USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 429 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 36 ASN : amide:sc= -2.74! X(o=-4.2!,f=-4.6) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -1.5! USER MOD Set 2.1: A 11 LYS NZ :NH3+ 137:sc= 1.59 (180deg=1.08) USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0.425 USER MOD Single : A 7 SER OG : rot 35:sc= 0.0888 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.995 K(o=0.99,f=0) USER MOD Single : A 21 SER OG : rot -104:sc= 1.24 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00455 USER MOD Single : A 27 GLN : amide:sc= -0.637 K(o=-0.64,f=-5.4!) USER MOD Single : A 28 GLN : amide:sc= 0.669 K(o=0.67,f=-0.032) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.45! C(o=-1.4!,f=-5.4!) USER MOD Single : A 70 GLN : amide:sc= -0.0922 X(o=-0.092,f=-0.045) USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -0.134 (180deg=-0.698) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 6.283 4.268 -0.482 1.00 0.00 N ATOM 106 CA SER A 7 6.914 4.165 0.819 1.00 0.00 C ATOM 107 C SER A 7 7.469 2.750 0.991 1.00 0.00 C ATOM 108 O SER A 7 7.047 1.828 0.288 1.00 0.00 O ATOM 109 CB SER A 7 5.910 4.515 1.917 1.00 0.00 C ATOM 110 OG SER A 7 5.395 5.827 1.736 1.00 0.00 O ATOM 0 HA SER A 7 7.740 4.873 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.092 3.795 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.391 4.441 2.892 1.00 0.00 H new ATOM 0 HG SER A 7 5.307 6.015 0.778 1.00 0.00 H new ATOM 116 N GLU A 8 8.410 2.584 1.908 1.00 0.00 N ATOM 117 CA GLU A 8 9.165 1.338 2.015 1.00 0.00 C ATOM 118 C GLU A 8 8.309 0.181 2.519 1.00 0.00 C ATOM 119 O GLU A 8 8.283 -0.885 1.906 1.00 0.00 O ATOM 120 CB GLU A 8 10.382 1.536 2.916 1.00 0.00 C ATOM 121 CG GLU A 8 11.324 2.618 2.414 1.00 0.00 C ATOM 122 CD GLU A 8 11.943 2.283 1.069 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.210 2.244 0.057 1.00 0.00 O ATOM 124 OE2 GLU A 8 13.174 2.087 1.013 1.00 0.00 O ATOM 0 H GLU A 8 8.672 3.295 2.591 1.00 0.00 H new ATOM 0 HA GLU A 8 9.498 1.073 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.045 1.793 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.927 0.595 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.779 3.559 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.117 2.771 3.146 1.00 0.00 H new ATOM 131 N GLU A 9 7.607 0.384 3.629 1.00 0.00 N ATOM 132 CA GLU A 9 6.769 -0.655 4.195 1.00 0.00 C ATOM 133 C GLU A 9 5.626 -1.006 3.247 1.00 0.00 C ATOM 134 O GLU A 9 5.160 -2.145 3.209 1.00 0.00 O ATOM 135 CB GLU A 9 6.238 -0.226 5.563 1.00 0.00 C ATOM 136 CG GLU A 9 5.182 0.872 5.549 1.00 0.00 C ATOM 137 CD GLU A 9 5.687 2.163 4.954 1.00 0.00 C ATOM 138 OE1 GLU A 9 6.475 2.864 5.619 1.00 0.00 O ATOM 139 OE2 GLU A 9 5.314 2.467 3.810 1.00 0.00 O ATOM 0 H GLU A 9 7.605 1.260 4.151 1.00 0.00 H new ATOM 0 HA GLU A 9 7.374 -1.551 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.819 -1.101 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.079 0.112 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.317 0.530 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.842 1.056 6.568 1.00 0.00 H new ATOM 146 N PHE A 10 5.193 -0.008 2.492 1.00 0.00 N ATOM 147 CA PHE A 10 4.209 -0.196 1.428 1.00 0.00 C ATOM 148 C PHE A 10 4.653 -1.315 0.483 1.00 0.00 C ATOM 149 O PHE A 10 3.878 -2.217 0.160 1.00 0.00 O ATOM 150 CB PHE A 10 4.038 1.111 0.641 1.00 0.00 C ATOM 151 CG PHE A 10 2.890 1.102 -0.334 1.00 0.00 C ATOM 152 CD1 PHE A 10 1.583 1.214 0.114 1.00 0.00 C ATOM 153 CD2 PHE A 10 3.119 0.988 -1.697 1.00 0.00 C ATOM 154 CE1 PHE A 10 0.526 1.211 -0.777 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.064 0.986 -2.593 1.00 0.00 C ATOM 156 CZ PHE A 10 0.769 1.096 -2.132 1.00 0.00 C ATOM 0 H PHE A 10 5.511 0.955 2.597 1.00 0.00 H new ATOM 0 HA PHE A 10 3.256 -0.474 1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.894 1.930 1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.960 1.317 0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.388 1.305 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.131 0.900 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.488 1.298 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.255 0.898 -3.652 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.055 1.092 -2.830 1.00 0.00 H new ATOM 166 N LYS A 11 5.911 -1.254 0.059 1.00 0.00 N ATOM 167 CA LYS A 11 6.478 -2.251 -0.841 1.00 0.00 C ATOM 168 C LYS A 11 6.700 -3.577 -0.110 1.00 0.00 C ATOM 169 O LYS A 11 6.508 -4.648 -0.688 1.00 0.00 O ATOM 170 CB LYS A 11 7.806 -1.751 -1.411 1.00 0.00 C ATOM 171 CG LYS A 11 7.762 -0.321 -1.915 1.00 0.00 C ATOM 172 CD LYS A 11 9.152 0.169 -2.272 1.00 0.00 C ATOM 173 CE LYS A 11 9.173 1.664 -2.511 1.00 0.00 C ATOM 174 NZ LYS A 11 10.557 2.200 -2.507 1.00 0.00 N ATOM 0 H LYS A 11 6.563 -0.517 0.328 1.00 0.00 H new ATOM 0 HA LYS A 11 5.773 -2.414 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.573 -1.830 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.107 -2.405 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.114 -0.259 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.329 0.325 -1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.844 -0.081 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.502 -0.348 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.699 1.887 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.587 2.164 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.669 2.878 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.741 2.679 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.232 1.418 -2.628 1.00 0.00 H new ATOM 188 N ARG A 12 7.107 -3.499 1.161 1.00 0.00 N ATOM 189 CA ARG A 12 7.332 -4.699 1.972 1.00 0.00 C ATOM 190 C ARG A 12 6.069 -5.552 2.017 1.00 0.00 C ATOM 191 O ARG A 12 6.116 -6.771 1.838 1.00 0.00 O ATOM 192 CB ARG A 12 7.734 -4.348 3.411 1.00 0.00 C ATOM 193 CG ARG A 12 8.990 -3.501 3.551 1.00 0.00 C ATOM 194 CD ARG A 12 9.411 -3.422 5.012 1.00 0.00 C ATOM 195 NE ARG A 12 10.316 -2.307 5.291 1.00 0.00 N ATOM 196 CZ ARG A 12 11.246 -2.328 6.253 1.00 0.00 C ATOM 197 NH1 ARG A 12 11.517 -3.457 6.898 1.00 0.00 N ATOM 198 NH2 ARG A 12 11.923 -1.226 6.554 1.00 0.00 N ATOM 0 H ARG A 12 7.287 -2.621 1.649 1.00 0.00 H new ATOM 0 HA ARG A 12 8.147 -5.251 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.906 -3.819 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.878 -5.275 3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.796 -3.931 2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.807 -2.499 3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.522 -3.325 5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.897 -4.356 5.294 1.00 0.00 H new ATOM 0 HE ARG A 12 10.233 -1.466 4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.015 -4.313 6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.227 -3.468 7.631 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.735 -0.359 6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.631 -1.247 7.288 1.00 0.00 H new ATOM 212 N ASP A 13 4.938 -4.893 2.250 1.00 0.00 N ATOM 213 CA ASP A 13 3.654 -5.577 2.338 1.00 0.00 C ATOM 214 C ASP A 13 3.302 -6.247 1.017 1.00 0.00 C ATOM 215 O ASP A 13 2.740 -7.339 1.001 1.00 0.00 O ATOM 216 CB ASP A 13 2.552 -4.594 2.739 1.00 0.00 C ATOM 217 CG ASP A 13 1.174 -5.226 2.747 1.00 0.00 C ATOM 218 OD1 ASP A 13 0.930 -6.135 3.574 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.327 -4.816 1.929 1.00 0.00 O ATOM 0 H ASP A 13 4.886 -3.883 2.382 1.00 0.00 H new ATOM 0 HA ASP A 13 3.735 -6.349 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.770 -4.196 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.556 -3.750 2.049 1.00 0.00 H new ATOM 224 N ALA A 14 3.657 -5.598 -0.087 1.00 0.00 N ATOM 225 CA ALA A 14 3.400 -6.142 -1.417 1.00 0.00 C ATOM 226 C ALA A 14 4.168 -7.442 -1.633 1.00 0.00 C ATOM 227 O ALA A 14 3.654 -8.385 -2.233 1.00 0.00 O ATOM 228 CB ALA A 14 3.763 -5.121 -2.484 1.00 0.00 C ATOM 0 H ALA A 14 4.125 -4.692 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 14 2.336 -6.364 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.566 -5.540 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.163 -4.221 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.820 -4.869 -2.401 1.00 0.00 H new ATOM 234 N VAL A 15 5.393 -7.495 -1.129 1.00 0.00 N ATOM 235 CA VAL A 15 6.196 -8.704 -1.215 1.00 0.00 C ATOM 236 C VAL A 15 5.598 -9.796 -0.330 1.00 0.00 C ATOM 237 O VAL A 15 5.535 -10.963 -0.716 1.00 0.00 O ATOM 238 CB VAL A 15 7.667 -8.441 -0.812 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.493 -9.710 -0.921 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.270 -7.338 -1.672 1.00 0.00 C ATOM 0 H VAL A 15 5.851 -6.715 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 15 6.188 -9.035 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 15 7.679 -8.114 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.523 -9.500 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.079 -10.471 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.471 -10.071 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.304 -7.168 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.239 -7.636 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.698 -6.419 -1.539 1.00 0.00 H new ATOM 250 N ALA A 16 5.121 -9.399 0.846 1.00 0.00 N ATOM 251 CA ALA A 16 4.469 -10.329 1.761 1.00 0.00 C ATOM 252 C ALA A 16 3.142 -10.811 1.181 1.00 0.00 C ATOM 253 O ALA A 16 2.677 -11.908 1.483 1.00 0.00 O ATOM 254 CB ALA A 16 4.256 -9.679 3.120 1.00 0.00 C ATOM 0 H ALA A 16 5.174 -8.439 1.187 1.00 0.00 H new ATOM 0 HA ALA A 16 5.119 -11.194 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.768 -10.387 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.219 -9.388 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.628 -8.796 3.006 1.00 0.00 H new ATOM 260 N LEU A 17 2.537 -9.979 0.342 1.00 0.00 N ATOM 261 CA LEU A 17 1.325 -10.360 -0.371 1.00 0.00 C ATOM 262 C LEU A 17 1.614 -11.506 -1.327 1.00 0.00 C ATOM 263 O LEU A 17 0.770 -12.373 -1.546 1.00 0.00 O ATOM 264 CB LEU A 17 0.753 -9.167 -1.143 1.00 0.00 C ATOM 265 CG LEU A 17 0.078 -8.093 -0.286 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.339 -6.909 -1.146 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.126 -8.669 0.443 1.00 0.00 C ATOM 0 H LEU A 17 2.867 -9.035 0.139 1.00 0.00 H new ATOM 0 HA LEU A 17 0.587 -10.686 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.560 -8.702 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.028 -9.538 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 17 0.796 -7.746 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.817 -6.155 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.541 -6.479 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.040 -7.244 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.592 -7.891 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.846 -9.045 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.804 -9.485 1.089 1.00 0.00 H new ATOM 279 N TYR A 18 2.824 -11.520 -1.873 1.00 0.00 N ATOM 280 CA TYR A 18 3.236 -12.574 -2.786 1.00 0.00 C ATOM 281 C TYR A 18 3.403 -13.890 -2.027 1.00 0.00 C ATOM 282 O TYR A 18 3.239 -14.972 -2.591 1.00 0.00 O ATOM 283 CB TYR A 18 4.545 -12.198 -3.490 1.00 0.00 C ATOM 284 CG TYR A 18 4.906 -13.122 -4.633 1.00 0.00 C ATOM 285 CD1 TYR A 18 4.313 -12.970 -5.880 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.837 -14.142 -4.471 1.00 0.00 C ATOM 287 CE1 TYR A 18 4.633 -13.808 -6.930 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.163 -14.983 -5.518 1.00 0.00 C ATOM 289 CZ TYR A 18 5.559 -14.812 -6.746 1.00 0.00 C ATOM 290 OH TYR A 18 5.876 -15.653 -7.789 1.00 0.00 O ATOM 0 H TYR A 18 3.536 -10.811 -1.698 1.00 0.00 H new ATOM 0 HA TYR A 18 2.462 -12.698 -3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.464 -11.179 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.355 -12.203 -2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.589 -12.183 -6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.313 -14.279 -3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.159 -13.677 -7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.888 -15.771 -5.375 1.00 0.00 H new ATOM 0 HH TYR A 18 6.546 -16.304 -7.492 1.00 0.00 H new ATOM 300 N GLU A 19 3.717 -13.791 -0.739 1.00 0.00 N ATOM 301 CA GLU A 19 3.830 -14.972 0.111 1.00 0.00 C ATOM 302 C GLU A 19 2.449 -15.562 0.377 1.00 0.00 C ATOM 303 O GLU A 19 2.313 -16.737 0.707 1.00 0.00 O ATOM 304 CB GLU A 19 4.508 -14.624 1.439 1.00 0.00 C ATOM 305 CG GLU A 19 5.894 -14.029 1.280 1.00 0.00 C ATOM 306 CD GLU A 19 6.587 -13.825 2.612 1.00 0.00 C ATOM 307 OE1 GLU A 19 6.363 -12.780 3.254 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.358 -14.720 3.027 1.00 0.00 O ATOM 0 H GLU A 19 3.897 -12.908 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 19 4.442 -15.708 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.880 -13.919 1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.577 -15.525 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.499 -14.685 0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.820 -13.073 0.761 1.00 0.00 H new ATOM 315 N ASN A 20 1.425 -14.736 0.206 1.00 0.00 N ATOM 316 CA ASN A 20 0.044 -15.143 0.437 1.00 0.00 C ATOM 317 C ASN A 20 -0.654 -15.448 -0.887 1.00 0.00 C ATOM 318 O ASN A 20 -1.880 -15.461 -0.968 1.00 0.00 O ATOM 319 CB ASN A 20 -0.715 -14.048 1.197 1.00 0.00 C ATOM 320 CG ASN A 20 -0.326 -13.968 2.661 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.929 -14.626 3.512 1.00 0.00 O ATOM 322 ND2 ASN A 20 0.681 -13.170 2.970 1.00 0.00 N ATOM 0 H ASN A 20 1.527 -13.767 -0.096 1.00 0.00 H new ATOM 0 HA ASN A 20 0.049 -16.049 1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.525 -13.085 0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.786 -14.235 1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.984 -13.083 3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.156 -12.641 2.238 1.00 0.00 H new ATOM 329 N SER A 21 0.143 -15.727 -1.911 1.00 0.00 N ATOM 330 CA SER A 21 -0.371 -16.039 -3.243 1.00 0.00 C ATOM 331 C SER A 21 -1.152 -17.352 -3.258 1.00 0.00 C ATOM 332 O SER A 21 -1.816 -17.676 -4.243 1.00 0.00 O ATOM 333 CB SER A 21 0.779 -16.089 -4.243 1.00 0.00 C ATOM 334 OG SER A 21 1.837 -16.911 -3.775 1.00 0.00 O ATOM 0 H SER A 21 1.161 -15.744 -1.844 1.00 0.00 H new ATOM 0 HA SER A 21 -1.064 -15.248 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.416 -16.469 -5.198 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.152 -15.080 -4.422 1.00 0.00 H new ATOM 0 HG SER A 21 2.576 -16.348 -3.463 1.00 0.00 H new ATOM 340 N ASP A 22 -1.043 -18.102 -2.167 1.00 0.00 N ATOM 341 CA ASP A 22 -1.730 -19.389 -2.005 1.00 0.00 C ATOM 342 C ASP A 22 -3.176 -19.328 -2.485 1.00 0.00 C ATOM 343 O ASP A 22 -3.649 -20.227 -3.178 1.00 0.00 O ATOM 344 CB ASP A 22 -1.705 -19.813 -0.536 1.00 0.00 C ATOM 345 CG ASP A 22 -2.421 -21.128 -0.291 1.00 0.00 C ATOM 346 OD1 ASP A 22 -3.642 -21.108 -0.026 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.764 -22.184 -0.356 1.00 0.00 O ATOM 0 H ASP A 22 -0.474 -17.838 -1.363 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.200 -20.119 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.670 -19.901 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.168 -19.034 0.070 1.00 0.00 H new ATOM 352 N GLY A 23 -3.861 -18.253 -2.141 1.00 0.00 N ATOM 353 CA GLY A 23 -5.243 -18.097 -2.540 1.00 0.00 C ATOM 354 C GLY A 23 -5.479 -16.806 -3.295 1.00 0.00 C ATOM 355 O GLY A 23 -6.551 -16.209 -3.184 1.00 0.00 O ATOM 0 H GLY A 23 -3.484 -17.481 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.536 -18.940 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.879 -18.120 -1.655 1.00 0.00 H new ATOM 359 N ALA A 24 -4.480 -16.368 -4.055 1.00 0.00 N ATOM 360 CA ALA A 24 -4.588 -15.126 -4.807 1.00 0.00 C ATOM 361 C ALA A 24 -3.608 -15.106 -5.975 1.00 0.00 C ATOM 362 O ALA A 24 -2.422 -15.397 -5.815 1.00 0.00 O ATOM 363 CB ALA A 24 -4.352 -13.927 -3.895 1.00 0.00 C ATOM 0 H ALA A 24 -3.590 -16.854 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.598 -15.064 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.437 -13.007 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.096 -13.924 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.355 -13.991 -3.460 1.00 0.00 H new ATOM 369 N SER A 25 -4.118 -14.789 -7.151 1.00 0.00 N ATOM 370 CA SER A 25 -3.288 -14.638 -8.337 1.00 0.00 C ATOM 371 C SER A 25 -2.446 -13.366 -8.248 1.00 0.00 C ATOM 372 O SER A 25 -2.811 -12.415 -7.548 1.00 0.00 O ATOM 373 CB SER A 25 -4.173 -14.601 -9.590 1.00 0.00 C ATOM 374 OG SER A 25 -3.412 -14.360 -10.762 1.00 0.00 O ATOM 0 H SER A 25 -5.112 -14.629 -7.313 1.00 0.00 H new ATOM 0 HA SER A 25 -2.613 -15.491 -8.401 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.704 -15.548 -9.689 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.928 -13.823 -9.480 1.00 0.00 H new ATOM 0 HG SER A 25 -4.007 -14.345 -11.541 1.00 0.00 H new ATOM 380 N LEU A 26 -1.324 -13.347 -8.965 1.00 0.00 N ATOM 381 CA LEU A 26 -0.460 -12.172 -8.998 1.00 0.00 C ATOM 382 C LEU A 26 -1.242 -10.981 -9.544 1.00 0.00 C ATOM 383 O LEU A 26 -1.121 -9.859 -9.047 1.00 0.00 O ATOM 384 CB LEU A 26 0.790 -12.446 -9.851 1.00 0.00 C ATOM 385 CG LEU A 26 1.905 -11.391 -9.778 1.00 0.00 C ATOM 386 CD1 LEU A 26 3.231 -12.014 -10.181 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.604 -10.207 -10.684 1.00 0.00 C ATOM 0 H LEU A 26 -0.994 -14.130 -9.529 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.128 -11.941 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.207 -13.407 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.480 -12.546 -10.891 1.00 0.00 H new ATOM 0 HG LEU A 26 1.962 -11.031 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.018 -11.262 -10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.468 -12.835 -9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.160 -12.393 -11.201 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.411 -9.478 -10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.518 -10.550 -11.715 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.667 -9.743 -10.377 1.00 0.00 H new ATOM 399 N GLN A 27 -2.068 -11.246 -10.551 1.00 0.00 N ATOM 400 CA GLN A 27 -2.910 -10.215 -11.134 1.00 0.00 C ATOM 401 C GLN A 27 -3.826 -9.636 -10.070 1.00 0.00 C ATOM 402 O GLN A 27 -3.980 -8.425 -9.968 1.00 0.00 O ATOM 403 CB GLN A 27 -3.753 -10.776 -12.282 1.00 0.00 C ATOM 404 CG GLN A 27 -4.536 -9.706 -13.028 1.00 0.00 C ATOM 405 CD GLN A 27 -3.640 -8.807 -13.856 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.578 -9.224 -14.322 1.00 0.00 O ATOM 407 NE2 GLN A 27 -4.066 -7.570 -14.047 1.00 0.00 N ATOM 0 H GLN A 27 -2.170 -12.167 -10.978 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.263 -9.432 -11.530 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.100 -11.295 -12.984 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.448 -11.516 -11.886 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.269 -10.183 -13.679 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.092 -9.101 -12.312 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.952 -7.268 -13.642 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.509 -6.918 -14.599 1.00 0.00 H new ATOM 416 N GLN A 28 -4.405 -10.517 -9.258 1.00 0.00 N ATOM 417 CA GLN A 28 -5.332 -10.111 -8.209 1.00 0.00 C ATOM 418 C GLN A 28 -4.636 -9.235 -7.172 1.00 0.00 C ATOM 419 O GLN A 28 -5.222 -8.277 -6.670 1.00 0.00 O ATOM 420 CB GLN A 28 -5.943 -11.344 -7.536 1.00 0.00 C ATOM 421 CG GLN A 28 -6.937 -11.018 -6.428 1.00 0.00 C ATOM 422 CD GLN A 28 -8.114 -10.196 -6.916 1.00 0.00 C ATOM 423 OE1 GLN A 28 -9.124 -10.741 -7.355 1.00 0.00 O ATOM 424 NE2 GLN A 28 -7.996 -8.880 -6.840 1.00 0.00 N ATOM 0 H GLN A 28 -4.246 -11.523 -9.309 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.129 -9.526 -8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.444 -11.947 -8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.140 -11.954 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.305 -11.947 -5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.424 -10.474 -5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.141 -8.465 -6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.760 -8.281 -7.152 1.00 0.00 H new ATOM 433 N ILE A 29 -3.391 -9.567 -6.853 1.00 0.00 N ATOM 434 CA ILE A 29 -2.617 -8.782 -5.898 1.00 0.00 C ATOM 435 C ILE A 29 -2.424 -7.356 -6.408 1.00 0.00 C ATOM 436 O ILE A 29 -2.722 -6.389 -5.706 1.00 0.00 O ATOM 437 CB ILE A 29 -1.241 -9.421 -5.613 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.409 -10.837 -5.050 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.443 -8.560 -4.645 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.171 -10.891 -3.741 1.00 0.00 C ATOM 0 H ILE A 29 -2.897 -10.371 -7.240 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.182 -8.761 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.694 -9.486 -6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.927 -11.451 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.423 -11.279 -4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.524 -9.026 -4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.291 -7.571 -5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.990 -8.465 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.248 -11.926 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.643 -10.305 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.171 -10.481 -3.885 1.00 0.00 H new ATOM 452 N ALA A 30 -1.951 -7.235 -7.642 1.00 0.00 N ATOM 453 CA ALA A 30 -1.746 -5.929 -8.260 1.00 0.00 C ATOM 454 C ALA A 30 -3.076 -5.219 -8.492 1.00 0.00 C ATOM 455 O ALA A 30 -3.180 -4.002 -8.359 1.00 0.00 O ATOM 456 CB ALA A 30 -0.992 -6.081 -9.572 1.00 0.00 C ATOM 0 H ALA A 30 -1.702 -8.026 -8.236 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.151 -5.320 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.845 -5.100 -10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.023 -6.542 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.567 -6.710 -10.251 1.00 0.00 H new ATOM 462 N ASN A 31 -4.089 -6.006 -8.814 1.00 0.00 N ATOM 463 CA ASN A 31 -5.433 -5.501 -9.089 1.00 0.00 C ATOM 464 C ASN A 31 -6.056 -4.914 -7.825 1.00 0.00 C ATOM 465 O ASN A 31 -6.781 -3.919 -7.875 1.00 0.00 O ATOM 466 CB ASN A 31 -6.303 -6.645 -9.615 1.00 0.00 C ATOM 467 CG ASN A 31 -7.585 -6.181 -10.274 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.605 -5.993 -9.610 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.543 -6.016 -11.588 1.00 0.00 N ATOM 0 H ASN A 31 -4.006 -7.020 -8.894 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.369 -4.712 -9.838 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.726 -7.228 -10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.550 -7.311 -8.789 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.379 -5.721 -12.092 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.674 -6.184 -12.096 1.00 0.00 H new ATOM 476 N ASP A 32 -5.755 -5.535 -6.690 1.00 0.00 N ATOM 477 CA ASP A 32 -6.302 -5.104 -5.403 1.00 0.00 C ATOM 478 C ASP A 32 -5.601 -3.843 -4.914 1.00 0.00 C ATOM 479 O ASP A 32 -6.219 -2.980 -4.285 1.00 0.00 O ATOM 480 CB ASP A 32 -6.150 -6.221 -4.365 1.00 0.00 C ATOM 481 CG ASP A 32 -6.833 -5.905 -3.047 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.069 -6.075 -2.960 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.138 -5.522 -2.083 1.00 0.00 O ATOM 0 H ASP A 32 -5.133 -6.342 -6.632 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.361 -4.882 -5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.564 -7.144 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.090 -6.400 -4.185 1.00 0.00 H new ATOM 488 N LEU A 33 -4.315 -3.740 -5.218 1.00 0.00 N ATOM 489 CA LEU A 33 -3.528 -2.585 -4.836 1.00 0.00 C ATOM 490 C LEU A 33 -3.745 -1.446 -5.832 1.00 0.00 C ATOM 491 O LEU A 33 -3.555 -0.275 -5.505 1.00 0.00 O ATOM 492 CB LEU A 33 -2.047 -2.971 -4.758 1.00 0.00 C ATOM 493 CG LEU A 33 -1.129 -1.905 -4.172 1.00 0.00 C ATOM 494 CD1 LEU A 33 -1.554 -1.553 -2.756 1.00 0.00 C ATOM 495 CD2 LEU A 33 0.316 -2.377 -4.191 1.00 0.00 C ATOM 0 H LEU A 33 -3.795 -4.451 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.848 -2.239 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.955 -3.877 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.699 -3.216 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.208 -1.009 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.887 -0.790 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.575 -1.172 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.505 -2.444 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.957 -1.603 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.409 -3.288 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.619 -2.579 -5.218 1.00 0.00 H new ATOM 507 N GLY A 34 -4.134 -1.805 -7.050 1.00 0.00 N ATOM 508 CA GLY A 34 -4.489 -0.811 -8.047 1.00 0.00 C ATOM 509 C GLY A 34 -3.339 -0.461 -8.972 1.00 0.00 C ATOM 510 O GLY A 34 -3.432 0.486 -9.754 1.00 0.00 O ATOM 0 H GLY A 34 -4.210 -2.772 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.325 -1.182 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.832 0.093 -7.544 1.00 0.00 H new ATOM 514 N ILE A 35 -2.258 -1.225 -8.901 1.00 0.00 N ATOM 515 CA ILE A 35 -1.079 -0.935 -9.706 1.00 0.00 C ATOM 516 C ILE A 35 -0.892 -1.974 -10.804 1.00 0.00 C ATOM 517 O ILE A 35 -1.573 -3.000 -10.825 1.00 0.00 O ATOM 518 CB ILE A 35 0.204 -0.871 -8.853 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.452 -2.208 -8.148 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.110 0.262 -7.843 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.786 -2.279 -7.438 1.00 0.00 C ATOM 0 H ILE A 35 -2.172 -2.044 -8.299 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.249 0.044 -10.155 1.00 0.00 H new ATOM 0 HB ILE A 35 1.049 -0.675 -9.513 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.345 -2.381 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.397 -3.012 -8.882 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.022 0.295 -7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.015 1.209 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.745 0.095 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.893 -3.253 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.590 -2.138 -8.160 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.837 -1.497 -6.680 1.00 0.00 H new ATOM 533 N ASN A 36 0.029 -1.696 -11.715 1.00 0.00 N ATOM 534 CA ASN A 36 0.334 -2.599 -12.807 1.00 0.00 C ATOM 535 C ASN A 36 0.980 -3.877 -12.283 1.00 0.00 C ATOM 536 O ASN A 36 1.761 -3.842 -11.329 1.00 0.00 O ATOM 537 CB ASN A 36 1.274 -1.890 -13.780 1.00 0.00 C ATOM 538 CG ASN A 36 1.770 -2.773 -14.903 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.087 -3.696 -15.350 1.00 0.00 O ATOM 540 ND2 ASN A 36 2.973 -2.498 -15.361 1.00 0.00 N ATOM 0 H ASN A 36 0.583 -0.839 -11.715 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.588 -2.876 -13.319 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.758 -1.030 -14.207 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.131 -1.505 -13.227 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.372 -3.058 -16.114 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.506 -1.725 -14.963 1.00 0.00 H new ATOM 547 N ARG A 37 0.657 -4.998 -12.920 1.00 0.00 N ATOM 548 CA ARG A 37 1.186 -6.289 -12.531 1.00 0.00 C ATOM 549 C ARG A 37 2.707 -6.311 -12.639 1.00 0.00 C ATOM 550 O ARG A 37 3.390 -6.924 -11.819 1.00 0.00 O ATOM 551 CB ARG A 37 0.573 -7.385 -13.403 1.00 0.00 C ATOM 552 CG ARG A 37 0.847 -7.227 -14.892 1.00 0.00 C ATOM 553 CD ARG A 37 0.252 -8.374 -15.691 1.00 0.00 C ATOM 554 NE ARG A 37 0.590 -8.288 -17.113 1.00 0.00 N ATOM 555 CZ ARG A 37 0.555 -9.322 -17.955 1.00 0.00 C ATOM 556 NH1 ARG A 37 0.161 -10.520 -17.529 1.00 0.00 N ATOM 557 NH2 ARG A 37 0.908 -9.148 -19.226 1.00 0.00 N ATOM 0 H ARG A 37 0.022 -5.031 -13.718 1.00 0.00 H new ATOM 0 HA ARG A 37 0.921 -6.472 -11.490 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.957 -8.351 -13.075 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.505 -7.400 -13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.429 -6.283 -15.242 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.923 -7.182 -15.063 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.613 -9.321 -15.290 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.832 -8.372 -15.576 1.00 0.00 H new ATOM 0 HE ARG A 37 0.870 -7.380 -17.483 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.115 -10.650 -16.556 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.136 -11.308 -18.176 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.203 -8.228 -19.552 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.883 -9.935 -19.874 1.00 0.00 H new ATOM 571 N VAL A 38 3.232 -5.615 -13.640 1.00 0.00 N ATOM 572 CA VAL A 38 4.670 -5.560 -13.861 1.00 0.00 C ATOM 573 C VAL A 38 5.331 -4.670 -12.812 1.00 0.00 C ATOM 574 O VAL A 38 6.395 -4.998 -12.292 1.00 0.00 O ATOM 575 CB VAL A 38 5.009 -5.039 -15.275 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.510 -5.046 -15.511 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.293 -5.868 -16.334 1.00 0.00 C ATOM 0 H VAL A 38 2.682 -5.080 -14.312 1.00 0.00 H new ATOM 0 HA VAL A 38 5.056 -6.576 -13.773 1.00 0.00 H new ATOM 0 HB VAL A 38 4.662 -4.009 -15.351 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.722 -4.675 -16.514 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.997 -4.405 -14.776 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.889 -6.063 -15.413 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.543 -5.487 -17.324 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.607 -6.909 -16.255 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.216 -5.802 -16.181 1.00 0.00 H new ATOM 587 N THR A 39 4.677 -3.563 -12.482 1.00 0.00 N ATOM 588 CA THR A 39 5.184 -2.655 -11.463 1.00 0.00 C ATOM 589 C THR A 39 5.236 -3.352 -10.104 1.00 0.00 C ATOM 590 O THR A 39 6.193 -3.185 -9.348 1.00 0.00 O ATOM 591 CB THR A 39 4.299 -1.400 -11.376 1.00 0.00 C ATOM 592 OG1 THR A 39 4.112 -0.859 -12.691 1.00 0.00 O ATOM 593 CG2 THR A 39 4.924 -0.346 -10.472 1.00 0.00 C ATOM 0 H THR A 39 3.795 -3.273 -12.905 1.00 0.00 H new ATOM 0 HA THR A 39 6.194 -2.355 -11.742 1.00 0.00 H new ATOM 0 HB THR A 39 3.337 -1.685 -10.949 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.547 -0.060 -12.639 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.275 0.529 -10.431 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.047 -0.754 -9.469 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.897 -0.057 -10.869 1.00 0.00 H new ATOM 601 N LEU A 40 4.206 -4.144 -9.810 1.00 0.00 N ATOM 602 CA LEU A 40 4.184 -4.952 -8.597 1.00 0.00 C ATOM 603 C LEU A 40 5.337 -5.946 -8.616 1.00 0.00 C ATOM 604 O LEU A 40 6.075 -6.084 -7.640 1.00 0.00 O ATOM 605 CB LEU A 40 2.859 -5.712 -8.483 1.00 0.00 C ATOM 606 CG LEU A 40 2.743 -6.638 -7.273 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.594 -5.834 -5.992 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.577 -7.595 -7.452 1.00 0.00 C ATOM 0 H LEU A 40 3.377 -4.242 -10.396 1.00 0.00 H new ATOM 0 HA LEU A 40 4.287 -4.289 -7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.045 -4.988 -8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.718 -6.303 -9.388 1.00 0.00 H new ATOM 0 HG LEU A 40 3.659 -7.224 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.513 -6.513 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.466 -5.193 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.696 -5.219 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.506 -8.249 -6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.653 -7.027 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.735 -8.197 -8.347 1.00 0.00 H new ATOM 620 N LYS A 41 5.483 -6.617 -9.754 1.00 0.00 N ATOM 621 CA LYS A 41 6.520 -7.620 -9.944 1.00 0.00 C ATOM 622 C LYS A 41 7.901 -7.023 -9.712 1.00 0.00 C ATOM 623 O LYS A 41 8.760 -7.645 -9.093 1.00 0.00 O ATOM 624 CB LYS A 41 6.441 -8.186 -11.363 1.00 0.00 C ATOM 625 CG LYS A 41 7.247 -9.458 -11.562 1.00 0.00 C ATOM 626 CD LYS A 41 7.227 -9.903 -13.013 1.00 0.00 C ATOM 627 CE LYS A 41 7.969 -11.214 -13.202 1.00 0.00 C ATOM 628 NZ LYS A 41 8.022 -11.624 -14.627 1.00 0.00 N ATOM 0 H LYS A 41 4.885 -6.479 -10.569 1.00 0.00 H new ATOM 0 HA LYS A 41 6.360 -8.419 -9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.398 -8.386 -11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.793 -7.430 -12.066 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.276 -9.292 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.843 -10.250 -10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.195 -10.016 -13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.681 -9.133 -13.637 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.983 -11.115 -12.816 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.480 -11.994 -12.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.537 -12.524 -14.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.055 -11.744 -14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.511 -10.892 -15.181 1.00 0.00 H new ATOM 642 N ASN A 42 8.097 -5.811 -10.214 1.00 0.00 N ATOM 643 CA ASN A 42 9.370 -5.105 -10.076 1.00 0.00 C ATOM 644 C ASN A 42 9.796 -4.994 -8.612 1.00 0.00 C ATOM 645 O ASN A 42 10.956 -5.251 -8.279 1.00 0.00 O ATOM 646 CB ASN A 42 9.288 -3.711 -10.710 1.00 0.00 C ATOM 647 CG ASN A 42 9.344 -3.753 -12.227 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.946 -4.651 -12.817 1.00 0.00 O ATOM 649 ND2 ASN A 42 8.730 -2.771 -12.871 1.00 0.00 N ATOM 0 H ASN A 42 7.385 -5.290 -10.726 1.00 0.00 H new ATOM 0 HA ASN A 42 10.125 -5.689 -10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.362 -3.228 -10.398 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.108 -3.098 -10.337 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.746 -2.741 -13.890 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.242 -2.045 -12.347 1.00 0.00 H new ATOM 656 N TRP A 43 8.862 -4.632 -7.736 1.00 0.00 N ATOM 657 CA TRP A 43 9.160 -4.557 -6.307 1.00 0.00 C ATOM 658 C TRP A 43 9.474 -5.942 -5.753 1.00 0.00 C ATOM 659 O TRP A 43 10.424 -6.118 -4.986 1.00 0.00 O ATOM 660 CB TRP A 43 7.997 -3.944 -5.516 1.00 0.00 C ATOM 661 CG TRP A 43 7.795 -2.476 -5.753 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.674 -1.601 -6.326 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.641 -1.704 -5.394 1.00 0.00 C ATOM 664 NE1 TRP A 43 8.129 -0.341 -6.368 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.883 -0.378 -5.799 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.423 -2.008 -4.775 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.950 0.640 -5.608 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.501 -0.996 -4.584 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.769 0.313 -4.999 1.00 0.00 C ATOM 0 H TRP A 43 7.903 -4.389 -7.985 1.00 0.00 H new ATOM 0 HA TRP A 43 10.031 -3.911 -6.193 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.079 -4.472 -5.775 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.170 -4.108 -4.452 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.656 -1.862 -6.693 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.578 0.487 -6.759 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.207 -3.016 -4.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.152 1.651 -5.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.558 -1.219 -4.107 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.028 1.082 -4.835 1.00 0.00 H new ATOM 680 N ILE A 44 8.681 -6.924 -6.165 1.00 0.00 N ATOM 681 CA ILE A 44 8.841 -8.289 -5.693 1.00 0.00 C ATOM 682 C ILE A 44 10.209 -8.845 -6.088 1.00 0.00 C ATOM 683 O ILE A 44 10.869 -9.498 -5.290 1.00 0.00 O ATOM 684 CB ILE A 44 7.725 -9.209 -6.238 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.345 -8.686 -5.818 1.00 0.00 C ATOM 686 CG2 ILE A 44 7.929 -10.642 -5.756 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.193 -9.478 -6.390 1.00 0.00 C ATOM 0 H ILE A 44 7.917 -6.796 -6.829 1.00 0.00 H new ATOM 0 HA ILE A 44 8.768 -8.266 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 44 7.775 -9.205 -7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.278 -8.699 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.250 -7.646 -6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.134 -11.275 -6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.893 -11.010 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.906 -10.666 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.251 -9.048 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.234 -9.445 -7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.262 -10.513 -6.056 1.00 0.00 H new ATOM 699 N ILE A 45 10.641 -8.555 -7.310 1.00 0.00 N ATOM 700 CA ILE A 45 11.913 -9.067 -7.816 1.00 0.00 C ATOM 701 C ILE A 45 13.110 -8.381 -7.150 1.00 0.00 C ATOM 702 O ILE A 45 14.158 -8.997 -6.952 1.00 0.00 O ATOM 703 CB ILE A 45 12.014 -8.909 -9.353 1.00 0.00 C ATOM 704 CG1 ILE A 45 10.916 -9.725 -10.038 1.00 0.00 C ATOM 705 CG2 ILE A 45 13.388 -9.339 -9.864 1.00 0.00 C ATOM 706 CD1 ILE A 45 10.917 -9.612 -11.547 1.00 0.00 C ATOM 0 H ILE A 45 10.131 -7.968 -7.970 1.00 0.00 H new ATOM 0 HA ILE A 45 11.941 -10.128 -7.567 1.00 0.00 H new ATOM 0 HB ILE A 45 11.880 -7.855 -9.595 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.031 -10.773 -9.762 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.947 -9.400 -9.660 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.428 -9.217 -10.946 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.158 -8.722 -9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.559 -10.385 -9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.110 -10.219 -11.958 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.770 -8.571 -11.834 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.871 -9.965 -11.938 1.00 0.00 H new ATOM 718 N LYS A 46 12.959 -7.108 -6.807 1.00 0.00 N ATOM 719 CA LYS A 46 14.067 -6.352 -6.233 1.00 0.00 C ATOM 720 C LYS A 46 14.181 -6.569 -4.723 1.00 0.00 C ATOM 721 O LYS A 46 15.276 -6.803 -4.202 1.00 0.00 O ATOM 722 CB LYS A 46 13.915 -4.858 -6.529 1.00 0.00 C ATOM 723 CG LYS A 46 15.120 -4.040 -6.089 1.00 0.00 C ATOM 724 CD LYS A 46 14.931 -2.554 -6.339 1.00 0.00 C ATOM 725 CE LYS A 46 16.154 -1.762 -5.897 1.00 0.00 C ATOM 726 NZ LYS A 46 15.984 -0.303 -6.124 1.00 0.00 N ATOM 0 H LYS A 46 12.092 -6.582 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 46 14.981 -6.720 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.759 -4.719 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.024 -4.482 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.302 -4.207 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.005 -4.386 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.746 -2.381 -7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.052 -2.201 -5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.341 -1.945 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.030 -2.114 -6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.839 0.199 -5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.831 -0.125 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.163 0.039 -5.584 1.00 0.00 H new ATOM 740 N TYR A 47 13.060 -6.475 -4.023 1.00 0.00 N ATOM 741 CA TYR A 47 13.056 -6.595 -2.567 1.00 0.00 C ATOM 742 C TYR A 47 12.959 -8.056 -2.129 1.00 0.00 C ATOM 743 O TYR A 47 13.604 -8.467 -1.168 1.00 0.00 O ATOM 744 CB TYR A 47 11.904 -5.777 -1.970 1.00 0.00 C ATOM 745 CG TYR A 47 12.062 -4.281 -2.144 1.00 0.00 C ATOM 746 CD1 TYR A 47 11.759 -3.662 -3.352 1.00 0.00 C ATOM 747 CD2 TYR A 47 12.513 -3.486 -1.096 1.00 0.00 C ATOM 748 CE1 TYR A 47 11.902 -2.297 -3.511 1.00 0.00 C ATOM 749 CE2 TYR A 47 12.658 -2.121 -1.247 1.00 0.00 C ATOM 750 CZ TYR A 47 12.351 -1.531 -2.455 1.00 0.00 C ATOM 751 OH TYR A 47 12.494 -0.170 -2.607 1.00 0.00 O ATOM 0 H TYR A 47 12.141 -6.316 -4.436 1.00 0.00 H new ATOM 0 HA TYR A 47 14.000 -6.199 -2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.969 -6.091 -2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.823 -6.003 -0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.406 -4.259 -4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.754 -3.944 -0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.664 -1.832 -4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 47 13.010 -1.518 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 47 12.819 0.220 -1.769 1.00 0.00 H new ATOM 761 N GLY A 48 12.174 -8.839 -2.853 1.00 0.00 N ATOM 762 CA GLY A 48 12.059 -10.254 -2.557 1.00 0.00 C ATOM 763 C GLY A 48 12.741 -11.093 -3.616 1.00 0.00 C ATOM 764 O GLY A 48 12.138 -12.001 -4.184 1.00 0.00 O ATOM 0 H GLY A 48 11.613 -8.520 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.503 -10.462 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.007 -10.530 -2.493 1.00 0.00 H new ATOM 928 N ALA A 61 15.929 -6.330 14.444 1.00 0.00 N ATOM 929 CA ALA A 61 14.850 -7.285 14.654 1.00 0.00 C ATOM 930 C ALA A 61 14.866 -7.867 16.061 1.00 0.00 C ATOM 931 O ALA A 61 13.952 -8.591 16.453 1.00 0.00 O ATOM 932 CB ALA A 61 14.911 -8.391 13.612 1.00 0.00 C ATOM 0 HA ALA A 61 13.909 -6.746 14.542 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.098 -9.097 13.783 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.813 -7.959 12.616 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.866 -8.912 13.689 1.00 0.00 H new ATOM 938 N VAL A 62 15.888 -7.526 16.827 1.00 0.00 N ATOM 939 CA VAL A 62 15.978 -7.968 18.212 1.00 0.00 C ATOM 940 C VAL A 62 14.904 -7.274 19.043 1.00 0.00 C ATOM 941 O VAL A 62 14.190 -7.901 19.829 1.00 0.00 O ATOM 942 CB VAL A 62 17.373 -7.677 18.807 1.00 0.00 C ATOM 943 CG1 VAL A 62 17.454 -8.142 20.252 1.00 0.00 C ATOM 944 CG2 VAL A 62 18.461 -8.335 17.969 1.00 0.00 C ATOM 0 H VAL A 62 16.667 -6.946 16.516 1.00 0.00 H new ATOM 0 HA VAL A 62 15.822 -9.046 18.235 1.00 0.00 H new ATOM 0 HB VAL A 62 17.531 -6.599 18.790 1.00 0.00 H new ATOM 0 HG11 VAL A 62 18.446 -7.926 20.649 1.00 0.00 H new ATOM 0 HG12 VAL A 62 16.704 -7.619 20.845 1.00 0.00 H new ATOM 0 HG13 VAL A 62 17.270 -9.215 20.300 1.00 0.00 H new ATOM 0 HG21 VAL A 62 19.437 -8.118 18.404 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.303 -9.413 17.950 1.00 0.00 H new ATOM 0 HG23 VAL A 62 18.423 -7.945 16.952 1.00 0.00 H new ATOM 954 N SER A 63 14.782 -5.974 18.834 1.00 0.00 N ATOM 955 CA SER A 63 13.773 -5.178 19.511 1.00 0.00 C ATOM 956 C SER A 63 12.471 -5.191 18.717 1.00 0.00 C ATOM 957 O SER A 63 11.377 -5.181 19.285 1.00 0.00 O ATOM 958 CB SER A 63 14.279 -3.746 19.678 1.00 0.00 C ATOM 959 OG SER A 63 15.556 -3.736 20.299 1.00 0.00 O ATOM 0 H SER A 63 15.375 -5.444 18.195 1.00 0.00 H new ATOM 0 HA SER A 63 13.580 -5.605 20.495 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.338 -3.260 18.704 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.572 -3.173 20.278 1.00 0.00 H new ATOM 0 HG SER A 63 15.865 -2.811 20.396 1.00 0.00 H new ATOM 965 N GLU A 64 12.609 -5.246 17.394 1.00 0.00 N ATOM 966 CA GLU A 64 11.469 -5.217 16.484 1.00 0.00 C ATOM 967 C GLU A 64 10.536 -6.401 16.740 1.00 0.00 C ATOM 968 O GLU A 64 9.321 -6.300 16.582 1.00 0.00 O ATOM 969 CB GLU A 64 11.961 -5.256 15.031 1.00 0.00 C ATOM 970 CG GLU A 64 10.977 -4.676 14.025 1.00 0.00 C ATOM 971 CD GLU A 64 10.971 -3.164 14.030 1.00 0.00 C ATOM 972 OE1 GLU A 64 10.285 -2.568 14.885 1.00 0.00 O ATOM 973 OE2 GLU A 64 11.671 -2.562 13.185 1.00 0.00 O ATOM 0 H GLU A 64 13.512 -5.312 16.925 1.00 0.00 H new ATOM 0 HA GLU A 64 10.915 -4.294 16.659 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.900 -4.707 14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.175 -6.290 14.759 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.230 -5.032 13.026 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.975 -5.041 14.249 1.00 0.00 H new ATOM 980 N ALA A 65 11.121 -7.515 17.163 1.00 0.00 N ATOM 981 CA ALA A 65 10.386 -8.760 17.384 1.00 0.00 C ATOM 982 C ALA A 65 9.231 -8.586 18.366 1.00 0.00 C ATOM 983 O ALA A 65 8.258 -9.339 18.325 1.00 0.00 O ATOM 984 CB ALA A 65 11.335 -9.841 17.874 1.00 0.00 C ATOM 0 H ALA A 65 12.119 -7.583 17.363 1.00 0.00 H new ATOM 0 HA ALA A 65 9.952 -9.057 16.429 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.781 -10.765 18.037 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.111 -10.010 17.127 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.795 -9.524 18.810 1.00 0.00 H new ATOM 990 N GLU A 66 9.335 -7.591 19.241 1.00 0.00 N ATOM 991 CA GLU A 66 8.305 -7.353 20.241 1.00 0.00 C ATOM 992 C GLU A 66 7.041 -6.811 19.570 1.00 0.00 C ATOM 993 O GLU A 66 5.953 -7.376 19.709 1.00 0.00 O ATOM 994 CB GLU A 66 8.818 -6.372 21.303 1.00 0.00 C ATOM 995 CG GLU A 66 8.321 -6.664 22.716 1.00 0.00 C ATOM 996 CD GLU A 66 6.812 -6.610 22.845 1.00 0.00 C ATOM 997 OE1 GLU A 66 6.236 -5.512 22.703 1.00 0.00 O ATOM 998 OE2 GLU A 66 6.190 -7.670 23.085 1.00 0.00 O ATOM 0 H GLU A 66 10.119 -6.940 19.277 1.00 0.00 H new ATOM 0 HA GLU A 66 8.060 -8.294 20.733 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.908 -6.390 21.302 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.516 -5.362 21.025 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.669 -7.651 23.019 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.763 -5.945 23.405 1.00 0.00 H new ATOM 1005 N GLN A 67 7.204 -5.736 18.807 1.00 0.00 N ATOM 1006 CA GLN A 67 6.078 -5.109 18.122 1.00 0.00 C ATOM 1007 C GLN A 67 5.595 -5.971 16.961 1.00 0.00 C ATOM 1008 O GLN A 67 4.406 -5.983 16.644 1.00 0.00 O ATOM 1009 CB GLN A 67 6.433 -3.695 17.633 1.00 0.00 C ATOM 1010 CG GLN A 67 7.815 -3.572 17.013 1.00 0.00 C ATOM 1011 CD GLN A 67 8.875 -3.152 18.016 1.00 0.00 C ATOM 1012 OE1 GLN A 67 8.770 -3.434 19.213 1.00 0.00 O ATOM 1013 NE2 GLN A 67 9.914 -2.501 17.528 1.00 0.00 N ATOM 0 H GLN A 67 8.103 -5.281 18.647 1.00 0.00 H new ATOM 0 HA GLN A 67 5.267 -5.020 18.844 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.690 -3.380 16.900 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.363 -3.005 18.474 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.097 -4.528 16.572 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.781 -2.845 16.202 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.960 -2.288 16.532 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.671 -2.211 18.147 1.00 0.00 H new ATOM 1022 N ILE A 68 6.512 -6.700 16.334 1.00 0.00 N ATOM 1023 CA ILE A 68 6.143 -7.629 15.273 1.00 0.00 C ATOM 1024 C ILE A 68 5.219 -8.719 15.813 1.00 0.00 C ATOM 1025 O ILE A 68 4.220 -9.067 15.185 1.00 0.00 O ATOM 1026 CB ILE A 68 7.387 -8.276 14.624 1.00 0.00 C ATOM 1027 CG1 ILE A 68 8.199 -7.227 13.860 1.00 0.00 C ATOM 1028 CG2 ILE A 68 6.981 -9.412 13.693 1.00 0.00 C ATOM 1029 CD1 ILE A 68 9.439 -7.778 13.185 1.00 0.00 C ATOM 0 H ILE A 68 7.510 -6.666 16.541 1.00 0.00 H new ATOM 0 HA ILE A 68 5.619 -7.056 14.508 1.00 0.00 H new ATOM 0 HB ILE A 68 8.010 -8.688 15.418 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.561 -6.768 13.105 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.495 -6.437 14.551 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.872 -9.853 13.247 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.444 -10.173 14.260 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.335 -9.024 12.905 1.00 0.00 H new ATOM 0 HD11 ILE A 68 9.959 -6.973 12.665 1.00 0.00 H new ATOM 0 HD12 ILE A 68 10.100 -8.211 13.936 1.00 0.00 H new ATOM 0 HD13 ILE A 68 9.152 -8.547 12.468 1.00 0.00 H new ATOM 1041 N ARG A 69 5.545 -9.235 16.992 1.00 0.00 N ATOM 1042 CA ARG A 69 4.740 -10.276 17.624 1.00 0.00 C ATOM 1043 C ARG A 69 3.351 -9.741 17.967 1.00 0.00 C ATOM 1044 O ARG A 69 2.368 -10.486 17.963 1.00 0.00 O ATOM 1045 CB ARG A 69 5.460 -10.793 18.875 1.00 0.00 C ATOM 1046 CG ARG A 69 4.784 -11.972 19.561 1.00 0.00 C ATOM 1047 CD ARG A 69 3.941 -11.530 20.747 1.00 0.00 C ATOM 1048 NE ARG A 69 4.706 -10.705 21.684 1.00 0.00 N ATOM 1049 CZ ARG A 69 5.272 -11.165 22.800 1.00 0.00 C ATOM 1050 NH1 ARG A 69 5.154 -12.445 23.139 1.00 0.00 N ATOM 1051 NH2 ARG A 69 5.962 -10.340 23.578 1.00 0.00 N ATOM 0 H ARG A 69 6.362 -8.950 17.531 1.00 0.00 H new ATOM 0 HA ARG A 69 4.612 -11.106 16.929 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.474 -11.084 18.599 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.547 -9.976 19.591 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.154 -12.497 18.843 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.542 -12.680 19.898 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.078 -10.968 20.390 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.557 -12.408 21.266 1.00 0.00 H new ATOM 0 HE ARG A 69 4.813 -9.714 21.469 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.627 -13.084 22.543 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.590 -12.788 23.995 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.058 -9.357 23.321 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.396 -10.689 24.433 1.00 0.00 H new ATOM 1065 N GLN A 70 3.278 -8.446 18.254 1.00 0.00 N ATOM 1066 CA GLN A 70 2.009 -7.783 18.521 1.00 0.00 C ATOM 1067 C GLN A 70 1.166 -7.760 17.247 1.00 0.00 C ATOM 1068 O GLN A 70 0.001 -8.151 17.259 1.00 0.00 O ATOM 1069 CB GLN A 70 2.283 -6.359 19.017 1.00 0.00 C ATOM 1070 CG GLN A 70 1.183 -5.749 19.875 1.00 0.00 C ATOM 1071 CD GLN A 70 -0.006 -5.227 19.080 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -0.009 -4.081 18.629 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -1.036 -6.046 18.934 1.00 0.00 N ATOM 0 H GLN A 70 4.090 -7.831 18.308 1.00 0.00 H new ATOM 0 HA GLN A 70 1.457 -8.325 19.289 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.209 -6.363 19.591 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.447 -5.715 18.153 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.832 -6.499 20.584 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.604 -4.930 20.459 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.997 -6.989 19.322 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.869 -5.734 18.434 1.00 0.00 H new ATOM 1082 N LEU A 71 1.781 -7.324 16.150 1.00 0.00 N ATOM 1083 CA LEU A 71 1.117 -7.269 14.848 1.00 0.00 C ATOM 1084 C LEU A 71 0.701 -8.677 14.412 1.00 0.00 C ATOM 1085 O LEU A 71 -0.382 -8.874 13.857 1.00 0.00 O ATOM 1086 CB LEU A 71 2.060 -6.620 13.814 1.00 0.00 C ATOM 1087 CG LEU A 71 1.419 -6.157 12.492 1.00 0.00 C ATOM 1088 CD1 LEU A 71 1.168 -7.329 11.554 1.00 0.00 C ATOM 1089 CD2 LEU A 71 0.125 -5.400 12.758 1.00 0.00 C ATOM 0 H LEU A 71 2.748 -7.000 16.137 1.00 0.00 H new ATOM 0 HA LEU A 71 0.216 -6.660 14.922 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.537 -5.759 14.281 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.850 -7.333 13.578 1.00 0.00 H new ATOM 0 HG LEU A 71 2.122 -5.483 12.003 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.715 -6.966 10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.113 -7.821 11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.495 -8.041 12.033 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.312 -5.082 11.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.576 -6.051 13.281 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.335 -4.525 13.373 1.00 0.00 H new ATOM 1101 N LYS A 72 1.564 -9.649 14.682 1.00 0.00 N ATOM 1102 CA LYS A 72 1.270 -11.049 14.394 1.00 0.00 C ATOM 1103 C LYS A 72 0.102 -11.553 15.233 1.00 0.00 C ATOM 1104 O LYS A 72 -0.589 -12.492 14.838 1.00 0.00 O ATOM 1105 CB LYS A 72 2.495 -11.917 14.671 1.00 0.00 C ATOM 1106 CG LYS A 72 3.587 -11.817 13.621 1.00 0.00 C ATOM 1107 CD LYS A 72 3.116 -12.349 12.276 1.00 0.00 C ATOM 1108 CE LYS A 72 4.278 -12.539 11.314 1.00 0.00 C ATOM 1109 NZ LYS A 72 5.267 -13.513 11.842 1.00 0.00 N ATOM 0 H LYS A 72 2.480 -9.492 15.103 1.00 0.00 H new ATOM 0 HA LYS A 72 1.001 -11.117 13.340 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.912 -11.637 15.638 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.178 -12.957 14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.897 -10.777 13.514 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.462 -12.378 13.949 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.602 -13.299 12.419 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.393 -11.658 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.902 -12.886 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.767 -11.581 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.802 -13.927 11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.922 -13.027 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.770 -14.268 12.357 1.00 0.00 H new