USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 537 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 Single : A 14 GLN : amide:sc= -0.666 X(o=-0.67,f=-0.41) USER MOD Single : A 15 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.36) USER MOD Single : A 20 ASN : amide:sc= 0.0978 K(o=0.098,f=-0.55) USER MOD Single : A 21 ASN : amide:sc= -0.0859 X(o=-0.086,f=-0.012) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.31! C(o=-2.3!,f=-12!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 89:sc= -0.101 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 73:sc= 0.0729 USER MOD Single : A 56 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.38) USER MOD Single : A 64 GLN : amide:sc= 0.238 X(o=0.24,f=-0.057) USER MOD Single : A 66 MET CE :methyl -116:sc= 0 (180deg=-1.1) USER MOD Single : A 86 MET CE :methyl 143:sc= -2.11 (180deg=-5.51!) USER MOD Single : A 87 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.0066) USER MOD Single : A 89 MET CE :methyl 144:sc= -2.36 (180deg=-4.74!) USER MOD Single : A 90 GLN : amide:sc= -0.465 X(o=-0.46,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0748) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -5.984 13.631 1.135 1.00 0.00 N ATOM 127 CA VAL A 9 -5.488 12.274 1.327 1.00 0.00 C ATOM 128 C VAL A 9 -5.334 11.949 2.808 1.00 0.00 C ATOM 129 O VAL A 9 -5.211 12.844 3.645 1.00 0.00 O ATOM 130 CB VAL A 9 -4.127 12.059 0.628 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.615 10.644 0.871 1.00 0.00 C ATOM 132 CG2 VAL A 9 -4.237 12.349 -0.862 1.00 0.00 C ATOM 0 HA VAL A 9 -6.227 11.608 0.881 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.407 12.757 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.656 10.513 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.491 10.481 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.332 9.925 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.268 12.192 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.972 11.680 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.549 13.383 -1.009 1.00 0.00 H new ATOM 142 N GLY A 10 -5.329 10.659 3.115 1.00 0.00 N ATOM 143 CA GLY A 10 -5.146 10.222 4.482 1.00 0.00 C ATOM 144 C GLY A 10 -3.679 10.040 4.811 1.00 0.00 C ATOM 145 O GLY A 10 -3.192 10.540 5.826 1.00 0.00 O ATOM 0 H GLY A 10 -5.449 9.906 2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.585 10.953 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.675 9.282 4.639 1.00 0.00 H new ATOM 149 N TRP A 11 -2.963 9.352 3.924 1.00 0.00 N ATOM 150 CA TRP A 11 -1.533 9.135 4.093 1.00 0.00 C ATOM 151 C TRP A 11 -0.776 10.453 3.931 1.00 0.00 C ATOM 152 O TRP A 11 -0.886 11.124 2.903 1.00 0.00 O ATOM 153 CB TRP A 11 -1.035 8.076 3.087 1.00 0.00 C ATOM 154 CG TRP A 11 0.437 8.133 2.793 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.419 7.378 3.368 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.091 8.988 1.847 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.642 7.713 2.841 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.467 8.700 1.904 1.00 0.00 C ATOM 159 CE3 TRP A 11 0.645 9.970 0.958 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.401 9.358 1.106 1.00 0.00 C ATOM 161 CZ3 TRP A 11 1.572 10.623 0.168 1.00 0.00 C ATOM 162 CH2 TRP A 11 2.935 10.313 0.246 1.00 0.00 C ATOM 0 H TRP A 11 -3.354 8.935 3.079 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.344 8.761 5.099 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.276 7.086 3.473 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.583 8.196 2.153 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.257 6.627 4.127 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.535 7.296 3.103 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.405 10.214 0.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.453 9.122 1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.239 11.385 -0.521 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.634 10.840 -0.387 1.00 0.00 H new ATOM 173 N ASP A 12 -0.013 10.817 4.955 1.00 0.00 N ATOM 174 CA ASP A 12 0.761 12.054 4.933 1.00 0.00 C ATOM 175 C ASP A 12 2.244 11.768 4.694 1.00 0.00 C ATOM 176 O ASP A 12 2.850 10.976 5.416 1.00 0.00 O ATOM 177 CB ASP A 12 0.585 12.809 6.252 1.00 0.00 C ATOM 178 CG ASP A 12 -0.632 13.713 6.246 1.00 0.00 C ATOM 179 OD1 ASP A 12 -1.763 13.186 6.283 1.00 0.00 O ATOM 180 OD2 ASP A 12 -0.453 14.948 6.207 1.00 0.00 O ATOM 0 H ASP A 12 0.087 10.273 5.812 1.00 0.00 H new ATOM 0 HA ASP A 12 0.392 12.670 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.497 12.092 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.476 13.406 6.447 1.00 0.00 H new ATOM 185 N PRO A 13 2.857 12.413 3.683 1.00 0.00 N ATOM 186 CA PRO A 13 4.278 12.215 3.369 1.00 0.00 C ATOM 187 C PRO A 13 5.186 12.604 4.532 1.00 0.00 C ATOM 188 O PRO A 13 5.802 13.670 4.521 1.00 0.00 O ATOM 189 CB PRO A 13 4.525 13.143 2.174 1.00 0.00 C ATOM 190 CG PRO A 13 3.175 13.421 1.608 1.00 0.00 C ATOM 191 CD PRO A 13 2.222 13.376 2.767 1.00 0.00 C ATOM 0 HA PRO A 13 4.500 11.168 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.018 14.064 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.172 12.670 1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.150 14.395 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.908 12.680 0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.104 14.356 3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.229 13.047 2.460 1.00 0.00 H new ATOM 199 N GLN A 14 5.267 11.733 5.533 1.00 0.00 N ATOM 200 CA GLN A 14 6.102 11.987 6.700 1.00 0.00 C ATOM 201 C GLN A 14 5.914 10.898 7.751 1.00 0.00 C ATOM 202 O GLN A 14 6.861 10.201 8.115 1.00 0.00 O ATOM 203 CB GLN A 14 5.771 13.354 7.302 1.00 0.00 C ATOM 204 CG GLN A 14 6.794 14.429 6.968 1.00 0.00 C ATOM 205 CD GLN A 14 6.151 15.754 6.609 1.00 0.00 C ATOM 206 OE1 GLN A 14 5.576 16.430 7.463 1.00 0.00 O ATOM 207 NE2 GLN A 14 6.243 16.132 5.340 1.00 0.00 N ATOM 0 H GLN A 14 4.765 10.846 5.559 1.00 0.00 H new ATOM 0 HA GLN A 14 7.143 11.981 6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.792 13.672 6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.698 13.257 8.385 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.458 14.571 7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.412 14.092 6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.729 15.541 4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.828 17.014 5.039 1.00 0.00 H new ATOM 216 N ASN A 15 4.685 10.759 8.237 1.00 0.00 N ATOM 217 CA ASN A 15 4.372 9.754 9.246 1.00 0.00 C ATOM 218 C ASN A 15 4.261 8.369 8.618 1.00 0.00 C ATOM 219 O ASN A 15 4.846 7.405 9.110 1.00 0.00 O ATOM 220 CB ASN A 15 3.066 10.106 9.960 1.00 0.00 C ATOM 221 CG ASN A 15 2.943 11.590 10.248 1.00 0.00 C ATOM 222 OD1 ASN A 15 2.410 12.349 9.438 1.00 0.00 O ATOM 223 ND2 ASN A 15 3.437 12.010 11.405 1.00 0.00 N ATOM 0 H ASN A 15 3.890 11.329 7.949 1.00 0.00 H new ATOM 0 HA ASN A 15 5.184 9.741 9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.223 9.787 9.347 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.007 9.551 10.896 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.384 12.998 11.654 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.870 11.345 12.046 1.00 0.00 H new ATOM 230 N GLY A 16 3.504 8.279 7.529 1.00 0.00 N ATOM 231 CA GLY A 16 3.326 7.009 6.852 1.00 0.00 C ATOM 232 C GLY A 16 1.894 6.516 6.917 1.00 0.00 C ATOM 233 O GLY A 16 0.956 7.296 6.758 1.00 0.00 O ATOM 0 H GLY A 16 3.011 9.064 7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.625 7.111 5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.984 6.265 7.301 1.00 0.00 H new ATOM 237 N PHE A 17 1.726 5.219 7.152 1.00 0.00 N ATOM 238 CA PHE A 17 0.397 4.627 7.240 1.00 0.00 C ATOM 239 C PHE A 17 -0.320 5.087 8.505 1.00 0.00 C ATOM 240 O PHE A 17 0.269 5.751 9.358 1.00 0.00 O ATOM 241 CB PHE A 17 0.496 3.099 7.229 1.00 0.00 C ATOM 242 CG PHE A 17 0.429 2.499 5.854 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.793 2.195 5.275 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.589 2.231 5.145 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.857 1.641 4.011 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.531 1.675 3.881 1.00 0.00 C ATOM 247 CZ PHE A 17 0.307 1.376 3.314 1.00 0.00 C ATOM 0 H PHE A 17 2.492 4.559 7.285 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.178 4.956 6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.433 2.801 7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.311 2.687 7.835 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.705 2.393 5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.549 2.459 5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.816 1.415 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.442 1.474 3.337 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.260 0.936 2.329 1.00 0.00 H new ATOM 257 N ASP A 18 -1.593 4.724 8.624 1.00 0.00 N ATOM 258 CA ASP A 18 -2.385 5.092 9.790 1.00 0.00 C ATOM 259 C ASP A 18 -3.084 3.868 10.376 1.00 0.00 C ATOM 260 O ASP A 18 -4.311 3.775 10.376 1.00 0.00 O ATOM 261 CB ASP A 18 -3.414 6.165 9.417 1.00 0.00 C ATOM 262 CG ASP A 18 -3.136 7.491 10.100 1.00 0.00 C ATOM 263 OD1 ASP A 18 -3.027 7.506 11.343 1.00 0.00 O ATOM 264 OD2 ASP A 18 -3.029 8.513 9.390 1.00 0.00 O ATOM 0 H ASP A 18 -2.097 4.176 7.927 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.714 5.498 10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.411 6.308 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.411 5.820 9.691 1.00 0.00 H new ATOM 269 N VAL A 19 -2.289 2.925 10.872 1.00 0.00 N ATOM 270 CA VAL A 19 -2.824 1.705 11.460 1.00 0.00 C ATOM 271 C VAL A 19 -3.586 2.004 12.746 1.00 0.00 C ATOM 272 O VAL A 19 -4.526 1.293 13.103 1.00 0.00 O ATOM 273 CB VAL A 19 -1.707 0.689 11.760 1.00 0.00 C ATOM 274 CG1 VAL A 19 -1.024 0.253 10.473 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.699 1.277 12.736 1.00 0.00 C ATOM 0 H VAL A 19 -1.271 2.984 10.878 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.508 1.274 10.729 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.154 -0.191 12.223 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.237 -0.465 10.704 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.756 -0.211 9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.589 1.122 9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.083 0.545 12.936 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.255 2.174 12.304 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.202 1.534 13.668 1.00 0.00 H new ATOM 285 N ASN A 20 -3.174 3.059 13.439 1.00 0.00 N ATOM 286 CA ASN A 20 -3.820 3.456 14.684 1.00 0.00 C ATOM 287 C ASN A 20 -5.306 3.714 14.462 1.00 0.00 C ATOM 288 O ASN A 20 -6.130 3.461 15.341 1.00 0.00 O ATOM 289 CB ASN A 20 -3.151 4.709 15.254 1.00 0.00 C ATOM 290 CG ASN A 20 -2.881 5.754 14.189 1.00 0.00 C ATOM 291 OD1 ASN A 20 -1.790 5.813 13.622 1.00 0.00 O ATOM 292 ND2 ASN A 20 -3.879 6.585 13.912 1.00 0.00 N ATOM 0 H ASN A 20 -2.395 3.655 13.160 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.712 2.640 15.399 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.788 5.138 16.027 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.212 4.431 15.733 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.758 7.309 13.204 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.767 6.499 14.407 1.00 0.00 H new ATOM 299 N ASN A 21 -5.642 4.214 13.277 1.00 0.00 N ATOM 300 CA ASN A 21 -7.028 4.499 12.930 1.00 0.00 C ATOM 301 C ASN A 21 -7.339 4.023 11.515 1.00 0.00 C ATOM 302 O ASN A 21 -8.054 4.689 10.767 1.00 0.00 O ATOM 303 CB ASN A 21 -7.310 5.998 13.049 1.00 0.00 C ATOM 304 CG ASN A 21 -8.783 6.294 13.250 1.00 0.00 C ATOM 305 OD1 ASN A 21 -9.404 6.989 12.445 1.00 0.00 O ATOM 306 ND2 ASN A 21 -9.352 5.765 14.327 1.00 0.00 N ATOM 0 H ASN A 21 -4.971 4.430 12.540 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.670 3.961 13.628 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.743 6.407 13.885 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.960 6.504 12.149 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.341 5.929 14.513 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.800 5.195 14.968 1.00 0.00 H new ATOM 313 N LEU A 22 -6.788 2.868 11.154 1.00 0.00 N ATOM 314 CA LEU A 22 -6.999 2.302 9.827 1.00 0.00 C ATOM 315 C LEU A 22 -8.419 1.763 9.684 1.00 0.00 C ATOM 316 O LEU A 22 -8.974 1.190 10.620 1.00 0.00 O ATOM 317 CB LEU A 22 -5.986 1.184 9.564 1.00 0.00 C ATOM 318 CG LEU A 22 -4.987 1.467 8.440 1.00 0.00 C ATOM 319 CD1 LEU A 22 -4.045 0.287 8.256 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.717 1.775 7.142 1.00 0.00 C ATOM 0 H LEU A 22 -6.192 2.306 11.762 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.857 3.094 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.432 0.993 10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.530 0.270 9.325 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.396 2.340 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.341 0.505 7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.496 0.112 9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.621 -0.603 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.990 1.974 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.334 0.922 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.351 2.651 7.280 1.00 0.00 H new ATOM 332 N ASP A 23 -8.998 1.949 8.502 1.00 0.00 N ATOM 333 CA ASP A 23 -10.351 1.478 8.232 1.00 0.00 C ATOM 334 C ASP A 23 -10.380 -0.042 8.101 1.00 0.00 C ATOM 335 O ASP A 23 -9.376 -0.663 7.752 1.00 0.00 O ATOM 336 CB ASP A 23 -10.892 2.121 6.954 1.00 0.00 C ATOM 337 CG ASP A 23 -12.041 3.072 7.225 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.141 3.572 8.365 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.840 3.317 6.296 1.00 0.00 O ATOM 0 H ASP A 23 -8.551 2.422 7.717 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.984 1.766 9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.088 2.661 6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.225 1.340 6.271 1.00 0.00 H new ATOM 344 N PRO A 24 -11.537 -0.664 8.386 1.00 0.00 N ATOM 345 CA PRO A 24 -11.694 -2.119 8.294 1.00 0.00 C ATOM 346 C PRO A 24 -11.674 -2.611 6.852 1.00 0.00 C ATOM 347 O PRO A 24 -11.114 -3.666 6.553 1.00 0.00 O ATOM 348 CB PRO A 24 -13.059 -2.368 8.930 1.00 0.00 C ATOM 349 CG PRO A 24 -13.808 -1.097 8.727 1.00 0.00 C ATOM 350 CD PRO A 24 -12.784 0.001 8.805 1.00 0.00 C ATOM 0 HA PRO A 24 -10.880 -2.652 8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.569 -3.208 8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.965 -2.607 9.989 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.314 -1.092 7.762 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.576 -0.970 9.490 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.036 0.833 8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.704 0.405 9.814 1.00 0.00 H new ATOM 358 N ASP A 25 -12.284 -1.838 5.959 1.00 0.00 N ATOM 359 CA ASP A 25 -12.323 -2.193 4.545 1.00 0.00 C ATOM 360 C ASP A 25 -10.920 -2.176 3.947 1.00 0.00 C ATOM 361 O ASP A 25 -10.529 -3.097 3.232 1.00 0.00 O ATOM 362 CB ASP A 25 -13.231 -1.230 3.780 1.00 0.00 C ATOM 363 CG ASP A 25 -14.533 -1.879 3.352 1.00 0.00 C ATOM 364 OD1 ASP A 25 -15.483 -1.896 4.163 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.602 -2.371 2.206 1.00 0.00 O ATOM 0 H ASP A 25 -12.757 -0.964 6.189 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.725 -3.202 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.448 -0.365 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.705 -0.862 2.899 1.00 0.00 H new ATOM 370 N LEU A 26 -10.165 -1.125 4.252 1.00 0.00 N ATOM 371 CA LEU A 26 -8.800 -0.996 3.759 1.00 0.00 C ATOM 372 C LEU A 26 -7.867 -1.930 4.521 1.00 0.00 C ATOM 373 O LEU A 26 -7.044 -2.625 3.924 1.00 0.00 O ATOM 374 CB LEU A 26 -8.318 0.451 3.890 1.00 0.00 C ATOM 375 CG LEU A 26 -7.000 0.763 3.178 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.837 0.071 3.876 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.071 0.347 1.718 1.00 0.00 C ATOM 0 H LEU A 26 -10.476 -0.351 4.838 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.789 -1.274 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.091 1.112 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.206 0.686 4.948 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.833 1.839 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.909 0.305 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.772 0.419 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.997 -1.007 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.125 0.577 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.262 -0.724 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.877 0.890 1.224 1.00 0.00 H new ATOM 389 N ARG A 27 -8.007 -1.950 5.844 1.00 0.00 N ATOM 390 CA ARG A 27 -7.185 -2.813 6.682 1.00 0.00 C ATOM 391 C ARG A 27 -7.241 -4.253 6.187 1.00 0.00 C ATOM 392 O ARG A 27 -6.260 -4.991 6.273 1.00 0.00 O ATOM 393 CB ARG A 27 -7.644 -2.745 8.138 1.00 0.00 C ATOM 394 CG ARG A 27 -6.811 -3.607 9.071 1.00 0.00 C ATOM 395 CD ARG A 27 -7.274 -3.489 10.514 1.00 0.00 C ATOM 396 NE ARG A 27 -6.238 -3.911 11.453 1.00 0.00 N ATOM 397 CZ ARG A 27 -6.210 -3.547 12.731 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.157 -2.759 13.220 1.00 0.00 N ATOM 399 NH2 ARG A 27 -5.233 -3.973 13.521 1.00 0.00 N ATOM 0 H ARG A 27 -8.680 -1.380 6.356 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.155 -2.461 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.602 -1.710 8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.686 -3.059 8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.871 -4.648 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.764 -3.312 9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.554 -2.456 10.722 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.167 -4.097 10.660 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.495 -4.519 11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.910 -2.430 12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.133 -2.481 14.201 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.503 -4.580 13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.212 -3.694 14.502 1.00 0.00 H new ATOM 413 N SER A 28 -8.399 -4.645 5.663 1.00 0.00 N ATOM 414 CA SER A 28 -8.582 -5.990 5.135 1.00 0.00 C ATOM 415 C SER A 28 -7.903 -6.127 3.777 1.00 0.00 C ATOM 416 O SER A 28 -7.508 -7.222 3.376 1.00 0.00 O ATOM 417 CB SER A 28 -10.072 -6.315 5.009 1.00 0.00 C ATOM 418 OG SER A 28 -10.492 -7.191 6.040 1.00 0.00 O ATOM 0 H SER A 28 -9.224 -4.049 5.594 1.00 0.00 H new ATOM 0 HA SER A 28 -8.125 -6.696 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.653 -5.394 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.267 -6.771 4.038 1.00 0.00 H new ATOM 0 HG SER A 28 -11.448 -7.382 5.938 1.00 0.00 H new ATOM 424 N LEU A 29 -7.767 -5.005 3.077 1.00 0.00 N ATOM 425 CA LEU A 29 -7.129 -4.993 1.768 1.00 0.00 C ATOM 426 C LEU A 29 -5.681 -5.462 1.867 1.00 0.00 C ATOM 427 O LEU A 29 -5.116 -5.977 0.902 1.00 0.00 O ATOM 428 CB LEU A 29 -7.186 -3.587 1.167 1.00 0.00 C ATOM 429 CG LEU A 29 -7.261 -3.540 -0.359 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.583 -2.130 -0.829 1.00 0.00 C ATOM 431 CD2 LEU A 29 -5.957 -4.028 -0.970 1.00 0.00 C ATOM 0 H LEU A 29 -8.091 -4.092 3.396 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.669 -5.680 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.054 -3.069 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.304 -3.034 1.490 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.061 -4.202 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.633 -2.112 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.543 -1.819 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.804 -1.447 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.027 -3.988 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.138 -3.391 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.770 -5.055 -0.656 1.00 0.00 H new ATOM 443 N PHE A 30 -5.086 -5.287 3.044 1.00 0.00 N ATOM 444 CA PHE A 30 -3.709 -5.706 3.275 1.00 0.00 C ATOM 445 C PHE A 30 -3.663 -7.129 3.818 1.00 0.00 C ATOM 446 O PHE A 30 -2.894 -7.963 3.340 1.00 0.00 O ATOM 447 CB PHE A 30 -3.018 -4.752 4.253 1.00 0.00 C ATOM 448 CG PHE A 30 -2.607 -3.446 3.635 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.653 -3.410 2.630 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.170 -2.255 4.063 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.272 -2.208 2.061 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.793 -1.051 3.499 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.843 -1.028 2.496 1.00 0.00 C ATOM 0 H PHE A 30 -5.537 -4.858 3.852 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.181 -5.679 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.690 -4.553 5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.136 -5.243 4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.202 -4.330 2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.913 -2.267 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.529 -2.192 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.240 -0.130 3.842 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.547 -0.089 2.053 1.00 0.00 H new ATOM 463 N SER A 31 -4.497 -7.402 4.817 1.00 0.00 N ATOM 464 CA SER A 31 -4.560 -8.727 5.422 1.00 0.00 C ATOM 465 C SER A 31 -4.759 -9.800 4.356 1.00 0.00 C ATOM 466 O SER A 31 -4.380 -10.955 4.546 1.00 0.00 O ATOM 467 CB SER A 31 -5.698 -8.789 6.443 1.00 0.00 C ATOM 468 OG SER A 31 -5.689 -10.021 7.144 1.00 0.00 O ATOM 0 H SER A 31 -5.139 -6.722 5.225 1.00 0.00 H new ATOM 0 HA SER A 31 -3.614 -8.915 5.930 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.602 -7.965 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.654 -8.663 5.935 1.00 0.00 H new ATOM 0 HG SER A 31 -6.425 -10.035 7.791 1.00 0.00 H new ATOM 474 N ARG A 32 -5.353 -9.406 3.234 1.00 0.00 N ATOM 475 CA ARG A 32 -5.599 -10.332 2.134 1.00 0.00 C ATOM 476 C ARG A 32 -4.369 -10.452 1.240 1.00 0.00 C ATOM 477 O ARG A 32 -4.019 -11.543 0.791 1.00 0.00 O ATOM 478 CB ARG A 32 -6.800 -9.867 1.308 1.00 0.00 C ATOM 479 CG ARG A 32 -8.133 -10.042 2.017 1.00 0.00 C ATOM 480 CD ARG A 32 -9.299 -9.725 1.094 1.00 0.00 C ATOM 481 NE ARG A 32 -10.460 -10.566 1.370 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.340 -10.315 2.334 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.192 -9.252 3.113 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.372 -11.128 2.521 1.00 0.00 N ATOM 0 H ARG A 32 -5.673 -8.453 3.063 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.816 -11.312 2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.669 -8.815 1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.822 -10.422 0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.222 -11.066 2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.171 -9.390 2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.576 -8.677 1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.989 -9.863 0.058 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.604 -11.393 0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.401 -8.624 2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.869 -9.063 3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.491 -11.947 1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.046 -10.934 3.261 1.00 0.00 H new ATOM 498 N ALA A 33 -3.714 -9.322 0.987 1.00 0.00 N ATOM 499 CA ALA A 33 -2.521 -9.300 0.148 1.00 0.00 C ATOM 500 C ALA A 33 -1.328 -9.919 0.870 1.00 0.00 C ATOM 501 O ALA A 33 -0.380 -10.384 0.237 1.00 0.00 O ATOM 502 CB ALA A 33 -2.201 -7.876 -0.280 1.00 0.00 C ATOM 0 H ALA A 33 -3.990 -8.410 1.351 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.723 -9.897 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.308 -7.876 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.040 -7.469 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.025 -7.261 0.603 1.00 0.00 H new ATOM 508 N GLY A 34 -1.384 -9.926 2.199 1.00 0.00 N ATOM 509 CA GLY A 34 -0.303 -10.494 2.982 1.00 0.00 C ATOM 510 C GLY A 34 0.693 -9.449 3.447 1.00 0.00 C ATOM 511 O GLY A 34 1.899 -9.607 3.264 1.00 0.00 O ATOM 0 H GLY A 34 -2.158 -9.549 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.718 -11.006 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.216 -11.245 2.387 1.00 0.00 H new ATOM 515 N ILE A 35 0.186 -8.379 4.050 1.00 0.00 N ATOM 516 CA ILE A 35 1.041 -7.305 4.544 1.00 0.00 C ATOM 517 C ILE A 35 0.757 -7.009 6.012 1.00 0.00 C ATOM 518 O ILE A 35 -0.377 -7.135 6.473 1.00 0.00 O ATOM 519 CB ILE A 35 0.852 -6.014 3.723 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.127 -6.283 2.242 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.766 -4.914 4.244 1.00 0.00 C ATOM 522 CD1 ILE A 35 1.075 -5.041 1.381 1.00 0.00 C ATOM 0 H ILE A 35 -0.811 -8.232 4.208 1.00 0.00 H new ATOM 0 HA ILE A 35 2.071 -7.645 4.438 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.181 -5.682 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.110 -6.744 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.398 -7.003 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.620 -4.010 3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.529 -4.708 5.288 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.804 -5.236 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.279 -5.308 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.085 -4.591 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.823 -4.327 1.726 1.00 0.00 H new ATOM 534 N SER A 36 1.796 -6.616 6.743 1.00 0.00 N ATOM 535 CA SER A 36 1.658 -6.307 8.161 1.00 0.00 C ATOM 536 C SER A 36 2.160 -4.899 8.467 1.00 0.00 C ATOM 537 O SER A 36 2.536 -4.153 7.562 1.00 0.00 O ATOM 538 CB SER A 36 2.427 -7.328 9.003 1.00 0.00 C ATOM 539 OG SER A 36 1.615 -7.845 10.042 1.00 0.00 O ATOM 0 H SER A 36 2.741 -6.504 6.377 1.00 0.00 H new ATOM 0 HA SER A 36 0.599 -6.357 8.415 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.772 -8.143 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.314 -6.859 9.429 1.00 0.00 H new ATOM 0 HG SER A 36 2.128 -8.496 10.565 1.00 0.00 H new ATOM 545 N GLU A 37 2.161 -4.543 9.748 1.00 0.00 N ATOM 546 CA GLU A 37 2.613 -3.224 10.175 1.00 0.00 C ATOM 547 C GLU A 37 4.062 -2.982 9.766 1.00 0.00 C ATOM 548 O GLU A 37 4.422 -1.886 9.335 1.00 0.00 O ATOM 549 CB GLU A 37 2.475 -3.085 11.694 1.00 0.00 C ATOM 550 CG GLU A 37 1.301 -2.220 12.123 1.00 0.00 C ATOM 551 CD GLU A 37 1.263 -1.992 13.623 1.00 0.00 C ATOM 552 OE1 GLU A 37 1.891 -1.018 14.091 1.00 0.00 O ATOM 553 OE2 GLU A 37 0.606 -2.786 14.328 1.00 0.00 O ATOM 0 H GLU A 37 1.854 -5.150 10.508 1.00 0.00 H new ATOM 0 HA GLU A 37 1.987 -2.478 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.364 -4.077 12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.395 -2.660 12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.358 -1.258 11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.371 -2.693 11.807 1.00 0.00 H new ATOM 560 N ALA A 38 4.890 -4.013 9.906 1.00 0.00 N ATOM 561 CA ALA A 38 6.306 -3.915 9.564 1.00 0.00 C ATOM 562 C ALA A 38 6.508 -3.262 8.200 1.00 0.00 C ATOM 563 O ALA A 38 7.415 -2.449 8.018 1.00 0.00 O ATOM 564 CB ALA A 38 6.948 -5.294 9.589 1.00 0.00 C ATOM 0 H ALA A 38 4.604 -4.928 10.255 1.00 0.00 H new ATOM 0 HA ALA A 38 6.788 -3.283 10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.004 -5.208 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.851 -5.723 10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.450 -5.940 8.866 1.00 0.00 H new ATOM 570 N GLN A 39 5.661 -3.625 7.243 1.00 0.00 N ATOM 571 CA GLN A 39 5.752 -3.079 5.894 1.00 0.00 C ATOM 572 C GLN A 39 5.082 -1.710 5.807 1.00 0.00 C ATOM 573 O GLN A 39 5.394 -0.912 4.923 1.00 0.00 O ATOM 574 CB GLN A 39 5.107 -4.037 4.891 1.00 0.00 C ATOM 575 CG GLN A 39 5.798 -5.388 4.809 1.00 0.00 C ATOM 576 CD GLN A 39 4.839 -6.515 4.482 1.00 0.00 C ATOM 577 OE1 GLN A 39 3.958 -6.846 5.275 1.00 0.00 O ATOM 578 NE2 GLN A 39 5.004 -7.110 3.306 1.00 0.00 N ATOM 0 H GLN A 39 4.904 -4.295 7.377 1.00 0.00 H new ATOM 0 HA GLN A 39 6.808 -2.960 5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.063 -4.188 5.166 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.113 -3.575 3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.578 -5.347 4.048 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.290 -5.599 5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.748 -6.803 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.387 -7.874 3.030 1.00 0.00 H new ATOM 587 N LEU A 40 4.157 -1.446 6.725 1.00 0.00 N ATOM 588 CA LEU A 40 3.440 -0.177 6.744 1.00 0.00 C ATOM 589 C LEU A 40 4.211 0.883 7.528 1.00 0.00 C ATOM 590 O LEU A 40 4.007 2.081 7.336 1.00 0.00 O ATOM 591 CB LEU A 40 2.049 -0.364 7.352 1.00 0.00 C ATOM 592 CG LEU A 40 1.219 -1.492 6.736 1.00 0.00 C ATOM 593 CD1 LEU A 40 0.130 -1.939 7.699 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.615 -1.046 5.412 1.00 0.00 C ATOM 0 H LEU A 40 3.887 -2.094 7.465 1.00 0.00 H new ATOM 0 HA LEU A 40 3.340 0.166 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.159 -0.555 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.496 0.570 7.251 1.00 0.00 H new ATOM 0 HG LEU A 40 1.876 -2.340 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.451 -2.742 7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.585 -2.298 8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.526 -1.098 7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.028 -1.860 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.029 -0.183 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.413 -0.775 4.721 1.00 0.00 H new ATOM 606 N THR A 41 5.093 0.434 8.415 1.00 0.00 N ATOM 607 CA THR A 41 5.887 1.348 9.229 1.00 0.00 C ATOM 608 C THR A 41 7.090 1.871 8.450 1.00 0.00 C ATOM 609 O THR A 41 7.435 3.050 8.540 1.00 0.00 O ATOM 610 CB THR A 41 6.358 0.645 10.504 1.00 0.00 C ATOM 611 OG1 THR A 41 7.098 -0.522 10.188 1.00 0.00 O ATOM 612 CG2 THR A 41 5.224 0.237 11.418 1.00 0.00 C ATOM 0 H THR A 41 5.276 -0.554 8.588 1.00 0.00 H new ATOM 0 HA THR A 41 5.257 2.196 9.498 1.00 0.00 H new ATOM 0 HB THR A 41 6.976 1.376 11.025 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.392 -0.957 11.015 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.629 -0.256 12.302 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.664 1.122 11.720 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.561 -0.450 10.891 1.00 0.00 H new ATOM 620 N ASP A 42 7.725 0.989 7.684 1.00 0.00 N ATOM 621 CA ASP A 42 8.892 1.362 6.892 1.00 0.00 C ATOM 622 C ASP A 42 8.548 2.464 5.894 1.00 0.00 C ATOM 623 O ASP A 42 7.582 2.352 5.139 1.00 0.00 O ATOM 624 CB ASP A 42 9.439 0.142 6.149 1.00 0.00 C ATOM 625 CG ASP A 42 10.929 0.241 5.887 1.00 0.00 C ATOM 626 OD1 ASP A 42 11.508 1.316 6.149 1.00 0.00 O ATOM 627 OD2 ASP A 42 11.517 -0.758 5.420 1.00 0.00 O ATOM 0 H ASP A 42 7.451 0.011 7.595 1.00 0.00 H new ATOM 0 HA ASP A 42 9.654 1.740 7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.235 -0.756 6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.913 0.033 5.201 1.00 0.00 H new ATOM 632 N ALA A 43 9.350 3.525 5.890 1.00 0.00 N ATOM 633 CA ALA A 43 9.132 4.645 4.983 1.00 0.00 C ATOM 634 C ALA A 43 9.458 4.258 3.544 1.00 0.00 C ATOM 635 O ALA A 43 8.869 4.785 2.600 1.00 0.00 O ATOM 636 CB ALA A 43 9.968 5.842 5.411 1.00 0.00 C ATOM 0 H ALA A 43 10.157 3.632 6.505 1.00 0.00 H new ATOM 0 HA ALA A 43 8.077 4.917 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.795 6.671 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.685 6.141 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.024 5.572 5.395 1.00 0.00 H new ATOM 642 N GLU A 44 10.398 3.333 3.382 1.00 0.00 N ATOM 643 CA GLU A 44 10.802 2.876 2.057 1.00 0.00 C ATOM 644 C GLU A 44 9.721 2.005 1.428 1.00 0.00 C ATOM 645 O GLU A 44 9.467 2.087 0.225 1.00 0.00 O ATOM 646 CB GLU A 44 12.115 2.094 2.142 1.00 0.00 C ATOM 647 CG GLU A 44 13.337 2.975 2.331 1.00 0.00 C ATOM 648 CD GLU A 44 13.177 3.954 3.478 1.00 0.00 C ATOM 649 OE1 GLU A 44 12.566 5.023 3.265 1.00 0.00 O ATOM 650 OE2 GLU A 44 13.661 3.652 4.589 1.00 0.00 O ATOM 0 H GLU A 44 10.895 2.885 4.152 1.00 0.00 H new ATOM 0 HA GLU A 44 10.949 3.754 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.055 1.388 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.238 1.507 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.209 2.347 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.528 3.527 1.411 1.00 0.00 H new ATOM 657 N THR A 45 9.090 1.171 2.245 1.00 0.00 N ATOM 658 CA THR A 45 8.040 0.279 1.767 1.00 0.00 C ATOM 659 C THR A 45 6.690 0.988 1.742 1.00 0.00 C ATOM 660 O THR A 45 5.912 0.826 0.802 1.00 0.00 O ATOM 661 CB THR A 45 7.960 -0.965 2.655 1.00 0.00 C ATOM 662 OG1 THR A 45 9.255 -1.387 3.043 1.00 0.00 O ATOM 663 CG2 THR A 45 7.276 -2.137 1.985 1.00 0.00 C ATOM 0 H THR A 45 9.287 1.093 3.243 1.00 0.00 H new ATOM 0 HA THR A 45 8.288 -0.022 0.749 1.00 0.00 H new ATOM 0 HB THR A 45 7.366 -0.666 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.183 -2.182 3.611 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.253 -2.985 2.669 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.256 -1.859 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.825 -2.412 1.084 1.00 0.00 H new ATOM 671 N SER A 46 6.414 1.775 2.779 1.00 0.00 N ATOM 672 CA SER A 46 5.154 2.506 2.865 1.00 0.00 C ATOM 673 C SER A 46 4.888 3.279 1.578 1.00 0.00 C ATOM 674 O SER A 46 3.881 3.055 0.908 1.00 0.00 O ATOM 675 CB SER A 46 5.171 3.466 4.056 1.00 0.00 C ATOM 676 OG SER A 46 5.194 2.758 5.283 1.00 0.00 O ATOM 0 H SER A 46 7.043 1.922 3.568 1.00 0.00 H new ATOM 0 HA SER A 46 4.353 1.781 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.044 4.115 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.292 4.110 4.021 1.00 0.00 H new ATOM 0 HG SER A 46 6.123 2.586 5.544 1.00 0.00 H new ATOM 682 N LYS A 47 5.804 4.178 1.231 1.00 0.00 N ATOM 683 CA LYS A 47 5.672 4.958 0.006 1.00 0.00 C ATOM 684 C LYS A 47 5.544 4.028 -1.192 1.00 0.00 C ATOM 685 O LYS A 47 4.737 4.261 -2.093 1.00 0.00 O ATOM 686 CB LYS A 47 6.877 5.882 -0.174 1.00 0.00 C ATOM 687 CG LYS A 47 6.536 7.199 -0.852 1.00 0.00 C ATOM 688 CD LYS A 47 7.758 8.093 -0.985 1.00 0.00 C ATOM 689 CE LYS A 47 8.130 8.316 -2.442 1.00 0.00 C ATOM 690 NZ LYS A 47 7.386 9.461 -3.036 1.00 0.00 N ATOM 0 H LYS A 47 6.641 4.383 1.777 1.00 0.00 H new ATOM 0 HA LYS A 47 4.773 5.571 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.316 6.088 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.636 5.366 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.119 7.003 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.767 7.716 -0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.561 9.053 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.599 7.642 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.202 8.500 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.920 7.411 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.668 9.580 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.364 9.274 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.606 10.329 -2.508 1.00 0.00 H new ATOM 704 N LEU A 48 6.334 2.959 -1.183 1.00 0.00 N ATOM 705 CA LEU A 48 6.290 1.966 -2.245 1.00 0.00 C ATOM 706 C LEU A 48 4.894 1.367 -2.350 1.00 0.00 C ATOM 707 O LEU A 48 4.429 1.023 -3.436 1.00 0.00 O ATOM 708 CB LEU A 48 7.315 0.863 -1.973 1.00 0.00 C ATOM 709 CG LEU A 48 7.369 -0.251 -3.020 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.199 -1.207 -2.844 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.377 0.337 -4.423 1.00 0.00 C ATOM 0 H LEU A 48 7.013 2.760 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 48 6.534 2.452 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.303 1.318 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.096 0.417 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 48 8.292 -0.813 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.254 -1.993 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.240 -1.654 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.263 -0.661 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.416 -0.469 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.471 0.924 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.250 0.979 -4.544 1.00 0.00 H new ATOM 723 N ILE A 49 4.229 1.255 -1.204 1.00 0.00 N ATOM 724 CA ILE A 49 2.878 0.715 -1.146 1.00 0.00 C ATOM 725 C ILE A 49 1.841 1.809 -1.347 1.00 0.00 C ATOM 726 O ILE A 49 0.721 1.535 -1.774 1.00 0.00 O ATOM 727 CB ILE A 49 2.614 0.011 0.201 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.632 -1.108 0.424 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.197 -0.542 0.248 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.758 -1.529 1.872 1.00 0.00 C ATOM 0 H ILE A 49 4.608 1.533 -0.299 1.00 0.00 H new ATOM 0 HA ILE A 49 2.792 -0.014 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 49 2.722 0.744 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.346 -1.973 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.607 -0.779 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.030 -1.035 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.484 0.274 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.060 -1.262 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.497 -2.326 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.074 -0.676 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.794 -1.889 2.232 1.00 0.00 H new ATOM 742 N TYR A 50 2.211 3.054 -1.052 1.00 0.00 N ATOM 743 CA TYR A 50 1.265 4.148 -1.195 1.00 0.00 C ATOM 744 C TYR A 50 0.853 4.308 -2.657 1.00 0.00 C ATOM 745 O TYR A 50 -0.232 4.808 -2.953 1.00 0.00 O ATOM 746 CB TYR A 50 1.806 5.470 -0.573 1.00 0.00 C ATOM 747 CG TYR A 50 1.842 6.675 -1.502 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.743 6.729 -2.558 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.972 7.751 -1.325 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.783 7.817 -3.409 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.008 8.842 -2.175 1.00 0.00 C ATOM 752 CZ TYR A 50 1.915 8.869 -3.214 1.00 0.00 C ATOM 753 OH TYR A 50 1.953 9.953 -4.060 1.00 0.00 O ATOM 0 H TYR A 50 3.138 3.322 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 50 0.367 3.901 -0.629 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.191 5.720 0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.816 5.289 -0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.424 5.906 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.260 7.732 -0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.492 7.843 -4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.329 9.669 -2.026 1.00 0.00 H new ATOM 0 HH TYR A 50 1.576 9.703 -4.929 1.00 0.00 H new ATOM 763 N ASP A 51 1.702 3.846 -3.565 1.00 0.00 N ATOM 764 CA ASP A 51 1.373 3.875 -4.980 1.00 0.00 C ATOM 765 C ASP A 51 0.108 3.059 -5.239 1.00 0.00 C ATOM 766 O ASP A 51 -0.547 3.221 -6.268 1.00 0.00 O ATOM 767 CB ASP A 51 2.534 3.324 -5.810 1.00 0.00 C ATOM 768 CG ASP A 51 2.691 4.041 -7.136 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.892 3.768 -8.057 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.612 4.875 -7.254 1.00 0.00 O ATOM 0 H ASP A 51 2.616 3.450 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 51 1.195 4.909 -5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.459 3.414 -5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.374 2.261 -5.992 1.00 0.00 H new ATOM 775 N PHE A 52 -0.243 2.192 -4.284 1.00 0.00 N ATOM 776 CA PHE A 52 -1.417 1.343 -4.414 1.00 0.00 C ATOM 777 C PHE A 52 -2.686 2.061 -3.939 1.00 0.00 C ATOM 778 O PHE A 52 -3.618 2.253 -4.721 1.00 0.00 O ATOM 779 CB PHE A 52 -1.212 0.039 -3.640 1.00 0.00 C ATOM 780 CG PHE A 52 -2.410 -0.864 -3.681 1.00 0.00 C ATOM 781 CD1 PHE A 52 -3.510 -0.616 -2.878 1.00 0.00 C ATOM 782 CD2 PHE A 52 -2.446 -1.942 -4.550 1.00 0.00 C ATOM 783 CE1 PHE A 52 -4.618 -1.440 -2.928 1.00 0.00 C ATOM 784 CE2 PHE A 52 -3.550 -2.769 -4.605 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.639 -2.519 -3.793 1.00 0.00 C ATOM 0 H PHE A 52 0.274 2.064 -3.414 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.550 1.110 -5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.352 -0.489 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.976 0.273 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.502 0.230 -2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.600 -2.138 -5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.468 -1.242 -2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.562 -3.610 -5.282 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.504 -3.164 -3.833 1.00 0.00 H new ATOM 795 N ILE A 53 -2.731 2.456 -2.663 1.00 0.00 N ATOM 796 CA ILE A 53 -3.898 3.178 -2.143 1.00 0.00 C ATOM 797 C ILE A 53 -4.018 4.553 -2.799 1.00 0.00 C ATOM 798 O ILE A 53 -5.081 5.175 -2.763 1.00 0.00 O ATOM 799 CB ILE A 53 -3.932 3.298 -0.592 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.525 1.970 0.056 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.329 3.709 -0.133 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.184 2.099 1.525 1.00 0.00 C ATOM 0 H ILE A 53 -1.989 2.293 -1.982 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.765 2.573 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.220 4.063 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.338 1.253 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.664 1.564 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.345 3.791 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.588 4.672 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.052 2.958 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.905 1.123 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.351 2.791 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.051 2.476 2.068 1.00 0.00 H new ATOM 814 N GLU A 54 -2.928 5.020 -3.408 1.00 0.00 N ATOM 815 CA GLU A 54 -2.920 6.319 -4.071 1.00 0.00 C ATOM 816 C GLU A 54 -3.554 6.233 -5.455 1.00 0.00 C ATOM 817 O GLU A 54 -4.177 7.186 -5.923 1.00 0.00 O ATOM 818 CB GLU A 54 -1.488 6.844 -4.188 1.00 0.00 C ATOM 819 CG GLU A 54 -1.380 8.140 -4.974 1.00 0.00 C ATOM 820 CD GLU A 54 -0.637 7.967 -6.283 1.00 0.00 C ATOM 821 OE1 GLU A 54 -1.275 7.568 -7.280 1.00 0.00 O ATOM 822 OE2 GLU A 54 0.584 8.230 -6.313 1.00 0.00 O ATOM 0 H GLU A 54 -2.042 4.517 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.508 7.009 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.084 7.000 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.869 6.085 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.380 8.523 -5.176 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.870 8.888 -4.367 1.00 0.00 H new ATOM 829 N ASP A 55 -3.388 5.088 -6.108 1.00 0.00 N ATOM 830 CA ASP A 55 -3.942 4.881 -7.440 1.00 0.00 C ATOM 831 C ASP A 55 -5.452 4.676 -7.379 1.00 0.00 C ATOM 832 O ASP A 55 -6.189 5.162 -8.236 1.00 0.00 O ATOM 833 CB ASP A 55 -3.280 3.676 -8.111 1.00 0.00 C ATOM 834 CG ASP A 55 -2.577 4.047 -9.402 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.228 3.999 -10.467 1.00 0.00 O ATOM 836 OD2 ASP A 55 -1.376 4.385 -9.349 1.00 0.00 O ATOM 0 H ASP A 55 -2.874 4.289 -5.736 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.739 5.775 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.561 3.231 -7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.036 2.918 -8.317 1.00 0.00 H new ATOM 841 N GLN A 56 -5.905 3.952 -6.360 1.00 0.00 N ATOM 842 CA GLN A 56 -7.327 3.684 -6.187 1.00 0.00 C ATOM 843 C GLN A 56 -8.113 4.984 -6.039 1.00 0.00 C ATOM 844 O GLN A 56 -9.309 5.033 -6.326 1.00 0.00 O ATOM 845 CB GLN A 56 -7.554 2.795 -4.964 1.00 0.00 C ATOM 846 CG GLN A 56 -6.868 1.441 -5.058 1.00 0.00 C ATOM 847 CD GLN A 56 -7.201 0.706 -6.341 1.00 0.00 C ATOM 848 OE1 GLN A 56 -8.347 0.701 -6.788 1.00 0.00 O ATOM 849 NE2 GLN A 56 -6.195 0.079 -6.940 1.00 0.00 N ATOM 0 H GLN A 56 -5.308 3.541 -5.643 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.684 3.165 -7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.194 3.314 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -8.625 2.642 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.789 1.579 -4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.163 0.829 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.260 0.110 -6.533 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.357 -0.433 -7.807 1.00 0.00 H new ATOM 858 N GLY A 57 -7.432 6.034 -5.591 1.00 0.00 N ATOM 859 CA GLY A 57 -8.084 7.319 -5.410 1.00 0.00 C ATOM 860 C GLY A 57 -8.217 7.698 -3.949 1.00 0.00 C ATOM 861 O GLY A 57 -8.293 8.880 -3.610 1.00 0.00 O ATOM 0 H GLY A 57 -6.441 6.018 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.515 8.089 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.073 7.289 -5.866 1.00 0.00 H new ATOM 865 N GLY A 58 -8.243 6.692 -3.081 1.00 0.00 N ATOM 866 CA GLY A 58 -8.364 6.940 -1.657 1.00 0.00 C ATOM 867 C GLY A 58 -8.861 5.724 -0.902 1.00 0.00 C ATOM 868 O GLY A 58 -9.048 4.661 -1.490 1.00 0.00 O ATOM 0 H GLY A 58 -8.182 5.707 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.395 7.241 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.048 7.772 -1.492 1.00 0.00 H new ATOM 872 N LEU A 59 -9.064 5.871 0.403 1.00 0.00 N ATOM 873 CA LEU A 59 -9.544 4.768 1.219 1.00 0.00 C ATOM 874 C LEU A 59 -11.047 4.618 1.066 1.00 0.00 C ATOM 875 O LEU A 59 -11.538 3.564 0.663 1.00 0.00 O ATOM 876 CB LEU A 59 -9.183 5.006 2.678 1.00 0.00 C ATOM 877 CG LEU A 59 -8.179 4.011 3.241 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.852 4.171 2.529 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.018 4.205 4.738 1.00 0.00 C ATOM 0 H LEU A 59 -8.904 6.739 0.914 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.067 3.847 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.777 6.012 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.093 4.966 3.277 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.547 2.999 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.134 3.458 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.986 3.986 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.479 5.185 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.296 3.485 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.663 5.216 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.979 4.054 5.230 1.00 0.00 H new ATOM 891 N GLU A 60 -11.770 5.705 1.311 1.00 0.00 N ATOM 892 CA GLU A 60 -13.200 5.723 1.057 1.00 0.00 C ATOM 893 C GLU A 60 -13.407 5.552 -0.440 1.00 0.00 C ATOM 894 O GLU A 60 -14.368 4.929 -0.892 1.00 0.00 O ATOM 895 CB GLU A 60 -13.821 7.035 1.538 1.00 0.00 C ATOM 896 CG GLU A 60 -13.156 8.272 0.957 1.00 0.00 C ATOM 897 CD GLU A 60 -13.895 9.549 1.304 1.00 0.00 C ATOM 898 OE1 GLU A 60 -14.793 9.945 0.531 1.00 0.00 O ATOM 899 OE2 GLU A 60 -13.576 10.155 2.349 1.00 0.00 O ATOM 0 H GLU A 60 -11.391 6.576 1.682 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.687 4.915 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.879 7.044 1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.762 7.078 2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.133 8.337 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.098 8.173 -0.127 1.00 0.00 H new ATOM 906 N ALA A 61 -12.437 6.066 -1.196 1.00 0.00 N ATOM 907 CA ALA A 61 -12.415 5.941 -2.637 1.00 0.00 C ATOM 908 C ALA A 61 -12.340 4.469 -3.037 1.00 0.00 C ATOM 909 O ALA A 61 -12.880 4.065 -4.067 1.00 0.00 O ATOM 910 CB ALA A 61 -11.219 6.713 -3.176 1.00 0.00 C ATOM 0 H ALA A 61 -11.644 6.582 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.330 6.354 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.190 6.627 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.308 7.763 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.301 6.302 -2.755 1.00 0.00 H new ATOM 916 N VAL A 62 -11.682 3.672 -2.196 1.00 0.00 N ATOM 917 CA VAL A 62 -11.560 2.236 -2.427 1.00 0.00 C ATOM 918 C VAL A 62 -12.816 1.517 -1.937 1.00 0.00 C ATOM 919 O VAL A 62 -13.343 0.637 -2.616 1.00 0.00 O ATOM 920 CB VAL A 62 -10.305 1.659 -1.719 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.323 0.133 -1.683 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.041 2.156 -2.404 1.00 0.00 C ATOM 0 H VAL A 62 -11.224 4.000 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.449 2.074 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.317 2.011 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.427 -0.230 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.206 -0.208 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.349 -0.255 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.167 1.745 -1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.042 1.836 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.007 3.245 -2.359 1.00 0.00 H new ATOM 932 N ARG A 63 -13.292 1.906 -0.759 1.00 0.00 N ATOM 933 CA ARG A 63 -14.492 1.309 -0.185 1.00 0.00 C ATOM 934 C ARG A 63 -15.636 1.325 -1.193 1.00 0.00 C ATOM 935 O ARG A 63 -16.452 0.404 -1.238 1.00 0.00 O ATOM 936 CB ARG A 63 -14.905 2.062 1.080 1.00 0.00 C ATOM 937 CG ARG A 63 -14.202 1.575 2.336 1.00 0.00 C ATOM 938 CD ARG A 63 -14.029 2.696 3.349 1.00 0.00 C ATOM 939 NE ARG A 63 -15.296 3.350 3.663 1.00 0.00 N ATOM 940 CZ ARG A 63 -15.391 4.472 4.370 1.00 0.00 C ATOM 941 NH1 ARG A 63 -14.297 5.062 4.831 1.00 0.00 N ATOM 942 NH2 ARG A 63 -16.580 5.005 4.614 1.00 0.00 N ATOM 0 H ARG A 63 -12.865 2.632 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 63 -14.268 0.274 0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.696 3.123 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.982 1.964 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.776 0.764 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.226 1.167 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.592 2.294 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.328 3.433 2.958 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.156 2.922 3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.381 4.655 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.372 5.923 5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.423 4.554 4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.651 5.866 5.157 1.00 0.00 H new ATOM 956 N GLN A 64 -15.684 2.378 -2.002 1.00 0.00 N ATOM 957 CA GLN A 64 -16.723 2.518 -3.014 1.00 0.00 C ATOM 958 C GLN A 64 -16.641 1.388 -4.036 1.00 0.00 C ATOM 959 O GLN A 64 -17.658 0.817 -4.427 1.00 0.00 O ATOM 960 CB GLN A 64 -16.594 3.869 -3.720 1.00 0.00 C ATOM 961 CG GLN A 64 -17.226 5.019 -2.954 1.00 0.00 C ATOM 962 CD GLN A 64 -16.538 6.343 -3.219 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.677 6.924 -4.295 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.790 6.828 -2.235 1.00 0.00 N ATOM 0 H GLN A 64 -15.015 3.147 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.692 2.465 -2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.538 4.087 -3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.058 3.801 -4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.278 5.099 -3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.191 4.803 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.703 6.313 -1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.303 7.716 -2.355 1.00 0.00 H new ATOM 973 N GLU A 65 -15.424 1.073 -4.465 1.00 0.00 N ATOM 974 CA GLU A 65 -15.208 0.012 -5.441 1.00 0.00 C ATOM 975 C GLU A 65 -15.136 -1.350 -4.759 1.00 0.00 C ATOM 976 O GLU A 65 -15.670 -2.337 -5.265 1.00 0.00 O ATOM 977 CB GLU A 65 -13.919 0.269 -6.226 1.00 0.00 C ATOM 978 CG GLU A 65 -13.596 -0.818 -7.238 1.00 0.00 C ATOM 979 CD GLU A 65 -12.923 -0.273 -8.482 1.00 0.00 C ATOM 980 OE1 GLU A 65 -12.693 0.952 -8.545 1.00 0.00 O ATOM 981 OE2 GLU A 65 -12.625 -1.074 -9.395 1.00 0.00 O ATOM 0 H GLU A 65 -14.572 1.538 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.053 0.009 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.004 1.224 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.089 0.360 -5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.947 -1.561 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.515 -1.331 -7.521 1.00 0.00 H new ATOM 988 N MET A 66 -14.474 -1.395 -3.607 1.00 0.00 N ATOM 989 CA MET A 66 -14.332 -2.634 -2.854 1.00 0.00 C ATOM 990 C MET A 66 -15.685 -3.307 -2.650 1.00 0.00 C ATOM 991 O MET A 66 -15.777 -4.532 -2.582 1.00 0.00 O ATOM 992 CB MET A 66 -13.678 -2.356 -1.497 1.00 0.00 C ATOM 993 CG MET A 66 -12.402 -3.147 -1.263 1.00 0.00 C ATOM 994 SD MET A 66 -12.075 -3.435 0.486 1.00 0.00 S ATOM 995 CE MET A 66 -10.816 -4.705 0.389 1.00 0.00 C ATOM 0 H MET A 66 -14.027 -0.586 -3.175 1.00 0.00 H new ATOM 0 HA MET A 66 -13.696 -3.308 -3.428 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.455 -1.292 -1.422 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.390 -2.589 -0.705 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.473 -4.105 -1.778 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.561 -2.611 -1.702 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.193 -5.626 0.834 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.560 -4.885 -0.655 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.927 -4.378 0.929 1.00 0.00 H new ATOM 1181 N LEU A 81 -9.083 -6.451 -6.171 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.980 -5.499 -6.222 1.00 0.00 C ATOM 1183 C LEU A 81 -6.828 -5.955 -5.333 1.00 0.00 C ATOM 1184 O LEU A 81 -5.674 -5.594 -5.564 1.00 0.00 O ATOM 1185 CB LEU A 81 -8.456 -4.111 -5.791 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.218 -4.072 -4.465 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -8.516 -3.159 -3.473 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.653 -3.618 -4.689 1.00 0.00 C ATOM 0 HA LEU A 81 -7.623 -5.448 -7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.590 -3.454 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.097 -3.704 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.237 -5.079 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.072 -3.144 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.507 -3.528 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.465 -2.150 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.181 -3.596 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.655 -2.620 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.153 -4.312 -5.364 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.147 -6.752 -4.319 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.135 -7.264 -3.405 1.00 0.00 C ATOM 1202 C VAL A 82 -5.058 -8.031 -4.165 1.00 0.00 C ATOM 1203 O VAL A 82 -3.865 -7.842 -3.931 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.750 -8.186 -2.336 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.683 -8.665 -1.364 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.875 -7.474 -1.599 1.00 0.00 C ATOM 0 H VAL A 82 -8.098 -7.057 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.689 -6.402 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.170 -9.059 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.137 -9.315 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.917 -9.218 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.229 -7.806 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.297 -8.141 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.483 -6.581 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.652 -7.189 -2.309 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.488 -8.894 -5.080 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.548 -9.668 -5.867 1.00 0.00 C ATOM 1218 C GLY A 83 -3.533 -8.792 -6.573 1.00 0.00 C ATOM 1219 O GLY A 83 -2.420 -9.230 -6.866 1.00 0.00 O ATOM 0 H GLY A 83 -6.470 -9.070 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.028 -10.373 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.093 -10.256 -6.605 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.917 -7.548 -6.842 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.032 -6.602 -7.510 1.00 0.00 C ATOM 1225 C ALA A 84 -1.967 -6.085 -6.549 1.00 0.00 C ATOM 1226 O ALA A 84 -0.834 -5.817 -6.947 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.832 -5.445 -8.087 1.00 0.00 C ATOM 0 H ALA A 84 -4.836 -7.172 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.531 -7.122 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.157 -4.747 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.554 -5.826 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.359 -4.931 -7.284 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.340 -5.951 -5.280 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.415 -5.475 -4.261 1.00 0.00 C ATOM 1235 C LEU A 85 -0.247 -6.441 -4.098 1.00 0.00 C ATOM 1236 O LEU A 85 0.912 -6.030 -4.074 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.141 -5.296 -2.922 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.238 -5.115 -1.698 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -0.059 -4.213 -2.025 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.031 -4.553 -0.528 1.00 0.00 C ATOM 0 H LEU A 85 -3.275 -6.165 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.023 -4.510 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.797 -4.429 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.778 -6.165 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.850 -6.093 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.568 -4.099 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.526 -4.657 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.425 -3.235 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.373 -4.431 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.450 -3.585 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.839 -5.239 -0.273 1.00 0.00 H new ATOM 1252 N MET A 86 -0.559 -7.729 -4.004 1.00 0.00 N ATOM 1253 CA MET A 86 0.467 -8.754 -3.852 1.00 0.00 C ATOM 1254 C MET A 86 1.565 -8.586 -4.898 1.00 0.00 C ATOM 1255 O MET A 86 2.702 -9.011 -4.694 1.00 0.00 O ATOM 1256 CB MET A 86 -0.154 -10.148 -3.970 1.00 0.00 C ATOM 1257 CG MET A 86 -1.260 -10.408 -2.961 1.00 0.00 C ATOM 1258 SD MET A 86 -2.018 -12.032 -3.165 1.00 0.00 S ATOM 1259 CE MET A 86 -3.754 -11.611 -3.047 1.00 0.00 C ATOM 0 H MET A 86 -1.513 -8.088 -4.030 1.00 0.00 H new ATOM 0 HA MET A 86 0.912 -8.643 -2.863 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.554 -10.274 -4.976 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.627 -10.897 -3.841 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.854 -10.325 -1.953 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.026 -9.639 -3.061 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.326 -12.228 -3.740 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.103 -11.788 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.891 -10.560 -3.299 1.00 0.00 H new ATOM 1269 N HIS A 87 1.217 -7.959 -6.018 1.00 0.00 N ATOM 1270 CA HIS A 87 2.168 -7.743 -7.101 1.00 0.00 C ATOM 1271 C HIS A 87 3.118 -6.590 -6.788 1.00 0.00 C ATOM 1272 O HIS A 87 4.283 -6.613 -7.184 1.00 0.00 O ATOM 1273 CB HIS A 87 1.423 -7.461 -8.408 1.00 0.00 C ATOM 1274 CG HIS A 87 2.108 -8.019 -9.616 1.00 0.00 C ATOM 1275 ND1 HIS A 87 1.478 -8.179 -10.833 1.00 0.00 N ATOM 1276 CD2 HIS A 87 3.377 -8.460 -9.789 1.00 0.00 C ATOM 1277 CE1 HIS A 87 2.330 -8.692 -11.703 1.00 0.00 C ATOM 1278 NE2 HIS A 87 3.487 -8.871 -11.095 1.00 0.00 N ATOM 0 H HIS A 87 0.283 -7.592 -6.198 1.00 0.00 H new ATOM 0 HA HIS A 87 2.761 -8.651 -7.209 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.419 -7.880 -8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.311 -6.383 -8.528 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.156 -8.484 -9.041 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.116 -8.925 -12.736 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.329 -9.253 -11.526 1.00 0.00 H new ATOM 1287 N VAL A 88 2.616 -5.579 -6.082 1.00 0.00 N ATOM 1288 CA VAL A 88 3.433 -4.419 -5.737 1.00 0.00 C ATOM 1289 C VAL A 88 4.565 -4.808 -4.784 1.00 0.00 C ATOM 1290 O VAL A 88 5.616 -4.168 -4.757 1.00 0.00 O ATOM 1291 CB VAL A 88 2.575 -3.270 -5.134 1.00 0.00 C ATOM 1292 CG1 VAL A 88 2.371 -3.424 -3.628 1.00 0.00 C ATOM 1293 CG2 VAL A 88 3.203 -1.922 -5.450 1.00 0.00 C ATOM 0 H VAL A 88 1.656 -5.539 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 88 3.876 -4.049 -6.661 1.00 0.00 H new ATOM 0 HB VAL A 88 1.590 -3.326 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.766 -2.597 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.862 -4.366 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.339 -3.419 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.592 -1.127 -5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.205 -1.879 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.262 -1.793 -6.531 1.00 0.00 H new ATOM 1303 N MET A 89 4.338 -5.861 -4.005 1.00 0.00 N ATOM 1304 CA MET A 89 5.333 -6.338 -3.052 1.00 0.00 C ATOM 1305 C MET A 89 6.447 -7.098 -3.766 1.00 0.00 C ATOM 1306 O MET A 89 7.621 -6.968 -3.421 1.00 0.00 O ATOM 1307 CB MET A 89 4.674 -7.239 -2.005 1.00 0.00 C ATOM 1308 CG MET A 89 3.980 -6.472 -0.890 1.00 0.00 C ATOM 1309 SD MET A 89 5.144 -5.705 0.255 1.00 0.00 S ATOM 1310 CE MET A 89 5.187 -4.029 -0.379 1.00 0.00 C ATOM 0 H MET A 89 3.472 -6.401 -4.015 1.00 0.00 H new ATOM 0 HA MET A 89 5.769 -5.472 -2.554 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.946 -7.883 -2.499 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.432 -7.890 -1.569 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.344 -5.702 -1.326 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.328 -7.150 -0.339 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.281 -3.328 0.451 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.040 -3.915 -1.048 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.267 -3.823 -0.926 1.00 0.00 H new ATOM 1320 N GLN A 90 6.069 -7.889 -4.766 1.00 0.00 N ATOM 1321 CA GLN A 90 7.036 -8.668 -5.531 1.00 0.00 C ATOM 1322 C GLN A 90 8.092 -7.762 -6.155 1.00 0.00 C ATOM 1323 O GLN A 90 9.264 -8.132 -6.250 1.00 0.00 O ATOM 1324 CB GLN A 90 6.325 -9.472 -6.624 1.00 0.00 C ATOM 1325 CG GLN A 90 5.489 -10.621 -6.084 1.00 0.00 C ATOM 1326 CD GLN A 90 5.022 -11.565 -7.174 1.00 0.00 C ATOM 1327 OE1 GLN A 90 5.710 -12.526 -7.517 1.00 0.00 O ATOM 1328 NE2 GLN A 90 3.844 -11.295 -7.725 1.00 0.00 N ATOM 0 H GLN A 90 5.101 -8.007 -5.065 1.00 0.00 H new ATOM 0 HA GLN A 90 7.532 -9.357 -4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.682 -8.803 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.069 -9.868 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.074 -11.178 -5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.622 -10.219 -5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.307 -10.487 -7.410 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.477 -11.895 -8.463 1.00 0.00 H new ATOM 1337 N LYS A 91 7.673 -6.574 -6.578 1.00 0.00 N ATOM 1338 CA LYS A 91 8.587 -5.613 -7.185 1.00 0.00 C ATOM 1339 C LYS A 91 9.696 -5.236 -6.211 1.00 0.00 C ATOM 1340 O LYS A 91 10.866 -5.157 -6.585 1.00 0.00 O ATOM 1341 CB LYS A 91 7.828 -4.358 -7.618 1.00 0.00 C ATOM 1342 CG LYS A 91 7.093 -4.517 -8.938 1.00 0.00 C ATOM 1343 CD LYS A 91 7.915 -3.986 -10.101 1.00 0.00 C ATOM 1344 CE LYS A 91 7.108 -3.030 -10.963 1.00 0.00 C ATOM 1345 NZ LYS A 91 5.912 -3.690 -11.557 1.00 0.00 N ATOM 0 H LYS A 91 6.707 -6.254 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 91 9.036 -6.078 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.110 -4.092 -6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.531 -3.529 -7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.864 -5.570 -9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.141 -3.987 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.799 -3.475 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.266 -4.819 -10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.791 -2.178 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.740 -2.639 -11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.535 -3.099 -12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.181 -4.620 -11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.184 -3.812 -10.825 1.00 0.00 H new ATOM 1359 N ARG A 92 9.319 -5.004 -4.958 1.00 0.00 N ATOM 1360 CA ARG A 92 10.281 -4.638 -3.925 1.00 0.00 C ATOM 1361 C ARG A 92 11.053 -5.862 -3.447 1.00 0.00 C ATOM 1362 O ARG A 92 12.281 -5.841 -3.368 1.00 0.00 O ATOM 1363 CB ARG A 92 9.564 -3.978 -2.746 1.00 0.00 C ATOM 1364 CG ARG A 92 10.099 -2.598 -2.404 1.00 0.00 C ATOM 1365 CD ARG A 92 11.502 -2.671 -1.822 1.00 0.00 C ATOM 1366 NE ARG A 92 12.354 -1.590 -2.309 1.00 0.00 N ATOM 1367 CZ ARG A 92 13.492 -1.232 -1.726 1.00 0.00 C ATOM 1368 NH1 ARG A 92 13.914 -1.866 -0.641 1.00 0.00 N ATOM 1369 NH2 ARG A 92 14.213 -0.237 -2.229 1.00 0.00 N ATOM 0 H ARG A 92 8.354 -5.063 -4.633 1.00 0.00 H new ATOM 0 HA ARG A 92 10.989 -3.929 -4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.501 -3.900 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.655 -4.621 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.108 -1.978 -3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.432 -2.115 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.446 -2.626 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.951 -3.630 -2.079 1.00 0.00 H new ATOM 0 HE ARG A 92 12.059 -1.082 -3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.364 -2.632 -0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.789 -1.588 -0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.893 0.253 -3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.087 0.037 -1.780 1.00 0.00 H new ATOM 1383 N SER A 93 10.325 -6.927 -3.134 1.00 0.00 N ATOM 1384 CA SER A 93 10.941 -8.163 -2.665 1.00 0.00 C ATOM 1385 C SER A 93 11.989 -8.659 -3.657 1.00 0.00 C ATOM 1386 O SER A 93 13.046 -9.151 -3.264 1.00 0.00 O ATOM 1387 CB SER A 93 9.875 -9.241 -2.452 1.00 0.00 C ATOM 1388 OG SER A 93 9.796 -9.617 -1.088 1.00 0.00 O ATOM 0 H SER A 93 9.307 -6.960 -3.196 1.00 0.00 H new ATOM 0 HA SER A 93 11.434 -7.956 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.906 -8.870 -2.787 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.110 -10.114 -3.060 1.00 0.00 H new ATOM 0 HG SER A 93 9.107 -10.305 -0.978 1.00 0.00 H new