USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 SER OG : rot 180:sc= -0.626 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot -31:sc= 0.0643 USER MOD Single : A 34 ASN : amide:sc= -5.84! C(o=-5.8!,f=-10!) USER MOD Single : A 36 ASN : amide:sc= -10.7! C(o=-11!,f=-21!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -4.23! (180deg=-5.85!) USER MOD Single : A 47 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-5.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.144 USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= -9.22! (180deg=-10.9!) USER MOD Single : A 73 LYS NZ :NH3+ -96:sc= -0.0761 (180deg=-0.656) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -5.853 5.967 -1.344 1.00 0.00 N ATOM 116 CA PRO A 24 -4.978 7.152 -1.273 1.00 0.00 C ATOM 117 C PRO A 24 -3.985 6.938 -0.136 1.00 0.00 C ATOM 118 O PRO A 24 -3.943 7.683 0.822 1.00 0.00 O ATOM 119 CB PRO A 24 -5.940 8.299 -0.975 1.00 0.00 C ATOM 120 CG PRO A 24 -7.116 7.644 -0.328 1.00 0.00 C ATOM 121 CD PRO A 24 -7.229 6.272 -0.943 1.00 0.00 C ATOM 0 HA PRO A 24 -4.399 7.347 -2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.485 9.037 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.229 8.821 -1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.978 7.576 0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.025 8.222 -0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.611 5.542 -0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.907 6.269 -1.797 1.00 0.00 H new ATOM 129 N ILE A 25 -3.190 5.903 -0.238 1.00 0.00 N ATOM 130 CA ILE A 25 -2.206 5.609 0.828 1.00 0.00 C ATOM 131 C ILE A 25 -1.129 6.684 0.848 1.00 0.00 C ATOM 132 O ILE A 25 -0.276 6.713 1.713 1.00 0.00 O ATOM 133 CB ILE A 25 -1.607 4.260 0.443 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.716 4.449 -0.785 1.00 0.00 C ATOM 135 CG2 ILE A 25 -2.733 3.280 0.110 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.225 3.089 -1.277 1.00 0.00 C ATOM 0 H ILE A 25 -3.186 5.250 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.657 5.588 1.820 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.019 3.864 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.271 4.954 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.133 5.085 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.306 2.316 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.377 3.157 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.319 3.669 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.410 3.226 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.346 2.601 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.080 2.468 -1.543 1.00 0.00 H new ATOM 148 N SER A 26 -1.166 7.557 -0.114 1.00 0.00 N ATOM 149 CA SER A 26 -0.152 8.643 -0.190 1.00 0.00 C ATOM 150 C SER A 26 0.217 9.146 1.210 1.00 0.00 C ATOM 151 O SER A 26 1.323 8.974 1.666 1.00 0.00 O ATOM 152 CB SER A 26 -0.829 9.752 -0.996 1.00 0.00 C ATOM 153 OG SER A 26 -0.618 11.001 -0.352 1.00 0.00 O ATOM 0 H SER A 26 -1.862 7.566 -0.859 1.00 0.00 H new ATOM 0 HA SER A 26 0.776 8.303 -0.649 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.425 9.779 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.897 9.552 -1.085 1.00 0.00 H new ATOM 0 HG SER A 26 -1.050 11.713 -0.869 1.00 0.00 H new ATOM 159 N ARG A 27 -0.698 9.775 1.889 1.00 0.00 N ATOM 160 CA ARG A 27 -0.391 10.309 3.252 1.00 0.00 C ATOM 161 C ARG A 27 -0.137 9.179 4.261 1.00 0.00 C ATOM 162 O ARG A 27 0.650 9.321 5.176 1.00 0.00 O ATOM 163 CB ARG A 27 -1.639 11.099 3.649 1.00 0.00 C ATOM 164 CG ARG A 27 -1.602 11.401 5.148 1.00 0.00 C ATOM 165 CD ARG A 27 -2.884 12.128 5.554 1.00 0.00 C ATOM 166 NE ARG A 27 -2.475 13.544 5.760 1.00 0.00 N ATOM 167 CZ ARG A 27 -3.238 14.355 6.442 1.00 0.00 C ATOM 168 NH1 ARG A 27 -4.356 13.923 6.960 1.00 0.00 N ATOM 169 NH2 ARG A 27 -2.880 15.599 6.608 1.00 0.00 N ATOM 0 H ARG A 27 -1.649 9.945 1.562 1.00 0.00 H new ATOM 0 HA ARG A 27 0.513 10.918 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.689 12.029 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.535 10.529 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.502 10.475 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.733 12.015 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.646 12.046 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.307 11.703 6.464 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.596 13.882 5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.635 12.950 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.950 14.558 7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.006 15.936 6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.475 16.234 7.140 1.00 0.00 H new ATOM 183 N LEU A 28 -0.811 8.074 4.121 1.00 0.00 N ATOM 184 CA LEU A 28 -0.626 6.954 5.094 1.00 0.00 C ATOM 185 C LEU A 28 0.813 6.421 5.101 1.00 0.00 C ATOM 186 O LEU A 28 1.516 6.536 6.086 1.00 0.00 O ATOM 187 CB LEU A 28 -1.590 5.865 4.626 1.00 0.00 C ATOM 188 CG LEU A 28 -2.630 5.602 5.720 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.672 6.724 5.719 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.324 4.263 5.458 1.00 0.00 C ATOM 0 H LEU A 28 -1.484 7.894 3.376 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.822 7.287 6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.085 6.173 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.042 4.950 4.403 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.132 5.570 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.411 6.535 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.180 7.678 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.168 6.759 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.063 4.078 6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.819 4.294 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.584 3.463 5.462 1.00 0.00 H new ATOM 202 N GLU A 29 1.245 5.805 4.034 1.00 0.00 N ATOM 203 CA GLU A 29 2.625 5.228 4.014 1.00 0.00 C ATOM 204 C GLU A 29 3.690 6.278 3.674 1.00 0.00 C ATOM 205 O GLU A 29 4.785 6.240 4.201 1.00 0.00 O ATOM 206 CB GLU A 29 2.583 4.141 2.932 1.00 0.00 C ATOM 207 CG GLU A 29 2.574 4.783 1.546 1.00 0.00 C ATOM 208 CD GLU A 29 4.008 5.086 1.111 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.875 4.273 1.387 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.217 6.126 0.506 1.00 0.00 O ATOM 0 H GLU A 29 0.707 5.675 3.177 1.00 0.00 H new ATOM 0 HA GLU A 29 2.899 4.840 4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.447 3.484 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.695 3.522 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.099 4.115 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.987 5.701 1.563 1.00 0.00 H new ATOM 217 N GLN A 30 3.407 7.207 2.800 1.00 0.00 N ATOM 218 CA GLN A 30 4.451 8.215 2.461 1.00 0.00 C ATOM 219 C GLN A 30 4.791 9.033 3.704 1.00 0.00 C ATOM 220 O GLN A 30 5.896 9.513 3.864 1.00 0.00 O ATOM 221 CB GLN A 30 3.844 9.116 1.384 1.00 0.00 C ATOM 222 CG GLN A 30 4.960 9.882 0.668 1.00 0.00 C ATOM 223 CD GLN A 30 4.685 11.384 0.768 1.00 0.00 C ATOM 224 OE1 GLN A 30 5.151 12.041 1.678 1.00 0.00 O ATOM 225 NE2 GLN A 30 3.938 11.960 -0.135 1.00 0.00 N ATOM 0 H GLN A 30 2.516 7.311 2.315 1.00 0.00 H new ATOM 0 HA GLN A 30 5.368 7.745 2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.283 8.516 0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.140 9.815 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.925 9.646 1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.012 9.579 -0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.546 11.410 -0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.746 12.960 -0.076 1.00 0.00 H new ATOM 234 N CYS A 31 3.850 9.182 4.594 1.00 0.00 N ATOM 235 CA CYS A 31 4.121 9.955 5.833 1.00 0.00 C ATOM 236 C CYS A 31 4.903 9.072 6.800 1.00 0.00 C ATOM 237 O CYS A 31 5.512 9.544 7.742 1.00 0.00 O ATOM 238 CB CYS A 31 2.744 10.294 6.403 1.00 0.00 C ATOM 239 SG CYS A 31 2.936 11.390 7.832 1.00 0.00 S ATOM 0 H CYS A 31 2.907 8.802 4.515 1.00 0.00 H new ATOM 0 HA CYS A 31 4.707 10.857 5.656 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.132 10.776 5.641 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.226 9.382 6.698 1.00 0.00 H new ATOM 0 HG CYS A 31 4.060 11.130 8.431 1.00 0.00 H new ATOM 245 N GLY A 32 4.900 7.789 6.563 1.00 0.00 N ATOM 246 CA GLY A 32 5.653 6.867 7.451 1.00 0.00 C ATOM 247 C GLY A 32 4.694 5.888 8.132 1.00 0.00 C ATOM 248 O GLY A 32 4.579 5.868 9.341 1.00 0.00 O ATOM 0 H GLY A 32 4.407 7.341 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.395 6.317 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.196 7.438 8.204 1.00 0.00 H new ATOM 252 N ILE A 33 4.023 5.053 7.382 1.00 0.00 N ATOM 253 CA ILE A 33 3.116 4.077 8.033 1.00 0.00 C ATOM 254 C ILE A 33 3.974 2.926 8.571 1.00 0.00 C ATOM 255 O ILE A 33 4.938 3.148 9.278 1.00 0.00 O ATOM 256 CB ILE A 33 2.117 3.622 6.939 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.966 2.853 7.595 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.799 2.720 5.899 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.365 3.510 7.224 1.00 0.00 C ATOM 0 H ILE A 33 4.065 5.008 6.364 1.00 0.00 H new ATOM 0 HA ILE A 33 2.558 4.486 8.875 1.00 0.00 H new ATOM 0 HB ILE A 33 1.741 4.509 6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.975 1.814 7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.090 2.845 8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.071 2.418 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.611 3.267 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.199 1.834 6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.184 2.962 7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.372 4.542 7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.489 3.494 6.141 1.00 0.00 H new ATOM 271 N ASN A 34 3.653 1.717 8.250 1.00 0.00 N ATOM 272 CA ASN A 34 4.472 0.571 8.750 1.00 0.00 C ATOM 273 C ASN A 34 5.651 0.309 7.806 1.00 0.00 C ATOM 274 O ASN A 34 6.144 1.204 7.150 1.00 0.00 O ATOM 275 CB ASN A 34 3.523 -0.626 8.759 1.00 0.00 C ATOM 276 CG ASN A 34 2.310 -0.310 9.635 1.00 0.00 C ATOM 277 OD1 ASN A 34 1.281 0.109 9.142 1.00 0.00 O ATOM 278 ND2 ASN A 34 2.388 -0.492 10.925 1.00 0.00 N ATOM 0 H ASN A 34 2.859 1.461 7.663 1.00 0.00 H new ATOM 0 HA ASN A 34 4.890 0.767 9.737 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.201 -0.856 7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.038 -1.509 9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.586 -0.283 11.519 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.251 -0.844 11.339 1.00 0.00 H new ATOM 285 N ALA A 35 6.103 -0.916 7.735 1.00 0.00 N ATOM 286 CA ALA A 35 7.251 -1.247 6.836 1.00 0.00 C ATOM 287 C ALA A 35 7.027 -0.676 5.442 1.00 0.00 C ATOM 288 O ALA A 35 7.951 -0.525 4.665 1.00 0.00 O ATOM 289 CB ALA A 35 7.267 -2.773 6.748 1.00 0.00 C ATOM 0 H ALA A 35 5.726 -1.704 8.262 1.00 0.00 H new ATOM 0 HA ALA A 35 8.183 -0.833 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.086 -3.092 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.405 -3.193 7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.321 -3.124 6.334 1.00 0.00 H new ATOM 295 N ASN A 36 5.807 -0.394 5.099 1.00 0.00 N ATOM 296 CA ASN A 36 5.538 0.119 3.737 1.00 0.00 C ATOM 297 C ASN A 36 6.463 1.270 3.373 1.00 0.00 C ATOM 298 O ASN A 36 7.339 1.115 2.548 1.00 0.00 O ATOM 299 CB ASN A 36 4.101 0.622 3.732 1.00 0.00 C ATOM 300 CG ASN A 36 3.140 -0.539 3.990 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.307 -1.282 4.937 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.131 -0.727 3.185 1.00 0.00 N ATOM 0 H ASN A 36 4.989 -0.496 5.700 1.00 0.00 H new ATOM 0 HA ASN A 36 5.703 -0.676 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.972 1.388 4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.873 1.087 2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.483 -1.497 3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.990 -0.104 2.390 1.00 0.00 H new ATOM 309 N ASP A 37 6.238 2.425 3.942 1.00 0.00 N ATOM 310 CA ASP A 37 7.067 3.619 3.602 1.00 0.00 C ATOM 311 C ASP A 37 8.446 3.197 3.097 1.00 0.00 C ATOM 312 O ASP A 37 8.859 3.554 2.009 1.00 0.00 O ATOM 313 CB ASP A 37 7.191 4.396 4.915 1.00 0.00 C ATOM 314 CG ASP A 37 8.341 5.401 4.815 1.00 0.00 C ATOM 315 OD1 ASP A 37 8.587 5.884 3.722 1.00 0.00 O ATOM 316 OD2 ASP A 37 8.956 5.670 5.833 1.00 0.00 O ATOM 0 H ASP A 37 5.508 2.594 4.634 1.00 0.00 H new ATOM 0 HA ASP A 37 6.617 4.216 2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.258 4.917 5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.369 3.707 5.741 1.00 0.00 H new ATOM 321 N VAL A 38 9.144 2.423 3.878 1.00 0.00 N ATOM 322 CA VAL A 38 10.495 1.963 3.469 1.00 0.00 C ATOM 323 C VAL A 38 10.485 1.322 2.083 1.00 0.00 C ATOM 324 O VAL A 38 10.975 1.893 1.131 1.00 0.00 O ATOM 325 CB VAL A 38 10.906 0.931 4.518 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.383 0.583 4.330 1.00 0.00 C ATOM 327 CG2 VAL A 38 10.694 1.509 5.918 1.00 0.00 C ATOM 0 H VAL A 38 8.832 2.088 4.789 1.00 0.00 H new ATOM 0 HA VAL A 38 11.187 2.803 3.411 1.00 0.00 H new ATOM 0 HB VAL A 38 10.299 0.033 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.681 -0.153 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.536 0.171 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.987 1.483 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.988 0.771 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.301 2.407 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.642 1.762 6.052 1.00 0.00 H new ATOM 337 N LYS A 39 9.967 0.130 1.956 1.00 0.00 N ATOM 338 CA LYS A 39 9.989 -0.528 0.616 1.00 0.00 C ATOM 339 C LYS A 39 8.744 -0.208 -0.211 1.00 0.00 C ATOM 340 O LYS A 39 8.819 -0.085 -1.414 1.00 0.00 O ATOM 341 CB LYS A 39 10.102 -2.031 0.884 1.00 0.00 C ATOM 342 CG LYS A 39 9.056 -2.472 1.908 1.00 0.00 C ATOM 343 CD LYS A 39 9.749 -2.855 3.217 1.00 0.00 C ATOM 344 CE LYS A 39 10.875 -3.853 2.926 1.00 0.00 C ATOM 345 NZ LYS A 39 11.089 -4.587 4.207 1.00 0.00 N ATOM 0 H LYS A 39 9.536 -0.410 2.707 1.00 0.00 H new ATOM 0 HA LYS A 39 10.828 -0.160 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.965 -2.583 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.101 -2.267 1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.343 -1.667 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.490 -3.320 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.153 -1.966 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.029 -3.294 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.598 -4.536 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.783 -3.340 2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.847 -5.288 4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.359 -3.914 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.210 -5.072 4.480 1.00 0.00 H new ATOM 359 N LYS A 40 7.601 -0.080 0.398 1.00 0.00 N ATOM 360 CA LYS A 40 6.386 0.216 -0.407 1.00 0.00 C ATOM 361 C LYS A 40 6.649 1.377 -1.352 1.00 0.00 C ATOM 362 O LYS A 40 6.461 1.267 -2.540 1.00 0.00 O ATOM 363 CB LYS A 40 5.317 0.598 0.584 1.00 0.00 C ATOM 364 CG LYS A 40 4.055 -0.193 0.274 1.00 0.00 C ATOM 365 CD LYS A 40 3.254 0.511 -0.815 1.00 0.00 C ATOM 366 CE LYS A 40 2.854 1.895 -0.323 1.00 0.00 C ATOM 367 NZ LYS A 40 3.262 2.816 -1.414 1.00 0.00 N ATOM 0 H LYS A 40 7.455 -0.166 1.404 1.00 0.00 H new ATOM 0 HA LYS A 40 6.092 -0.642 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.653 0.390 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.115 1.668 0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.317 -1.200 -0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.449 -0.295 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.848 0.593 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.366 -0.070 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.782 1.954 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.355 2.143 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.325 3.786 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.189 2.526 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.558 2.782 -2.178 1.00 0.00 H new ATOM 381 N LEU A 41 7.060 2.503 -0.836 1.00 0.00 N ATOM 382 CA LEU A 41 7.295 3.666 -1.739 1.00 0.00 C ATOM 383 C LEU A 41 8.712 3.664 -2.322 1.00 0.00 C ATOM 384 O LEU A 41 8.914 4.056 -3.454 1.00 0.00 O ATOM 385 CB LEU A 41 7.049 4.907 -0.869 1.00 0.00 C ATOM 386 CG LEU A 41 8.327 5.302 -0.125 1.00 0.00 C ATOM 387 CD1 LEU A 41 9.164 6.234 -1.000 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.958 6.020 1.171 1.00 0.00 C ATOM 0 H LEU A 41 7.241 2.668 0.154 1.00 0.00 H new ATOM 0 HA LEU A 41 6.632 3.637 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.714 5.735 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.252 4.704 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 41 8.904 4.406 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.073 6.514 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.428 5.724 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.589 7.130 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.867 6.302 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.381 6.915 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.363 5.356 1.798 1.00 0.00 H new ATOM 400 N GLU A 42 9.700 3.233 -1.588 1.00 0.00 N ATOM 401 CA GLU A 42 11.071 3.235 -2.166 1.00 0.00 C ATOM 402 C GLU A 42 11.121 2.248 -3.323 1.00 0.00 C ATOM 403 O GLU A 42 11.806 2.449 -4.307 1.00 0.00 O ATOM 404 CB GLU A 42 12.005 2.799 -1.038 1.00 0.00 C ATOM 405 CG GLU A 42 13.456 2.905 -1.508 1.00 0.00 C ATOM 406 CD GLU A 42 14.171 1.577 -1.254 1.00 0.00 C ATOM 407 OE1 GLU A 42 13.491 0.568 -1.161 1.00 0.00 O ATOM 408 OE2 GLU A 42 15.388 1.591 -1.156 1.00 0.00 O ATOM 0 H GLU A 42 9.621 2.886 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 42 11.361 4.213 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.849 3.426 -0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.781 1.774 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.489 3.151 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.963 3.711 -0.978 1.00 0.00 H new ATOM 415 N GLU A 43 10.377 1.193 -3.215 1.00 0.00 N ATOM 416 CA GLU A 43 10.340 0.192 -4.305 1.00 0.00 C ATOM 417 C GLU A 43 10.221 0.908 -5.650 1.00 0.00 C ATOM 418 O GLU A 43 11.153 0.968 -6.427 1.00 0.00 O ATOM 419 CB GLU A 43 9.081 -0.615 -4.006 1.00 0.00 C ATOM 420 CG GLU A 43 9.463 -1.832 -3.169 1.00 0.00 C ATOM 421 CD GLU A 43 8.217 -2.453 -2.544 1.00 0.00 C ATOM 422 OE1 GLU A 43 7.331 -1.706 -2.173 1.00 0.00 O ATOM 423 OE2 GLU A 43 8.170 -3.667 -2.449 1.00 0.00 O ATOM 0 H GLU A 43 9.787 0.979 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 43 11.232 -0.433 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.358 -0.001 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.605 -0.930 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.971 -2.567 -3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.164 -1.539 -2.387 1.00 0.00 H new ATOM 430 N ALA A 44 9.073 1.460 -5.914 1.00 0.00 N ATOM 431 CA ALA A 44 8.861 2.194 -7.193 1.00 0.00 C ATOM 432 C ALA A 44 8.320 3.590 -6.904 1.00 0.00 C ATOM 433 O ALA A 44 8.518 4.520 -7.660 1.00 0.00 O ATOM 434 CB ALA A 44 7.797 1.396 -7.935 1.00 0.00 C ATOM 0 H ALA A 44 8.264 1.435 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 44 9.785 2.297 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.584 1.874 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.158 0.382 -8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.886 1.360 -7.337 1.00 0.00 H new ATOM 440 N GLY A 45 7.611 3.727 -5.822 1.00 0.00 N ATOM 441 CA GLY A 45 7.017 5.042 -5.477 1.00 0.00 C ATOM 442 C GLY A 45 5.502 4.876 -5.390 1.00 0.00 C ATOM 443 O GLY A 45 4.749 5.762 -5.741 1.00 0.00 O ATOM 0 H GLY A 45 7.417 2.978 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.415 5.401 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.275 5.785 -6.232 1.00 0.00 H new ATOM 447 N PHE A 46 5.048 3.736 -4.929 1.00 0.00 N ATOM 448 CA PHE A 46 3.563 3.506 -4.829 1.00 0.00 C ATOM 449 C PHE A 46 2.916 4.377 -3.745 1.00 0.00 C ATOM 450 O PHE A 46 1.778 4.159 -3.389 1.00 0.00 O ATOM 451 CB PHE A 46 3.394 2.038 -4.445 1.00 0.00 C ATOM 452 CG PHE A 46 4.065 1.171 -5.468 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.407 0.859 -5.310 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.354 0.683 -6.571 1.00 0.00 C ATOM 455 CE1 PHE A 46 6.054 0.065 -6.235 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.004 -0.123 -7.512 1.00 0.00 C ATOM 457 CZ PHE A 46 5.360 -0.433 -7.344 1.00 0.00 C ATOM 0 H PHE A 46 5.631 2.958 -4.619 1.00 0.00 H new ATOM 0 HA PHE A 46 3.083 3.761 -5.774 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.825 1.857 -3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.335 1.788 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.949 1.240 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.309 0.927 -6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.099 -0.173 -6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.462 -0.505 -8.365 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.868 -1.054 -8.067 1.00 0.00 H new ATOM 467 N HIS A 47 3.621 5.332 -3.202 1.00 0.00 N ATOM 468 CA HIS A 47 3.028 6.193 -2.128 1.00 0.00 C ATOM 469 C HIS A 47 1.749 6.888 -2.609 1.00 0.00 C ATOM 470 O HIS A 47 1.716 8.088 -2.794 1.00 0.00 O ATOM 471 CB HIS A 47 4.107 7.230 -1.811 1.00 0.00 C ATOM 472 CG HIS A 47 4.515 7.934 -3.077 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.594 7.517 -3.840 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.998 9.030 -3.726 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.691 8.350 -4.894 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.743 9.290 -4.872 1.00 0.00 N ATOM 0 H HIS A 47 4.584 5.557 -3.453 1.00 0.00 H new ATOM 0 HA HIS A 47 2.745 5.603 -1.256 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.731 7.952 -1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.971 6.744 -1.358 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.143 9.602 -3.396 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.444 8.268 -5.664 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.596 10.038 -5.550 1.00 0.00 H new ATOM 484 N THR A 48 0.697 6.138 -2.799 1.00 0.00 N ATOM 485 CA THR A 48 -0.598 6.731 -3.257 1.00 0.00 C ATOM 486 C THR A 48 -1.535 5.628 -3.762 1.00 0.00 C ATOM 487 O THR A 48 -1.214 4.458 -3.709 1.00 0.00 O ATOM 488 CB THR A 48 -0.243 7.687 -4.402 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.401 7.929 -5.189 1.00 0.00 O ATOM 490 CG2 THR A 48 0.846 7.066 -5.279 1.00 0.00 C ATOM 0 H THR A 48 0.677 5.128 -2.655 1.00 0.00 H new ATOM 0 HA THR A 48 -1.110 7.250 -2.446 1.00 0.00 H new ATOM 0 HB THR A 48 0.123 8.626 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.177 8.541 -5.921 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.094 7.750 -6.091 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.736 6.880 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.486 6.125 -5.695 1.00 0.00 H new ATOM 498 N VAL A 49 -2.692 6.008 -4.237 1.00 0.00 N ATOM 499 CA VAL A 49 -3.692 5.017 -4.758 1.00 0.00 C ATOM 500 C VAL A 49 -3.007 3.800 -5.396 1.00 0.00 C ATOM 501 O VAL A 49 -3.544 2.711 -5.388 1.00 0.00 O ATOM 502 CB VAL A 49 -4.491 5.783 -5.812 1.00 0.00 C ATOM 503 CG1 VAL A 49 -5.231 6.947 -5.150 1.00 0.00 C ATOM 504 CG2 VAL A 49 -3.537 6.324 -6.881 1.00 0.00 C ATOM 0 H VAL A 49 -2.995 6.980 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.317 4.626 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.215 5.113 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.800 7.492 -5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.911 6.561 -4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.510 7.619 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.106 6.870 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.812 6.993 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.013 5.494 -7.355 1.00 0.00 H new ATOM 514 N GLU A 50 -1.835 3.978 -5.949 1.00 0.00 N ATOM 515 CA GLU A 50 -1.112 2.833 -6.586 1.00 0.00 C ATOM 516 C GLU A 50 -1.327 1.532 -5.801 1.00 0.00 C ATOM 517 O GLU A 50 -1.264 0.452 -6.354 1.00 0.00 O ATOM 518 CB GLU A 50 0.363 3.233 -6.543 1.00 0.00 C ATOM 519 CG GLU A 50 0.747 3.909 -7.860 1.00 0.00 C ATOM 520 CD GLU A 50 1.599 2.953 -8.697 1.00 0.00 C ATOM 521 OE1 GLU A 50 1.272 1.779 -8.737 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.565 3.413 -9.284 1.00 0.00 O ATOM 0 H GLU A 50 -1.344 4.871 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.470 2.645 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.543 3.911 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.985 2.353 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.150 4.190 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.300 4.827 -7.662 1.00 0.00 H new ATOM 529 N ALA A 51 -1.571 1.625 -4.517 1.00 0.00 N ATOM 530 CA ALA A 51 -1.783 0.394 -3.699 1.00 0.00 C ATOM 531 C ALA A 51 -2.589 -0.650 -4.481 1.00 0.00 C ATOM 532 O ALA A 51 -2.395 -1.839 -4.325 1.00 0.00 O ATOM 533 CB ALA A 51 -2.568 0.870 -2.478 1.00 0.00 C ATOM 0 H ALA A 51 -1.632 2.502 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.841 -0.083 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.767 0.023 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.986 1.618 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.512 1.309 -2.801 1.00 0.00 H new ATOM 539 N VAL A 52 -3.492 -0.218 -5.319 1.00 0.00 N ATOM 540 CA VAL A 52 -4.304 -1.191 -6.105 1.00 0.00 C ATOM 541 C VAL A 52 -4.481 -0.698 -7.545 1.00 0.00 C ATOM 542 O VAL A 52 -5.585 -0.470 -7.999 1.00 0.00 O ATOM 543 CB VAL A 52 -5.654 -1.247 -5.393 1.00 0.00 C ATOM 544 CG1 VAL A 52 -5.443 -1.572 -3.912 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.352 0.108 -5.525 1.00 0.00 C ATOM 0 H VAL A 52 -3.702 0.765 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.829 -2.170 -6.161 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.272 -2.022 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.408 -1.611 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.945 -2.537 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.825 -0.799 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.316 0.072 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.733 0.882 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.505 0.337 -6.580 1.00 0.00 H new ATOM 555 N ALA A 53 -3.407 -0.531 -8.267 1.00 0.00 N ATOM 556 CA ALA A 53 -3.526 -0.055 -9.676 1.00 0.00 C ATOM 557 C ALA A 53 -2.266 -0.410 -10.470 1.00 0.00 C ATOM 558 O ALA A 53 -1.228 -0.697 -9.910 1.00 0.00 O ATOM 559 CB ALA A 53 -3.677 1.462 -9.571 1.00 0.00 C ATOM 0 H ALA A 53 -2.455 -0.703 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.367 -0.517 -10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.770 1.888 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.568 1.700 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.800 1.882 -9.078 1.00 0.00 H new ATOM 565 N TYR A 54 -2.357 -0.384 -11.774 1.00 0.00 N ATOM 566 CA TYR A 54 -1.174 -0.709 -12.626 1.00 0.00 C ATOM 567 C TYR A 54 -0.670 -2.130 -12.350 1.00 0.00 C ATOM 568 O TYR A 54 -0.835 -3.020 -13.161 1.00 0.00 O ATOM 569 CB TYR A 54 -0.114 0.329 -12.252 1.00 0.00 C ATOM 570 CG TYR A 54 -0.604 1.702 -12.645 1.00 0.00 C ATOM 571 CD1 TYR A 54 -0.787 2.019 -13.997 1.00 0.00 C ATOM 572 CD2 TYR A 54 -0.882 2.656 -11.659 1.00 0.00 C ATOM 573 CE1 TYR A 54 -1.246 3.290 -14.362 1.00 0.00 C ATOM 574 CE2 TYR A 54 -1.340 3.928 -12.025 1.00 0.00 C ATOM 575 CZ TYR A 54 -1.523 4.244 -13.377 1.00 0.00 C ATOM 576 OH TYR A 54 -1.975 5.497 -13.738 1.00 0.00 O ATOM 0 H TYR A 54 -3.206 -0.150 -12.289 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.419 -0.676 -13.688 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.085 0.294 -11.181 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.825 0.106 -12.758 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.574 1.283 -14.758 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.743 2.411 -10.616 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.386 3.534 -15.405 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.552 4.665 -11.265 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.120 6.037 -12.933 1.00 0.00 H new ATOM 586 N ALA A 55 -0.046 -2.353 -11.226 1.00 0.00 N ATOM 587 CA ALA A 55 0.474 -3.721 -10.926 1.00 0.00 C ATOM 588 C ALA A 55 -0.175 -4.287 -9.659 1.00 0.00 C ATOM 589 O ALA A 55 -0.707 -3.554 -8.850 1.00 0.00 O ATOM 590 CB ALA A 55 1.975 -3.529 -10.717 1.00 0.00 C ATOM 0 H ALA A 55 0.127 -1.653 -10.505 1.00 0.00 H new ATOM 0 HA ALA A 55 0.253 -4.426 -11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.437 -4.490 -10.491 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.419 -3.118 -11.624 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.142 -2.842 -9.887 1.00 0.00 H new ATOM 596 N PRO A 56 -0.096 -5.587 -9.532 1.00 0.00 N ATOM 597 CA PRO A 56 -0.674 -6.281 -8.354 1.00 0.00 C ATOM 598 C PRO A 56 0.211 -6.067 -7.121 1.00 0.00 C ATOM 599 O PRO A 56 1.420 -6.195 -7.181 1.00 0.00 O ATOM 600 CB PRO A 56 -0.680 -7.749 -8.770 1.00 0.00 C ATOM 601 CG PRO A 56 0.396 -7.868 -9.803 1.00 0.00 C ATOM 602 CD PRO A 56 0.527 -6.523 -10.474 1.00 0.00 C ATOM 0 HA PRO A 56 -1.665 -5.916 -8.085 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.482 -8.400 -7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.649 -8.040 -9.176 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.340 -8.161 -9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.145 -8.638 -10.532 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.571 -6.269 -10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.023 -6.510 -11.440 1.00 0.00 H new ATOM 610 N LYS A 57 -0.383 -5.737 -6.007 1.00 0.00 N ATOM 611 CA LYS A 57 0.420 -5.510 -4.770 1.00 0.00 C ATOM 612 C LYS A 57 1.384 -6.679 -4.532 1.00 0.00 C ATOM 613 O LYS A 57 2.429 -6.519 -3.933 1.00 0.00 O ATOM 614 CB LYS A 57 -0.606 -5.412 -3.635 1.00 0.00 C ATOM 615 CG LYS A 57 -1.378 -6.730 -3.507 1.00 0.00 C ATOM 616 CD LYS A 57 -2.648 -6.667 -4.358 1.00 0.00 C ATOM 617 CE LYS A 57 -3.844 -7.136 -3.526 1.00 0.00 C ATOM 618 NZ LYS A 57 -5.003 -7.091 -4.459 1.00 0.00 N ATOM 0 H LYS A 57 -1.390 -5.615 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 57 1.032 -4.611 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.101 -5.185 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.299 -4.593 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.753 -7.562 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.636 -6.912 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.813 -5.648 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.538 -7.295 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.686 -8.143 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.005 -6.487 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.862 -7.399 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.133 -6.119 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.825 -7.724 -5.265 1.00 0.00 H new ATOM 632 N LYS A 58 1.045 -7.848 -4.999 1.00 0.00 N ATOM 633 CA LYS A 58 1.948 -9.020 -4.797 1.00 0.00 C ATOM 634 C LYS A 58 3.176 -8.889 -5.698 1.00 0.00 C ATOM 635 O LYS A 58 4.234 -9.421 -5.423 1.00 0.00 O ATOM 636 CB LYS A 58 1.112 -10.235 -5.203 1.00 0.00 C ATOM 637 CG LYS A 58 1.314 -11.360 -4.188 1.00 0.00 C ATOM 638 CD LYS A 58 2.092 -12.503 -4.843 1.00 0.00 C ATOM 639 CE LYS A 58 1.329 -13.815 -4.655 1.00 0.00 C ATOM 640 NZ LYS A 58 0.317 -13.828 -5.746 1.00 0.00 N ATOM 0 H LYS A 58 0.185 -8.044 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 58 2.308 -9.099 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.058 -9.963 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.403 -10.573 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.856 -10.987 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.349 -11.720 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.231 -12.300 -5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.085 -12.581 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.996 -14.674 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.854 -13.859 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.248 -14.699 -5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.308 -13.002 -5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.799 -13.792 -6.667 1.00 0.00 H new ATOM 654 N GLU A 59 3.044 -8.165 -6.768 1.00 0.00 N ATOM 655 CA GLU A 59 4.197 -7.984 -7.694 1.00 0.00 C ATOM 656 C GLU A 59 5.105 -6.883 -7.161 1.00 0.00 C ATOM 657 O GLU A 59 6.292 -7.071 -6.985 1.00 0.00 O ATOM 658 CB GLU A 59 3.583 -7.577 -9.034 1.00 0.00 C ATOM 659 CG GLU A 59 4.665 -6.957 -9.924 1.00 0.00 C ATOM 660 CD GLU A 59 4.717 -7.699 -11.260 1.00 0.00 C ATOM 661 OE1 GLU A 59 5.130 -8.847 -11.261 1.00 0.00 O ATOM 662 OE2 GLU A 59 4.346 -7.107 -12.259 1.00 0.00 O ATOM 0 H GLU A 59 2.186 -7.688 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 59 4.800 -8.887 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.147 -8.447 -9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.775 -6.863 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.452 -5.901 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.634 -7.012 -9.428 1.00 0.00 H new ATOM 669 N LEU A 60 4.551 -5.740 -6.885 1.00 0.00 N ATOM 670 CA LEU A 60 5.382 -4.641 -6.344 1.00 0.00 C ATOM 671 C LEU A 60 6.145 -5.172 -5.130 1.00 0.00 C ATOM 672 O LEU A 60 7.359 -5.208 -5.110 1.00 0.00 O ATOM 673 CB LEU A 60 4.368 -3.539 -5.972 1.00 0.00 C ATOM 674 CG LEU A 60 4.657 -2.955 -4.583 1.00 0.00 C ATOM 675 CD1 LEU A 60 6.109 -2.477 -4.515 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.723 -1.775 -4.323 1.00 0.00 C ATOM 0 H LEU A 60 3.563 -5.522 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 60 6.127 -4.252 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.404 -2.744 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.359 -3.950 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 60 4.494 -3.725 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.310 -2.063 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.778 -3.318 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.275 -1.709 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.928 -1.360 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.886 -1.008 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.688 -2.114 -4.366 1.00 0.00 H new ATOM 688 N ILE A 61 5.439 -5.588 -4.119 1.00 0.00 N ATOM 689 CA ILE A 61 6.118 -6.119 -2.914 1.00 0.00 C ATOM 690 C ILE A 61 7.205 -7.083 -3.343 1.00 0.00 C ATOM 691 O ILE A 61 8.248 -7.177 -2.727 1.00 0.00 O ATOM 692 CB ILE A 61 5.031 -6.848 -2.157 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.430 -7.919 -3.069 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.961 -5.842 -1.746 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.255 -9.203 -2.947 1.00 0.00 C ATOM 0 H ILE A 61 4.420 -5.582 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 61 6.586 -5.344 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 61 5.436 -7.325 -1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.393 -8.110 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.424 -7.573 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.170 -6.355 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.406 -5.077 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.541 -5.373 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.832 -9.971 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.284 -9.004 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.237 -9.550 -1.914 1.00 0.00 H new ATOM 707 N ASN A 62 6.980 -7.791 -4.412 1.00 0.00 N ATOM 708 CA ASN A 62 8.016 -8.731 -4.891 1.00 0.00 C ATOM 709 C ASN A 62 9.361 -8.007 -5.000 1.00 0.00 C ATOM 710 O ASN A 62 10.395 -8.636 -5.108 1.00 0.00 O ATOM 711 CB ASN A 62 7.540 -9.194 -6.266 1.00 0.00 C ATOM 712 CG ASN A 62 8.061 -10.607 -6.535 1.00 0.00 C ATOM 713 OD1 ASN A 62 9.227 -10.794 -6.820 1.00 0.00 O ATOM 714 ND2 ASN A 62 7.240 -11.618 -6.453 1.00 0.00 N ATOM 0 H ASN A 62 6.127 -7.757 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 62 8.156 -9.573 -4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.451 -9.182 -6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.897 -8.510 -7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.577 -12.565 -6.628 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.261 -11.462 -6.214 1.00 0.00 H new ATOM 721 N ILE A 63 9.378 -6.693 -4.965 1.00 0.00 N ATOM 722 CA ILE A 63 10.688 -5.996 -5.058 1.00 0.00 C ATOM 723 C ILE A 63 11.566 -6.398 -3.875 1.00 0.00 C ATOM 724 O ILE A 63 12.295 -7.368 -3.925 1.00 0.00 O ATOM 725 CB ILE A 63 10.365 -4.506 -5.009 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.800 -4.056 -6.358 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.648 -3.729 -4.708 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.870 -2.859 -6.149 1.00 0.00 C ATOM 0 H ILE A 63 8.559 -6.092 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 63 11.230 -6.252 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 63 9.626 -4.316 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.612 -3.785 -7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.256 -4.875 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.427 -2.662 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 63 12.051 -4.050 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.382 -3.921 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.468 -2.539 -7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.051 -3.146 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.428 -2.039 -5.698 1.00 0.00 H new ATOM 740 N LYS A 64 11.491 -5.658 -2.812 1.00 0.00 N ATOM 741 CA LYS A 64 12.309 -5.983 -1.612 1.00 0.00 C ATOM 742 C LYS A 64 12.056 -7.429 -1.185 1.00 0.00 C ATOM 743 O LYS A 64 12.857 -8.038 -0.504 1.00 0.00 O ATOM 744 CB LYS A 64 11.836 -5.013 -0.531 1.00 0.00 C ATOM 745 CG LYS A 64 12.785 -3.814 -0.477 1.00 0.00 C ATOM 746 CD LYS A 64 14.109 -4.241 0.159 1.00 0.00 C ATOM 747 CE LYS A 64 15.272 -3.590 -0.593 1.00 0.00 C ATOM 748 NZ LYS A 64 16.129 -2.990 0.466 1.00 0.00 N ATOM 0 H LYS A 64 10.895 -4.835 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 64 13.378 -5.887 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.821 -4.679 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.809 -5.514 0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.959 -3.429 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.335 -3.006 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.131 -3.948 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.205 -5.326 0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.824 -4.325 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.916 -2.831 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.949 -2.524 0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.579 -2.289 1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.459 -3.737 1.110 1.00 0.00 H new ATOM 762 N GLY A 65 10.946 -7.986 -1.587 1.00 0.00 N ATOM 763 CA GLY A 65 10.641 -9.393 -1.211 1.00 0.00 C ATOM 764 C GLY A 65 9.487 -9.419 -0.208 1.00 0.00 C ATOM 765 O GLY A 65 9.301 -10.383 0.508 1.00 0.00 O ATOM 0 H GLY A 65 10.238 -7.526 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.377 -9.968 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.523 -9.863 -0.777 1.00 0.00 H new ATOM 769 N ILE A 66 8.707 -8.373 -0.147 1.00 0.00 N ATOM 770 CA ILE A 66 7.571 -8.357 0.814 1.00 0.00 C ATOM 771 C ILE A 66 6.353 -9.066 0.208 1.00 0.00 C ATOM 772 O ILE A 66 6.486 -10.061 -0.471 1.00 0.00 O ATOM 773 CB ILE A 66 7.241 -6.884 1.082 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.473 -5.989 0.913 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.735 -6.755 2.510 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.373 -5.235 -0.413 1.00 0.00 C ATOM 0 H ILE A 66 8.808 -7.534 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 66 7.833 -8.876 1.736 1.00 0.00 H new ATOM 0 HB ILE A 66 6.487 -6.563 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.540 -5.284 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.380 -6.592 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.495 -5.712 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.841 -7.365 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.506 -7.095 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.248 -4.597 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.326 -5.949 -1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.473 -4.620 -0.415 1.00 0.00 H new ATOM 788 N SER A 67 5.173 -8.546 0.455 1.00 0.00 N ATOM 789 CA SER A 67 3.911 -9.153 -0.081 1.00 0.00 C ATOM 790 C SER A 67 2.745 -8.608 0.747 1.00 0.00 C ATOM 791 O SER A 67 2.619 -7.413 0.929 1.00 0.00 O ATOM 792 CB SER A 67 4.057 -10.667 0.109 1.00 0.00 C ATOM 793 OG SER A 67 4.490 -10.937 1.436 1.00 0.00 O ATOM 0 H SER A 67 5.029 -7.708 1.018 1.00 0.00 H new ATOM 0 HA SER A 67 3.731 -8.920 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.105 -11.162 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.774 -11.067 -0.608 1.00 0.00 H new ATOM 0 HG SER A 67 4.582 -11.905 1.559 1.00 0.00 H new ATOM 799 N GLU A 68 1.913 -9.454 1.290 1.00 0.00 N ATOM 800 CA GLU A 68 0.804 -8.938 2.130 1.00 0.00 C ATOM 801 C GLU A 68 1.401 -8.104 3.260 1.00 0.00 C ATOM 802 O GLU A 68 0.727 -7.318 3.896 1.00 0.00 O ATOM 803 CB GLU A 68 0.115 -10.183 2.689 1.00 0.00 C ATOM 804 CG GLU A 68 -1.401 -10.029 2.568 1.00 0.00 C ATOM 805 CD GLU A 68 -2.084 -11.299 3.079 1.00 0.00 C ATOM 806 OE1 GLU A 68 -1.617 -11.841 4.067 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.062 -11.707 2.474 1.00 0.00 O ATOM 0 H GLU A 68 1.954 -10.468 1.188 1.00 0.00 H new ATOM 0 HA GLU A 68 0.103 -8.311 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.445 -11.068 2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.394 -10.327 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.737 -9.166 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.677 -9.847 1.529 1.00 0.00 H new ATOM 814 N ALA A 69 2.672 -8.279 3.516 1.00 0.00 N ATOM 815 CA ALA A 69 3.329 -7.512 4.605 1.00 0.00 C ATOM 816 C ALA A 69 2.927 -6.039 4.548 1.00 0.00 C ATOM 817 O ALA A 69 2.079 -5.582 5.290 1.00 0.00 O ATOM 818 CB ALA A 69 4.827 -7.666 4.349 1.00 0.00 C ATOM 0 H ALA A 69 3.282 -8.924 3.013 1.00 0.00 H new ATOM 0 HA ALA A 69 3.040 -7.876 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.384 -7.126 5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.095 -8.722 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.072 -7.261 3.367 1.00 0.00 H new ATOM 824 N LYS A 70 3.532 -5.291 3.676 1.00 0.00 N ATOM 825 CA LYS A 70 3.193 -3.853 3.575 1.00 0.00 C ATOM 826 C LYS A 70 2.021 -3.643 2.606 1.00 0.00 C ATOM 827 O LYS A 70 1.105 -2.902 2.891 1.00 0.00 O ATOM 828 CB LYS A 70 4.507 -3.187 3.114 1.00 0.00 C ATOM 829 CG LYS A 70 4.471 -2.758 1.639 1.00 0.00 C ATOM 830 CD LYS A 70 5.106 -3.833 0.760 1.00 0.00 C ATOM 831 CE LYS A 70 5.030 -3.385 -0.701 1.00 0.00 C ATOM 832 NZ LYS A 70 3.573 -3.259 -0.993 1.00 0.00 N ATOM 0 H LYS A 70 4.249 -5.616 3.027 1.00 0.00 H new ATOM 0 HA LYS A 70 2.849 -3.415 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.705 -2.315 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.334 -3.881 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.441 -2.586 1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.003 -1.815 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.144 -3.994 1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.587 -4.782 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.545 -2.436 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.503 -4.112 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.419 -3.309 -2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.057 -4.033 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.225 -2.347 -0.635 1.00 0.00 H new ATOM 846 N ALA A 71 2.036 -4.286 1.467 1.00 0.00 N ATOM 847 CA ALA A 71 0.908 -4.095 0.498 1.00 0.00 C ATOM 848 C ALA A 71 -0.436 -4.249 1.201 1.00 0.00 C ATOM 849 O ALA A 71 -1.365 -3.511 0.950 1.00 0.00 O ATOM 850 CB ALA A 71 1.074 -5.184 -0.557 1.00 0.00 C ATOM 0 H ALA A 71 2.769 -4.928 1.166 1.00 0.00 H new ATOM 0 HA ALA A 71 0.930 -3.098 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.278 -5.099 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.040 -5.070 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.023 -6.163 -0.081 1.00 0.00 H new ATOM 856 N ASP A 72 -0.558 -5.196 2.078 1.00 0.00 N ATOM 857 CA ASP A 72 -1.855 -5.361 2.781 1.00 0.00 C ATOM 858 C ASP A 72 -1.908 -4.394 3.957 1.00 0.00 C ATOM 859 O ASP A 72 -2.960 -3.933 4.350 1.00 0.00 O ATOM 860 CB ASP A 72 -1.881 -6.814 3.258 1.00 0.00 C ATOM 861 CG ASP A 72 -3.331 -7.281 3.401 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.146 -6.879 2.586 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.602 -8.035 4.321 1.00 0.00 O ATOM 0 H ASP A 72 0.174 -5.857 2.338 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.713 -5.148 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.352 -7.450 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.364 -6.903 4.213 1.00 0.00 H new ATOM 868 N LYS A 73 -0.775 -4.068 4.512 1.00 0.00 N ATOM 869 CA LYS A 73 -0.766 -3.116 5.648 1.00 0.00 C ATOM 870 C LYS A 73 -1.389 -1.786 5.216 1.00 0.00 C ATOM 871 O LYS A 73 -1.934 -1.061 6.023 1.00 0.00 O ATOM 872 CB LYS A 73 0.705 -2.927 6.005 1.00 0.00 C ATOM 873 CG LYS A 73 0.808 -1.961 7.185 1.00 0.00 C ATOM 874 CD LYS A 73 1.056 -2.751 8.471 1.00 0.00 C ATOM 875 CE LYS A 73 0.007 -2.360 9.516 1.00 0.00 C ATOM 876 NZ LYS A 73 -1.109 -3.330 9.325 1.00 0.00 N ATOM 0 H LYS A 73 0.139 -4.419 4.228 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.341 -3.482 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.157 -3.885 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.254 -2.535 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.619 -1.252 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.110 -1.380 7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.004 -3.821 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.057 -2.546 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.414 -2.421 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.332 -1.334 9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.836 -2.907 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.744 -4.196 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.527 -3.565 10.248 1.00 0.00 H new ATOM 890 N ILE A 74 -1.326 -1.460 3.948 1.00 0.00 N ATOM 891 CA ILE A 74 -1.942 -0.169 3.504 1.00 0.00 C ATOM 892 C ILE A 74 -3.420 -0.375 3.182 1.00 0.00 C ATOM 893 O ILE A 74 -4.270 0.372 3.624 1.00 0.00 O ATOM 894 CB ILE A 74 -1.194 0.320 2.248 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.679 -0.850 1.412 1.00 0.00 C ATOM 896 CG2 ILE A 74 -0.016 1.204 2.655 1.00 0.00 C ATOM 897 CD1 ILE A 74 -0.117 -0.320 0.093 1.00 0.00 C ATOM 0 H ILE A 74 -0.886 -2.017 3.215 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.864 0.572 4.299 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.899 0.891 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.094 -1.390 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.486 -1.557 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.508 1.546 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.383 2.066 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.669 0.632 3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.252 -1.153 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.903 0.201 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.702 0.370 0.297 1.00 0.00 H new ATOM 909 N LEU A 75 -3.740 -1.378 2.416 1.00 0.00 N ATOM 910 CA LEU A 75 -5.170 -1.613 2.074 1.00 0.00 C ATOM 911 C LEU A 75 -6.000 -1.740 3.352 1.00 0.00 C ATOM 912 O LEU A 75 -7.188 -1.483 3.362 1.00 0.00 O ATOM 913 CB LEU A 75 -5.180 -2.924 1.287 1.00 0.00 C ATOM 914 CG LEU A 75 -5.290 -2.622 -0.208 1.00 0.00 C ATOM 915 CD1 LEU A 75 -3.893 -2.611 -0.833 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.140 -3.701 -0.882 1.00 0.00 C ATOM 0 H LEU A 75 -3.079 -2.042 2.014 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.600 -0.794 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.269 -3.488 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.017 -3.545 1.606 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.757 -1.647 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.973 -2.396 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.285 -1.844 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.424 -3.585 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.220 -3.488 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.671 -4.675 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.135 -3.710 -0.438 1.00 0.00 H new ATOM 928 N ALA A 76 -5.384 -2.123 4.436 1.00 0.00 N ATOM 929 CA ALA A 76 -6.141 -2.253 5.712 1.00 0.00 C ATOM 930 C ALA A 76 -6.160 -0.910 6.443 1.00 0.00 C ATOM 931 O ALA A 76 -7.206 -0.375 6.757 1.00 0.00 O ATOM 932 CB ALA A 76 -5.378 -3.296 6.529 1.00 0.00 C ATOM 0 H ALA A 76 -4.391 -2.351 4.493 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.178 -2.548 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.878 -3.446 7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.352 -4.239 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.359 -2.949 6.702 1.00 0.00 H new ATOM 938 N GLU A 77 -5.007 -0.362 6.713 1.00 0.00 N ATOM 939 CA GLU A 77 -4.948 0.945 7.422 1.00 0.00 C ATOM 940 C GLU A 77 -5.454 2.068 6.512 1.00 0.00 C ATOM 941 O GLU A 77 -5.797 3.138 6.969 1.00 0.00 O ATOM 942 CB GLU A 77 -3.471 1.151 7.758 1.00 0.00 C ATOM 943 CG GLU A 77 -3.125 0.381 9.034 1.00 0.00 C ATOM 944 CD GLU A 77 -2.429 1.317 10.024 1.00 0.00 C ATOM 945 OE1 GLU A 77 -2.679 2.510 9.959 1.00 0.00 O ATOM 946 OE2 GLU A 77 -1.657 0.825 10.830 1.00 0.00 O ATOM 0 H GLU A 77 -4.102 -0.765 6.472 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.573 0.956 8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.848 0.807 6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.263 2.212 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.031 -0.029 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.476 -0.462 8.798 1.00 0.00 H new ATOM 953 N ALA A 78 -5.505 1.841 5.230 1.00 0.00 N ATOM 954 CA ALA A 78 -5.993 2.912 4.317 1.00 0.00 C ATOM 955 C ALA A 78 -7.518 2.846 4.196 1.00 0.00 C ATOM 956 O ALA A 78 -8.187 3.857 4.126 1.00 0.00 O ATOM 957 CB ALA A 78 -5.330 2.620 2.970 1.00 0.00 C ATOM 0 H ALA A 78 -5.233 0.969 4.777 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.747 3.910 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.641 3.369 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.246 2.652 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.629 1.631 2.624 1.00 0.00 H new ATOM 963 N ALA A 79 -8.070 1.666 4.169 1.00 0.00 N ATOM 964 CA ALA A 79 -9.551 1.540 4.049 1.00 0.00 C ATOM 965 C ALA A 79 -10.240 1.929 5.362 1.00 0.00 C ATOM 966 O ALA A 79 -11.425 2.195 5.391 1.00 0.00 O ATOM 967 CB ALA A 79 -9.796 0.065 3.736 1.00 0.00 C ATOM 0 H ALA A 79 -7.562 0.783 4.225 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.954 2.199 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.867 -0.112 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.293 -0.198 2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.404 -0.549 4.547 1.00 0.00 H new ATOM 973 N LYS A 80 -9.519 1.956 6.451 1.00 0.00 N ATOM 974 CA LYS A 80 -10.160 2.318 7.750 1.00 0.00 C ATOM 975 C LYS A 80 -9.617 3.650 8.281 1.00 0.00 C ATOM 976 O LYS A 80 -10.351 4.455 8.819 1.00 0.00 O ATOM 977 CB LYS A 80 -9.797 1.178 8.704 1.00 0.00 C ATOM 978 CG LYS A 80 -10.208 1.555 10.129 1.00 0.00 C ATOM 979 CD LYS A 80 -10.772 0.325 10.842 1.00 0.00 C ATOM 980 CE LYS A 80 -12.139 -0.027 10.253 1.00 0.00 C ATOM 981 NZ LYS A 80 -13.129 0.548 11.207 1.00 0.00 N ATOM 0 H LYS A 80 -8.522 1.745 6.499 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.238 2.443 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.301 0.260 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.726 0.982 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.348 1.943 10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.955 2.349 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.089 -0.517 10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.865 0.522 11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.260 0.396 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.262 -1.106 10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.092 0.347 10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.994 0.122 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.992 1.577 11.271 1.00 0.00 H new ATOM 995 N LEU A 81 -8.340 3.888 8.148 1.00 0.00 N ATOM 996 CA LEU A 81 -7.767 5.166 8.665 1.00 0.00 C ATOM 997 C LEU A 81 -8.102 6.334 7.728 1.00 0.00 C ATOM 998 O LEU A 81 -8.539 7.379 8.166 1.00 0.00 O ATOM 999 CB LEU A 81 -6.257 4.933 8.719 1.00 0.00 C ATOM 1000 CG LEU A 81 -5.645 5.765 9.846 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -4.146 5.470 9.946 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -5.851 7.253 9.552 1.00 0.00 C ATOM 0 H LEU A 81 -7.671 3.257 7.706 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.175 5.428 9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.048 3.875 8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.803 5.205 7.766 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.129 5.509 10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.711 6.064 10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.997 4.411 10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.661 5.725 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.415 7.846 10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.368 7.508 8.609 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.918 7.466 9.482 1.00 0.00 H new ATOM 1014 N VAL A 82 -7.903 6.172 6.447 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.217 7.289 5.508 1.00 0.00 C ATOM 1016 C VAL A 82 -9.264 6.844 4.484 1.00 0.00 C ATOM 1017 O VAL A 82 -8.970 6.696 3.316 1.00 0.00 O ATOM 1018 CB VAL A 82 -6.891 7.628 4.824 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -6.482 6.487 3.892 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -7.054 8.914 4.011 1.00 0.00 C ATOM 0 H VAL A 82 -7.540 5.323 6.013 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.633 8.155 6.024 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.120 7.767 5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.537 6.734 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.365 5.570 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.252 6.343 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.111 9.158 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.827 8.772 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.341 9.730 4.674 1.00 0.00 H new