USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 689 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 29 LYS NZ :NH3+ 156:sc= -0.139 (180deg=-0.653) USER MOD Set 1.2: A 74 CYS SG : rot -21:sc= -1.08 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= -0.0039 (180deg=-0.0518) USER MOD Single : A 10 MET CE :methyl -130:sc= -5.21! (180deg=-9.7!) USER MOD Single : A 11 SER OG : rot 80:sc= 0.953 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 0.177 (180deg=-0.192) USER MOD Single : A 17 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.88) USER MOD Single : A 19 SER OG : rot 73:sc= 0.939 USER MOD Single : A 23 ASN : amide:sc= -3.01! C(o=-3!,f=-9.5!) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0144) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.717 K(o=-0.72,f=-2!) USER MOD Single : A 39 SER OG : rot -31:sc= 1.07 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.905 K(o=-0.9,f=-2!) USER MOD Single : A 58 THR OG1 : rot -16:sc= -0.872! USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 2.17 (180deg=2.02) USER MOD Single : A 62 SER OG : rot -140:sc= 0.0236 USER MOD Single : A 63 THR OG1 : rot 150:sc= 1.32 USER MOD Single : A 70 TYR OH : rot -27:sc= 0.861 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 73 SER OG : rot -50:sc= 1.28 USER MOD Single : B 203 THR OG1 : rot 180:sc= -0.0551 USER MOD Single : B 208 LYS NZ :NH3+ 165:sc= -0.0328 (180deg=-0.26) USER MOD Single : B 210 LYS NZ :NH3+ -169:sc=-0.00464 (180deg=-0.117) USER MOD Single : B 211 TYR OH : rot 100:sc= 0.0262 USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -14.863 5.903 -3.204 1.00 0.00 N ATOM 105 CA LYS A 8 -14.681 5.709 -4.633 1.00 0.00 C ATOM 106 C LYS A 8 -13.502 4.782 -4.927 1.00 0.00 C ATOM 107 O LYS A 8 -12.517 4.747 -4.187 1.00 0.00 O ATOM 108 CB LYS A 8 -14.493 7.054 -5.325 1.00 0.00 C ATOM 109 CG LYS A 8 -13.207 7.768 -4.980 1.00 0.00 C ATOM 110 CD LYS A 8 -13.001 8.932 -5.917 1.00 0.00 C ATOM 111 CE LYS A 8 -11.646 9.591 -5.718 1.00 0.00 C ATOM 112 NZ LYS A 8 -11.480 10.125 -4.340 1.00 0.00 N ATOM 0 HA LYS A 8 -15.579 5.232 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.529 6.900 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.332 7.700 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.242 8.121 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.366 7.078 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.089 8.588 -6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.789 9.668 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.858 8.867 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.529 10.402 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.578 10.639 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.265 10.772 -4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.481 9.338 -3.660 1.00 0.00 H new ATOM 126 N PRO A 9 -13.596 4.022 -6.027 1.00 0.00 N ATOM 127 CA PRO A 9 -12.588 3.026 -6.397 1.00 0.00 C ATOM 128 C PRO A 9 -11.280 3.656 -6.852 1.00 0.00 C ATOM 129 O PRO A 9 -11.264 4.728 -7.458 1.00 0.00 O ATOM 130 CB PRO A 9 -13.250 2.257 -7.543 1.00 0.00 C ATOM 131 CG PRO A 9 -14.220 3.217 -8.138 1.00 0.00 C ATOM 132 CD PRO A 9 -14.692 4.092 -7.009 1.00 0.00 C ATOM 0 HA PRO A 9 -12.310 2.397 -5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.514 1.932 -8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.753 1.361 -7.179 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.749 3.812 -8.920 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.056 2.690 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.866 5.115 -7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.630 3.730 -6.588 1.00 0.00 H new ATOM 140 N MET A 10 -10.187 2.987 -6.526 1.00 0.00 N ATOM 141 CA MET A 10 -8.865 3.444 -6.897 1.00 0.00 C ATOM 142 C MET A 10 -8.534 3.003 -8.324 1.00 0.00 C ATOM 143 O MET A 10 -8.435 1.806 -8.602 1.00 0.00 O ATOM 144 CB MET A 10 -7.824 2.907 -5.916 1.00 0.00 C ATOM 145 CG MET A 10 -6.476 3.582 -6.072 1.00 0.00 C ATOM 146 SD MET A 10 -6.451 5.270 -5.441 1.00 0.00 S ATOM 147 CE MET A 10 -5.936 5.017 -3.751 1.00 0.00 C ATOM 0 H MET A 10 -10.194 2.114 -5.998 1.00 0.00 H new ATOM 0 HA MET A 10 -8.847 4.533 -6.858 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.182 3.050 -4.897 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.709 1.833 -6.065 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.720 2.995 -5.551 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.201 3.591 -7.127 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.614 5.546 -3.081 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.955 3.952 -3.520 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.924 5.399 -3.618 1.00 0.00 H new ATOM 157 N SER A 11 -8.372 3.969 -9.222 1.00 0.00 N ATOM 158 CA SER A 11 -8.123 3.682 -10.636 1.00 0.00 C ATOM 159 C SER A 11 -6.713 3.124 -10.843 1.00 0.00 C ATOM 160 O SER A 11 -5.917 3.091 -9.907 1.00 0.00 O ATOM 161 CB SER A 11 -8.306 4.954 -11.467 1.00 0.00 C ATOM 162 OG SER A 11 -9.504 5.627 -11.109 1.00 0.00 O ATOM 0 H SER A 11 -8.408 4.963 -8.997 1.00 0.00 H new ATOM 0 HA SER A 11 -8.841 2.929 -10.963 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.454 5.617 -11.317 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.330 4.700 -12.527 1.00 0.00 H new ATOM 0 HG SER A 11 -9.358 6.139 -10.286 1.00 0.00 H new ATOM 168 N TYR A 12 -6.407 2.696 -12.066 1.00 0.00 N ATOM 169 CA TYR A 12 -5.099 2.111 -12.381 1.00 0.00 C ATOM 170 C TYR A 12 -3.953 3.044 -12.007 1.00 0.00 C ATOM 171 O TYR A 12 -3.089 2.683 -11.207 1.00 0.00 O ATOM 172 CB TYR A 12 -5.006 1.750 -13.872 1.00 0.00 C ATOM 173 CG TYR A 12 -3.579 1.580 -14.366 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.673 0.785 -13.677 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.138 2.232 -15.509 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.370 0.646 -14.106 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.837 2.094 -15.951 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.956 1.303 -15.246 1.00 0.00 C ATOM 179 OH TYR A 12 0.343 1.175 -15.684 1.00 0.00 O ATOM 0 H TYR A 12 -7.047 2.742 -12.859 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.006 1.203 -11.784 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.556 0.826 -14.049 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.495 2.529 -14.458 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.995 0.265 -12.787 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.823 2.857 -16.062 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.679 0.027 -13.553 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.511 2.604 -16.846 1.00 0.00 H new ATOM 0 HH TYR A 12 0.466 1.702 -16.501 1.00 0.00 H new ATOM 189 N GLU A 13 -3.944 4.234 -12.590 1.00 0.00 N ATOM 190 CA GLU A 13 -2.860 5.181 -12.370 1.00 0.00 C ATOM 191 C GLU A 13 -2.773 5.579 -10.905 1.00 0.00 C ATOM 192 O GLU A 13 -1.727 6.023 -10.433 1.00 0.00 O ATOM 193 CB GLU A 13 -3.048 6.409 -13.254 1.00 0.00 C ATOM 194 CG GLU A 13 -2.986 6.082 -14.735 1.00 0.00 C ATOM 195 CD GLU A 13 -3.250 7.287 -15.606 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.276 7.941 -16.035 1.00 0.00 O ATOM 197 OE2 GLU A 13 -4.430 7.590 -15.868 1.00 0.00 O ATOM 0 H GLU A 13 -4.675 4.567 -13.219 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.921 4.698 -12.640 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.010 6.870 -13.028 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.279 7.144 -13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.003 5.674 -14.973 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.717 5.306 -14.963 1.00 0.00 H new ATOM 204 N GLU A 14 -3.863 5.383 -10.181 1.00 0.00 N ATOM 205 CA GLU A 14 -3.880 5.656 -8.765 1.00 0.00 C ATOM 206 C GLU A 14 -3.278 4.480 -8.016 1.00 0.00 C ATOM 207 O GLU A 14 -2.467 4.661 -7.121 1.00 0.00 O ATOM 208 CB GLU A 14 -5.306 5.895 -8.285 1.00 0.00 C ATOM 209 CG GLU A 14 -5.966 7.153 -8.814 1.00 0.00 C ATOM 210 CD GLU A 14 -7.382 7.313 -8.296 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.304 6.687 -8.860 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.585 8.067 -7.318 1.00 0.00 O ATOM 0 H GLU A 14 -4.745 5.035 -10.557 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.293 6.554 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.916 5.038 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.303 5.937 -7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.374 8.022 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.980 7.124 -9.904 1.00 0.00 H new ATOM 219 N LYS A 15 -3.705 3.278 -8.390 1.00 0.00 N ATOM 220 CA LYS A 15 -3.149 2.049 -7.866 1.00 0.00 C ATOM 221 C LYS A 15 -1.643 1.979 -8.045 1.00 0.00 C ATOM 222 O LYS A 15 -0.909 1.720 -7.090 1.00 0.00 O ATOM 223 CB LYS A 15 -3.791 0.848 -8.549 1.00 0.00 C ATOM 224 CG LYS A 15 -5.191 0.541 -8.056 1.00 0.00 C ATOM 225 CD LYS A 15 -5.589 -0.877 -8.421 1.00 0.00 C ATOM 226 CE LYS A 15 -6.815 -1.342 -7.655 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.451 -2.516 -8.307 1.00 0.00 N ATOM 0 H LYS A 15 -4.452 3.135 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.363 2.032 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.825 1.028 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.161 -0.027 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.238 0.670 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.898 1.246 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.788 -0.933 -9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.757 -1.551 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.532 -1.600 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.535 -0.526 -7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.794 -3.174 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.251 -2.198 -8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.754 -2.999 -8.909 1.00 0.00 H new ATOM 241 N ARG A 16 -1.186 2.192 -9.270 1.00 0.00 N ATOM 242 CA ARG A 16 0.238 2.155 -9.553 1.00 0.00 C ATOM 243 C ARG A 16 0.965 3.217 -8.766 1.00 0.00 C ATOM 244 O ARG A 16 2.020 2.947 -8.195 1.00 0.00 O ATOM 245 CB ARG A 16 0.515 2.316 -11.053 1.00 0.00 C ATOM 246 CG ARG A 16 1.899 2.887 -11.379 1.00 0.00 C ATOM 247 CD ARG A 16 2.358 2.476 -12.763 1.00 0.00 C ATOM 248 NE ARG A 16 3.503 3.255 -13.230 1.00 0.00 N ATOM 249 CZ ARG A 16 4.013 3.154 -14.455 1.00 0.00 C ATOM 250 NH1 ARG A 16 3.484 2.302 -15.328 1.00 0.00 N ATOM 251 NH2 ARG A 16 5.052 3.900 -14.807 1.00 0.00 N ATOM 0 H ARG A 16 -1.777 2.391 -10.077 1.00 0.00 H new ATOM 0 HA ARG A 16 0.611 1.177 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.412 1.344 -11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.245 2.968 -11.483 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.870 3.975 -11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.620 2.542 -10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.622 1.418 -12.755 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.533 2.593 -13.465 1.00 0.00 H new ATOM 0 HE ARG A 16 3.935 3.913 -12.581 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.687 1.725 -15.059 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.875 2.225 -16.267 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.461 4.552 -14.138 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.442 3.821 -15.746 1.00 0.00 H new ATOM 265 N GLN A 17 0.402 4.415 -8.702 1.00 0.00 N ATOM 266 CA GLN A 17 1.060 5.457 -7.963 1.00 0.00 C ATOM 267 C GLN A 17 1.019 5.125 -6.476 1.00 0.00 C ATOM 268 O GLN A 17 1.994 5.326 -5.780 1.00 0.00 O ATOM 269 CB GLN A 17 0.476 6.845 -8.275 1.00 0.00 C ATOM 270 CG GLN A 17 1.295 7.969 -7.674 1.00 0.00 C ATOM 271 CD GLN A 17 2.717 7.987 -8.195 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.978 7.655 -9.353 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.653 8.344 -7.339 1.00 0.00 N ATOM 0 H GLN A 17 -0.481 4.675 -9.141 1.00 0.00 H new ATOM 0 HA GLN A 17 2.103 5.506 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.421 6.978 -9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.544 6.900 -7.895 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.817 8.923 -7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.309 7.865 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.399 8.613 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.631 8.352 -7.627 1.00 0.00 H new ATOM 282 N LEU A 18 -0.085 4.531 -6.029 1.00 0.00 N ATOM 283 CA LEU A 18 -0.252 4.106 -4.643 1.00 0.00 C ATOM 284 C LEU A 18 0.821 3.122 -4.252 1.00 0.00 C ATOM 285 O LEU A 18 1.477 3.280 -3.227 1.00 0.00 O ATOM 286 CB LEU A 18 -1.621 3.461 -4.416 1.00 0.00 C ATOM 287 CG LEU A 18 -2.566 4.203 -3.462 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.034 3.314 -2.332 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.918 5.442 -2.885 1.00 0.00 C ATOM 0 H LEU A 18 -0.891 4.331 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.174 5.000 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.117 3.360 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.466 2.453 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.429 4.500 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.701 3.877 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.566 2.455 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.173 2.969 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.618 5.940 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.023 5.160 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.645 6.120 -3.694 1.00 0.00 H new ATOM 301 N SER A 19 0.999 2.111 -5.085 1.00 0.00 N ATOM 302 CA SER A 19 2.005 1.099 -4.842 1.00 0.00 C ATOM 303 C SER A 19 3.387 1.747 -4.771 1.00 0.00 C ATOM 304 O SER A 19 4.304 1.235 -4.127 1.00 0.00 O ATOM 305 CB SER A 19 1.970 0.050 -5.946 1.00 0.00 C ATOM 306 OG SER A 19 0.645 -0.395 -6.188 1.00 0.00 O ATOM 0 H SER A 19 0.457 1.972 -5.937 1.00 0.00 H new ATOM 0 HA SER A 19 1.795 0.610 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.389 0.467 -6.861 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.596 -0.797 -5.666 1.00 0.00 H new ATOM 0 HG SER A 19 0.144 0.307 -6.653 1.00 0.00 H new ATOM 312 N LEU A 20 3.517 2.878 -5.456 1.00 0.00 N ATOM 313 CA LEU A 20 4.739 3.672 -5.423 1.00 0.00 C ATOM 314 C LEU A 20 4.818 4.547 -4.158 1.00 0.00 C ATOM 315 O LEU A 20 5.835 4.532 -3.470 1.00 0.00 O ATOM 316 CB LEU A 20 4.838 4.539 -6.678 1.00 0.00 C ATOM 317 CG LEU A 20 4.989 3.772 -7.992 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.878 4.705 -9.188 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.311 3.040 -8.015 1.00 0.00 C ATOM 0 H LEU A 20 2.783 3.268 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 20 5.583 2.982 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.946 5.162 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.689 5.211 -6.569 1.00 0.00 H new ATOM 0 HG LEU A 20 4.179 3.045 -8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.989 4.132 -10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.903 5.193 -9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.662 5.460 -9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.410 2.497 -8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.126 3.758 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.352 2.337 -7.183 1.00 0.00 H new ATOM 331 N ASP A 21 3.763 5.318 -3.857 1.00 0.00 N ATOM 332 CA ASP A 21 3.710 6.120 -2.643 1.00 0.00 C ATOM 333 C ASP A 21 3.964 5.245 -1.420 1.00 0.00 C ATOM 334 O ASP A 21 4.661 5.638 -0.483 1.00 0.00 O ATOM 335 CB ASP A 21 2.373 6.825 -2.498 1.00 0.00 C ATOM 336 CG ASP A 21 1.724 7.259 -3.794 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.518 7.004 -3.977 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.403 7.919 -4.611 1.00 0.00 O ATOM 0 H ASP A 21 2.934 5.398 -4.446 1.00 0.00 H new ATOM 0 HA ASP A 21 4.489 6.879 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.687 6.161 -1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.511 7.704 -1.869 1.00 0.00 H new ATOM 343 N ILE A 22 3.414 4.043 -1.463 1.00 0.00 N ATOM 344 CA ILE A 22 3.586 3.065 -0.397 1.00 0.00 C ATOM 345 C ILE A 22 5.030 2.564 -0.334 1.00 0.00 C ATOM 346 O ILE A 22 5.578 2.364 0.746 1.00 0.00 O ATOM 347 CB ILE A 22 2.611 1.876 -0.564 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.166 2.320 -0.313 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.969 0.746 0.383 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.139 1.306 -0.757 1.00 0.00 C ATOM 0 H ILE A 22 2.836 3.716 -2.237 1.00 0.00 H new ATOM 0 HA ILE A 22 3.356 3.566 0.544 1.00 0.00 H new ATOM 0 HB ILE A 22 2.699 1.517 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.034 2.517 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.987 3.260 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.269 -0.078 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.981 0.401 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.914 1.102 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.861 1.686 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.244 1.126 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.292 0.372 -0.216 1.00 0.00 H new ATOM 362 N ASN A 23 5.655 2.384 -1.489 1.00 0.00 N ATOM 363 CA ASN A 23 7.030 1.894 -1.530 1.00 0.00 C ATOM 364 C ASN A 23 8.029 3.012 -1.218 1.00 0.00 C ATOM 365 O ASN A 23 9.203 2.745 -0.948 1.00 0.00 O ATOM 366 CB ASN A 23 7.343 1.223 -2.883 1.00 0.00 C ATOM 367 CG ASN A 23 8.057 2.114 -3.890 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.429 2.725 -4.747 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.375 2.171 -3.812 1.00 0.00 N ATOM 0 H ASN A 23 5.239 2.567 -2.402 1.00 0.00 H new ATOM 0 HA ASN A 23 7.134 1.136 -0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.957 0.341 -2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.409 0.876 -3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.901 2.736 -4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.866 1.650 -3.086 1.00 0.00 H new ATOM 376 N LYS A 24 7.567 4.263 -1.259 1.00 0.00 N ATOM 377 CA LYS A 24 8.394 5.395 -0.846 1.00 0.00 C ATOM 378 C LYS A 24 8.636 5.360 0.652 1.00 0.00 C ATOM 379 O LYS A 24 9.670 5.823 1.135 1.00 0.00 O ATOM 380 CB LYS A 24 7.733 6.719 -1.201 1.00 0.00 C ATOM 381 CG LYS A 24 7.622 6.963 -2.688 1.00 0.00 C ATOM 382 CD LYS A 24 6.851 8.236 -2.976 1.00 0.00 C ATOM 383 CE LYS A 24 6.334 8.271 -4.399 1.00 0.00 C ATOM 384 NZ LYS A 24 7.434 8.244 -5.394 1.00 0.00 N ATOM 0 H LYS A 24 6.630 4.516 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 24 9.342 5.313 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.736 6.746 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.302 7.532 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.619 7.031 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.124 6.117 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.014 8.318 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.495 9.098 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.674 7.419 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.736 9.171 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.040 8.355 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.097 9.022 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.938 7.336 -5.330 1.00 0.00 H new ATOM 398 N LEU A 25 7.659 4.831 1.380 1.00 0.00 N ATOM 399 CA LEU A 25 7.742 4.722 2.823 1.00 0.00 C ATOM 400 C LEU A 25 8.965 3.921 3.234 1.00 0.00 C ATOM 401 O LEU A 25 9.368 2.986 2.541 1.00 0.00 O ATOM 402 CB LEU A 25 6.503 4.021 3.373 1.00 0.00 C ATOM 403 CG LEU A 25 5.160 4.533 2.870 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.059 3.625 3.374 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.915 5.955 3.342 1.00 0.00 C ATOM 0 H LEU A 25 6.792 4.468 0.984 1.00 0.00 H new ATOM 0 HA LEU A 25 7.813 5.732 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.576 2.960 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.516 4.105 4.460 1.00 0.00 H new ATOM 0 HG LEU A 25 5.168 4.532 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.096 3.988 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.225 2.613 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.062 3.619 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.950 6.300 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.916 5.982 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.703 6.605 2.963 1.00 0.00 H new ATOM 417 N PRO A 26 9.590 4.304 4.350 1.00 0.00 N ATOM 418 CA PRO A 26 10.626 3.487 4.973 1.00 0.00 C ATOM 419 C PRO A 26 10.078 2.109 5.351 1.00 0.00 C ATOM 420 O PRO A 26 8.868 1.964 5.550 1.00 0.00 O ATOM 421 CB PRO A 26 11.030 4.265 6.232 1.00 0.00 C ATOM 422 CG PRO A 26 10.447 5.639 6.087 1.00 0.00 C ATOM 423 CD PRO A 26 9.353 5.575 5.051 1.00 0.00 C ATOM 0 HA PRO A 26 11.468 3.313 4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.651 3.775 7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.115 4.312 6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.049 5.986 7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.217 6.349 5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.366 5.596 5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.403 6.422 4.367 1.00 0.00 H new ATOM 431 N GLY A 27 10.957 1.112 5.440 1.00 0.00 N ATOM 432 CA GLY A 27 10.534 -0.267 5.673 1.00 0.00 C ATOM 433 C GLY A 27 9.500 -0.409 6.776 1.00 0.00 C ATOM 434 O GLY A 27 8.492 -1.100 6.607 1.00 0.00 O ATOM 0 H GLY A 27 11.966 1.234 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.124 -0.673 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.407 -0.868 5.926 1.00 0.00 H new ATOM 438 N GLU A 28 9.743 0.271 7.892 1.00 0.00 N ATOM 439 CA GLU A 28 8.838 0.263 9.040 1.00 0.00 C ATOM 440 C GLU A 28 7.417 0.650 8.633 1.00 0.00 C ATOM 441 O GLU A 28 6.437 0.054 9.086 1.00 0.00 O ATOM 442 CB GLU A 28 9.349 1.254 10.090 1.00 0.00 C ATOM 443 CG GLU A 28 8.532 1.281 11.369 1.00 0.00 C ATOM 444 CD GLU A 28 8.691 0.019 12.186 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.771 -0.167 12.789 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.738 -0.789 12.243 1.00 0.00 O ATOM 0 H GLU A 28 10.575 0.845 8.028 1.00 0.00 H new ATOM 0 HA GLU A 28 8.813 -0.747 9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.381 1.005 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.357 2.254 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.833 2.139 11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.480 1.419 11.121 1.00 0.00 H new ATOM 453 N LYS A 29 7.312 1.633 7.755 1.00 0.00 N ATOM 454 CA LYS A 29 6.028 2.205 7.401 1.00 0.00 C ATOM 455 C LYS A 29 5.240 1.307 6.454 1.00 0.00 C ATOM 456 O LYS A 29 4.012 1.344 6.439 1.00 0.00 O ATOM 457 CB LYS A 29 6.203 3.600 6.803 1.00 0.00 C ATOM 458 CG LYS A 29 6.410 4.729 7.829 1.00 0.00 C ATOM 459 CD LYS A 29 5.746 4.491 9.182 1.00 0.00 C ATOM 460 CE LYS A 29 6.052 5.645 10.121 1.00 0.00 C ATOM 461 NZ LYS A 29 5.979 6.961 9.429 1.00 0.00 N ATOM 0 H LYS A 29 8.107 2.052 7.273 1.00 0.00 H new ATOM 0 HA LYS A 29 5.449 2.289 8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.057 3.584 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.324 3.833 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.480 4.869 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.025 5.658 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.668 4.391 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.104 3.556 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.347 5.633 10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.047 5.513 10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.787 7.709 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.884 7.154 8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.215 6.941 8.724 1.00 0.00 H new ATOM 475 N LEU A 30 5.915 0.475 5.675 1.00 0.00 N ATOM 476 CA LEU A 30 5.183 -0.493 4.870 1.00 0.00 C ATOM 477 C LEU A 30 4.603 -1.576 5.777 1.00 0.00 C ATOM 478 O LEU A 30 3.735 -2.344 5.371 1.00 0.00 O ATOM 479 CB LEU A 30 6.034 -1.120 3.763 1.00 0.00 C ATOM 480 CG LEU A 30 6.449 -0.193 2.624 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.857 0.307 2.830 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.336 -0.902 1.283 1.00 0.00 C ATOM 0 H LEU A 30 6.930 0.447 5.583 1.00 0.00 H new ATOM 0 HA LEU A 30 4.379 0.045 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.936 -1.531 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.480 -1.958 3.338 1.00 0.00 H new ATOM 0 HG LEU A 30 5.773 0.662 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.133 0.966 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.914 0.856 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.543 -0.540 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.637 -0.222 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.986 -1.777 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.304 -1.215 1.123 1.00 0.00 H new ATOM 494 N GLY A 31 5.064 -1.604 7.025 1.00 0.00 N ATOM 495 CA GLY A 31 4.495 -2.504 8.013 1.00 0.00 C ATOM 496 C GLY A 31 3.066 -2.128 8.356 1.00 0.00 C ATOM 497 O GLY A 31 2.303 -2.941 8.880 1.00 0.00 O ATOM 0 H GLY A 31 5.824 -1.017 7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.522 -3.525 7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.104 -2.484 8.917 1.00 0.00 H new ATOM 501 N ARG A 32 2.711 -0.892 8.054 1.00 0.00 N ATOM 502 CA ARG A 32 1.350 -0.408 8.250 1.00 0.00 C ATOM 503 C ARG A 32 0.431 -0.880 7.125 1.00 0.00 C ATOM 504 O ARG A 32 -0.626 -1.447 7.386 1.00 0.00 O ATOM 505 CB ARG A 32 1.333 1.117 8.326 1.00 0.00 C ATOM 506 CG ARG A 32 -0.044 1.729 8.090 1.00 0.00 C ATOM 507 CD ARG A 32 -0.683 2.223 9.374 1.00 0.00 C ATOM 508 NE ARG A 32 0.143 3.223 10.056 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.341 4.182 10.847 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.645 4.255 11.095 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.485 5.063 11.401 1.00 0.00 N ATOM 0 H ARG A 32 3.351 -0.197 7.668 1.00 0.00 H new ATOM 0 HA ARG A 32 0.982 -0.818 9.191 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.695 1.427 9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.029 1.516 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.045 2.559 7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.694 0.987 7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.659 2.653 9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.852 1.378 10.042 1.00 0.00 H new ATOM 0 HE ARG A 32 1.153 3.183 9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.282 3.575 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.009 4.991 11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.487 5.005 11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.117 5.797 12.006 1.00 0.00 H new ATOM 525 N VAL A 33 0.827 -0.640 5.876 1.00 0.00 N ATOM 526 CA VAL A 33 0.024 -1.062 4.727 1.00 0.00 C ATOM 527 C VAL A 33 -0.179 -2.565 4.719 1.00 0.00 C ATOM 528 O VAL A 33 -1.278 -3.028 4.432 1.00 0.00 O ATOM 529 CB VAL A 33 0.630 -0.610 3.383 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.289 0.845 3.113 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.129 -0.800 3.371 1.00 0.00 C ATOM 0 H VAL A 33 1.693 -0.159 5.634 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.943 -0.572 4.837 1.00 0.00 H new ATOM 0 HB VAL A 33 0.200 -1.229 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.723 1.150 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.794 0.963 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.692 1.467 3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.530 -0.473 2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.577 -0.210 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.363 -1.854 3.522 1.00 0.00 H new ATOM 541 N VAL A 34 0.855 -3.333 5.058 1.00 0.00 N ATOM 542 CA VAL A 34 0.694 -4.772 5.152 1.00 0.00 C ATOM 543 C VAL A 34 -0.329 -5.102 6.234 1.00 0.00 C ATOM 544 O VAL A 34 -1.186 -5.951 6.041 1.00 0.00 O ATOM 545 CB VAL A 34 2.026 -5.513 5.422 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.084 -5.113 4.413 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.528 -5.276 6.831 1.00 0.00 C ATOM 0 H VAL A 34 1.792 -2.987 5.267 1.00 0.00 H new ATOM 0 HA VAL A 34 0.338 -5.123 4.183 1.00 0.00 H new ATOM 0 HB VAL A 34 1.826 -6.579 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.010 -5.648 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.742 -5.363 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.262 -4.040 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.465 -5.814 6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.694 -4.210 6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.787 -5.634 7.546 1.00 0.00 H new ATOM 557 N HIS A 35 -0.268 -4.375 7.347 1.00 0.00 N ATOM 558 CA HIS A 35 -1.216 -4.553 8.437 1.00 0.00 C ATOM 559 C HIS A 35 -2.626 -4.196 7.979 1.00 0.00 C ATOM 560 O HIS A 35 -3.584 -4.898 8.298 1.00 0.00 O ATOM 561 CB HIS A 35 -0.796 -3.704 9.644 1.00 0.00 C ATOM 562 CG HIS A 35 -1.807 -3.649 10.755 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.917 -4.619 11.728 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.755 -2.727 11.041 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.890 -4.295 12.560 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.413 -3.152 12.166 1.00 0.00 N ATOM 0 H HIS A 35 0.433 -3.654 7.515 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.216 -5.600 8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.139 -4.099 10.041 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.594 -2.688 9.304 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.956 -1.823 10.485 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.204 -4.870 13.419 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.182 -2.663 12.623 1.00 0.00 H new ATOM 575 N ILE A 36 -2.751 -3.105 7.229 1.00 0.00 N ATOM 576 CA ILE A 36 -4.039 -2.720 6.677 1.00 0.00 C ATOM 577 C ILE A 36 -4.529 -3.778 5.695 1.00 0.00 C ATOM 578 O ILE A 36 -5.536 -4.431 5.936 1.00 0.00 O ATOM 579 CB ILE A 36 -4.008 -1.354 5.955 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.643 -0.228 6.919 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.378 -1.094 5.345 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.353 1.082 6.224 1.00 0.00 C ATOM 0 H ILE A 36 -1.981 -2.479 6.993 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.718 -2.633 7.526 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.247 -1.381 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.461 -0.084 7.625 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.769 -0.525 7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.371 -0.132 4.832 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.615 -1.884 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.130 -1.079 6.133 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.101 1.839 6.966 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.516 0.953 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.233 1.400 5.666 1.00 0.00 H new ATOM 594 N ILE A 37 -3.797 -3.948 4.598 1.00 0.00 N ATOM 595 CA ILE A 37 -4.158 -4.912 3.567 1.00 0.00 C ATOM 596 C ILE A 37 -4.464 -6.295 4.153 1.00 0.00 C ATOM 597 O ILE A 37 -5.535 -6.824 3.926 1.00 0.00 O ATOM 598 CB ILE A 37 -3.061 -5.041 2.503 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.076 -3.830 1.583 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.257 -6.307 1.701 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.740 -3.151 1.462 1.00 0.00 C ATOM 0 H ILE A 37 -2.944 -3.425 4.401 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.063 -4.527 3.097 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.094 -5.089 3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.408 -4.141 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.807 -3.112 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.472 -6.387 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.212 -7.170 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.229 -6.279 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.826 -2.296 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.415 -2.809 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.009 -3.854 1.063 1.00 0.00 H new ATOM 613 N GLN A 38 -3.533 -6.864 4.920 1.00 0.00 N ATOM 614 CA GLN A 38 -3.701 -8.218 5.471 1.00 0.00 C ATOM 615 C GLN A 38 -4.981 -8.344 6.304 1.00 0.00 C ATOM 616 O GLN A 38 -5.676 -9.359 6.235 1.00 0.00 O ATOM 617 CB GLN A 38 -2.503 -8.594 6.345 1.00 0.00 C ATOM 618 CG GLN A 38 -1.255 -8.981 5.568 1.00 0.00 C ATOM 619 CD GLN A 38 -0.008 -8.975 6.435 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.087 -8.226 7.407 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.960 -9.808 6.091 1.00 0.00 N ATOM 0 H GLN A 38 -2.655 -6.413 5.176 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.772 -8.897 4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.265 -7.752 6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.787 -9.425 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.391 -9.974 5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.119 -8.290 4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.846 -10.414 5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.820 -9.844 6.638 1.00 0.00 H new ATOM 630 N SER A 39 -5.280 -7.324 7.106 1.00 0.00 N ATOM 631 CA SER A 39 -6.453 -7.350 7.957 1.00 0.00 C ATOM 632 C SER A 39 -7.727 -7.199 7.131 1.00 0.00 C ATOM 633 O SER A 39 -8.739 -7.852 7.396 1.00 0.00 O ATOM 634 CB SER A 39 -6.362 -6.242 9.009 1.00 0.00 C ATOM 635 OG SER A 39 -6.339 -4.953 8.420 1.00 0.00 O ATOM 0 H SER A 39 -4.723 -6.473 7.180 1.00 0.00 H new ATOM 0 HA SER A 39 -6.492 -8.315 8.463 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.212 -6.316 9.688 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.462 -6.383 9.608 1.00 0.00 H new ATOM 0 HG SER A 39 -5.901 -5.001 7.545 1.00 0.00 H new ATOM 641 N ARG A 40 -7.658 -6.342 6.123 1.00 0.00 N ATOM 642 CA ARG A 40 -8.791 -6.087 5.246 1.00 0.00 C ATOM 643 C ARG A 40 -8.988 -7.247 4.272 1.00 0.00 C ATOM 644 O ARG A 40 -10.114 -7.622 3.953 1.00 0.00 O ATOM 645 CB ARG A 40 -8.573 -4.776 4.471 1.00 0.00 C ATOM 646 CG ARG A 40 -8.330 -3.570 5.369 1.00 0.00 C ATOM 647 CD ARG A 40 -8.867 -2.287 4.769 1.00 0.00 C ATOM 648 NE ARG A 40 -10.249 -2.404 4.314 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.312 -2.150 5.076 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.167 -1.883 6.371 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.522 -2.182 4.542 1.00 0.00 N ATOM 0 H ARG A 40 -6.821 -5.807 5.891 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.689 -5.993 5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.722 -4.897 3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.445 -4.584 3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.801 -3.740 6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.260 -3.464 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.801 -1.490 5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.237 -1.994 3.929 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.411 -2.699 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.236 -1.872 6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.986 -1.690 6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.637 -2.400 3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.340 -1.988 5.120 1.00 0.00 H new ATOM 665 N GLU A 41 -7.882 -7.818 3.822 1.00 0.00 N ATOM 666 CA GLU A 41 -7.890 -8.885 2.832 1.00 0.00 C ATOM 667 C GLU A 41 -7.395 -10.192 3.461 1.00 0.00 C ATOM 668 O GLU A 41 -6.208 -10.520 3.368 1.00 0.00 O ATOM 669 CB GLU A 41 -6.976 -8.510 1.664 1.00 0.00 C ATOM 670 CG GLU A 41 -7.126 -7.068 1.197 1.00 0.00 C ATOM 671 CD GLU A 41 -8.465 -6.786 0.547 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.808 -7.456 -0.447 1.00 0.00 O ATOM 673 OE2 GLU A 41 -9.180 -5.878 1.019 1.00 0.00 O ATOM 0 H GLU A 41 -6.948 -7.553 4.135 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.909 -9.023 2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.940 -8.680 1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.183 -9.176 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.996 -6.402 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.330 -6.838 0.489 1.00 0.00 H new ATOM 680 N PRO A 42 -8.292 -10.965 4.109 1.00 0.00 N ATOM 681 CA PRO A 42 -7.919 -12.208 4.810 1.00 0.00 C ATOM 682 C PRO A 42 -7.361 -13.301 3.891 1.00 0.00 C ATOM 683 O PRO A 42 -7.038 -14.401 4.343 1.00 0.00 O ATOM 684 CB PRO A 42 -9.233 -12.687 5.438 1.00 0.00 C ATOM 685 CG PRO A 42 -10.143 -11.507 5.421 1.00 0.00 C ATOM 686 CD PRO A 42 -9.731 -10.674 4.242 1.00 0.00 C ATOM 0 HA PRO A 42 -7.119 -12.012 5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.657 -13.517 4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.073 -13.043 6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.183 -11.820 5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.060 -10.938 6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.282 -10.949 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.913 -9.613 4.415 1.00 0.00 H new ATOM 694 N SER A 43 -7.236 -13.002 2.610 1.00 0.00 N ATOM 695 CA SER A 43 -6.791 -13.981 1.640 1.00 0.00 C ATOM 696 C SER A 43 -5.272 -13.960 1.486 1.00 0.00 C ATOM 697 O SER A 43 -4.686 -14.882 0.917 1.00 0.00 O ATOM 698 CB SER A 43 -7.470 -13.701 0.291 1.00 0.00 C ATOM 699 OG SER A 43 -7.323 -12.336 -0.075 1.00 0.00 O ATOM 0 H SER A 43 -7.438 -12.082 2.218 1.00 0.00 H new ATOM 0 HA SER A 43 -7.071 -14.974 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.035 -14.337 -0.479 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.529 -13.954 0.352 1.00 0.00 H new ATOM 0 HG SER A 43 -7.761 -12.180 -0.938 1.00 0.00 H new ATOM 705 N LEU A 44 -4.626 -12.922 2.007 1.00 0.00 N ATOM 706 CA LEU A 44 -3.187 -12.779 1.820 1.00 0.00 C ATOM 707 C LEU A 44 -2.419 -12.777 3.137 1.00 0.00 C ATOM 708 O LEU A 44 -1.265 -12.349 3.190 1.00 0.00 O ATOM 709 CB LEU A 44 -2.876 -11.524 1.003 1.00 0.00 C ATOM 710 CG LEU A 44 -3.436 -10.214 1.528 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.442 -9.557 2.463 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.777 -9.304 0.360 1.00 0.00 C ATOM 0 H LEU A 44 -5.066 -12.180 2.552 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.849 -13.655 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.793 -11.426 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.253 -11.674 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.347 -10.407 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.855 -8.619 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.240 -10.221 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.514 -9.358 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.179 -8.364 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.877 -9.107 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.520 -9.788 -0.274 1.00 0.00 H new ATOM 724 N LYS A 45 -3.031 -13.298 4.193 1.00 0.00 N ATOM 725 CA LYS A 45 -2.352 -13.379 5.485 1.00 0.00 C ATOM 726 C LYS A 45 -1.346 -14.530 5.495 1.00 0.00 C ATOM 727 O LYS A 45 -0.729 -14.826 6.519 1.00 0.00 O ATOM 728 CB LYS A 45 -3.352 -13.512 6.640 1.00 0.00 C ATOM 729 CG LYS A 45 -4.264 -14.725 6.551 1.00 0.00 C ATOM 730 CD LYS A 45 -5.590 -14.499 7.268 1.00 0.00 C ATOM 731 CE LYS A 45 -5.435 -14.488 8.783 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.691 -14.084 9.471 1.00 0.00 N ATOM 0 H LYS A 45 -3.982 -13.666 4.185 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.807 -12.447 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.799 -13.558 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.967 -12.613 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.454 -14.959 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.761 -15.589 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.019 -13.552 6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.292 -15.282 6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.138 -15.480 9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.634 -13.803 9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.541 -14.090 10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.961 -13.127 9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.450 -14.752 9.228 1.00 0.00 H new ATOM 746 N ASN A 46 -1.182 -15.168 4.339 1.00 0.00 N ATOM 747 CA ASN A 46 -0.177 -16.209 4.168 1.00 0.00 C ATOM 748 C ASN A 46 1.183 -15.568 3.919 1.00 0.00 C ATOM 749 O ASN A 46 2.228 -16.196 4.102 1.00 0.00 O ATOM 750 CB ASN A 46 -0.529 -17.136 2.999 1.00 0.00 C ATOM 751 CG ASN A 46 -1.933 -17.700 3.091 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.175 -18.685 3.784 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.861 -17.099 2.360 1.00 0.00 N ATOM 0 H ASN A 46 -1.736 -14.980 3.504 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.147 -16.807 5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.425 -16.587 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.185 -17.959 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.818 -17.452 2.359 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.618 -16.283 1.798 1.00 0.00 H new ATOM 760 N SER A 47 1.154 -14.310 3.496 1.00 0.00 N ATOM 761 CA SER A 47 2.367 -13.536 3.285 1.00 0.00 C ATOM 762 C SER A 47 2.785 -12.861 4.587 1.00 0.00 C ATOM 763 O SER A 47 2.012 -12.111 5.178 1.00 0.00 O ATOM 764 CB SER A 47 2.136 -12.490 2.190 1.00 0.00 C ATOM 765 OG SER A 47 1.801 -13.108 0.958 1.00 0.00 O ATOM 0 H SER A 47 0.294 -13.802 3.291 1.00 0.00 H new ATOM 0 HA SER A 47 3.167 -14.204 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.336 -11.814 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.034 -11.885 2.065 1.00 0.00 H new ATOM 0 HG SER A 47 1.657 -12.420 0.275 1.00 0.00 H new ATOM 771 N ASN A 48 3.997 -13.148 5.039 1.00 0.00 N ATOM 772 CA ASN A 48 4.522 -12.550 6.266 1.00 0.00 C ATOM 773 C ASN A 48 4.862 -11.092 6.005 1.00 0.00 C ATOM 774 O ASN A 48 5.319 -10.780 4.918 1.00 0.00 O ATOM 775 CB ASN A 48 5.792 -13.275 6.726 1.00 0.00 C ATOM 776 CG ASN A 48 5.816 -13.540 8.214 1.00 0.00 C ATOM 777 OD1 ASN A 48 6.197 -12.683 9.010 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.452 -14.748 8.590 1.00 0.00 N ATOM 0 H ASN A 48 4.639 -13.792 4.576 1.00 0.00 H new ATOM 0 HA ASN A 48 3.763 -12.635 7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.876 -14.222 6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.663 -12.678 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.479 -15.005 9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.143 -15.427 7.895 1.00 0.00 H new ATOM 785 N PRO A 49 4.654 -10.175 6.961 1.00 0.00 N ATOM 786 CA PRO A 49 4.982 -8.750 6.755 1.00 0.00 C ATOM 787 C PRO A 49 6.426 -8.527 6.294 1.00 0.00 C ATOM 788 O PRO A 49 6.683 -7.708 5.414 1.00 0.00 O ATOM 789 CB PRO A 49 4.752 -8.135 8.137 1.00 0.00 C ATOM 790 CG PRO A 49 3.757 -9.037 8.790 1.00 0.00 C ATOM 791 CD PRO A 49 4.081 -10.423 8.302 1.00 0.00 C ATOM 0 HA PRO A 49 4.376 -8.306 5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.679 -8.087 8.709 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.372 -7.116 8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.829 -8.978 9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.739 -8.756 8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.791 -10.927 8.958 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.192 -11.052 8.252 1.00 0.00 H new ATOM 799 N ASP A 50 7.348 -9.312 6.837 1.00 0.00 N ATOM 800 CA ASP A 50 8.777 -9.119 6.587 1.00 0.00 C ATOM 801 C ASP A 50 9.154 -9.604 5.193 1.00 0.00 C ATOM 802 O ASP A 50 10.216 -9.273 4.671 1.00 0.00 O ATOM 803 CB ASP A 50 9.610 -9.875 7.628 1.00 0.00 C ATOM 804 CG ASP A 50 9.292 -9.462 9.049 1.00 0.00 C ATOM 805 OD1 ASP A 50 8.418 -10.098 9.679 1.00 0.00 O ATOM 806 OD2 ASP A 50 9.922 -8.507 9.553 1.00 0.00 O ATOM 0 H ASP A 50 7.133 -10.093 7.457 1.00 0.00 H new ATOM 0 HA ASP A 50 8.987 -8.052 6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.435 -10.945 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.669 -9.703 7.433 1.00 0.00 H new ATOM 811 N GLU A 51 8.256 -10.376 4.605 1.00 0.00 N ATOM 812 CA GLU A 51 8.462 -10.983 3.297 1.00 0.00 C ATOM 813 C GLU A 51 7.208 -10.794 2.462 1.00 0.00 C ATOM 814 O GLU A 51 6.872 -11.623 1.612 1.00 0.00 O ATOM 815 CB GLU A 51 8.777 -12.480 3.424 1.00 0.00 C ATOM 816 CG GLU A 51 10.232 -12.841 3.176 1.00 0.00 C ATOM 817 CD GLU A 51 11.164 -12.350 4.258 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.979 -11.448 3.983 1.00 0.00 O ATOM 819 OE2 GLU A 51 11.101 -12.886 5.386 1.00 0.00 O ATOM 0 H GLU A 51 7.354 -10.602 5.024 1.00 0.00 H new ATOM 0 HA GLU A 51 9.312 -10.499 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.498 -12.813 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.154 -13.031 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.321 -13.924 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.545 -12.422 2.220 1.00 0.00 H new ATOM 826 N ILE A 52 6.510 -9.710 2.746 1.00 0.00 N ATOM 827 CA ILE A 52 5.186 -9.463 2.201 1.00 0.00 C ATOM 828 C ILE A 52 5.204 -9.278 0.685 1.00 0.00 C ATOM 829 O ILE A 52 6.177 -8.786 0.107 1.00 0.00 O ATOM 830 CB ILE A 52 4.567 -8.201 2.841 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.086 -8.077 2.507 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.276 -6.979 2.321 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.231 -9.214 3.002 1.00 0.00 C ATOM 0 H ILE A 52 6.846 -8.972 3.364 1.00 0.00 H new ATOM 0 HA ILE A 52 4.587 -10.344 2.434 1.00 0.00 H new ATOM 0 HB ILE A 52 4.678 -8.285 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.709 -7.146 2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.977 -8.003 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.841 -6.087 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.334 -7.036 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.167 -6.929 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.193 -9.039 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.576 -10.148 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.304 -9.278 4.088 1.00 0.00 H new ATOM 845 N GLU A 53 4.134 -9.722 0.055 1.00 0.00 N ATOM 846 CA GLU A 53 3.819 -9.339 -1.291 1.00 0.00 C ATOM 847 C GLU A 53 2.332 -8.993 -1.344 1.00 0.00 C ATOM 848 O GLU A 53 1.493 -9.785 -0.911 1.00 0.00 O ATOM 849 CB GLU A 53 4.150 -10.477 -2.235 1.00 0.00 C ATOM 850 CG GLU A 53 4.697 -10.007 -3.558 1.00 0.00 C ATOM 851 CD GLU A 53 3.731 -9.109 -4.299 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.922 -9.639 -5.095 1.00 0.00 O ATOM 853 OE2 GLU A 53 3.783 -7.883 -4.094 1.00 0.00 O ATOM 0 H GLU A 53 3.459 -10.363 0.473 1.00 0.00 H new ATOM 0 HA GLU A 53 4.405 -8.473 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.878 -11.135 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.252 -11.069 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.631 -9.471 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.932 -10.872 -4.178 1.00 0.00 H new ATOM 860 N ILE A 54 2.007 -7.813 -1.849 1.00 0.00 N ATOM 861 CA ILE A 54 0.636 -7.327 -1.826 1.00 0.00 C ATOM 862 C ILE A 54 0.112 -7.136 -3.237 1.00 0.00 C ATOM 863 O ILE A 54 0.656 -6.358 -4.018 1.00 0.00 O ATOM 864 CB ILE A 54 0.501 -5.996 -1.059 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.905 -6.187 0.401 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.934 -5.478 -1.150 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.151 -4.890 1.133 1.00 0.00 C ATOM 0 H ILE A 54 2.675 -7.174 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 54 0.047 -8.084 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 54 1.166 -5.260 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.122 -6.743 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.808 -6.796 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.017 -4.538 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.197 -5.315 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.614 -6.211 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.434 -5.102 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.955 -4.342 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.242 -4.288 1.123 1.00 0.00 H new ATOM 879 N ASP A 55 -0.952 -7.843 -3.552 1.00 0.00 N ATOM 880 CA ASP A 55 -1.556 -7.759 -4.858 1.00 0.00 C ATOM 881 C ASP A 55 -2.578 -6.628 -4.873 1.00 0.00 C ATOM 882 O ASP A 55 -3.719 -6.794 -4.416 1.00 0.00 O ATOM 883 CB ASP A 55 -2.234 -9.081 -5.218 1.00 0.00 C ATOM 884 CG ASP A 55 -1.511 -10.295 -4.670 1.00 0.00 C ATOM 885 OD1 ASP A 55 -0.746 -10.931 -5.424 1.00 0.00 O ATOM 886 OD2 ASP A 55 -1.713 -10.625 -3.483 1.00 0.00 O ATOM 0 H ASP A 55 -1.418 -8.487 -2.913 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.780 -7.557 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.255 -9.073 -4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.299 -9.164 -6.303 1.00 0.00 H new ATOM 891 N PHE A 56 -2.176 -5.480 -5.404 1.00 0.00 N ATOM 892 CA PHE A 56 -3.036 -4.300 -5.435 1.00 0.00 C ATOM 893 C PHE A 56 -4.304 -4.575 -6.233 1.00 0.00 C ATOM 894 O PHE A 56 -5.310 -3.878 -6.099 1.00 0.00 O ATOM 895 CB PHE A 56 -2.293 -3.109 -6.039 1.00 0.00 C ATOM 896 CG PHE A 56 -2.532 -1.852 -5.266 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.029 -1.727 -3.996 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.273 -0.811 -5.786 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.254 -0.601 -3.260 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.498 0.331 -5.036 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.982 0.418 -3.773 1.00 0.00 C ATOM 0 H PHE A 56 -1.256 -5.339 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.313 -4.061 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.224 -3.322 -6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.613 -2.967 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.446 -2.532 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.680 -0.887 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.849 -0.522 -2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.076 1.146 -5.445 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.156 1.305 -3.181 1.00 0.00 H new ATOM 911 N GLU A 57 -4.244 -5.612 -7.048 1.00 0.00 N ATOM 912 CA GLU A 57 -5.354 -5.997 -7.897 1.00 0.00 C ATOM 913 C GLU A 57 -6.378 -6.835 -7.143 1.00 0.00 C ATOM 914 O GLU A 57 -7.501 -7.018 -7.609 1.00 0.00 O ATOM 915 CB GLU A 57 -4.831 -6.768 -9.105 1.00 0.00 C ATOM 916 CG GLU A 57 -4.040 -5.904 -10.066 1.00 0.00 C ATOM 917 CD GLU A 57 -4.906 -4.865 -10.750 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.160 -3.801 -10.144 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.333 -5.107 -11.898 1.00 0.00 O ATOM 0 H GLU A 57 -3.423 -6.211 -7.139 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.856 -5.088 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.201 -7.588 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.672 -7.214 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.236 -5.405 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.572 -6.537 -10.820 1.00 0.00 H new ATOM 926 N THR A 58 -6.003 -7.325 -5.974 1.00 0.00 N ATOM 927 CA THR A 58 -6.894 -8.175 -5.200 1.00 0.00 C ATOM 928 C THR A 58 -7.511 -7.406 -4.049 1.00 0.00 C ATOM 929 O THR A 58 -8.482 -7.850 -3.440 1.00 0.00 O ATOM 930 CB THR A 58 -6.161 -9.418 -4.666 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.071 -9.044 -3.807 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.635 -10.239 -5.827 1.00 0.00 C ATOM 0 H THR A 58 -5.096 -7.151 -5.542 1.00 0.00 H new ATOM 0 HA THR A 58 -7.688 -8.506 -5.869 1.00 0.00 H new ATOM 0 HB THR A 58 -6.869 -10.011 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.863 -8.095 -3.937 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.116 -11.118 -5.445 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.467 -10.553 -6.457 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.943 -9.636 -6.415 1.00 0.00 H new ATOM 940 N LEU A 59 -6.947 -6.243 -3.765 1.00 0.00 N ATOM 941 CA LEU A 59 -7.450 -5.410 -2.685 1.00 0.00 C ATOM 942 C LEU A 59 -8.758 -4.759 -3.090 1.00 0.00 C ATOM 943 O LEU A 59 -8.909 -4.297 -4.222 1.00 0.00 O ATOM 944 CB LEU A 59 -6.445 -4.322 -2.325 1.00 0.00 C ATOM 945 CG LEU A 59 -4.992 -4.780 -2.250 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.084 -3.606 -1.949 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.834 -5.848 -1.191 1.00 0.00 C ATOM 0 H LEU A 59 -6.146 -5.856 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.610 -6.050 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.520 -3.522 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.725 -3.895 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.710 -5.200 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.051 -3.949 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.181 -2.860 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.366 -3.163 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.792 -6.166 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.131 -5.447 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.464 -6.702 -1.439 1.00 0.00 H new ATOM 959 N LYS A 60 -9.703 -4.741 -2.173 1.00 0.00 N ATOM 960 CA LYS A 60 -10.965 -4.069 -2.402 1.00 0.00 C ATOM 961 C LYS A 60 -10.786 -2.555 -2.208 1.00 0.00 C ATOM 962 O LYS A 60 -9.944 -2.137 -1.406 1.00 0.00 O ATOM 963 CB LYS A 60 -12.016 -4.646 -1.450 1.00 0.00 C ATOM 964 CG LYS A 60 -11.848 -4.226 -0.006 1.00 0.00 C ATOM 965 CD LYS A 60 -12.958 -4.799 0.854 1.00 0.00 C ATOM 966 CE LYS A 60 -12.441 -5.150 2.243 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.536 -6.325 2.196 1.00 0.00 N ATOM 0 H LYS A 60 -9.620 -5.186 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.305 -4.232 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.005 -4.341 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.981 -5.734 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.881 -4.566 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.852 -3.138 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.770 -4.077 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.369 -5.689 0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.911 -4.296 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.281 -5.361 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.253 -6.584 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.030 -7.126 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.690 -6.090 1.639 1.00 0.00 H new ATOM 981 N PRO A 61 -11.535 -1.721 -2.977 1.00 0.00 N ATOM 982 CA PRO A 61 -11.465 -0.253 -2.921 1.00 0.00 C ATOM 983 C PRO A 61 -11.146 0.331 -1.544 1.00 0.00 C ATOM 984 O PRO A 61 -10.255 1.173 -1.423 1.00 0.00 O ATOM 985 CB PRO A 61 -12.868 0.156 -3.343 1.00 0.00 C ATOM 986 CG PRO A 61 -13.308 -0.898 -4.299 1.00 0.00 C ATOM 987 CD PRO A 61 -12.494 -2.141 -4.021 1.00 0.00 C ATOM 0 HA PRO A 61 -10.652 0.118 -3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.537 0.214 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.867 1.139 -3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.372 -1.103 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.161 -0.567 -5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.124 -2.961 -3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.980 -2.489 -4.917 1.00 0.00 H new ATOM 995 N SER A 62 -11.865 -0.115 -0.516 1.00 0.00 N ATOM 996 CA SER A 62 -11.705 0.440 0.826 1.00 0.00 C ATOM 997 C SER A 62 -10.263 0.330 1.318 1.00 0.00 C ATOM 998 O SER A 62 -9.721 1.287 1.864 1.00 0.00 O ATOM 999 CB SER A 62 -12.664 -0.233 1.810 1.00 0.00 C ATOM 1000 OG SER A 62 -12.608 -1.646 1.702 1.00 0.00 O ATOM 0 H SER A 62 -12.562 -0.857 -0.586 1.00 0.00 H new ATOM 0 HA SER A 62 -11.952 1.500 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.413 0.066 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.682 0.108 1.620 1.00 0.00 H new ATOM 0 HG SER A 62 -13.512 -2.016 1.779 1.00 0.00 H new ATOM 1006 N THR A 63 -9.636 -0.819 1.098 1.00 0.00 N ATOM 1007 CA THR A 63 -8.255 -1.021 1.522 1.00 0.00 C ATOM 1008 C THR A 63 -7.349 -0.082 0.761 1.00 0.00 C ATOM 1009 O THR A 63 -6.576 0.652 1.357 1.00 0.00 O ATOM 1010 CB THR A 63 -7.804 -2.478 1.306 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.885 -3.357 1.653 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.583 -2.810 2.156 1.00 0.00 C ATOM 0 H THR A 63 -10.058 -1.621 0.631 1.00 0.00 H new ATOM 0 HA THR A 63 -8.193 -0.809 2.589 1.00 0.00 H new ATOM 0 HB THR A 63 -7.531 -2.607 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.831 -4.171 1.110 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.289 -3.845 1.982 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.760 -2.148 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.826 -2.675 3.210 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.506 -0.063 -0.556 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.669 0.758 -1.423 1.00 0.00 C ATOM 1022 C LEU A 64 -6.762 2.228 -1.036 1.00 0.00 C ATOM 1023 O LEU A 64 -5.775 2.956 -1.080 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.099 0.567 -2.880 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.194 -0.883 -3.318 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.368 -1.053 -4.239 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.932 -1.309 -4.023 1.00 0.00 C ATOM 0 H LEU A 64 -8.210 -0.611 -1.051 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.632 0.444 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.069 1.043 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.390 1.084 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.326 -1.507 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.436 -2.094 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.283 -0.771 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.238 -0.417 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.020 -2.351 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.778 -0.684 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.083 -1.200 -3.348 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.946 2.658 -0.639 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.148 4.047 -0.254 1.00 0.00 C ATOM 1041 C ARG A 65 -7.634 4.314 1.161 1.00 0.00 C ATOM 1042 O ARG A 65 -7.294 5.451 1.495 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.620 4.441 -0.384 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.129 4.426 -1.825 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.186 5.185 -2.751 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.800 5.522 -4.037 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.398 6.539 -4.809 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.528 7.430 -4.345 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.895 6.689 -6.028 1.00 0.00 N ATOM 0 H ARG A 65 -8.778 2.072 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.569 4.667 -0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.225 3.759 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.759 5.439 0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.228 3.396 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.122 4.873 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.860 6.101 -2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.294 4.583 -2.926 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.578 4.949 -4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.163 7.341 -3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.225 8.203 -4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.587 6.028 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.586 7.465 -6.613 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.546 3.271 1.981 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.971 3.406 3.311 1.00 0.00 C ATOM 1065 C GLU A 66 -5.463 3.507 3.191 1.00 0.00 C ATOM 1066 O GLU A 66 -4.826 4.343 3.833 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.333 2.197 4.171 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.775 2.175 4.646 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.099 3.328 5.566 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.656 3.303 6.735 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -9.797 4.264 5.131 1.00 0.00 O ATOM 0 H GLU A 66 -7.864 2.330 1.748 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.369 4.304 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.137 1.289 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.676 2.175 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.439 2.206 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.969 1.236 5.164 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.912 2.645 2.342 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.485 2.615 2.067 1.00 0.00 C ATOM 1080 C LEU A 67 -3.003 4.001 1.627 1.00 0.00 C ATOM 1081 O LEU A 67 -1.951 4.482 2.050 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.207 1.603 0.953 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.868 0.256 1.153 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.494 -0.701 0.040 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.509 -0.300 2.517 1.00 0.00 C ATOM 0 H LEU A 67 -5.447 1.947 1.825 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.953 2.325 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.544 2.022 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.130 1.457 0.872 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.950 0.384 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.982 -1.661 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.818 -0.291 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.413 -0.840 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.989 -1.269 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.428 -0.417 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.852 0.386 3.291 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.810 4.629 0.775 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.501 5.924 0.183 1.00 0.00 C ATOM 1099 C GLU A 68 -3.436 7.043 1.211 1.00 0.00 C ATOM 1100 O GLU A 68 -2.381 7.652 1.407 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.562 6.269 -0.848 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.299 7.564 -1.577 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.056 8.755 -1.017 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.307 8.718 -1.000 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -4.407 9.743 -0.619 1.00 0.00 O ATOM 0 H GLU A 68 -4.707 4.247 0.474 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.516 5.840 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.627 5.459 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.531 6.331 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.231 7.777 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.565 7.438 -2.626 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.581 7.322 1.839 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.685 8.379 2.849 1.00 0.00 C ATOM 1114 C ARG A 69 -3.618 8.194 3.906 1.00 0.00 C ATOM 1115 O ARG A 69 -3.176 9.145 4.552 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.061 8.348 3.506 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.232 9.401 4.582 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.141 8.915 5.695 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.669 7.660 6.281 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.386 6.539 6.305 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.601 6.518 5.776 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.890 5.437 6.854 1.00 0.00 N ATOM 0 H ARG A 69 -5.455 6.827 1.664 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.544 9.342 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.825 8.491 2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.227 7.363 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.258 9.663 4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.646 10.308 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.202 9.677 6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.149 8.776 5.305 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.737 7.643 6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.987 7.361 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.150 5.659 5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.955 5.446 7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.444 4.581 6.869 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.190 6.964 4.051 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.161 6.642 5.000 1.00 0.00 C ATOM 1138 C TYR A 70 -0.801 7.139 4.516 1.00 0.00 C ATOM 1139 O TYR A 70 -0.144 7.916 5.197 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.100 5.141 5.249 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.758 4.721 5.731 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.011 3.877 4.970 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.235 5.224 6.916 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.265 3.538 5.360 1.00 0.00 C ATOM 1145 CE2 TYR A 70 1.029 4.882 7.325 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.780 4.039 6.543 1.00 0.00 C ATOM 1147 OH TYR A 70 3.046 3.710 6.939 1.00 0.00 O ATOM 0 H TYR A 70 -3.542 6.168 3.519 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.408 7.143 5.936 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.855 4.862 5.984 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.340 4.609 4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.387 3.478 4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.830 5.891 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.861 2.878 4.748 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.428 5.271 8.250 1.00 0.00 H new ATOM 0 HH TYR A 70 3.289 2.837 6.565 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.368 6.686 3.352 1.00 0.00 N ATOM 1158 CA VAL A 71 0.965 7.026 2.882 1.00 0.00 C ATOM 1159 C VAL A 71 1.090 8.503 2.633 1.00 0.00 C ATOM 1160 O VAL A 71 2.121 9.089 2.918 1.00 0.00 O ATOM 1161 CB VAL A 71 1.361 6.263 1.618 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.358 4.790 1.901 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.427 6.551 0.462 1.00 0.00 C ATOM 0 H VAL A 71 -0.909 6.092 2.724 1.00 0.00 H new ATOM 0 HA VAL A 71 1.648 6.729 3.678 1.00 0.00 H new ATOM 0 HB VAL A 71 2.359 6.596 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.640 4.246 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.071 4.571 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.360 4.482 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.748 5.987 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.587 6.257 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.447 7.617 0.235 1.00 0.00 H new ATOM 1173 N THR A 72 0.034 9.116 2.142 1.00 0.00 N ATOM 1174 CA THR A 72 0.062 10.534 1.907 1.00 0.00 C ATOM 1175 C THR A 72 0.178 11.269 3.242 1.00 0.00 C ATOM 1176 O THR A 72 0.698 12.367 3.301 1.00 0.00 O ATOM 1177 CB THR A 72 -1.182 11.004 1.111 1.00 0.00 C ATOM 1178 OG1 THR A 72 -0.941 12.289 0.527 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.413 11.073 1.995 1.00 0.00 C ATOM 0 H THR A 72 -0.844 8.656 1.902 1.00 0.00 H new ATOM 0 HA THR A 72 0.933 10.770 1.296 1.00 0.00 H new ATOM 0 HB THR A 72 -1.364 10.273 0.324 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.733 12.574 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.267 11.406 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.620 10.086 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.238 11.777 2.809 1.00 0.00 H new ATOM 1187 N SER A 73 -0.246 10.632 4.331 1.00 0.00 N ATOM 1188 CA SER A 73 -0.106 11.237 5.641 1.00 0.00 C ATOM 1189 C SER A 73 1.361 11.184 6.071 1.00 0.00 C ATOM 1190 O SER A 73 1.859 12.075 6.758 1.00 0.00 O ATOM 1191 CB SER A 73 -1.006 10.528 6.658 1.00 0.00 C ATOM 1192 OG SER A 73 -0.369 9.404 7.239 1.00 0.00 O ATOM 0 H SER A 73 -0.683 9.710 4.328 1.00 0.00 H new ATOM 0 HA SER A 73 -0.420 12.280 5.594 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.289 11.230 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.926 10.210 6.168 1.00 0.00 H new ATOM 0 HG SER A 73 -0.000 8.835 6.531 1.00 0.00 H new ATOM 1198 N CYS A 74 2.050 10.139 5.618 1.00 0.00 N ATOM 1199 CA CYS A 74 3.456 9.937 5.929 1.00 0.00 C ATOM 1200 C CYS A 74 4.338 10.770 4.997 1.00 0.00 C ATOM 1201 O CYS A 74 5.296 11.408 5.427 1.00 0.00 O ATOM 1202 CB CYS A 74 3.793 8.451 5.800 1.00 0.00 C ATOM 1203 SG CYS A 74 5.502 8.025 6.212 1.00 0.00 S ATOM 0 H CYS A 74 1.647 9.412 5.027 1.00 0.00 H new ATOM 0 HA CYS A 74 3.648 10.262 6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.125 7.883 6.448 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.590 8.134 4.777 1.00 0.00 H new ATOM 0 HG CYS A 74 6.249 9.085 6.115 1.00 0.00 H new ATOM 1209 N LEU A 75 3.989 10.762 3.720 1.00 0.00 N ATOM 1210 CA LEU A 75 4.764 11.448 2.684 1.00 0.00 C ATOM 1211 C LEU A 75 4.531 12.959 2.705 1.00 0.00 C ATOM 1212 O LEU A 75 5.489 13.731 2.614 1.00 0.00 O ATOM 1213 CB LEU A 75 4.411 10.860 1.316 1.00 0.00 C ATOM 1214 CG LEU A 75 4.449 9.338 1.284 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.851 8.806 -0.010 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.867 8.827 1.471 1.00 0.00 C ATOM 0 H LEU A 75 3.161 10.281 3.367 1.00 0.00 H new ATOM 0 HA LEU A 75 5.824 11.291 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.415 11.197 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.105 11.249 0.571 1.00 0.00 H new ATOM 0 HG LEU A 75 3.844 8.970 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.890 7.717 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.814 9.132 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.420 9.188 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.868 7.737 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.500 9.210 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.252 9.167 2.432 1.00 0.00 H new ATOM 1228 N ARG A 76 3.270 13.389 2.829 1.00 0.00 N ATOM 1229 CA ARG A 76 2.968 14.812 2.968 1.00 0.00 C ATOM 1230 C ARG A 76 3.564 15.351 4.258 1.00 0.00 C ATOM 1231 O ARG A 76 3.730 16.557 4.403 1.00 0.00 O ATOM 1232 CB ARG A 76 1.463 15.090 2.975 1.00 0.00 C ATOM 1233 CG ARG A 76 0.745 14.799 1.668 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.668 15.353 1.703 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.681 16.780 2.024 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.781 17.474 2.305 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.973 16.889 2.260 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.688 18.760 2.619 1.00 0.00 N ATOM 0 H ARG A 76 2.453 12.778 2.836 1.00 0.00 H new ATOM 0 HA ARG A 76 3.406 15.311 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.003 14.494 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.304 16.137 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.295 15.242 0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.716 13.723 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.146 15.193 0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.254 14.808 2.443 1.00 0.00 H new ATOM 0 HE ARG A 76 0.211 17.275 2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.048 15.903 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.813 17.426 2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.775 19.214 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.530 19.294 2.835 1.00 0.00 H new ATOM 1409 N TRP B 202 2.083 -4.576 -9.116 1.00 0.00 N ATOM 1410 CA TRP B 202 2.698 -4.624 -7.799 1.00 0.00 C ATOM 1411 C TRP B 202 2.805 -6.084 -7.384 1.00 0.00 C ATOM 1412 O TRP B 202 1.834 -6.670 -6.912 1.00 0.00 O ATOM 1413 CB TRP B 202 1.834 -3.841 -6.804 1.00 0.00 C ATOM 1414 CG TRP B 202 2.565 -3.311 -5.604 1.00 0.00 C ATOM 1415 CD1 TRP B 202 3.871 -2.922 -5.529 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.003 -3.060 -4.314 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.156 -2.456 -4.268 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.023 -2.530 -3.504 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.735 -3.237 -3.770 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.807 -2.173 -2.174 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.522 -2.880 -2.451 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.549 -2.352 -1.667 1.00 0.00 C ATOM 0 HA TRP B 202 3.690 -4.174 -7.817 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.373 -3.004 -7.328 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.026 -4.487 -6.461 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.579 -2.973 -6.343 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.063 -2.112 -3.953 1.00 0.00 H new ATOM 0 HE3 TRP B 202 -0.068 -3.645 -4.366 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.603 -1.770 -1.566 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.459 -3.012 -2.019 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.347 -2.080 -0.642 1.00 0.00 H new ATOM 1433 N THR B 203 3.959 -6.682 -7.628 1.00 0.00 N ATOM 1434 CA THR B 203 4.142 -8.104 -7.393 1.00 0.00 C ATOM 1435 C THR B 203 5.542 -8.370 -6.812 1.00 0.00 C ATOM 1436 O THR B 203 6.227 -7.422 -6.421 1.00 0.00 O ATOM 1437 CB THR B 203 3.893 -8.882 -8.715 1.00 0.00 C ATOM 1438 OG1 THR B 203 2.696 -8.386 -9.324 1.00 0.00 O ATOM 1439 CG2 THR B 203 3.727 -10.382 -8.492 1.00 0.00 C ATOM 0 H THR B 203 4.784 -6.204 -7.989 1.00 0.00 H new ATOM 0 HA THR B 203 3.420 -8.458 -6.657 1.00 0.00 H new ATOM 0 HB THR B 203 4.766 -8.731 -9.350 1.00 0.00 H new ATOM 0 HG1 THR B 203 2.530 -8.869 -10.160 1.00 0.00 H new ATOM 0 HG21 THR B 203 3.556 -10.875 -9.449 1.00 0.00 H new ATOM 0 HG22 THR B 203 4.630 -10.784 -8.033 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.876 -10.560 -7.834 1.00 0.00 H new ATOM 1447 N LEU B 204 5.933 -9.649 -6.742 1.00 0.00 N ATOM 1448 CA LEU B 204 7.175 -10.106 -6.105 1.00 0.00 C ATOM 1449 C LEU B 204 8.335 -9.126 -6.254 1.00 0.00 C ATOM 1450 O LEU B 204 8.887 -8.664 -5.255 1.00 0.00 O ATOM 1451 CB LEU B 204 7.581 -11.468 -6.678 1.00 0.00 C ATOM 1452 CG LEU B 204 6.594 -12.611 -6.421 1.00 0.00 C ATOM 1453 CD1 LEU B 204 6.993 -13.843 -7.214 1.00 0.00 C ATOM 1454 CD2 LEU B 204 6.534 -12.949 -4.939 1.00 0.00 C ATOM 0 H LEU B 204 5.382 -10.412 -7.136 1.00 0.00 H new ATOM 0 HA LEU B 204 6.963 -10.182 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU B 204 7.718 -11.364 -7.754 1.00 0.00 H new ATOM 0 HB3 LEU B 204 8.548 -11.745 -6.259 1.00 0.00 H new ATOM 0 HG LEU B 204 5.606 -12.284 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU B 204 6.282 -14.646 -7.021 1.00 0.00 H new ATOM 0 HD12 LEU B 204 6.993 -13.607 -8.278 1.00 0.00 H new ATOM 0 HD13 LEU B 204 7.991 -14.162 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU B 204 5.827 -13.763 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU B 204 7.522 -13.254 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU B 204 6.210 -12.072 -4.379 1.00 0.00 H new ATOM 1466 N GLU B 205 8.715 -8.819 -7.488 1.00 0.00 N ATOM 1467 CA GLU B 205 9.829 -7.907 -7.729 1.00 0.00 C ATOM 1468 C GLU B 205 9.582 -6.559 -7.061 1.00 0.00 C ATOM 1469 O GLU B 205 10.406 -6.080 -6.276 1.00 0.00 O ATOM 1470 CB GLU B 205 10.073 -7.707 -9.228 1.00 0.00 C ATOM 1471 CG GLU B 205 10.836 -8.845 -9.890 1.00 0.00 C ATOM 1472 CD GLU B 205 10.060 -10.142 -9.928 1.00 0.00 C ATOM 1473 OE1 GLU B 205 10.270 -10.996 -9.046 1.00 0.00 O ATOM 1474 OE2 GLU B 205 9.242 -10.322 -10.851 1.00 0.00 O ATOM 0 H GLU B 205 8.273 -9.184 -8.332 1.00 0.00 H new ATOM 0 HA GLU B 205 10.719 -8.360 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU B 205 9.112 -7.588 -9.729 1.00 0.00 H new ATOM 0 HB3 GLU B 205 10.626 -6.779 -9.375 1.00 0.00 H new ATOM 0 HG2 GLU B 205 11.096 -8.555 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU B 205 11.772 -9.005 -9.355 1.00 0.00 H new ATOM 1481 N ARG B 206 8.428 -5.979 -7.357 1.00 0.00 N ATOM 1482 CA ARG B 206 8.054 -4.669 -6.843 1.00 0.00 C ATOM 1483 C ARG B 206 8.163 -4.585 -5.322 1.00 0.00 C ATOM 1484 O ARG B 206 9.057 -3.920 -4.796 1.00 0.00 O ATOM 1485 CB ARG B 206 6.624 -4.333 -7.259 1.00 0.00 C ATOM 1486 CG ARG B 206 6.496 -3.757 -8.659 1.00 0.00 C ATOM 1487 CD ARG B 206 7.018 -2.332 -8.710 1.00 0.00 C ATOM 1488 NE ARG B 206 6.365 -1.478 -7.714 1.00 0.00 N ATOM 1489 CZ ARG B 206 6.922 -0.387 -7.189 1.00 0.00 C ATOM 1490 NH1 ARG B 206 8.128 0.000 -7.582 1.00 0.00 N ATOM 1491 NH2 ARG B 206 6.274 0.317 -6.265 1.00 0.00 N ATOM 0 H ARG B 206 7.724 -6.403 -7.961 1.00 0.00 H new ATOM 0 HA ARG B 206 8.754 -3.950 -7.269 1.00 0.00 H new ATOM 0 HB2 ARG B 206 6.018 -5.237 -7.194 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.209 -3.620 -6.547 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.051 -4.377 -9.363 1.00 0.00 H new ATOM 0 HG3 ARG B 206 5.452 -3.777 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG B 206 8.094 -2.333 -8.539 1.00 0.00 H new ATOM 0 HD3 ARG B 206 6.854 -1.920 -9.706 1.00 0.00 H new ATOM 0 HE ARG B 206 5.428 -1.734 -7.404 1.00 0.00 H new ATOM 0 HH11 ARG B 206 8.631 -0.538 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG B 206 8.552 0.835 -7.179 1.00 0.00 H new ATOM 0 HH21 ARG B 206 5.348 0.022 -5.956 1.00 0.00 H new ATOM 0 HH22 ARG B 206 6.703 1.151 -5.865 1.00 0.00 H new ATOM 1505 N LEU B 207 7.273 -5.268 -4.617 1.00 0.00 N ATOM 1506 CA LEU B 207 7.155 -5.075 -3.179 1.00 0.00 C ATOM 1507 C LEU B 207 8.338 -5.669 -2.428 1.00 0.00 C ATOM 1508 O LEU B 207 8.963 -4.980 -1.629 1.00 0.00 O ATOM 1509 CB LEU B 207 5.842 -5.654 -2.649 1.00 0.00 C ATOM 1510 CG LEU B 207 5.549 -5.365 -1.165 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.815 -3.910 -0.809 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.109 -5.698 -0.849 1.00 0.00 C ATOM 0 H LEU B 207 6.629 -5.953 -5.011 1.00 0.00 H new ATOM 0 HA LEU B 207 7.155 -3.999 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.021 -5.259 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.854 -6.734 -2.797 1.00 0.00 H new ATOM 0 HG LEU B 207 6.218 -5.989 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.596 -3.748 0.246 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.861 -3.673 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU B 207 5.179 -3.265 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.910 -5.491 0.202 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.450 -5.090 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU B 207 3.927 -6.753 -1.052 1.00 0.00 H new ATOM 1524 N LYS B 208 8.664 -6.928 -2.701 1.00 0.00 N ATOM 1525 CA LYS B 208 9.706 -7.625 -1.948 1.00 0.00 C ATOM 1526 C LYS B 208 11.025 -6.854 -1.969 1.00 0.00 C ATOM 1527 O LYS B 208 11.700 -6.739 -0.944 1.00 0.00 O ATOM 1528 CB LYS B 208 9.918 -9.040 -2.501 1.00 0.00 C ATOM 1529 CG LYS B 208 10.983 -9.844 -1.761 1.00 0.00 C ATOM 1530 CD LYS B 208 10.572 -10.150 -0.328 1.00 0.00 C ATOM 1531 CE LYS B 208 9.385 -11.102 -0.271 1.00 0.00 C ATOM 1532 NZ LYS B 208 9.701 -12.429 -0.861 1.00 0.00 N ATOM 0 H LYS B 208 8.226 -7.486 -3.434 1.00 0.00 H new ATOM 0 HA LYS B 208 9.370 -7.693 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.973 -9.581 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.196 -8.970 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.167 -10.778 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS B 208 11.921 -9.288 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS B 208 11.415 -10.588 0.206 1.00 0.00 H new ATOM 0 HD3 LYS B 208 10.318 -9.222 0.183 1.00 0.00 H new ATOM 0 HE2 LYS B 208 9.075 -11.232 0.766 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.542 -10.661 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.973 -13.116 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.722 -12.352 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.629 -12.749 -0.518 1.00 0.00 H new ATOM 1546 N ARG B 209 11.377 -6.298 -3.124 1.00 0.00 N ATOM 1547 CA ARG B 209 12.668 -5.637 -3.273 1.00 0.00 C ATOM 1548 C ARG B 209 12.631 -4.186 -2.800 1.00 0.00 C ATOM 1549 O ARG B 209 13.664 -3.621 -2.452 1.00 0.00 O ATOM 1550 CB ARG B 209 13.154 -5.711 -4.723 1.00 0.00 C ATOM 1551 CG ARG B 209 13.688 -7.081 -5.126 1.00 0.00 C ATOM 1552 CD ARG B 209 12.591 -8.135 -5.205 1.00 0.00 C ATOM 1553 NE ARG B 209 13.137 -9.460 -5.497 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.400 -10.545 -5.727 1.00 0.00 C ATOM 1555 NH1 ARG B 209 11.078 -10.487 -5.660 1.00 0.00 N ATOM 1556 NH2 ARG B 209 12.987 -11.697 -6.018 1.00 0.00 N ATOM 0 H ARG B 209 10.794 -6.292 -3.961 1.00 0.00 H new ATOM 0 HA ARG B 209 13.373 -6.171 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.331 -5.443 -5.386 1.00 0.00 H new ATOM 0 HB3 ARG B 209 13.938 -4.968 -4.872 1.00 0.00 H new ATOM 0 HG2 ARG B 209 14.183 -7.004 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.442 -7.399 -4.406 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.046 -8.165 -4.261 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.874 -7.858 -5.978 1.00 0.00 H new ATOM 0 HE ARG B 209 14.152 -9.560 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG B 209 10.617 -9.606 -5.431 1.00 0.00 H new ATOM 0 HH12 ARG B 209 10.521 -11.323 -5.838 1.00 0.00 H new ATOM 0 HH21 ARG B 209 14.004 -11.753 -6.066 1.00 0.00 H new ATOM 0 HH22 ARG B 209 12.421 -12.527 -6.194 1.00 0.00 H new ATOM 1570 N LYS B 210 11.451 -3.578 -2.780 1.00 0.00 N ATOM 1571 CA LYS B 210 11.327 -2.195 -2.321 1.00 0.00 C ATOM 1572 C LYS B 210 10.998 -2.136 -0.831 1.00 0.00 C ATOM 1573 O LYS B 210 11.094 -1.080 -0.205 1.00 0.00 O ATOM 1574 CB LYS B 210 10.260 -1.449 -3.127 1.00 0.00 C ATOM 1575 CG LYS B 210 10.659 -1.179 -4.572 1.00 0.00 C ATOM 1576 CD LYS B 210 11.808 -0.185 -4.657 1.00 0.00 C ATOM 1577 CE LYS B 210 12.231 0.068 -6.097 1.00 0.00 C ATOM 1578 NZ LYS B 210 12.809 -1.146 -6.731 1.00 0.00 N ATOM 0 H LYS B 210 10.575 -4.012 -3.072 1.00 0.00 H new ATOM 0 HA LYS B 210 12.289 -1.707 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS B 210 9.338 -2.030 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.044 -0.500 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS B 210 10.949 -2.114 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS B 210 9.801 -0.792 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS B 210 11.509 0.756 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS B 210 12.658 -0.563 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS B 210 11.369 0.403 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS B 210 12.964 0.874 -6.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 13.251 -0.888 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 13.526 -1.559 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 12.055 -1.842 -6.900 1.00 0.00 H new ATOM 1592 N TYR B 211 10.608 -3.273 -0.276 1.00 0.00 N ATOM 1593 CA TYR B 211 10.260 -3.368 1.136 1.00 0.00 C ATOM 1594 C TYR B 211 11.456 -3.848 1.952 1.00 0.00 C ATOM 1595 O TYR B 211 11.924 -3.151 2.850 1.00 0.00 O ATOM 1596 CB TYR B 211 9.074 -4.330 1.302 1.00 0.00 C ATOM 1597 CG TYR B 211 8.517 -4.462 2.708 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.221 -4.058 2.981 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.267 -5.002 3.749 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.685 -4.186 4.248 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.739 -5.129 5.021 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.445 -4.718 5.263 1.00 0.00 C ATOM 1603 OH TYR B 211 6.908 -4.843 6.525 1.00 0.00 O ATOM 0 H TYR B 211 10.524 -4.152 -0.787 1.00 0.00 H new ATOM 0 HA TYR B 211 9.977 -2.381 1.503 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.270 -4.001 0.643 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.382 -5.318 0.960 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.619 -3.636 2.190 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.279 -5.328 3.560 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.671 -3.869 4.441 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.335 -5.547 5.819 1.00 0.00 H new ATOM 0 HH TYR B 211 6.615 -5.768 6.666 1.00 0.00 H new