USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 581 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 88 HIS :FLIP no HD1:sc= -0.172 F(o=-2.2,f=-0.33) USER MOD Set 1.2: A 89 ASN :FLIP amide:sc= -0.16 F(o=-4.3,f=-0.33) USER MOD Set 2.1: A 69 MET CE :methyl -152:sc= -0.0442 (180deg=-0.0259) USER MOD Set 2.2: A 72 ASN : amide:sc= -1.7 K(o=-1.7,f=-7!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.7) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.797 F(o=-2.7,f=-0.8) USER MOD Single : A 15 MET CE :methyl -132:sc= -9.35! (180deg=-20!) USER MOD Single : A 20 MET CE :methyl -118:sc= -10.1! (180deg=-18!) USER MOD Single : A 22 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.033) USER MOD Single : A 23 HIS : no HD1:sc= -4.92 K(o=-4.9,f=-7.3!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -152:sc= -0.0123 (180deg=-0.64) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0599 X(o=-0.06,f=-0.52) USER MOD Single : A 49 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.6!) USER MOD Single : A 53 MET CE :methyl -118:sc= -1.32 (180deg=-4.81!) USER MOD Single : A 54 GLN : amide:sc=-0.00813 K(o=-0.0081,f=-0.52) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.94) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 162:sc= -1.73 (180deg=-2.59!) USER MOD Single : A 68 MET CE :methyl 178:sc= -0.196 (180deg=-0.199) USER MOD Single : A 70 MET CE :methyl -124:sc= -16.9! (180deg=-23.5!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -149:sc= -4.95! (180deg=-8.72!) USER MOD Single : A 82 GLN : amide:sc= -2.06 K(o=-2.1,f=-7.8!) USER MOD Single : A 84 MET CE :methyl -148:sc= -0.0633 (180deg=-0.744) USER MOD Single : A 85 SER OG : rot -62:sc= 0.153 USER MOD Single : A 86 MET CE :methyl 163:sc= 0 (180deg=-0.137) USER MOD Single : A 95 ASN : amide:sc= 0.908 K(o=0.91,f=-0.34) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 11 6.084 -9.169 -6.365 1.00 0.00 N ATOM 146 CA CYS A 11 4.833 -8.656 -6.895 1.00 0.00 C ATOM 147 C CYS A 11 4.889 -7.150 -6.887 1.00 0.00 C ATOM 148 O CYS A 11 4.158 -6.534 -7.625 1.00 0.00 O ATOM 149 CB CYS A 11 3.650 -9.156 -6.069 1.00 0.00 C ATOM 150 SG CYS A 11 2.807 -10.608 -6.748 1.00 0.00 S ATOM 0 HA CYS A 11 4.694 -9.013 -7.916 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.001 -9.394 -5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.926 -8.347 -5.970 1.00 0.00 H new ATOM 155 N TYR A 12 5.740 -6.553 -6.070 1.00 0.00 N ATOM 156 CA TYR A 12 5.923 -5.122 -5.997 1.00 0.00 C ATOM 157 C TYR A 12 5.912 -4.480 -7.380 1.00 0.00 C ATOM 158 O TYR A 12 5.119 -3.584 -7.639 1.00 0.00 O ATOM 159 CB TYR A 12 7.293 -4.890 -5.376 1.00 0.00 C ATOM 160 CG TYR A 12 7.911 -3.534 -5.717 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.227 -2.360 -5.383 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.135 -3.484 -6.396 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.797 -1.095 -5.689 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.703 -2.224 -6.723 1.00 0.00 C ATOM 165 CZ TYR A 12 9.024 -1.049 -6.370 1.00 0.00 C ATOM 166 OH TYR A 12 9.581 0.157 -6.689 1.00 0.00 O ATOM 0 H TYR A 12 6.337 -7.069 -5.423 1.00 0.00 H new ATOM 0 HA TYR A 12 5.113 -4.681 -5.416 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.208 -4.977 -4.293 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.969 -5.679 -5.707 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.266 -2.415 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.643 -4.397 -6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.294 -0.183 -5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.650 -2.171 -7.239 1.00 0.00 H new ATOM 0 HH TYR A 12 10.430 0.012 -7.157 1.00 0.00 H new ATOM 176 N GLN A 13 6.748 -4.998 -8.269 1.00 0.00 N ATOM 177 CA GLN A 13 6.823 -4.482 -9.615 1.00 0.00 C ATOM 178 C GLN A 13 5.454 -4.546 -10.283 1.00 0.00 C ATOM 179 O GLN A 13 5.053 -3.679 -11.025 1.00 0.00 O ATOM 180 CB GLN A 13 7.854 -5.274 -10.421 1.00 0.00 C ATOM 181 CG GLN A 13 7.823 -4.853 -11.898 1.00 0.00 C ATOM 182 CD GLN A 13 9.208 -4.531 -12.431 1.00 0.00 C ATOM 183 OE1 GLN A 13 10.097 -4.058 -11.740 1.00 0.00 O ATOM 184 NE2 GLN A 13 9.431 -4.888 -13.688 1.00 0.00 N ATOM 0 H GLN A 13 7.381 -5.775 -8.076 1.00 0.00 H new ATOM 0 HA GLN A 13 7.137 -3.439 -9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.850 -5.108 -10.011 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.648 -6.341 -10.337 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.383 -5.653 -12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.180 -3.981 -12.012 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.675 -5.281 -14.248 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.359 -4.770 -14.095 1.00 0.00 H new ATOM 193 N GLN A 14 4.714 -5.613 -10.022 1.00 0.00 N ATOM 194 CA GLN A 14 3.382 -5.802 -10.547 1.00 0.00 C ATOM 195 C GLN A 14 2.396 -4.870 -9.865 1.00 0.00 C ATOM 196 O GLN A 14 1.371 -4.534 -10.431 1.00 0.00 O ATOM 197 CB GLN A 14 2.937 -7.267 -10.402 1.00 0.00 C ATOM 198 CG GLN A 14 3.456 -8.107 -11.577 1.00 0.00 C ATOM 199 CD GLN A 14 4.964 -7.959 -11.731 1.00 0.00 C ATOM 200 OE1 GLN A 14 5.672 -8.124 -10.620 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 5.499 -7.715 -12.795 1.00 0.00 N flip ATOM 0 H GLN A 14 5.032 -6.380 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 14 3.401 -5.558 -11.609 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.311 -7.675 -9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.849 -7.320 -10.362 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.204 -9.156 -11.418 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.961 -7.797 -12.497 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.933 -7.593 -13.634 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.514 -7.633 -12.848 1.00 0.00 H new ATOM 210 N MET A 15 2.682 -4.471 -8.629 1.00 0.00 N ATOM 211 CA MET A 15 1.859 -3.585 -7.860 1.00 0.00 C ATOM 212 C MET A 15 1.779 -2.262 -8.538 1.00 0.00 C ATOM 213 O MET A 15 0.680 -1.849 -8.818 1.00 0.00 O ATOM 214 CB MET A 15 2.449 -3.382 -6.468 1.00 0.00 C ATOM 215 CG MET A 15 1.438 -3.729 -5.394 1.00 0.00 C ATOM 216 SD MET A 15 1.926 -5.217 -4.534 1.00 0.00 S ATOM 217 CE MET A 15 3.015 -4.477 -3.336 1.00 0.00 C ATOM 0 H MET A 15 3.521 -4.773 -8.133 1.00 0.00 H new ATOM 0 HA MET A 15 0.866 -4.026 -7.773 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.337 -4.004 -6.351 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.768 -2.346 -6.352 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.352 -2.904 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.454 -3.867 -5.843 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.953 -5.032 -3.305 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.214 -3.442 -3.616 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.546 -4.503 -2.353 1.00 0.00 H new ATOM 227 N GLU A 16 2.878 -1.580 -8.764 1.00 0.00 N ATOM 228 CA GLU A 16 2.890 -0.275 -9.401 1.00 0.00 C ATOM 229 C GLU A 16 2.070 -0.307 -10.693 1.00 0.00 C ATOM 230 O GLU A 16 1.317 0.622 -10.988 1.00 0.00 O ATOM 231 CB GLU A 16 4.331 0.149 -9.699 1.00 0.00 C ATOM 232 CG GLU A 16 4.817 -0.364 -11.057 1.00 0.00 C ATOM 233 CD GLU A 16 6.303 -0.133 -11.244 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.667 0.981 -11.688 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.080 -1.073 -10.952 1.00 0.00 O ATOM 0 H GLU A 16 3.806 -1.918 -8.508 1.00 0.00 H new ATOM 0 HA GLU A 16 2.441 0.451 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.399 1.237 -9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.988 -0.227 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.601 -1.429 -11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.268 0.138 -11.853 1.00 0.00 H new ATOM 242 N GLU A 17 2.163 -1.427 -11.429 1.00 0.00 N ATOM 243 CA GLU A 17 1.460 -1.585 -12.671 1.00 0.00 C ATOM 244 C GLU A 17 -0.035 -1.689 -12.405 1.00 0.00 C ATOM 245 O GLU A 17 -0.864 -1.356 -13.240 1.00 0.00 O ATOM 246 CB GLU A 17 1.956 -2.824 -13.415 1.00 0.00 C ATOM 247 CG GLU A 17 1.428 -2.826 -14.858 1.00 0.00 C ATOM 248 CD GLU A 17 2.552 -3.127 -15.850 1.00 0.00 C ATOM 249 OE1 GLU A 17 3.402 -3.992 -15.532 1.00 0.00 O ATOM 250 OE2 GLU A 17 2.533 -2.520 -16.946 1.00 0.00 O ATOM 0 H GLU A 17 2.730 -2.233 -11.164 1.00 0.00 H new ATOM 0 HA GLU A 17 1.650 -0.713 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.046 -2.842 -13.419 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.624 -3.724 -12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.639 -3.571 -14.960 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.984 -1.858 -15.088 1.00 0.00 H new ATOM 257 N ALA A 18 -0.402 -2.169 -11.211 1.00 0.00 N ATOM 258 CA ALA A 18 -1.761 -2.290 -10.788 1.00 0.00 C ATOM 259 C ALA A 18 -1.955 -1.627 -9.454 1.00 0.00 C ATOM 260 O ALA A 18 -2.581 -2.279 -8.611 1.00 0.00 O ATOM 261 CB ALA A 18 -2.133 -3.773 -10.780 1.00 0.00 C ATOM 0 H ALA A 18 0.270 -2.486 -10.512 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.430 -1.777 -11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.169 -3.887 -10.459 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.017 -4.183 -11.783 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.479 -4.308 -10.092 1.00 0.00 H new ATOM 267 N GLU A 19 -1.464 -0.392 -9.270 1.00 0.00 N ATOM 268 CA GLU A 19 -1.495 0.314 -8.017 1.00 0.00 C ATOM 269 C GLU A 19 -2.870 0.121 -7.375 1.00 0.00 C ATOM 270 O GLU A 19 -3.833 0.856 -7.622 1.00 0.00 O ATOM 271 CB GLU A 19 -1.203 1.789 -8.250 1.00 0.00 C ATOM 272 CG GLU A 19 -0.311 2.344 -7.132 1.00 0.00 C ATOM 273 CD GLU A 19 0.082 3.794 -7.452 1.00 0.00 C ATOM 274 OE1 GLU A 19 -0.744 4.508 -8.058 1.00 0.00 O ATOM 275 OE2 GLU A 19 1.135 4.233 -6.945 1.00 0.00 O ATOM 0 H GLU A 19 -1.026 0.142 -10.020 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.732 -0.078 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.712 1.921 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.137 2.349 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.838 2.302 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.583 1.729 -7.029 1.00 0.00 H new ATOM 282 N MET A 20 -2.977 -0.887 -6.505 1.00 0.00 N ATOM 283 CA MET A 20 -4.256 -1.277 -5.939 1.00 0.00 C ATOM 284 C MET A 20 -4.381 -0.522 -4.647 1.00 0.00 C ATOM 285 O MET A 20 -5.482 -0.199 -4.200 1.00 0.00 O ATOM 286 CB MET A 20 -4.298 -2.768 -5.660 1.00 0.00 C ATOM 287 CG MET A 20 -3.118 -3.229 -4.817 1.00 0.00 C ATOM 288 SD MET A 20 -2.083 -4.355 -5.700 1.00 0.00 S ATOM 289 CE MET A 20 -3.320 -5.518 -6.290 1.00 0.00 C ATOM 0 H MET A 20 -2.187 -1.445 -6.181 1.00 0.00 H new ATOM 0 HA MET A 20 -5.069 -1.054 -6.630 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.227 -3.014 -5.146 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.302 -3.313 -6.604 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.532 -2.364 -4.507 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.485 -3.708 -3.909 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.120 -6.505 -5.873 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.310 -5.186 -5.977 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.281 -5.569 -7.378 1.00 0.00 H new ATOM 299 N LEU A 21 -3.242 -0.180 -4.024 1.00 0.00 N ATOM 300 CA LEU A 21 -3.223 0.542 -2.776 1.00 0.00 C ATOM 301 C LEU A 21 -3.205 2.023 -3.092 1.00 0.00 C ATOM 302 O LEU A 21 -3.059 2.833 -2.195 1.00 0.00 O ATOM 303 CB LEU A 21 -2.041 0.086 -1.928 1.00 0.00 C ATOM 304 CG LEU A 21 -2.295 -1.180 -1.087 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.201 -0.870 0.113 1.00 0.00 C ATOM 306 CD2 LEU A 21 -2.850 -2.313 -1.908 1.00 0.00 C ATOM 0 H LEU A 21 -2.315 -0.404 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.113 0.337 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.191 -0.097 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.758 0.898 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.327 -1.510 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.365 -1.780 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.724 -0.121 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.158 -0.489 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.011 -3.181 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.798 -2.010 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.144 -2.570 -2.698 1.00 0.00 H new ATOM 318 N ASN A 22 -3.408 2.383 -4.358 1.00 0.00 N ATOM 319 CA ASN A 22 -3.446 3.758 -4.773 1.00 0.00 C ATOM 320 C ASN A 22 -4.814 4.342 -4.457 1.00 0.00 C ATOM 321 O ASN A 22 -4.965 5.536 -4.223 1.00 0.00 O ATOM 322 CB ASN A 22 -3.231 3.870 -6.272 1.00 0.00 C ATOM 323 CG ASN A 22 -3.672 5.214 -6.836 1.00 0.00 C ATOM 324 OD1 ASN A 22 -4.606 5.295 -7.622 1.00 0.00 O ATOM 325 ND2 ASN A 22 -3.126 6.275 -6.263 1.00 0.00 N ATOM 0 H ASN A 22 -3.550 1.717 -5.117 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.658 4.295 -4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.175 3.717 -6.495 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.781 3.073 -6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.483 7.207 -6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.348 6.160 -5.613 1.00 0.00 H new ATOM 332 N HIS A 23 -5.837 3.484 -4.395 1.00 0.00 N ATOM 333 CA HIS A 23 -7.188 3.911 -4.126 1.00 0.00 C ATOM 334 C HIS A 23 -7.373 3.966 -2.624 1.00 0.00 C ATOM 335 O HIS A 23 -7.750 5.004 -2.078 1.00 0.00 O ATOM 336 CB HIS A 23 -8.184 2.978 -4.815 1.00 0.00 C ATOM 337 CG HIS A 23 -7.912 2.763 -6.279 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.798 3.083 -7.291 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.801 2.235 -6.874 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.258 2.732 -8.465 1.00 0.00 C ATOM 341 NE2 HIS A 23 -7.026 2.227 -8.232 1.00 0.00 N ATOM 0 H HIS A 23 -5.738 2.478 -4.532 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.374 4.905 -4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -8.172 2.013 -4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.188 3.386 -4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.910 1.888 -6.371 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.727 2.835 -9.433 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.373 1.896 -8.942 1.00 0.00 H new ATOM 350 N CYS A 24 -7.135 2.832 -1.949 1.00 0.00 N ATOM 351 CA CYS A 24 -7.254 2.769 -0.504 1.00 0.00 C ATOM 352 C CYS A 24 -6.146 3.602 0.121 1.00 0.00 C ATOM 353 O CYS A 24 -6.273 3.987 1.263 1.00 0.00 O ATOM 354 CB CYS A 24 -7.207 1.316 -0.014 1.00 0.00 C ATOM 355 SG CYS A 24 -8.853 0.583 0.195 1.00 0.00 S ATOM 0 H CYS A 24 -6.860 1.954 -2.389 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.218 3.177 -0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.637 0.717 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.675 1.276 0.936 1.00 0.00 H new ATOM 360 N GLY A 25 -5.107 3.926 -0.637 1.00 0.00 N ATOM 361 CA GLY A 25 -3.997 4.717 -0.172 1.00 0.00 C ATOM 362 C GLY A 25 -4.380 6.167 -0.094 1.00 0.00 C ATOM 363 O GLY A 25 -4.176 6.785 0.940 1.00 0.00 O ATOM 0 H GLY A 25 -5.019 3.636 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.678 4.366 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.148 4.595 -0.845 1.00 0.00 H new ATOM 367 N MET A 26 -5.008 6.700 -1.139 1.00 0.00 N ATOM 368 CA MET A 26 -5.422 8.084 -1.183 1.00 0.00 C ATOM 369 C MET A 26 -6.349 8.387 -0.041 1.00 0.00 C ATOM 370 O MET A 26 -6.200 9.403 0.603 1.00 0.00 O ATOM 371 CB MET A 26 -6.163 8.351 -2.489 1.00 0.00 C ATOM 372 CG MET A 26 -5.192 8.773 -3.586 1.00 0.00 C ATOM 373 SD MET A 26 -5.857 8.348 -5.213 1.00 0.00 S ATOM 374 CE MET A 26 -7.060 9.675 -5.393 1.00 0.00 C ATOM 0 H MET A 26 -5.242 6.173 -1.981 1.00 0.00 H new ATOM 0 HA MET A 26 -4.536 8.714 -1.112 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.700 7.454 -2.798 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.908 9.132 -2.337 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.012 9.847 -3.528 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.231 8.281 -3.439 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.573 9.574 -6.349 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.787 9.619 -4.583 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.549 10.637 -5.356 1.00 0.00 H new ATOM 384 N TYR A 27 -7.306 7.516 0.238 1.00 0.00 N ATOM 385 CA TYR A 27 -8.240 7.682 1.330 1.00 0.00 C ATOM 386 C TYR A 27 -7.527 8.001 2.635 1.00 0.00 C ATOM 387 O TYR A 27 -8.012 8.781 3.441 1.00 0.00 O ATOM 388 CB TYR A 27 -8.972 6.355 1.477 1.00 0.00 C ATOM 389 CG TYR A 27 -10.150 6.394 2.441 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.223 7.254 2.179 1.00 0.00 C ATOM 391 CD2 TYR A 27 -10.143 5.571 3.576 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.324 7.299 3.079 1.00 0.00 C ATOM 393 CE2 TYR A 27 -11.242 5.608 4.479 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.313 6.474 4.217 1.00 0.00 C ATOM 395 OH TYR A 27 -13.383 6.494 5.066 1.00 0.00 O ATOM 0 H TYR A 27 -7.454 6.662 -0.299 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.916 8.510 1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.330 6.040 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.264 5.598 1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.215 7.880 1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.308 4.912 3.764 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.158 7.959 2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.251 4.977 5.355 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.226 5.869 5.804 1.00 0.00 H new ATOM 405 N LEU A 28 -6.340 7.429 2.804 1.00 0.00 N ATOM 406 CA LEU A 28 -5.549 7.622 3.994 1.00 0.00 C ATOM 407 C LEU A 28 -4.571 8.758 3.754 1.00 0.00 C ATOM 408 O LEU A 28 -4.211 9.460 4.681 1.00 0.00 O ATOM 409 CB LEU A 28 -4.840 6.326 4.397 1.00 0.00 C ATOM 410 CG LEU A 28 -5.576 5.025 4.043 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.602 3.973 3.519 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.378 4.515 5.216 1.00 0.00 C ATOM 0 H LEU A 28 -5.906 6.818 2.112 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.196 7.891 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.859 6.307 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.672 6.345 5.474 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.283 5.242 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.148 3.061 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.107 4.349 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.855 3.756 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.888 3.593 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.711 4.319 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.115 5.264 5.506 1.00 0.00 H new ATOM 424 N MET A 29 -4.213 9.004 2.493 1.00 0.00 N ATOM 425 CA MET A 29 -3.335 10.065 2.084 1.00 0.00 C ATOM 426 C MET A 29 -4.103 11.343 1.800 1.00 0.00 C ATOM 427 O MET A 29 -3.553 12.322 1.317 1.00 0.00 O ATOM 428 CB MET A 29 -2.537 9.637 0.864 1.00 0.00 C ATOM 429 CG MET A 29 -1.052 9.900 1.061 1.00 0.00 C ATOM 430 SD MET A 29 -0.493 11.257 0.018 1.00 0.00 S ATOM 431 CE MET A 29 -0.348 12.547 1.259 1.00 0.00 C ATOM 0 H MET A 29 -4.547 8.441 1.711 1.00 0.00 H new ATOM 0 HA MET A 29 -2.647 10.272 2.904 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.699 8.576 0.673 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.892 10.177 -0.014 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.857 10.136 2.107 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.485 8.999 0.826 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.504 13.520 0.793 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.098 12.392 2.034 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.646 12.513 1.704 1.00 0.00 H new ATOM 441 N LYS A 30 -5.402 11.361 2.102 1.00 0.00 N ATOM 442 CA LYS A 30 -6.258 12.489 1.839 1.00 0.00 C ATOM 443 C LYS A 30 -6.020 13.506 2.939 1.00 0.00 C ATOM 444 O LYS A 30 -6.263 14.689 2.738 1.00 0.00 O ATOM 445 CB LYS A 30 -7.716 12.031 1.726 1.00 0.00 C ATOM 446 CG LYS A 30 -8.609 13.223 1.343 1.00 0.00 C ATOM 447 CD LYS A 30 -9.468 13.654 2.540 1.00 0.00 C ATOM 448 CE LYS A 30 -10.182 14.974 2.240 1.00 0.00 C ATOM 449 NZ LYS A 30 -11.196 15.250 3.275 1.00 0.00 N ATOM 0 H LYS A 30 -5.883 10.576 2.541 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.029 12.961 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.803 11.245 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.048 11.606 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.991 14.057 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.251 12.950 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.202 12.880 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.840 13.766 3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.458 15.788 2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.656 14.925 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.674 16.148 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.895 14.480 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.734 15.316 4.204 1.00 0.00 H new ATOM 463 N ASN A 31 -5.578 13.028 4.109 1.00 0.00 N ATOM 464 CA ASN A 31 -5.270 13.895 5.221 1.00 0.00 C ATOM 465 C ASN A 31 -3.763 14.034 5.387 1.00 0.00 C ATOM 466 O ASN A 31 -3.306 14.776 6.246 1.00 0.00 O ATOM 467 CB ASN A 31 -5.866 13.316 6.503 1.00 0.00 C ATOM 468 CG ASN A 31 -6.547 14.391 7.331 1.00 0.00 C ATOM 469 OD1 ASN A 31 -6.252 15.571 7.267 1.00 0.00 O ATOM 470 ND2 ASN A 31 -7.537 13.962 8.095 1.00 0.00 N ATOM 0 H ASN A 31 -5.429 12.037 4.297 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.698 14.878 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.586 12.537 6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.079 12.845 7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.077 14.626 8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.761 12.968 8.128 1.00 0.00 H new ATOM 758 N GLN A 49 -13.209 -0.660 -2.223 1.00 0.00 N ATOM 759 CA GLN A 49 -13.427 -1.822 -3.065 1.00 0.00 C ATOM 760 C GLN A 49 -12.493 -1.776 -4.253 1.00 0.00 C ATOM 761 O GLN A 49 -12.242 -2.799 -4.866 1.00 0.00 O ATOM 762 CB GLN A 49 -14.880 -1.874 -3.538 1.00 0.00 C ATOM 763 CG GLN A 49 -15.518 -3.214 -3.152 1.00 0.00 C ATOM 764 CD GLN A 49 -17.029 -3.100 -3.021 1.00 0.00 C ATOM 765 OE1 GLN A 49 -17.581 -2.059 -2.713 1.00 0.00 O ATOM 766 NE2 GLN A 49 -17.706 -4.211 -3.255 1.00 0.00 N ATOM 0 HA GLN A 49 -13.221 -2.721 -2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.444 -1.054 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.923 -1.741 -4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.273 -3.964 -3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.096 -3.560 -2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.211 -5.065 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.723 -4.214 -3.180 1.00 0.00 H new ATOM 775 N LEU A 50 -11.932 -0.605 -4.552 1.00 0.00 N ATOM 776 CA LEU A 50 -11.006 -0.445 -5.651 1.00 0.00 C ATOM 777 C LEU A 50 -9.653 -1.028 -5.250 1.00 0.00 C ATOM 778 O LEU A 50 -8.873 -1.422 -6.109 1.00 0.00 O ATOM 779 CB LEU A 50 -10.922 1.036 -6.033 1.00 0.00 C ATOM 780 CG LEU A 50 -11.926 1.461 -7.125 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.179 2.968 -7.037 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.418 1.071 -8.513 1.00 0.00 C ATOM 0 H LEU A 50 -12.113 0.255 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.349 -0.986 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.092 1.641 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.911 1.255 -6.378 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.868 0.938 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.888 3.264 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.588 3.212 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.241 3.504 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.143 1.381 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.464 1.563 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.284 -0.010 -8.561 1.00 0.00 H new ATOM 794 N CYS A 51 -9.375 -1.076 -3.943 1.00 0.00 N ATOM 795 CA CYS A 51 -8.150 -1.644 -3.441 1.00 0.00 C ATOM 796 C CYS A 51 -8.344 -3.122 -3.238 1.00 0.00 C ATOM 797 O CYS A 51 -7.497 -3.879 -3.671 1.00 0.00 O ATOM 798 CB CYS A 51 -7.742 -0.964 -2.144 1.00 0.00 C ATOM 799 SG CYS A 51 -8.825 -1.227 -0.725 1.00 0.00 S ATOM 0 H CYS A 51 -9.999 -0.720 -3.218 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.348 -1.485 -4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.742 -1.307 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.673 0.108 -2.327 1.00 0.00 H new ATOM 804 N CYS A 52 -9.491 -3.533 -2.703 1.00 0.00 N ATOM 805 CA CYS A 52 -9.803 -4.932 -2.492 1.00 0.00 C ATOM 806 C CYS A 52 -10.055 -5.594 -3.851 1.00 0.00 C ATOM 807 O CYS A 52 -10.198 -6.807 -3.938 1.00 0.00 O ATOM 808 CB CYS A 52 -10.989 -5.088 -1.542 1.00 0.00 C ATOM 809 SG CYS A 52 -10.930 -6.596 -0.522 1.00 0.00 S ATOM 0 H CYS A 52 -10.230 -2.896 -2.404 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.961 -5.433 -2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.032 -4.219 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.910 -5.092 -2.125 1.00 0.00 H new ATOM 814 N MET A 53 -10.110 -4.784 -4.912 1.00 0.00 N ATOM 815 CA MET A 53 -10.342 -5.254 -6.243 1.00 0.00 C ATOM 816 C MET A 53 -9.068 -5.828 -6.820 1.00 0.00 C ATOM 817 O MET A 53 -8.894 -7.042 -6.865 1.00 0.00 O ATOM 818 CB MET A 53 -10.838 -4.101 -7.122 1.00 0.00 C ATOM 819 CG MET A 53 -10.812 -4.488 -8.599 1.00 0.00 C ATOM 820 SD MET A 53 -11.637 -6.081 -8.848 1.00 0.00 S ATOM 821 CE MET A 53 -10.246 -7.039 -9.491 1.00 0.00 C ATOM 0 H MET A 53 -9.991 -3.773 -4.849 1.00 0.00 H new ATOM 0 HA MET A 53 -11.101 -6.036 -6.215 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.853 -3.828 -6.832 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.213 -3.222 -6.962 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.306 -3.719 -9.192 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.781 -4.546 -8.948 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.471 -7.373 -10.504 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.351 -6.417 -9.505 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.075 -7.906 -8.853 1.00 0.00 H new ATOM 831 N GLN A 54 -8.172 -4.952 -7.293 1.00 0.00 N ATOM 832 CA GLN A 54 -6.937 -5.369 -7.912 1.00 0.00 C ATOM 833 C GLN A 54 -6.188 -6.262 -6.946 1.00 0.00 C ATOM 834 O GLN A 54 -5.366 -7.067 -7.358 1.00 0.00 O ATOM 835 CB GLN A 54 -6.093 -4.153 -8.284 1.00 0.00 C ATOM 836 CG GLN A 54 -6.456 -3.636 -9.677 1.00 0.00 C ATOM 837 CD GLN A 54 -6.968 -2.207 -9.629 1.00 0.00 C ATOM 838 OE1 GLN A 54 -6.436 -1.327 -8.971 1.00 0.00 O ATOM 839 NE2 GLN A 54 -8.081 -1.980 -10.311 1.00 0.00 N ATOM 0 H GLN A 54 -8.295 -3.940 -7.251 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.150 -5.920 -8.828 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.244 -3.363 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.036 -4.417 -8.255 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.580 -3.687 -10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.216 -4.281 -10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.508 -2.730 -10.854 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.511 -1.055 -10.293 1.00 0.00 H new ATOM 848 N LEU A 55 -6.413 -6.098 -5.642 1.00 0.00 N ATOM 849 CA LEU A 55 -5.769 -6.906 -4.633 1.00 0.00 C ATOM 850 C LEU A 55 -6.059 -8.377 -4.881 1.00 0.00 C ATOM 851 O LEU A 55 -5.193 -9.217 -4.676 1.00 0.00 O ATOM 852 CB LEU A 55 -6.217 -6.462 -3.250 1.00 0.00 C ATOM 853 CG LEU A 55 -5.342 -5.356 -2.616 1.00 0.00 C ATOM 854 CD1 LEU A 55 -6.088 -4.646 -1.469 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.000 -5.911 -2.143 1.00 0.00 C ATOM 0 H LEU A 55 -7.051 -5.396 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.689 -6.771 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.244 -6.103 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.221 -7.328 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.137 -4.615 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.448 -3.873 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.000 -4.190 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.344 -5.372 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.409 -5.108 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.170 -6.688 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.462 -6.334 -2.991 1.00 0.00 H new ATOM 867 N LYS A 56 -7.263 -8.678 -5.378 1.00 0.00 N ATOM 868 CA LYS A 56 -7.648 -10.025 -5.739 1.00 0.00 C ATOM 869 C LYS A 56 -7.080 -10.405 -7.108 1.00 0.00 C ATOM 870 O LYS A 56 -7.363 -11.458 -7.653 1.00 0.00 O ATOM 871 CB LYS A 56 -9.167 -10.164 -5.626 1.00 0.00 C ATOM 872 CG LYS A 56 -9.625 -11.559 -6.079 1.00 0.00 C ATOM 873 CD LYS A 56 -10.718 -12.112 -5.173 1.00 0.00 C ATOM 874 CE LYS A 56 -11.602 -13.097 -5.938 1.00 0.00 C ATOM 875 NZ LYS A 56 -12.776 -12.400 -6.502 1.00 0.00 N ATOM 0 H LYS A 56 -7.993 -7.984 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.215 -10.745 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.476 -9.992 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.652 -9.402 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.993 -11.507 -7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.774 -12.240 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.269 -12.610 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.326 -11.294 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.029 -13.565 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.930 -13.895 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.368 -13.081 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.330 -11.974 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.457 -11.654 -7.153 1.00 0.00 H new ATOM 889 N ASN A 57 -6.334 -9.504 -7.722 1.00 0.00 N ATOM 890 CA ASN A 57 -5.710 -9.730 -8.996 1.00 0.00 C ATOM 891 C ASN A 57 -4.266 -10.173 -8.800 1.00 0.00 C ATOM 892 O ASN A 57 -3.699 -10.825 -9.674 1.00 0.00 O ATOM 893 CB ASN A 57 -5.729 -8.448 -9.837 1.00 0.00 C ATOM 894 CG ASN A 57 -6.307 -8.687 -11.209 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.294 -9.775 -11.753 1.00 0.00 O ATOM 896 ND2 ASN A 57 -6.878 -7.634 -11.770 1.00 0.00 N ATOM 0 H ASN A 57 -6.147 -8.579 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.267 -10.510 -9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.315 -7.685 -9.324 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.715 -8.061 -9.932 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.324 -7.722 -12.683 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.873 -6.734 -11.289 1.00 0.00 H new ATOM 903 N LEU A 58 -3.651 -9.730 -7.699 1.00 0.00 N ATOM 904 CA LEU A 58 -2.291 -10.088 -7.388 1.00 0.00 C ATOM 905 C LEU A 58 -2.232 -11.539 -6.904 1.00 0.00 C ATOM 906 O LEU A 58 -3.204 -12.290 -6.983 1.00 0.00 O ATOM 907 CB LEU A 58 -1.712 -9.091 -6.375 1.00 0.00 C ATOM 908 CG LEU A 58 -0.923 -7.939 -7.017 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.443 -6.979 -5.929 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.262 -8.453 -7.832 1.00 0.00 C ATOM 0 H LEU A 58 -4.091 -9.118 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.670 -10.030 -8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.527 -8.675 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.059 -9.626 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.586 -7.412 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.116 -6.162 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.303 -6.576 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.200 -7.514 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.795 -7.609 -8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.936 -9.010 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.099 -9.106 -8.626 1.00 0.00 H new ATOM 922 N ASP A 59 -1.057 -11.937 -6.413 1.00 0.00 N ATOM 923 CA ASP A 59 -0.860 -13.276 -5.911 1.00 0.00 C ATOM 924 C ASP A 59 -1.257 -13.325 -4.445 1.00 0.00 C ATOM 925 O ASP A 59 -0.976 -12.402 -3.679 1.00 0.00 O ATOM 926 CB ASP A 59 0.603 -13.685 -6.057 1.00 0.00 C ATOM 927 CG ASP A 59 0.793 -15.060 -6.679 1.00 0.00 C ATOM 928 OD1 ASP A 59 0.836 -15.135 -7.922 1.00 0.00 O ATOM 929 OD2 ASP A 59 0.983 -16.022 -5.911 1.00 0.00 O ATOM 0 H ASP A 59 -0.232 -11.340 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.478 -13.967 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.119 -12.945 -6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.075 -13.672 -5.074 1.00 0.00 H new ATOM 934 N GLU A 60 -1.816 -14.452 -4.019 1.00 0.00 N ATOM 935 CA GLU A 60 -2.230 -14.629 -2.642 1.00 0.00 C ATOM 936 C GLU A 60 -1.026 -14.557 -1.716 1.00 0.00 C ATOM 937 O GLU A 60 -1.077 -13.969 -0.636 1.00 0.00 O ATOM 938 CB GLU A 60 -2.937 -15.976 -2.466 1.00 0.00 C ATOM 939 CG GLU A 60 -3.809 -15.964 -1.205 1.00 0.00 C ATOM 940 CD GLU A 60 -5.008 -16.898 -1.361 1.00 0.00 C ATOM 941 OE1 GLU A 60 -4.831 -18.102 -1.076 1.00 0.00 O ATOM 942 OE2 GLU A 60 -6.081 -16.397 -1.770 1.00 0.00 O ATOM 0 H GLU A 60 -1.992 -15.260 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.924 -13.829 -2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.554 -16.187 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.199 -16.775 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.214 -16.270 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.156 -14.950 -1.008 1.00 0.00 H new ATOM 949 N LYS A 61 0.107 -15.115 -2.168 1.00 0.00 N ATOM 950 CA LYS A 61 1.344 -15.069 -1.411 1.00 0.00 C ATOM 951 C LYS A 61 1.975 -13.692 -1.531 1.00 0.00 C ATOM 952 O LYS A 61 2.956 -13.405 -0.866 1.00 0.00 O ATOM 953 CB LYS A 61 2.268 -16.198 -1.865 1.00 0.00 C ATOM 954 CG LYS A 61 2.576 -16.112 -3.363 1.00 0.00 C ATOM 955 CD LYS A 61 3.953 -16.702 -3.674 1.00 0.00 C ATOM 956 CE LYS A 61 4.109 -16.946 -5.176 1.00 0.00 C ATOM 957 NZ LYS A 61 4.483 -18.352 -5.432 1.00 0.00 N ATOM 0 H LYS A 61 0.181 -15.603 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 61 1.146 -15.229 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.199 -16.156 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.804 -17.159 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.811 -16.647 -3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.541 -15.072 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.732 -16.023 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.084 -17.639 -3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.176 -16.712 -5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.871 -16.280 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.585 -18.503 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.385 -18.563 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.742 -18.981 -5.062 1.00 0.00 H new ATOM 971 N CYS A 62 1.444 -12.845 -2.413 1.00 0.00 N ATOM 972 CA CYS A 62 1.902 -11.496 -2.591 1.00 0.00 C ATOM 973 C CYS A 62 1.084 -10.565 -1.699 1.00 0.00 C ATOM 974 O CYS A 62 1.428 -9.403 -1.505 1.00 0.00 O ATOM 975 CB CYS A 62 1.806 -11.090 -4.054 1.00 0.00 C ATOM 976 SG CYS A 62 2.994 -11.863 -5.178 1.00 0.00 S ATOM 0 H CYS A 62 0.670 -13.097 -3.028 1.00 0.00 H new ATOM 0 HA CYS A 62 2.950 -11.424 -2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.801 -11.319 -4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.928 -10.009 -4.118 1.00 0.00 H new ATOM 981 N MET A 63 0.045 -11.080 -1.054 1.00 0.00 N ATOM 982 CA MET A 63 -0.797 -10.316 -0.180 1.00 0.00 C ATOM 983 C MET A 63 -0.222 -10.301 1.212 1.00 0.00 C ATOM 984 O MET A 63 -0.766 -10.816 2.162 1.00 0.00 O ATOM 985 CB MET A 63 -2.184 -10.911 -0.191 1.00 0.00 C ATOM 986 CG MET A 63 -2.784 -10.960 -1.574 1.00 0.00 C ATOM 987 SD MET A 63 -4.555 -10.814 -1.538 1.00 0.00 S ATOM 988 CE MET A 63 -5.025 -12.532 -1.317 1.00 0.00 C ATOM 0 H MET A 63 -0.230 -12.059 -1.134 1.00 0.00 H new ATOM 0 HA MET A 63 -0.853 -9.284 -0.526 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.146 -11.920 0.220 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.832 -10.325 0.461 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.366 -10.155 -2.179 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.507 -11.898 -2.056 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.053 -12.585 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.944 -13.057 -2.269 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.363 -12.999 -0.588 1.00 0.00 H new ATOM 998 N CYS A 64 0.934 -9.700 1.396 1.00 0.00 N ATOM 999 CA CYS A 64 1.618 -9.626 2.677 1.00 0.00 C ATOM 1000 C CYS A 64 3.014 -9.055 2.452 1.00 0.00 C ATOM 1001 O CYS A 64 3.359 -8.031 3.025 1.00 0.00 O ATOM 1002 CB CYS A 64 1.685 -11.003 3.377 1.00 0.00 C ATOM 1003 SG CYS A 64 3.297 -11.387 4.143 1.00 0.00 S ATOM 0 H CYS A 64 1.440 -9.236 0.642 1.00 0.00 H new ATOM 0 HA CYS A 64 1.054 -8.971 3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.913 -11.043 4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.450 -11.779 2.648 1.00 0.00 H new ATOM 1008 N PRO A 65 3.796 -9.726 1.577 1.00 0.00 N ATOM 1009 CA PRO A 65 5.139 -9.298 1.259 1.00 0.00 C ATOM 1010 C PRO A 65 5.142 -8.093 0.346 1.00 0.00 C ATOM 1011 O PRO A 65 5.930 -7.165 0.515 1.00 0.00 O ATOM 1012 CB PRO A 65 5.847 -10.507 0.645 1.00 0.00 C ATOM 1013 CG PRO A 65 4.725 -11.436 0.193 1.00 0.00 C ATOM 1014 CD PRO A 65 3.449 -10.943 0.857 1.00 0.00 C ATOM 0 HA PRO A 65 5.668 -8.968 2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.476 -10.211 -0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.495 -10.996 1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.626 -11.422 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.937 -12.466 0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.677 -10.746 0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.051 -11.696 1.538 1.00 0.00 H new ATOM 1022 N ALA A 66 4.242 -8.103 -0.625 1.00 0.00 N ATOM 1023 CA ALA A 66 4.117 -7.024 -1.558 1.00 0.00 C ATOM 1024 C ALA A 66 3.664 -5.796 -0.809 1.00 0.00 C ATOM 1025 O ALA A 66 4.253 -4.753 -1.010 1.00 0.00 O ATOM 1026 CB ALA A 66 3.143 -7.425 -2.657 1.00 0.00 C ATOM 0 H ALA A 66 3.583 -8.866 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 66 5.071 -6.797 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.043 -6.607 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.518 -8.311 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.170 -7.644 -2.218 1.00 0.00 H new ATOM 1032 N ILE A 67 2.651 -5.906 0.040 1.00 0.00 N ATOM 1033 CA ILE A 67 2.121 -4.791 0.797 1.00 0.00 C ATOM 1034 C ILE A 67 3.260 -3.882 1.249 1.00 0.00 C ATOM 1035 O ILE A 67 3.282 -2.692 0.980 1.00 0.00 O ATOM 1036 CB ILE A 67 1.317 -5.313 1.990 1.00 0.00 C ATOM 1037 CG1 ILE A 67 0.070 -6.079 1.502 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.967 -4.157 2.937 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.225 -5.371 1.894 1.00 0.00 C ATOM 0 H ILE A 67 2.171 -6.787 0.221 1.00 0.00 H new ATOM 0 HA ILE A 67 1.452 -4.204 0.167 1.00 0.00 H new ATOM 0 HB ILE A 67 1.922 -6.021 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.111 -6.186 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.075 -7.085 1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.395 -4.540 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.884 -3.693 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.373 -3.416 2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.078 -5.945 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.280 -5.288 2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.243 -4.375 1.452 1.00 0.00 H new ATOM 1051 N MET A 68 4.283 -4.462 1.867 1.00 0.00 N ATOM 1052 CA MET A 68 5.445 -3.718 2.295 1.00 0.00 C ATOM 1053 C MET A 68 5.985 -2.846 1.180 1.00 0.00 C ATOM 1054 O MET A 68 6.091 -1.643 1.379 1.00 0.00 O ATOM 1055 CB MET A 68 6.536 -4.683 2.754 1.00 0.00 C ATOM 1056 CG MET A 68 6.488 -4.877 4.260 1.00 0.00 C ATOM 1057 SD MET A 68 5.173 -6.018 4.730 1.00 0.00 S ATOM 1058 CE MET A 68 3.945 -4.823 5.301 1.00 0.00 C ATOM 0 H MET A 68 4.323 -5.458 2.081 1.00 0.00 H new ATOM 0 HA MET A 68 5.144 -3.073 3.121 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.411 -5.644 2.255 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.514 -4.298 2.464 1.00 0.00 H new ATOM 0 HG2 MET A 68 7.447 -5.259 4.611 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.330 -3.915 4.748 1.00 0.00 H new ATOM 0 HE1 MET A 68 3.038 -5.348 5.602 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.343 -4.270 6.152 1.00 0.00 H new ATOM 0 HE3 MET A 68 3.711 -4.128 4.495 1.00 0.00 H new ATOM 1068 N MET A 69 6.271 -3.452 0.029 1.00 0.00 N ATOM 1069 CA MET A 69 6.731 -2.748 -1.133 1.00 0.00 C ATOM 1070 C MET A 69 5.710 -1.768 -1.666 1.00 0.00 C ATOM 1071 O MET A 69 6.061 -0.719 -2.178 1.00 0.00 O ATOM 1072 CB MET A 69 7.068 -3.753 -2.217 1.00 0.00 C ATOM 1073 CG MET A 69 8.463 -4.337 -2.028 1.00 0.00 C ATOM 1074 SD MET A 69 9.721 -3.078 -2.340 1.00 0.00 S ATOM 1075 CE MET A 69 10.428 -2.965 -0.684 1.00 0.00 C ATOM 0 H MET A 69 6.184 -4.459 -0.109 1.00 0.00 H new ATOM 0 HA MET A 69 7.610 -2.173 -0.841 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.332 -4.557 -2.209 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.004 -3.272 -3.193 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.569 -4.722 -1.014 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.606 -5.179 -2.705 1.00 0.00 H new ATOM 0 HE1 MET A 69 10.836 -1.966 -0.530 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.652 -3.159 0.057 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.224 -3.702 -0.577 1.00 0.00 H new ATOM 1085 N MET A 70 4.429 -2.102 -1.577 1.00 0.00 N ATOM 1086 CA MET A 70 3.367 -1.253 -2.029 1.00 0.00 C ATOM 1087 C MET A 70 3.623 0.162 -1.514 1.00 0.00 C ATOM 1088 O MET A 70 3.151 1.120 -2.110 1.00 0.00 O ATOM 1089 CB MET A 70 2.014 -1.835 -1.580 1.00 0.00 C ATOM 1090 CG MET A 70 1.165 -0.850 -0.790 1.00 0.00 C ATOM 1091 SD MET A 70 0.724 -1.472 0.823 1.00 0.00 S ATOM 1092 CE MET A 70 -0.542 -0.321 1.273 1.00 0.00 C ATOM 0 H MET A 70 4.108 -2.986 -1.181 1.00 0.00 H new ATOM 0 HA MET A 70 3.332 -1.202 -3.117 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.457 -2.160 -2.459 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.192 -2.721 -0.970 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.710 0.087 -0.678 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.257 -0.626 -1.350 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.285 0.150 2.222 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.630 0.443 0.501 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.492 -0.846 1.373 1.00 0.00 H new ATOM 1102 N LEU A 71 4.053 0.251 -0.242 1.00 0.00 N ATOM 1103 CA LEU A 71 4.256 1.520 0.410 1.00 0.00 C ATOM 1104 C LEU A 71 5.729 1.900 0.312 1.00 0.00 C ATOM 1105 O LEU A 71 6.296 2.513 1.202 1.00 0.00 O ATOM 1106 CB LEU A 71 3.744 1.452 1.847 1.00 0.00 C ATOM 1107 CG LEU A 71 2.224 1.424 1.977 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.817 0.699 3.268 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.639 2.823 1.930 1.00 0.00 C ATOM 0 H LEU A 71 4.263 -0.558 0.343 1.00 0.00 H new ATOM 0 HA LEU A 71 3.686 2.307 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.153 0.561 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.127 2.312 2.397 1.00 0.00 H new ATOM 0 HG LEU A 71 1.819 0.875 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.730 0.685 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.192 -0.324 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.239 1.221 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.555 2.767 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.045 3.415 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.896 3.293 0.981 1.00 0.00 H new ATOM 1121 N ASN A 72 6.381 1.505 -0.777 1.00 0.00 N ATOM 1122 CA ASN A 72 7.769 1.784 -1.039 1.00 0.00 C ATOM 1123 C ASN A 72 7.933 2.346 -2.446 1.00 0.00 C ATOM 1124 O ASN A 72 9.053 2.403 -2.955 1.00 0.00 O ATOM 1125 CB ASN A 72 8.615 0.522 -0.887 1.00 0.00 C ATOM 1126 CG ASN A 72 8.709 0.108 0.550 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.540 -1.030 0.923 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.126 1.016 1.405 1.00 0.00 N ATOM 0 H ASN A 72 5.934 0.965 -1.518 1.00 0.00 H new ATOM 0 HA ASN A 72 8.111 2.521 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.178 -0.286 -1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.614 0.700 -1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.305 0.759 2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.271 1.978 1.097 1.00 0.00 H new ATOM 1135 N GLU A 73 6.816 2.717 -3.063 1.00 0.00 N ATOM 1136 CA GLU A 73 6.834 3.252 -4.397 1.00 0.00 C ATOM 1137 C GLU A 73 7.249 4.720 -4.374 1.00 0.00 C ATOM 1138 O GLU A 73 7.437 5.317 -3.307 1.00 0.00 O ATOM 1139 CB GLU A 73 5.464 3.064 -5.060 1.00 0.00 C ATOM 1140 CG GLU A 73 5.579 2.114 -6.269 1.00 0.00 C ATOM 1141 CD GLU A 73 4.645 2.536 -7.399 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.426 2.478 -7.151 1.00 0.00 O ATOM 1143 OE2 GLU A 73 5.182 2.934 -8.451 1.00 0.00 O ATOM 0 H GLU A 73 5.887 2.652 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 73 7.570 2.709 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.755 2.659 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.074 4.029 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.608 2.104 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.340 1.097 -5.958 1.00 0.00 H new ATOM 1150 N PRO A 74 7.364 5.319 -5.582 1.00 0.00 N ATOM 1151 CA PRO A 74 7.703 6.708 -5.742 1.00 0.00 C ATOM 1152 C PRO A 74 6.567 7.633 -5.364 1.00 0.00 C ATOM 1153 O PRO A 74 6.238 8.554 -6.100 1.00 0.00 O ATOM 1154 CB PRO A 74 8.177 6.883 -7.182 1.00 0.00 C ATOM 1155 CG PRO A 74 7.598 5.686 -7.933 1.00 0.00 C ATOM 1156 CD PRO A 74 7.151 4.693 -6.874 1.00 0.00 C ATOM 0 HA PRO A 74 8.500 6.990 -5.055 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.822 7.823 -7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.265 6.898 -7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.760 5.989 -8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.345 5.242 -8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.101 4.435 -7.008 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.720 3.766 -6.951 1.00 0.00 H new ATOM 1164 N MET A 75 5.987 7.416 -4.179 1.00 0.00 N ATOM 1165 CA MET A 75 4.862 8.182 -3.706 1.00 0.00 C ATOM 1166 C MET A 75 4.281 7.555 -2.452 1.00 0.00 C ATOM 1167 O MET A 75 3.072 7.542 -2.248 1.00 0.00 O ATOM 1168 CB MET A 75 3.794 8.255 -4.801 1.00 0.00 C ATOM 1169 CG MET A 75 3.510 9.706 -5.162 1.00 0.00 C ATOM 1170 SD MET A 75 2.301 10.427 -4.026 1.00 0.00 S ATOM 1171 CE MET A 75 0.800 10.122 -4.986 1.00 0.00 C ATOM 0 H MET A 75 6.298 6.696 -3.527 1.00 0.00 H new ATOM 0 HA MET A 75 5.198 9.190 -3.462 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.131 7.712 -5.684 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.879 7.772 -4.459 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.435 10.281 -5.128 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.135 9.764 -6.184 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.064 10.502 -4.441 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.874 10.629 -5.948 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.684 9.051 -5.149 1.00 0.00 H new ATOM 1181 N TRP A 76 5.141 7.044 -1.574 1.00 0.00 N ATOM 1182 CA TRP A 76 4.708 6.430 -0.343 1.00 0.00 C ATOM 1183 C TRP A 76 5.845 6.498 0.640 1.00 0.00 C ATOM 1184 O TRP A 76 6.505 5.508 0.938 1.00 0.00 O ATOM 1185 CB TRP A 76 4.211 5.009 -0.599 1.00 0.00 C ATOM 1186 CG TRP A 76 2.823 4.922 -1.146 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.390 4.325 -2.283 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.634 5.520 -0.578 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.021 4.479 -2.468 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.519 5.222 -1.431 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.425 6.282 0.599 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.781 5.658 -1.133 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 0.119 6.703 0.873 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -0.955 6.406 0.038 1.00 0.00 C ATOM 0 H TRP A 76 6.153 7.049 -1.705 1.00 0.00 H new ATOM 0 HA TRP A 76 3.859 6.964 0.084 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.893 4.520 -1.295 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.254 4.450 0.335 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.034 3.791 -2.966 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.480 4.102 -3.246 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.243 6.528 1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.614 5.426 -1.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.063 7.281 1.767 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.942 6.759 0.299 1.00 0.00 H new ATOM 1205 N ILE A 77 6.137 7.698 1.147 1.00 0.00 N ATOM 1206 CA ILE A 77 7.256 7.926 2.053 1.00 0.00 C ATOM 1207 C ILE A 77 6.707 8.179 3.423 1.00 0.00 C ATOM 1208 O ILE A 77 5.784 7.533 3.868 1.00 0.00 O ATOM 1209 CB ILE A 77 8.171 9.061 1.555 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.160 9.175 0.025 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.594 8.867 2.102 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.445 7.826 -0.643 1.00 0.00 C ATOM 0 H ILE A 77 5.600 8.539 0.938 1.00 0.00 H new ATOM 0 HA ILE A 77 7.893 7.042 2.088 1.00 0.00 H new ATOM 0 HB ILE A 77 7.782 10.005 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.191 9.548 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.907 9.903 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.234 9.674 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.570 8.878 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.989 7.911 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.429 7.946 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.426 7.466 -0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.683 7.105 -0.347 1.00 0.00 H new ATOM 1224 N ARG A 78 7.235 9.141 4.142 1.00 0.00 N ATOM 1225 CA ARG A 78 6.775 9.482 5.465 1.00 0.00 C ATOM 1226 C ARG A 78 5.304 9.679 5.488 1.00 0.00 C ATOM 1227 O ARG A 78 4.718 9.301 6.478 1.00 0.00 O ATOM 1228 CB ARG A 78 7.427 10.778 5.946 1.00 0.00 C ATOM 1229 CG ARG A 78 8.957 10.675 5.947 1.00 0.00 C ATOM 1230 CD ARG A 78 9.418 9.303 6.470 1.00 0.00 C ATOM 1231 NE ARG A 78 8.765 8.973 7.759 1.00 0.00 N ATOM 1232 CZ ARG A 78 9.205 8.091 8.630 1.00 0.00 C ATOM 1233 NH1 ARG A 78 10.277 7.391 8.367 1.00 0.00 N ATOM 1234 NH2 ARG A 78 8.540 7.872 9.736 1.00 0.00 N ATOM 0 H ARG A 78 8.010 9.718 3.817 1.00 0.00 H new ATOM 0 HA ARG A 78 7.048 8.654 6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.118 11.602 5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.077 11.010 6.952 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.336 10.829 4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.378 11.465 6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.185 8.533 5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.500 9.305 6.598 1.00 0.00 H new ATOM 0 HE ARG A 78 7.905 9.470 7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.773 7.529 7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.618 6.707 9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.679 8.386 9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.883 7.188 10.410 1.00 0.00 H new ATOM 1248 N MET A 79 4.722 10.207 4.428 1.00 0.00 N ATOM 1249 CA MET A 79 3.296 10.390 4.286 1.00 0.00 C ATOM 1250 C MET A 79 2.555 9.157 4.717 1.00 0.00 C ATOM 1251 O MET A 79 1.482 9.266 5.245 1.00 0.00 O ATOM 1252 CB MET A 79 2.936 10.671 2.829 1.00 0.00 C ATOM 1253 CG MET A 79 3.655 9.708 1.880 1.00 0.00 C ATOM 1254 SD MET A 79 4.258 10.576 0.425 1.00 0.00 S ATOM 1255 CE MET A 79 3.154 9.858 -0.792 1.00 0.00 C ATOM 0 H MET A 79 5.249 10.530 3.617 1.00 0.00 H new ATOM 0 HA MET A 79 3.011 11.234 4.915 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.858 10.579 2.695 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.202 11.698 2.578 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.489 9.235 2.398 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.974 8.912 1.578 1.00 0.00 H new ATOM 0 HE1 MET A 79 3.659 9.807 -1.756 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.870 8.854 -0.478 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.261 10.476 -0.883 1.00 0.00 H new ATOM 1265 N ARG A 80 3.127 7.972 4.579 1.00 0.00 N ATOM 1266 CA ARG A 80 2.560 6.733 5.029 1.00 0.00 C ATOM 1267 C ARG A 80 2.199 6.832 6.472 1.00 0.00 C ATOM 1268 O ARG A 80 1.427 6.023 6.875 1.00 0.00 O ATOM 1269 CB ARG A 80 3.499 5.568 4.805 1.00 0.00 C ATOM 1270 CG ARG A 80 3.843 5.396 3.328 1.00 0.00 C ATOM 1271 CD ARG A 80 5.011 4.426 3.165 1.00 0.00 C ATOM 1272 NE ARG A 80 6.314 4.995 3.536 1.00 0.00 N ATOM 1273 CZ ARG A 80 6.843 5.006 4.741 1.00 0.00 C ATOM 1274 NH1 ARG A 80 6.260 4.353 5.708 1.00 0.00 N ATOM 1275 NH2 ARG A 80 7.975 5.628 4.968 1.00 0.00 N ATOM 0 H ARG A 80 4.036 7.854 4.131 1.00 0.00 H new ATOM 0 HA ARG A 80 1.661 6.547 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.414 5.723 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.040 4.653 5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.974 5.023 2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.100 6.362 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.824 3.542 3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.053 4.094 2.128 1.00 0.00 H new ATOM 0 HE ARG A 80 6.861 5.422 2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.399 3.837 5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.666 4.358 6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.454 6.109 4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.376 5.630 5.906 1.00 0.00 H new ATOM 1289 N ASP A 81 2.705 7.756 7.241 1.00 0.00 N ATOM 1290 CA ASP A 81 2.437 7.974 8.637 1.00 0.00 C ATOM 1291 C ASP A 81 1.068 7.415 9.009 1.00 0.00 C ATOM 1292 O ASP A 81 0.986 6.456 9.789 1.00 0.00 O ATOM 1293 CB ASP A 81 2.401 9.469 8.959 1.00 0.00 C ATOM 1294 CG ASP A 81 2.754 9.788 10.416 1.00 0.00 C ATOM 1295 OD1 ASP A 81 2.670 8.865 11.258 1.00 0.00 O ATOM 1296 OD2 ASP A 81 3.176 10.940 10.648 1.00 0.00 O ATOM 0 H ASP A 81 3.373 8.435 6.876 1.00 0.00 H new ATOM 0 HA ASP A 81 3.231 7.478 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.097 9.991 8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.405 9.856 8.741 1.00 0.00 H new ATOM 1301 N GLN A 82 0.040 7.825 8.231 1.00 0.00 N ATOM 1302 CA GLN A 82 -1.302 7.358 8.444 1.00 0.00 C ATOM 1303 C GLN A 82 -1.487 6.041 7.809 1.00 0.00 C ATOM 1304 O GLN A 82 -1.469 5.062 8.527 1.00 0.00 O ATOM 1305 CB GLN A 82 -2.329 8.361 7.939 1.00 0.00 C ATOM 1306 CG GLN A 82 -2.732 9.342 9.039 1.00 0.00 C ATOM 1307 CD GLN A 82 -1.529 9.948 9.760 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -0.669 9.304 10.316 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -1.471 11.259 9.786 1.00 0.00 N ATOM 0 H GLN A 82 0.140 8.480 7.455 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.459 7.251 9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.919 8.910 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.211 7.832 7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.331 10.142 8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.364 8.829 9.764 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.191 11.811 9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.705 11.726 10.272 1.00 0.00 H new ATOM 1318 N VAL A 83 -1.762 6.020 6.505 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.903 4.818 5.707 1.00 0.00 C ATOM 1320 C VAL A 83 -1.147 3.681 6.342 1.00 0.00 C ATOM 1321 O VAL A 83 -1.711 2.641 6.546 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.436 5.035 4.270 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -0.625 6.307 4.117 1.00 0.00 C ATOM 1324 CG2 VAL A 83 -0.663 3.841 3.753 1.00 0.00 C ATOM 0 H VAL A 83 -1.896 6.874 5.963 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.963 4.565 5.671 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.335 5.147 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.315 6.418 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.233 7.163 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.257 6.255 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.346 4.029 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.214 3.676 4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.299 2.956 3.779 1.00 0.00 H new ATOM 1334 N MET A 84 0.102 3.830 6.700 1.00 0.00 N ATOM 1335 CA MET A 84 0.913 2.890 7.402 1.00 0.00 C ATOM 1336 C MET A 84 0.104 2.103 8.421 1.00 0.00 C ATOM 1337 O MET A 84 -0.050 0.890 8.291 1.00 0.00 O ATOM 1338 CB MET A 84 2.064 3.586 8.115 1.00 0.00 C ATOM 1339 CG MET A 84 3.046 2.561 8.660 1.00 0.00 C ATOM 1340 SD MET A 84 3.442 2.889 10.391 1.00 0.00 S ATOM 1341 CE MET A 84 4.034 4.599 10.221 1.00 0.00 C ATOM 0 H MET A 84 0.613 4.686 6.486 1.00 0.00 H new ATOM 0 HA MET A 84 1.310 2.200 6.657 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.575 4.258 7.425 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.678 4.199 8.930 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.622 1.561 8.565 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.960 2.578 8.066 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.808 4.791 10.964 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.445 4.744 9.222 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.204 5.288 10.375 1.00 0.00 H new ATOM 1351 N SER A 85 -0.458 2.798 9.417 1.00 0.00 N ATOM 1352 CA SER A 85 -1.308 2.205 10.415 1.00 0.00 C ATOM 1353 C SER A 85 -2.750 2.147 9.943 1.00 0.00 C ATOM 1354 O SER A 85 -3.688 2.321 10.702 1.00 0.00 O ATOM 1355 CB SER A 85 -1.211 2.982 11.723 1.00 0.00 C ATOM 1356 OG SER A 85 -1.743 2.209 12.793 1.00 0.00 O ATOM 0 H SER A 85 -0.323 3.802 9.540 1.00 0.00 H new ATOM 0 HA SER A 85 -0.967 1.184 10.584 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.171 3.234 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.756 3.922 11.638 1.00 0.00 H new ATOM 0 HG SER A 85 -2.690 2.024 12.624 1.00 0.00 H new ATOM 1362 N MET A 86 -2.957 1.789 8.674 1.00 0.00 N ATOM 1363 CA MET A 86 -4.262 1.688 8.077 1.00 0.00 C ATOM 1364 C MET A 86 -4.296 0.658 6.964 1.00 0.00 C ATOM 1365 O MET A 86 -5.194 -0.165 6.891 1.00 0.00 O ATOM 1366 CB MET A 86 -4.663 3.037 7.505 1.00 0.00 C ATOM 1367 CG MET A 86 -5.367 3.895 8.545 1.00 0.00 C ATOM 1368 SD MET A 86 -6.890 3.082 9.091 1.00 0.00 S ATOM 1369 CE MET A 86 -6.836 3.526 10.839 1.00 0.00 C ATOM 0 H MET A 86 -2.198 1.560 8.032 1.00 0.00 H new ATOM 0 HA MET A 86 -4.957 1.375 8.856 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.777 3.557 7.141 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.320 2.889 6.648 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.708 4.061 9.397 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.598 4.874 8.125 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.821 3.381 11.282 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.111 2.895 11.353 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.543 4.571 10.940 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.261 0.611 6.134 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.114 -0.323 5.056 1.00 0.00 C ATOM 1381 C ALA A 87 -2.618 -1.633 5.624 1.00 0.00 C ATOM 1382 O ALA A 87 -2.252 -2.517 4.880 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.188 0.251 3.999 1.00 0.00 C ATOM 0 H ALA A 87 -2.475 1.256 6.208 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.068 -0.509 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.080 -0.463 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.607 1.181 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.211 0.448 4.440 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.549 -1.772 6.943 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.129 -2.982 7.593 1.00 0.00 C ATOM 1391 C HIS A 88 -3.338 -3.771 8.024 1.00 0.00 C ATOM 1392 O HIS A 88 -3.229 -4.959 8.248 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.196 -2.632 8.752 1.00 0.00 C ATOM 1394 CG HIS A 88 -1.875 -2.132 9.992 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -2.715 -1.070 10.133 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 -1.744 -2.716 11.236 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 -3.087 -1.001 11.456 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 -2.476 -2.015 12.117 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.791 -1.024 7.593 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.568 -3.617 6.907 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.614 -3.517 9.008 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.491 -1.873 8.413 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.152 -3.590 11.463 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.750 -0.268 11.892 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.558 -2.212 13.114 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.475 -3.105 8.203 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.717 -3.745 8.579 1.00 0.00 C ATOM 1409 C ASN A 89 -6.702 -3.719 7.428 1.00 0.00 C ATOM 1410 O ASN A 89 -7.659 -4.471 7.424 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.338 -3.011 9.770 1.00 0.00 C ATOM 1412 CG ASN A 89 -5.842 -3.575 11.081 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -4.539 -3.791 11.140 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -6.568 -3.811 12.018 1.00 0.00 N flip ATOM 0 H ASN A 89 -4.553 -2.095 8.088 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.500 -4.779 8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.095 -1.950 9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.424 -3.092 9.724 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.570 -3.634 11.944 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.179 -4.187 12.883 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.480 -2.825 6.471 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.297 -2.731 5.285 1.00 0.00 C ATOM 1423 C LEU A 90 -7.202 -4.019 4.463 1.00 0.00 C ATOM 1424 O LEU A 90 -8.221 -4.579 4.084 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.900 -1.487 4.473 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.651 -0.210 4.878 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -6.943 1.019 4.303 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.110 -0.270 4.415 1.00 0.00 C ATOM 0 H LEU A 90 -5.721 -2.144 6.504 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.342 -2.616 5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.829 -1.318 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.081 -1.683 3.416 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.650 -0.132 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.483 1.920 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.924 1.065 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.917 0.948 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.624 0.644 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.144 -0.369 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.602 -1.128 4.873 1.00 0.00 H new ATOM 1440 N PRO A 91 -5.962 -4.484 4.207 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.732 -5.705 3.479 1.00 0.00 C ATOM 1442 C PRO A 91 -6.049 -6.914 4.309 1.00 0.00 C ATOM 1443 O PRO A 91 -6.462 -7.934 3.788 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.280 -5.665 3.016 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.611 -4.662 3.922 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.710 -3.893 4.623 1.00 0.00 C ATOM 0 HA PRO A 91 -6.395 -5.783 2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.812 -6.646 3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.207 -5.364 1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.970 -5.165 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.975 -3.988 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.595 -3.953 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.673 -2.837 4.357 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.868 -6.822 5.606 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.149 -7.909 6.512 1.00 0.00 C ATOM 1456 C ILE A 92 -7.644 -8.163 6.563 1.00 0.00 C ATOM 1457 O ILE A 92 -8.059 -9.310 6.481 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.560 -7.592 7.889 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.075 -7.974 7.939 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.368 -8.276 8.998 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.664 -8.520 9.300 1.00 0.00 C ATOM 0 H ILE A 92 -5.518 -5.981 6.066 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.679 -8.827 6.159 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.627 -6.518 8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.868 -8.721 7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.469 -7.099 7.703 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.931 -8.036 9.967 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.399 -7.923 8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.350 -9.356 8.849 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.605 -8.776 9.285 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.844 -7.764 10.065 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.249 -9.411 9.526 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.426 -7.096 6.697 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.872 -7.207 6.749 1.00 0.00 C ATOM 1475 C GLU A 93 -10.405 -7.792 5.445 1.00 0.00 C ATOM 1476 O GLU A 93 -11.515 -8.317 5.403 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.510 -5.838 7.011 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.701 -5.608 8.516 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.180 -5.405 8.854 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.773 -4.453 8.292 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.687 -6.199 9.678 1.00 0.00 O ATOM 0 H GLU A 93 -8.076 -6.141 6.772 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.135 -7.875 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.880 -5.052 6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.473 -5.777 6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.311 -6.461 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.129 -4.735 8.830 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.607 -7.699 4.375 1.00 0.00 N ATOM 1489 CA CYS A 94 -9.961 -8.268 3.105 1.00 0.00 C ATOM 1490 C CYS A 94 -9.468 -9.702 3.024 1.00 0.00 C ATOM 1491 O CYS A 94 -9.874 -10.407 2.111 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.403 -7.408 1.971 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.510 -6.079 1.415 1.00 0.00 S ATOM 0 H CYS A 94 -8.704 -7.225 4.383 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.046 -8.285 3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.461 -6.966 2.297 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.175 -8.053 1.122 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.587 -10.102 3.944 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.029 -11.429 4.007 1.00 0.00 C ATOM 1500 C ASN A 95 -6.845 -11.498 3.042 1.00 0.00 C ATOM 1501 O ASN A 95 -6.508 -12.529 2.483 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.073 -12.476 3.629 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.795 -13.808 4.270 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.591 -14.346 4.993 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.604 -14.324 4.041 1.00 0.00 N ATOM 0 H ASN A 95 -8.241 -9.485 4.679 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.701 -11.638 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.061 -12.128 3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.093 -12.593 2.545 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.336 -15.204 4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.950 -13.844 3.422 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.202 -10.383 2.773 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.094 -10.312 1.865 1.00 0.00 C ATOM 1514 C LEU A 96 -3.847 -10.681 2.631 1.00 0.00 C ATOM 1515 O LEU A 96 -3.204 -11.664 2.303 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.015 -8.924 1.209 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.354 -8.380 0.702 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.194 -6.953 0.258 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.949 -9.234 -0.399 1.00 0.00 C ATOM 0 H LEU A 96 -6.445 -9.485 3.192 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.215 -11.015 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.601 -8.219 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.317 -8.971 0.373 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.060 -8.417 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.151 -6.574 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.856 -6.346 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.459 -6.902 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.897 -8.803 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.261 -9.270 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.118 -10.244 -0.025 1.00 0.00 H new ATOM 1531 N MET A 97 -3.560 -9.976 3.720 1.00 0.00 N ATOM 1532 CA MET A 97 -2.394 -10.222 4.534 1.00 0.00 C ATOM 1533 C MET A 97 -2.768 -10.511 5.966 1.00 0.00 C ATOM 1534 O MET A 97 -1.948 -10.270 6.855 1.00 0.00 O ATOM 1535 CB MET A 97 -1.448 -9.033 4.445 1.00 0.00 C ATOM 1536 CG MET A 97 -1.982 -7.852 5.249 1.00 0.00 C ATOM 1537 SD MET A 97 -0.820 -6.491 5.224 1.00 0.00 S ATOM 1538 CE MET A 97 -0.171 -6.590 6.890 1.00 0.00 C ATOM 0 H MET A 97 -4.143 -9.211 4.059 1.00 0.00 H new ATOM 0 HA MET A 97 -1.887 -11.108 4.152 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.464 -9.317 4.818 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.321 -8.741 3.403 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.938 -7.528 4.837 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.166 -8.160 6.278 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.571 -5.805 7.039 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.983 -6.462 7.605 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.295 -7.564 7.042 1.00 0.00 H new ATOM 1548 N SER A 98 -4.014 -10.961 6.186 1.00 0.00 N ATOM 1549 CA SER A 98 -4.521 -11.240 7.515 1.00 0.00 C ATOM 1550 C SER A 98 -3.424 -11.784 8.419 1.00 0.00 C ATOM 1551 O SER A 98 -2.904 -11.140 9.314 1.00 0.00 O ATOM 1552 CB SER A 98 -5.683 -12.230 7.460 1.00 0.00 C ATOM 1553 OG SER A 98 -6.056 -12.645 8.760 1.00 0.00 O ATOM 0 H SER A 98 -4.688 -11.137 5.441 1.00 0.00 H new ATOM 0 HA SER A 98 -4.880 -10.298 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.536 -11.768 6.963 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.399 -13.098 6.865 1.00 0.00 H new ATOM 0 HG SER A 98 -6.803 -13.277 8.700 1.00 0.00 H new ATOM 1559 N GLN A 99 -3.007 -13.012 8.167 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.889 -13.614 8.861 1.00 0.00 C ATOM 1561 C GLN A 99 -1.281 -14.764 8.053 1.00 0.00 C ATOM 1562 O GLN A 99 -1.187 -15.888 8.531 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.399 -14.079 10.224 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.389 -13.727 11.316 1.00 0.00 C ATOM 1565 CD GLN A 99 -1.504 -12.256 11.703 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -2.326 -11.823 12.509 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -0.604 -11.448 11.157 1.00 0.00 N ATOM 0 H GLN A 99 -3.438 -13.620 7.471 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.085 -12.890 8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.358 -13.609 10.441 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.568 -15.156 10.209 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.560 -14.353 12.192 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.379 -13.938 10.966 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.074 -11.816 10.490 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.590 -10.459 11.405 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.919 -14.470 6.792 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.319 -15.454 5.921 1.00 0.00 C ATOM 1578 C PRO A 100 1.110 -15.774 6.319 1.00 0.00 C ATOM 1579 O PRO A 100 1.411 -16.875 6.789 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.442 -14.902 4.497 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.658 -13.402 4.675 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.997 -13.176 6.139 1.00 0.00 C ATOM 0 HA PRO A 100 -0.834 -16.412 5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.457 -15.105 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.276 -15.361 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.238 -12.847 4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.465 -13.049 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.300 -12.471 6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.995 -12.750 6.243 1.00 0.00 H new ATOM 1590 N CYS A 101 1.990 -14.808 6.096 1.00 0.00 N ATOM 1591 CA CYS A 101 3.381 -14.954 6.441 1.00 0.00 C ATOM 1592 C CYS A 101 3.518 -14.872 7.960 1.00 0.00 C ATOM 1593 O CYS A 101 2.540 -14.663 8.685 1.00 0.00 O ATOM 1594 CB CYS A 101 4.232 -13.898 5.729 1.00 0.00 C ATOM 1595 SG CYS A 101 3.601 -13.402 4.090 1.00 0.00 S ATOM 0 H CYS A 101 1.754 -13.910 5.673 1.00 0.00 H new ATOM 0 HA CYS A 101 3.749 -15.924 6.108 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.297 -13.014 6.363 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.245 -14.283 5.614 1.00 0.00 H new