89 19.072 -14.881 17.800 1.00 0.00 C ATOM 1370 O HIS A 89 19.496 -13.823 18.254 1.00 0.00 O ATOM 1371 CB HIS A 89 21.120 -15.965 16.846 1.00 0.00 C ATOM 1372 CG HIS A 89 21.756 -16.673 15.677 1.00 0.00 C ATOM 1373 ND1 HIS A 89 21.919 -18.039 15.619 1.00 0.00 N ATOM 1374 CD2 HIS A 89 22.273 -16.192 14.519 1.00 0.00 C ATOM 1375 CE1 HIS A 89 22.500 -18.364 14.488 1.00 0.00 C ATOM 1376 NE2 HIS A 89 22.725 -17.264 13.800 1.00 0.00 N ATOM 0 H HIS A 89 20.487 -13.927 15.453 1.00 0.00 H new ATOM 0 HA HIS A 89 19.118 -16.364 16.271 1.00 0.00 H new ATOM 0 HB2 HIS A 89 21.735 -15.107 17.118 1.00 0.00 H new ATOM 0 HB3 HIS A 89 21.112 -16.636 17.705 1.00 0.00 H new ATOM 0 HD2 HIS A 89 22.319 -15.155 14.220 1.00 0.00 H new ATOM 0 HE1 HIS A 89 22.752 -19.366 14.174 1.00 0.00 H new ATOM 0 HE2 HIS A 89 23.165 -17.219 12.881 1.00 0.00 H new ATOM 1385 N VAL A 90 18.075 -15.523 18.306 1.00 0.00 N ATOM 1386 CA VAL A 90 17.330 -15.003 19.411 1.00 0.00 C ATOM 1387 C VAL A 90 17.675 -15.733 20.672 1.00 0.00 C ATOM 1388 O VAL A 90 17.508 -16.960 20.784 1.00 0.00 O ATOM 1389 CB VAL A 90 15.811 -15.090 19.157 1.00 0.00 C ATOM 1390 CG1 VAL A 90 15.035 -14.435 20.273 1.00 0.00 C ATOM 1391 CG2 VAL A 90 15.437 -14.491 17.807 1.00 0.00 C ATOM 0 H VAL A 90 17.749 -16.428 17.966 1.00 0.00 H new ATOM 0 HA VAL A 90 17.600 -13.953 19.521 1.00 0.00 H new ATOM 0 HB VAL A 90 15.542 -16.146 19.135 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.967 -14.511 20.067 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.260 -14.935 21.215 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.317 -13.384 20.344 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.360 -14.569 17.660 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.732 -13.442 17.780 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.951 -15.033 17.013 1.00 0.00 H new ATOM 1401 N ILE A 91 18.146 -14.976 21.599 1.00 0.00 N ATOM 1402 CA ILE A 91 18.519 -15.446 22.890 1.00 0.00 C ATOM 1403 C ILE A 91 17.404 -15.128 23.856 1.00 0.00 C ATOM 1404 O ILE A 91 16.963 -13.972 23.962 1.00 0.00 O ATOM 1405 CB ILE A 91 19.833 -14.780 23.327 1.00 0.00 C ATOM 1406 CG1 ILE A 91 20.996 -15.213 22.413 1.00 0.00 C ATOM 1407 CG2 ILE A 91 20.160 -15.044 24.800 1.00 0.00 C ATOM 1408 CD1 ILE A 91 21.275 -16.710 22.401 1.00 0.00 C ATOM 0 H ILE A 91 18.288 -13.973 21.476 1.00 0.00 H new ATOM 0 HA ILE A 91 18.680 -16.524 22.870 1.00 0.00 H new ATOM 0 HB ILE A 91 19.696 -13.703 23.225 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.779 -14.890 21.395 1.00 0.00 H new ATOM 0 HG13 ILE A 91 21.900 -14.692 22.727 1.00 0.00 H new ATOM 0 HG21 ILE A 91 21.098 -14.552 25.058 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.359 -14.651 25.427 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.256 -16.117 24.965 1.00 0.00 H new ATOM 0 HD11 ILE A 91 22.109 -16.919 21.731 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.527 -17.041 23.408 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.389 -17.242 22.055 1.00 0.00 H new ATOM 1420 N ILE A 92 16.953 -16.144 24.537 1.00 0.00 N ATOM 1421 CA ILE A 92 15.823 -16.047 25.416 1.00 0.00 C ATOM 1422 C ILE A 92 16.272 -16.094 26.877 1.00 0.00 C ATOM 1423 O ILE A 92 17.058 -16.960 27.268 1.00 0.00 O ATOM 1424 CB ILE A 92 14.836 -17.224 25.158 1.00 0.00 C ATOM 1425 CG1 ILE A 92 14.351 -17.269 23.685 1.00 0.00 C ATOM 1426 CG2 ILE A 92 13.656 -17.166 26.108 1.00 0.00 C ATOM 1427 CD1 ILE A 92 13.614 -16.026 23.205 1.00 0.00 C ATOM 0 H ILE A 92 17.366 -17.076 24.496 1.00 0.00 H new ATOM 0 HA ILE A 92 15.325 -15.097 25.219 1.00 0.00 H new ATOM 0 HB ILE A 92 15.387 -18.145 25.347 1.00 0.00 H new ATOM 0 HG12 ILE A 92 15.215 -17.431 23.040 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.695 -18.131 23.562 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.984 -18.000 25.905 1.00 0.00 H new ATOM 0 HG22 ILE A 92 14.013 -17.230 27.136 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.122 -16.226 25.967 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.318 -16.158 22.164 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.726 -15.870 23.818 1.00 0.00 H new ATOM 0 HD13 ILE A 92 14.270 -15.159 23.288 1.00 0.00 H new ATOM 1439 N GLN A 93 15.796 -15.164 27.655 1.00 0.00 N ATOM 1440 CA GLN A 93 16.040 -15.140 29.050 1.00 0.00 C ATOM 1441 C GLN A 93 14.907 -15.829 29.715 1.00 0.00 C ATOM 1442 O GLN A 93 13.767 -15.703 29.283 1.00 0.00 O ATOM 1443 CB GLN A 93 16.164 -13.717 29.645 1.00 0.00 C ATOM 1444 CG GLN A 93 17.368 -12.882 29.217 1.00 0.00 C ATOM 1445 CD GLN A 93 17.350 -12.476 27.774 1.00 0.00 C ATOM 1446 OE1 GLN A 93 16.807 -11.444 27.434 1.00 0.00 O ATOM 1447 NE2 GLN A 93 17.976 -13.250 26.931 1.00 0.00 N ATOM 0 H GLN A 93 15.218 -14.392 27.322 1.00 0.00 H new ATOM 0 HA GLN A 93 16.998 -15.631 29.220 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.261 -13.164 29.387 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.184 -13.806 30.731 1.00 0.00 H new ATOM 0 HG2 GLN A 93 17.413 -11.985 29.835 1.00 0.00 H new ATOM 0 HG3 GLN A 93 18.278 -13.449 29.412 1.00 0.00 H new ATOM 0 HE21 GLN A 93 18.419 -14.108 27.259 1.00 0.00 H new ATOM 0 HE22 GLN A 93 18.023 -12.997 25.944 1.00 0.00 H new ATOM 1456 N ALA A 94 15.214 -16.584 30.696 1.00 0.00 N ATOM 1457 CA ALA A 94 14.201 -17.245 31.497 1.00 0.00 C ATOM 1458 C ALA A 94 13.352 -16.168 32.177 1.00 0.00 C ATOM 1459 O ALA A 94 13.887 -15.340 32.941 1.00 0.00 O ATOM 1460 CB ALA A 94 14.851 -18.144 32.541 1.00 0.00 C ATOM 0 H ALA A 94 16.172 -16.777 30.987 1.00 0.00 H new ATOM 0 HA ALA A 94 13.574 -17.871 30.862 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.077 -18.632 33.133 1.00 0.00 H new ATOM 0 HB2 ALA A 94 15.458 -18.900 32.043 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.484 -17.544 33.195 1.00 0.00 H new