USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 397 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 12 SER OG : rot -45:sc= 0.367 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.629 K(o=1,f=-4.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.09) USER MOD Single : A 24 ASN : amide:sc= -0.62 K(o=-0.62,f=-5!) USER MOD Single : A 26 ASN : amide:sc= -0.0517 X(o=-0.052,f=-0.49) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 38 SER OG : rot 65:sc= 1.26 USER MOD Single : A 39 SER OG : rot 62:sc= 0.024 USER MOD Single : A 44 ASN : amide:sc= 0.479 K(o=0.48,f=-6.6!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.733 K(o=-0.73,f=-5.3!) USER MOD Single : A 54 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 160 N PHE A 11 -6.267 -8.709 -5.743 1.00 0.00 N ATOM 161 CA PHE A 11 -5.480 -7.568 -6.400 1.00 0.00 C ATOM 162 C PHE A 11 -4.605 -8.166 -7.535 1.00 0.00 C ATOM 163 O PHE A 11 -4.430 -9.332 -7.685 1.00 0.00 O ATOM 164 CB PHE A 11 -4.520 -6.940 -5.290 1.00 0.00 C ATOM 165 CG PHE A 11 -4.901 -6.100 -4.152 1.00 0.00 C ATOM 166 CD1 PHE A 11 -5.961 -6.385 -3.268 1.00 0.00 C ATOM 167 CD2 PHE A 11 -4.199 -4.887 -3.980 1.00 0.00 C ATOM 168 CE1 PHE A 11 -6.233 -5.535 -2.196 1.00 0.00 C ATOM 169 CE2 PHE A 11 -4.579 -4.040 -2.971 1.00 0.00 C ATOM 170 CZ PHE A 11 -5.496 -4.387 -1.932 1.00 0.00 C ATOM 0 HA PHE A 11 -6.151 -6.810 -6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.991 -7.788 -4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.785 -6.356 -5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.566 -7.266 -3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.377 -4.631 -4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.055 -5.781 -1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.158 -3.046 -2.961 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.606 -3.811 -1.025 1.00 0.00 H new ATOM 180 N SER A 12 -4.023 -7.332 -8.389 1.00 0.00 N ATOM 181 CA SER A 12 -3.309 -7.775 -9.595 1.00 0.00 C ATOM 182 C SER A 12 -1.722 -7.545 -9.586 1.00 0.00 C ATOM 183 O SER A 12 -1.241 -6.676 -8.812 1.00 0.00 O ATOM 184 CB SER A 12 -4.011 -7.020 -10.826 1.00 0.00 C ATOM 185 OG SER A 12 -3.785 -5.621 -10.898 1.00 0.00 O ATOM 0 H SER A 12 -4.030 -6.319 -8.269 1.00 0.00 H new ATOM 0 HA SER A 12 -3.388 -8.860 -9.665 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.663 -7.474 -11.754 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.086 -7.194 -10.770 1.00 0.00 H new ATOM 0 HG SER A 12 -3.903 -5.224 -10.010 1.00 0.00 H new ATOM 191 N SER A 13 -0.986 -8.178 -10.529 1.00 0.00 N ATOM 192 CA SER A 13 0.454 -8.136 -10.374 1.00 0.00 C ATOM 193 C SER A 13 1.060 -6.776 -10.651 1.00 0.00 C ATOM 194 O SER A 13 1.946 -6.381 -9.878 1.00 0.00 O ATOM 195 CB SER A 13 1.123 -9.161 -11.262 1.00 0.00 C ATOM 196 OG SER A 13 0.421 -10.406 -11.283 1.00 0.00 O ATOM 0 H SER A 13 -1.345 -8.683 -11.339 1.00 0.00 H new ATOM 0 HA SER A 13 0.635 -8.365 -9.324 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.192 -8.769 -12.277 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.143 -9.328 -10.915 1.00 0.00 H new ATOM 0 HG SER A 13 0.889 -11.036 -11.870 1.00 0.00 H new ATOM 202 N GLU A 14 0.438 -6.031 -11.538 1.00 0.00 N ATOM 203 CA GLU A 14 0.875 -4.609 -11.798 1.00 0.00 C ATOM 204 C GLU A 14 0.609 -3.715 -10.612 1.00 0.00 C ATOM 205 O GLU A 14 1.375 -2.836 -10.245 1.00 0.00 O ATOM 206 CB GLU A 14 0.189 -4.126 -13.062 1.00 0.00 C ATOM 207 CG GLU A 14 0.741 -2.788 -13.730 1.00 0.00 C ATOM 208 CD GLU A 14 2.258 -2.892 -14.052 1.00 0.00 C ATOM 209 OE1 GLU A 14 3.040 -1.930 -14.054 1.00 0.00 O ATOM 210 OE2 GLU A 14 2.749 -4.064 -14.225 1.00 0.00 O ATOM 0 H GLU A 14 -0.356 -6.343 -12.097 1.00 0.00 H new ATOM 0 HA GLU A 14 1.954 -4.573 -11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.249 -4.923 -13.804 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.867 -3.979 -12.837 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.187 -2.583 -14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.568 -1.947 -13.058 1.00 0.00 H new ATOM 217 N GLN A 15 -0.546 -3.914 -9.964 1.00 0.00 N ATOM 218 CA GLN A 15 -0.981 -3.129 -8.834 1.00 0.00 C ATOM 219 C GLN A 15 -0.157 -3.326 -7.576 1.00 0.00 C ATOM 220 O GLN A 15 0.332 -2.378 -6.946 1.00 0.00 O ATOM 221 CB GLN A 15 -2.413 -3.182 -8.460 1.00 0.00 C ATOM 222 CG GLN A 15 -3.355 -2.805 -9.574 1.00 0.00 C ATOM 223 CD GLN A 15 -4.812 -3.225 -9.199 1.00 0.00 C ATOM 224 OE1 GLN A 15 -5.030 -4.370 -8.920 1.00 0.00 O ATOM 225 NE2 GLN A 15 -5.769 -2.291 -9.330 1.00 0.00 N ATOM 0 H GLN A 15 -1.208 -4.644 -10.227 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.810 -2.137 -9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.652 -4.190 -8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.582 -2.515 -7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.311 -1.731 -9.752 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.052 -3.294 -10.500 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.517 -1.332 -9.570 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.748 -2.541 -9.190 1.00 0.00 H new ATOM 234 N LEU A 16 0.211 -4.605 -7.421 1.00 0.00 N ATOM 235 CA LEU A 16 1.123 -5.129 -6.397 1.00 0.00 C ATOM 236 C LEU A 16 2.605 -4.725 -6.613 1.00 0.00 C ATOM 237 O LEU A 16 3.257 -4.358 -5.630 1.00 0.00 O ATOM 238 CB LEU A 16 0.915 -6.589 -6.259 1.00 0.00 C ATOM 239 CG LEU A 16 -0.289 -7.279 -5.464 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.282 -8.803 -5.281 1.00 0.00 C ATOM 241 CD2 LEU A 16 -0.610 -6.732 -4.076 1.00 0.00 C ATOM 0 H LEU A 16 -0.137 -5.339 -8.038 1.00 0.00 H new ATOM 0 HA LEU A 16 0.875 -4.658 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.864 -6.980 -7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.829 -6.979 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.044 -6.999 -6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.167 -9.106 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.287 -9.287 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.613 -9.100 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.445 -7.288 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.263 -6.838 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.878 -5.678 -4.153 1.00 0.00 H new ATOM 253 N ALA A 17 3.164 -4.848 -7.850 1.00 0.00 N ATOM 254 CA ALA A 17 4.499 -4.432 -8.218 1.00 0.00 C ATOM 255 C ALA A 17 4.843 -3.050 -7.693 1.00 0.00 C ATOM 256 O ALA A 17 5.995 -3.002 -7.244 1.00 0.00 O ATOM 257 CB ALA A 17 4.628 -4.527 -9.741 1.00 0.00 C ATOM 0 H ALA A 17 2.655 -5.260 -8.632 1.00 0.00 H new ATOM 0 HA ALA A 17 5.225 -5.097 -7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.629 -4.217 -10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.456 -5.556 -10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.891 -3.875 -10.210 1.00 0.00 H new ATOM 263 N ARG A 18 3.968 -2.007 -7.770 1.00 0.00 N ATOM 264 CA ARG A 18 4.141 -0.645 -7.112 1.00 0.00 C ATOM 265 C ARG A 18 3.961 -0.747 -5.560 1.00 0.00 C ATOM 266 O ARG A 18 4.805 -0.170 -4.896 1.00 0.00 O ATOM 267 CB ARG A 18 3.177 0.412 -7.692 1.00 0.00 C ATOM 268 CG ARG A 18 3.847 1.105 -8.914 1.00 0.00 C ATOM 269 CD ARG A 18 5.031 2.025 -8.560 1.00 0.00 C ATOM 270 NE ARG A 18 4.736 3.267 -7.904 1.00 0.00 N ATOM 271 CZ ARG A 18 4.437 4.383 -8.539 1.00 0.00 C ATOM 272 NH1 ARG A 18 4.267 4.415 -9.742 1.00 0.00 N ATOM 273 NH2 ARG A 18 4.393 5.577 -7.953 1.00 0.00 N ATOM 0 H ARG A 18 3.099 -2.075 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 18 5.157 -0.317 -7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.242 -0.059 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.930 1.152 -6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.195 0.337 -9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.094 1.691 -9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.714 1.463 -7.923 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.568 2.251 -9.481 1.00 0.00 H new ATOM 0 HE ARG A 18 4.759 3.287 -6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.355 3.561 -10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.037 5.296 -10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.597 5.664 -6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.155 6.405 -8.499 1.00 0.00 H new ATOM 287 N LEU A 19 2.938 -1.462 -5.046 1.00 0.00 N ATOM 288 CA LEU A 19 2.776 -1.656 -3.573 1.00 0.00 C ATOM 289 C LEU A 19 4.009 -2.219 -2.856 1.00 0.00 C ATOM 290 O LEU A 19 4.555 -1.545 -1.956 1.00 0.00 O ATOM 291 CB LEU A 19 1.494 -2.418 -3.176 1.00 0.00 C ATOM 292 CG LEU A 19 0.141 -1.697 -3.303 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.144 -2.568 -3.012 1.00 0.00 C ATOM 294 CD2 LEU A 19 -0.005 -0.622 -2.213 1.00 0.00 C ATOM 0 H LEU A 19 2.218 -1.912 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 19 2.662 -0.635 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.445 -3.323 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.605 -2.735 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 19 0.172 -1.356 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.036 -1.953 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.183 -3.404 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.102 -2.949 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.968 -0.124 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.054 -1.090 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.796 0.111 -2.315 1.00 0.00 H new ATOM 306 N LYS A 20 4.660 -3.330 -3.323 1.00 0.00 N ATOM 307 CA LYS A 20 5.874 -3.922 -2.710 1.00 0.00 C ATOM 308 C LYS A 20 7.040 -2.927 -2.662 1.00 0.00 C ATOM 309 O LYS A 20 7.870 -3.103 -1.761 1.00 0.00 O ATOM 310 CB LYS A 20 6.403 -5.023 -3.623 1.00 0.00 C ATOM 311 CG LYS A 20 5.535 -6.285 -3.861 1.00 0.00 C ATOM 312 CD LYS A 20 5.558 -7.217 -2.650 1.00 0.00 C ATOM 313 CE LYS A 20 4.756 -8.511 -2.925 1.00 0.00 C ATOM 314 NZ LYS A 20 4.501 -9.235 -1.662 1.00 0.00 N ATOM 0 H LYS A 20 4.344 -3.840 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 20 5.581 -4.253 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.605 -4.575 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.360 -5.353 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.508 -5.987 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.900 -6.818 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.589 -7.471 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.139 -6.703 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.810 -8.265 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.309 -9.150 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.811 -9.994 -1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.390 -9.646 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.123 -8.574 -0.953 1.00 0.00 H new ATOM 328 N ARG A 21 7.164 -1.915 -3.548 1.00 0.00 N ATOM 329 CA ARG A 21 8.240 -0.923 -3.648 1.00 0.00 C ATOM 330 C ARG A 21 8.107 0.039 -2.425 1.00 0.00 C ATOM 331 O ARG A 21 9.105 0.302 -1.792 1.00 0.00 O ATOM 332 CB ARG A 21 8.396 -0.225 -4.997 1.00 0.00 C ATOM 333 CG ARG A 21 8.794 -1.254 -6.096 1.00 0.00 C ATOM 334 CD ARG A 21 8.743 -0.703 -7.502 1.00 0.00 C ATOM 335 NE ARG A 21 8.668 -1.761 -8.528 1.00 0.00 N ATOM 336 CZ ARG A 21 7.983 -1.583 -9.691 1.00 0.00 C ATOM 337 NH1 ARG A 21 7.600 -0.453 -10.219 1.00 0.00 N ATOM 338 NH2 ARG A 21 7.724 -2.666 -10.316 1.00 0.00 N ATOM 0 H ARG A 21 6.455 -1.765 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 21 9.193 -1.451 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.462 0.266 -5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.156 0.553 -4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.803 -1.613 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.130 -2.116 -6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.878 -0.047 -7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.628 -0.092 -7.680 1.00 0.00 H new ATOM 0 HE ARG A 21 9.142 -2.649 -8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.812 0.427 -9.749 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.089 -0.450 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.027 -3.561 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.214 -2.636 -11.199 1.00 0.00 H new ATOM 352 N GLU A 22 6.893 0.355 -2.086 1.00 0.00 N ATOM 353 CA GLU A 22 6.619 1.218 -0.998 1.00 0.00 C ATOM 354 C GLU A 22 6.771 0.554 0.380 1.00 0.00 C ATOM 355 O GLU A 22 7.472 1.008 1.255 1.00 0.00 O ATOM 356 CB GLU A 22 5.231 1.980 -1.255 1.00 0.00 C ATOM 357 CG GLU A 22 5.361 3.183 -2.240 1.00 0.00 C ATOM 358 CD GLU A 22 6.542 4.103 -1.934 1.00 0.00 C ATOM 359 OE1 GLU A 22 7.385 4.204 -2.876 1.00 0.00 O ATOM 360 OE2 GLU A 22 6.576 4.722 -0.874 1.00 0.00 O ATOM 0 H GLU A 22 6.062 0.012 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 22 7.393 1.984 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.504 1.272 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.840 2.339 -0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.464 2.800 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.441 3.766 -2.211 1.00 0.00 H new ATOM 367 N PHE A 23 6.336 -0.733 0.388 1.00 0.00 N ATOM 368 CA PHE A 23 6.468 -1.569 1.632 1.00 0.00 C ATOM 369 C PHE A 23 7.969 -1.821 1.847 1.00 0.00 C ATOM 370 O PHE A 23 8.342 -1.811 2.987 1.00 0.00 O ATOM 371 CB PHE A 23 5.596 -2.851 1.619 1.00 0.00 C ATOM 372 CG PHE A 23 5.695 -3.711 2.848 1.00 0.00 C ATOM 373 CD1 PHE A 23 6.820 -4.529 3.089 1.00 0.00 C ATOM 374 CD2 PHE A 23 4.722 -3.467 3.754 1.00 0.00 C ATOM 375 CE1 PHE A 23 6.850 -5.278 4.283 1.00 0.00 C ATOM 376 CE2 PHE A 23 4.804 -4.192 4.955 1.00 0.00 C ATOM 377 CZ PHE A 23 5.836 -5.174 5.178 1.00 0.00 C ATOM 0 H PHE A 23 5.909 -1.206 -0.408 1.00 0.00 H new ATOM 0 HA PHE A 23 6.065 -1.032 2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.554 -2.560 1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.875 -3.451 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.633 -4.580 2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.929 -2.758 3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.682 -5.936 4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.075 -4.009 5.731 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.802 -5.817 6.045 1.00 0.00 H new ATOM 387 N ASN A 24 8.782 -2.081 0.815 1.00 0.00 N ATOM 388 CA ASN A 24 10.224 -2.284 1.117 1.00 0.00 C ATOM 389 C ASN A 24 11.015 -1.087 1.687 1.00 0.00 C ATOM 390 O ASN A 24 12.040 -1.219 2.429 1.00 0.00 O ATOM 391 CB ASN A 24 10.961 -3.054 0.020 1.00 0.00 C ATOM 392 CG ASN A 24 11.468 -2.348 -1.141 1.00 0.00 C ATOM 393 OD1 ASN A 24 11.726 -1.135 -1.059 1.00 0.00 O ATOM 394 ND2 ASN A 24 11.605 -3.050 -2.267 1.00 0.00 N ATOM 0 H ASN A 24 8.508 -2.154 -0.165 1.00 0.00 H new ATOM 0 HA ASN A 24 10.185 -2.933 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.806 -3.558 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 24 10.287 -3.831 -0.341 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.936 -2.592 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.379 -4.045 -2.279 1.00 0.00 H new ATOM 401 N GLU A 25 10.535 0.085 1.466 1.00 0.00 N ATOM 402 CA GLU A 25 11.163 1.239 1.906 1.00 0.00 C ATOM 403 C GLU A 25 10.673 1.691 3.264 1.00 0.00 C ATOM 404 O GLU A 25 11.463 1.853 4.191 1.00 0.00 O ATOM 405 CB GLU A 25 11.027 2.330 0.888 1.00 0.00 C ATOM 406 CG GLU A 25 11.887 3.574 1.175 1.00 0.00 C ATOM 407 CD GLU A 25 13.378 3.335 0.943 1.00 0.00 C ATOM 408 OE1 GLU A 25 14.077 3.409 1.986 1.00 0.00 O ATOM 409 OE2 GLU A 25 13.803 3.076 -0.248 1.00 0.00 O ATOM 0 H GLU A 25 9.667 0.252 0.957 1.00 0.00 H new ATOM 0 HA GLU A 25 12.220 1.003 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.297 1.934 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.981 2.631 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.553 4.394 0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.731 3.886 2.208 1.00 0.00 H new ATOM 416 N ASN A 26 9.372 1.639 3.509 1.00 0.00 N ATOM 417 CA ASN A 26 8.780 1.886 4.876 1.00 0.00 C ATOM 418 C ASN A 26 7.540 0.984 5.105 1.00 0.00 C ATOM 419 O ASN A 26 6.783 0.780 4.174 1.00 0.00 O ATOM 420 CB ASN A 26 8.413 3.382 5.081 1.00 0.00 C ATOM 421 CG ASN A 26 9.564 4.362 5.004 1.00 0.00 C ATOM 422 OD1 ASN A 26 10.681 4.154 5.441 1.00 0.00 O ATOM 423 ND2 ASN A 26 9.361 5.457 4.331 1.00 0.00 N ATOM 0 H ASN A 26 8.677 1.429 2.793 1.00 0.00 H new ATOM 0 HA ASN A 26 9.540 1.630 5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.673 3.661 4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.935 3.489 6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.127 6.114 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.436 5.659 3.952 1.00 0.00 H new ATOM 430 N ARG A 27 7.420 0.386 6.343 1.00 0.00 N ATOM 431 CA ARG A 27 6.356 -0.634 6.667 1.00 0.00 C ATOM 432 C ARG A 27 5.062 -0.066 7.170 1.00 0.00 C ATOM 433 O ARG A 27 4.317 -0.830 7.777 1.00 0.00 O ATOM 434 CB ARG A 27 6.980 -1.713 7.563 1.00 0.00 C ATOM 435 CG ARG A 27 8.256 -2.405 7.045 1.00 0.00 C ATOM 436 CD ARG A 27 8.644 -3.662 7.798 1.00 0.00 C ATOM 437 NE ARG A 27 9.729 -4.327 7.057 1.00 0.00 N ATOM 438 CZ ARG A 27 10.101 -5.573 7.236 1.00 0.00 C ATOM 439 NH1 ARG A 27 9.529 -6.432 8.058 1.00 0.00 N ATOM 440 NH2 ARG A 27 11.115 -6.045 6.546 1.00 0.00 N ATOM 0 H ARG A 27 8.042 0.592 7.125 1.00 0.00 H new ATOM 0 HA ARG A 27 6.027 -1.098 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.209 -1.261 8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.227 -2.481 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.116 -2.656 5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.083 -1.697 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.970 -3.414 8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.786 -4.327 7.894 1.00 0.00 H new ATOM 0 HE ARG A 27 10.227 -3.780 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.728 -6.144 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.888 -7.384 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.603 -5.445 5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.414 -7.011 6.676 1.00 0.00 H new ATOM 454 N TYR A 28 4.721 1.162 6.914 1.00 0.00 N ATOM 455 CA TYR A 28 3.579 1.949 7.540 1.00 0.00 C ATOM 456 C TYR A 28 3.222 3.077 6.562 1.00 0.00 C ATOM 457 O TYR A 28 3.878 3.147 5.492 1.00 0.00 O ATOM 458 CB TYR A 28 3.991 2.457 8.921 1.00 0.00 C ATOM 459 CG TYR A 28 4.155 1.505 10.066 1.00 0.00 C ATOM 460 CD1 TYR A 28 3.003 0.838 10.582 1.00 0.00 C ATOM 461 CD2 TYR A 28 5.410 1.109 10.555 1.00 0.00 C ATOM 462 CE1 TYR A 28 3.124 -0.243 11.508 1.00 0.00 C ATOM 463 CE2 TYR A 28 5.528 -0.015 11.388 1.00 0.00 C ATOM 464 CZ TYR A 28 4.389 -0.623 11.964 1.00 0.00 C ATOM 465 OH TYR A 28 4.596 -1.657 12.759 1.00 0.00 O ATOM 0 H TYR A 28 5.232 1.718 6.229 1.00 0.00 H new ATOM 0 HA TYR A 28 2.695 1.332 7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.939 2.981 8.801 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.252 3.199 9.224 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.021 1.157 10.266 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.291 1.673 10.288 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.243 -0.763 11.854 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.507 -0.423 11.593 1.00 0.00 H new ATOM 0 HH TYR A 28 5.554 -1.737 12.949 1.00 0.00 H new ATOM 475 N LEU A 29 2.239 3.977 6.720 1.00 0.00 N ATOM 476 CA LEU A 29 1.870 5.194 5.881 1.00 0.00 C ATOM 477 C LEU A 29 1.378 6.352 6.714 1.00 0.00 C ATOM 478 O LEU A 29 0.964 6.117 7.825 1.00 0.00 O ATOM 479 CB LEU A 29 0.916 4.814 4.685 1.00 0.00 C ATOM 480 CG LEU A 29 1.284 3.736 3.682 1.00 0.00 C ATOM 481 CD1 LEU A 29 0.049 3.439 2.801 1.00 0.00 C ATOM 482 CD2 LEU A 29 2.404 4.123 2.776 1.00 0.00 C ATOM 0 H LEU A 29 1.601 3.888 7.511 1.00 0.00 H new ATOM 0 HA LEU A 29 2.789 5.558 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.039 4.525 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.743 5.728 4.117 1.00 0.00 H new ATOM 0 HG LEU A 29 1.608 2.869 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.298 2.666 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.772 3.095 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.251 4.346 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.613 3.305 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.124 5.012 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.294 4.335 3.368 1.00 0.00 H new ATOM 494 N THR A 30 1.339 7.590 6.172 1.00 0.00 N ATOM 495 CA THR A 30 0.703 8.775 6.774 1.00 0.00 C ATOM 496 C THR A 30 -0.688 8.956 6.043 1.00 0.00 C ATOM 497 O THR A 30 -0.760 8.564 4.906 1.00 0.00 O ATOM 498 CB THR A 30 1.590 10.004 6.585 1.00 0.00 C ATOM 499 OG1 THR A 30 1.908 10.175 5.268 1.00 0.00 O ATOM 500 CG2 THR A 30 2.843 9.825 7.437 1.00 0.00 C ATOM 0 H THR A 30 1.767 7.795 5.269 1.00 0.00 H new ATOM 0 HA THR A 30 0.559 8.651 7.847 1.00 0.00 H new ATOM 0 HB THR A 30 1.057 10.900 6.903 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.475 10.968 5.169 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.492 10.693 7.317 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.559 9.726 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.374 8.928 7.119 1.00 0.00 H new ATOM 508 N GLU A 31 -1.602 9.765 6.626 1.00 0.00 N ATOM 509 CA GLU A 31 -2.900 10.160 5.977 1.00 0.00 C ATOM 510 C GLU A 31 -2.668 10.766 4.492 1.00 0.00 C ATOM 511 O GLU A 31 -3.310 10.278 3.587 1.00 0.00 O ATOM 512 CB GLU A 31 -3.670 11.227 6.736 1.00 0.00 C ATOM 513 CG GLU A 31 -4.146 10.926 8.196 1.00 0.00 C ATOM 514 CD GLU A 31 -5.206 9.826 8.414 1.00 0.00 C ATOM 515 OE1 GLU A 31 -6.101 10.019 9.265 1.00 0.00 O ATOM 516 OE2 GLU A 31 -5.154 8.745 7.835 1.00 0.00 O ATOM 0 H GLU A 31 -1.474 10.167 7.555 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.470 9.231 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.046 12.120 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.553 11.477 6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.267 10.660 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.539 11.853 8.614 1.00 0.00 H new ATOM 523 N ARG A 32 -1.719 11.749 4.300 1.00 0.00 N ATOM 524 CA ARG A 32 -1.395 12.348 2.955 1.00 0.00 C ATOM 525 C ARG A 32 -0.778 11.322 1.962 1.00 0.00 C ATOM 526 O ARG A 32 -1.038 11.370 0.809 1.00 0.00 O ATOM 527 CB ARG A 32 -0.576 13.659 3.049 1.00 0.00 C ATOM 528 CG ARG A 32 -0.406 14.511 1.820 1.00 0.00 C ATOM 529 CD ARG A 32 -1.559 14.743 0.835 1.00 0.00 C ATOM 530 NE ARG A 32 -2.842 15.246 1.333 1.00 0.00 N ATOM 531 CZ ARG A 32 -3.880 15.547 0.525 1.00 0.00 C ATOM 532 NH1 ARG A 32 -3.768 15.229 -0.761 1.00 0.00 N0 ATOM 533 NH2 ARG A 32 -4.994 15.966 1.028 1.00 0.00 N ATOM 0 H ARG A 32 -1.166 12.141 5.062 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.357 12.633 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.038 14.280 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.420 13.398 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.078 15.493 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.416 14.080 1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.206 15.442 0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.753 13.797 0.330 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.956 15.375 2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.921 14.775 -1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.529 15.439 -1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.090 16.070 2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.777 16.193 0.415 1.00 0.00 H new ATOM 547 N ARG A 33 0.042 10.408 2.419 1.00 0.00 N ATOM 548 CA ARG A 33 0.715 9.469 1.527 1.00 0.00 C ATOM 549 C ARG A 33 -0.262 8.347 1.040 1.00 0.00 C ATOM 550 O ARG A 33 -0.250 7.977 -0.158 1.00 0.00 O ATOM 551 CB ARG A 33 2.002 8.921 2.213 1.00 0.00 C ATOM 552 CG ARG A 33 3.006 8.096 1.435 1.00 0.00 C ATOM 553 CD ARG A 33 3.768 8.815 0.356 1.00 0.00 C ATOM 554 NE ARG A 33 4.836 7.975 -0.235 1.00 0.00 N ATOM 555 CZ ARG A 33 5.749 8.290 -1.087 1.00 0.00 C ATOM 556 NH1 ARG A 33 5.792 9.496 -1.673 1.00 0.00 N ATOM 557 NH2 ARG A 33 6.669 7.465 -1.464 1.00 0.00 N ATOM 0 H ARG A 33 0.266 10.286 3.407 1.00 0.00 H new ATOM 0 HA ARG A 33 1.032 9.988 0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.538 9.779 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.680 8.317 3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.724 7.678 2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.480 7.257 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.077 9.125 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.209 9.722 0.769 1.00 0.00 H new ATOM 0 HE ARG A 33 4.850 7.005 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.087 10.198 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.530 9.711 -2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.693 6.519 -1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.372 7.760 -2.142 1.00 0.00 H new ATOM 571 N ARG A 34 -1.209 7.862 1.884 1.00 0.00 N ATOM 572 CA ARG A 34 -2.369 7.005 1.537 1.00 0.00 C ATOM 573 C ARG A 34 -3.229 7.521 0.354 1.00 0.00 C ATOM 574 O ARG A 34 -3.637 6.791 -0.577 1.00 0.00 O ATOM 575 CB ARG A 34 -3.321 6.570 2.716 1.00 0.00 C ATOM 576 CG ARG A 34 -2.766 5.506 3.644 1.00 0.00 C ATOM 577 CD ARG A 34 -3.587 5.151 4.898 1.00 0.00 C ATOM 578 NE ARG A 34 -3.559 6.111 6.015 1.00 0.00 N ATOM 579 CZ ARG A 34 -2.719 6.195 7.005 1.00 0.00 C ATOM 580 NH1 ARG A 34 -1.966 5.215 7.309 1.00 0.00 N ATOM 581 NH2 ARG A 34 -2.848 7.130 7.901 1.00 0.00 N ATOM 0 H ARG A 34 -1.180 8.072 2.882 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.836 6.106 1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.565 7.452 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.255 6.204 2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.628 4.594 3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.777 5.828 3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.625 5.016 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.236 4.189 5.271 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.303 6.808 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.016 4.348 6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.313 5.296 8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.611 7.803 7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.186 7.190 8.675 1.00 0.00 H new ATOM 595 N GLN A 35 -3.493 8.837 0.289 1.00 0.00 N ATOM 596 CA GLN A 35 -4.385 9.406 -0.725 1.00 0.00 C ATOM 597 C GLN A 35 -3.704 9.309 -2.069 1.00 0.00 C ATOM 598 O GLN A 35 -4.395 8.962 -3.058 1.00 0.00 O ATOM 599 CB GLN A 35 -4.742 10.794 -0.212 1.00 0.00 C ATOM 600 CG GLN A 35 -4.123 12.064 -0.736 1.00 0.00 C ATOM 601 CD GLN A 35 -4.502 12.386 -2.157 1.00 0.00 C ATOM 602 OE1 GLN A 35 -5.655 12.205 -2.549 1.00 0.00 O ATOM 603 NE2 GLN A 35 -3.666 13.017 -2.930 1.00 0.00 N ATOM 0 H GLN A 35 -3.098 9.525 0.930 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.327 8.882 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.819 10.901 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.552 10.782 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.420 12.893 -0.094 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.038 11.982 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.707 13.176 -2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.970 13.352 -3.844 1.00 0.00 H new ATOM 612 N GLN A 36 -2.335 9.515 -2.182 1.00 0.00 N ATOM 613 CA GLN A 36 -1.524 9.389 -3.413 1.00 0.00 C ATOM 614 C GLN A 36 -1.589 8.021 -4.048 1.00 0.00 C ATOM 615 O GLN A 36 -2.176 8.003 -5.148 1.00 0.00 O ATOM 616 CB GLN A 36 -0.140 9.744 -3.017 1.00 0.00 C ATOM 617 CG GLN A 36 0.731 10.333 -4.188 1.00 0.00 C ATOM 618 CD GLN A 36 2.223 10.586 -3.835 1.00 0.00 C ATOM 619 OE1 GLN A 36 2.854 9.848 -3.204 1.00 0.00 O ATOM 620 NE2 GLN A 36 2.874 11.688 -4.051 1.00 0.00 N ATOM 0 H GLN A 36 -1.769 9.782 -1.376 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.914 10.051 -4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.181 10.472 -2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.353 8.855 -2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.685 9.648 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.286 11.273 -4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.444 12.436 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.815 11.806 -3.677 1.00 0.00 H new ATOM 629 N LEU A 37 -1.392 6.904 -3.294 1.00 0.00 N ATOM 630 CA LEU A 37 -1.562 5.522 -3.738 1.00 0.00 C ATOM 631 C LEU A 37 -3.018 5.189 -4.163 1.00 0.00 C ATOM 632 O LEU A 37 -3.225 4.534 -5.230 1.00 0.00 O ATOM 633 CB LEU A 37 -1.045 4.510 -2.715 1.00 0.00 C ATOM 634 CG LEU A 37 0.491 4.429 -2.508 1.00 0.00 C ATOM 635 CD1 LEU A 37 0.712 3.677 -1.175 1.00 0.00 C ATOM 636 CD2 LEU A 37 1.331 3.811 -3.644 1.00 0.00 C ATOM 0 H LEU A 37 -1.098 6.963 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.944 5.433 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.503 4.739 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.398 3.522 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 37 0.862 5.454 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.781 3.591 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.237 4.228 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.274 2.681 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.384 3.819 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.009 2.784 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.194 4.393 -4.556 1.00 0.00 H new ATOM 648 N SER A 38 -4.012 5.746 -3.458 1.00 0.00 N ATOM 649 CA SER A 38 -5.435 5.683 -3.814 1.00 0.00 C ATOM 650 C SER A 38 -5.709 6.346 -5.111 1.00 0.00 C ATOM 651 O SER A 38 -6.469 5.771 -5.920 1.00 0.00 O ATOM 652 CB SER A 38 -6.263 6.320 -2.661 1.00 0.00 C ATOM 653 OG SER A 38 -7.605 6.529 -3.066 1.00 0.00 O ATOM 0 H SER A 38 -3.842 6.268 -2.599 1.00 0.00 H new ATOM 0 HA SER A 38 -5.727 4.640 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.239 5.670 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.815 7.269 -2.365 1.00 0.00 H new ATOM 0 HG SER A 38 -8.034 5.664 -3.235 1.00 0.00 H new ATOM 659 N SER A 39 -5.167 7.508 -5.463 1.00 0.00 N ATOM 660 CA SER A 39 -5.269 8.170 -6.849 1.00 0.00 C ATOM 661 C SER A 39 -4.521 7.303 -7.940 1.00 0.00 C ATOM 662 O SER A 39 -5.062 7.137 -9.042 1.00 0.00 O ATOM 663 CB SER A 39 -4.794 9.674 -6.943 1.00 0.00 C ATOM 664 OG SER A 39 -5.419 10.383 -5.847 1.00 0.00 O ATOM 0 H SER A 39 -4.621 8.066 -4.806 1.00 0.00 H new ATOM 0 HA SER A 39 -6.341 8.204 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.708 9.741 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.082 10.111 -7.899 1.00 0.00 H new ATOM 0 HG SER A 39 -5.113 10.005 -4.996 1.00 0.00 H new ATOM 670 N GLU A 40 -3.316 6.816 -7.696 1.00 0.00 N ATOM 671 CA GLU A 40 -2.407 6.325 -8.801 1.00 0.00 C ATOM 672 C GLU A 40 -2.654 4.828 -9.172 1.00 0.00 C ATOM 673 O GLU A 40 -2.409 4.510 -10.349 1.00 0.00 O ATOM 674 CB GLU A 40 -0.924 6.763 -8.465 1.00 0.00 C ATOM 675 CG GLU A 40 0.128 6.604 -9.556 1.00 0.00 C ATOM 676 CD GLU A 40 -0.118 7.566 -10.729 1.00 0.00 C ATOM 677 OE1 GLU A 40 -0.815 8.642 -10.642 1.00 0.00 O ATOM 678 OE2 GLU A 40 0.445 7.296 -11.877 1.00 0.00 O ATOM 0 H GLU A 40 -2.917 6.737 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.647 6.805 -9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.943 7.812 -8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.595 6.192 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.117 6.787 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.122 5.577 -9.921 1.00 0.00 H new ATOM 685 N LEU A 41 -3.047 3.974 -8.153 1.00 0.00 N ATOM 686 CA LEU A 41 -3.567 2.671 -8.473 1.00 0.00 C ATOM 687 C LEU A 41 -5.149 2.583 -8.596 1.00 0.00 C ATOM 688 O LEU A 41 -5.536 1.610 -9.263 1.00 0.00 O ATOM 689 CB LEU A 41 -3.036 1.621 -7.463 1.00 0.00 C ATOM 690 CG LEU A 41 -1.574 1.860 -7.063 1.00 0.00 C ATOM 691 CD1 LEU A 41 -1.128 1.002 -5.836 1.00 0.00 C ATOM 692 CD2 LEU A 41 -0.540 1.548 -8.144 1.00 0.00 C ATOM 0 H LEU A 41 -3.000 4.192 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.200 2.453 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.659 1.638 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.130 0.626 -7.898 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.585 2.929 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.085 1.216 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.750 1.247 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.237 -0.056 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.460 1.750 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.615 0.498 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.727 2.173 -9.017 1.00 0.00 H new ATOM 704 N GLY A 42 -5.962 3.563 -8.032 1.00 0.00 N ATOM 705 CA GLY A 42 -7.433 3.461 -8.131 1.00 0.00 C ATOM 706 C GLY A 42 -7.981 2.528 -7.070 1.00 0.00 C ATOM 707 O GLY A 42 -8.831 1.655 -7.349 1.00 0.00 O ATOM 0 H GLY A 42 -5.619 4.384 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.879 4.449 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.711 3.097 -9.120 1.00 0.00 H new ATOM 711 N LEU A 43 -7.649 2.658 -5.790 1.00 0.00 N ATOM 712 CA LEU A 43 -8.145 1.853 -4.589 1.00 0.00 C ATOM 713 C LEU A 43 -8.663 2.789 -3.489 1.00 0.00 C ATOM 714 O LEU A 43 -8.220 3.931 -3.460 1.00 0.00 O ATOM 715 CB LEU A 43 -7.023 0.971 -4.003 1.00 0.00 C ATOM 716 CG LEU A 43 -6.226 0.094 -4.971 1.00 0.00 C ATOM 717 CD1 LEU A 43 -5.014 -0.530 -4.200 1.00 0.00 C ATOM 718 CD2 LEU A 43 -6.987 -1.030 -5.638 1.00 0.00 C ATOM 0 H LEU A 43 -6.979 3.371 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.954 1.213 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.320 1.624 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.467 0.320 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.931 0.765 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.436 -1.158 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.379 0.267 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.382 -1.134 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.318 -1.580 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.381 -1.704 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.812 -0.617 -6.218 1.00 0.00 H new ATOM 730 N ASN A 44 -9.494 2.415 -2.525 1.00 0.00 N ATOM 731 CA ASN A 44 -9.924 3.146 -1.286 1.00 0.00 C ATOM 732 C ASN A 44 -8.914 3.111 -0.122 1.00 0.00 C ATOM 733 O ASN A 44 -7.987 2.247 -0.092 1.00 0.00 O ATOM 734 CB ASN A 44 -11.476 2.713 -0.917 1.00 0.00 C ATOM 735 CG ASN A 44 -11.596 1.374 -0.152 1.00 0.00 C ATOM 736 OD1 ASN A 44 -10.808 0.787 0.521 1.00 0.00 O ATOM 737 ND2 ASN A 44 -12.813 0.924 -0.197 1.00 0.00 N ATOM 0 H ASN A 44 -9.944 1.501 -2.573 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.928 4.215 -1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.929 3.503 -0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -12.051 2.644 -1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.069 0.092 0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.513 1.403 -0.764 1.00 0.00 H new ATOM 744 N GLU A 45 -8.930 4.143 0.756 1.00 0.00 N ATOM 745 CA GLU A 45 -7.952 4.290 1.871 1.00 0.00 C ATOM 746 C GLU A 45 -8.033 3.158 2.858 1.00 0.00 C ATOM 747 O GLU A 45 -6.963 2.818 3.425 1.00 0.00 O ATOM 748 CB GLU A 45 -8.186 5.528 2.744 1.00 0.00 C ATOM 749 CG GLU A 45 -8.339 6.780 1.861 1.00 0.00 C ATOM 750 CD GLU A 45 -9.763 7.213 1.717 1.00 0.00 C ATOM 751 OE1 GLU A 45 -10.578 6.346 1.281 1.00 0.00 O ATOM 752 OE2 GLU A 45 -10.089 8.338 2.086 1.00 0.00 O ATOM 0 H GLU A 45 -9.617 4.896 0.715 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.999 4.338 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.081 5.390 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.351 5.659 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.757 7.596 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.924 6.577 0.874 1.00 0.00 H new ATOM 759 N ALA A 46 -9.198 2.458 2.933 1.00 0.00 N ATOM 760 CA ALA A 46 -9.314 1.288 3.728 1.00 0.00 C ATOM 761 C ALA A 46 -8.577 0.138 3.128 1.00 0.00 C ATOM 762 O ALA A 46 -7.891 -0.609 3.856 1.00 0.00 O ATOM 763 CB ALA A 46 -10.791 0.913 3.941 1.00 0.00 C ATOM 0 H ALA A 46 -10.051 2.716 2.436 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.863 1.511 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.853 0.013 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.305 1.731 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.262 0.728 2.976 1.00 0.00 H new ATOM 769 N GLN A 47 -8.552 -0.060 1.824 1.00 0.00 N ATOM 770 CA GLN A 47 -7.818 -1.214 1.144 1.00 0.00 C ATOM 771 C GLN A 47 -6.265 -1.055 1.143 1.00 0.00 C ATOM 772 O GLN A 47 -5.615 -2.062 1.307 1.00 0.00 O ATOM 773 CB GLN A 47 -8.305 -1.328 -0.325 1.00 0.00 C ATOM 774 CG GLN A 47 -9.634 -2.032 -0.244 1.00 0.00 C ATOM 775 CD GLN A 47 -9.564 -3.508 -0.538 1.00 0.00 C ATOM 776 OE1 GLN A 47 -9.205 -4.305 0.350 1.00 0.00 O ATOM 777 NE2 GLN A 47 -9.706 -3.915 -1.758 1.00 0.00 N ATOM 0 H GLN A 47 -9.030 0.555 1.166 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.047 -2.111 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.407 -0.345 -0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.597 -1.891 -0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.049 -1.890 0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.325 -1.564 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.000 -3.261 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.524 -4.890 -1.995 1.00 0.00 H new ATOM 786 N ILE A 48 -5.843 0.168 1.189 1.00 0.00 N ATOM 787 CA ILE A 48 -4.422 0.376 1.266 1.00 0.00 C ATOM 788 C ILE A 48 -3.975 0.276 2.754 1.00 0.00 C ATOM 789 O ILE A 48 -2.888 -0.261 2.980 1.00 0.00 O ATOM 790 CB ILE A 48 -3.978 1.695 0.589 1.00 0.00 C ATOM 791 CG1 ILE A 48 -4.399 1.780 -0.912 1.00 0.00 C ATOM 792 CG2 ILE A 48 -2.433 1.989 0.601 1.00 0.00 C ATOM 793 CD1 ILE A 48 -4.654 3.246 -1.286 1.00 0.00 C ATOM 0 H ILE A 48 -6.424 1.006 1.176 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.918 -0.407 0.700 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.490 2.430 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.616 1.362 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.298 1.188 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.239 2.937 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.081 2.044 1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.906 1.189 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.948 3.308 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.451 3.648 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.744 3.825 -1.130 1.00 0.00 H new ATOM 805 N LYS A 49 -4.750 0.720 3.761 1.00 0.00 N ATOM 806 CA LYS A 49 -4.624 0.511 5.183 1.00 0.00 C ATOM 807 C LYS A 49 -4.652 -0.940 5.647 1.00 0.00 C ATOM 808 O LYS A 49 -3.980 -1.278 6.591 1.00 0.00 O ATOM 809 CB LYS A 49 -5.624 1.361 6.016 1.00 0.00 C ATOM 810 CG LYS A 49 -5.026 1.787 7.392 1.00 0.00 C ATOM 811 CD LYS A 49 -6.084 2.734 7.993 1.00 0.00 C ATOM 812 CE LYS A 49 -5.503 3.374 9.241 1.00 0.00 C ATOM 813 NZ LYS A 49 -6.526 4.015 9.969 1.00 0.00 N ATOM 0 H LYS A 49 -5.566 1.297 3.555 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.611 0.863 5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.902 2.251 5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.537 0.789 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.854 0.924 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.066 2.289 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.362 3.500 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.991 2.182 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.024 2.616 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.733 4.095 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.123 4.452 10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.964 4.750 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.246 3.317 10.244 1.00 0.00 H new ATOM 827 N ILE A 50 -5.326 -1.844 4.887 1.00 0.00 N ATOM 828 CA ILE A 50 -5.577 -3.272 5.229 1.00 0.00 C ATOM 829 C ILE A 50 -4.420 -4.080 4.594 1.00 0.00 C ATOM 830 O ILE A 50 -3.977 -5.053 5.204 1.00 0.00 O ATOM 831 CB ILE A 50 -7.021 -3.739 5.017 1.00 0.00 C ATOM 832 CG1 ILE A 50 -7.920 -2.932 6.028 1.00 0.00 C ATOM 833 CG2 ILE A 50 -7.154 -5.282 5.185 1.00 0.00 C ATOM 834 CD1 ILE A 50 -9.433 -3.002 5.697 1.00 0.00 C ATOM 0 H ILE A 50 -5.725 -1.589 3.984 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.541 -3.454 6.303 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.350 -3.540 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.758 -3.317 7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.604 -1.889 6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.191 -5.577 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.519 -5.784 4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.844 -5.567 6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.993 -2.425 6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.607 -2.590 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.763 -4.040 5.722 1.00 0.00 H new ATOM 846 N TRP A 51 -3.943 -3.615 3.396 1.00 0.00 N ATOM 847 CA TRP A 51 -2.834 -4.253 2.697 1.00 0.00 C ATOM 848 C TRP A 51 -1.502 -4.060 3.436 1.00 0.00 C ATOM 849 O TRP A 51 -0.804 -4.989 3.778 1.00 0.00 O ATOM 850 CB TRP A 51 -2.771 -3.700 1.249 1.00 0.00 C ATOM 851 CG TRP A 51 -1.799 -4.470 0.375 1.00 0.00 C ATOM 852 CD1 TRP A 51 -2.172 -5.581 -0.339 1.00 0.00 C ATOM 853 CD2 TRP A 51 -0.390 -4.364 0.337 1.00 0.00 C ATOM 854 NE1 TRP A 51 -1.048 -6.223 -0.756 1.00 0.00 N ATOM 855 CE2 TRP A 51 0.023 -5.361 -0.568 1.00 0.00 C ATOM 856 CE3 TRP A 51 0.640 -3.484 0.758 1.00 0.00 C ATOM 857 CZ2 TRP A 51 1.362 -5.495 -0.967 1.00 0.00 C ATOM 858 CZ3 TRP A 51 1.957 -3.584 0.340 1.00 0.00 C ATOM 859 CH2 TRP A 51 2.334 -4.610 -0.571 1.00 0.00 C ATOM 0 H TRP A 51 -4.325 -2.801 2.915 1.00 0.00 H new ATOM 0 HA TRP A 51 -3.006 -5.329 2.665 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -3.765 -3.741 0.804 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -2.477 -2.651 1.277 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.187 -5.893 -0.536 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.001 -7.168 -1.138 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.383 -2.690 1.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.637 -6.321 -1.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.695 -2.885 0.705 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.347 -4.690 -0.937 1.00 0.00 H new ATOM 870 N PHE A 52 -1.201 -2.866 3.905 1.00 0.00 N ATOM 871 CA PHE A 52 -0.061 -2.455 4.780 1.00 0.00 C ATOM 872 C PHE A 52 -0.178 -3.084 6.171 1.00 0.00 C ATOM 873 O PHE A 52 0.839 -3.060 6.867 1.00 0.00 O ATOM 874 CB PHE A 52 0.146 -0.963 4.828 1.00 0.00 C ATOM 875 CG PHE A 52 1.122 -0.562 3.709 1.00 0.00 C ATOM 876 CD1 PHE A 52 2.422 -0.278 4.074 1.00 0.00 C ATOM 877 CD2 PHE A 52 0.635 -0.171 2.439 1.00 0.00 C ATOM 878 CE1 PHE A 52 3.285 0.277 3.158 1.00 0.00 C ATOM 879 CE2 PHE A 52 1.567 0.355 1.493 1.00 0.00 C ATOM 880 CZ PHE A 52 2.901 0.500 1.838 1.00 0.00 C ATOM 0 H PHE A 52 -1.789 -2.065 3.676 1.00 0.00 H new ATOM 0 HA PHE A 52 0.846 -2.848 4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.805 -0.446 4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.543 -0.668 5.799 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.761 -0.491 5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.412 -0.268 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.283 0.546 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.231 0.640 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.632 0.782 1.095 1.00 0.00 H new ATOM 890 N GLN A 53 -1.375 -3.422 6.658 1.00 0.00 N ATOM 891 CA GLN A 53 -1.542 -4.285 7.843 1.00 0.00 C ATOM 892 C GLN A 53 -1.232 -5.791 7.498 1.00 0.00 C ATOM 893 O GLN A 53 -0.186 -6.280 7.968 1.00 0.00 O ATOM 894 CB GLN A 53 -3.003 -4.157 8.281 1.00 0.00 C ATOM 895 CG GLN A 53 -3.306 -2.990 9.223 1.00 0.00 C ATOM 896 CD GLN A 53 -4.810 -2.669 9.301 1.00 0.00 C ATOM 897 OE1 GLN A 53 -5.641 -2.978 8.535 1.00 0.00 O ATOM 898 NE2 GLN A 53 -5.172 -2.147 10.490 1.00 0.00 N ATOM 0 H GLN A 53 -2.255 -3.110 6.248 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.853 -3.978 8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.624 -4.054 7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.300 -5.084 8.771 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.936 -3.227 10.221 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.766 -2.105 8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.458 -1.874 11.166 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.160 -2.025 10.714 1.00 0.00 H new ATOM 907 N ASN A 54 -1.891 -6.506 6.561 1.00 0.00 N ATOM 908 CA ASN A 54 -1.814 -7.956 6.551 1.00 0.00 C ATOM 909 C ASN A 54 -0.464 -8.343 5.875 1.00 0.00 C ATOM 910 O ASN A 54 -0.092 -9.504 6.024 1.00 0.00 O ATOM 911 CB ASN A 54 -3.001 -8.587 5.725 1.00 0.00 C ATOM 912 CG ASN A 54 -3.254 -8.290 4.282 1.00 0.00 C ATOM 913 OD1 ASN A 54 -2.452 -8.530 3.398 1.00 0.00 O ATOM 914 ND2 ASN A 54 -4.433 -7.828 3.999 1.00 0.00 N ATOM 0 H ASN A 54 -2.467 -6.101 5.823 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.879 -8.332 7.572 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.885 -9.668 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.916 -8.327 6.256 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.696 -7.662 3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.097 -7.631 4.748 1.00 0.00 H new ATOM 921 N GLU A 55 0.266 -7.352 5.222 1.00 0.00 N ATOM 922 CA GLU A 55 1.567 -7.680 4.595 1.00 0.00 C ATOM 923 C GLU A 55 2.585 -7.989 5.755 1.00 0.00 C ATOM 924 O GLU A 55 3.504 -8.825 5.527 1.00 0.00 O ATOM 925 CB GLU A 55 2.110 -6.546 3.682 1.00 0.00 C ATOM 926 CG GLU A 55 3.257 -6.996 2.734 1.00 0.00 C ATOM 927 CD GLU A 55 2.897 -7.781 1.489 1.00 0.00 C ATOM 928 OE1 GLU A 55 2.078 -8.724 1.646 1.00 0.00 O ATOM 929 OE2 GLU A 55 3.536 -7.667 0.469 1.00 0.00 O ATOM 0 H GLU A 55 -0.026 -6.379 5.132 1.00 0.00 H new ATOM 0 HA GLU A 55 1.433 -8.542 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.290 -6.152 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.469 -5.729 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.797 -6.103 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.952 -7.599 3.317 1.00 0.00 H new ATOM 936 N ARG A 56 2.436 -7.385 6.940 1.00 0.00 N ATOM 937 CA ARG A 56 3.508 -7.593 7.881 1.00 0.00 C ATOM 938 C ARG A 56 3.674 -9.009 8.409 1.00 0.00 C ATOM 939 O ARG A 56 4.785 -9.467 8.651 1.00 0.00 O ATOM 940 CB ARG A 56 3.272 -6.548 9.059 1.00 0.00 C ATOM 941 CG ARG A 56 3.975 -5.146 8.808 1.00 0.00 C ATOM 942 CD ARG A 56 4.036 -4.213 10.085 1.00 0.00 C ATOM 943 NE ARG A 56 4.698 -4.818 11.253 1.00 0.00 N ATOM 944 CZ ARG A 56 4.116 -5.239 12.385 1.00 0.00 C ATOM 945 NH1 ARG A 56 2.850 -5.177 12.674 1.00 0.00 N ATOM 946 NH2 ARG A 56 4.862 -5.785 13.274 1.00 0.00 N ATOM 0 H ARG A 56 1.655 -6.802 7.241 1.00 0.00 H new ATOM 0 HA ARG A 56 4.451 -7.435 7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.201 -6.391 9.187 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.646 -6.972 9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.990 -5.320 8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.443 -4.622 8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.559 -3.293 9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.020 -3.933 10.364 1.00 0.00 H new ATOM 0 HE ARG A 56 5.710 -4.929 11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.193 -4.776 12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.514 -5.529 13.570 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.863 -5.887 13.107 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.454 -6.117 14.148 1.00 0.00 H new