USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=14 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 : no HD1:sc= -2.2 K(o=-3.4,f=-1) USER MOD Set 1.2: A 89 ASN : amide:sc= -1.18 K(o=-3.4,f=-1) USER MOD Set 2.1: A 22 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.37) USER MOD Set 2.2: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.791 K(o=-0.79,f=-0.13) USER MOD Single : A 15 MET CE :methyl 179:sc= -4.92! (180deg=-4.95!) USER MOD Single : A 20 MET CE :methyl -134:sc= -5.17 (180deg=-10.6!) USER MOD Single : A 23 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=0) 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 148:sc= -2.3! (180deg=-4.79!) USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.056 (180deg=-0.446) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 53 MET CE :methyl -150:sc= -0.223 (180deg=-0.813) USER MOD Single : A 54 GLN : amide:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= 0.0394 (180deg=0.0159) USER MOD Single : A 63 MET CE :methyl 156:sc= -3.31! (180deg=-5.7!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -151:sc= -11.5! (180deg=-16.6!) USER MOD Single : A 72 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.4) USER MOD Single : A 79 MET CE :methyl 168:sc= -5.27! (180deg=-6.26!) USER MOD Single : A 82 GLN : amide:sc= -0.839 K(o=-0.84,f=0) USER MOD Single : A 84 MET CE :methyl 170:sc= -1.7 (180deg=-1.81) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 1.1 K(o=1.1,f=-0.21) 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= -0.503 K(o=-0.5,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 11 6.255 -9.908 -7.612 1.00 0.00 N ATOM 146 CA CYS A 11 5.041 -9.349 -6.981 1.00 0.00 C ATOM 147 C CYS A 11 5.065 -7.810 -6.878 1.00 0.00 C ATOM 148 O CYS A 11 4.067 -7.164 -7.165 1.00 0.00 O ATOM 149 CB CYS A 11 4.910 -9.900 -5.562 1.00 0.00 C ATOM 150 SG CYS A 11 4.740 -11.664 -5.179 1.00 0.00 S ATOM 0 HA CYS A 11 4.203 -9.638 -7.615 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.787 -9.552 -5.017 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.044 -9.407 -5.121 1.00 0.00 H new ATOM 155 N TYR A 12 6.225 -7.252 -6.513 1.00 0.00 N ATOM 156 CA TYR A 12 6.576 -5.814 -6.506 1.00 0.00 C ATOM 157 C TYR A 12 6.432 -5.069 -7.832 1.00 0.00 C ATOM 158 O TYR A 12 6.145 -3.887 -7.873 1.00 0.00 O ATOM 159 CB TYR A 12 8.041 -5.694 -6.078 1.00 0.00 C ATOM 160 CG TYR A 12 8.550 -4.263 -6.009 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.878 -3.336 -5.198 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.593 -3.816 -6.848 1.00 0.00 C ATOM 163 CE1 TYR A 12 8.276 -1.988 -5.151 1.00 0.00 C ATOM 164 CE2 TYR A 12 10.022 -2.473 -6.785 1.00 0.00 C ATOM 165 CZ TYR A 12 9.390 -1.567 -5.898 1.00 0.00 C ATOM 166 OH TYR A 12 9.868 -0.311 -5.701 1.00 0.00 O ATOM 0 H TYR A 12 7.003 -7.828 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 12 5.860 -5.350 -5.827 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.162 -6.159 -5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.660 -6.256 -6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.041 -3.663 -4.600 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.063 -4.501 -7.538 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.729 -1.281 -4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.833 -2.136 -7.414 1.00 0.00 H new ATOM 0 HH TYR A 12 10.640 -0.160 -6.285 1.00 0.00 H new ATOM 176 N GLN A 13 6.588 -5.800 -8.912 1.00 0.00 N ATOM 177 CA GLN A 13 6.284 -5.315 -10.254 1.00 0.00 C ATOM 178 C GLN A 13 4.817 -5.495 -10.663 1.00 0.00 C ATOM 179 O GLN A 13 4.337 -4.760 -11.508 1.00 0.00 O ATOM 180 CB GLN A 13 7.147 -6.110 -11.234 1.00 0.00 C ATOM 181 CG GLN A 13 8.007 -5.182 -12.081 1.00 0.00 C ATOM 182 CD GLN A 13 8.254 -5.806 -13.440 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.259 -6.441 -13.720 1.00 0.00 O ATOM 184 NE2 GLN A 13 7.280 -5.720 -14.315 1.00 0.00 N ATOM 0 H GLN A 13 6.933 -6.760 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 13 6.487 -4.244 -10.267 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.785 -6.802 -10.684 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.509 -6.711 -11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.511 -4.218 -12.198 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.956 -4.993 -11.580 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.437 -5.192 -14.090 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.366 -6.181 -15.221 1.00 0.00 H new ATOM 193 N GLN A 14 4.101 -6.492 -10.129 1.00 0.00 N ATOM 194 CA GLN A 14 2.644 -6.642 -10.406 1.00 0.00 C ATOM 195 C GLN A 14 1.806 -5.621 -9.650 1.00 0.00 C ATOM 196 O GLN A 14 0.857 -5.073 -10.182 1.00 0.00 O ATOM 197 CB GLN A 14 2.118 -8.020 -9.997 1.00 0.00 C ATOM 198 CG GLN A 14 2.275 -9.101 -11.078 1.00 0.00 C ATOM 199 CD GLN A 14 3.024 -10.332 -10.604 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.634 -11.473 -10.750 1.00 0.00 O ATOM 201 NE2 GLN A 14 4.165 -10.158 -10.009 1.00 0.00 N ATOM 0 H GLN A 14 4.488 -7.204 -9.510 1.00 0.00 H new ATOM 0 HA GLN A 14 2.550 -6.496 -11.482 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.641 -8.344 -9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.063 -7.932 -9.738 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.287 -9.400 -11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.799 -8.674 -11.933 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.528 -9.215 -9.867 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.699 -10.964 -9.684 1.00 0.00 H new ATOM 210 N MET A 15 2.153 -5.388 -8.394 1.00 0.00 N ATOM 211 CA MET A 15 1.535 -4.319 -7.588 1.00 0.00 C ATOM 212 C MET A 15 1.632 -2.938 -8.222 1.00 0.00 C ATOM 213 O MET A 15 0.603 -2.327 -8.442 1.00 0.00 O ATOM 214 CB MET A 15 2.132 -4.211 -6.195 1.00 0.00 C ATOM 215 CG MET A 15 3.623 -4.365 -6.220 1.00 0.00 C ATOM 216 SD MET A 15 4.452 -3.076 -5.330 1.00 0.00 S ATOM 217 CE MET A 15 4.410 -4.007 -3.831 1.00 0.00 C ATOM 0 H MET A 15 2.865 -5.924 -7.897 1.00 0.00 H new ATOM 0 HA MET A 15 0.489 -4.621 -7.533 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.873 -3.245 -5.761 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.697 -4.976 -5.552 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.893 -5.330 -5.791 1.00 0.00 H new ATOM 0 HG3 MET A 15 3.968 -4.368 -7.254 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.899 -3.441 -3.038 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.374 -4.202 -3.553 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.931 -4.953 -3.976 1.00 0.00 H new ATOM 227 N GLU A 16 2.840 -2.422 -8.443 1.00 0.00 N ATOM 228 CA GLU A 16 2.998 -1.099 -9.079 1.00 0.00 C ATOM 229 C GLU A 16 2.219 -1.002 -10.400 1.00 0.00 C ATOM 230 O GLU A 16 1.529 -0.021 -10.659 1.00 0.00 O ATOM 231 CB GLU A 16 4.495 -0.755 -9.260 1.00 0.00 C ATOM 232 CG GLU A 16 5.127 -1.369 -10.531 1.00 0.00 C ATOM 233 CD GLU A 16 6.630 -1.119 -10.787 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.945 -0.129 -11.483 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.468 -1.992 -10.437 1.00 0.00 O ATOM 0 H GLU A 16 3.716 -2.885 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 16 2.566 -0.353 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.607 0.329 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.046 -1.103 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.969 -2.447 -10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.575 -0.995 -11.393 1.00 0.00 H new ATOM 242 N GLU A 17 2.298 -2.070 -11.200 1.00 0.00 N ATOM 243 CA GLU A 17 1.622 -2.189 -12.499 1.00 0.00 C ATOM 244 C GLU A 17 0.103 -2.072 -12.344 1.00 0.00 C ATOM 245 O GLU A 17 -0.565 -1.424 -13.154 1.00 0.00 O ATOM 246 CB GLU A 17 2.072 -3.480 -13.217 1.00 0.00 C ATOM 247 CG GLU A 17 1.458 -3.637 -14.617 1.00 0.00 C ATOM 248 CD GLU A 17 0.100 -4.374 -14.648 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.070 -5.521 -14.119 1.00 0.00 O ATOM 250 OE2 GLU A 17 -0.852 -3.884 -15.281 1.00 0.00 O ATOM 0 H GLU A 17 2.846 -2.896 -10.958 1.00 0.00 H new ATOM 0 HA GLU A 17 1.917 -1.356 -13.138 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.159 -3.482 -13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.798 -4.342 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.329 -2.647 -15.055 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.163 -4.176 -15.250 1.00 0.00 H new ATOM 257 N ALA A 18 -0.407 -2.628 -11.243 1.00 0.00 N ATOM 258 CA ALA A 18 -1.818 -2.726 -10.906 1.00 0.00 C ATOM 259 C ALA A 18 -2.138 -1.960 -9.614 1.00 0.00 C ATOM 260 O ALA A 18 -3.005 -2.414 -8.870 1.00 0.00 O ATOM 261 CB ALA A 18 -2.255 -4.215 -10.918 1.00 0.00 C ATOM 0 H ALA A 18 0.190 -3.043 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.424 -2.230 -11.665 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.313 -4.286 -10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.090 -4.635 -11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.669 -4.772 -10.187 1.00 0.00 H new ATOM 267 N GLU A 19 -1.501 -0.781 -9.409 1.00 0.00 N ATOM 268 CA GLU A 19 -1.591 0.142 -8.255 1.00 0.00 C ATOM 269 C GLU A 19 -2.936 0.052 -7.498 1.00 0.00 C ATOM 270 O GLU A 19 -3.873 0.867 -7.582 1.00 0.00 O ATOM 271 CB GLU A 19 -1.206 1.597 -8.594 1.00 0.00 C ATOM 272 CG GLU A 19 -1.602 2.038 -10.007 1.00 0.00 C ATOM 273 CD GLU A 19 -1.986 3.532 -10.140 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.797 4.012 -9.271 1.00 0.00 O ATOM 275 OE2 GLU A 19 -1.587 4.200 -11.100 1.00 0.00 O ATOM 0 H GLU A 19 -0.854 -0.422 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.829 -0.214 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.678 2.264 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.128 1.712 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.773 1.830 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.444 1.431 -10.339 1.00 0.00 H new ATOM 282 N MET A 20 -3.024 -0.994 -6.682 1.00 0.00 N ATOM 283 CA MET A 20 -4.275 -1.390 -6.014 1.00 0.00 C ATOM 284 C MET A 20 -4.372 -0.696 -4.665 1.00 0.00 C ATOM 285 O MET A 20 -5.380 -0.097 -4.273 1.00 0.00 O ATOM 286 CB MET A 20 -4.414 -2.918 -5.951 1.00 0.00 C ATOM 287 CG MET A 20 -3.293 -3.645 -5.225 1.00 0.00 C ATOM 288 SD MET A 20 -1.950 -4.089 -6.294 1.00 0.00 S ATOM 289 CE MET A 20 -0.700 -3.065 -5.492 1.00 0.00 C ATOM 0 H MET A 20 -2.232 -1.597 -6.460 1.00 0.00 H new ATOM 0 HA MET A 20 -5.132 -1.058 -6.599 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.358 -3.160 -5.462 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.474 -3.303 -6.969 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.917 -3.011 -4.422 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.693 -4.546 -4.760 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.133 -2.524 -6.249 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.186 -2.353 -4.825 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.025 -3.699 -4.917 1.00 0.00 H new ATOM 299 N LEU A 21 -3.225 -0.600 -4.014 1.00 0.00 N ATOM 300 CA LEU A 21 -3.049 0.003 -2.709 1.00 0.00 C ATOM 301 C LEU A 21 -2.796 1.522 -2.776 1.00 0.00 C ATOM 302 O LEU A 21 -2.617 2.189 -1.757 1.00 0.00 O ATOM 303 CB LEU A 21 -1.983 -0.808 -2.007 1.00 0.00 C ATOM 304 CG LEU A 21 -2.453 -2.019 -1.159 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.215 -1.678 0.139 1.00 0.00 C ATOM 306 CD2 LEU A 21 -3.248 -2.992 -1.951 1.00 0.00 C ATOM 0 H LEU A 21 -2.352 -0.958 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.965 -0.037 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.287 -1.174 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.423 -0.137 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.510 -2.469 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.494 -2.600 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.576 -1.082 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.114 -1.112 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.552 -3.820 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.134 -2.498 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.642 -3.373 -2.773 1.00 0.00 H new ATOM 318 N ASN A 22 -2.985 2.084 -3.969 1.00 0.00 N ATOM 319 CA ASN A 22 -2.982 3.516 -4.253 1.00 0.00 C ATOM 320 C ASN A 22 -4.325 4.167 -3.962 1.00 0.00 C ATOM 321 O ASN A 22 -4.419 5.231 -3.359 1.00 0.00 O ATOM 322 CB ASN A 22 -2.667 3.679 -5.740 1.00 0.00 C ATOM 323 CG ASN A 22 -1.194 3.974 -5.875 1.00 0.00 C ATOM 324 OD1 ASN A 22 -0.356 3.151 -5.585 1.00 0.00 O ATOM 325 ND2 ASN A 22 -0.854 5.193 -6.190 1.00 0.00 N ATOM 0 H ASN A 22 -3.153 1.524 -4.805 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.243 4.001 -3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.925 2.772 -6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.258 4.488 -6.168 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.130 5.463 -6.194 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.572 5.876 -6.432 1.00 0.00 H new ATOM 332 N HIS A 23 -5.405 3.510 -4.395 1.00 0.00 N ATOM 333 CA HIS A 23 -6.781 3.967 -4.220 1.00 0.00 C ATOM 334 C HIS A 23 -7.099 4.026 -2.733 1.00 0.00 C ATOM 335 O HIS A 23 -7.301 5.106 -2.187 1.00 0.00 O ATOM 336 CB HIS A 23 -7.775 3.063 -4.983 1.00 0.00 C ATOM 337 CG HIS A 23 -7.655 3.161 -6.492 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.527 3.769 -7.394 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.634 2.618 -7.218 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.025 3.592 -8.633 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.864 2.904 -8.547 1.00 0.00 N ATOM 0 H HIS A 23 -5.341 2.621 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.886 4.966 -4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.616 2.028 -4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.791 3.328 -4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.796 2.064 -6.822 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.478 3.944 -9.548 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.263 2.642 -9.329 1.00 0.00 H new ATOM 350 N CYS A 24 -7.110 2.878 -2.055 1.00 0.00 N ATOM 351 CA CYS A 24 -7.253 2.884 -0.594 1.00 0.00 C ATOM 352 C CYS A 24 -6.246 3.789 0.086 1.00 0.00 C ATOM 353 O CYS A 24 -6.615 4.448 1.039 1.00 0.00 O ATOM 354 CB CYS A 24 -7.131 1.476 -0.042 1.00 0.00 C ATOM 355 SG CYS A 24 -8.791 0.775 0.068 1.00 0.00 S ATOM 0 H CYS A 24 -7.024 1.954 -2.477 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.246 3.279 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.502 0.866 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.658 1.491 0.940 1.00 0.00 H new ATOM 360 N GLY A 25 -5.036 3.905 -0.467 1.00 0.00 N ATOM 361 CA GLY A 25 -4.020 4.828 0.010 1.00 0.00 C ATOM 362 C GLY A 25 -4.487 6.287 -0.028 1.00 0.00 C ATOM 363 O GLY A 25 -4.446 6.953 0.995 1.00 0.00 O ATOM 0 H GLY A 25 -4.737 3.350 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.745 4.564 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.122 4.721 -0.599 1.00 0.00 H new ATOM 367 N MET A 26 -4.997 6.795 -1.153 1.00 0.00 N ATOM 368 CA MET A 26 -5.501 8.179 -1.317 1.00 0.00 C ATOM 369 C MET A 26 -6.585 8.565 -0.307 1.00 0.00 C ATOM 370 O MET A 26 -6.643 9.718 0.105 1.00 0.00 O ATOM 371 CB MET A 26 -6.125 8.346 -2.708 1.00 0.00 C ATOM 372 CG MET A 26 -5.258 9.098 -3.691 1.00 0.00 C ATOM 373 SD MET A 26 -6.127 9.351 -5.264 1.00 0.00 S ATOM 374 CE MET A 26 -4.944 8.539 -6.369 1.00 0.00 C ATOM 0 H MET A 26 -5.077 6.244 -2.008 1.00 0.00 H new ATOM 0 HA MET A 26 -4.633 8.821 -1.164 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.345 7.359 -3.116 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.076 8.868 -2.607 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.975 10.062 -3.268 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.336 8.544 -3.866 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.309 8.592 -7.395 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.979 9.040 -6.300 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.832 7.495 -6.078 1.00 0.00 H new ATOM 384 N TYR A 27 -7.466 7.622 0.042 1.00 0.00 N ATOM 385 CA TYR A 27 -8.463 7.778 1.119 1.00 0.00 C ATOM 386 C TYR A 27 -7.821 8.117 2.471 1.00 0.00 C ATOM 387 O TYR A 27 -8.345 8.932 3.220 1.00 0.00 O ATOM 388 CB TYR A 27 -9.262 6.477 1.226 1.00 0.00 C ATOM 389 CG TYR A 27 -10.463 6.563 2.126 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.590 7.297 1.715 1.00 0.00 C ATOM 391 CD2 TYR A 27 -10.442 5.922 3.378 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.713 7.382 2.556 1.00 0.00 C ATOM 393 CE2 TYR A 27 -11.559 6.007 4.223 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.694 6.735 3.815 1.00 0.00 C ATOM 395 OH TYR A 27 -13.766 6.770 4.642 1.00 0.00 O ATOM 0 H TYR A 27 -7.511 6.713 -0.419 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.114 8.615 0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.590 6.182 0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.604 5.689 1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.593 7.794 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.569 5.366 3.688 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.585 7.937 2.244 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.549 5.515 5.184 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.565 6.268 5.460 1.00 0.00 H new ATOM 405 N LEU A 28 -6.650 7.540 2.750 1.00 0.00 N ATOM 406 CA LEU A 28 -5.862 7.781 3.967 1.00 0.00 C ATOM 407 C LEU A 28 -5.042 9.076 3.793 1.00 0.00 C ATOM 408 O LEU A 28 -4.952 9.902 4.698 1.00 0.00 O ATOM 409 CB LEU A 28 -4.982 6.535 4.265 1.00 0.00 C ATOM 410 CG LEU A 28 -5.672 5.153 4.041 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.676 4.049 3.634 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.606 4.749 5.177 1.00 0.00 C ATOM 0 H LEU A 28 -6.208 6.872 2.118 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.510 7.927 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.092 6.583 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.645 6.589 5.300 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.328 5.285 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.211 3.110 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.182 4.330 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.929 3.925 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.051 3.779 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.041 4.685 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.395 5.494 5.282 1.00 0.00 H new ATOM 424 N MET A 29 -4.547 9.320 2.569 1.00 0.00 N ATOM 425 CA MET A 29 -3.803 10.530 2.167 1.00 0.00 C ATOM 426 C MET A 29 -4.689 11.774 2.100 1.00 0.00 C ATOM 427 O MET A 29 -4.205 12.864 1.820 1.00 0.00 O ATOM 428 CB MET A 29 -3.063 10.309 0.845 1.00 0.00 C ATOM 429 CG MET A 29 -1.810 11.172 0.731 1.00 0.00 C ATOM 430 SD MET A 29 -0.538 10.565 1.850 1.00 0.00 S ATOM 431 CE MET A 29 -0.272 12.036 2.822 1.00 0.00 C ATOM 0 H MET A 29 -4.657 8.657 1.802 1.00 0.00 H new ATOM 0 HA MET A 29 -3.065 10.715 2.948 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.787 9.258 0.757 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.733 10.533 0.015 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.441 11.157 -0.294 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.050 12.208 0.968 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.000 11.755 3.840 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.533 12.624 2.380 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.186 12.629 2.841 1.00 0.00 H new ATOM 441 N LYS A 30 -5.975 11.648 2.416 1.00 0.00 N ATOM 442 CA LYS A 30 -6.905 12.787 2.443 1.00 0.00 C ATOM 443 C LYS A 30 -6.835 13.610 3.721 1.00 0.00 C ATOM 444 O LYS A 30 -7.195 14.775 3.728 1.00 0.00 O ATOM 445 CB LYS A 30 -8.316 12.263 2.169 1.00 0.00 C ATOM 446 CG LYS A 30 -9.041 13.194 1.191 1.00 0.00 C ATOM 447 CD LYS A 30 -9.993 12.411 0.278 1.00 0.00 C ATOM 448 CE LYS A 30 -10.136 13.114 -1.068 1.00 0.00 C ATOM 449 NZ LYS A 30 -8.873 13.007 -1.846 1.00 0.00 N ATOM 0 H LYS A 30 -6.407 10.757 2.661 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.608 13.487 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.265 11.256 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.875 12.196 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.603 13.944 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.310 13.729 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.615 11.400 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.970 12.319 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.956 12.670 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.387 14.163 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.086 13.056 -2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.239 13.789 -1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.410 12.101 -1.633 1.00 0.00 H new ATOM 463 N ASN A 31 -6.261 13.016 4.762 1.00 0.00 N ATOM 464 CA ASN A 31 -6.014 13.654 6.066 1.00 0.00 C ATOM 465 C ASN A 31 -4.553 13.575 6.524 1.00 0.00 C ATOM 466 O ASN A 31 -4.208 14.054 7.600 1.00 0.00 O ATOM 467 CB ASN A 31 -6.947 13.016 7.102 1.00 0.00 C ATOM 468 CG ASN A 31 -7.563 14.071 7.991 1.00 0.00 C ATOM 469 OD1 ASN A 31 -8.428 14.831 7.604 1.00 0.00 O ATOM 470 ND2 ASN A 31 -7.152 14.157 9.226 1.00 0.00 N ATOM 0 H ASN A 31 -5.942 12.048 4.728 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.223 14.719 5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.733 12.457 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.390 12.302 7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.556 14.855 9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.426 13.526 9.567 1.00 0.00 H new ATOM 758 N GLN A 49 -13.381 -0.171 -2.557 1.00 0.00 N ATOM 759 CA GLN A 49 -13.353 -1.454 -3.261 1.00 0.00 C ATOM 760 C GLN A 49 -12.388 -1.451 -4.427 1.00 0.00 C ATOM 761 O GLN A 49 -11.790 -2.474 -4.671 1.00 0.00 O ATOM 762 CB GLN A 49 -14.765 -1.826 -3.719 1.00 0.00 C ATOM 763 CG GLN A 49 -15.191 -3.109 -3.010 1.00 0.00 C ATOM 764 CD GLN A 49 -16.603 -3.507 -3.397 1.00 0.00 C ATOM 765 OE1 GLN A 49 -17.538 -2.726 -3.377 1.00 0.00 O ATOM 766 NE2 GLN A 49 -16.823 -4.741 -3.767 1.00 0.00 N ATOM 0 HA GLN A 49 -12.992 -2.208 -2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.461 -1.019 -3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.786 -1.967 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.501 -3.914 -3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.133 -2.968 -1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.054 -5.411 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.763 -5.034 -4.032 1.00 0.00 H new ATOM 775 N LEU A 50 -12.068 -0.313 -5.048 1.00 0.00 N ATOM 776 CA LEU A 50 -11.054 -0.272 -6.107 1.00 0.00 C ATOM 777 C LEU A 50 -9.658 -0.652 -5.643 1.00 0.00 C ATOM 778 O LEU A 50 -8.815 -1.001 -6.458 1.00 0.00 O ATOM 779 CB LEU A 50 -10.997 1.156 -6.610 1.00 0.00 C ATOM 780 CG LEU A 50 -12.157 1.428 -7.567 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.326 2.921 -7.646 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.851 0.917 -8.980 1.00 0.00 C ATOM 0 H LEU A 50 -12.494 0.590 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.344 -0.998 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.041 1.847 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.049 1.332 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.049 0.921 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.147 3.159 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.546 3.315 -6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.407 3.372 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.697 1.127 -9.634 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.963 1.418 -9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.675 -0.158 -8.948 1.00 0.00 H new ATOM 794 N CYS A 51 -9.420 -0.581 -4.335 1.00 0.00 N ATOM 795 CA CYS A 51 -8.237 -1.172 -3.732 1.00 0.00 C ATOM 796 C CYS A 51 -8.392 -2.678 -3.541 1.00 0.00 C ATOM 797 O CYS A 51 -7.626 -3.439 -4.123 1.00 0.00 O ATOM 798 CB CYS A 51 -7.888 -0.394 -2.463 1.00 0.00 C ATOM 799 SG CYS A 51 -8.503 -0.971 -0.863 1.00 0.00 S ATOM 0 H CYS A 51 -10.039 -0.115 -3.671 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.383 -1.083 -4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.801 -0.348 -2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.242 0.628 -2.599 1.00 0.00 H new ATOM 804 N CYS A 52 -9.437 -3.098 -2.817 1.00 0.00 N ATOM 805 CA CYS A 52 -9.750 -4.507 -2.545 1.00 0.00 C ATOM 806 C CYS A 52 -10.156 -5.281 -3.814 1.00 0.00 C ATOM 807 O CYS A 52 -10.353 -6.486 -3.754 1.00 0.00 O ATOM 808 CB CYS A 52 -10.739 -4.608 -1.374 1.00 0.00 C ATOM 809 SG CYS A 52 -9.883 -4.795 0.212 1.00 0.00 S ATOM 0 H CYS A 52 -10.104 -2.453 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.843 -5.018 -2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.364 -3.715 -1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.404 -5.458 -1.531 1.00 0.00 H new ATOM 814 N MET A 53 -10.224 -4.599 -4.963 1.00 0.00 N ATOM 815 CA MET A 53 -10.601 -5.105 -6.281 1.00 0.00 C ATOM 816 C MET A 53 -9.408 -5.839 -6.877 1.00 0.00 C ATOM 817 O MET A 53 -9.290 -7.061 -6.819 1.00 0.00 O ATOM 818 CB MET A 53 -11.088 -3.953 -7.203 1.00 0.00 C ATOM 819 CG MET A 53 -11.234 -4.378 -8.671 1.00 0.00 C ATOM 820 SD MET A 53 -12.168 -5.923 -8.854 1.00 0.00 S ATOM 821 CE MET A 53 -10.947 -6.959 -9.713 1.00 0.00 C ATOM 0 H MET A 53 -9.999 -3.605 -4.994 1.00 0.00 H new ATOM 0 HA MET A 53 -11.436 -5.799 -6.186 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.048 -3.586 -6.840 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.385 -3.123 -7.139 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.735 -3.586 -9.228 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.244 -4.501 -9.111 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.463 -7.678 -10.349 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.303 -6.329 -10.326 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.342 -7.492 -8.980 1.00 0.00 H new ATOM 831 N GLN A 54 -8.458 -5.061 -7.394 1.00 0.00 N ATOM 832 CA GLN A 54 -7.253 -5.633 -7.979 1.00 0.00 C ATOM 833 C GLN A 54 -6.319 -6.235 -6.932 1.00 0.00 C ATOM 834 O GLN A 54 -5.424 -6.996 -7.271 1.00 0.00 O ATOM 835 CB GLN A 54 -6.486 -4.588 -8.784 1.00 0.00 C ATOM 836 CG GLN A 54 -6.282 -4.959 -10.259 1.00 0.00 C ATOM 837 CD GLN A 54 -7.201 -4.137 -11.137 1.00 0.00 C ATOM 838 OE1 GLN A 54 -8.138 -4.626 -11.742 1.00 0.00 O ATOM 839 NE2 GLN A 54 -7.010 -2.840 -11.153 1.00 0.00 N ATOM 0 H GLN A 54 -8.501 -4.042 -7.418 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.590 -6.435 -8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.020 -3.639 -8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.511 -4.432 -8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.244 -4.787 -10.545 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.481 -6.021 -10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.224 -2.434 -10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.647 -2.237 -11.673 1.00 0.00 H new ATOM 848 N LEU A 55 -6.570 -5.966 -5.654 1.00 0.00 N ATOM 849 CA LEU A 55 -5.908 -6.686 -4.577 1.00 0.00 C ATOM 850 C LEU A 55 -6.106 -8.198 -4.649 1.00 0.00 C ATOM 851 O LEU A 55 -5.184 -8.922 -4.316 1.00 0.00 O ATOM 852 CB LEU A 55 -6.457 -6.162 -3.252 1.00 0.00 C ATOM 853 CG LEU A 55 -5.492 -5.167 -2.582 1.00 0.00 C ATOM 854 CD1 LEU A 55 -6.166 -4.373 -1.428 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.180 -5.938 -2.227 1.00 0.00 C ATOM 0 H LEU A 55 -7.229 -5.253 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.836 -6.513 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.417 -5.676 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.640 -6.999 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.210 -4.365 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.443 -3.685 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.012 -3.809 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.516 -5.068 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.475 -5.257 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.412 -6.756 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.736 -6.339 -3.138 1.00 0.00 H new ATOM 867 N LYS A 56 -7.266 -8.672 -5.120 1.00 0.00 N ATOM 868 CA LYS A 56 -7.511 -10.107 -5.371 1.00 0.00 C ATOM 869 C LYS A 56 -6.966 -10.611 -6.717 1.00 0.00 C ATOM 870 O LYS A 56 -6.920 -11.813 -6.927 1.00 0.00 O ATOM 871 CB LYS A 56 -9.017 -10.376 -5.302 1.00 0.00 C ATOM 872 CG LYS A 56 -9.297 -11.881 -5.161 1.00 0.00 C ATOM 873 CD LYS A 56 -10.686 -12.108 -4.583 1.00 0.00 C ATOM 874 CE LYS A 56 -10.942 -13.611 -4.435 1.00 0.00 C ATOM 875 NZ LYS A 56 -11.460 -13.951 -3.080 1.00 0.00 N ATOM 0 H LYS A 56 -8.064 -8.076 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.970 -10.654 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.448 -9.841 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.501 -9.994 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.217 -12.365 -6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.548 -12.338 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.772 -11.617 -3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.439 -11.663 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.659 -13.934 -5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.017 -14.158 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.621 -14.976 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.765 -13.665 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.356 -13.449 -2.915 1.00 0.00 H new ATOM 889 N ASN A 57 -6.607 -9.713 -7.634 1.00 0.00 N ATOM 890 CA ASN A 57 -5.845 -10.025 -8.866 1.00 0.00 C ATOM 891 C ASN A 57 -4.378 -10.366 -8.582 1.00 0.00 C ATOM 892 O ASN A 57 -3.733 -11.003 -9.409 1.00 0.00 O ATOM 893 CB ASN A 57 -5.893 -8.816 -9.815 1.00 0.00 C ATOM 894 CG ASN A 57 -6.777 -9.066 -11.013 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.533 -9.865 -11.893 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.879 -8.372 -11.097 1.00 0.00 N ATOM 0 H ASN A 57 -6.838 -8.723 -7.549 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.311 -10.901 -9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.258 -7.944 -9.272 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.884 -8.581 -10.153 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.509 -8.509 -11.888 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.111 -7.693 -10.372 1.00 0.00 H new ATOM 903 N LEU A 58 -3.841 -9.934 -7.443 1.00 0.00 N ATOM 904 CA LEU A 58 -2.505 -10.300 -7.001 1.00 0.00 C ATOM 905 C LEU A 58 -2.494 -11.677 -6.347 1.00 0.00 C ATOM 906 O LEU A 58 -3.517 -12.198 -5.915 1.00 0.00 O ATOM 907 CB LEU A 58 -1.998 -9.214 -6.035 1.00 0.00 C ATOM 908 CG LEU A 58 -1.207 -8.144 -6.785 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.743 -7.100 -5.789 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.051 -8.738 -7.420 1.00 0.00 C ATOM 0 H LEU A 58 -4.329 -9.314 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.839 -10.362 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.843 -8.755 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.369 -9.668 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.851 -7.722 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.176 -6.328 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.609 -6.650 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.110 -7.571 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.596 -7.956 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.686 -9.161 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.232 -9.521 -8.123 1.00 0.00 H new ATOM 922 N ASP A 59 -1.301 -12.241 -6.217 1.00 0.00 N ATOM 923 CA ASP A 59 -1.147 -13.558 -5.590 1.00 0.00 C ATOM 924 C ASP A 59 -1.303 -13.431 -4.067 1.00 0.00 C ATOM 925 O ASP A 59 -0.744 -12.510 -3.471 1.00 0.00 O ATOM 926 CB ASP A 59 0.255 -14.088 -5.911 1.00 0.00 C ATOM 927 CG ASP A 59 0.292 -15.525 -6.424 1.00 0.00 C ATOM 928 OD1 ASP A 59 -0.513 -15.897 -7.279 1.00 0.00 O ATOM 929 OD2 ASP A 59 1.230 -16.242 -5.958 1.00 0.00 O ATOM 0 H ASP A 59 -0.429 -11.816 -6.533 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.907 -14.240 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.712 -13.438 -6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.868 -14.022 -5.012 1.00 0.00 H new ATOM 934 N GLU A 60 -1.923 -14.399 -3.393 1.00 0.00 N ATOM 935 CA GLU A 60 -2.068 -14.379 -1.915 1.00 0.00 C ATOM 936 C GLU A 60 -0.746 -14.267 -1.156 1.00 0.00 C ATOM 937 O GLU A 60 -0.583 -13.492 -0.216 1.00 0.00 O ATOM 938 CB GLU A 60 -2.801 -15.631 -1.446 1.00 0.00 C ATOM 939 CG GLU A 60 -3.330 -15.480 -0.009 1.00 0.00 C ATOM 940 CD GLU A 60 -4.810 -15.891 0.051 1.00 0.00 C ATOM 941 OE1 GLU A 60 -5.674 -15.052 -0.292 1.00 0.00 O ATOM 942 OE2 GLU A 60 -5.066 -17.073 0.367 1.00 0.00 O ATOM 0 H GLU A 60 -2.339 -15.217 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.638 -13.478 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.633 -15.839 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.128 -16.487 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.744 -16.099 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.217 -14.448 0.323 1.00 0.00 H new ATOM 949 N LYS A 61 0.263 -14.971 -1.654 1.00 0.00 N ATOM 950 CA LYS A 61 1.624 -14.806 -1.129 1.00 0.00 C ATOM 951 C LYS A 61 2.218 -13.420 -1.361 1.00 0.00 C ATOM 952 O LYS A 61 3.090 -13.046 -0.597 1.00 0.00 O ATOM 953 CB LYS A 61 2.543 -15.880 -1.700 1.00 0.00 C ATOM 954 CG LYS A 61 3.124 -15.483 -3.071 1.00 0.00 C ATOM 955 CD LYS A 61 3.401 -16.717 -3.901 1.00 0.00 C ATOM 956 CE LYS A 61 4.014 -16.274 -5.233 1.00 0.00 C ATOM 957 NZ LYS A 61 3.997 -17.391 -6.201 1.00 0.00 N ATOM 0 H LYS A 61 0.174 -15.652 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 61 1.544 -14.918 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.359 -16.066 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.990 -16.814 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.424 -14.833 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.044 -14.915 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.082 -17.384 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.480 -17.273 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.457 -15.427 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.038 -15.936 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.656 -17.186 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.287 -18.268 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.036 -17.506 -6.582 1.00 0.00 H new ATOM 971 N CYS A 62 1.806 -12.685 -2.405 1.00 0.00 N ATOM 972 CA CYS A 62 2.145 -11.279 -2.678 1.00 0.00 C ATOM 973 C CYS A 62 1.280 -10.347 -1.789 1.00 0.00 C ATOM 974 O CYS A 62 1.663 -9.201 -1.554 1.00 0.00 O ATOM 975 CB CYS A 62 1.929 -10.945 -4.183 1.00 0.00 C ATOM 976 SG CYS A 62 2.750 -11.861 -5.552 1.00 0.00 S ATOM 0 H CYS A 62 1.194 -13.076 -3.121 1.00 0.00 H new ATOM 0 HA CYS A 62 3.197 -11.120 -2.441 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.857 -11.019 -4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.202 -9.897 -4.307 1.00 0.00 H new ATOM 981 N MET A 63 0.176 -10.803 -1.193 1.00 0.00 N ATOM 982 CA MET A 63 -0.689 -10.007 -0.311 1.00 0.00 C ATOM 983 C MET A 63 -0.154 -9.992 1.130 1.00 0.00 C ATOM 984 O MET A 63 -0.720 -10.553 2.045 1.00 0.00 O ATOM 985 CB MET A 63 -2.105 -10.560 -0.350 1.00 0.00 C ATOM 986 CG MET A 63 -2.725 -10.592 -1.755 1.00 0.00 C ATOM 987 SD MET A 63 -4.523 -10.717 -1.817 1.00 0.00 S ATOM 988 CE MET A 63 -4.811 -12.319 -1.010 1.00 0.00 C ATOM 0 H MET A 63 -0.152 -11.761 -1.312 1.00 0.00 H new ATOM 0 HA MET A 63 -0.695 -8.978 -0.669 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.100 -11.571 0.057 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.738 -9.957 0.301 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.424 -9.688 -2.285 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.302 -11.436 -2.299 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.820 -12.343 -0.598 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.699 -13.120 -1.741 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.087 -12.457 -0.207 1.00 0.00 H new ATOM 998 N CYS A 64 0.975 -9.322 1.340 1.00 0.00 N ATOM 999 CA CYS A 64 1.750 -9.213 2.610 1.00 0.00 C ATOM 1000 C CYS A 64 3.140 -8.654 2.327 1.00 0.00 C ATOM 1001 O CYS A 64 3.407 -7.516 2.721 1.00 0.00 O ATOM 1002 CB CYS A 64 1.843 -10.543 3.406 1.00 0.00 C ATOM 1003 SG CYS A 64 3.334 -10.849 4.400 1.00 0.00 S ATOM 0 H CYS A 64 1.419 -8.798 0.586 1.00 0.00 H new ATOM 0 HA CYS A 64 1.198 -8.525 3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.983 -10.592 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.743 -11.364 2.696 1.00 0.00 H new ATOM 1008 N PRO A 65 3.992 -9.386 1.578 1.00 0.00 N ATOM 1009 CA PRO A 65 5.330 -8.945 1.239 1.00 0.00 C ATOM 1010 C PRO A 65 5.300 -7.832 0.186 1.00 0.00 C ATOM 1011 O PRO A 65 6.167 -6.966 0.181 1.00 0.00 O ATOM 1012 CB PRO A 65 6.043 -10.163 0.656 1.00 0.00 C ATOM 1013 CG PRO A 65 4.952 -11.101 0.188 1.00 0.00 C ATOM 1014 CD PRO A 65 3.680 -10.614 0.859 1.00 0.00 C ATOM 0 HA PRO A 65 5.833 -8.548 2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.692 -9.876 -0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.674 -10.641 1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.856 -11.080 -0.898 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.174 -12.131 0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.903 -10.434 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.297 -11.370 1.544 1.00 0.00 H new ATOM 1022 N ALA A 66 4.320 -7.840 -0.735 1.00 0.00 N ATOM 1023 CA ALA A 66 4.149 -6.743 -1.681 1.00 0.00 C ATOM 1024 C ALA A 66 3.676 -5.484 -0.945 1.00 0.00 C ATOM 1025 O ALA A 66 4.325 -4.460 -1.063 1.00 0.00 O ATOM 1026 CB ALA A 66 3.211 -7.141 -2.835 1.00 0.00 C ATOM 0 H ALA A 66 3.641 -8.594 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 66 5.112 -6.515 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.104 -6.302 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.630 -7.995 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.233 -7.408 -2.434 1.00 0.00 H new ATOM 1032 N ILE A 67 2.609 -5.562 -0.137 1.00 0.00 N ATOM 1033 CA ILE A 67 2.118 -4.406 0.656 1.00 0.00 C ATOM 1034 C ILE A 67 3.254 -3.574 1.242 1.00 0.00 C ATOM 1035 O ILE A 67 3.306 -2.378 0.997 1.00 0.00 O ATOM 1036 CB ILE A 67 1.174 -4.840 1.788 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.082 -5.477 1.126 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.905 -3.696 2.815 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.424 -5.047 1.684 1.00 0.00 C ATOM 0 H ILE A 67 2.062 -6.413 -0.009 1.00 0.00 H new ATOM 0 HA ILE A 67 1.564 -3.787 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 67 1.632 -5.600 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.063 -5.244 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.005 -6.560 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.232 -4.056 3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.847 -3.383 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.448 -2.849 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.222 -5.556 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.478 -5.306 2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.538 -3.969 1.568 1.00 0.00 H new ATOM 1051 N MET A 68 4.178 -4.205 1.972 1.00 0.00 N ATOM 1052 CA MET A 68 5.402 -3.533 2.453 1.00 0.00 C ATOM 1053 C MET A 68 5.978 -2.584 1.412 1.00 0.00 C ATOM 1054 O MET A 68 6.005 -1.379 1.641 1.00 0.00 O ATOM 1055 CB MET A 68 6.460 -4.572 2.815 1.00 0.00 C ATOM 1056 CG MET A 68 6.142 -5.222 4.144 1.00 0.00 C ATOM 1057 SD MET A 68 7.192 -6.661 4.434 1.00 0.00 S ATOM 1058 CE MET A 68 7.305 -6.561 6.229 1.00 0.00 C ATOM 0 H MET A 68 4.107 -5.185 2.247 1.00 0.00 H new ATOM 0 HA MET A 68 5.126 -2.950 3.332 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.511 -5.333 2.036 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.440 -4.098 2.862 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.281 -4.499 4.948 1.00 0.00 H new ATOM 0 HG3 MET A 68 5.095 -5.523 4.163 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.923 -7.378 6.601 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.754 -5.609 6.513 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.307 -6.635 6.661 1.00 0.00 H new ATOM 1068 N MET A 69 6.370 -3.113 0.255 1.00 0.00 N ATOM 1069 CA MET A 69 6.872 -2.290 -0.828 1.00 0.00 C ATOM 1070 C MET A 69 5.889 -1.267 -1.385 1.00 0.00 C ATOM 1071 O MET A 69 6.332 -0.174 -1.691 1.00 0.00 O ATOM 1072 CB MET A 69 7.271 -3.188 -1.966 1.00 0.00 C ATOM 1073 CG MET A 69 8.588 -3.883 -1.740 1.00 0.00 C ATOM 1074 SD MET A 69 9.953 -2.713 -1.529 1.00 0.00 S ATOM 1075 CE MET A 69 11.307 -3.885 -1.581 1.00 0.00 C ATOM 0 H MET A 69 6.347 -4.112 0.049 1.00 0.00 H new ATOM 0 HA MET A 69 7.701 -1.726 -0.399 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.494 -3.937 -2.119 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.331 -2.599 -2.881 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.515 -4.517 -0.856 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.801 -4.538 -2.585 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.252 -3.354 -1.466 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.195 -4.606 -0.771 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.299 -4.408 -2.537 1.00 0.00 H new ATOM 1085 N MET A 70 4.596 -1.576 -1.486 1.00 0.00 N ATOM 1086 CA MET A 70 3.536 -0.641 -1.917 1.00 0.00 C ATOM 1087 C MET A 70 3.581 0.625 -1.067 1.00 0.00 C ATOM 1088 O MET A 70 3.142 1.682 -1.492 1.00 0.00 O ATOM 1089 CB MET A 70 2.154 -1.306 -1.795 1.00 0.00 C ATOM 1090 CG MET A 70 1.043 -0.455 -1.131 1.00 0.00 C ATOM 1091 SD MET A 70 0.180 -1.217 0.267 1.00 0.00 S ATOM 1092 CE MET A 70 -0.699 0.227 0.945 1.00 0.00 C ATOM 0 H MET A 70 4.239 -2.506 -1.266 1.00 0.00 H new ATOM 0 HA MET A 70 3.706 -0.377 -2.961 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.820 -1.587 -2.794 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.266 -2.228 -1.225 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.486 0.481 -0.791 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.305 -0.201 -1.892 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.840 0.097 2.018 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.113 1.128 0.763 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.671 0.322 0.461 1.00 0.00 H new ATOM 1102 N LEU A 71 3.977 0.520 0.199 1.00 0.00 N ATOM 1103 CA LEU A 71 4.077 1.689 1.086 1.00 0.00 C ATOM 1104 C LEU A 71 5.504 2.271 1.177 1.00 0.00 C ATOM 1105 O LEU A 71 5.824 2.989 2.126 1.00 0.00 O ATOM 1106 CB LEU A 71 3.526 1.367 2.466 1.00 0.00 C ATOM 1107 CG LEU A 71 2.064 0.903 2.469 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.879 -0.439 3.167 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.087 1.905 3.057 1.00 0.00 C ATOM 0 H LEU A 71 4.236 -0.363 0.640 1.00 0.00 H new ATOM 0 HA LEU A 71 3.464 2.470 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.142 0.590 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.615 2.252 3.096 1.00 0.00 H new ATOM 0 HG LEU A 71 1.828 0.800 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.826 -0.721 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.471 -1.199 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.207 -0.358 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.078 1.495 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.356 2.111 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.124 2.830 2.482 1.00 0.00 H new ATOM 1121 N ASN A 72 6.354 1.932 0.215 1.00 0.00 N ATOM 1122 CA ASN A 72 7.776 2.280 0.124 1.00 0.00 C ATOM 1123 C ASN A 72 8.144 2.847 -1.263 1.00 0.00 C ATOM 1124 O ASN A 72 9.323 3.066 -1.554 1.00 0.00 O ATOM 1125 CB ASN A 72 8.599 1.023 0.441 1.00 0.00 C ATOM 1126 CG ASN A 72 8.626 0.569 1.899 1.00 0.00 C ATOM 1127 OD1 ASN A 72 7.682 0.484 2.665 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.790 0.253 2.406 1.00 0.00 N ATOM 0 H ASN A 72 6.052 1.368 -0.579 1.00 0.00 H new ATOM 0 HA ASN A 72 7.999 3.067 0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.213 0.202 -0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.626 1.199 0.121 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.859 -0.040 3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.628 0.299 1.827 1.00 0.00 H new ATOM 1135 N GLU A 73 7.139 3.091 -2.102 1.00 0.00 N ATOM 1136 CA GLU A 73 7.282 3.579 -3.478 1.00 0.00 C ATOM 1137 C GLU A 73 7.428 5.119 -3.489 1.00 0.00 C ATOM 1138 O GLU A 73 7.217 5.747 -2.447 1.00 0.00 O ATOM 1139 CB GLU A 73 6.078 3.153 -4.347 1.00 0.00 C ATOM 1140 CG GLU A 73 5.239 2.010 -3.818 1.00 0.00 C ATOM 1141 CD GLU A 73 4.349 1.366 -4.889 1.00 0.00 C ATOM 1142 OE1 GLU A 73 4.912 1.004 -5.933 1.00 0.00 O ATOM 1143 OE2 GLU A 73 3.128 1.186 -4.644 1.00 0.00 O ATOM 0 H GLU A 73 6.165 2.950 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 73 8.182 3.134 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.430 4.019 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.449 2.876 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.897 1.250 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.611 2.375 -3.005 1.00 0.00 H new ATOM 1150 N PRO A 74 7.639 5.785 -4.642 1.00 0.00 N ATOM 1151 CA PRO A 74 7.694 7.245 -4.758 1.00 0.00 C ATOM 1152 C PRO A 74 6.372 7.976 -4.427 1.00 0.00 C ATOM 1153 O PRO A 74 6.185 9.130 -4.793 1.00 0.00 O ATOM 1154 CB PRO A 74 8.190 7.507 -6.181 1.00 0.00 C ATOM 1155 CG PRO A 74 7.877 6.254 -6.992 1.00 0.00 C ATOM 1156 CD PRO A 74 7.570 5.183 -5.967 1.00 0.00 C ATOM 0 HA PRO A 74 8.365 7.661 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.695 8.379 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.260 7.714 -6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.029 6.417 -7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.723 5.969 -7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.580 4.763 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.283 4.363 -6.049 1.00 0.00 H new ATOM 1164 N MET A 75 5.457 7.335 -3.706 1.00 0.00 N ATOM 1165 CA MET A 75 4.161 7.860 -3.278 1.00 0.00 C ATOM 1166 C MET A 75 3.798 7.447 -1.847 1.00 0.00 C ATOM 1167 O MET A 75 2.666 7.626 -1.424 1.00 0.00 O ATOM 1168 CB MET A 75 3.104 7.387 -4.273 1.00 0.00 C ATOM 1169 CG MET A 75 1.863 8.286 -4.186 1.00 0.00 C ATOM 1170 SD MET A 75 1.660 9.443 -5.561 1.00 0.00 S ATOM 1171 CE MET A 75 0.324 8.588 -6.411 1.00 0.00 C ATOM 0 H MET A 75 5.608 6.379 -3.385 1.00 0.00 H new ATOM 0 HA MET A 75 4.211 8.949 -3.265 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.509 7.409 -5.285 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.830 6.353 -4.062 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.977 7.653 -4.130 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.909 8.854 -3.257 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.044 9.147 -7.304 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.655 7.590 -6.697 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.537 8.509 -5.748 1.00 0.00 H new ATOM 1181 N TRP A 76 4.742 6.896 -1.082 1.00 0.00 N ATOM 1182 CA TRP A 76 4.521 6.405 0.272 1.00 0.00 C ATOM 1183 C TRP A 76 5.863 6.449 1.013 1.00 0.00 C ATOM 1184 O TRP A 76 6.570 5.458 1.119 1.00 0.00 O ATOM 1185 CB TRP A 76 3.886 5.001 0.235 1.00 0.00 C ATOM 1186 CG TRP A 76 2.513 4.938 -0.365 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.200 4.367 -1.551 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.299 5.641 0.054 1.00 0.00 C ATOM 1189 NE1 TRP A 76 0.862 4.553 -1.820 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.272 5.397 -0.903 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.008 6.595 1.051 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.979 6.037 -0.841 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.254 7.209 1.141 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.257 6.912 0.221 1.00 0.00 C ATOM 0 H TRP A 76 5.704 6.778 -1.398 1.00 0.00 H new ATOM 0 HA TRP A 76 3.813 7.033 0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.542 4.337 -0.328 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.839 4.614 1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 76 2.895 3.844 -2.191 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.369 4.120 -2.601 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.774 6.861 1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.721 5.856 -1.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.448 7.918 1.932 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.239 7.350 0.324 1.00 0.00 H new ATOM 1205 N ILE A 77 6.251 7.636 1.505 1.00 0.00 N ATOM 1206 CA ILE A 77 7.575 7.833 2.179 1.00 0.00 C ATOM 1207 C ILE A 77 7.442 8.083 3.679 1.00 0.00 C ATOM 1208 O ILE A 77 7.610 7.185 4.503 1.00 0.00 O ATOM 1209 CB ILE A 77 8.454 8.907 1.477 1.00 0.00 C ATOM 1210 CG1 ILE A 77 9.046 8.547 0.108 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.671 9.391 2.313 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.035 7.985 -0.856 1.00 0.00 C ATOM 0 H ILE A 77 5.680 8.480 1.457 1.00 0.00 H new ATOM 0 HA ILE A 77 8.106 6.887 2.072 1.00 0.00 H new ATOM 0 HB ILE A 77 7.694 9.679 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.497 9.438 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.846 7.820 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.227 10.138 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.320 9.830 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.321 8.544 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.524 7.753 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.601 7.076 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.247 8.718 -1.025 1.00 0.00 H new ATOM 1224 N ARG A 78 7.177 9.345 4.027 1.00 0.00 N ATOM 1225 CA ARG A 78 6.902 9.769 5.409 1.00 0.00 C ATOM 1226 C ARG A 78 5.452 9.947 5.723 1.00 0.00 C ATOM 1227 O ARG A 78 4.996 9.452 6.738 1.00 0.00 O ATOM 1228 CB ARG A 78 7.618 11.074 5.739 1.00 0.00 C ATOM 1229 CG ARG A 78 9.145 11.018 5.657 1.00 0.00 C ATOM 1230 CD ARG A 78 9.747 9.702 6.171 1.00 0.00 C ATOM 1231 NE ARG A 78 9.284 9.384 7.542 1.00 0.00 N ATOM 1232 CZ ARG A 78 9.765 8.479 8.365 1.00 0.00 C ATOM 1233 NH1 ARG A 78 10.745 7.712 7.996 1.00 0.00 N ATOM 1234 NH2 ARG A 78 9.258 8.297 9.543 1.00 0.00 N ATOM 0 H ARG A 78 7.146 10.111 3.354 1.00 0.00 H new ATOM 0 HA ARG A 78 7.277 8.949 6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.262 11.847 5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.335 11.380 6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.449 11.165 4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.561 11.846 6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.474 8.890 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.835 9.772 6.162 1.00 0.00 H new ATOM 0 HE ARG A 78 8.498 9.933 7.889 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.146 7.810 7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.114 7.011 8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.467 8.863 9.851 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.650 7.588 10.163 1.00 0.00 H new ATOM 1248 N MET A 79 4.729 10.545 4.801 1.00 0.00 N ATOM 1249 CA MET A 79 3.273 10.515 4.809 1.00 0.00 C ATOM 1250 C MET A 79 2.690 9.097 4.906 1.00 0.00 C ATOM 1251 O MET A 79 1.634 8.901 5.496 1.00 0.00 O ATOM 1252 CB MET A 79 2.780 11.194 3.546 1.00 0.00 C ATOM 1253 CG MET A 79 3.581 10.897 2.268 1.00 0.00 C ATOM 1254 SD MET A 79 2.712 11.247 0.729 1.00 0.00 S ATOM 1255 CE MET A 79 2.141 9.550 0.559 1.00 0.00 C ATOM 0 H MET A 79 5.129 11.068 4.022 1.00 0.00 H new ATOM 0 HA MET A 79 2.933 11.039 5.702 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.744 10.899 3.379 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.782 12.271 3.711 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.501 11.481 2.290 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.870 9.846 2.274 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.380 9.498 -0.220 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.980 8.909 0.289 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.716 9.213 1.504 1.00 0.00 H new ATOM 1265 N ARG A 80 3.401 8.073 4.420 1.00 0.00 N ATOM 1266 CA ARG A 80 2.971 6.689 4.631 1.00 0.00 C ATOM 1267 C ARG A 80 3.164 6.136 6.024 1.00 0.00 C ATOM 1268 O ARG A 80 2.611 5.096 6.313 1.00 0.00 O ATOM 1269 CB ARG A 80 3.714 5.793 3.668 1.00 0.00 C ATOM 1270 CG ARG A 80 5.132 5.426 4.172 1.00 0.00 C ATOM 1271 CD ARG A 80 5.190 4.061 4.836 1.00 0.00 C ATOM 1272 NE ARG A 80 6.575 3.598 4.933 1.00 0.00 N ATOM 1273 CZ ARG A 80 6.944 2.333 4.900 1.00 0.00 C ATOM 1274 NH1 ARG A 80 6.109 1.341 4.783 1.00 0.00 N ATOM 1275 NH2 ARG A 80 8.191 2.020 4.844 1.00 0.00 N ATOM 0 H ARG A 80 4.264 8.175 3.886 1.00 0.00 H new ATOM 0 HA ARG A 80 1.894 6.706 4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.140 4.880 3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.793 6.290 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.827 5.445 3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.467 6.183 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.748 4.115 5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.600 3.346 4.263 1.00 0.00 H new ATOM 0 HE ARG A 80 7.305 4.303 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.108 1.523 4.711 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.456 0.382 4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.900 2.753 4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.470 1.039 4.819 1.00 0.00 H new ATOM 1289 N ASP A 81 3.974 6.780 6.863 1.00 0.00 N ATOM 1290 CA ASP A 81 4.173 6.307 8.244 1.00 0.00 C ATOM 1291 C ASP A 81 2.855 6.123 9.013 1.00 0.00 C ATOM 1292 O ASP A 81 2.660 5.257 9.861 1.00 0.00 O ATOM 1293 CB ASP A 81 5.129 7.295 8.920 1.00 0.00 C ATOM 1294 CG ASP A 81 6.027 6.691 9.983 1.00 0.00 C ATOM 1295 OD1 ASP A 81 6.012 5.464 10.181 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.882 7.499 10.429 1.00 0.00 O ATOM 0 H ASP A 81 4.499 7.620 6.621 1.00 0.00 H new ATOM 0 HA ASP A 81 4.608 5.308 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.755 7.754 8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.542 8.094 9.373 1.00 0.00 H new ATOM 1301 N GLN A 82 1.882 6.919 8.599 1.00 0.00 N ATOM 1302 CA GLN A 82 0.541 6.940 9.133 1.00 0.00 C ATOM 1303 C GLN A 82 -0.379 6.014 8.329 1.00 0.00 C ATOM 1304 O GLN A 82 -1.196 5.294 8.906 1.00 0.00 O ATOM 1305 CB GLN A 82 0.061 8.380 9.071 1.00 0.00 C ATOM 1306 CG GLN A 82 0.942 9.408 9.819 1.00 0.00 C ATOM 1307 CD GLN A 82 1.631 10.392 8.871 1.00 0.00 C ATOM 1308 OE1 GLN A 82 1.225 11.515 8.638 1.00 0.00 O ATOM 1309 NE2 GLN A 82 2.729 10.020 8.269 1.00 0.00 N ATOM 0 H GLN A 82 2.018 7.596 7.848 1.00 0.00 H new ATOM 0 HA GLN A 82 0.527 6.578 10.161 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.006 8.678 8.025 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.948 8.426 9.480 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.326 9.962 10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.698 8.879 10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.109 9.088 8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.206 10.662 7.636 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.220 5.995 6.997 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.006 5.135 6.088 1.00 0.00 C ATOM 1320 C VAL A 83 -0.604 3.663 6.277 1.00 0.00 C ATOM 1321 O VAL A 83 -1.350 2.756 5.943 1.00 0.00 O ATOM 1322 CB VAL A 83 -0.900 5.557 4.605 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -0.849 7.076 4.358 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.208 4.837 3.859 1.00 0.00 C ATOM 0 H VAL A 83 0.462 6.579 6.513 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.055 5.260 6.358 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.851 5.230 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.775 7.268 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.756 7.539 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.020 7.498 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.230 5.177 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.166 5.053 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.025 3.763 3.884 1.00 0.00 H new ATOM 1334 N MET A 84 0.556 3.409 6.872 1.00 0.00 N ATOM 1335 CA MET A 84 1.128 2.097 7.191 1.00 0.00 C ATOM 1336 C MET A 84 0.280 1.392 8.225 1.00 0.00 C ATOM 1337 O MET A 84 -0.113 0.255 8.021 1.00 0.00 O ATOM 1338 CB MET A 84 2.539 2.253 7.768 1.00 0.00 C ATOM 1339 CG MET A 84 3.575 1.635 6.853 1.00 0.00 C ATOM 1340 SD MET A 84 5.128 1.284 7.737 1.00 0.00 S ATOM 1341 CE MET A 84 5.559 2.915 8.410 1.00 0.00 C ATOM 0 H MET A 84 1.170 4.168 7.168 1.00 0.00 H new ATOM 0 HA MET A 84 1.161 1.517 6.269 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.761 3.310 7.912 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.588 1.781 8.749 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.181 0.712 6.428 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.774 2.310 6.020 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.384 2.811 9.115 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.858 3.577 7.597 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.695 3.337 8.923 1.00 0.00 H new ATOM 1351 N SER A 85 -0.092 2.106 9.289 1.00 0.00 N ATOM 1352 CA SER A 85 -1.053 1.635 10.297 1.00 0.00 C ATOM 1353 C SER A 85 -2.514 1.748 9.856 1.00 0.00 C ATOM 1354 O SER A 85 -3.429 1.466 10.625 1.00 0.00 O ATOM 1355 CB SER A 85 -0.875 2.392 11.603 1.00 0.00 C ATOM 1356 OG SER A 85 -0.774 1.427 12.623 1.00 0.00 O ATOM 0 H SER A 85 0.269 3.041 9.480 1.00 0.00 H new ATOM 0 HA SER A 85 -0.835 0.576 10.433 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.019 3.014 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.720 3.057 11.782 1.00 0.00 H new ATOM 0 HG SER A 85 -0.656 1.875 13.487 1.00 0.00 H new ATOM 1362 N MET A 86 -2.757 2.094 8.596 1.00 0.00 N ATOM 1363 CA MET A 86 -4.091 2.128 7.985 1.00 0.00 C ATOM 1364 C MET A 86 -4.281 1.027 6.942 1.00 0.00 C ATOM 1365 O MET A 86 -5.156 0.162 7.057 1.00 0.00 O ATOM 1366 CB MET A 86 -4.278 3.518 7.404 1.00 0.00 C ATOM 1367 CG MET A 86 -4.637 4.565 8.458 1.00 0.00 C ATOM 1368 SD MET A 86 -6.218 4.177 9.256 1.00 0.00 S ATOM 1369 CE MET A 86 -6.887 5.822 9.579 1.00 0.00 C ATOM 0 H MET A 86 -2.016 2.366 7.951 1.00 0.00 H new ATOM 0 HA MET A 86 -4.856 1.929 8.735 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.361 3.820 6.898 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.063 3.487 6.649 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.849 4.613 9.210 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.693 5.549 7.992 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.857 5.731 10.067 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.204 6.371 10.227 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.004 6.359 8.637 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.349 0.941 6.003 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.225 -0.123 5.017 1.00 0.00 C ATOM 1381 C ALA A 87 -2.606 -1.410 5.615 1.00 0.00 C ATOM 1382 O ALA A 87 -2.099 -2.268 4.905 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.460 0.397 3.807 1.00 0.00 C ATOM 0 H ALA A 87 -2.621 1.649 5.904 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.222 -0.417 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.366 -0.398 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.999 1.238 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.467 0.724 4.117 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.700 -1.587 6.932 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.394 -2.857 7.607 1.00 0.00 C ATOM 1391 C HIS A 88 -3.618 -3.662 8.016 1.00 0.00 C ATOM 1392 O HIS A 88 -3.495 -4.844 8.268 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.529 -2.585 8.831 1.00 0.00 C ATOM 1394 CG HIS A 88 -2.263 -2.155 10.088 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -1.910 -2.525 11.372 1.00 0.00 N ATOM 1396 CD2 HIS A 88 -3.361 -1.339 10.185 1.00 0.00 C ATOM 1397 CE1 HIS A 88 -2.783 -1.949 12.227 1.00 0.00 C ATOM 1398 NE2 HIS A 88 -3.678 -1.229 11.524 1.00 0.00 N ATOM 0 H HIS A 88 -2.993 -0.848 7.571 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.864 -3.468 6.876 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.962 -3.488 9.057 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.806 -1.811 8.574 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.882 -0.869 9.364 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.766 -2.050 13.302 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.455 -0.695 11.913 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.777 -3.018 8.161 1.00 0.00 N ATOM 1408 CA ASN A 89 -6.079 -3.598 8.494 1.00 0.00 C ATOM 1409 C ASN A 89 -7.004 -3.553 7.300 1.00 0.00 C ATOM 1410 O ASN A 89 -7.729 -4.506 7.120 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.700 -2.916 9.714 1.00 0.00 C ATOM 1412 CG ASN A 89 -6.238 -3.523 11.026 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -6.944 -3.619 12.004 1.00 0.00 O ATOM 1414 ND2 ASN A 89 -5.002 -3.930 11.119 1.00 0.00 N ATOM 0 H ASN A 89 -4.835 -2.007 8.040 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.925 -4.644 8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.446 -1.856 9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.786 -2.985 9.650 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.657 -4.315 11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.381 -3.863 10.313 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.867 -2.575 6.406 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.603 -2.568 5.135 1.00 0.00 C ATOM 1423 C LEU A 90 -7.351 -3.828 4.296 1.00 0.00 C ATOM 1424 O LEU A 90 -8.310 -4.437 3.842 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.170 -1.326 4.355 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.941 -0.066 4.743 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.136 1.164 4.319 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.308 -0.091 4.074 1.00 0.00 C ATOM 0 H LEU A 90 -6.251 -1.772 6.536 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.671 -2.553 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.106 -1.156 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.303 -1.511 3.289 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.089 -0.024 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.681 2.068 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.169 1.157 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.984 1.145 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.863 0.806 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.183 -0.125 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.858 -0.973 4.403 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.094 -4.252 4.058 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.857 -5.493 3.354 1.00 0.00 C ATOM 1442 C PRO A 91 -6.136 -6.720 4.222 1.00 0.00 C ATOM 1443 O PRO A 91 -6.611 -7.731 3.731 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.393 -5.448 2.939 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.735 -4.471 3.882 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.846 -3.690 4.521 1.00 0.00 C ATOM 0 HA PRO A 91 -6.529 -5.586 2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.934 -6.434 3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.289 -5.124 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.145 -4.994 4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.054 -3.811 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.779 -3.747 5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.777 -2.636 4.253 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.857 -6.667 5.525 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.216 -7.787 6.422 1.00 0.00 C ATOM 1456 C ILE A 92 -7.713 -8.069 6.455 1.00 0.00 C ATOM 1457 O ILE A 92 -8.086 -9.230 6.402 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.701 -7.526 7.845 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.184 -7.835 7.847 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.534 -8.237 8.944 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.574 -8.228 9.198 1.00 0.00 C ATOM 0 H ILE A 92 -5.394 -5.882 5.984 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.732 -8.674 6.013 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.837 -6.480 8.119 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.998 -8.643 7.139 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.655 -6.957 7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.114 -8.009 9.924 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.566 -7.888 8.901 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.508 -9.314 8.780 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.508 -8.420 9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.716 -7.416 9.911 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.064 -9.128 9.570 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.546 -7.035 6.527 1.00 0.00 N ATOM 1474 CA GLU A 93 -10.022 -7.097 6.525 1.00 0.00 C ATOM 1475 C GLU A 93 -10.578 -7.687 5.229 1.00 0.00 C ATOM 1476 O GLU A 93 -11.665 -8.253 5.213 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.618 -5.689 6.735 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.696 -5.275 8.218 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.144 -4.973 8.631 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.588 -3.834 8.348 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.776 -5.865 9.235 1.00 0.00 O ATOM 0 H GLU A 93 -8.202 -6.077 6.592 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.310 -7.754 7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.013 -4.962 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.618 -5.657 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.295 -6.073 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.075 -4.395 8.387 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.797 -7.643 4.151 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.107 -8.349 2.907 1.00 0.00 C ATOM 1490 C CYS A 94 -9.478 -9.761 2.819 1.00 0.00 C ATOM 1491 O CYS A 94 -9.741 -10.480 1.852 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.662 -7.451 1.752 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.916 -6.276 1.167 1.00 0.00 S ATOM 0 H CYS A 94 -8.926 -7.114 4.115 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.180 -8.535 2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.780 -6.892 2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.359 -8.082 0.917 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.655 -10.155 3.801 1.00 0.00 N ATOM 1499 CA ASN A 95 -7.910 -11.426 3.904 1.00 0.00 C ATOM 1500 C ASN A 95 -6.656 -11.447 3.028 1.00 0.00 C ATOM 1501 O ASN A 95 -6.116 -12.493 2.697 1.00 0.00 O ATOM 1502 CB ASN A 95 -8.837 -12.635 3.688 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.411 -13.894 4.433 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.177 -14.508 5.157 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.200 -14.353 4.257 1.00 0.00 N ATOM 0 H ASN A 95 -8.477 -9.553 4.605 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.536 -11.506 4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.845 -12.365 4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.883 -12.856 2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.908 -15.213 4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.547 -13.852 3.655 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.156 -10.273 2.669 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.014 -10.163 1.768 1.00 0.00 C ATOM 1514 C LEU A 96 -3.794 -10.608 2.569 1.00 0.00 C ATOM 1515 O LEU A 96 -3.259 -11.695 2.389 1.00 0.00 O ATOM 1516 CB LEU A 96 -4.983 -8.758 1.128 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.403 -8.346 0.689 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.294 -6.914 0.272 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -7.004 -9.116 -0.492 1.00 0.00 C ATOM 0 H LEU A 96 -6.525 -9.378 2.989 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.058 -10.814 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.589 -8.033 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.313 -8.756 0.268 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.065 -8.553 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.270 -6.554 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.949 -6.315 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.583 -6.827 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.003 -8.735 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.372 -8.986 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.065 -10.175 -0.242 1.00 0.00 H new ATOM 1531 N MET A 97 -3.493 -9.800 3.589 1.00 0.00 N ATOM 1532 CA MET A 97 -2.329 -9.960 4.458 1.00 0.00 C ATOM 1533 C MET A 97 -2.650 -10.409 5.887 1.00 0.00 C ATOM 1534 O MET A 97 -1.829 -10.227 6.780 1.00 0.00 O ATOM 1535 CB MET A 97 -1.423 -8.727 4.358 1.00 0.00 C ATOM 1536 CG MET A 97 -1.954 -7.529 5.123 1.00 0.00 C ATOM 1537 SD MET A 97 -0.821 -6.124 5.189 1.00 0.00 S ATOM 1538 CE MET A 97 -0.163 -6.407 6.845 1.00 0.00 C ATOM 0 H MET A 97 -4.069 -8.996 3.838 1.00 0.00 H new ATOM 0 HA MET A 97 -1.760 -10.811 4.084 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.433 -8.981 4.736 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.304 -8.456 3.309 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.888 -7.205 4.664 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.189 -7.839 6.141 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.568 -5.634 7.083 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.976 -6.374 7.570 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.318 -7.385 6.883 1.00 0.00 H new ATOM 1548 N SER A 98 -3.835 -10.994 6.103 1.00 0.00 N ATOM 1549 CA SER A 98 -4.405 -11.327 7.428 1.00 0.00 C ATOM 1550 C SER A 98 -3.372 -11.829 8.425 1.00 0.00 C ATOM 1551 O SER A 98 -3.068 -11.212 9.448 1.00 0.00 O ATOM 1552 CB SER A 98 -5.568 -12.318 7.292 1.00 0.00 C ATOM 1553 OG SER A 98 -6.464 -12.019 8.329 1.00 0.00 O ATOM 0 H SER A 98 -4.451 -11.261 5.335 1.00 0.00 H new ATOM 0 HA SER A 98 -4.786 -10.391 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.051 -12.219 6.320 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.214 -13.346 7.369 1.00 0.00 H new ATOM 0 HG SER A 98 -7.231 -12.628 8.284 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.834 -12.985 8.090 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.674 -13.522 8.763 1.00 0.00 C ATOM 1561 C GLN A 99 -0.992 -14.593 7.885 1.00 0.00 C ATOM 1562 O GLN A 99 -0.921 -15.746 8.304 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.109 -13.969 10.193 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.261 -13.313 11.289 1.00 0.00 C ATOM 1565 CD GLN A 99 0.204 -13.713 11.248 1.00 0.00 C ATOM 1566 OE1 GLN A 99 0.834 -13.841 10.217 1.00 0.00 O ATOM 1567 NE2 GLN A 99 0.838 -13.898 12.375 1.00 0.00 N ATOM 0 H GLN A 99 -3.192 -13.578 7.341 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.891 -12.778 8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.158 -13.716 10.347 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.028 -15.053 10.273 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.336 -12.230 11.194 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.674 -13.577 12.263 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.342 -13.799 13.261 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.829 -14.141 12.369 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.588 -14.261 6.632 1.00 0.00 N ATOM 1577 CA PRO A 100 0.035 -15.215 5.733 1.00 0.00 C ATOM 1578 C PRO A 100 1.496 -15.426 6.130 1.00 0.00 C ATOM 1579 O PRO A 100 1.874 -16.495 6.590 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.111 -14.650 4.318 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.327 -13.162 4.503 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.712 -12.974 5.965 1.00 0.00 C ATOM 0 HA PRO A 100 -0.440 -16.195 5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.780 -14.847 3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.951 -15.108 3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.577 -12.603 4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.113 -12.796 3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.064 -12.236 6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.733 -12.600 6.045 1.00 0.00 H new ATOM 1590 N CYS A 101 2.331 -14.403 5.941 1.00 0.00 N ATOM 1591 CA CYS A 101 3.742 -14.465 6.300 1.00 0.00 C ATOM 1592 C CYS A 101 3.895 -14.333 7.824 1.00 0.00 C ATOM 1593 O CYS A 101 3.453 -13.343 8.402 1.00 0.00 O ATOM 1594 CB CYS A 101 4.506 -13.346 5.579 1.00 0.00 C ATOM 1595 SG CYS A 101 3.901 -12.775 3.968 1.00 0.00 S ATOM 0 H CYS A 101 2.046 -13.512 5.535 1.00 0.00 H new ATOM 0 HA CYS A 101 4.157 -15.425 5.992 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.535 -12.484 6.245 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.535 -13.681 5.446 1.00 0.00 H new