USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 479 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 31 THR OG1 : rot -138:sc= 0.548 USER MOD Set 1.2: A 33 ASN : amide:sc= 0.27 K(o=-2.8,f=-6.4!) USER MOD Set 1.3: A 34 CYS SG : rot 56:sc= 0.678 USER MOD Set 1.4: A 37 GLN : amide:sc= -4.25 K(o=-2.8,f=-5.6!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -137:sc= 0.886 (180deg=0) USER MOD Set 2.2: A 25 HIS : no HE2:sc= -0.945 K(o=-0.059,f=-11!) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 22 ASN : amide:sc= -1.15 K(o=-1.2,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.686 K(o=-0.69,f=-5.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0418 F(o=-0.78,f=-0.042) USER MOD Single : A 46 ASN : amide:sc= -0.699 K(o=-0.7,f=-2!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.4) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -6.983 -7.836 -4.690 1.00 0.00 N ATOM 152 CA PRO A 10 -5.701 -8.520 -4.952 1.00 0.00 C ATOM 153 C PRO A 10 -4.779 -8.519 -3.738 1.00 0.00 C ATOM 154 O PRO A 10 -4.086 -9.500 -3.464 1.00 0.00 O ATOM 155 CB PRO A 10 -5.104 -7.692 -6.082 1.00 0.00 C ATOM 156 CG PRO A 10 -5.728 -6.307 -6.000 1.00 0.00 C ATOM 157 CD PRO A 10 -7.004 -6.428 -5.162 1.00 0.00 C ATOM 0 HA PRO A 10 -5.836 -9.574 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.020 -7.632 -5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.312 -8.152 -7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.035 -5.600 -5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.958 -5.930 -6.997 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.003 -5.726 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.894 -6.218 -5.755 1.00 0.00 H new ATOM 165 N CYS A 11 -4.781 -7.407 -3.011 1.00 0.00 N ATOM 166 CA CYS A 11 -3.943 -7.285 -1.822 1.00 0.00 C ATOM 167 C CYS A 11 -4.462 -8.190 -0.713 1.00 0.00 C ATOM 168 O CYS A 11 -5.665 -8.412 -0.577 1.00 0.00 O ATOM 169 CB CYS A 11 -3.925 -5.841 -1.317 1.00 0.00 C ATOM 170 SG CYS A 11 -2.813 -4.849 -2.345 1.00 0.00 S ATOM 0 H CYS A 11 -5.347 -6.585 -3.220 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.931 -7.583 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.931 -5.423 -1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.597 -5.813 -0.278 1.00 0.00 H new ATOM 175 N ARG A 12 -3.532 -8.704 0.079 1.00 0.00 N ATOM 176 CA ARG A 12 -3.880 -9.586 1.188 1.00 0.00 C ATOM 177 C ARG A 12 -3.108 -9.182 2.437 1.00 0.00 C ATOM 178 O ARG A 12 -3.672 -9.051 3.523 1.00 0.00 O ATOM 179 CB ARG A 12 -3.550 -11.040 0.844 1.00 0.00 C ATOM 180 CG ARG A 12 -4.373 -11.477 -0.371 1.00 0.00 C ATOM 181 CD ARG A 12 -4.577 -12.992 -0.331 1.00 0.00 C ATOM 182 NE ARG A 12 -4.854 -13.509 -1.668 1.00 0.00 N ATOM 183 CZ ARG A 12 -4.727 -14.805 -1.941 1.00 0.00 C ATOM 184 NH1 ARG A 12 -3.553 -15.299 -2.226 1.00 0.00 N ATOM 185 NH2 ARG A 12 -5.775 -15.582 -1.926 1.00 0.00 N ATOM 0 H ARG A 12 -2.533 -8.527 -0.024 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.951 -9.496 1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.486 -11.142 0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.768 -11.685 1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.338 -10.969 -0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.862 -11.192 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.687 -13.474 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.403 -13.236 0.337 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.149 -12.867 -2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.734 -14.692 -2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.455 -16.292 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.693 -15.196 -1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.676 -16.575 -2.135 1.00 0.00 H new ATOM 199 N PHE A 13 -1.808 -8.975 2.261 1.00 0.00 N ATOM 200 CA PHE A 13 -0.950 -8.570 3.370 1.00 0.00 C ATOM 201 C PHE A 13 -0.361 -7.193 3.086 1.00 0.00 C ATOM 202 O PHE A 13 0.102 -6.918 1.979 1.00 0.00 O ATOM 203 CB PHE A 13 0.193 -9.569 3.569 1.00 0.00 C ATOM 204 CG PHE A 13 -0.367 -10.968 3.679 1.00 0.00 C ATOM 205 CD1 PHE A 13 -0.840 -11.438 4.910 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.414 -11.794 2.550 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.359 -12.735 5.012 1.00 0.00 C ATOM 208 CE2 PHE A 13 -0.934 -13.090 2.652 1.00 0.00 C ATOM 209 CZ PHE A 13 -1.407 -13.560 3.883 1.00 0.00 C ATOM 0 H PHE A 13 -1.327 -9.080 1.368 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.555 -8.540 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.890 -9.510 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.754 -9.320 4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.805 -10.800 5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.049 -11.432 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.722 -13.098 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.970 -13.727 1.781 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.809 -14.559 3.961 1.00 0.00 H new ATOM 219 N PHE A 14 -0.392 -6.326 4.092 1.00 0.00 N ATOM 220 CA PHE A 14 0.134 -4.974 3.925 1.00 0.00 C ATOM 221 C PHE A 14 1.408 -4.778 4.734 1.00 0.00 C ATOM 222 O PHE A 14 1.480 -5.141 5.909 1.00 0.00 O ATOM 223 CB PHE A 14 -0.893 -3.936 4.374 1.00 0.00 C ATOM 224 CG PHE A 14 -1.912 -3.736 3.285 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.740 -4.792 2.891 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.025 -2.489 2.669 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.683 -4.597 1.874 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.966 -2.291 1.655 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.797 -3.346 1.256 1.00 0.00 C ATOM 0 H PHE A 14 -0.769 -6.529 5.018 1.00 0.00 H new ATOM 0 HA PHE A 14 0.354 -4.841 2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.383 -4.266 5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.397 -2.992 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.652 -5.756 3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.384 -1.676 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.322 -5.412 1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.053 -1.325 1.179 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.525 -3.194 0.473 1.00 0.00 H new ATOM 239 N GLU A 15 2.408 -4.185 4.093 1.00 0.00 N ATOM 240 CA GLU A 15 3.677 -3.927 4.762 1.00 0.00 C ATOM 241 C GLU A 15 3.741 -2.470 5.218 1.00 0.00 C ATOM 242 O GLU A 15 4.418 -1.640 4.611 1.00 0.00 O ATOM 243 CB GLU A 15 4.849 -4.216 3.820 1.00 0.00 C ATOM 244 CG GLU A 15 4.809 -5.684 3.391 1.00 0.00 C ATOM 245 CD GLU A 15 5.539 -6.536 4.422 1.00 0.00 C ATOM 246 OE1 GLU A 15 5.003 -6.712 5.504 1.00 0.00 O ATOM 247 OE2 GLU A 15 6.625 -7.000 4.117 1.00 0.00 O ATOM 0 H GLU A 15 2.366 -3.877 3.122 1.00 0.00 H new ATOM 0 HA GLU A 15 3.748 -4.584 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.794 -3.569 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.793 -3.998 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.776 -6.017 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.274 -5.801 2.412 1.00 0.00 H new ATOM 254 N SER A 16 3.021 -2.166 6.297 1.00 0.00 N ATOM 255 CA SER A 16 2.999 -0.804 6.829 1.00 0.00 C ATOM 256 C SER A 16 4.405 -0.358 7.225 1.00 0.00 C ATOM 257 O SER A 16 4.732 0.828 7.176 1.00 0.00 O ATOM 258 CB SER A 16 2.084 -0.716 8.051 1.00 0.00 C ATOM 259 OG SER A 16 2.501 -1.669 9.020 1.00 0.00 O ATOM 0 H SER A 16 2.452 -2.835 6.815 1.00 0.00 H new ATOM 0 HA SER A 16 2.619 -0.148 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.118 0.288 8.474 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.051 -0.904 7.760 1.00 0.00 H new ATOM 0 HG SER A 16 1.917 -1.614 9.805 1.00 0.00 H new ATOM 265 N HIS A 17 5.238 -1.325 7.610 1.00 0.00 N ATOM 266 CA HIS A 17 6.614 -1.024 8.004 1.00 0.00 C ATOM 267 C HIS A 17 7.370 -0.330 6.868 1.00 0.00 C ATOM 268 O HIS A 17 8.378 0.338 7.099 1.00 0.00 O ATOM 269 CB HIS A 17 7.355 -2.309 8.378 1.00 0.00 C ATOM 270 CG HIS A 17 7.114 -2.624 9.828 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.838 -2.704 10.366 1.00 0.00 N ATOM 272 CD2 HIS A 17 7.974 -2.884 10.866 1.00 0.00 C ATOM 273 CE1 HIS A 17 5.967 -2.999 11.672 1.00 0.00 C ATOM 274 NE2 HIS A 17 7.248 -3.120 12.029 1.00 0.00 N ATOM 0 H HIS A 17 4.988 -2.313 7.657 1.00 0.00 H new ATOM 0 HA HIS A 17 6.572 -0.358 8.866 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.012 -3.134 7.754 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.423 -2.192 8.193 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.051 -2.903 10.791 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.135 -3.123 12.350 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.615 -3.338 12.955 1.00 0.00 H new ATOM 282 N VAL A 18 6.875 -0.493 5.637 1.00 0.00 N ATOM 283 CA VAL A 18 7.509 0.120 4.475 1.00 0.00 C ATOM 284 C VAL A 18 7.615 1.634 4.655 1.00 0.00 C ATOM 285 O VAL A 18 6.829 2.253 5.373 1.00 0.00 O ATOM 286 CB VAL A 18 6.699 -0.192 3.204 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.361 0.445 1.976 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.636 -1.707 3.005 1.00 0.00 C ATOM 0 H VAL A 18 6.042 -1.042 5.424 1.00 0.00 H new ATOM 0 HA VAL A 18 8.512 -0.294 4.375 1.00 0.00 H new ATOM 0 HB VAL A 18 5.695 0.216 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.775 0.214 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.410 1.526 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.369 0.048 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.063 -1.932 2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.646 -2.103 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.154 -2.167 3.867 1.00 0.00 H new ATOM 298 N ALA A 19 8.598 2.208 3.982 1.00 0.00 N ATOM 299 CA ALA A 19 8.830 3.642 4.040 1.00 0.00 C ATOM 300 C ALA A 19 9.257 4.144 2.668 1.00 0.00 C ATOM 301 O ALA A 19 10.023 3.487 1.965 1.00 0.00 O ATOM 302 CB ALA A 19 9.921 3.971 5.059 1.00 0.00 C ATOM 0 H ALA A 19 9.252 1.700 3.386 1.00 0.00 H new ATOM 0 HA ALA A 19 7.905 4.131 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.079 5.049 5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.614 3.623 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.848 3.475 4.772 1.00 0.00 H new ATOM 308 N ARG A 20 8.742 5.313 2.293 1.00 0.00 N ATOM 309 CA ARG A 20 9.051 5.921 0.988 1.00 0.00 C ATOM 310 C ARG A 20 10.538 5.812 0.632 1.00 0.00 C ATOM 311 O ARG A 20 10.904 5.745 -0.541 1.00 0.00 O ATOM 312 CB ARG A 20 8.654 7.395 0.991 1.00 0.00 C ATOM 313 CG ARG A 20 8.303 7.836 -0.431 1.00 0.00 C ATOM 314 CD ARG A 20 7.997 9.335 -0.439 1.00 0.00 C ATOM 315 NE ARG A 20 8.046 9.863 -1.801 1.00 0.00 N ATOM 316 CZ ARG A 20 7.269 10.877 -2.169 1.00 0.00 C ATOM 317 NH1 ARG A 20 5.982 10.820 -1.968 1.00 0.00 N ATOM 318 NH2 ARG A 20 7.795 11.930 -2.733 1.00 0.00 N ATOM 0 H ARG A 20 8.107 5.864 2.871 1.00 0.00 H new ATOM 0 HA ARG A 20 8.480 5.371 0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.801 7.551 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.472 8.001 1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.132 7.619 -1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.441 7.276 -0.795 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.011 9.513 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.717 9.862 0.187 1.00 0.00 H new ATOM 0 HE ARG A 20 8.685 9.448 -2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.570 9.997 -1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.387 11.599 -2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.802 11.975 -2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.199 12.708 -3.016 1.00 0.00 H new ATOM 332 N ALA A 21 11.387 5.793 1.657 1.00 0.00 N ATOM 333 CA ALA A 21 12.829 5.689 1.437 1.00 0.00 C ATOM 334 C ALA A 21 13.174 4.402 0.692 1.00 0.00 C ATOM 335 O ALA A 21 13.742 4.432 -0.399 1.00 0.00 O ATOM 336 CB ALA A 21 13.575 5.708 2.772 1.00 0.00 C ATOM 0 H ALA A 21 11.107 5.847 2.636 1.00 0.00 H new ATOM 0 HA ALA A 21 13.136 6.544 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.647 5.630 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.362 6.641 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.248 4.867 3.383 1.00 0.00 H new ATOM 342 N ASN A 22 12.830 3.270 1.299 1.00 0.00 N ATOM 343 CA ASN A 22 13.112 1.972 0.694 1.00 0.00 C ATOM 344 C ASN A 22 12.108 1.626 -0.410 1.00 0.00 C ATOM 345 O ASN A 22 12.260 0.614 -1.092 1.00 0.00 O ATOM 346 CB ASN A 22 13.084 0.877 1.759 1.00 0.00 C ATOM 347 CG ASN A 22 11.756 0.917 2.506 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.460 1.884 3.209 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.932 -0.089 2.400 1.00 0.00 N ATOM 0 H ASN A 22 12.359 3.224 2.203 1.00 0.00 H new ATOM 0 HA ASN A 22 14.104 2.033 0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.221 -0.099 1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.909 1.015 2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.043 -0.075 2.899 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.177 -0.890 1.818 1.00 0.00 H new ATOM 356 N VAL A 23 11.088 2.467 -0.600 1.00 0.00 N ATOM 357 CA VAL A 23 10.105 2.206 -1.650 1.00 0.00 C ATOM 358 C VAL A 23 10.673 2.656 -2.991 1.00 0.00 C ATOM 359 O VAL A 23 11.225 3.749 -3.112 1.00 0.00 O ATOM 360 CB VAL A 23 8.794 2.948 -1.371 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.740 2.538 -2.404 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.290 2.598 0.038 1.00 0.00 C ATOM 0 H VAL A 23 10.924 3.313 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 23 9.894 1.137 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 23 8.970 4.022 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.809 3.067 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.093 2.791 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.568 1.464 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.357 3.128 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.118 1.524 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.036 2.894 0.775 1.00 0.00 H new ATOM 372 N LYS A 24 10.550 1.792 -3.991 1.00 0.00 N ATOM 373 CA LYS A 24 11.077 2.100 -5.319 1.00 0.00 C ATOM 374 C LYS A 24 10.033 2.808 -6.173 1.00 0.00 C ATOM 375 O LYS A 24 10.296 3.863 -6.749 1.00 0.00 O ATOM 376 CB LYS A 24 11.515 0.817 -6.032 1.00 0.00 C ATOM 377 CG LYS A 24 12.744 1.105 -6.899 1.00 0.00 C ATOM 378 CD LYS A 24 12.299 1.660 -8.255 1.00 0.00 C ATOM 379 CE LYS A 24 13.508 2.240 -8.994 1.00 0.00 C ATOM 380 NZ LYS A 24 13.100 3.479 -9.715 1.00 0.00 N ATOM 0 H LYS A 24 10.096 0.882 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 24 11.935 2.759 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.747 0.043 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.702 0.437 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.395 1.821 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.323 0.193 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.841 0.870 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.542 2.432 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.307 2.464 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.902 1.509 -9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.520 3.481 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.063 3.509 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.432 4.312 -9.188 1.00 0.00 H new ATOM 394 N HIS A 25 8.847 2.214 -6.260 1.00 0.00 N ATOM 395 CA HIS A 25 7.782 2.805 -7.065 1.00 0.00 C ATOM 396 C HIS A 25 6.418 2.518 -6.455 1.00 0.00 C ATOM 397 O HIS A 25 6.279 1.659 -5.584 1.00 0.00 O ATOM 398 CB HIS A 25 7.816 2.244 -8.489 1.00 0.00 C ATOM 399 CG HIS A 25 8.836 2.995 -9.299 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.822 4.377 -9.409 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.907 2.571 -10.045 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.855 4.732 -10.195 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.550 3.670 -10.609 1.00 0.00 N ATOM 0 H HIS A 25 8.601 1.341 -5.793 1.00 0.00 H new ATOM 0 HA HIS A 25 7.945 3.883 -7.090 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.063 1.183 -8.467 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.832 2.333 -8.950 1.00 0.00 H new ATOM 0 HD1 HIS A 25 8.151 5.010 -8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.206 1.541 -10.175 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.093 5.752 -10.459 1.00 0.00 H new ATOM 411 N LEU A 26 5.409 3.246 -6.926 1.00 0.00 N ATOM 412 CA LEU A 26 4.054 3.059 -6.421 1.00 0.00 C ATOM 413 C LEU A 26 3.105 2.667 -7.544 1.00 0.00 C ATOM 414 O LEU A 26 3.234 3.118 -8.682 1.00 0.00 O ATOM 415 CB LEU A 26 3.520 4.343 -5.780 1.00 0.00 C ATOM 416 CG LEU A 26 3.958 4.446 -4.314 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.396 5.738 -3.714 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.425 3.247 -3.513 1.00 0.00 C ATOM 0 H LEU A 26 5.502 3.961 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 26 4.102 2.265 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.883 5.209 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.432 4.359 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 26 5.047 4.450 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.703 5.819 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.777 6.594 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.308 5.723 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.743 3.333 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.336 3.234 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.817 2.323 -3.937 1.00 0.00 H new ATOM 430 N LYS A 27 2.138 1.836 -7.191 1.00 0.00 N ATOM 431 CA LYS A 27 1.133 1.384 -8.149 1.00 0.00 C ATOM 432 C LYS A 27 -0.181 1.115 -7.421 1.00 0.00 C ATOM 433 O LYS A 27 -0.188 0.829 -6.228 1.00 0.00 O ATOM 434 CB LYS A 27 1.594 0.104 -8.855 1.00 0.00 C ATOM 435 CG LYS A 27 2.232 0.460 -10.200 1.00 0.00 C ATOM 436 CD LYS A 27 1.983 -0.671 -11.199 1.00 0.00 C ATOM 437 CE LYS A 27 3.081 -1.727 -11.060 1.00 0.00 C ATOM 438 NZ LYS A 27 3.046 -2.637 -12.240 1.00 0.00 N ATOM 0 H LYS A 27 2.025 1.459 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 27 0.991 2.164 -8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.311 -0.429 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.746 -0.564 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.812 1.392 -10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.303 0.620 -10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.007 -1.121 -11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.970 -0.277 -12.215 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.056 -1.246 -10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.938 -2.298 -10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.792 -3.355 -12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.119 -3.105 -12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.203 -2.086 -13.108 1.00 0.00 H new ATOM 452 N ILE A 28 -1.293 1.222 -8.143 1.00 0.00 N ATOM 453 CA ILE A 28 -2.599 0.995 -7.539 1.00 0.00 C ATOM 454 C ILE A 28 -3.507 0.230 -8.498 1.00 0.00 C ATOM 455 O ILE A 28 -3.330 0.275 -9.716 1.00 0.00 O ATOM 456 CB ILE A 28 -3.257 2.328 -7.181 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.307 3.146 -6.303 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.556 2.068 -6.418 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.463 4.070 -7.185 1.00 0.00 C ATOM 0 H ILE A 28 -1.316 1.461 -9.134 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.455 0.406 -6.633 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.476 2.881 -8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.876 3.734 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.660 2.481 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.025 3.018 -6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.234 1.485 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.337 1.515 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.787 4.652 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.883 3.472 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.118 4.744 -7.737 1.00 0.00 H new ATOM 471 N LEU A 29 -4.487 -0.466 -7.929 1.00 0.00 N ATOM 472 CA LEU A 29 -5.432 -1.236 -8.734 1.00 0.00 C ATOM 473 C LEU A 29 -6.854 -0.755 -8.468 1.00 0.00 C ATOM 474 O LEU A 29 -7.406 -0.972 -7.390 1.00 0.00 O ATOM 475 CB LEU A 29 -5.340 -2.727 -8.400 1.00 0.00 C ATOM 476 CG LEU A 29 -3.884 -3.189 -8.492 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.721 -4.516 -7.749 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.501 -3.378 -9.962 1.00 0.00 C ATOM 0 H LEU A 29 -4.648 -0.513 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.181 -1.090 -9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.726 -2.909 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.958 -3.302 -9.089 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.236 -2.438 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.684 -4.845 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.994 -4.383 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.369 -5.267 -8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.464 -3.707 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.150 -4.129 -10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.616 -2.433 -10.492 1.00 0.00 H new ATOM 490 N ASN A 30 -7.437 -0.092 -9.461 1.00 0.00 N ATOM 491 CA ASN A 30 -8.796 0.425 -9.323 1.00 0.00 C ATOM 492 C ASN A 30 -9.818 -0.686 -9.545 1.00 0.00 C ATOM 493 O ASN A 30 -10.378 -0.831 -10.631 1.00 0.00 O ATOM 494 CB ASN A 30 -9.048 1.546 -10.335 1.00 0.00 C ATOM 495 CG ASN A 30 -10.364 2.243 -10.005 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.252 1.650 -9.392 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.544 3.480 -10.378 1.00 0.00 N ATOM 0 H ASN A 30 -6.997 0.099 -10.361 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.904 0.818 -8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.228 2.264 -10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.084 1.137 -11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.420 3.956 -10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.809 3.972 -10.886 1.00 0.00 H new ATOM 504 N THR A 31 -10.055 -1.468 -8.496 1.00 0.00 N ATOM 505 CA THR A 31 -11.015 -2.565 -8.570 1.00 0.00 C ATOM 506 C THR A 31 -12.414 -2.057 -8.202 1.00 0.00 C ATOM 507 O THR A 31 -12.547 -1.159 -7.370 1.00 0.00 O ATOM 508 CB THR A 31 -10.610 -3.686 -7.602 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.216 -3.606 -7.338 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.931 -5.047 -8.219 1.00 0.00 C ATOM 0 H THR A 31 -9.599 -1.364 -7.590 1.00 0.00 H new ATOM 0 HA THR A 31 -11.025 -2.955 -9.588 1.00 0.00 H new ATOM 0 HB THR A 31 -11.166 -3.572 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.830 -4.507 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.641 -5.838 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.001 -5.113 -8.418 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.380 -5.162 -9.153 1.00 0.00 H new ATOM 518 N PRO A 32 -13.476 -2.614 -8.805 1.00 0.00 N ATOM 519 CA PRO A 32 -14.858 -2.185 -8.511 1.00 0.00 C ATOM 520 C PRO A 32 -15.397 -2.807 -7.228 1.00 0.00 C ATOM 521 O PRO A 32 -15.910 -2.111 -6.352 1.00 0.00 O ATOM 522 CB PRO A 32 -15.633 -2.674 -9.727 1.00 0.00 C ATOM 523 CG PRO A 32 -14.836 -3.820 -10.332 1.00 0.00 C ATOM 524 CD PRO A 32 -13.399 -3.704 -9.813 1.00 0.00 C ATOM 0 HA PRO A 32 -14.935 -1.110 -8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.630 -3.007 -9.440 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.762 -1.870 -10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -15.269 -4.780 -10.050 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.856 -3.769 -11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.057 -4.638 -9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.702 -3.460 -10.615 1.00 0.00 H new ATOM 532 N ASN A 33 -15.265 -4.124 -7.124 1.00 0.00 N ATOM 533 CA ASN A 33 -15.734 -4.833 -5.936 1.00 0.00 C ATOM 534 C ASN A 33 -15.017 -4.318 -4.683 1.00 0.00 C ATOM 535 O ASN A 33 -15.545 -4.401 -3.575 1.00 0.00 O ATOM 536 CB ASN A 33 -15.529 -6.353 -6.059 1.00 0.00 C ATOM 537 CG ASN A 33 -14.161 -6.674 -6.659 1.00 0.00 C ATOM 538 OD1 ASN A 33 -13.178 -6.819 -5.938 1.00 0.00 O ATOM 539 ND2 ASN A 33 -14.043 -6.804 -7.953 1.00 0.00 N ATOM 0 H ASN A 33 -14.843 -4.718 -7.837 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.803 -4.640 -5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.617 -6.816 -5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.313 -6.780 -6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.136 -7.026 -8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.858 -6.684 -8.554 1.00 0.00 H new ATOM 546 N CYS A 34 -13.817 -3.763 -4.874 1.00 0.00 N ATOM 547 CA CYS A 34 -13.051 -3.217 -3.754 1.00 0.00 C ATOM 548 C CYS A 34 -13.044 -1.691 -3.842 1.00 0.00 C ATOM 549 O CYS A 34 -13.772 -1.103 -4.640 1.00 0.00 O ATOM 550 CB CYS A 34 -11.603 -3.728 -3.774 1.00 0.00 C ATOM 551 SG CYS A 34 -11.594 -5.535 -3.872 1.00 0.00 S ATOM 0 H CYS A 34 -13.361 -3.681 -5.782 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.521 -3.541 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.070 -3.306 -4.626 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.079 -3.400 -2.876 1.00 0.00 H new ATOM 0 HG CYS A 34 -12.272 -5.916 -4.914 1.00 0.00 H new ATOM 556 N ALA A 35 -12.216 -1.054 -3.019 1.00 0.00 N ATOM 557 CA ALA A 35 -12.133 0.404 -3.026 1.00 0.00 C ATOM 558 C ALA A 35 -10.899 0.867 -3.801 1.00 0.00 C ATOM 559 O ALA A 35 -10.996 1.301 -4.949 1.00 0.00 O ATOM 560 CB ALA A 35 -12.075 0.947 -1.595 1.00 0.00 C ATOM 0 H ALA A 35 -11.601 -1.515 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.027 0.791 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.013 2.035 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.973 0.647 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.197 0.546 -1.089 1.00 0.00 H new ATOM 566 N LEU A 36 -9.738 0.762 -3.161 1.00 0.00 N ATOM 567 CA LEU A 36 -8.482 1.166 -3.788 1.00 0.00 C ATOM 568 C LEU A 36 -7.313 0.503 -3.068 1.00 0.00 C ATOM 569 O LEU A 36 -6.873 0.959 -2.013 1.00 0.00 O ATOM 570 CB LEU A 36 -8.319 2.693 -3.730 1.00 0.00 C ATOM 571 CG LEU A 36 -8.605 3.298 -5.108 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.663 4.822 -4.996 1.00 0.00 C ATOM 573 CD2 LEU A 36 -7.490 2.901 -6.078 1.00 0.00 C ATOM 0 H LEU A 36 -9.640 0.402 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.496 0.852 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.000 3.113 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.308 2.948 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.561 2.925 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.867 5.251 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.456 5.106 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.708 5.196 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.691 3.330 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.535 3.274 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.448 1.815 -6.159 1.00 0.00 H new ATOM 585 N GLN A 37 -6.820 -0.583 -3.652 1.00 0.00 N ATOM 586 CA GLN A 37 -5.702 -1.314 -3.062 1.00 0.00 C ATOM 587 C GLN A 37 -4.385 -0.783 -3.611 1.00 0.00 C ATOM 588 O GLN A 37 -3.974 -1.134 -4.718 1.00 0.00 O ATOM 589 CB GLN A 37 -5.799 -2.812 -3.380 1.00 0.00 C ATOM 590 CG GLN A 37 -7.221 -3.317 -3.109 1.00 0.00 C ATOM 591 CD GLN A 37 -8.031 -3.276 -4.401 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.894 -2.350 -5.201 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.875 -4.236 -4.658 1.00 0.00 N ATOM 0 H GLN A 37 -7.172 -0.975 -4.525 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.742 -1.173 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.535 -2.988 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.085 -3.368 -2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.189 -4.335 -2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.699 -2.700 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.990 -5.004 -3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.420 -4.219 -5.520 1.00 0.00 H new ATOM 602 N ILE A 38 -3.725 0.068 -2.831 1.00 0.00 N ATOM 603 CA ILE A 38 -2.455 0.632 -3.269 1.00 0.00 C ATOM 604 C ILE A 38 -1.341 -0.396 -3.132 1.00 0.00 C ATOM 605 O ILE A 38 -1.022 -0.862 -2.035 1.00 0.00 O ATOM 606 CB ILE A 38 -2.081 1.875 -2.463 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.261 2.851 -2.450 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.867 2.549 -3.115 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.999 3.954 -1.424 1.00 0.00 C ATOM 0 H ILE A 38 -4.041 0.377 -1.912 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.575 0.916 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.838 1.590 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.398 3.286 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.182 2.322 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.594 3.437 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.028 1.854 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.115 2.836 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.839 4.649 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.883 3.511 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.088 4.490 -1.690 1.00 0.00 H new ATOM 621 N VAL A 39 -0.738 -0.719 -4.264 1.00 0.00 N ATOM 622 CA VAL A 39 0.362 -1.669 -4.287 1.00 0.00 C ATOM 623 C VAL A 39 1.671 -0.903 -4.380 1.00 0.00 C ATOM 624 O VAL A 39 1.674 0.318 -4.546 1.00 0.00 O ATOM 625 CB VAL A 39 0.237 -2.629 -5.476 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.039 -3.458 -5.330 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.177 -1.832 -6.780 1.00 0.00 C ATOM 0 H VAL A 39 -0.990 -0.339 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 39 0.336 -2.261 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 39 1.103 -3.290 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.128 -4.141 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.997 -4.031 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.903 -2.794 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.088 -2.518 -7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.687 -1.167 -6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.087 -1.241 -6.888 1.00 0.00 H new ATOM 637 N ALA A 40 2.780 -1.615 -4.258 1.00 0.00 N ATOM 638 CA ALA A 40 4.077 -0.960 -4.316 1.00 0.00 C ATOM 639 C ALA A 40 5.189 -1.948 -4.607 1.00 0.00 C ATOM 640 O ALA A 40 4.964 -3.149 -4.734 1.00 0.00 O ATOM 641 CB ALA A 40 4.379 -0.289 -2.983 1.00 0.00 C ATOM 0 H ALA A 40 2.810 -2.625 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 40 4.032 -0.225 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.352 0.200 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.611 0.454 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.391 -1.039 -2.192 1.00 0.00 H new ATOM 647 N ARG A 41 6.400 -1.412 -4.689 1.00 0.00 N ATOM 648 CA ARG A 41 7.581 -2.227 -4.942 1.00 0.00 C ATOM 649 C ARG A 41 8.754 -1.693 -4.122 1.00 0.00 C ATOM 650 O ARG A 41 9.232 -0.578 -4.348 1.00 0.00 O ATOM 651 CB ARG A 41 7.936 -2.207 -6.428 1.00 0.00 C ATOM 652 CG ARG A 41 9.110 -3.156 -6.701 1.00 0.00 C ATOM 653 CD ARG A 41 8.591 -4.454 -7.323 1.00 0.00 C ATOM 654 NE ARG A 41 9.589 -5.033 -8.218 1.00 0.00 N ATOM 655 CZ ARG A 41 9.258 -5.450 -9.436 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.310 -4.624 -10.445 1.00 0.00 N ATOM 657 NH2 ARG A 41 8.881 -6.685 -9.623 1.00 0.00 N ATOM 0 H ARG A 41 6.590 -0.415 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 41 7.369 -3.256 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.071 -2.505 -7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.198 -1.194 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.826 -2.681 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.639 -3.372 -5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.344 -5.167 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.672 -4.257 -7.874 1.00 0.00 H new ATOM 0 HE ARG A 41 10.556 -5.119 -7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.605 -3.658 -10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.056 -4.944 -11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.840 -7.331 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.627 -7.005 -10.558 1.00 0.00 H new ATOM 671 N LEU A 42 9.193 -2.495 -3.149 1.00 0.00 N ATOM 672 CA LEU A 42 10.291 -2.097 -2.272 1.00 0.00 C ATOM 673 C LEU A 42 11.643 -2.303 -2.946 1.00 0.00 C ATOM 674 O LEU A 42 11.784 -3.114 -3.864 1.00 0.00 O ATOM 675 CB LEU A 42 10.273 -2.908 -0.973 1.00 0.00 C ATOM 676 CG LEU A 42 8.854 -2.983 -0.398 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.879 -3.810 0.887 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.345 -1.573 -0.081 1.00 0.00 C ATOM 0 H LEU A 42 8.806 -3.418 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 42 10.152 -1.038 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.647 -3.914 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.942 -2.451 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 42 8.192 -3.448 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.873 -3.868 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.239 -4.815 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.543 -3.338 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.336 -1.634 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.004 -1.104 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.332 -0.977 -0.994 1.00 0.00 H new ATOM 690 N LYS A 43 12.634 -1.554 -2.462 1.00 0.00 N ATOM 691 CA LYS A 43 13.993 -1.633 -2.996 1.00 0.00 C ATOM 692 C LYS A 43 14.839 -2.593 -2.166 1.00 0.00 C ATOM 693 O LYS A 43 15.285 -3.633 -2.652 1.00 0.00 O ATOM 694 CB LYS A 43 14.649 -0.244 -2.979 1.00 0.00 C ATOM 695 CG LYS A 43 14.599 0.369 -4.379 1.00 0.00 C ATOM 696 CD LYS A 43 15.869 -0.002 -5.147 1.00 0.00 C ATOM 697 CE LYS A 43 17.028 0.877 -4.673 1.00 0.00 C ATOM 698 NZ LYS A 43 18.319 0.179 -4.929 1.00 0.00 N ATOM 0 H LYS A 43 12.520 -0.885 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 43 13.935 -1.999 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.133 0.403 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.683 -0.324 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.720 0.009 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.507 1.453 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.108 -1.054 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.712 0.132 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.010 1.834 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.924 1.092 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.107 0.777 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.335 -0.723 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.418 -0.005 -5.948 1.00 0.00 H new ATOM 712 N ASN A 44 15.061 -2.224 -0.905 1.00 0.00 N ATOM 713 CA ASN A 44 15.863 -3.044 0.007 1.00 0.00 C ATOM 714 C ASN A 44 15.398 -4.502 0.000 1.00 0.00 C ATOM 715 O ASN A 44 16.179 -5.418 0.259 1.00 0.00 O ATOM 716 CB ASN A 44 15.766 -2.503 1.435 1.00 0.00 C ATOM 717 CG ASN A 44 17.009 -2.910 2.219 1.00 0.00 C ATOM 718 OD1 ASN A 44 18.110 -2.433 1.942 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.898 -3.772 3.192 1.00 0.00 N ATOM 0 H ASN A 44 14.699 -1.365 -0.491 1.00 0.00 H new ATOM 0 HA ASN A 44 16.896 -2.999 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.673 -1.417 1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.872 -2.892 1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.723 -4.051 3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.986 -4.167 3.422 1.00 0.00 H new ATOM 726 N ASN A 45 14.119 -4.703 -0.306 1.00 0.00 N ATOM 727 CA ASN A 45 13.562 -6.051 -0.354 1.00 0.00 C ATOM 728 C ASN A 45 13.506 -6.548 -1.796 1.00 0.00 C ATOM 729 O ASN A 45 13.588 -7.748 -2.056 1.00 0.00 O ATOM 730 CB ASN A 45 12.148 -6.076 0.234 1.00 0.00 C ATOM 731 CG ASN A 45 12.143 -5.401 1.601 1.00 0.00 C ATOM 732 OD1 ASN A 45 12.134 -4.098 1.671 1.00 0.00 O flip ATOM 733 ND2 ASN A 45 12.147 -6.074 2.632 1.00 0.00 N flip ATOM 0 H ASN A 45 13.456 -3.959 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 45 14.208 -6.701 0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.457 -5.565 -0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.801 -7.105 0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.154 -7.092 2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.143 -5.613 3.542 1.00 0.00 H new ATOM 740 N ASN A 46 13.360 -5.610 -2.733 1.00 0.00 N ATOM 741 CA ASN A 46 13.288 -5.962 -4.149 1.00 0.00 C ATOM 742 C ASN A 46 12.076 -6.855 -4.406 1.00 0.00 C ATOM 743 O ASN A 46 12.201 -7.988 -4.877 1.00 0.00 O ATOM 744 CB ASN A 46 14.566 -6.687 -4.588 1.00 0.00 C ATOM 745 CG ASN A 46 14.643 -6.708 -6.111 1.00 0.00 C ATOM 746 OD1 ASN A 46 13.644 -6.956 -6.787 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.782 -6.459 -6.697 1.00 0.00 N ATOM 0 H ASN A 46 13.290 -4.611 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 46 13.188 -5.044 -4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.441 -6.185 -4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.571 -7.705 -4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.845 -6.470 -7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.609 -6.254 -6.137 1.00 0.00 H new ATOM 754 N ARG A 47 10.896 -6.331 -4.085 1.00 0.00 N ATOM 755 CA ARG A 47 9.662 -7.090 -4.279 1.00 0.00 C ATOM 756 C ARG A 47 8.451 -6.164 -4.255 1.00 0.00 C ATOM 757 O ARG A 47 8.556 -4.989 -3.908 1.00 0.00 O ATOM 758 CB ARG A 47 9.500 -8.144 -3.179 1.00 0.00 C ATOM 759 CG ARG A 47 10.257 -9.417 -3.571 1.00 0.00 C ATOM 760 CD ARG A 47 9.470 -10.645 -3.110 1.00 0.00 C ATOM 761 NE ARG A 47 9.891 -11.057 -1.773 1.00 0.00 N ATOM 762 CZ ARG A 47 9.300 -12.075 -1.153 1.00 0.00 C ATOM 763 NH1 ARG A 47 9.735 -13.292 -1.336 1.00 0.00 N ATOM 764 NH2 ARG A 47 8.287 -11.856 -0.360 1.00 0.00 N ATOM 0 H ARG A 47 10.767 -5.397 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 47 9.724 -7.582 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.881 -7.759 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.444 -8.368 -3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.400 -9.449 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.248 -9.417 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.404 -10.420 -3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.621 -11.464 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 47 10.649 -10.557 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.528 -13.463 -1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.282 -14.072 -0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.949 -10.905 -0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.834 -12.636 0.116 1.00 0.00 H new ATOM 778 N GLN A 48 7.297 -6.712 -4.630 1.00 0.00 N ATOM 779 CA GLN A 48 6.063 -5.932 -4.652 1.00 0.00 C ATOM 780 C GLN A 48 5.274 -6.142 -3.362 1.00 0.00 C ATOM 781 O GLN A 48 5.144 -7.267 -2.878 1.00 0.00 O ATOM 782 CB GLN A 48 5.192 -6.346 -5.842 1.00 0.00 C ATOM 783 CG GLN A 48 4.000 -5.395 -5.964 1.00 0.00 C ATOM 784 CD GLN A 48 2.889 -6.068 -6.761 1.00 0.00 C ATOM 785 OE1 GLN A 48 3.027 -6.293 -7.963 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.784 -6.407 -6.157 1.00 0.00 N ATOM 0 H GLN A 48 7.191 -7.684 -4.920 1.00 0.00 H new ATOM 0 HA GLN A 48 6.331 -4.880 -4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.780 -6.327 -6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.841 -7.369 -5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.637 -5.122 -4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.307 -4.472 -6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.669 -6.221 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.034 -6.859 -6.681 1.00 0.00 H new ATOM 795 N VAL A 49 4.750 -5.050 -2.805 1.00 0.00 N ATOM 796 CA VAL A 49 3.978 -5.152 -1.561 1.00 0.00 C ATOM 797 C VAL A 49 2.853 -4.126 -1.521 1.00 0.00 C ATOM 798 O VAL A 49 2.930 -3.072 -2.147 1.00 0.00 O ATOM 799 CB VAL A 49 4.872 -4.921 -0.341 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.815 -6.109 -0.159 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.688 -3.642 -0.540 1.00 0.00 C ATOM 0 H VAL A 49 4.840 -4.106 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 49 3.560 -6.158 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 49 4.249 -4.819 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.450 -5.940 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.231 -7.018 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.438 -6.218 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.325 -3.478 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.308 -3.741 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.013 -2.795 -0.661 1.00 0.00 H new ATOM 811 N CYS A 50 1.816 -4.439 -0.748 1.00 0.00 N ATOM 812 CA CYS A 50 0.687 -3.530 -0.599 1.00 0.00 C ATOM 813 C CYS A 50 0.958 -2.604 0.578 1.00 0.00 C ATOM 814 O CYS A 50 1.074 -3.054 1.718 1.00 0.00 O ATOM 815 CB CYS A 50 -0.605 -4.309 -0.337 1.00 0.00 C ATOM 816 SG CYS A 50 -0.959 -5.390 -1.747 1.00 0.00 S ATOM 0 H CYS A 50 1.736 -5.308 -0.220 1.00 0.00 H new ATOM 0 HA CYS A 50 0.568 -2.958 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.506 -4.901 0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.433 -3.618 -0.179 1.00 0.00 H new ATOM 821 N ILE A 51 1.083 -1.311 0.299 1.00 0.00 N ATOM 822 CA ILE A 51 1.367 -0.358 1.366 1.00 0.00 C ATOM 823 C ILE A 51 0.094 0.038 2.092 1.00 0.00 C ATOM 824 O ILE A 51 -1.001 -0.004 1.532 1.00 0.00 O ATOM 825 CB ILE A 51 2.049 0.899 0.830 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.221 0.506 -0.071 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.580 1.713 2.009 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.831 1.761 -0.684 1.00 0.00 C ATOM 0 H ILE A 51 0.995 -0.906 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 51 2.043 -0.854 2.062 1.00 0.00 H new ATOM 0 HB ILE A 51 1.332 1.487 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.973 -0.033 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.880 -0.167 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.069 2.614 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.752 1.992 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.298 1.115 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.666 1.483 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.077 2.281 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.187 2.418 0.110 1.00 0.00 H new ATOM 840 N ASP A 52 0.254 0.407 3.357 1.00 0.00 N ATOM 841 CA ASP A 52 -0.884 0.793 4.178 1.00 0.00 C ATOM 842 C ASP A 52 -1.311 2.230 3.855 1.00 0.00 C ATOM 843 O ASP A 52 -0.462 3.101 3.658 1.00 0.00 O ATOM 844 CB ASP A 52 -0.519 0.695 5.667 1.00 0.00 C ATOM 845 CG ASP A 52 -1.648 0.012 6.434 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.131 -1.004 5.962 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.014 0.515 7.484 1.00 0.00 O ATOM 0 H ASP A 52 1.155 0.447 3.833 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.710 0.115 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.407 0.132 5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.342 1.691 6.073 1.00 0.00 H new ATOM 852 N PRO A 53 -2.625 2.508 3.802 1.00 0.00 N ATOM 853 CA PRO A 53 -3.128 3.865 3.503 1.00 0.00 C ATOM 854 C PRO A 53 -3.015 4.819 4.694 1.00 0.00 C ATOM 855 O PRO A 53 -3.255 6.019 4.565 1.00 0.00 O ATOM 856 CB PRO A 53 -4.588 3.619 3.146 1.00 0.00 C ATOM 857 CG PRO A 53 -4.990 2.311 3.805 1.00 0.00 C ATOM 858 CD PRO A 53 -3.706 1.513 4.037 1.00 0.00 C ATOM 0 HA PRO A 53 -2.552 4.348 2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.215 4.438 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.717 3.562 2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.504 2.497 4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.680 1.755 3.170 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.664 1.107 5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.630 0.669 3.351 1.00 0.00 H new ATOM 866 N LYS A 54 -2.646 4.278 5.858 1.00 0.00 N ATOM 867 CA LYS A 54 -2.508 5.101 7.051 1.00 0.00 C ATOM 868 C LYS A 54 -1.036 5.342 7.394 1.00 0.00 C ATOM 869 O LYS A 54 -0.714 5.768 8.504 1.00 0.00 O ATOM 870 CB LYS A 54 -3.191 4.428 8.243 1.00 0.00 C ATOM 871 CG LYS A 54 -4.675 4.804 8.259 1.00 0.00 C ATOM 872 CD LYS A 54 -5.436 3.840 9.172 1.00 0.00 C ATOM 873 CE LYS A 54 -6.008 2.690 8.341 1.00 0.00 C ATOM 874 NZ LYS A 54 -7.296 3.115 7.724 1.00 0.00 N ATOM 0 H LYS A 54 -2.441 3.288 5.994 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.983 6.060 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.080 3.346 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.715 4.741 9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.798 5.828 8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.082 4.763 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.770 3.450 9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.241 4.367 9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.299 2.400 7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.166 1.815 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.685 2.333 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.972 3.371 8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.132 3.938 7.110 1.00 0.00 H new ATOM 888 N LEU A 55 -0.138 5.077 6.440 1.00 0.00 N ATOM 889 CA LEU A 55 1.286 5.287 6.686 1.00 0.00 C ATOM 890 C LEU A 55 1.565 6.774 6.866 1.00 0.00 C ATOM 891 O LEU A 55 0.745 7.621 6.511 1.00 0.00 O ATOM 892 CB LEU A 55 2.123 4.735 5.530 1.00 0.00 C ATOM 893 CG LEU A 55 2.661 3.349 5.901 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.385 2.733 4.700 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.633 3.468 7.080 1.00 0.00 C ATOM 0 H LEU A 55 -0.367 4.724 5.511 1.00 0.00 H new ATOM 0 HA LEU A 55 1.563 4.755 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.516 4.671 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.950 5.411 5.311 1.00 0.00 H new ATOM 0 HG LEU A 55 1.826 2.708 6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.765 1.748 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.690 2.637 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.216 3.375 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.013 2.480 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.465 4.115 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.114 3.894 7.938 1.00 0.00 H new ATOM 907 N LYS A 56 2.716 7.079 7.450 1.00 0.00 N ATOM 908 CA LYS A 56 3.078 8.464 7.705 1.00 0.00 C ATOM 909 C LYS A 56 3.510 9.174 6.433 1.00 0.00 C ATOM 910 O LYS A 56 3.207 10.351 6.240 1.00 0.00 O ATOM 911 CB LYS A 56 4.204 8.546 8.736 1.00 0.00 C ATOM 912 CG LYS A 56 3.632 8.315 10.136 1.00 0.00 C ATOM 913 CD LYS A 56 4.774 8.042 11.116 1.00 0.00 C ATOM 914 CE LYS A 56 4.217 7.376 12.376 1.00 0.00 C ATOM 915 NZ LYS A 56 5.104 7.683 13.534 1.00 0.00 N ATOM 0 H LYS A 56 3.408 6.393 7.753 1.00 0.00 H new ATOM 0 HA LYS A 56 2.189 8.961 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.968 7.800 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.687 9.522 8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.064 9.188 10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.941 7.473 10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.520 7.398 10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.275 8.974 11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.207 7.734 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.150 6.298 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.726 7.230 14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.060 7.321 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.146 8.712 13.676 1.00 0.00 H new ATOM 929 N TRP A 57 4.223 8.466 5.568 1.00 0.00 N ATOM 930 CA TRP A 57 4.669 9.082 4.328 1.00 0.00 C ATOM 931 C TRP A 57 3.598 8.970 3.257 1.00 0.00 C ATOM 932 O TRP A 57 3.500 9.825 2.375 1.00 0.00 O ATOM 933 CB TRP A 57 5.988 8.479 3.833 1.00 0.00 C ATOM 934 CG TRP A 57 5.844 7.026 3.501 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.909 6.001 4.387 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.638 6.421 2.194 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.781 4.810 3.696 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.608 5.017 2.346 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.482 6.952 0.904 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.433 4.170 1.257 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.297 6.100 -0.199 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.276 4.711 -0.021 1.00 0.00 C ATOM 0 H TRP A 57 4.499 7.492 5.696 1.00 0.00 H new ATOM 0 HA TRP A 57 4.848 10.137 4.536 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.328 9.022 2.951 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.754 8.603 4.598 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.039 6.099 5.455 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.811 3.889 4.134 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.504 8.022 0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.419 3.099 1.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.171 6.518 -1.187 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.139 4.059 -0.871 1.00 0.00 H new ATOM 953 N ILE A 58 2.781 7.922 3.340 1.00 0.00 N ATOM 954 CA ILE A 58 1.723 7.758 2.363 1.00 0.00 C ATOM 955 C ILE A 58 0.538 8.662 2.704 1.00 0.00 C ATOM 956 O ILE A 58 -0.283 8.950 1.836 1.00 0.00 O ATOM 957 CB ILE A 58 1.292 6.282 2.237 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.454 5.524 1.535 1.00 0.00 C ATOM 959 CG2 ILE A 58 -0.030 6.164 1.433 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.954 4.358 0.665 1.00 0.00 C ATOM 0 H ILE A 58 2.832 7.196 4.055 1.00 0.00 H new ATOM 0 HA ILE A 58 2.110 8.059 1.390 1.00 0.00 H new ATOM 0 HB ILE A 58 1.099 5.848 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.016 6.222 0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.142 5.142 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.316 5.115 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.817 6.718 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.114 6.575 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.805 3.862 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.415 3.644 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.287 4.741 -0.108 1.00 0.00 H new ATOM 972 N GLN A 59 0.445 9.124 3.955 1.00 0.00 N ATOM 973 CA GLN A 59 -0.659 10.003 4.309 1.00 0.00 C ATOM 974 C GLN A 59 -0.502 11.339 3.584 1.00 0.00 C ATOM 975 O GLN A 59 -1.487 12.000 3.259 1.00 0.00 O ATOM 976 CB GLN A 59 -0.753 10.229 5.823 1.00 0.00 C ATOM 977 CG GLN A 59 0.541 10.857 6.351 1.00 0.00 C ATOM 978 CD GLN A 59 0.212 12.051 7.245 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.616 12.890 6.890 1.00 0.00 O ATOM 980 NE2 GLN A 59 0.818 12.178 8.393 1.00 0.00 N ATOM 0 H GLN A 59 1.097 8.911 4.710 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.585 9.520 3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.598 10.879 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.937 9.281 6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.112 10.117 6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.167 11.177 5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.504 11.483 8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.606 12.972 8.997 1.00 0.00 H new ATOM 989 N GLU A 60 0.751 11.715 3.304 1.00 0.00 N ATOM 990 CA GLU A 60 1.013 12.957 2.586 1.00 0.00 C ATOM 991 C GLU A 60 0.836 12.717 1.090 1.00 0.00 C ATOM 992 O GLU A 60 0.348 13.577 0.356 1.00 0.00 O ATOM 993 CB GLU A 60 2.437 13.448 2.855 1.00 0.00 C ATOM 994 CG GLU A 60 2.425 14.439 4.020 1.00 0.00 C ATOM 995 CD GLU A 60 3.741 14.342 4.785 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.985 13.303 5.375 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.483 15.310 4.770 1.00 0.00 O ATOM 0 H GLU A 60 1.583 11.184 3.560 1.00 0.00 H new ATOM 0 HA GLU A 60 0.312 13.717 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.086 12.604 3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.843 13.925 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.283 15.453 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.589 14.224 4.685 1.00 0.00 H new ATOM 1004 N TYR A 61 1.232 11.521 0.655 1.00 0.00 N ATOM 1005 CA TYR A 61 1.111 11.142 -0.749 1.00 0.00 C ATOM 1006 C TYR A 61 -0.368 11.025 -1.121 1.00 0.00 C ATOM 1007 O TYR A 61 -0.820 11.576 -2.124 1.00 0.00 O ATOM 1008 CB TYR A 61 1.847 9.797 -0.984 1.00 0.00 C ATOM 1009 CG TYR A 61 1.310 9.053 -2.194 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.137 9.715 -3.414 1.00 0.00 C ATOM 1011 CD2 TYR A 61 0.975 7.703 -2.077 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.631 9.020 -4.520 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.468 7.007 -3.176 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.296 7.664 -4.401 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.204 6.979 -5.489 1.00 0.00 O ATOM 0 H TYR A 61 1.638 10.802 1.254 1.00 0.00 H new ATOM 0 HA TYR A 61 1.567 11.904 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.912 9.986 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.745 9.169 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.393 10.760 -3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.108 7.195 -1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.499 9.528 -5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.209 5.963 -3.082 1.00 0.00 H new ATOM 0 HH TYR A 61 0.159 7.365 -6.313 1.00 0.00 H new ATOM 1025 N LEU A 62 -1.106 10.292 -0.305 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.524 10.097 -0.554 1.00 0.00 C ATOM 1027 C LEU A 62 -3.284 11.410 -0.368 1.00 0.00 C ATOM 1028 O LEU A 62 -4.356 11.609 -0.940 1.00 0.00 O ATOM 1029 CB LEU A 62 -3.076 9.042 0.409 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.966 8.055 -0.351 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.906 6.685 0.327 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.410 8.563 -0.343 1.00 0.00 C ATOM 0 H LEU A 62 -0.751 9.825 0.529 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.656 9.758 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.254 8.509 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.648 9.525 1.201 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.615 7.967 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.540 5.983 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.878 6.322 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.257 6.772 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.045 7.862 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.759 8.650 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.455 9.539 -0.825 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.716 12.303 0.441 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.348 13.595 0.698 1.00 0.00 C ATOM 1046 C GLU A 63 -3.110 14.556 -0.465 1.00 0.00 C ATOM 1047 O GLU A 63 -4.004 15.301 -0.865 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.791 14.219 1.978 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.628 13.762 3.174 1.00 0.00 C ATOM 1050 CD GLU A 63 -4.947 14.526 3.196 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -4.902 15.744 3.244 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -5.983 13.881 3.163 1.00 0.00 O ATOM 0 H GLU A 63 -1.830 12.158 0.925 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.418 13.423 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.750 13.925 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.808 15.306 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.818 12.691 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.081 13.934 4.101 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.891 14.535 -1.001 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.549 15.416 -2.117 1.00 0.00 C ATOM 1061 C LYS A 64 -1.957 14.787 -3.448 1.00 0.00 C ATOM 1062 O LYS A 64 -2.263 15.489 -4.413 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.042 15.718 -2.132 1.00 0.00 C ATOM 1064 CG LYS A 64 0.760 14.420 -2.300 1.00 0.00 C ATOM 1065 CD LYS A 64 1.207 14.275 -3.757 1.00 0.00 C ATOM 1066 CE LYS A 64 2.559 13.562 -3.808 1.00 0.00 C ATOM 1067 NZ LYS A 64 3.032 13.494 -5.219 1.00 0.00 N ATOM 0 H LYS A 64 -1.134 13.928 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.096 16.349 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.190 16.405 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.246 16.214 -1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.629 14.430 -1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.150 13.564 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.465 13.711 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.284 15.257 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.286 14.094 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.468 12.557 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.951 13.009 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.341 12.968 -5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.134 14.457 -5.598 1.00 0.00 H new ATOM 1081 N ALA A 65 -1.961 13.456 -3.492 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.337 12.743 -4.710 1.00 0.00 C ATOM 1083 C ALA A 65 -3.766 13.093 -5.117 1.00 0.00 C ATOM 1084 O ALA A 65 -4.104 13.101 -6.301 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.235 11.232 -4.500 1.00 0.00 C ATOM 0 H ALA A 65 -1.711 12.855 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.651 13.047 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.519 10.717 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.210 10.969 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.903 10.931 -3.693 1.00 0.00 H new