USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 46 ASN : amide:sc= -0.164 K(o=0.12,f=-5.9!) USER MOD Set 1.2: A 47 SER OG : rot 43:sc= 0.287 USER MOD Single : A 10 MET CE :methyl -153:sc= -1.92 (180deg=-3.08!) USER MOD Single : A 11 SER OG : rot 98:sc= 1.2 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.02) USER MOD Single : A 17 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.16) USER MOD Single : A 19 SER OG : rot -53:sc= 0.93 USER MOD Single : A 23 ASN : amide:sc=-0.00197 X(o=-0.002,f=-0.002) USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= -0.0738 (180deg=-0.504) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0317) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -3.8! C(o=-3.8!,f=-8.1!) USER MOD Single : A 39 SER OG : rot -97:sc= 1.25 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00202 USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= -0.601 (180deg=-2.55!) USER MOD Single : A 48 ASN : amide:sc= -0.822 K(o=-0.82,f=0) USER MOD Single : A 58 THR OG1 : rot -66:sc= -0.0563 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 1.39 (180deg=0.716) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 63 THR OG1 : rot 172:sc= 1.28 USER MOD Single : A 70 TYR OH : rot 155:sc= 1.23 USER MOD Single : A 72 THR OG1 : rot -14:sc= 1.79 USER MOD Single : A 73 SER OG : rot -52:sc= 1.28 USER MOD Single : A 74 CYS SG : rot -19:sc= 0.256 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.182 6.852 -2.333 1.00 0.00 N ATOM 127 CA PRO A 9 -12.728 5.965 -3.407 1.00 0.00 C ATOM 128 C PRO A 9 -11.422 6.436 -4.032 1.00 0.00 C ATOM 129 O PRO A 9 -11.251 7.622 -4.307 1.00 0.00 O ATOM 130 CB PRO A 9 -13.864 6.009 -4.435 1.00 0.00 C ATOM 131 CG PRO A 9 -14.656 7.228 -4.109 1.00 0.00 C ATOM 132 CD PRO A 9 -14.483 7.467 -2.633 1.00 0.00 C ATOM 0 HA PRO A 9 -12.522 4.961 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.471 6.057 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.482 5.113 -4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.305 8.084 -4.685 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.707 7.086 -4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.488 8.531 -2.396 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.286 7.008 -2.056 1.00 0.00 H new ATOM 140 N MET A 10 -10.495 5.510 -4.232 1.00 0.00 N ATOM 141 CA MET A 10 -9.213 5.838 -4.838 1.00 0.00 C ATOM 142 C MET A 10 -9.268 5.567 -6.337 1.00 0.00 C ATOM 143 O MET A 10 -9.554 4.444 -6.758 1.00 0.00 O ATOM 144 CB MET A 10 -8.085 5.015 -4.214 1.00 0.00 C ATOM 145 CG MET A 10 -6.699 5.467 -4.643 1.00 0.00 C ATOM 146 SD MET A 10 -6.014 6.745 -3.581 1.00 0.00 S ATOM 147 CE MET A 10 -5.288 5.753 -2.288 1.00 0.00 C ATOM 0 H MET A 10 -10.607 4.527 -3.984 1.00 0.00 H new ATOM 0 HA MET A 10 -9.012 6.894 -4.660 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.159 5.076 -3.128 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.217 3.967 -4.484 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.028 4.608 -4.647 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.745 5.840 -5.666 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.257 6.328 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.888 4.855 -2.138 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.275 5.469 -2.573 1.00 0.00 H new ATOM 157 N SER A 11 -8.999 6.586 -7.137 1.00 0.00 N ATOM 158 CA SER A 11 -9.065 6.460 -8.584 1.00 0.00 C ATOM 159 C SER A 11 -7.761 5.895 -9.166 1.00 0.00 C ATOM 160 O SER A 11 -6.825 5.587 -8.425 1.00 0.00 O ATOM 161 CB SER A 11 -9.407 7.816 -9.193 1.00 0.00 C ATOM 162 OG SER A 11 -8.748 8.862 -8.501 1.00 0.00 O ATOM 0 H SER A 11 -8.732 7.513 -6.807 1.00 0.00 H new ATOM 0 HA SER A 11 -9.850 5.748 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.117 7.831 -10.244 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.485 7.974 -9.157 1.00 0.00 H new ATOM 0 HG SER A 11 -7.934 9.113 -8.986 1.00 0.00 H new ATOM 168 N TYR A 12 -7.704 5.771 -10.493 1.00 0.00 N ATOM 169 CA TYR A 12 -6.615 5.058 -11.161 1.00 0.00 C ATOM 170 C TYR A 12 -5.247 5.729 -10.936 1.00 0.00 C ATOM 171 O TYR A 12 -4.323 5.088 -10.434 1.00 0.00 O ATOM 172 CB TYR A 12 -6.953 4.868 -12.659 1.00 0.00 C ATOM 173 CG TYR A 12 -6.073 5.606 -13.649 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.827 5.109 -13.997 1.00 0.00 C ATOM 175 CD2 TYR A 12 -6.500 6.784 -14.252 1.00 0.00 C ATOM 176 CE1 TYR A 12 -4.023 5.762 -14.913 1.00 0.00 C ATOM 177 CE2 TYR A 12 -5.703 7.446 -15.167 1.00 0.00 C ATOM 178 CZ TYR A 12 -4.464 6.932 -15.494 1.00 0.00 C ATOM 179 OH TYR A 12 -3.669 7.586 -16.411 1.00 0.00 O ATOM 0 H TYR A 12 -8.403 6.157 -11.128 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.523 4.070 -10.710 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.905 3.803 -12.887 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.984 5.182 -12.819 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.477 4.193 -13.544 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.470 7.188 -14.001 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.055 5.358 -15.172 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.048 8.362 -15.624 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.128 8.393 -16.725 1.00 0.00 H new ATOM 189 N GLU A 13 -5.110 7.007 -11.292 1.00 0.00 N ATOM 190 CA GLU A 13 -3.862 7.725 -11.093 1.00 0.00 C ATOM 191 C GLU A 13 -3.503 7.853 -9.613 1.00 0.00 C ATOM 192 O GLU A 13 -2.338 8.068 -9.272 1.00 0.00 O ATOM 193 CB GLU A 13 -3.905 9.113 -11.785 1.00 0.00 C ATOM 194 CG GLU A 13 -5.236 9.852 -11.727 1.00 0.00 C ATOM 195 CD GLU A 13 -5.795 10.008 -10.335 1.00 0.00 C ATOM 196 OE1 GLU A 13 -5.313 10.882 -9.586 1.00 0.00 O ATOM 197 OE2 GLU A 13 -6.732 9.265 -9.994 1.00 0.00 O ATOM 0 H GLU A 13 -5.852 7.562 -11.719 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.072 7.137 -11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.142 9.746 -11.332 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.631 8.983 -12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.110 10.840 -12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.962 9.319 -12.341 1.00 0.00 H new ATOM 204 N GLU A 14 -4.484 7.699 -8.741 1.00 0.00 N ATOM 205 CA GLU A 14 -4.228 7.700 -7.319 1.00 0.00 C ATOM 206 C GLU A 14 -3.643 6.361 -6.884 1.00 0.00 C ATOM 207 O GLU A 14 -2.658 6.321 -6.157 1.00 0.00 O ATOM 208 CB GLU A 14 -5.503 8.007 -6.546 1.00 0.00 C ATOM 209 CG GLU A 14 -5.869 9.483 -6.537 1.00 0.00 C ATOM 210 CD GLU A 14 -6.900 9.828 -5.475 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.110 9.623 -5.715 1.00 0.00 O ATOM 212 OE2 GLU A 14 -6.509 10.314 -4.390 1.00 0.00 O ATOM 0 H GLU A 14 -5.463 7.572 -8.997 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.500 8.481 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.326 7.440 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.386 7.664 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.969 10.075 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.256 9.763 -7.517 1.00 0.00 H new ATOM 219 N LYS A 15 -4.251 5.269 -7.345 1.00 0.00 N ATOM 220 CA LYS A 15 -3.716 3.927 -7.097 1.00 0.00 C ATOM 221 C LYS A 15 -2.295 3.807 -7.644 1.00 0.00 C ATOM 222 O LYS A 15 -1.450 3.132 -7.056 1.00 0.00 O ATOM 223 CB LYS A 15 -4.596 2.851 -7.729 1.00 0.00 C ATOM 224 CG LYS A 15 -5.939 2.694 -7.066 1.00 0.00 C ATOM 225 CD LYS A 15 -6.948 2.147 -8.042 1.00 0.00 C ATOM 226 CE LYS A 15 -7.998 1.324 -7.331 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.968 0.712 -8.274 1.00 0.00 N ATOM 0 H LYS A 15 -5.112 5.285 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.703 3.775 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.747 3.091 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.070 1.897 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.853 2.025 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.278 3.657 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.425 2.969 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.443 1.533 -8.787 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.511 0.538 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.533 1.956 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.891 0.609 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.071 1.321 -9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.623 -0.224 -8.568 1.00 0.00 H new ATOM 241 N ARG A 16 -2.040 4.453 -8.780 1.00 0.00 N ATOM 242 CA ARG A 16 -0.696 4.485 -9.346 1.00 0.00 C ATOM 243 C ARG A 16 0.250 5.211 -8.404 1.00 0.00 C ATOM 244 O ARG A 16 1.298 4.681 -8.044 1.00 0.00 O ATOM 245 CB ARG A 16 -0.668 5.166 -10.712 1.00 0.00 C ATOM 246 CG ARG A 16 0.698 5.094 -11.371 1.00 0.00 C ATOM 247 CD ARG A 16 0.800 6.013 -12.568 1.00 0.00 C ATOM 248 NE ARG A 16 0.560 7.409 -12.211 1.00 0.00 N ATOM 249 CZ ARG A 16 0.052 8.317 -13.042 1.00 0.00 C ATOM 250 NH1 ARG A 16 -0.244 7.989 -14.294 1.00 0.00 N ATOM 251 NH2 ARG A 16 -0.159 9.557 -12.619 1.00 0.00 N ATOM 0 H ARG A 16 -2.741 4.957 -9.322 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.375 3.452 -9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.407 4.698 -11.363 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.959 6.210 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.465 5.359 -10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.896 4.069 -11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.790 5.918 -13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.079 5.704 -13.325 1.00 0.00 H new ATOM 0 HE ARG A 16 0.797 7.707 -11.265 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.083 7.037 -14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.633 8.689 -14.926 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.068 9.814 -11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.548 10.253 -13.255 1.00 0.00 H new ATOM 265 N GLN A 17 -0.137 6.423 -8.007 1.00 0.00 N ATOM 266 CA GLN A 17 0.652 7.220 -7.075 1.00 0.00 C ATOM 267 C GLN A 17 0.906 6.429 -5.801 1.00 0.00 C ATOM 268 O GLN A 17 2.011 6.422 -5.270 1.00 0.00 O ATOM 269 CB GLN A 17 -0.076 8.526 -6.750 1.00 0.00 C ATOM 270 CG GLN A 17 0.776 9.523 -5.986 1.00 0.00 C ATOM 271 CD GLN A 17 1.888 10.110 -6.831 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.999 9.583 -6.880 1.00 0.00 O ATOM 273 NE2 GLN A 17 1.596 11.208 -7.507 1.00 0.00 N ATOM 0 H GLN A 17 -0.997 6.874 -8.320 1.00 0.00 H new ATOM 0 HA GLN A 17 1.609 7.460 -7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.413 8.985 -7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.968 8.299 -6.165 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.142 10.329 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.208 9.032 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.663 11.615 -7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.304 11.648 -8.095 1.00 0.00 H new ATOM 282 N LEU A 18 -0.134 5.746 -5.354 1.00 0.00 N ATOM 283 CA LEU A 18 -0.084 4.884 -4.180 1.00 0.00 C ATOM 284 C LEU A 18 0.981 3.801 -4.360 1.00 0.00 C ATOM 285 O LEU A 18 1.839 3.599 -3.511 1.00 0.00 O ATOM 286 CB LEU A 18 -1.454 4.232 -4.008 1.00 0.00 C ATOM 287 CG LEU A 18 -1.880 3.815 -2.604 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.127 2.970 -2.708 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.795 3.053 -1.868 1.00 0.00 C ATOM 0 H LEU A 18 -1.051 5.773 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 18 0.171 5.474 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.203 4.924 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.484 3.346 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.074 4.719 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.444 2.664 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.921 3.550 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.918 2.085 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.152 2.781 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.544 2.149 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.092 3.680 -1.776 1.00 0.00 H new ATOM 301 N SER A 19 0.927 3.105 -5.477 1.00 0.00 N ATOM 302 CA SER A 19 1.867 2.029 -5.737 1.00 0.00 C ATOM 303 C SER A 19 3.297 2.577 -5.800 1.00 0.00 C ATOM 304 O SER A 19 4.274 1.859 -5.563 1.00 0.00 O ATOM 305 CB SER A 19 1.484 1.315 -7.036 1.00 0.00 C ATOM 306 OG SER A 19 2.061 1.944 -8.172 1.00 0.00 O ATOM 0 H SER A 19 0.245 3.263 -6.219 1.00 0.00 H new ATOM 0 HA SER A 19 1.826 1.305 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.811 0.276 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.399 1.303 -7.138 1.00 0.00 H new ATOM 0 HG SER A 19 1.838 2.898 -8.166 1.00 0.00 H new ATOM 312 N LEU A 20 3.396 3.869 -6.083 1.00 0.00 N ATOM 313 CA LEU A 20 4.672 4.548 -6.190 1.00 0.00 C ATOM 314 C LEU A 20 5.138 5.055 -4.824 1.00 0.00 C ATOM 315 O LEU A 20 6.339 5.085 -4.542 1.00 0.00 O ATOM 316 CB LEU A 20 4.551 5.690 -7.193 1.00 0.00 C ATOM 317 CG LEU A 20 4.179 5.252 -8.602 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.202 6.431 -9.539 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.109 4.159 -9.085 1.00 0.00 C ATOM 0 H LEU A 20 2.590 4.473 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 20 5.425 3.845 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.800 6.394 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.499 6.226 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 20 3.167 4.848 -8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.934 6.103 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.487 7.180 -9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.202 6.865 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.826 3.860 -10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.134 4.530 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.037 3.299 -8.419 1.00 0.00 H new ATOM 331 N ASP A 21 4.186 5.440 -3.975 1.00 0.00 N ATOM 332 CA ASP A 21 4.498 5.863 -2.611 1.00 0.00 C ATOM 333 C ASP A 21 4.771 4.649 -1.720 1.00 0.00 C ATOM 334 O ASP A 21 5.611 4.702 -0.820 1.00 0.00 O ATOM 335 CB ASP A 21 3.408 6.796 -2.043 1.00 0.00 C ATOM 336 CG ASP A 21 2.015 6.202 -1.922 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.863 5.119 -1.331 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.060 6.856 -2.402 1.00 0.00 O ATOM 0 H ASP A 21 3.193 5.468 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 21 5.414 6.454 -2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.725 7.132 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.350 7.681 -2.677 1.00 0.00 H new ATOM 343 N ILE A 22 4.113 3.539 -2.012 1.00 0.00 N ATOM 344 CA ILE A 22 4.421 2.274 -1.366 1.00 0.00 C ATOM 345 C ILE A 22 5.832 1.825 -1.714 1.00 0.00 C ATOM 346 O ILE A 22 6.562 1.312 -0.865 1.00 0.00 O ATOM 347 CB ILE A 22 3.400 1.197 -1.781 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.231 1.199 -0.804 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.033 -0.183 -1.879 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.086 0.306 -1.228 1.00 0.00 C ATOM 0 H ILE A 22 3.358 3.489 -2.696 1.00 0.00 H new ATOM 0 HA ILE A 22 4.360 2.416 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 22 3.033 1.441 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.586 0.879 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.863 2.219 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.277 -0.910 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.830 -0.166 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.447 -0.463 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.290 0.358 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.704 0.638 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.438 -0.722 -1.312 1.00 0.00 H new ATOM 362 N ASN A 23 6.220 2.044 -2.962 1.00 0.00 N ATOM 363 CA ASN A 23 7.538 1.649 -3.423 1.00 0.00 C ATOM 364 C ASN A 23 8.619 2.504 -2.756 1.00 0.00 C ATOM 365 O ASN A 23 9.792 2.130 -2.714 1.00 0.00 O ATOM 366 CB ASN A 23 7.607 1.780 -4.945 1.00 0.00 C ATOM 367 CG ASN A 23 8.903 1.247 -5.534 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.009 0.059 -5.840 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.884 2.117 -5.717 1.00 0.00 N ATOM 0 H ASN A 23 5.640 2.493 -3.671 1.00 0.00 H new ATOM 0 HA ASN A 23 7.716 0.609 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.767 1.245 -5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.496 2.829 -5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.767 1.811 -6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.756 3.093 -5.450 1.00 0.00 H new ATOM 376 N LYS A 24 8.205 3.650 -2.223 1.00 0.00 N ATOM 377 CA LYS A 24 9.108 4.556 -1.526 1.00 0.00 C ATOM 378 C LYS A 24 9.418 4.053 -0.120 1.00 0.00 C ATOM 379 O LYS A 24 10.421 4.439 0.480 1.00 0.00 O ATOM 380 CB LYS A 24 8.484 5.942 -1.439 1.00 0.00 C ATOM 381 CG LYS A 24 8.634 6.782 -2.697 1.00 0.00 C ATOM 382 CD LYS A 24 7.863 8.088 -2.575 1.00 0.00 C ATOM 383 CE LYS A 24 8.310 9.116 -3.602 1.00 0.00 C ATOM 384 NZ LYS A 24 9.730 9.513 -3.405 1.00 0.00 N ATOM 0 H LYS A 24 7.239 3.974 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 24 10.039 4.603 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.423 5.835 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.935 6.478 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.689 6.993 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.272 6.221 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.798 7.892 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.998 8.495 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.183 8.707 -4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.673 9.998 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.895 10.441 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.937 9.570 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.352 8.806 -3.846 1.00 0.00 H new ATOM 398 N LEU A 25 8.546 3.207 0.408 1.00 0.00 N ATOM 399 CA LEU A 25 8.729 2.654 1.742 1.00 0.00 C ATOM 400 C LEU A 25 9.864 1.637 1.774 1.00 0.00 C ATOM 401 O LEU A 25 9.998 0.817 0.863 1.00 0.00 O ATOM 402 CB LEU A 25 7.441 1.995 2.229 1.00 0.00 C ATOM 403 CG LEU A 25 6.290 2.950 2.518 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.239 2.232 3.323 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.776 4.163 3.277 1.00 0.00 C ATOM 0 H LEU A 25 7.702 2.888 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 25 8.987 3.480 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.114 1.275 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.661 1.432 3.136 1.00 0.00 H new ATOM 0 HG LEU A 25 5.866 3.286 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.413 2.912 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.870 1.376 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.672 1.888 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.937 4.831 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.216 3.848 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.526 4.687 2.684 1.00 0.00 H new ATOM 417 N PRO A 26 10.709 1.685 2.820 1.00 0.00 N ATOM 418 CA PRO A 26 11.753 0.681 3.025 1.00 0.00 C ATOM 419 C PRO A 26 11.152 -0.660 3.437 1.00 0.00 C ATOM 420 O PRO A 26 10.014 -0.706 3.906 1.00 0.00 O ATOM 421 CB PRO A 26 12.604 1.261 4.159 1.00 0.00 C ATOM 422 CG PRO A 26 11.689 2.182 4.894 1.00 0.00 C ATOM 423 CD PRO A 26 10.716 2.720 3.874 1.00 0.00 C ATOM 0 HA PRO A 26 12.328 0.487 2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.981 0.474 4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.471 1.794 3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.164 1.654 5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.248 2.992 5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.724 2.862 4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.037 3.686 3.485 1.00 0.00 H new ATOM 431 N GLY A 27 11.925 -1.730 3.279 1.00 0.00 N ATOM 432 CA GLY A 27 11.428 -3.082 3.512 1.00 0.00 C ATOM 433 C GLY A 27 10.645 -3.237 4.805 1.00 0.00 C ATOM 434 O GLY A 27 9.521 -3.738 4.803 1.00 0.00 O ATOM 0 H GLY A 27 12.902 -1.686 2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.792 -3.373 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.272 -3.771 3.525 1.00 0.00 H new ATOM 438 N GLU A 28 11.224 -2.787 5.905 1.00 0.00 N ATOM 439 CA GLU A 28 10.597 -2.930 7.212 1.00 0.00 C ATOM 440 C GLU A 28 9.304 -2.118 7.316 1.00 0.00 C ATOM 441 O GLU A 28 8.307 -2.594 7.864 1.00 0.00 O ATOM 442 CB GLU A 28 11.563 -2.552 8.344 1.00 0.00 C ATOM 443 CG GLU A 28 12.659 -1.578 7.957 1.00 0.00 C ATOM 444 CD GLU A 28 13.744 -2.205 7.107 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.440 -3.118 7.595 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.897 -1.790 5.942 1.00 0.00 O ATOM 0 H GLU A 28 12.130 -2.318 5.921 1.00 0.00 H new ATOM 0 HA GLU A 28 10.339 -3.983 7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.987 -2.120 9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.026 -3.463 8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.218 -0.743 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.107 -1.168 8.862 1.00 0.00 H new ATOM 453 N LYS A 29 9.303 -0.908 6.765 1.00 0.00 N ATOM 454 CA LYS A 29 8.125 -0.047 6.845 1.00 0.00 C ATOM 455 C LYS A 29 7.049 -0.517 5.873 1.00 0.00 C ATOM 456 O LYS A 29 5.855 -0.332 6.103 1.00 0.00 O ATOM 457 CB LYS A 29 8.488 1.404 6.522 1.00 0.00 C ATOM 458 CG LYS A 29 8.816 2.276 7.727 1.00 0.00 C ATOM 459 CD LYS A 29 9.952 1.713 8.557 1.00 0.00 C ATOM 460 CE LYS A 29 10.774 2.822 9.190 1.00 0.00 C ATOM 461 NZ LYS A 29 9.955 3.699 10.069 1.00 0.00 N ATOM 0 H LYS A 29 10.094 -0.504 6.264 1.00 0.00 H new ATOM 0 HA LYS A 29 7.744 -0.104 7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.345 1.406 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.657 1.857 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.080 3.277 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.928 2.376 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.550 1.065 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.593 1.095 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.585 2.384 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.233 3.424 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.579 4.343 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.295 4.254 9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.417 3.114 10.739 1.00 0.00 H new ATOM 475 N LEU A 30 7.470 -1.149 4.795 1.00 0.00 N ATOM 476 CA LEU A 30 6.531 -1.621 3.798 1.00 0.00 C ATOM 477 C LEU A 30 5.958 -2.981 4.190 1.00 0.00 C ATOM 478 O LEU A 30 4.963 -3.433 3.628 1.00 0.00 O ATOM 479 CB LEU A 30 7.177 -1.592 2.401 1.00 0.00 C ATOM 480 CG LEU A 30 7.078 -2.845 1.537 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.331 -2.469 0.101 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.077 -3.900 1.983 1.00 0.00 C ATOM 0 H LEU A 30 8.449 -1.346 4.588 1.00 0.00 H new ATOM 0 HA LEU A 30 5.676 -0.947 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.731 -0.767 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.234 -1.357 2.527 1.00 0.00 H new ATOM 0 HG LEU A 30 6.079 -3.268 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.263 -3.358 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.587 -1.740 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.327 -2.036 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.983 -4.781 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.088 -3.501 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.877 -4.175 3.019 1.00 0.00 H new ATOM 494 N GLY A 31 6.564 -3.612 5.190 1.00 0.00 N ATOM 495 CA GLY A 31 5.948 -4.776 5.801 1.00 0.00 C ATOM 496 C GLY A 31 4.640 -4.405 6.484 1.00 0.00 C ATOM 497 O GLY A 31 3.823 -5.268 6.797 1.00 0.00 O ATOM 0 H GLY A 31 7.464 -3.341 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.763 -5.535 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.631 -5.214 6.529 1.00 0.00 H new ATOM 501 N ARG A 32 4.445 -3.107 6.731 1.00 0.00 N ATOM 502 CA ARG A 32 3.170 -2.616 7.245 1.00 0.00 C ATOM 503 C ARG A 32 2.088 -2.717 6.191 1.00 0.00 C ATOM 504 O ARG A 32 1.000 -3.195 6.476 1.00 0.00 O ATOM 505 CB ARG A 32 3.235 -1.158 7.658 1.00 0.00 C ATOM 506 CG ARG A 32 1.875 -0.630 8.158 1.00 0.00 C ATOM 507 CD ARG A 32 1.704 -0.706 9.672 1.00 0.00 C ATOM 508 NE ARG A 32 0.733 0.277 10.144 1.00 0.00 N ATOM 509 CZ ARG A 32 1.024 1.299 10.947 1.00 0.00 C ATOM 510 NH1 ARG A 32 2.271 1.498 11.365 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.061 2.126 11.328 1.00 0.00 N ATOM 0 H ARG A 32 5.150 -2.384 6.584 1.00 0.00 H new ATOM 0 HA ARG A 32 2.945 -3.239 8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.980 -1.038 8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.566 -0.557 6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.759 0.406 7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.077 -1.201 7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.378 -1.707 9.954 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.664 -0.535 10.158 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.234 0.174 9.838 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.015 0.865 11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.484 2.284 11.980 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.896 1.978 11.006 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.276 2.911 11.943 1.00 0.00 H new ATOM 525 N VAL A 33 2.369 -2.222 4.986 1.00 0.00 N ATOM 526 CA VAL A 33 1.365 -2.238 3.923 1.00 0.00 C ATOM 527 C VAL A 33 0.894 -3.656 3.676 1.00 0.00 C ATOM 528 O VAL A 33 -0.303 -3.907 3.598 1.00 0.00 O ATOM 529 CB VAL A 33 1.849 -1.609 2.595 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.092 -0.332 2.327 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.328 -1.303 2.603 1.00 0.00 C ATOM 0 H VAL A 33 3.266 -1.812 4.724 1.00 0.00 H new ATOM 0 HA VAL A 33 0.541 -1.617 4.275 1.00 0.00 H new ATOM 0 HB VAL A 33 1.661 -2.343 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.437 0.106 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.026 -0.549 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.265 0.371 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.614 -0.863 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.550 -0.601 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.889 -2.224 2.761 1.00 0.00 H new ATOM 541 N VAL A 34 1.844 -4.577 3.582 1.00 0.00 N ATOM 542 CA VAL A 34 1.530 -6.009 3.528 1.00 0.00 C ATOM 543 C VAL A 34 0.581 -6.391 4.672 1.00 0.00 C ATOM 544 O VAL A 34 -0.390 -7.099 4.457 1.00 0.00 O ATOM 545 CB VAL A 34 2.812 -6.905 3.583 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.047 -6.144 3.141 1.00 0.00 C ATOM 547 CG2 VAL A 34 3.033 -7.523 4.955 1.00 0.00 C ATOM 0 H VAL A 34 2.841 -4.363 3.541 1.00 0.00 H new ATOM 0 HA VAL A 34 1.044 -6.190 2.570 1.00 0.00 H new ATOM 0 HB VAL A 34 2.640 -7.721 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.916 -6.800 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.914 -5.798 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.200 -5.286 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.935 -8.134 4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.145 -6.732 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.177 -8.146 5.216 1.00 0.00 H new ATOM 557 N HIS A 35 0.844 -5.875 5.873 1.00 0.00 N ATOM 558 CA HIS A 35 0.047 -6.214 7.046 1.00 0.00 C ATOM 559 C HIS A 35 -1.336 -5.579 6.967 1.00 0.00 C ATOM 560 O HIS A 35 -2.338 -6.244 7.218 1.00 0.00 O ATOM 561 CB HIS A 35 0.763 -5.779 8.332 1.00 0.00 C ATOM 562 CG HIS A 35 -0.013 -6.069 9.583 1.00 0.00 C ATOM 563 ND1 HIS A 35 -0.036 -7.307 10.188 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.810 -5.273 10.337 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.812 -7.261 11.253 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.296 -6.038 11.368 1.00 0.00 N ATOM 0 H HIS A 35 1.604 -5.220 6.056 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.076 -7.297 7.067 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.728 -6.283 8.388 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.965 -4.709 8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.023 -4.229 10.159 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.017 -8.086 11.920 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.927 -5.715 12.102 1.00 0.00 H new ATOM 575 N ILE A 36 -1.387 -4.293 6.629 1.00 0.00 N ATOM 576 CA ILE A 36 -2.656 -3.598 6.448 1.00 0.00 C ATOM 577 C ILE A 36 -3.481 -4.315 5.398 1.00 0.00 C ATOM 578 O ILE A 36 -4.658 -4.597 5.589 1.00 0.00 O ATOM 579 CB ILE A 36 -2.446 -2.137 5.996 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.650 -1.380 7.056 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.793 -1.468 5.746 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.151 -0.031 6.602 1.00 0.00 C ATOM 0 H ILE A 36 -0.563 -3.712 6.475 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.171 -3.594 7.409 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.882 -2.124 5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.276 -1.246 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.798 -1.988 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.634 -0.438 5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.329 -2.010 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.380 -1.477 6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.596 0.443 7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.498 -0.156 5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.999 0.597 6.328 1.00 0.00 H new ATOM 594 N ILE A 37 -2.826 -4.620 4.299 1.00 0.00 N ATOM 595 CA ILE A 37 -3.434 -5.334 3.203 1.00 0.00 C ATOM 596 C ILE A 37 -3.904 -6.726 3.641 1.00 0.00 C ATOM 597 O ILE A 37 -5.086 -6.991 3.631 1.00 0.00 O ATOM 598 CB ILE A 37 -2.442 -5.401 2.031 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.390 -4.050 1.327 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.804 -6.504 1.066 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.140 -3.845 0.521 1.00 0.00 C ATOM 0 H ILE A 37 -1.848 -4.376 4.142 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.324 -4.799 2.872 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.452 -5.633 2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.256 -3.957 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.467 -3.258 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.083 -6.524 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.790 -7.462 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.801 -6.324 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.169 -2.864 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.271 -3.906 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.071 -4.616 -0.246 1.00 0.00 H new ATOM 613 N GLN A 38 -2.987 -7.588 4.065 1.00 0.00 N ATOM 614 CA GLN A 38 -3.335 -8.949 4.519 1.00 0.00 C ATOM 615 C GLN A 38 -4.453 -8.960 5.574 1.00 0.00 C ATOM 616 O GLN A 38 -5.248 -9.898 5.633 1.00 0.00 O ATOM 617 CB GLN A 38 -2.110 -9.652 5.114 1.00 0.00 C ATOM 618 CG GLN A 38 -1.013 -9.964 4.117 1.00 0.00 C ATOM 619 CD GLN A 38 0.178 -10.640 4.765 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.313 -10.464 4.336 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.074 -11.427 5.800 1.00 0.00 N ATOM 0 H GLN A 38 -1.990 -7.377 4.108 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.690 -9.476 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.697 -9.025 5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.433 -10.582 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.411 -10.608 3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.687 -9.041 3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.032 -11.548 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.690 -11.912 6.270 1.00 0.00 H new ATOM 630 N SER A 39 -4.497 -7.937 6.420 1.00 0.00 N ATOM 631 CA SER A 39 -5.492 -7.881 7.489 1.00 0.00 C ATOM 632 C SER A 39 -6.841 -7.403 6.964 1.00 0.00 C ATOM 633 O SER A 39 -7.878 -8.006 7.242 1.00 0.00 O ATOM 634 CB SER A 39 -5.008 -6.968 8.621 1.00 0.00 C ATOM 635 OG SER A 39 -4.747 -5.654 8.159 1.00 0.00 O ATOM 0 H SER A 39 -3.861 -7.140 6.389 1.00 0.00 H new ATOM 0 HA SER A 39 -5.621 -8.890 7.880 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.761 -6.934 9.408 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.103 -7.385 9.063 1.00 0.00 H new ATOM 0 HG SER A 39 -3.790 -5.558 7.970 1.00 0.00 H new ATOM 641 N ARG A 40 -6.820 -6.322 6.193 1.00 0.00 N ATOM 642 CA ARG A 40 -8.039 -5.758 5.627 1.00 0.00 C ATOM 643 C ARG A 40 -8.526 -6.615 4.473 1.00 0.00 C ATOM 644 O ARG A 40 -9.713 -6.635 4.147 1.00 0.00 O ATOM 645 CB ARG A 40 -7.783 -4.316 5.178 1.00 0.00 C ATOM 646 CG ARG A 40 -7.429 -3.421 6.340 1.00 0.00 C ATOM 647 CD ARG A 40 -7.097 -2.013 5.906 1.00 0.00 C ATOM 648 NE ARG A 40 -8.289 -1.175 5.818 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.391 0.029 6.383 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.360 0.557 7.029 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.533 0.694 6.326 1.00 0.00 N ATOM 0 H ARG A 40 -5.969 -5.817 5.945 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.820 -5.746 6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.974 -4.301 4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.670 -3.928 4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.263 -3.394 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.578 -3.844 6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.394 -1.572 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.600 -2.040 4.936 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.089 -1.530 5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.482 0.042 7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.445 1.478 7.459 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.337 0.286 5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.609 1.615 6.759 1.00 0.00 H new ATOM 665 N GLU A 41 -7.593 -7.327 3.876 1.00 0.00 N ATOM 666 CA GLU A 41 -7.876 -8.271 2.813 1.00 0.00 C ATOM 667 C GLU A 41 -7.547 -9.679 3.293 1.00 0.00 C ATOM 668 O GLU A 41 -6.505 -10.227 2.931 1.00 0.00 O ATOM 669 CB GLU A 41 -7.009 -7.971 1.595 1.00 0.00 C ATOM 670 CG GLU A 41 -6.884 -6.500 1.259 1.00 0.00 C ATOM 671 CD GLU A 41 -8.180 -5.885 0.758 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.959 -6.593 0.091 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.437 -4.693 1.047 1.00 0.00 O ATOM 0 H GLU A 41 -6.604 -7.266 4.118 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.929 -8.189 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.012 -8.378 1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.423 -8.494 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.552 -5.959 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.112 -6.372 0.500 1.00 0.00 H new ATOM 680 N PRO A 42 -8.416 -10.309 4.098 1.00 0.00 N ATOM 681 CA PRO A 42 -8.097 -11.603 4.698 1.00 0.00 C ATOM 682 C PRO A 42 -8.112 -12.705 3.658 1.00 0.00 C ATOM 683 O PRO A 42 -7.661 -13.824 3.892 1.00 0.00 O ATOM 684 CB PRO A 42 -9.208 -11.791 5.722 1.00 0.00 C ATOM 685 CG PRO A 42 -10.364 -11.049 5.153 1.00 0.00 C ATOM 686 CD PRO A 42 -9.777 -9.855 4.456 1.00 0.00 C ATOM 0 HA PRO A 42 -7.101 -11.639 5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.444 -12.846 5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.922 -11.395 6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.925 -11.672 4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.057 -10.743 5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.355 -9.579 3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.752 -8.981 5.107 1.00 0.00 H new ATOM 694 N SER A 43 -8.641 -12.359 2.506 1.00 0.00 N ATOM 695 CA SER A 43 -8.627 -13.230 1.348 1.00 0.00 C ATOM 696 C SER A 43 -7.193 -13.540 0.920 1.00 0.00 C ATOM 697 O SER A 43 -6.919 -14.604 0.369 1.00 0.00 O ATOM 698 CB SER A 43 -9.386 -12.562 0.204 1.00 0.00 C ATOM 699 OG SER A 43 -10.635 -12.070 0.656 1.00 0.00 O ATOM 0 H SER A 43 -9.096 -11.461 2.343 1.00 0.00 H new ATOM 0 HA SER A 43 -9.113 -14.171 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.793 -11.744 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.541 -13.277 -0.604 1.00 0.00 H new ATOM 0 HG SER A 43 -11.108 -11.644 -0.089 1.00 0.00 H new ATOM 705 N LEU A 44 -6.272 -12.617 1.189 1.00 0.00 N ATOM 706 CA LEU A 44 -4.881 -12.808 0.803 1.00 0.00 C ATOM 707 C LEU A 44 -3.989 -13.030 2.024 1.00 0.00 C ATOM 708 O LEU A 44 -2.779 -12.821 1.970 1.00 0.00 O ATOM 709 CB LEU A 44 -4.384 -11.634 -0.064 1.00 0.00 C ATOM 710 CG LEU A 44 -4.457 -10.240 0.538 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.134 -9.859 1.166 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.839 -9.233 -0.534 1.00 0.00 C ATOM 0 H LEU A 44 -6.464 -11.738 1.669 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.821 -13.712 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.346 -11.830 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.959 -11.632 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.219 -10.237 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.208 -8.858 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.887 -10.570 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.353 -9.874 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.889 -8.236 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.090 -9.243 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.811 -9.496 -0.950 1.00 0.00 H new ATOM 724 N LYS A 45 -4.584 -13.495 3.123 1.00 0.00 N ATOM 725 CA LYS A 45 -3.810 -13.848 4.314 1.00 0.00 C ATOM 726 C LYS A 45 -2.986 -15.109 4.047 1.00 0.00 C ATOM 727 O LYS A 45 -2.121 -15.481 4.840 1.00 0.00 O ATOM 728 CB LYS A 45 -4.718 -14.060 5.531 1.00 0.00 C ATOM 729 CG LYS A 45 -5.562 -15.324 5.470 1.00 0.00 C ATOM 730 CD LYS A 45 -6.409 -15.509 6.723 1.00 0.00 C ATOM 731 CE LYS A 45 -5.571 -15.985 7.899 1.00 0.00 C ATOM 732 NZ LYS A 45 -4.903 -14.871 8.629 1.00 0.00 N ATOM 0 H LYS A 45 -5.590 -13.635 3.214 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.140 -13.018 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.101 -14.092 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.380 -13.200 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.212 -15.283 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.911 -16.189 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.893 -14.566 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.201 -16.231 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.207 -16.536 8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.814 -16.682 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.875 -14.929 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.252 -13.960 8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.115 -14.945 9.644 1.00 0.00 H new ATOM 746 N ASN A 46 -3.276 -15.771 2.925 1.00 0.00 N ATOM 747 CA ASN A 46 -2.495 -16.919 2.475 1.00 0.00 C ATOM 748 C ASN A 46 -1.120 -16.473 1.994 1.00 0.00 C ATOM 749 O ASN A 46 -0.198 -17.276 1.863 1.00 0.00 O ATOM 750 CB ASN A 46 -3.234 -17.656 1.337 1.00 0.00 C ATOM 751 CG ASN A 46 -3.702 -16.728 0.223 1.00 0.00 C ATOM 752 OD1 ASN A 46 -3.083 -15.703 -0.068 1.00 0.00 O ATOM 753 ND2 ASN A 46 -4.808 -17.080 -0.407 1.00 0.00 N ATOM 0 H ASN A 46 -4.052 -15.527 2.310 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.369 -17.600 3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.574 -18.414 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.096 -18.179 1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.174 -16.497 -1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.296 -17.935 -0.141 1.00 0.00 H new ATOM 760 N SER A 47 -0.999 -15.182 1.734 1.00 0.00 N ATOM 761 CA SER A 47 0.229 -14.614 1.220 1.00 0.00 C ATOM 762 C SER A 47 1.191 -14.292 2.358 1.00 0.00 C ATOM 763 O SER A 47 0.774 -13.878 3.442 1.00 0.00 O ATOM 764 CB SER A 47 -0.092 -13.359 0.410 1.00 0.00 C ATOM 765 OG SER A 47 -0.944 -13.669 -0.682 1.00 0.00 O ATOM 0 H SER A 47 -1.748 -14.503 1.874 1.00 0.00 H new ATOM 0 HA SER A 47 0.715 -15.342 0.570 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.570 -12.619 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.831 -12.912 0.041 1.00 0.00 H new ATOM 0 HG SER A 47 -1.645 -14.286 -0.385 1.00 0.00 H new ATOM 771 N ASN A 48 2.475 -14.504 2.108 1.00 0.00 N ATOM 772 CA ASN A 48 3.505 -14.244 3.106 1.00 0.00 C ATOM 773 C ASN A 48 3.863 -12.768 3.106 1.00 0.00 C ATOM 774 O ASN A 48 3.986 -12.152 2.050 1.00 0.00 O ATOM 775 CB ASN A 48 4.756 -15.075 2.819 1.00 0.00 C ATOM 776 CG ASN A 48 4.507 -16.575 2.878 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.106 -17.345 2.127 1.00 0.00 O ATOM 778 ND2 ASN A 48 3.633 -17.002 3.777 1.00 0.00 N ATOM 0 H ASN A 48 2.830 -14.857 1.219 1.00 0.00 H new ATOM 0 HA ASN A 48 3.115 -14.524 4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.138 -14.815 1.832 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.531 -14.813 3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.437 -17.999 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.156 -16.334 4.382 1.00 0.00 H new ATOM 785 N PRO A 49 4.041 -12.190 4.302 1.00 0.00 N ATOM 786 CA PRO A 49 4.280 -10.752 4.473 1.00 0.00 C ATOM 787 C PRO A 49 5.564 -10.261 3.811 1.00 0.00 C ATOM 788 O PRO A 49 5.693 -9.081 3.492 1.00 0.00 O ATOM 789 CB PRO A 49 4.359 -10.575 5.992 1.00 0.00 C ATOM 790 CG PRO A 49 4.659 -11.926 6.531 1.00 0.00 C ATOM 791 CD PRO A 49 4.001 -12.894 5.594 1.00 0.00 C ATOM 0 HA PRO A 49 3.493 -10.167 3.997 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.137 -9.862 6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.420 -10.192 6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.734 -12.098 6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.272 -12.038 7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.537 -13.842 5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.979 -13.118 5.899 1.00 0.00 H new ATOM 799 N ASP A 50 6.510 -11.162 3.602 1.00 0.00 N ATOM 800 CA ASP A 50 7.765 -10.794 2.955 1.00 0.00 C ATOM 801 C ASP A 50 7.684 -11.005 1.452 1.00 0.00 C ATOM 802 O ASP A 50 8.652 -10.749 0.734 1.00 0.00 O ATOM 803 CB ASP A 50 8.940 -11.593 3.520 1.00 0.00 C ATOM 804 CG ASP A 50 9.317 -11.168 4.926 1.00 0.00 C ATOM 805 OD1 ASP A 50 10.160 -10.259 5.076 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.780 -11.753 5.890 1.00 0.00 O ATOM 0 H ASP A 50 6.438 -12.144 3.867 1.00 0.00 H new ATOM 0 HA ASP A 50 7.933 -9.736 3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.686 -12.653 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.803 -11.473 2.865 1.00 0.00 H new ATOM 811 N GLU A 51 6.531 -11.460 0.975 1.00 0.00 N ATOM 812 CA GLU A 51 6.350 -11.731 -0.446 1.00 0.00 C ATOM 813 C GLU A 51 4.971 -11.279 -0.888 1.00 0.00 C ATOM 814 O GLU A 51 4.387 -11.845 -1.815 1.00 0.00 O ATOM 815 CB GLU A 51 6.522 -13.222 -0.759 1.00 0.00 C ATOM 816 CG GLU A 51 7.864 -13.809 -0.349 1.00 0.00 C ATOM 817 CD GLU A 51 8.054 -15.209 -0.884 1.00 0.00 C ATOM 818 OE1 GLU A 51 8.569 -15.355 -2.009 1.00 0.00 O ATOM 819 OE2 GLU A 51 7.674 -16.172 -0.189 1.00 0.00 O ATOM 0 H GLU A 51 5.710 -11.649 1.550 1.00 0.00 H new ATOM 0 HA GLU A 51 7.114 -11.176 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.730 -13.778 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.388 -13.372 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.667 -13.169 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.937 -13.823 0.738 1.00 0.00 H new ATOM 826 N ILE A 52 4.442 -10.275 -0.207 1.00 0.00 N ATOM 827 CA ILE A 52 3.088 -9.829 -0.463 1.00 0.00 C ATOM 828 C ILE A 52 2.948 -9.265 -1.862 1.00 0.00 C ATOM 829 O ILE A 52 3.903 -8.759 -2.456 1.00 0.00 O ATOM 830 CB ILE A 52 2.608 -8.803 0.590 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.106 -8.946 0.817 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.924 -7.383 0.164 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.700 -10.312 1.272 1.00 0.00 C ATOM 0 H ILE A 52 4.930 -9.757 0.524 1.00 0.00 H new ATOM 0 HA ILE A 52 2.446 -10.707 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 52 3.140 -9.008 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.787 -8.214 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.582 -8.709 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.573 -6.688 0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.001 -7.272 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.425 -7.167 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.380 -10.342 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.988 -11.047 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.196 -10.544 2.214 1.00 0.00 H new ATOM 845 N GLU A 53 1.755 -9.392 -2.388 1.00 0.00 N ATOM 846 CA GLU A 53 1.444 -8.874 -3.703 1.00 0.00 C ATOM 847 C GLU A 53 0.343 -7.837 -3.534 1.00 0.00 C ATOM 848 O GLU A 53 -0.837 -8.180 -3.453 1.00 0.00 O ATOM 849 CB GLU A 53 0.985 -10.029 -4.623 1.00 0.00 C ATOM 850 CG GLU A 53 0.999 -9.721 -6.112 1.00 0.00 C ATOM 851 CD GLU A 53 2.402 -9.530 -6.648 1.00 0.00 C ATOM 852 OE1 GLU A 53 3.286 -10.346 -6.306 1.00 0.00 O ATOM 853 OE2 GLU A 53 2.617 -8.604 -7.447 1.00 0.00 O ATOM 0 H GLU A 53 0.974 -9.854 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 53 2.318 -8.414 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.626 -10.892 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.027 -10.318 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.514 -10.533 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.415 -8.820 -6.299 1.00 0.00 H new ATOM 860 N ILE A 54 0.732 -6.569 -3.435 1.00 0.00 N ATOM 861 CA ILE A 54 -0.224 -5.500 -3.272 1.00 0.00 C ATOM 862 C ILE A 54 -1.004 -5.300 -4.565 1.00 0.00 C ATOM 863 O ILE A 54 -0.499 -4.711 -5.524 1.00 0.00 O ATOM 864 CB ILE A 54 0.473 -4.181 -2.909 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.364 -4.339 -1.676 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.553 -3.092 -2.683 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.949 -3.023 -1.209 1.00 0.00 C ATOM 0 H ILE A 54 1.705 -6.266 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.898 -5.779 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 54 1.112 -3.899 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.783 -4.782 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.174 -5.032 -1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.046 -2.162 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.137 -2.948 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.216 -3.381 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.573 -3.193 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.554 -2.591 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.142 -2.337 -0.953 1.00 0.00 H new ATOM 879 N ASP A 55 -2.220 -5.805 -4.591 1.00 0.00 N ATOM 880 CA ASP A 55 -3.068 -5.676 -5.764 1.00 0.00 C ATOM 881 C ASP A 55 -4.105 -4.592 -5.526 1.00 0.00 C ATOM 882 O ASP A 55 -5.115 -4.818 -4.864 1.00 0.00 O ATOM 883 CB ASP A 55 -3.751 -7.007 -6.085 1.00 0.00 C ATOM 884 CG ASP A 55 -4.601 -6.922 -7.332 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.740 -6.425 -7.243 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.131 -7.345 -8.408 1.00 0.00 O ATOM 0 H ASP A 55 -2.646 -6.310 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.450 -5.399 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.994 -7.781 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.373 -7.308 -5.242 1.00 0.00 H new ATOM 891 N PHE A 56 -3.852 -3.417 -6.081 1.00 0.00 N ATOM 892 CA PHE A 56 -4.647 -2.229 -5.781 1.00 0.00 C ATOM 893 C PHE A 56 -6.057 -2.293 -6.366 1.00 0.00 C ATOM 894 O PHE A 56 -6.891 -1.433 -6.082 1.00 0.00 O ATOM 895 CB PHE A 56 -3.924 -0.986 -6.286 1.00 0.00 C ATOM 896 CG PHE A 56 -2.576 -0.803 -5.652 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.465 -0.231 -4.401 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.427 -1.214 -6.295 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.249 -0.067 -3.798 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.197 -1.051 -5.695 1.00 0.00 C ATOM 901 CZ PHE A 56 -0.110 -0.474 -4.441 1.00 0.00 C ATOM 0 H PHE A 56 -3.097 -3.257 -6.747 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.760 -2.182 -4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.806 -1.053 -7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.537 -0.107 -6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.358 0.094 -3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.492 -1.666 -7.274 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.187 0.382 -2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.699 -1.374 -6.204 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.853 -0.345 -3.970 1.00 0.00 H new ATOM 911 N GLU A 57 -6.326 -3.308 -7.170 1.00 0.00 N ATOM 912 CA GLU A 57 -7.644 -3.481 -7.755 1.00 0.00 C ATOM 913 C GLU A 57 -8.539 -4.286 -6.822 1.00 0.00 C ATOM 914 O GLU A 57 -9.751 -4.071 -6.761 1.00 0.00 O ATOM 915 CB GLU A 57 -7.526 -4.172 -9.110 1.00 0.00 C ATOM 916 CG GLU A 57 -6.900 -3.294 -10.179 1.00 0.00 C ATOM 917 CD GLU A 57 -7.734 -2.068 -10.485 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.643 -1.074 -9.740 1.00 0.00 O ATOM 919 OE2 GLU A 57 -8.484 -2.089 -11.485 1.00 0.00 O ATOM 0 H GLU A 57 -5.649 -4.024 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.096 -2.500 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.929 -5.077 -8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.518 -4.483 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.908 -2.982 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.768 -3.876 -11.091 1.00 0.00 H new ATOM 926 N THR A 58 -7.937 -5.213 -6.097 1.00 0.00 N ATOM 927 CA THR A 58 -8.674 -6.016 -5.142 1.00 0.00 C ATOM 928 C THR A 58 -8.623 -5.393 -3.750 1.00 0.00 C ATOM 929 O THR A 58 -9.479 -5.674 -2.909 1.00 0.00 O ATOM 930 CB THR A 58 -8.148 -7.461 -5.100 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.727 -7.463 -4.928 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.505 -8.203 -6.378 1.00 0.00 C ATOM 0 H THR A 58 -6.941 -5.427 -6.153 1.00 0.00 H new ATOM 0 HA THR A 58 -9.713 -6.043 -5.472 1.00 0.00 H new ATOM 0 HB THR A 58 -8.617 -7.968 -4.257 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.301 -7.070 -5.719 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.123 -9.222 -6.326 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.589 -8.227 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.060 -7.692 -7.232 1.00 0.00 H new ATOM 940 N LEU A 59 -7.618 -4.551 -3.506 1.00 0.00 N ATOM 941 CA LEU A 59 -7.555 -3.783 -2.272 1.00 0.00 C ATOM 942 C LEU A 59 -8.745 -2.858 -2.182 1.00 0.00 C ATOM 943 O LEU A 59 -9.030 -2.100 -3.114 1.00 0.00 O ATOM 944 CB LEU A 59 -6.273 -2.979 -2.186 1.00 0.00 C ATOM 945 CG LEU A 59 -5.020 -3.827 -2.126 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.796 -2.959 -1.984 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.118 -4.817 -0.983 1.00 0.00 C ATOM 0 H LEU A 59 -6.841 -4.387 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.571 -4.484 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.212 -2.318 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.313 -2.344 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.928 -4.383 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.907 -3.588 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.726 -2.287 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.869 -2.374 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.212 -5.423 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.231 -4.277 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.982 -5.464 -1.135 1.00 0.00 H new ATOM 959 N LYS A 60 -9.455 -2.945 -1.081 1.00 0.00 N ATOM 960 CA LYS A 60 -10.608 -2.102 -0.869 1.00 0.00 C ATOM 961 C LYS A 60 -10.174 -0.658 -0.678 1.00 0.00 C ATOM 962 O LYS A 60 -9.104 -0.416 -0.115 1.00 0.00 O ATOM 963 CB LYS A 60 -11.405 -2.596 0.335 1.00 0.00 C ATOM 964 CG LYS A 60 -12.142 -3.897 0.064 1.00 0.00 C ATOM 965 CD LYS A 60 -12.838 -4.430 1.305 1.00 0.00 C ATOM 966 CE LYS A 60 -11.945 -5.371 2.102 1.00 0.00 C ATOM 967 NZ LYS A 60 -10.680 -4.725 2.541 1.00 0.00 N ATOM 0 H LYS A 60 -9.254 -3.592 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.251 -2.151 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.729 -2.736 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.124 -1.831 0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.878 -3.738 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.437 -4.642 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.140 -3.595 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.748 -4.955 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.489 -5.728 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.710 -6.245 1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.181 -5.353 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.077 -4.545 1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.896 -3.824 3.014 1.00 0.00 H new ATOM 981 N PRO A 61 -10.953 0.312 -1.186 1.00 0.00 N ATOM 982 CA PRO A 61 -10.651 1.737 -1.040 1.00 0.00 C ATOM 983 C PRO A 61 -10.135 2.099 0.350 1.00 0.00 C ATOM 984 O PRO A 61 -9.194 2.887 0.494 1.00 0.00 O ATOM 985 CB PRO A 61 -12.003 2.393 -1.294 1.00 0.00 C ATOM 986 CG PRO A 61 -12.678 1.493 -2.264 1.00 0.00 C ATOM 987 CD PRO A 61 -12.173 0.096 -1.988 1.00 0.00 C ATOM 0 HA PRO A 61 -9.858 2.058 -1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.578 2.486 -0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.886 3.398 -1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.761 1.542 -2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.453 1.790 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.910 -0.495 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.954 -0.440 -2.912 1.00 0.00 H new ATOM 995 N SER A 62 -10.739 1.491 1.360 1.00 0.00 N ATOM 996 CA SER A 62 -10.367 1.726 2.743 1.00 0.00 C ATOM 997 C SER A 62 -8.896 1.362 2.982 1.00 0.00 C ATOM 998 O SER A 62 -8.158 2.133 3.601 1.00 0.00 O ATOM 999 CB SER A 62 -11.290 0.906 3.666 1.00 0.00 C ATOM 1000 OG SER A 62 -11.107 -0.484 3.457 1.00 0.00 O ATOM 0 H SER A 62 -11.500 0.822 1.242 1.00 0.00 H new ATOM 0 HA SER A 62 -10.485 2.786 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.082 1.152 4.707 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.330 1.173 3.477 1.00 0.00 H new ATOM 0 HG SER A 62 -11.701 -0.986 4.054 1.00 0.00 H new ATOM 1006 N THR A 63 -8.465 0.200 2.483 1.00 0.00 N ATOM 1007 CA THR A 63 -7.070 -0.205 2.607 1.00 0.00 C ATOM 1008 C THR A 63 -6.187 0.764 1.843 1.00 0.00 C ATOM 1009 O THR A 63 -5.206 1.252 2.376 1.00 0.00 O ATOM 1010 CB THR A 63 -6.824 -1.639 2.074 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.952 -2.470 2.389 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.559 -2.251 2.682 1.00 0.00 C ATOM 0 H THR A 63 -9.060 -0.469 1.994 1.00 0.00 H new ATOM 0 HA THR A 63 -6.824 -0.195 3.669 1.00 0.00 H new ATOM 0 HB THR A 63 -6.691 -1.579 0.994 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.857 -3.335 1.939 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.415 -3.257 2.287 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.697 -1.634 2.426 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.662 -2.298 3.766 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.578 1.069 0.611 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.798 1.940 -0.261 1.00 0.00 C ATOM 1022 C LEU A 64 -5.545 3.295 0.383 1.00 0.00 C ATOM 1023 O LEU A 64 -4.420 3.790 0.374 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.520 2.122 -1.592 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.703 0.850 -2.406 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.643 1.110 -3.563 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.361 0.350 -2.902 1.00 0.00 C ATOM 0 H LEU A 64 -7.440 0.722 0.190 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.831 1.466 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.501 2.556 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.965 2.843 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.141 0.078 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.770 0.195 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.611 1.434 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.227 1.889 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.504 -0.561 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.898 1.112 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.714 0.139 -2.051 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.586 3.888 0.948 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.452 5.170 1.619 1.00 0.00 C ATOM 1041 C ARG A 65 -5.569 5.044 2.854 1.00 0.00 C ATOM 1042 O ARG A 65 -4.860 5.981 3.213 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.823 5.727 1.991 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.655 6.159 0.791 1.00 0.00 C ATOM 1045 CD ARG A 65 -7.995 7.300 0.030 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.782 7.725 -1.125 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.320 8.539 -2.079 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.104 9.061 -1.986 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.077 8.841 -3.125 1.00 0.00 N ATOM 0 H ARG A 65 -7.530 3.502 0.955 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.974 5.867 0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.373 4.970 2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.690 6.580 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.798 5.310 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.644 6.470 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.853 8.147 0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.005 6.987 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.739 7.381 -1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.515 8.842 -1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.758 9.681 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.016 8.452 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.720 9.463 -3.850 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.599 3.877 3.487 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.731 3.603 4.619 1.00 0.00 C ATOM 1065 C GLU A 66 -3.284 3.462 4.149 1.00 0.00 C ATOM 1066 O GLU A 66 -2.405 4.140 4.659 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.189 2.334 5.337 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.258 1.882 6.448 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.180 2.866 7.598 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.158 2.959 8.371 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.145 3.543 7.741 1.00 0.00 O ATOM 0 H GLU A 66 -6.217 3.106 3.233 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.788 4.436 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.181 2.504 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.284 1.530 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.595 0.917 6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.259 1.732 6.038 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.057 2.577 3.176 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.736 2.390 2.567 1.00 0.00 C ATOM 1080 C LEU A 67 -1.129 3.745 2.195 1.00 0.00 C ATOM 1081 O LEU A 67 -0.013 4.060 2.601 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.856 1.490 1.321 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.754 0.269 1.498 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.937 -0.445 0.184 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.168 -0.687 2.519 1.00 0.00 C ATOM 0 H LEU A 67 -3.780 1.971 2.788 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.077 1.904 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.238 2.088 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.859 1.152 1.037 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.724 0.615 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.580 -1.313 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.397 0.231 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.967 -0.770 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.825 -1.550 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.185 -1.019 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.072 -0.180 3.479 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.898 4.554 1.468 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.465 5.891 1.064 1.00 0.00 C ATOM 1099 C GLU A 68 -1.128 6.756 2.286 1.00 0.00 C ATOM 1100 O GLU A 68 0.004 7.189 2.465 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.567 6.576 0.252 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.183 7.952 -0.263 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.371 8.740 -0.774 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.174 9.222 0.057 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.505 8.893 -2.003 1.00 0.00 O ATOM 0 H GLU A 68 -2.832 4.304 1.144 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.568 5.782 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.829 5.942 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.459 6.666 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.698 8.512 0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.452 7.844 -1.065 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.121 6.995 3.133 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.946 7.825 4.327 1.00 0.00 C ATOM 1114 C ARG A 69 -0.836 7.296 5.225 1.00 0.00 C ATOM 1115 O ARG A 69 -0.175 8.055 5.942 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.255 7.876 5.093 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.214 8.941 4.596 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.075 10.231 5.386 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.708 10.748 5.368 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.180 11.485 6.344 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -2.922 11.853 7.381 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -0.909 11.857 6.276 1.00 0.00 N ATOM 0 H ARG A 69 -3.064 6.624 3.017 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.658 8.827 4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.742 6.903 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.042 8.055 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.025 9.138 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.238 8.575 4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.750 10.981 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.382 10.058 6.417 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.124 10.532 4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.901 11.571 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.513 12.417 8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.338 11.579 5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.502 12.421 7.022 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.613 6.003 5.170 1.00 0.00 N ATOM 1137 CA TYR A 70 0.426 5.390 5.954 1.00 0.00 C ATOM 1138 C TYR A 70 1.788 5.796 5.416 1.00 0.00 C ATOM 1139 O TYR A 70 2.640 6.292 6.159 1.00 0.00 O ATOM 1140 CB TYR A 70 0.294 3.875 5.943 1.00 0.00 C ATOM 1141 CG TYR A 70 1.522 3.210 6.473 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.949 3.426 7.777 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.278 2.406 5.652 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.104 2.845 8.246 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.434 1.825 6.106 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.847 2.046 7.409 1.00 0.00 C ATOM 1147 OH TYR A 70 5.008 1.473 7.871 1.00 0.00 O ATOM 0 H TYR A 70 -1.142 5.355 4.586 1.00 0.00 H new ATOM 0 HA TYR A 70 0.327 5.734 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.567 3.580 6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.106 3.533 4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.367 4.058 8.431 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.957 2.230 4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.425 3.015 9.263 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.020 1.198 5.450 1.00 0.00 H new ATOM 0 HH TYR A 70 5.203 0.665 7.352 1.00 0.00 H new ATOM 1157 N VAL A 71 1.990 5.613 4.118 1.00 0.00 N ATOM 1158 CA VAL A 71 3.262 5.951 3.515 1.00 0.00 C ATOM 1159 C VAL A 71 3.535 7.430 3.706 1.00 0.00 C ATOM 1160 O VAL A 71 4.667 7.830 3.911 1.00 0.00 O ATOM 1161 CB VAL A 71 3.330 5.638 2.006 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.849 4.242 1.688 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.556 6.648 1.203 1.00 0.00 C ATOM 0 H VAL A 71 1.295 5.237 3.473 1.00 0.00 H new ATOM 0 HA VAL A 71 4.010 5.335 4.013 1.00 0.00 H new ATOM 0 HB VAL A 71 4.382 5.698 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.916 4.070 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.470 3.515 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.813 4.132 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.623 6.400 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.511 6.636 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.972 7.642 1.370 1.00 0.00 H new ATOM 1173 N THR A 72 2.476 8.240 3.679 1.00 0.00 N ATOM 1174 CA THR A 72 2.637 9.681 3.748 1.00 0.00 C ATOM 1175 C THR A 72 3.225 10.101 5.085 1.00 0.00 C ATOM 1176 O THR A 72 3.884 11.132 5.183 1.00 0.00 O ATOM 1177 CB THR A 72 1.322 10.436 3.485 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.341 10.138 4.482 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.796 10.060 2.120 1.00 0.00 C ATOM 0 H THR A 72 1.510 7.921 3.610 1.00 0.00 H new ATOM 0 HA THR A 72 3.332 9.952 2.953 1.00 0.00 H new ATOM 0 HB THR A 72 1.525 11.506 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.625 9.353 4.996 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.136 10.593 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.530 10.329 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.614 8.986 2.083 1.00 0.00 H new ATOM 1187 N SER A 73 3.010 9.276 6.105 1.00 0.00 N ATOM 1188 CA SER A 73 3.575 9.531 7.418 1.00 0.00 C ATOM 1189 C SER A 73 5.094 9.326 7.377 1.00 0.00 C ATOM 1190 O SER A 73 5.833 9.889 8.182 1.00 0.00 O ATOM 1191 CB SER A 73 2.922 8.614 8.460 1.00 0.00 C ATOM 1192 OG SER A 73 3.439 7.293 8.401 1.00 0.00 O ATOM 0 H SER A 73 2.448 8.427 6.044 1.00 0.00 H new ATOM 0 HA SER A 73 3.375 10.563 7.705 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.085 9.023 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.844 8.590 8.298 1.00 0.00 H new ATOM 0 HG SER A 73 3.385 6.961 7.480 1.00 0.00 H new ATOM 1198 N CYS A 74 5.538 8.507 6.424 1.00 0.00 N ATOM 1199 CA CYS A 74 6.962 8.217 6.240 1.00 0.00 C ATOM 1200 C CYS A 74 7.572 9.032 5.091 1.00 0.00 C ATOM 1201 O CYS A 74 8.781 9.284 5.061 1.00 0.00 O ATOM 1202 CB CYS A 74 7.161 6.717 5.983 1.00 0.00 C ATOM 1203 SG CYS A 74 8.859 6.249 5.588 1.00 0.00 S ATOM 0 H CYS A 74 4.927 8.029 5.762 1.00 0.00 H new ATOM 0 HA CYS A 74 7.478 8.505 7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.840 6.164 6.865 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.512 6.412 5.162 1.00 0.00 H new ATOM 0 HG CYS A 74 9.522 7.301 5.208 1.00 0.00 H new ATOM 1209 N LEU A 75 6.737 9.413 4.135 1.00 0.00 N ATOM 1210 CA LEU A 75 7.203 10.042 2.908 1.00 0.00 C ATOM 1211 C LEU A 75 6.999 11.549 2.913 1.00 0.00 C ATOM 1212 O LEU A 75 7.934 12.315 2.692 1.00 0.00 O ATOM 1213 CB LEU A 75 6.453 9.443 1.725 1.00 0.00 C ATOM 1214 CG LEU A 75 6.523 7.929 1.611 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.950 7.495 0.280 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.957 7.443 1.774 1.00 0.00 C ATOM 0 H LEU A 75 5.725 9.296 4.187 1.00 0.00 H new ATOM 0 HA LEU A 75 8.274 9.855 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.406 9.738 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.848 9.879 0.807 1.00 0.00 H new ATOM 0 HG LEU A 75 5.931 7.482 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.000 6.409 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.911 7.816 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.525 7.946 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.985 6.357 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.581 7.884 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.333 7.740 2.753 1.00 0.00 H new