USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 593 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot -15:sc= 0.0338 USER MOD Single : A 15 LYS NZ :NH3+ -121:sc= -0.0441 (180deg=-0.399) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0.975 (180deg=0.951) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.472 USER MOD Single : A 27 TYR OH : rot 40:sc= 0 USER MOD Single : A 28 SER OG : rot 45:sc= 0.313 USER MOD Single : A 29 THR OG1 : rot 160:sc= -0.686 USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= 0.0607 (180deg=-0.524) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -121:sc= -0.445! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0225) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.43) USER MOD Single : A 58 THR OG1 : rot 52:sc= 0.14 USER MOD Single : A 59 THR OG1 : rot -147:sc= 0.139 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -2.16 (180deg=-5.73!) USER MOD Single : A 66 CYS SG : rot 180:sc= -5.6! USER MOD Single : A 68 ASN : amide:sc= -8.04! C(o=-8!,f=-5.3!) USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.858) USER MOD Single : A 73 TYR OH : rot 80:sc= -3.58! USER MOD Single : A 75 TYR OH : rot 91:sc= 1.22 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.123 -10.109 7.696 1.00 0.00 N ATOM 103 CA PHE A 13 3.992 -9.835 6.275 1.00 0.00 C ATOM 104 C PHE A 13 5.053 -10.589 5.471 1.00 0.00 C ATOM 105 O PHE A 13 4.734 -11.260 4.491 1.00 0.00 O ATOM 106 CB PHE A 13 4.200 -8.331 6.088 1.00 0.00 C ATOM 107 CG PHE A 13 4.903 -7.958 4.781 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.260 -8.003 4.703 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.171 -7.581 3.699 1.00 0.00 C ATOM 110 CE1 PHE A 13 6.913 -7.656 3.490 1.00 0.00 C ATOM 111 CE2 PHE A 13 4.824 -7.234 2.486 1.00 0.00 C ATOM 112 CZ PHE A 13 6.181 -7.279 2.407 1.00 0.00 C ATOM 0 HA PHE A 13 3.012 -10.157 5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.231 -7.834 6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.784 -7.949 6.925 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.841 -8.302 5.563 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.093 -7.545 3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.991 -7.691 3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.243 -6.934 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.677 -7.016 1.485 1.00 0.00 H new ATOM 122 N ARG A 14 6.294 -10.452 5.915 1.00 0.00 N ATOM 123 CA ARG A 14 7.404 -11.111 5.249 1.00 0.00 C ATOM 124 C ARG A 14 7.183 -12.625 5.220 1.00 0.00 C ATOM 125 O ARG A 14 7.524 -13.287 4.241 1.00 0.00 O ATOM 126 CB ARG A 14 8.728 -10.810 5.955 1.00 0.00 C ATOM 127 CG ARG A 14 9.748 -11.923 5.706 1.00 0.00 C ATOM 128 CD ARG A 14 11.178 -11.388 5.807 1.00 0.00 C ATOM 129 NE ARG A 14 12.129 -12.385 5.266 1.00 0.00 N ATOM 130 CZ ARG A 14 13.363 -12.082 4.807 1.00 0.00 C ATOM 131 NH1 ARG A 14 13.804 -10.807 4.819 1.00 0.00 N ATOM 132 NH2 ARG A 14 14.130 -13.053 4.346 1.00 0.00 N ATOM 0 H ARG A 14 6.555 -9.894 6.728 1.00 0.00 H new ATOM 0 HA ARG A 14 7.453 -10.728 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.127 -9.860 5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.557 -10.702 7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.603 -12.723 6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.586 -12.355 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.265 -10.452 5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.421 -11.168 6.847 1.00 0.00 H new ATOM 0 HE ARG A 14 11.834 -13.361 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.204 -10.063 5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.737 -10.587 4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.788 -14.014 4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.064 -12.842 3.996 1.00 0.00 H new ATOM 146 N LYS A 15 6.612 -13.128 6.305 1.00 0.00 N ATOM 147 CA LYS A 15 6.341 -14.551 6.416 1.00 0.00 C ATOM 148 C LYS A 15 5.573 -15.018 5.178 1.00 0.00 C ATOM 149 O LYS A 15 6.019 -15.918 4.469 1.00 0.00 O ATOM 150 CB LYS A 15 5.628 -14.860 7.734 1.00 0.00 C ATOM 151 CG LYS A 15 4.346 -14.036 7.869 1.00 0.00 C ATOM 152 CD LYS A 15 3.123 -14.851 7.443 1.00 0.00 C ATOM 153 CE LYS A 15 2.554 -15.643 8.622 1.00 0.00 C ATOM 154 NZ LYS A 15 3.027 -17.045 8.581 1.00 0.00 N ATOM 0 H LYS A 15 6.330 -12.575 7.115 1.00 0.00 H new ATOM 0 HA LYS A 15 7.274 -15.115 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.389 -15.922 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.293 -14.645 8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.227 -13.708 8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.420 -13.138 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.358 -14.184 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.399 -15.535 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.857 -15.178 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.465 -15.619 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.210 -17.686 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.631 -17.183 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.574 -17.252 9.441 1.00 0.00 H new ATOM 168 N LYS A 16 4.431 -14.384 4.955 1.00 0.00 N ATOM 169 CA LYS A 16 3.596 -14.723 3.815 1.00 0.00 C ATOM 170 C LYS A 16 4.125 -14.007 2.571 1.00 0.00 C ATOM 171 O LYS A 16 4.074 -14.551 1.469 1.00 0.00 O ATOM 172 CB LYS A 16 2.127 -14.424 4.119 1.00 0.00 C ATOM 173 CG LYS A 16 1.202 -15.301 3.271 1.00 0.00 C ATOM 174 CD LYS A 16 1.321 -16.772 3.675 1.00 0.00 C ATOM 175 CE LYS A 16 0.053 -17.546 3.305 1.00 0.00 C ATOM 176 NZ LYS A 16 0.296 -18.406 2.126 1.00 0.00 N ATOM 0 H LYS A 16 4.064 -13.637 5.545 1.00 0.00 H new ATOM 0 HA LYS A 16 3.644 -15.793 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.928 -14.596 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.918 -13.372 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.170 -14.970 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.453 -15.188 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.183 -17.220 3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.496 -16.845 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.266 -18.158 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.757 -16.848 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.574 -18.924 1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.579 -17.816 1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.054 -19.084 2.341 1.00 0.00 H new ATOM 190 N PHE A 17 4.621 -12.798 2.789 1.00 0.00 N ATOM 191 CA PHE A 17 5.159 -12.002 1.699 1.00 0.00 C ATOM 192 C PHE A 17 6.638 -12.318 1.467 1.00 0.00 C ATOM 193 O PHE A 17 7.402 -11.453 1.041 1.00 0.00 O ATOM 194 CB PHE A 17 5.022 -10.534 2.108 1.00 0.00 C ATOM 195 CG PHE A 17 3.588 -10.003 2.049 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.623 -10.564 2.826 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.279 -8.969 1.221 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.292 -10.071 2.771 1.00 0.00 C ATOM 199 CE2 PHE A 17 1.948 -8.477 1.166 1.00 0.00 C ATOM 200 CZ PHE A 17 0.983 -9.038 1.943 1.00 0.00 C ATOM 0 H PHE A 17 4.662 -12.350 3.705 1.00 0.00 H new ATOM 0 HA PHE A 17 4.620 -12.220 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.402 -10.413 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.651 -9.926 1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.869 -11.384 3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.046 -8.522 0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.525 -10.517 3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.702 -7.657 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.029 -8.663 1.902 1.00 0.00 H new ATOM 210 N LYS A 18 6.996 -13.560 1.756 1.00 0.00 N ATOM 211 CA LYS A 18 8.370 -14.002 1.584 1.00 0.00 C ATOM 212 C LYS A 18 8.970 -13.318 0.353 1.00 0.00 C ATOM 213 O LYS A 18 10.073 -13.657 -0.073 1.00 0.00 O ATOM 214 CB LYS A 18 8.440 -15.529 1.534 1.00 0.00 C ATOM 215 CG LYS A 18 9.397 -16.069 2.598 1.00 0.00 C ATOM 216 CD LYS A 18 10.840 -15.661 2.295 1.00 0.00 C ATOM 217 CE LYS A 18 11.388 -16.435 1.094 1.00 0.00 C ATOM 218 NZ LYS A 18 12.175 -15.540 0.217 1.00 0.00 N ATOM 0 H LYS A 18 6.359 -14.275 2.108 1.00 0.00 H new ATOM 0 HA LYS A 18 8.975 -13.707 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.445 -15.947 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.771 -15.849 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.107 -15.692 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.324 -17.156 2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.884 -14.591 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.465 -15.847 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.014 -17.258 1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.565 -16.875 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.468 -16.059 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.593 -14.724 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.018 -15.208 0.727 1.00 0.00 H new ATOM 232 N TYR A 19 8.218 -12.369 -0.183 1.00 0.00 N ATOM 233 CA TYR A 19 8.662 -11.635 -1.356 1.00 0.00 C ATOM 234 C TYR A 19 9.930 -10.834 -1.054 1.00 0.00 C ATOM 235 O TYR A 19 9.939 -9.996 -0.153 1.00 0.00 O ATOM 236 CB TYR A 19 7.530 -10.665 -1.700 1.00 0.00 C ATOM 237 CG TYR A 19 8.009 -9.307 -2.216 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.812 -9.240 -3.337 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.640 -8.150 -1.562 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.263 -7.962 -3.824 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.091 -6.872 -2.048 1.00 0.00 C ATOM 242 CZ TYR A 19 8.880 -6.841 -3.155 1.00 0.00 C ATOM 243 OH TYR A 19 9.307 -5.634 -3.614 1.00 0.00 O ATOM 0 H TYR A 19 7.304 -12.091 0.173 1.00 0.00 H new ATOM 0 HA TYR A 19 8.889 -12.319 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.889 -11.123 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.917 -10.509 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.102 -10.146 -3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.012 -8.203 -0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.891 -7.895 -4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.809 -5.959 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 19 8.956 -4.922 -3.039 1.00 0.00 H new ATOM 253 N ASP A 20 10.969 -11.120 -1.824 1.00 0.00 N ATOM 254 CA ASP A 20 12.240 -10.437 -1.650 1.00 0.00 C ATOM 255 C ASP A 20 12.372 -9.339 -2.708 1.00 0.00 C ATOM 256 O ASP A 20 12.748 -9.612 -3.847 1.00 0.00 O ATOM 257 CB ASP A 20 13.413 -11.403 -1.823 1.00 0.00 C ATOM 258 CG ASP A 20 13.793 -12.189 -0.566 1.00 0.00 C ATOM 259 OD1 ASP A 20 13.601 -11.628 0.534 1.00 0.00 O ATOM 260 OD2 ASP A 20 14.267 -13.333 -0.734 1.00 0.00 O ATOM 0 H ASP A 20 10.957 -11.815 -2.570 1.00 0.00 H new ATOM 0 HA ASP A 20 12.263 -10.019 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.168 -12.110 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.283 -10.838 -2.157 1.00 0.00 H new ATOM 265 N GLY A 21 12.056 -8.121 -2.294 1.00 0.00 N ATOM 266 CA GLY A 21 12.135 -6.981 -3.192 1.00 0.00 C ATOM 267 C GLY A 21 12.499 -5.706 -2.428 1.00 0.00 C ATOM 268 O GLY A 21 12.864 -5.764 -1.255 1.00 0.00 O ATOM 0 H GLY A 21 11.745 -7.898 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.881 -7.172 -3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.179 -6.846 -3.699 1.00 0.00 H new ATOM 272 N GLU A 22 12.387 -4.585 -3.125 1.00 0.00 N ATOM 273 CA GLU A 22 12.699 -3.298 -2.527 1.00 0.00 C ATOM 274 C GLU A 22 11.412 -2.561 -2.151 1.00 0.00 C ATOM 275 O GLU A 22 10.843 -1.841 -2.970 1.00 0.00 O ATOM 276 CB GLU A 22 13.561 -2.452 -3.467 1.00 0.00 C ATOM 277 CG GLU A 22 14.687 -1.756 -2.700 1.00 0.00 C ATOM 278 CD GLU A 22 14.177 -0.494 -2.002 1.00 0.00 C ATOM 279 OE1 GLU A 22 14.218 0.572 -2.654 1.00 0.00 O ATOM 280 OE2 GLU A 22 13.757 -0.623 -0.831 1.00 0.00 O ATOM 0 H GLU A 22 12.085 -4.541 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 22 13.274 -3.471 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.984 -3.085 -4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.940 -1.707 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.106 -2.440 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.493 -1.496 -3.387 1.00 0.00 H new ATOM 287 N ILE A 23 10.992 -2.766 -0.911 1.00 0.00 N ATOM 288 CA ILE A 23 9.783 -2.129 -0.417 1.00 0.00 C ATOM 289 C ILE A 23 10.029 -0.628 -0.260 1.00 0.00 C ATOM 290 O ILE A 23 10.763 -0.206 0.633 1.00 0.00 O ATOM 291 CB ILE A 23 9.305 -2.812 0.867 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.112 -3.729 0.589 1.00 0.00 C ATOM 293 CG2 ILE A 23 8.994 -1.780 1.953 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.847 -4.658 1.775 1.00 0.00 C ATOM 0 H ILE A 23 11.467 -3.364 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 23 8.971 -2.245 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 23 10.113 -3.440 1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.225 -3.128 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.305 -4.321 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.656 -2.291 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.893 -1.205 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.211 -1.108 1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.994 -5.299 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.727 -5.275 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.631 -4.063 2.662 1.00 0.00 H new ATOM 306 N ARG A 24 9.403 0.138 -1.141 1.00 0.00 N ATOM 307 CA ARG A 24 9.545 1.584 -1.111 1.00 0.00 C ATOM 308 C ARG A 24 8.306 2.252 -1.711 1.00 0.00 C ATOM 309 O ARG A 24 7.853 1.872 -2.790 1.00 0.00 O ATOM 310 CB ARG A 24 10.784 2.031 -1.889 1.00 0.00 C ATOM 311 CG ARG A 24 11.170 3.467 -1.527 1.00 0.00 C ATOM 312 CD ARG A 24 10.612 4.459 -2.551 1.00 0.00 C ATOM 313 NE ARG A 24 11.702 5.309 -3.078 1.00 0.00 N ATOM 314 CZ ARG A 24 11.510 6.513 -3.658 1.00 0.00 C ATOM 315 NH1 ARG A 24 10.266 7.019 -3.789 1.00 0.00 N ATOM 316 NH2 ARG A 24 12.558 7.187 -4.094 1.00 0.00 N ATOM 0 H ARG A 24 8.796 -0.215 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 24 9.655 1.885 -0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.616 1.361 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.590 1.961 -2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.790 3.711 -0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.256 3.556 -1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.133 3.920 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.846 5.081 -2.087 1.00 0.00 H new ATOM 0 HE ARG A 24 12.659 4.964 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.462 6.491 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.129 7.929 -4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.495 6.797 -3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.431 8.098 -4.535 1.00 0.00 H new ATOM 330 N VAL A 25 7.793 3.235 -0.986 1.00 0.00 N ATOM 331 CA VAL A 25 6.616 3.959 -1.433 1.00 0.00 C ATOM 332 C VAL A 25 7.004 4.900 -2.575 1.00 0.00 C ATOM 333 O VAL A 25 7.508 5.996 -2.337 1.00 0.00 O ATOM 334 CB VAL A 25 5.969 4.687 -0.252 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.970 5.622 0.430 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.720 5.451 -0.697 1.00 0.00 C ATOM 0 H VAL A 25 8.171 3.547 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 25 5.868 3.268 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 25 5.661 3.937 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.485 6.127 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.817 5.043 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.322 6.364 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.280 5.959 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.994 6.187 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.996 4.752 -1.116 1.00 0.00 H new ATOM 346 N LEU A 26 6.755 4.437 -3.791 1.00 0.00 N ATOM 347 CA LEU A 26 7.072 5.223 -4.971 1.00 0.00 C ATOM 348 C LEU A 26 5.845 6.042 -5.378 1.00 0.00 C ATOM 349 O LEU A 26 5.947 7.246 -5.608 1.00 0.00 O ATOM 350 CB LEU A 26 7.609 4.324 -6.086 1.00 0.00 C ATOM 351 CG LEU A 26 8.641 4.957 -7.021 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.703 4.212 -8.356 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.366 6.450 -7.211 1.00 0.00 C ATOM 0 H LEU A 26 6.337 3.527 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 26 7.871 5.932 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.056 3.441 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.766 3.981 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 26 9.623 4.866 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.444 4.683 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.982 3.173 -8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.726 4.248 -8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.114 6.876 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.374 6.585 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.413 6.954 -6.246 1.00 0.00 H new ATOM 365 N TYR A 27 4.715 5.356 -5.455 1.00 0.00 N ATOM 366 CA TYR A 27 3.470 6.004 -5.830 1.00 0.00 C ATOM 367 C TYR A 27 2.350 5.653 -4.848 1.00 0.00 C ATOM 368 O TYR A 27 1.613 4.691 -5.060 1.00 0.00 O ATOM 369 CB TYR A 27 3.109 5.457 -7.213 1.00 0.00 C ATOM 370 CG TYR A 27 2.731 3.975 -7.216 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.716 3.011 -7.130 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.406 3.601 -7.306 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.360 1.616 -7.133 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.050 2.206 -7.309 1.00 0.00 C ATOM 375 CZ TYR A 27 2.044 1.282 -7.222 1.00 0.00 C ATOM 376 OH TYR A 27 1.708 -0.036 -7.225 1.00 0.00 O ATOM 0 H TYR A 27 4.635 4.357 -5.264 1.00 0.00 H new ATOM 0 HA TYR A 27 3.586 7.088 -5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.277 6.035 -7.615 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.955 5.607 -7.884 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.753 3.303 -7.060 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.636 4.355 -7.374 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.120 0.852 -7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.017 1.900 -7.379 1.00 0.00 H new ATOM 0 HH TYR A 27 2.265 -0.517 -6.578 1.00 0.00 H new ATOM 386 N SER A 28 2.259 6.450 -3.794 1.00 0.00 N ATOM 387 CA SER A 28 1.242 6.235 -2.778 1.00 0.00 C ATOM 388 C SER A 28 -0.136 6.599 -3.333 1.00 0.00 C ATOM 389 O SER A 28 -0.422 7.770 -3.577 1.00 0.00 O ATOM 390 CB SER A 28 1.540 7.052 -1.519 1.00 0.00 C ATOM 391 OG SER A 28 1.727 8.434 -1.812 1.00 0.00 O ATOM 0 H SER A 28 2.873 7.246 -3.621 1.00 0.00 H new ATOM 0 HA SER A 28 1.249 5.180 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.719 6.939 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.434 6.660 -1.035 1.00 0.00 H new ATOM 0 HG SER A 28 1.027 8.735 -2.428 1.00 0.00 H new ATOM 397 N THR A 29 -0.954 5.573 -3.517 1.00 0.00 N ATOM 398 CA THR A 29 -2.296 5.769 -4.039 1.00 0.00 C ATOM 399 C THR A 29 -3.294 5.945 -2.892 1.00 0.00 C ATOM 400 O THR A 29 -3.007 5.576 -1.754 1.00 0.00 O ATOM 401 CB THR A 29 -2.625 4.589 -4.955 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.569 5.120 -5.881 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.395 3.483 -4.231 1.00 0.00 C ATOM 0 H THR A 29 -0.713 4.603 -3.314 1.00 0.00 H new ATOM 0 HA THR A 29 -2.361 6.684 -4.628 1.00 0.00 H new ATOM 0 HB THR A 29 -1.702 4.180 -5.365 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.596 4.555 -6.681 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.603 2.670 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.797 3.107 -3.401 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.334 3.883 -3.849 1.00 0.00 H new ATOM 411 N LYS A 30 -4.444 6.507 -3.232 1.00 0.00 N ATOM 412 CA LYS A 30 -5.485 6.736 -2.245 1.00 0.00 C ATOM 413 C LYS A 30 -6.553 5.648 -2.374 1.00 0.00 C ATOM 414 O LYS A 30 -6.925 5.267 -3.483 1.00 0.00 O ATOM 415 CB LYS A 30 -6.038 8.157 -2.369 1.00 0.00 C ATOM 416 CG LYS A 30 -7.239 8.362 -1.442 1.00 0.00 C ATOM 417 CD LYS A 30 -8.508 8.653 -2.245 1.00 0.00 C ATOM 418 CE LYS A 30 -9.507 9.464 -1.417 1.00 0.00 C ATOM 419 NZ LYS A 30 -10.806 8.760 -1.337 1.00 0.00 N ATOM 0 H LYS A 30 -4.678 6.811 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.076 6.664 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.258 8.877 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.334 8.347 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.387 7.472 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.039 9.188 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.251 9.202 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.967 7.716 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.111 9.625 -0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.647 10.447 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.327 9.086 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.364 8.963 -2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.642 7.736 -1.266 1.00 0.00 H new ATOM 433 N VAL A 31 -7.014 5.177 -1.225 1.00 0.00 N ATOM 434 CA VAL A 31 -8.031 4.139 -1.196 1.00 0.00 C ATOM 435 C VAL A 31 -9.364 4.724 -1.667 1.00 0.00 C ATOM 436 O VAL A 31 -9.881 5.665 -1.065 1.00 0.00 O ATOM 437 CB VAL A 31 -8.110 3.522 0.202 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.697 2.111 0.146 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.737 3.518 0.877 1.00 0.00 C ATOM 0 H VAL A 31 -6.702 5.495 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.771 3.331 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.778 4.139 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.742 1.695 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.702 2.151 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.066 1.479 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.821 3.074 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.038 2.935 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.373 4.541 0.967 1.00 0.00 H new ATOM 449 N THR A 32 -9.884 4.144 -2.738 1.00 0.00 N ATOM 450 CA THR A 32 -11.147 4.596 -3.297 1.00 0.00 C ATOM 451 C THR A 32 -12.314 4.117 -2.431 1.00 0.00 C ATOM 452 O THR A 32 -12.368 2.951 -2.046 1.00 0.00 O ATOM 453 CB THR A 32 -11.224 4.110 -4.745 1.00 0.00 C ATOM 454 OG1 THR A 32 -10.578 5.137 -5.492 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.656 4.103 -5.284 1.00 0.00 C ATOM 0 H THR A 32 -9.453 3.364 -3.234 1.00 0.00 H new ATOM 0 HA THR A 32 -11.212 5.684 -3.301 1.00 0.00 H new ATOM 0 HB THR A 32 -10.805 3.106 -4.813 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.582 4.901 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.655 3.750 -6.315 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.271 3.441 -4.674 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.064 5.113 -5.247 1.00 0.00 H new ATOM 463 N THR A 33 -13.220 5.043 -2.151 1.00 0.00 N ATOM 464 CA THR A 33 -14.383 4.730 -1.339 1.00 0.00 C ATOM 465 C THR A 33 -14.977 3.383 -1.754 1.00 0.00 C ATOM 466 O THR A 33 -15.706 2.759 -0.985 1.00 0.00 O ATOM 467 CB THR A 33 -15.371 5.892 -1.460 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.355 5.616 -0.468 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.150 5.864 -2.776 1.00 0.00 C ATOM 0 H THR A 33 -13.172 6.010 -2.472 1.00 0.00 H new ATOM 0 HA THR A 33 -14.113 4.621 -0.289 1.00 0.00 H new ATOM 0 HB THR A 33 -14.832 6.836 -1.378 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.035 6.322 -0.476 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.837 6.710 -2.810 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.454 5.927 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.716 4.935 -2.844 1.00 0.00 H new ATOM 477 N SER A 34 -14.641 2.973 -2.969 1.00 0.00 N ATOM 478 CA SER A 34 -15.132 1.711 -3.495 1.00 0.00 C ATOM 479 C SER A 34 -14.165 0.582 -3.133 1.00 0.00 C ATOM 480 O SER A 34 -14.250 -0.514 -3.685 1.00 0.00 O ATOM 481 CB SER A 34 -15.321 1.783 -5.011 1.00 0.00 C ATOM 482 OG SER A 34 -16.652 1.456 -5.400 1.00 0.00 O ATOM 0 H SER A 34 -14.035 3.493 -3.604 1.00 0.00 H new ATOM 0 HA SER A 34 -16.103 1.507 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.078 2.787 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.624 1.100 -5.496 1.00 0.00 H new ATOM 0 HG SER A 34 -16.732 1.515 -6.375 1.00 0.00 H new ATOM 488 N ILE A 35 -13.267 0.888 -2.208 1.00 0.00 N ATOM 489 CA ILE A 35 -12.285 -0.087 -1.766 1.00 0.00 C ATOM 490 C ILE A 35 -12.981 -1.162 -0.929 1.00 0.00 C ATOM 491 O ILE A 35 -14.168 -1.047 -0.627 1.00 0.00 O ATOM 492 CB ILE A 35 -11.131 0.606 -1.040 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.780 0.150 -1.596 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.229 0.395 0.472 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.034 -0.718 -0.580 1.00 0.00 C ATOM 0 H ILE A 35 -13.199 1.798 -1.752 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.836 -0.590 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.208 1.678 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.933 -0.412 -2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.175 1.020 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.397 0.898 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.169 0.808 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.191 -0.672 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.077 -1.029 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.861 -0.145 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.631 -1.599 -0.346 1.00 0.00 H new ATOM 507 N THR A 36 -12.213 -2.183 -0.578 1.00 0.00 N ATOM 508 CA THR A 36 -12.741 -3.278 0.219 1.00 0.00 C ATOM 509 C THR A 36 -13.005 -2.815 1.653 1.00 0.00 C ATOM 510 O THR A 36 -12.089 -2.376 2.346 1.00 0.00 O ATOM 511 CB THR A 36 -11.757 -4.445 0.129 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.234 -5.377 1.096 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.359 -4.073 0.627 1.00 0.00 C ATOM 0 H THR A 36 -11.229 -2.275 -0.831 1.00 0.00 H new ATOM 0 HA THR A 36 -13.704 -3.616 -0.162 1.00 0.00 H new ATOM 0 HB THR A 36 -11.694 -4.787 -0.904 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.535 -5.544 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.700 -4.937 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.964 -3.255 0.025 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.415 -3.762 1.670 1.00 0.00 H new ATOM 521 N SER A 37 -14.263 -2.928 2.055 1.00 0.00 N ATOM 522 CA SER A 37 -14.659 -2.527 3.394 1.00 0.00 C ATOM 523 C SER A 37 -15.214 -3.731 4.159 1.00 0.00 C ATOM 524 O SER A 37 -15.137 -3.781 5.385 1.00 0.00 O ATOM 525 CB SER A 37 -15.696 -1.403 3.348 1.00 0.00 C ATOM 526 OG SER A 37 -16.877 -1.737 4.073 1.00 0.00 O ATOM 0 H SER A 37 -15.021 -3.291 1.477 1.00 0.00 H new ATOM 0 HA SER A 37 -13.777 -2.150 3.913 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.262 -0.492 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.955 -1.191 2.311 1.00 0.00 H new ATOM 0 HG SER A 37 -17.514 -0.994 4.021 1.00 0.00 H new ATOM 532 N LYS A 38 -15.760 -4.671 3.402 1.00 0.00 N ATOM 533 CA LYS A 38 -16.328 -5.871 3.993 1.00 0.00 C ATOM 534 C LYS A 38 -15.373 -7.045 3.768 1.00 0.00 C ATOM 535 O LYS A 38 -15.074 -7.793 4.698 1.00 0.00 O ATOM 536 CB LYS A 38 -17.740 -6.115 3.458 1.00 0.00 C ATOM 537 CG LYS A 38 -17.704 -6.956 2.180 1.00 0.00 C ATOM 538 CD LYS A 38 -19.119 -7.310 1.716 1.00 0.00 C ATOM 539 CE LYS A 38 -19.431 -6.661 0.366 1.00 0.00 C ATOM 540 NZ LYS A 38 -19.121 -7.594 -0.741 1.00 0.00 N ATOM 0 H LYS A 38 -15.821 -4.626 2.385 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.438 -5.750 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.337 -6.623 4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.226 -5.161 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.186 -6.407 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.136 -7.870 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.219 -8.392 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.843 -6.978 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.483 -6.377 0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.849 -5.746 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.338 -7.138 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.112 -7.844 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.695 -8.456 -0.640 1.00 0.00 H new ATOM 554 N LYS A 39 -14.922 -7.171 2.529 1.00 0.00 N ATOM 555 CA LYS A 39 -14.007 -8.241 2.170 1.00 0.00 C ATOM 556 C LYS A 39 -12.664 -8.013 2.866 1.00 0.00 C ATOM 557 O LYS A 39 -12.060 -6.951 2.723 1.00 0.00 O ATOM 558 CB LYS A 39 -13.899 -8.367 0.649 1.00 0.00 C ATOM 559 CG LYS A 39 -14.156 -9.806 0.198 1.00 0.00 C ATOM 560 CD LYS A 39 -12.895 -10.659 0.343 1.00 0.00 C ATOM 561 CE LYS A 39 -11.961 -10.466 -0.853 1.00 0.00 C ATOM 562 NZ LYS A 39 -10.546 -10.524 -0.422 1.00 0.00 N ATOM 0 H LYS A 39 -15.173 -6.549 1.760 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.388 -9.201 2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.617 -7.699 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.907 -8.052 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.962 -10.238 0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.486 -9.812 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.374 -10.391 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.171 -11.710 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.152 -11.238 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.163 -9.506 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.926 -10.391 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.364 -9.772 0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.353 -11.450 0.011 1.00 0.00 H new ATOM 576 N TRP A 40 -12.235 -9.027 3.603 1.00 0.00 N ATOM 577 CA TRP A 40 -10.974 -8.950 4.320 1.00 0.00 C ATOM 578 C TRP A 40 -10.333 -10.339 4.301 1.00 0.00 C ATOM 579 O TRP A 40 -10.981 -11.330 4.634 1.00 0.00 O ATOM 580 CB TRP A 40 -11.181 -8.407 5.736 1.00 0.00 C ATOM 581 CG TRP A 40 -11.632 -6.946 5.783 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.576 -6.398 6.560 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.116 -5.861 4.983 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.706 -5.045 6.321 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.790 -4.708 5.331 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.113 -5.854 3.997 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.534 -3.464 4.744 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.870 -4.602 3.419 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.539 -3.433 3.759 1.00 0.00 C ATOM 0 H TRP A 40 -12.739 -9.906 3.719 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.297 -8.247 3.834 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.923 -9.022 6.245 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.249 -8.507 6.292 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.162 -6.946 7.283 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.355 -4.409 6.785 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.573 -6.744 3.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.075 -2.575 5.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.109 -4.541 2.655 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.293 -2.504 3.266 1.00 0.00 H new ATOM 600 N GLY A 41 -9.068 -10.367 3.906 1.00 0.00 N ATOM 601 CA GLY A 41 -8.333 -11.618 3.839 1.00 0.00 C ATOM 602 C GLY A 41 -7.128 -11.597 4.782 1.00 0.00 C ATOM 603 O GLY A 41 -6.665 -10.530 5.181 1.00 0.00 O ATOM 0 H GLY A 41 -8.534 -9.543 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.992 -12.445 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.997 -11.792 2.817 1.00 0.00 H new ATOM 607 N THR A 42 -6.654 -12.790 5.111 1.00 0.00 N ATOM 608 CA THR A 42 -5.513 -12.923 6.000 1.00 0.00 C ATOM 609 C THR A 42 -4.311 -12.156 5.442 1.00 0.00 C ATOM 610 O THR A 42 -3.532 -11.581 6.200 1.00 0.00 O ATOM 611 CB THR A 42 -5.241 -14.415 6.202 1.00 0.00 C ATOM 612 OG1 THR A 42 -3.997 -14.451 6.896 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.954 -15.141 4.886 1.00 0.00 C ATOM 0 H THR A 42 -7.040 -13.673 4.777 1.00 0.00 H new ATOM 0 HA THR A 42 -5.718 -12.481 6.975 1.00 0.00 H new ATOM 0 HB THR A 42 -6.098 -14.877 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.746 -15.382 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.768 -16.196 5.086 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.813 -15.043 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.077 -14.701 4.412 1.00 0.00 H new ATOM 621 N ARG A 43 -4.199 -12.174 4.122 1.00 0.00 N ATOM 622 CA ARG A 43 -3.106 -11.488 3.454 1.00 0.00 C ATOM 623 C ARG A 43 -3.557 -10.104 2.983 1.00 0.00 C ATOM 624 O ARG A 43 -2.819 -9.411 2.285 1.00 0.00 O ATOM 625 CB ARG A 43 -2.605 -12.291 2.252 1.00 0.00 C ATOM 626 CG ARG A 43 -1.280 -12.986 2.571 1.00 0.00 C ATOM 627 CD ARG A 43 -0.532 -13.355 1.288 1.00 0.00 C ATOM 628 NE ARG A 43 -1.178 -14.519 0.642 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.007 -14.857 -0.654 1.00 0.00 C ATOM 630 NH1 ARG A 43 -0.207 -14.120 -1.454 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.633 -15.918 -1.127 1.00 0.00 N ATOM 0 H ARG A 43 -4.847 -12.653 3.497 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.292 -11.384 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.351 -13.034 1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.476 -11.629 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.659 -12.331 3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.469 -13.885 3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.526 -12.506 0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.508 -13.587 1.518 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.791 -15.103 1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.273 -13.301 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.083 -14.382 -2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.235 -16.469 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.514 -16.187 -2.104 1.00 0.00 H new ATOM 645 N ASP A 44 -4.767 -9.743 3.384 1.00 0.00 N ATOM 646 CA ASP A 44 -5.325 -8.454 3.012 1.00 0.00 C ATOM 647 C ASP A 44 -5.254 -7.506 4.211 1.00 0.00 C ATOM 648 O ASP A 44 -5.080 -7.948 5.346 1.00 0.00 O ATOM 649 CB ASP A 44 -6.793 -8.587 2.601 1.00 0.00 C ATOM 650 CG ASP A 44 -7.154 -7.927 1.269 1.00 0.00 C ATOM 651 OD1 ASP A 44 -7.287 -6.684 1.269 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.288 -8.680 0.280 1.00 0.00 O ATOM 0 H ASP A 44 -5.377 -10.321 3.963 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.748 -8.068 2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.044 -9.646 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.415 -8.153 3.384 1.00 0.00 H new ATOM 657 N LEU A 45 -5.391 -6.221 3.918 1.00 0.00 N ATOM 658 CA LEU A 45 -5.345 -5.208 4.958 1.00 0.00 C ATOM 659 C LEU A 45 -6.772 -4.829 5.359 1.00 0.00 C ATOM 660 O LEU A 45 -7.692 -4.915 4.548 1.00 0.00 O ATOM 661 CB LEU A 45 -4.495 -4.017 4.509 1.00 0.00 C ATOM 662 CG LEU A 45 -3.600 -3.389 5.579 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.628 -4.421 6.155 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.874 -2.159 5.033 1.00 0.00 C ATOM 0 H LEU A 45 -5.534 -5.859 2.975 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.857 -5.600 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.865 -4.338 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.161 -3.246 4.123 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.233 -3.051 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.003 -3.949 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.190 -5.239 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.997 -4.812 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.245 -1.732 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.254 -2.449 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.606 -1.418 4.711 1.00 0.00 H new ATOM 676 N GLN A 46 -6.911 -4.417 6.611 1.00 0.00 N ATOM 677 CA GLN A 46 -8.210 -4.024 7.129 1.00 0.00 C ATOM 678 C GLN A 46 -8.463 -2.539 6.858 1.00 0.00 C ATOM 679 O GLN A 46 -9.144 -1.870 7.634 1.00 0.00 O ATOM 680 CB GLN A 46 -8.321 -4.335 8.623 1.00 0.00 C ATOM 681 CG GLN A 46 -9.596 -3.731 9.215 1.00 0.00 C ATOM 682 CD GLN A 46 -10.121 -4.584 10.372 1.00 0.00 C ATOM 683 OE1 GLN A 46 -10.033 -4.222 11.534 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.670 -5.734 9.991 1.00 0.00 N ATOM 0 H GLN A 46 -6.145 -4.347 7.281 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.976 -4.603 6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.321 -5.414 8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.450 -3.940 9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.394 -2.719 9.567 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.359 -3.653 8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.712 -5.976 9.001 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.050 -6.374 10.689 1.00 0.00 H new ATOM 693 N VAL A 47 -7.901 -2.068 5.755 1.00 0.00 N ATOM 694 CA VAL A 47 -8.057 -0.675 5.372 1.00 0.00 C ATOM 695 C VAL A 47 -9.532 -0.394 5.075 1.00 0.00 C ATOM 696 O VAL A 47 -10.304 -1.317 4.818 1.00 0.00 O ATOM 697 CB VAL A 47 -7.138 -0.350 4.193 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.682 -0.682 4.525 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.591 -1.080 2.927 1.00 0.00 C ATOM 0 H VAL A 47 -7.337 -2.626 5.114 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.759 -0.019 6.190 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.203 0.721 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.050 -0.442 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.363 -0.097 5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.594 -1.744 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.921 -0.831 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.570 -2.156 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.606 -0.773 2.674 1.00 0.00 H new ATOM 709 N LYS A 48 -9.879 0.883 5.122 1.00 0.00 N ATOM 710 CA LYS A 48 -11.247 1.297 4.861 1.00 0.00 C ATOM 711 C LYS A 48 -11.298 2.080 3.548 1.00 0.00 C ATOM 712 O LYS A 48 -10.295 2.653 3.123 1.00 0.00 O ATOM 713 CB LYS A 48 -11.812 2.066 6.057 1.00 0.00 C ATOM 714 CG LYS A 48 -12.563 1.131 7.006 1.00 0.00 C ATOM 715 CD LYS A 48 -11.592 0.235 7.777 1.00 0.00 C ATOM 716 CE LYS A 48 -11.782 0.391 9.287 1.00 0.00 C ATOM 717 NZ LYS A 48 -13.099 -0.141 9.701 1.00 0.00 N ATOM 0 H LYS A 48 -9.236 1.645 5.337 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.891 0.426 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.001 2.559 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.484 2.849 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.156 1.718 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.260 0.514 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.748 -0.806 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.567 0.488 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.988 -0.136 9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.705 1.443 9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.152 -0.168 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.853 0.473 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.220 -1.102 9.323 1.00 0.00 H new ATOM 731 N PRO A 49 -12.506 2.079 2.924 1.00 0.00 N ATOM 732 CA PRO A 49 -12.700 2.782 1.667 1.00 0.00 C ATOM 733 C PRO A 49 -12.778 4.294 1.891 1.00 0.00 C ATOM 734 O PRO A 49 -13.528 4.761 2.747 1.00 0.00 O ATOM 735 CB PRO A 49 -13.979 2.201 1.085 1.00 0.00 C ATOM 736 CG PRO A 49 -14.700 1.534 2.245 1.00 0.00 C ATOM 737 CD PRO A 49 -13.715 1.412 3.397 1.00 0.00 C ATOM 0 HA PRO A 49 -11.867 2.648 0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.595 2.982 0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.758 1.481 0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.567 2.122 2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.068 0.551 1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.101 1.886 4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.521 0.368 3.643 1.00 0.00 H new ATOM 745 N GLY A 50 -11.993 5.017 1.106 1.00 0.00 N ATOM 746 CA GLY A 50 -11.963 6.466 1.208 1.00 0.00 C ATOM 747 C GLY A 50 -10.764 6.933 2.035 1.00 0.00 C ATOM 748 O GLY A 50 -10.684 8.101 2.415 1.00 0.00 O ATOM 0 H GLY A 50 -11.373 4.626 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.914 6.903 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.886 6.821 1.667 1.00 0.00 H new ATOM 752 N GLU A 51 -9.861 5.998 2.290 1.00 0.00 N ATOM 753 CA GLU A 51 -8.670 6.299 3.066 1.00 0.00 C ATOM 754 C GLU A 51 -7.448 6.389 2.149 1.00 0.00 C ATOM 755 O GLU A 51 -7.533 6.074 0.963 1.00 0.00 O ATOM 756 CB GLU A 51 -8.454 5.258 4.166 1.00 0.00 C ATOM 757 CG GLU A 51 -8.684 5.868 5.550 1.00 0.00 C ATOM 758 CD GLU A 51 -9.184 4.812 6.539 1.00 0.00 C ATOM 759 OE1 GLU A 51 -8.389 3.896 6.840 1.00 0.00 O ATOM 760 OE2 GLU A 51 -10.349 4.945 6.970 1.00 0.00 O ATOM 0 H GLU A 51 -9.930 5.031 1.973 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.810 7.266 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.134 4.419 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.440 4.862 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.756 6.305 5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.411 6.677 5.478 1.00 0.00 H new ATOM 767 N SER A 52 -6.340 6.819 2.733 1.00 0.00 N ATOM 768 CA SER A 52 -5.102 6.954 1.984 1.00 0.00 C ATOM 769 C SER A 52 -3.984 6.168 2.673 1.00 0.00 C ATOM 770 O SER A 52 -3.776 6.305 3.877 1.00 0.00 O ATOM 771 CB SER A 52 -4.705 8.424 1.836 1.00 0.00 C ATOM 772 OG SER A 52 -3.570 8.588 0.991 1.00 0.00 O ATOM 0 H SER A 52 -6.273 7.079 3.717 1.00 0.00 H new ATOM 0 HA SER A 52 -5.261 6.547 0.985 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.545 8.987 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.488 8.842 2.819 1.00 0.00 H new ATOM 0 HG SER A 52 -3.349 9.540 0.921 1.00 0.00 H new ATOM 778 N LEU A 53 -3.295 5.362 1.879 1.00 0.00 N ATOM 779 CA LEU A 53 -2.203 4.555 2.398 1.00 0.00 C ATOM 780 C LEU A 53 -1.050 4.557 1.392 1.00 0.00 C ATOM 781 O LEU A 53 -1.223 4.968 0.245 1.00 0.00 O ATOM 782 CB LEU A 53 -2.699 3.154 2.762 1.00 0.00 C ATOM 783 CG LEU A 53 -1.697 2.256 3.488 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.177 2.930 4.760 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.301 0.880 3.775 1.00 0.00 C ATOM 0 H LEU A 53 -3.471 5.250 0.881 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.819 4.983 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.586 3.255 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.011 2.651 1.846 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.840 2.101 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.466 2.270 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.682 3.866 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.012 3.135 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.567 0.261 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.185 0.994 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.581 0.403 2.836 1.00 0.00 H new ATOM 797 N GLU A 54 0.100 4.093 1.858 1.00 0.00 N ATOM 798 CA GLU A 54 1.281 4.037 1.013 1.00 0.00 C ATOM 799 C GLU A 54 1.202 2.834 0.070 1.00 0.00 C ATOM 800 O GLU A 54 0.897 1.723 0.500 1.00 0.00 O ATOM 801 CB GLU A 54 2.556 3.989 1.857 1.00 0.00 C ATOM 802 CG GLU A 54 3.540 2.954 1.306 1.00 0.00 C ATOM 803 CD GLU A 54 4.752 2.805 2.227 1.00 0.00 C ATOM 804 OE1 GLU A 54 4.828 3.590 3.197 1.00 0.00 O ATOM 805 OE2 GLU A 54 5.575 1.909 1.941 1.00 0.00 O ATOM 0 H GLU A 54 0.239 3.752 2.809 1.00 0.00 H new ATOM 0 HA GLU A 54 1.317 4.945 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.026 4.972 1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.304 3.744 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.039 1.992 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.869 3.254 0.311 1.00 0.00 H new ATOM 812 N VAL A 55 1.482 3.098 -1.198 1.00 0.00 N ATOM 813 CA VAL A 55 1.446 2.051 -2.205 1.00 0.00 C ATOM 814 C VAL A 55 2.876 1.618 -2.535 1.00 0.00 C ATOM 815 O VAL A 55 3.719 2.450 -2.868 1.00 0.00 O ATOM 816 CB VAL A 55 0.669 2.532 -3.432 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.191 1.867 -4.707 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.832 2.288 -3.261 1.00 0.00 C ATOM 0 H VAL A 55 1.735 4.021 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 55 0.920 1.175 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 55 0.825 3.607 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.622 2.226 -5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.244 2.114 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.080 0.786 -4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.361 2.639 -4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.014 1.222 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.191 2.829 -2.386 1.00 0.00 H new ATOM 828 N ILE A 56 3.105 0.317 -2.432 1.00 0.00 N ATOM 829 CA ILE A 56 4.418 -0.236 -2.715 1.00 0.00 C ATOM 830 C ILE A 56 4.491 -0.636 -4.190 1.00 0.00 C ATOM 831 O ILE A 56 4.008 0.090 -5.058 1.00 0.00 O ATOM 832 CB ILE A 56 4.736 -1.382 -1.752 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.422 -0.986 -0.307 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.183 -1.851 -1.916 1.00 0.00 C ATOM 835 CD1 ILE A 56 5.071 -1.957 0.681 1.00 0.00 C ATOM 0 H ILE A 56 2.403 -0.370 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 56 5.191 0.514 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 56 4.094 -2.227 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.781 0.026 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.343 -0.975 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.382 -2.666 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.339 -2.199 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.860 -1.022 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.832 -1.653 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.692 -2.963 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.152 -1.948 0.543 1.00 0.00 H new ATOM 847 N GLN A 57 5.098 -1.789 -4.429 1.00 0.00 N ATOM 848 CA GLN A 57 5.240 -2.293 -5.784 1.00 0.00 C ATOM 849 C GLN A 57 4.100 -3.259 -6.113 1.00 0.00 C ATOM 850 O GLN A 57 3.494 -3.839 -5.214 1.00 0.00 O ATOM 851 CB GLN A 57 6.601 -2.965 -5.979 1.00 0.00 C ATOM 852 CG GLN A 57 7.725 -1.927 -6.011 1.00 0.00 C ATOM 853 CD GLN A 57 7.521 -0.932 -7.156 1.00 0.00 C ATOM 854 OE1 GLN A 57 7.284 0.247 -6.953 1.00 0.00 O ATOM 855 NE2 GLN A 57 7.627 -1.472 -8.366 1.00 0.00 N ATOM 0 H GLN A 57 5.497 -2.389 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 57 5.186 -1.449 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.779 -3.675 -5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.600 -3.534 -6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.758 -1.392 -5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.685 -2.429 -6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.827 -2.467 -8.465 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.508 -0.891 -9.196 1.00 0.00 H new ATOM 864 N THR A 58 3.843 -3.403 -7.405 1.00 0.00 N ATOM 865 CA THR A 58 2.787 -4.288 -7.864 1.00 0.00 C ATOM 866 C THR A 58 3.153 -5.747 -7.580 1.00 0.00 C ATOM 867 O THR A 58 4.192 -6.228 -8.028 1.00 0.00 O ATOM 868 CB THR A 58 2.540 -4.002 -9.347 1.00 0.00 C ATOM 869 OG1 THR A 58 3.848 -3.864 -9.896 1.00 0.00 O ATOM 870 CG2 THR A 58 1.893 -2.635 -9.579 1.00 0.00 C ATOM 0 H THR A 58 4.349 -2.921 -8.148 1.00 0.00 H new ATOM 0 HA THR A 58 1.858 -4.107 -7.324 1.00 0.00 H new ATOM 0 HB THR A 58 1.903 -4.781 -9.766 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.393 -4.638 -9.641 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.739 -2.482 -10.647 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.933 -2.595 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.545 -1.853 -9.190 1.00 0.00 H new ATOM 878 N THR A 59 2.278 -6.409 -6.837 1.00 0.00 N ATOM 879 CA THR A 59 2.496 -7.802 -6.488 1.00 0.00 C ATOM 880 C THR A 59 2.723 -8.639 -7.748 1.00 0.00 C ATOM 881 O THR A 59 3.849 -9.045 -8.034 1.00 0.00 O ATOM 882 CB THR A 59 1.303 -8.272 -5.653 1.00 0.00 C ATOM 883 OG1 THR A 59 1.683 -7.985 -4.311 1.00 0.00 O ATOM 884 CG2 THR A 59 1.136 -9.793 -5.676 1.00 0.00 C ATOM 0 H THR A 59 1.417 -6.006 -6.467 1.00 0.00 H new ATOM 0 HA THR A 59 3.399 -7.923 -5.889 1.00 0.00 H new ATOM 0 HB THR A 59 0.393 -7.801 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.307 -8.663 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.276 -10.074 -5.068 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.980 -10.126 -6.702 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.033 -10.264 -5.274 1.00 0.00 H new ATOM 892 N ASP A 60 1.637 -8.871 -8.470 1.00 0.00 N ATOM 893 CA ASP A 60 1.703 -9.652 -9.693 1.00 0.00 C ATOM 894 C ASP A 60 1.601 -8.714 -10.898 1.00 0.00 C ATOM 895 O ASP A 60 2.612 -8.207 -11.382 1.00 0.00 O ATOM 896 CB ASP A 60 0.547 -10.651 -9.773 1.00 0.00 C ATOM 897 CG ASP A 60 0.822 -12.010 -9.126 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.354 -12.003 -7.995 1.00 0.00 O ATOM 899 OD2 ASP A 60 0.494 -13.025 -9.777 1.00 0.00 O ATOM 0 H ASP A 60 0.705 -8.531 -8.231 1.00 0.00 H new ATOM 0 HA ASP A 60 2.649 -10.194 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.329 -10.209 -9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.295 -10.809 -10.822 1.00 0.00 H new ATOM 904 N ASP A 61 0.371 -8.512 -11.347 1.00 0.00 N ATOM 905 CA ASP A 61 0.124 -7.644 -12.486 1.00 0.00 C ATOM 906 C ASP A 61 -0.752 -6.469 -12.046 1.00 0.00 C ATOM 907 O ASP A 61 -0.371 -5.311 -12.207 1.00 0.00 O ATOM 908 CB ASP A 61 -0.613 -8.391 -13.599 1.00 0.00 C ATOM 909 CG ASP A 61 0.128 -9.606 -14.162 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.053 -9.382 -14.972 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.247 -10.732 -13.769 1.00 0.00 O ATOM 0 H ASP A 61 -0.465 -8.934 -10.943 1.00 0.00 H new ATOM 0 HA ASP A 61 1.087 -7.298 -12.860 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.580 -8.719 -13.218 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.811 -7.695 -14.414 1.00 0.00 H new ATOM 916 N THR A 62 -1.910 -6.808 -11.498 1.00 0.00 N ATOM 917 CA THR A 62 -2.843 -5.796 -11.033 1.00 0.00 C ATOM 918 C THR A 62 -3.064 -5.927 -9.525 1.00 0.00 C ATOM 919 O THR A 62 -4.143 -6.319 -9.083 1.00 0.00 O ATOM 920 CB THR A 62 -4.131 -5.930 -11.849 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.696 -6.458 -13.099 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.740 -4.574 -12.209 1.00 0.00 C ATOM 0 H THR A 62 -2.223 -7.770 -11.366 1.00 0.00 H new ATOM 0 HA THR A 62 -2.446 -4.792 -11.186 1.00 0.00 H new ATOM 0 HB THR A 62 -4.858 -6.516 -11.286 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.468 -6.578 -13.690 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.651 -4.726 -12.787 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.977 -4.028 -11.296 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.027 -4.000 -12.801 1.00 0.00 H new ATOM 930 N LYS A 63 -2.024 -5.590 -8.776 1.00 0.00 N ATOM 931 CA LYS A 63 -2.090 -5.664 -7.327 1.00 0.00 C ATOM 932 C LYS A 63 -1.040 -4.729 -6.724 1.00 0.00 C ATOM 933 O LYS A 63 0.126 -4.764 -7.116 1.00 0.00 O ATOM 934 CB LYS A 63 -1.963 -7.115 -6.858 1.00 0.00 C ATOM 935 CG LYS A 63 -2.138 -7.219 -5.342 1.00 0.00 C ATOM 936 CD LYS A 63 -3.202 -8.258 -4.982 1.00 0.00 C ATOM 937 CE LYS A 63 -3.458 -8.282 -3.474 1.00 0.00 C ATOM 938 NZ LYS A 63 -4.910 -8.348 -3.196 1.00 0.00 N ATOM 0 H LYS A 63 -1.131 -5.265 -9.146 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.063 -5.323 -6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.713 -7.729 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.987 -7.509 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.189 -7.491 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.422 -6.247 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.129 -8.031 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.879 -9.244 -5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.957 -9.141 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.034 -7.390 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.168 -7.602 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.439 -8.210 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.144 -9.278 -2.793 1.00 0.00 H new ATOM 952 N VAL A 64 -1.490 -3.916 -5.780 1.00 0.00 N ATOM 953 CA VAL A 64 -0.603 -2.973 -5.119 1.00 0.00 C ATOM 954 C VAL A 64 -0.599 -3.252 -3.615 1.00 0.00 C ATOM 955 O VAL A 64 -1.656 -3.323 -2.990 1.00 0.00 O ATOM 956 CB VAL A 64 -1.016 -1.540 -5.460 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.257 -1.381 -6.962 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.250 -1.119 -4.659 1.00 0.00 C ATOM 0 H VAL A 64 -2.457 -3.890 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 64 0.420 -3.096 -5.475 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.195 -0.880 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.549 -0.353 -7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.342 -1.619 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.052 -2.057 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.522 -0.096 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.080 -1.786 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.028 -1.174 -3.593 1.00 0.00 H new ATOM 968 N LEU A 65 0.602 -3.404 -3.076 1.00 0.00 N ATOM 969 CA LEU A 65 0.758 -3.673 -1.657 1.00 0.00 C ATOM 970 C LEU A 65 0.844 -2.349 -0.897 1.00 0.00 C ATOM 971 O LEU A 65 1.715 -1.525 -1.174 1.00 0.00 O ATOM 972 CB LEU A 65 1.952 -4.600 -1.416 1.00 0.00 C ATOM 973 CG LEU A 65 2.709 -4.390 -0.103 1.00 0.00 C ATOM 974 CD1 LEU A 65 1.965 -5.035 1.068 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.149 -4.893 -0.214 1.00 0.00 C ATOM 0 H LEU A 65 1.477 -3.346 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.112 -4.205 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.599 -5.631 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.654 -4.478 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 65 2.757 -3.319 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.524 -4.871 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.975 -4.588 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.865 -6.106 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.665 -4.732 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.146 -5.957 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.665 -4.349 -1.005 1.00 0.00 H new ATOM 987 N CYS A 66 -0.071 -2.184 0.047 1.00 0.00 N ATOM 988 CA CYS A 66 -0.110 -0.973 0.849 1.00 0.00 C ATOM 989 C CYS A 66 0.731 -1.203 2.106 1.00 0.00 C ATOM 990 O CYS A 66 0.938 -2.343 2.519 1.00 0.00 O ATOM 991 CB CYS A 66 -1.545 -0.565 1.188 1.00 0.00 C ATOM 992 SG CYS A 66 -2.567 -0.549 -0.330 1.00 0.00 S ATOM 0 H CYS A 66 -0.791 -2.869 0.274 1.00 0.00 H new ATOM 0 HA CYS A 66 0.308 -0.143 0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.968 -1.260 1.913 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.551 0.422 1.651 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.784 -0.204 -0.030 1.00 0.00 H new ATOM 998 N ARG A 67 1.192 -0.102 2.681 1.00 0.00 N ATOM 999 CA ARG A 67 2.005 -0.169 3.883 1.00 0.00 C ATOM 1000 C ARG A 67 1.534 0.872 4.901 1.00 0.00 C ATOM 1001 O ARG A 67 1.154 1.981 4.530 1.00 0.00 O ATOM 1002 CB ARG A 67 3.481 0.072 3.564 1.00 0.00 C ATOM 1003 CG ARG A 67 4.382 -0.783 4.458 1.00 0.00 C ATOM 1004 CD ARG A 67 5.832 -0.296 4.401 1.00 0.00 C ATOM 1005 NE ARG A 67 6.461 -0.423 5.734 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.499 0.330 6.156 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.033 1.273 5.351 1.00 0.00 N ATOM 1008 NH2 ARG A 67 7.983 0.131 7.368 1.00 0.00 N ATOM 0 H ARG A 67 1.018 0.842 2.336 1.00 0.00 H new ATOM 0 HA ARG A 67 1.894 -1.169 4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.673 -0.163 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.719 1.126 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.022 -0.745 5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.332 -1.825 4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.391 -0.878 3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.863 0.743 4.073 1.00 0.00 H new ATOM 0 HE ARG A 67 6.087 -1.123 6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.652 1.421 4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.817 1.838 5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.573 -0.583 7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.767 0.691 7.702 1.00 0.00 H new ATOM 1022 N ASN A 68 1.575 0.477 6.165 1.00 0.00 N ATOM 1023 CA ASN A 68 1.158 1.362 7.240 1.00 0.00 C ATOM 1024 C ASN A 68 2.327 1.574 8.204 1.00 0.00 C ATOM 1025 O ASN A 68 3.085 0.645 8.480 1.00 0.00 O ATOM 1026 CB ASN A 68 -0.004 0.757 8.031 1.00 0.00 C ATOM 1027 CG ASN A 68 0.031 -0.772 7.975 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.536 -1.399 7.095 1.00 0.00 O ATOM 1029 ND2 ASN A 68 0.727 -1.333 8.959 1.00 0.00 N ATOM 0 H ASN A 68 1.891 -0.444 6.469 1.00 0.00 H new ATOM 0 HA ASN A 68 0.840 2.305 6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.047 1.088 9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.950 1.118 7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.811 -2.348 9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.177 -0.748 9.663 1.00 0.00 H new ATOM 1036 N GLU A 69 2.437 2.802 8.689 1.00 0.00 N ATOM 1037 CA GLU A 69 3.501 3.147 9.616 1.00 0.00 C ATOM 1038 C GLU A 69 3.459 2.229 10.839 1.00 0.00 C ATOM 1039 O GLU A 69 4.406 2.190 11.623 1.00 0.00 O ATOM 1040 CB GLU A 69 3.411 4.617 10.031 1.00 0.00 C ATOM 1041 CG GLU A 69 4.780 5.296 9.948 1.00 0.00 C ATOM 1042 CD GLU A 69 4.721 6.718 10.510 1.00 0.00 C ATOM 1043 OE1 GLU A 69 4.089 7.566 9.843 1.00 0.00 O ATOM 1044 OE2 GLU A 69 5.310 6.925 11.593 1.00 0.00 O ATOM 0 H GLU A 69 1.807 3.570 8.457 1.00 0.00 H new ATOM 0 HA GLU A 69 4.456 3.003 9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.703 5.138 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.027 4.688 11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.514 4.712 10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.114 5.324 8.911 1.00 0.00 H new ATOM 1051 N GLU A 70 2.352 1.512 10.963 1.00 0.00 N ATOM 1052 CA GLU A 70 2.174 0.596 12.077 1.00 0.00 C ATOM 1053 C GLU A 70 3.264 -0.478 12.060 1.00 0.00 C ATOM 1054 O GLU A 70 3.399 -1.245 13.012 1.00 0.00 O ATOM 1055 CB GLU A 70 0.781 -0.036 12.050 1.00 0.00 C ATOM 1056 CG GLU A 70 0.215 -0.175 13.464 1.00 0.00 C ATOM 1057 CD GLU A 70 -1.311 -0.057 13.458 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -1.952 -1.011 12.966 1.00 0.00 O ATOM 1059 OE2 GLU A 70 -1.802 0.985 13.945 1.00 0.00 O ATOM 0 H GLU A 70 1.569 1.547 10.310 1.00 0.00 H new ATOM 0 HA GLU A 70 2.262 1.161 13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.112 0.576 11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.832 -1.017 11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.507 -1.138 13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.640 0.595 14.107 1.00 0.00 H new ATOM 1066 N GLY A 71 4.014 -0.498 10.968 1.00 0.00 N ATOM 1067 CA GLY A 71 5.087 -1.465 10.814 1.00 0.00 C ATOM 1068 C GLY A 71 4.563 -2.778 10.228 1.00 0.00 C ATOM 1069 O GLY A 71 5.254 -3.795 10.259 1.00 0.00 O ATOM 0 H GLY A 71 3.899 0.141 10.181 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.860 -1.055 10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.552 -1.654 11.781 1.00 0.00 H new ATOM 1073 N LYS A 72 3.347 -2.712 9.706 1.00 0.00 N ATOM 1074 CA LYS A 72 2.723 -3.882 9.113 1.00 0.00 C ATOM 1075 C LYS A 72 2.356 -3.578 7.660 1.00 0.00 C ATOM 1076 O LYS A 72 2.190 -2.417 7.287 1.00 0.00 O ATOM 1077 CB LYS A 72 1.538 -4.345 9.963 1.00 0.00 C ATOM 1078 CG LYS A 72 0.469 -5.013 9.095 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.619 -5.652 9.960 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.626 -4.604 10.438 1.00 0.00 C ATOM 1081 NZ LYS A 72 -1.223 -4.061 11.754 1.00 0.00 N ATOM 0 H LYS A 72 2.777 -1.866 9.682 1.00 0.00 H new ATOM 0 HA LYS A 72 3.421 -4.719 9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.883 -5.045 10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.106 -3.492 10.486 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.022 -4.274 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.930 -5.773 8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.135 -6.424 9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.163 -6.142 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.692 -3.796 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.618 -5.050 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.894 -4.380 12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.269 -4.399 11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.223 -3.022 11.715 1.00 0.00 H new ATOM 1095 N TYR A 73 2.240 -4.641 6.877 1.00 0.00 N ATOM 1096 CA TYR A 73 1.896 -4.502 5.472 1.00 0.00 C ATOM 1097 C TYR A 73 0.592 -5.235 5.152 1.00 0.00 C ATOM 1098 O TYR A 73 0.101 -6.019 5.963 1.00 0.00 O ATOM 1099 CB TYR A 73 3.039 -5.155 4.692 1.00 0.00 C ATOM 1100 CG TYR A 73 4.350 -4.367 4.733 1.00 0.00 C ATOM 1101 CD1 TYR A 73 4.970 -4.122 5.942 1.00 0.00 C ATOM 1102 CD2 TYR A 73 4.913 -3.902 3.562 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.204 -3.381 5.981 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.147 -3.161 3.601 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.732 -2.937 4.809 1.00 0.00 C ATOM 1106 OH TYR A 73 7.897 -2.237 4.846 1.00 0.00 O ATOM 0 H TYR A 73 2.378 -5.602 7.189 1.00 0.00 H new ATOM 0 HA TYR A 73 1.758 -3.452 5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.214 -6.154 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.733 -5.277 3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.529 -4.486 6.858 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.428 -4.094 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.699 -3.182 6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.598 -2.791 2.692 1.00 0.00 H new ATOM 0 HH TYR A 73 8.650 -2.859 4.933 1.00 0.00 H new ATOM 1116 N GLY A 74 0.068 -4.954 3.968 1.00 0.00 N ATOM 1117 CA GLY A 74 -1.170 -5.577 3.531 1.00 0.00 C ATOM 1118 C GLY A 74 -1.284 -5.559 2.005 1.00 0.00 C ATOM 1119 O GLY A 74 -0.636 -4.752 1.340 1.00 0.00 O ATOM 0 H GLY A 74 0.478 -4.303 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.210 -6.605 3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.019 -5.053 3.969 1.00 0.00 H new ATOM 1123 N TYR A 75 -2.112 -6.459 1.495 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.318 -6.557 0.060 1.00 0.00 C ATOM 1125 C TYR A 75 -3.677 -5.976 -0.339 1.00 0.00 C ATOM 1126 O TYR A 75 -4.607 -5.954 0.465 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.299 -8.051 -0.268 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.907 -8.601 -0.583 1.00 0.00 C ATOM 1129 CD1 TYR A 75 -0.035 -7.868 -1.361 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.523 -9.831 -0.088 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.275 -8.386 -1.658 1.00 0.00 C ATOM 1132 CE2 TYR A 75 0.788 -10.349 -0.385 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.622 -9.601 -1.155 1.00 0.00 C ATOM 1134 OH TYR A 75 2.860 -10.090 -1.435 1.00 0.00 O ATOM 0 H TYR A 75 -2.648 -7.127 2.050 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.549 -6.002 -0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.714 -8.603 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.952 -8.234 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.335 -6.905 -1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.205 -10.405 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.967 -7.822 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.101 -11.310 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 75 3.487 -9.814 -0.734 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.748 -5.521 -1.581 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.977 -4.942 -2.097 1.00 0.00 C ATOM 1146 C VAL A 76 -5.152 -5.349 -3.562 1.00 0.00 C ATOM 1147 O VAL A 76 -4.258 -5.136 -4.379 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.966 -3.426 -1.895 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.388 -2.861 -1.908 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.239 -3.050 -0.602 1.00 0.00 C ATOM 0 H VAL A 76 -2.974 -5.541 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.838 -5.323 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.421 -2.981 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.352 -1.781 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.859 -3.082 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.968 -3.316 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.246 -1.967 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.744 -3.512 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.209 -3.404 -0.648 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.309 -5.927 -3.848 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.612 -6.365 -5.200 1.00 0.00 C ATOM 1162 C LEU A 77 -7.048 -5.160 -6.036 1.00 0.00 C ATOM 1163 O LEU A 77 -7.712 -4.257 -5.530 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.637 -7.501 -5.177 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.402 -8.635 -6.177 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.666 -9.479 -6.355 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.882 -8.093 -7.510 1.00 0.00 C ATOM 0 H LEU A 77 -7.048 -6.102 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.723 -6.778 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.657 -7.926 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.624 -7.077 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.630 -9.291 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.472 -10.278 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.952 -9.912 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.475 -8.849 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.724 -8.920 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.612 -7.402 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.939 -7.570 -7.347 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.657 -5.186 -7.301 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.999 -4.107 -8.213 1.00 0.00 C ATOM 1181 C ARG A 78 -8.517 -3.931 -8.280 1.00 0.00 C ATOM 1182 O ARG A 78 -9.006 -2.864 -8.650 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.461 -4.382 -9.618 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.254 -5.498 -10.300 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.864 -5.012 -11.616 1.00 0.00 C ATOM 1186 NE ARG A 78 -9.339 -4.971 -11.506 1.00 0.00 N ATOM 1187 CZ ARG A 78 -10.181 -5.116 -12.551 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -9.700 -5.313 -13.797 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -11.483 -5.061 -12.337 1.00 0.00 N ATOM 0 H ARG A 78 -6.106 -5.937 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.540 -3.194 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.517 -3.473 -10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.409 -4.662 -9.560 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.600 -6.349 -10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.045 -5.846 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.482 -4.021 -11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.570 -5.675 -12.429 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.745 -4.824 -10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.693 -5.353 -13.954 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.344 -5.422 -14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.839 -4.911 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.133 -5.169 -13.116 1.00 0.00 H new ATOM 1203 N SER A 79 -9.221 -4.993 -7.918 1.00 0.00 N ATOM 1204 CA SER A 79 -10.673 -4.969 -7.933 1.00 0.00 C ATOM 1205 C SER A 79 -11.184 -3.734 -7.188 1.00 0.00 C ATOM 1206 O SER A 79 -11.886 -2.904 -7.763 1.00 0.00 O ATOM 1207 CB SER A 79 -11.252 -6.241 -7.310 1.00 0.00 C ATOM 1208 OG SER A 79 -12.650 -6.126 -7.063 1.00 0.00 O ATOM 0 H SER A 79 -8.812 -5.876 -7.612 1.00 0.00 H new ATOM 0 HA SER A 79 -11.003 -4.922 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.070 -7.086 -7.975 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.735 -6.454 -6.374 1.00 0.00 H new ATOM 0 HG SER A 79 -12.982 -6.959 -6.667 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.811 -3.651 -5.919 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.223 -2.532 -5.089 1.00 0.00 C ATOM 1216 C TYR A 80 -10.011 -1.727 -4.614 1.00 0.00 C ATOM 1217 O TYR A 80 -9.516 -1.940 -3.508 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.923 -3.142 -3.874 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.154 -4.296 -3.227 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.173 -4.033 -2.293 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.442 -5.599 -3.578 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.449 -5.119 -1.684 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.718 -6.685 -2.969 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.757 -6.391 -2.052 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.074 -7.417 -1.477 1.00 0.00 O ATOM 0 H TYR A 80 -10.228 -4.341 -5.446 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.871 -1.857 -5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.082 -2.362 -3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.908 -3.499 -4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.948 -3.013 -2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.210 -5.804 -4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.679 -4.927 -0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.933 -7.710 -3.234 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.272 -7.069 -1.034 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.570 -0.820 -5.473 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.426 0.017 -5.154 1.00 0.00 C ATOM 1237 C LEU A 81 -8.353 1.175 -6.152 1.00 0.00 C ATOM 1238 O LEU A 81 -9.113 1.215 -7.119 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.148 -0.822 -5.092 1.00 0.00 C ATOM 1240 CG LEU A 81 -5.886 -0.165 -5.654 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.226 0.738 -4.610 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -4.916 -1.216 -6.198 1.00 0.00 C ATOM 0 H LEU A 81 -9.984 -0.646 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.540 0.456 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.962 -1.088 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.321 -1.752 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.176 0.470 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.331 1.192 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.924 1.521 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.952 0.145 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.028 -0.722 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.628 -1.895 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.400 -1.780 -6.995 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.432 2.089 -5.884 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.250 3.244 -6.746 1.00 0.00 C ATOM 1256 C ALA A 82 -6.502 2.818 -8.011 1.00 0.00 C ATOM 1257 O ALA A 82 -6.062 1.675 -8.121 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.516 4.345 -5.977 1.00 0.00 C ATOM 0 H ALA A 82 -6.803 2.053 -5.081 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.214 3.649 -7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.379 5.212 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.103 4.632 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.542 3.976 -5.654 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.382 3.761 -8.934 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.695 3.497 -10.187 1.00 0.00 C ATOM 1266 C ASP A 83 -4.271 3.021 -9.893 1.00 0.00 C ATOM 1267 O ASP A 83 -3.818 3.074 -8.750 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.602 4.763 -11.041 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.400 4.723 -12.346 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.559 4.258 -12.288 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -5.834 5.157 -13.372 1.00 0.00 O ATOM 0 H ASP A 83 -6.749 4.708 -8.839 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.260 2.737 -10.727 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.947 5.610 -10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.554 4.946 -11.279 1.00 0.00 H new