USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=9 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 Set 1.1: A 26 SER OG : rot 111:sc= 0.391 USER MOD Set 1.2: A 30 GLN : amide:sc= 0 X(o=0.39,f=0.26) USER MOD Single : A 31 CYS SG : rot -45:sc= -0.0663 USER MOD Single : A 34 ASN : amide:sc= -0.933 X(o=-0.93,f=-1.2) USER MOD Single : A 36 ASN : amide:sc= -16.2! C(o=-16!,f=-26!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0.0456 (180deg=0.0456) USER MOD Single : A 47 HIS :FLIP no HE2:sc= -0.418 F(o=-1.9,f=-0.42) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.446! 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+ 174:sc= 0 (180deg=-0.0404) USER MOD Single : A 62 ASN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00522 USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= -0.257 (180deg=-0.655) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0484) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -6.202 7.601 -2.119 1.00 0.00 N ATOM 116 CA PRO A 24 -5.292 8.461 -1.330 1.00 0.00 C ATOM 117 C PRO A 24 -4.452 7.595 -0.393 1.00 0.00 C ATOM 118 O PRO A 24 -4.457 7.773 0.809 1.00 0.00 O ATOM 119 CB PRO A 24 -6.238 9.368 -0.548 1.00 0.00 C ATOM 120 CG PRO A 24 -7.518 8.600 -0.457 1.00 0.00 C ATOM 121 CD PRO A 24 -7.599 7.729 -1.684 1.00 0.00 C ATOM 0 HA PRO A 24 -4.589 9.030 -1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.841 9.594 0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.384 10.320 -1.058 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.540 7.993 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.371 9.277 -0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.037 6.757 -1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.218 8.184 -2.457 1.00 0.00 H new ATOM 129 N ILE A 25 -3.730 6.656 -0.940 1.00 0.00 N ATOM 130 CA ILE A 25 -2.890 5.774 -0.090 1.00 0.00 C ATOM 131 C ILE A 25 -1.578 6.477 0.252 1.00 0.00 C ATOM 132 O ILE A 25 -0.826 6.036 1.099 1.00 0.00 O ATOM 133 CB ILE A 25 -2.633 4.532 -0.944 1.00 0.00 C ATOM 134 CG1 ILE A 25 -3.965 4.000 -1.480 1.00 0.00 C ATOM 135 CG2 ILE A 25 -1.960 3.458 -0.088 1.00 0.00 C ATOM 136 CD1 ILE A 25 -4.991 3.945 -0.345 1.00 0.00 C ATOM 0 H ILE A 25 -3.687 6.463 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.371 5.522 0.855 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.983 4.790 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.329 4.643 -2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.826 3.007 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.776 2.572 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.013 3.839 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.611 3.197 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.938 3.566 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.628 3.284 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.138 4.946 0.061 1.00 0.00 H new ATOM 148 N SER A 26 -1.299 7.566 -0.405 1.00 0.00 N ATOM 149 CA SER A 26 -0.033 8.304 -0.124 1.00 0.00 C ATOM 150 C SER A 26 0.023 8.727 1.349 1.00 0.00 C ATOM 151 O SER A 26 0.875 8.291 2.097 1.00 0.00 O ATOM 152 CB SER A 26 -0.081 9.530 -1.033 1.00 0.00 C ATOM 153 OG SER A 26 1.243 9.993 -1.269 1.00 0.00 O ATOM 0 H SER A 26 -1.892 7.979 -1.125 1.00 0.00 H new ATOM 0 HA SER A 26 0.850 7.692 -0.309 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.564 9.278 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.677 10.317 -0.570 1.00 0.00 H new ATOM 0 HG SER A 26 1.486 9.827 -2.204 1.00 0.00 H new ATOM 159 N ARG A 27 -0.876 9.577 1.764 1.00 0.00 N ATOM 160 CA ARG A 27 -0.877 10.040 3.186 1.00 0.00 C ATOM 161 C ARG A 27 -0.611 8.875 4.141 1.00 0.00 C ATOM 162 O ARG A 27 -0.010 9.040 5.181 1.00 0.00 O ATOM 163 CB ARG A 27 -2.278 10.600 3.416 1.00 0.00 C ATOM 164 CG ARG A 27 -2.266 12.113 3.198 1.00 0.00 C ATOM 165 CD ARG A 27 -3.514 12.728 3.832 1.00 0.00 C ATOM 166 NE ARG A 27 -4.106 13.584 2.767 1.00 0.00 N ATOM 167 CZ ARG A 27 -5.301 14.087 2.919 1.00 0.00 C ATOM 168 NH1 ARG A 27 -5.973 13.862 4.017 1.00 0.00 N ATOM 169 NH2 ARG A 27 -5.826 14.820 1.976 1.00 0.00 N ATOM 0 H ARG A 27 -1.613 9.973 1.180 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.097 10.779 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.986 10.129 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.611 10.371 4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.369 12.548 3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.238 12.338 2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.214 11.957 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.260 13.315 4.714 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.577 13.778 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.564 13.292 4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.907 14.256 4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.303 15.000 1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.760 15.213 2.095 1.00 0.00 H new ATOM 183 N LEU A 28 -1.059 7.700 3.807 1.00 0.00 N ATOM 184 CA LEU A 28 -0.828 6.541 4.714 1.00 0.00 C ATOM 185 C LEU A 28 0.562 5.958 4.494 1.00 0.00 C ATOM 186 O LEU A 28 1.467 6.176 5.274 1.00 0.00 O ATOM 187 CB LEU A 28 -1.901 5.519 4.333 1.00 0.00 C ATOM 188 CG LEU A 28 -3.204 5.844 5.064 1.00 0.00 C ATOM 189 CD1 LEU A 28 -2.997 5.672 6.569 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.610 7.290 4.767 1.00 0.00 C ATOM 0 H LEU A 28 -1.572 7.491 2.951 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.887 6.827 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.064 5.533 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.568 4.514 4.592 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.990 5.170 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.925 5.903 7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.707 4.643 6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.211 6.347 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.539 7.521 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.825 7.965 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.755 7.414 3.694 1.00 0.00 H new ATOM 202 N GLU A 29 0.731 5.204 3.450 1.00 0.00 N ATOM 203 CA GLU A 29 2.052 4.574 3.186 1.00 0.00 C ATOM 204 C GLU A 29 3.179 5.614 3.075 1.00 0.00 C ATOM 205 O GLU A 29 4.326 5.326 3.355 1.00 0.00 O ATOM 206 CB GLU A 29 1.875 3.858 1.848 1.00 0.00 C ATOM 207 CG GLU A 29 1.765 4.895 0.729 1.00 0.00 C ATOM 208 CD GLU A 29 0.914 4.331 -0.409 1.00 0.00 C ATOM 209 OE1 GLU A 29 1.011 3.143 -0.661 1.00 0.00 O ATOM 210 OE2 GLU A 29 0.181 5.098 -1.010 1.00 0.00 O ATOM 0 H GLU A 29 0.007 4.994 2.763 1.00 0.00 H new ATOM 0 HA GLU A 29 2.338 3.907 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.720 3.195 1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.981 3.235 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.317 5.812 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.758 5.154 0.361 1.00 0.00 H new ATOM 217 N GLN A 30 2.879 6.805 2.625 1.00 0.00 N ATOM 218 CA GLN A 30 3.956 7.831 2.450 1.00 0.00 C ATOM 219 C GLN A 30 4.206 8.672 3.712 1.00 0.00 C ATOM 220 O GLN A 30 5.312 9.112 3.951 1.00 0.00 O ATOM 221 CB GLN A 30 3.452 8.723 1.316 1.00 0.00 C ATOM 222 CG GLN A 30 4.636 9.445 0.669 1.00 0.00 C ATOM 223 CD GLN A 30 4.419 10.957 0.750 1.00 0.00 C ATOM 224 OE1 GLN A 30 3.798 11.539 -0.117 1.00 0.00 O ATOM 225 NE2 GLN A 30 4.908 11.622 1.760 1.00 0.00 N ATOM 0 H GLN A 30 1.940 7.113 2.372 1.00 0.00 H new ATOM 0 HA GLN A 30 4.911 7.350 2.239 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.928 8.123 0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.736 9.449 1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.562 9.172 1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.739 9.137 -0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.429 11.133 2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.769 12.631 1.822 1.00 0.00 H new ATOM 234 N CYS A 31 3.203 8.935 4.503 1.00 0.00 N ATOM 235 CA CYS A 31 3.425 9.788 5.714 1.00 0.00 C ATOM 236 C CYS A 31 4.063 8.990 6.852 1.00 0.00 C ATOM 237 O CYS A 31 4.175 9.464 7.965 1.00 0.00 O ATOM 238 CB CYS A 31 2.034 10.263 6.121 1.00 0.00 C ATOM 239 SG CYS A 31 2.180 11.713 7.195 1.00 0.00 S ATOM 0 H CYS A 31 2.248 8.603 4.370 1.00 0.00 H new ATOM 0 HA CYS A 31 4.105 10.613 5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.449 10.511 5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.503 9.465 6.640 1.00 0.00 H new ATOM 0 HG CYS A 31 3.107 11.504 8.083 1.00 0.00 H new ATOM 245 N GLY A 32 4.479 7.789 6.589 1.00 0.00 N ATOM 246 CA GLY A 32 5.107 6.971 7.666 1.00 0.00 C ATOM 247 C GLY A 32 4.137 5.871 8.085 1.00 0.00 C ATOM 248 O GLY A 32 3.517 5.934 9.128 1.00 0.00 O ATOM 0 H GLY A 32 4.414 7.335 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.041 6.534 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.354 7.600 8.521 1.00 0.00 H new ATOM 252 N ILE A 33 4.000 4.865 7.274 1.00 0.00 N ATOM 253 CA ILE A 33 3.071 3.756 7.603 1.00 0.00 C ATOM 254 C ILE A 33 3.861 2.590 8.219 1.00 0.00 C ATOM 255 O ILE A 33 4.635 2.777 9.137 1.00 0.00 O ATOM 256 CB ILE A 33 2.454 3.392 6.249 1.00 0.00 C ATOM 257 CG1 ILE A 33 1.280 2.423 6.451 1.00 0.00 C ATOM 258 CG2 ILE A 33 3.519 2.752 5.350 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.038 3.194 6.365 1.00 0.00 C ATOM 0 H ILE A 33 4.497 4.763 6.389 1.00 0.00 H new ATOM 0 HA ILE A 33 2.306 4.014 8.335 1.00 0.00 H new ATOM 0 HB ILE A 33 2.082 4.298 5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.306 1.640 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.363 1.931 7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.076 2.495 4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.336 3.456 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.902 1.850 5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.872 2.507 6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.062 3.960 7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.121 3.665 5.386 1.00 0.00 H new ATOM 271 N ASN A 34 3.691 1.397 7.723 1.00 0.00 N ATOM 272 CA ASN A 34 4.451 0.241 8.282 1.00 0.00 C ATOM 273 C ASN A 34 5.761 0.052 7.510 1.00 0.00 C ATOM 274 O ASN A 34 6.397 1.004 7.102 1.00 0.00 O ATOM 275 CB ASN A 34 3.536 -0.969 8.091 1.00 0.00 C ATOM 276 CG ASN A 34 3.762 -1.962 9.232 1.00 0.00 C ATOM 277 OD1 ASN A 34 4.201 -3.074 9.007 1.00 0.00 O ATOM 278 ND2 ASN A 34 3.482 -1.607 10.455 1.00 0.00 N ATOM 0 H ASN A 34 3.059 1.171 6.955 1.00 0.00 H new ATOM 0 HA ASN A 34 4.715 0.387 9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.494 -0.651 8.072 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.741 -1.446 7.133 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.631 -2.262 11.223 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.114 -0.675 10.644 1.00 0.00 H new ATOM 285 N ALA A 35 6.162 -1.174 7.298 1.00 0.00 N ATOM 286 CA ALA A 35 7.424 -1.436 6.542 1.00 0.00 C ATOM 287 C ALA A 35 7.306 -0.906 5.120 1.00 0.00 C ATOM 288 O ALA A 35 8.280 -0.777 4.401 1.00 0.00 O ATOM 289 CB ALA A 35 7.540 -2.958 6.488 1.00 0.00 C ATOM 0 H ALA A 35 5.669 -2.008 7.617 1.00 0.00 H new ATOM 0 HA ALA A 35 8.282 -0.956 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.445 -3.235 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.587 -3.355 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.671 -3.371 5.977 1.00 0.00 H new ATOM 295 N ASN A 36 6.110 -0.649 4.694 1.00 0.00 N ATOM 296 CA ASN A 36 5.908 -0.185 3.303 1.00 0.00 C ATOM 297 C ASN A 36 6.747 1.042 2.965 1.00 0.00 C ATOM 298 O ASN A 36 7.657 0.966 2.171 1.00 0.00 O ATOM 299 CB ASN A 36 4.436 0.182 3.197 1.00 0.00 C ATOM 300 CG ASN A 36 3.571 -1.061 3.357 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.219 -1.691 2.382 1.00 0.00 O ATOM 302 ND2 ASN A 36 3.201 -1.432 4.552 1.00 0.00 N ATOM 0 H ASN A 36 5.260 -0.740 5.251 1.00 0.00 H new ATOM 0 HA ASN A 36 6.209 -0.970 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.180 0.913 3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.239 0.649 2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.612 -2.256 4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.501 -0.898 5.368 1.00 0.00 H new ATOM 309 N ASP A 37 6.405 2.174 3.524 1.00 0.00 N ATOM 310 CA ASP A 37 7.138 3.439 3.208 1.00 0.00 C ATOM 311 C ASP A 37 8.561 3.150 2.730 1.00 0.00 C ATOM 312 O ASP A 37 8.933 3.474 1.619 1.00 0.00 O ATOM 313 CB ASP A 37 7.162 4.215 4.526 1.00 0.00 C ATOM 314 CG ASP A 37 8.185 5.349 4.434 1.00 0.00 C ATOM 315 OD1 ASP A 37 9.342 5.102 4.730 1.00 0.00 O ATOM 316 OD2 ASP A 37 7.791 6.445 4.071 1.00 0.00 O ATOM 0 H ASP A 37 5.642 2.278 4.193 1.00 0.00 H new ATOM 0 HA ASP A 37 6.656 3.996 2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.173 4.620 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.417 3.547 5.349 1.00 0.00 H new ATOM 321 N VAL A 38 9.347 2.533 3.558 1.00 0.00 N ATOM 322 CA VAL A 38 10.750 2.216 3.179 1.00 0.00 C ATOM 323 C VAL A 38 10.846 1.460 1.847 1.00 0.00 C ATOM 324 O VAL A 38 11.342 1.980 0.864 1.00 0.00 O ATOM 325 CB VAL A 38 11.264 1.327 4.309 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.756 1.064 4.107 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.047 2.030 5.652 1.00 0.00 C ATOM 0 H VAL A 38 9.076 2.230 4.494 1.00 0.00 H new ATOM 0 HA VAL A 38 11.327 3.131 3.044 1.00 0.00 H new ATOM 0 HB VAL A 38 10.722 0.381 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.126 0.429 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.911 0.564 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.296 2.011 4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.414 1.395 6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.589 2.976 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.983 2.220 5.795 1.00 0.00 H new ATOM 337 N LYS A 39 10.413 0.227 1.809 1.00 0.00 N ATOM 338 CA LYS A 39 10.549 -0.554 0.537 1.00 0.00 C ATOM 339 C LYS A 39 9.347 -0.382 -0.393 1.00 0.00 C ATOM 340 O LYS A 39 9.490 -0.389 -1.597 1.00 0.00 O ATOM 341 CB LYS A 39 10.737 -2.035 0.926 1.00 0.00 C ATOM 342 CG LYS A 39 10.048 -2.373 2.252 1.00 0.00 C ATOM 343 CD LYS A 39 11.018 -2.098 3.410 1.00 0.00 C ATOM 344 CE LYS A 39 12.144 -3.137 3.403 1.00 0.00 C ATOM 345 NZ LYS A 39 13.115 -2.669 4.436 1.00 0.00 N ATOM 0 H LYS A 39 9.978 -0.269 2.587 1.00 0.00 H new ATOM 0 HA LYS A 39 11.407 -0.183 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.336 -2.671 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.801 -2.257 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.144 -1.775 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.741 -3.419 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.435 -1.095 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.484 -2.133 4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.764 -4.131 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.614 -3.202 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.914 -3.333 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.466 -1.724 4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.643 -2.624 5.361 1.00 0.00 H new ATOM 359 N LYS A 40 8.170 -0.241 0.124 1.00 0.00 N ATOM 360 CA LYS A 40 7.006 -0.090 -0.786 1.00 0.00 C ATOM 361 C LYS A 40 7.153 1.158 -1.658 1.00 0.00 C ATOM 362 O LYS A 40 7.164 1.077 -2.866 1.00 0.00 O ATOM 363 CB LYS A 40 5.797 0.059 0.113 1.00 0.00 C ATOM 364 CG LYS A 40 4.741 -0.968 -0.284 1.00 0.00 C ATOM 365 CD LYS A 40 3.785 -0.343 -1.296 1.00 0.00 C ATOM 366 CE LYS A 40 3.173 0.924 -0.704 1.00 0.00 C ATOM 367 NZ LYS A 40 1.755 0.906 -1.159 1.00 0.00 N ATOM 0 H LYS A 40 7.960 -0.223 1.122 1.00 0.00 H new ATOM 0 HA LYS A 40 6.920 -0.946 -1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.085 -0.083 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.390 1.067 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.218 -1.849 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.191 -1.300 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.318 -0.106 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.999 -1.052 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.240 0.925 0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.691 1.816 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.263 1.746 -0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.724 0.911 -2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.287 0.048 -0.803 1.00 0.00 H new ATOM 381 N LEU A 41 7.230 2.319 -1.053 1.00 0.00 N ATOM 382 CA LEU A 41 7.316 3.573 -1.861 1.00 0.00 C ATOM 383 C LEU A 41 8.724 3.854 -2.413 1.00 0.00 C ATOM 384 O LEU A 41 8.861 4.487 -3.440 1.00 0.00 O ATOM 385 CB LEU A 41 6.864 4.689 -0.905 1.00 0.00 C ATOM 386 CG LEU A 41 8.072 5.338 -0.219 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.557 6.523 -1.053 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.667 5.836 1.169 1.00 0.00 C ATOM 0 H LEU A 41 7.237 2.451 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 41 6.692 3.496 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.305 5.444 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.189 4.279 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 41 8.870 4.602 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.416 6.984 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.846 6.176 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.755 7.256 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.527 6.297 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.867 6.570 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.318 4.996 1.769 1.00 0.00 H new ATOM 400 N GLU A 42 9.773 3.440 -1.756 1.00 0.00 N ATOM 401 CA GLU A 42 11.118 3.769 -2.307 1.00 0.00 C ATOM 402 C GLU A 42 11.475 2.862 -3.488 1.00 0.00 C ATOM 403 O GLU A 42 12.230 3.242 -4.361 1.00 0.00 O ATOM 404 CB GLU A 42 12.104 3.572 -1.153 1.00 0.00 C ATOM 405 CG GLU A 42 13.426 4.262 -1.498 1.00 0.00 C ATOM 406 CD GLU A 42 14.063 4.820 -0.223 1.00 0.00 C ATOM 407 OE1 GLU A 42 14.488 4.027 0.600 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.114 6.032 -0.093 1.00 0.00 O ATOM 0 H GLU A 42 9.761 2.904 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 42 11.145 4.790 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.693 3.987 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.270 2.509 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.104 3.554 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.252 5.067 -2.212 1.00 0.00 H new ATOM 415 N GLU A 43 10.946 1.676 -3.535 1.00 0.00 N ATOM 416 CA GLU A 43 11.270 0.771 -4.676 1.00 0.00 C ATOM 417 C GLU A 43 10.427 1.143 -5.898 1.00 0.00 C ATOM 418 O GLU A 43 10.460 0.481 -6.916 1.00 0.00 O ATOM 419 CB GLU A 43 10.924 -0.625 -4.176 1.00 0.00 C ATOM 420 CG GLU A 43 11.642 -0.863 -2.848 1.00 0.00 C ATOM 421 CD GLU A 43 13.145 -1.006 -3.094 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.578 -0.700 -4.192 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.838 -1.416 -2.177 1.00 0.00 O ATOM 0 H GLU A 43 10.307 1.292 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 43 12.313 0.841 -4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.846 -0.723 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.226 -1.374 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.452 -0.033 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.255 -1.763 -2.370 1.00 0.00 H new ATOM 430 N ALA A 44 9.675 2.205 -5.800 1.00 0.00 N ATOM 431 CA ALA A 44 8.826 2.640 -6.945 1.00 0.00 C ATOM 432 C ALA A 44 8.113 3.941 -6.590 1.00 0.00 C ATOM 433 O ALA A 44 8.078 4.878 -7.362 1.00 0.00 O ATOM 434 CB ALA A 44 7.803 1.527 -7.131 1.00 0.00 C ATOM 0 H ALA A 44 9.612 2.794 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 44 9.411 2.814 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.140 1.777 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.319 0.592 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.217 1.415 -6.219 1.00 0.00 H new ATOM 440 N GLY A 45 7.541 3.999 -5.421 1.00 0.00 N ATOM 441 CA GLY A 45 6.827 5.234 -5.008 1.00 0.00 C ATOM 442 C GLY A 45 5.319 5.050 -5.193 1.00 0.00 C ATOM 443 O GLY A 45 4.665 5.844 -5.839 1.00 0.00 O ATOM 0 H GLY A 45 7.538 3.244 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.049 5.462 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.174 6.081 -5.600 1.00 0.00 H new ATOM 447 N PHE A 46 4.754 4.019 -4.618 1.00 0.00 N ATOM 448 CA PHE A 46 3.265 3.821 -4.763 1.00 0.00 C ATOM 449 C PHE A 46 2.507 4.699 -3.760 1.00 0.00 C ATOM 450 O PHE A 46 1.365 4.440 -3.450 1.00 0.00 O ATOM 451 CB PHE A 46 2.962 2.350 -4.457 1.00 0.00 C ATOM 452 CG PHE A 46 3.936 1.454 -5.166 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.170 1.207 -4.586 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.601 0.863 -6.389 1.00 0.00 C ATOM 455 CE1 PHE A 46 6.087 0.378 -5.217 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.517 0.021 -7.028 1.00 0.00 C ATOM 457 CZ PHE A 46 5.765 -0.221 -6.442 1.00 0.00 C ATOM 0 H PHE A 46 5.240 3.314 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 46 2.952 4.093 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.016 2.177 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.945 2.110 -4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.419 1.662 -3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.638 1.056 -6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.050 0.194 -4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.262 -0.441 -7.970 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.478 -0.867 -6.933 1.00 0.00 H new ATOM 467 N HIS A 47 3.140 5.719 -3.245 1.00 0.00 N ATOM 468 CA HIS A 47 2.462 6.614 -2.252 1.00 0.00 C ATOM 469 C HIS A 47 1.198 7.236 -2.858 1.00 0.00 C ATOM 470 O HIS A 47 1.155 8.411 -3.156 1.00 0.00 O ATOM 471 CB HIS A 47 3.489 7.703 -1.920 1.00 0.00 C ATOM 472 CG HIS A 47 4.171 8.170 -3.179 1.00 0.00 C ATOM 473 ND1 HIS A 47 3.681 8.664 -4.362 1.00 0.00 N flip ATOM 474 CD2 HIS A 47 5.551 8.156 -3.319 1.00 0.00 C flip ATOM 475 CE1 HIS A 47 4.737 8.953 -5.222 1.00 0.00 C flip ATOM 476 NE2 HIS A 47 5.841 8.629 -4.545 1.00 0.00 N flip ATOM 0 H HIS A 47 4.102 5.975 -3.468 1.00 0.00 H new ATOM 0 HA HIS A 47 2.147 6.066 -1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 47 2.995 8.543 -1.431 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.228 7.316 -1.219 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.693 8.799 -4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.264 7.825 -2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.676 9.354 -6.223 1.00 0.00 H new ATOM 484 N THR A 48 0.175 6.440 -3.032 1.00 0.00 N ATOM 485 CA THR A 48 -1.116 6.924 -3.614 1.00 0.00 C ATOM 486 C THR A 48 -1.894 5.727 -4.167 1.00 0.00 C ATOM 487 O THR A 48 -1.563 4.589 -3.899 1.00 0.00 O ATOM 488 CB THR A 48 -0.752 7.883 -4.757 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.885 8.061 -5.596 1.00 0.00 O ATOM 490 CG2 THR A 48 0.403 7.307 -5.583 1.00 0.00 C ATOM 0 H THR A 48 0.180 5.449 -2.789 1.00 0.00 H new ATOM 0 HA THR A 48 -1.732 7.425 -2.867 1.00 0.00 H new ATOM 0 HB THR A 48 -0.445 8.840 -4.336 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.658 8.674 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.652 7.996 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.274 7.168 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.106 6.347 -6.004 1.00 0.00 H new ATOM 498 N VAL A 49 -2.921 5.979 -4.933 1.00 0.00 N ATOM 499 CA VAL A 49 -3.727 4.862 -5.515 1.00 0.00 C ATOM 500 C VAL A 49 -2.813 3.695 -5.907 1.00 0.00 C ATOM 501 O VAL A 49 -3.205 2.545 -5.866 1.00 0.00 O ATOM 502 CB VAL A 49 -4.390 5.448 -6.766 1.00 0.00 C ATOM 503 CG1 VAL A 49 -5.093 6.763 -6.418 1.00 0.00 C ATOM 504 CG2 VAL A 49 -3.320 5.709 -7.829 1.00 0.00 C ATOM 0 H VAL A 49 -3.240 6.915 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.459 4.478 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.126 4.740 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.562 7.173 -7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.855 6.579 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.363 7.475 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.787 6.126 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.586 6.415 -7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.824 4.772 -8.084 1.00 0.00 H new ATOM 514 N GLU A 50 -1.597 3.985 -6.286 1.00 0.00 N ATOM 515 CA GLU A 50 -0.653 2.899 -6.681 1.00 0.00 C ATOM 516 C GLU A 50 -0.772 1.714 -5.718 1.00 0.00 C ATOM 517 O GLU A 50 -0.522 0.582 -6.077 1.00 0.00 O ATOM 518 CB GLU A 50 0.738 3.529 -6.583 1.00 0.00 C ATOM 519 CG GLU A 50 0.922 4.547 -7.710 1.00 0.00 C ATOM 520 CD GLU A 50 2.076 4.107 -8.613 1.00 0.00 C ATOM 521 OE1 GLU A 50 1.995 3.016 -9.153 1.00 0.00 O ATOM 522 OE2 GLU A 50 3.019 4.868 -8.750 1.00 0.00 O ATOM 0 H GLU A 50 -1.216 4.930 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.860 2.517 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.860 4.016 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.504 2.756 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.004 4.632 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.128 5.533 -7.294 1.00 0.00 H new ATOM 529 N ALA A 51 -1.148 1.967 -4.496 1.00 0.00 N ATOM 530 CA ALA A 51 -1.277 0.855 -3.510 1.00 0.00 C ATOM 531 C ALA A 51 -1.955 -0.356 -4.157 1.00 0.00 C ATOM 532 O ALA A 51 -1.680 -1.488 -3.815 1.00 0.00 O ATOM 533 CB ALA A 51 -2.148 1.422 -2.390 1.00 0.00 C ATOM 0 H ALA A 51 -1.372 2.895 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.309 0.515 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.292 0.663 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.658 2.293 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.116 1.715 -2.795 1.00 0.00 H new ATOM 539 N VAL A 52 -2.839 -0.130 -5.091 1.00 0.00 N ATOM 540 CA VAL A 52 -3.529 -1.273 -5.755 1.00 0.00 C ATOM 541 C VAL A 52 -3.534 -1.080 -7.273 1.00 0.00 C ATOM 542 O VAL A 52 -3.338 -2.013 -8.027 1.00 0.00 O ATOM 543 CB VAL A 52 -4.956 -1.251 -5.206 1.00 0.00 C ATOM 544 CG1 VAL A 52 -5.742 -2.431 -5.780 1.00 0.00 C ATOM 545 CG2 VAL A 52 -4.917 -1.361 -3.682 1.00 0.00 C ATOM 0 H VAL A 52 -3.113 0.795 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.033 -2.223 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.440 -0.317 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.759 -2.415 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.770 -2.355 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.257 -3.365 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.934 -1.345 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.432 -2.295 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.357 -0.521 -3.271 1.00 0.00 H new ATOM 555 N ALA A 53 -3.755 0.121 -7.729 1.00 0.00 N ATOM 556 CA ALA A 53 -3.770 0.368 -9.200 1.00 0.00 C ATOM 557 C ALA A 53 -2.347 0.288 -9.761 1.00 0.00 C ATOM 558 O ALA A 53 -1.398 0.056 -9.041 1.00 0.00 O ATOM 559 CB ALA A 53 -4.329 1.783 -9.357 1.00 0.00 C ATOM 0 H ALA A 53 -3.926 0.942 -7.149 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.367 -0.368 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.372 2.042 -10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.331 1.828 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.682 2.490 -8.837 1.00 0.00 H new ATOM 565 N TYR A 54 -2.193 0.488 -11.042 1.00 0.00 N ATOM 566 CA TYR A 54 -0.832 0.436 -11.654 1.00 0.00 C ATOM 567 C TYR A 54 -0.272 -0.992 -11.615 1.00 0.00 C ATOM 568 O TYR A 54 -0.282 -1.697 -12.603 1.00 0.00 O ATOM 569 CB TYR A 54 0.022 1.373 -10.798 1.00 0.00 C ATOM 570 CG TYR A 54 0.567 2.483 -11.663 1.00 0.00 C ATOM 571 CD1 TYR A 54 -0.284 3.495 -12.122 1.00 0.00 C ATOM 572 CD2 TYR A 54 1.924 2.500 -12.006 1.00 0.00 C ATOM 573 CE1 TYR A 54 0.221 4.524 -12.926 1.00 0.00 C ATOM 574 CE2 TYR A 54 2.429 3.529 -12.809 1.00 0.00 C ATOM 575 CZ TYR A 54 1.578 4.541 -13.269 1.00 0.00 C ATOM 576 OH TYR A 54 2.077 5.554 -14.062 1.00 0.00 O ATOM 0 H TYR A 54 -2.952 0.686 -11.694 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.844 0.735 -12.702 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.576 1.789 -9.987 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.841 0.819 -10.339 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.331 3.482 -11.856 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.581 1.720 -11.651 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.436 5.304 -13.281 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.476 3.542 -13.074 1.00 0.00 H new ATOM 0 HH TYR A 54 3.037 5.416 -14.204 1.00 0.00 H new ATOM 586 N ALA A 55 0.223 -1.420 -10.484 1.00 0.00 N ATOM 587 CA ALA A 55 0.787 -2.800 -10.392 1.00 0.00 C ATOM 588 C ALA A 55 0.134 -3.570 -9.241 1.00 0.00 C ATOM 589 O ALA A 55 -0.411 -2.979 -8.331 1.00 0.00 O ATOM 590 CB ALA A 55 2.279 -2.600 -10.118 1.00 0.00 C ATOM 0 H ALA A 55 0.262 -0.876 -9.622 1.00 0.00 H new ATOM 0 HA ALA A 55 0.608 -3.376 -11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.767 -3.571 -10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.727 -2.036 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.407 -2.050 -9.186 1.00 0.00 H new ATOM 596 N PRO A 56 0.220 -4.872 -9.319 1.00 0.00 N ATOM 597 CA PRO A 56 -0.364 -5.735 -8.266 1.00 0.00 C ATOM 598 C PRO A 56 0.475 -5.648 -6.990 1.00 0.00 C ATOM 599 O PRO A 56 1.689 -5.711 -7.025 1.00 0.00 O ATOM 600 CB PRO A 56 -0.306 -7.134 -8.874 1.00 0.00 C ATOM 601 CG PRO A 56 0.796 -7.074 -9.881 1.00 0.00 C ATOM 602 CD PRO A 56 0.864 -5.653 -10.382 1.00 0.00 C ATOM 0 HA PRO A 56 -1.377 -5.449 -7.982 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.104 -7.887 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.254 -7.400 -9.342 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.744 -7.370 -9.432 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.604 -7.763 -10.703 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.894 -5.335 -10.543 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.343 -5.539 -11.333 1.00 0.00 H new ATOM 610 N LYS A 57 -0.163 -5.495 -5.864 1.00 0.00 N ATOM 611 CA LYS A 57 0.592 -5.393 -4.584 1.00 0.00 C ATOM 612 C LYS A 57 1.561 -6.569 -4.431 1.00 0.00 C ATOM 613 O LYS A 57 2.546 -6.478 -3.732 1.00 0.00 O ATOM 614 CB LYS A 57 -0.478 -5.435 -3.493 1.00 0.00 C ATOM 615 CG LYS A 57 -1.119 -4.054 -3.354 1.00 0.00 C ATOM 616 CD LYS A 57 -2.536 -4.202 -2.795 1.00 0.00 C ATOM 617 CE LYS A 57 -3.439 -4.832 -3.856 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.518 -5.512 -3.085 1.00 0.00 N ATOM 0 H LYS A 57 -1.177 -5.436 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 57 1.195 -4.486 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.237 -6.177 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.034 -5.739 -2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.520 -3.428 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.149 -3.556 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.522 -4.823 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.926 -3.227 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.848 -4.076 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.888 -5.541 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.180 -5.970 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.099 -6.230 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.029 -4.811 -2.512 1.00 0.00 H new ATOM 632 N LYS A 58 1.288 -7.670 -5.074 1.00 0.00 N ATOM 633 CA LYS A 58 2.199 -8.850 -4.952 1.00 0.00 C ATOM 634 C LYS A 58 3.470 -8.645 -5.783 1.00 0.00 C ATOM 635 O LYS A 58 4.528 -9.142 -5.459 1.00 0.00 O ATOM 636 CB LYS A 58 1.382 -10.032 -5.489 1.00 0.00 C ATOM 637 CG LYS A 58 1.464 -10.077 -7.019 1.00 0.00 C ATOM 638 CD LYS A 58 0.653 -11.265 -7.544 1.00 0.00 C ATOM 639 CE LYS A 58 1.604 -12.322 -8.115 1.00 0.00 C ATOM 640 NZ LYS A 58 2.030 -13.136 -6.942 1.00 0.00 N ATOM 0 H LYS A 58 0.477 -7.807 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 58 2.528 -9.010 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.758 -10.965 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.342 -9.938 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.081 -9.148 -7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.503 -10.166 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.056 -11.695 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.042 -10.932 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.105 -12.939 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.460 -11.858 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.601 -13.942 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.596 -12.547 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.190 -13.488 -6.440 1.00 0.00 H new ATOM 654 N GLU A 59 3.371 -7.922 -6.856 1.00 0.00 N ATOM 655 CA GLU A 59 4.572 -7.694 -7.712 1.00 0.00 C ATOM 656 C GLU A 59 5.467 -6.637 -7.082 1.00 0.00 C ATOM 657 O GLU A 59 6.657 -6.827 -6.930 1.00 0.00 O ATOM 658 CB GLU A 59 4.026 -7.213 -9.055 1.00 0.00 C ATOM 659 CG GLU A 59 5.176 -6.701 -9.923 1.00 0.00 C ATOM 660 CD GLU A 59 5.376 -7.639 -11.114 1.00 0.00 C ATOM 661 OE1 GLU A 59 5.406 -8.840 -10.899 1.00 0.00 O ATOM 662 OE2 GLU A 59 5.494 -7.142 -12.222 1.00 0.00 O ATOM 0 H GLU A 59 2.513 -7.477 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 59 5.175 -8.595 -7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.510 -8.028 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.294 -6.420 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.959 -5.692 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.092 -6.644 -9.334 1.00 0.00 H new ATOM 669 N LEU A 60 4.910 -5.528 -6.700 1.00 0.00 N ATOM 670 CA LEU A 60 5.744 -4.479 -6.068 1.00 0.00 C ATOM 671 C LEU A 60 6.427 -5.074 -4.832 1.00 0.00 C ATOM 672 O LEU A 60 7.638 -5.089 -4.728 1.00 0.00 O ATOM 673 CB LEU A 60 4.755 -3.349 -5.719 1.00 0.00 C ATOM 674 CG LEU A 60 4.873 -2.918 -4.249 1.00 0.00 C ATOM 675 CD1 LEU A 60 6.303 -2.447 -3.943 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.897 -1.772 -3.995 1.00 0.00 C ATOM 0 H LEU A 60 3.920 -5.304 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 60 6.541 -4.097 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.941 -2.491 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.737 -3.683 -5.919 1.00 0.00 H new ATOM 0 HG LEU A 60 4.639 -3.765 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.371 -2.145 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.002 -3.261 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.552 -1.600 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.970 -1.456 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.142 -0.934 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.881 -2.107 -4.202 1.00 0.00 H new ATOM 688 N ILE A 61 5.661 -5.559 -3.894 1.00 0.00 N ATOM 689 CA ILE A 61 6.270 -6.148 -2.672 1.00 0.00 C ATOM 690 C ILE A 61 7.345 -7.130 -3.089 1.00 0.00 C ATOM 691 O ILE A 61 8.315 -7.346 -2.389 1.00 0.00 O ATOM 692 CB ILE A 61 5.129 -6.859 -1.973 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.525 -7.876 -2.945 1.00 0.00 C ATOM 694 CG2 ILE A 61 4.083 -5.820 -1.561 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.362 -9.162 -2.914 1.00 0.00 C ATOM 0 H ILE A 61 4.641 -5.572 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 61 6.734 -5.408 -2.020 1.00 0.00 H new ATOM 0 HB ILE A 61 5.479 -7.380 -1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.493 -8.093 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.505 -7.465 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.255 -6.318 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.537 -5.095 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.711 -5.306 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.936 -9.890 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.386 -8.937 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.359 -9.574 -1.905 1.00 0.00 H new ATOM 707 N ASN A 62 7.199 -7.704 -4.250 1.00 0.00 N ATOM 708 CA ASN A 62 8.235 -8.645 -4.733 1.00 0.00 C ATOM 709 C ASN A 62 9.596 -7.950 -4.683 1.00 0.00 C ATOM 710 O ASN A 62 10.626 -8.587 -4.783 1.00 0.00 O ATOM 711 CB ASN A 62 7.843 -8.972 -6.175 1.00 0.00 C ATOM 712 CG ASN A 62 8.408 -10.340 -6.561 1.00 0.00 C ATOM 713 OD1 ASN A 62 9.251 -10.440 -7.430 1.00 0.00 O ATOM 714 ND2 ASN A 62 7.977 -11.407 -5.944 1.00 0.00 N ATOM 0 H ASN A 62 6.409 -7.560 -4.880 1.00 0.00 H new ATOM 0 HA ASN A 62 8.303 -9.550 -4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.758 -8.973 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.225 -8.206 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.348 -12.324 -6.192 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.269 -11.323 -5.214 1.00 0.00 H new ATOM 721 N ILE A 63 9.621 -6.645 -4.513 1.00 0.00 N ATOM 722 CA ILE A 63 10.940 -5.953 -4.444 1.00 0.00 C ATOM 723 C ILE A 63 11.757 -6.563 -3.314 1.00 0.00 C ATOM 724 O ILE A 63 12.528 -7.481 -3.507 1.00 0.00 O ATOM 725 CB ILE A 63 10.615 -4.482 -4.169 1.00 0.00 C ATOM 726 CG1 ILE A 63 10.300 -3.789 -5.496 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.817 -3.794 -3.514 1.00 0.00 C ATOM 728 CD1 ILE A 63 9.172 -2.778 -5.294 1.00 0.00 C ATOM 0 H ILE A 63 8.801 -6.045 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 63 11.525 -6.053 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 63 9.758 -4.419 -3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.189 -3.285 -5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.010 -4.528 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.577 -2.748 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 63 12.053 -4.291 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.677 -3.853 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.950 -2.286 -6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.281 -3.294 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.479 -2.032 -4.561 1.00 0.00 H new ATOM 740 N LYS A 64 11.570 -6.070 -2.136 1.00 0.00 N ATOM 741 CA LYS A 64 12.308 -6.632 -0.975 1.00 0.00 C ATOM 742 C LYS A 64 11.980 -8.120 -0.859 1.00 0.00 C ATOM 743 O LYS A 64 12.758 -8.907 -0.358 1.00 0.00 O ATOM 744 CB LYS A 64 11.789 -5.869 0.244 1.00 0.00 C ATOM 745 CG LYS A 64 12.162 -6.632 1.516 1.00 0.00 C ATOM 746 CD LYS A 64 13.664 -6.918 1.516 1.00 0.00 C ATOM 747 CE LYS A 64 14.427 -5.628 1.824 1.00 0.00 C ATOM 748 NZ LYS A 64 15.381 -5.994 2.907 1.00 0.00 N ATOM 0 H LYS A 64 10.938 -5.300 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 64 13.389 -6.533 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.217 -4.867 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.707 -5.752 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.892 -6.048 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.603 -7.566 1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.900 -7.680 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.970 -7.312 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.953 -5.260 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.750 -4.836 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.941 -5.159 3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.852 -6.334 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.017 -6.745 2.570 1.00 0.00 H new ATOM 762 N GLY A 65 10.825 -8.507 -1.333 1.00 0.00 N ATOM 763 CA GLY A 65 10.425 -9.940 -1.271 1.00 0.00 C ATOM 764 C GLY A 65 9.248 -10.110 -0.310 1.00 0.00 C ATOM 765 O GLY A 65 9.089 -11.143 0.309 1.00 0.00 O ATOM 0 H GLY A 65 10.139 -7.887 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.149 -10.293 -2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.267 -10.548 -0.940 1.00 0.00 H new ATOM 769 N ILE A 66 8.422 -9.106 -0.170 1.00 0.00 N ATOM 770 CA ILE A 66 7.270 -9.227 0.761 1.00 0.00 C ATOM 771 C ILE A 66 6.021 -9.728 0.020 1.00 0.00 C ATOM 772 O ILE A 66 6.082 -10.622 -0.799 1.00 0.00 O ATOM 773 CB ILE A 66 7.014 -7.818 1.312 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.314 -7.010 1.448 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.376 -7.962 2.685 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.245 -5.767 0.553 1.00 0.00 C ATOM 0 H ILE A 66 8.497 -8.214 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 66 7.487 -9.941 1.556 1.00 0.00 H new ATOM 0 HB ILE A 66 6.364 -7.284 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.463 -6.715 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.168 -7.626 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.182 -6.974 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.437 -8.508 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.051 -8.508 3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.168 -5.196 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.117 -6.073 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.401 -5.147 0.856 1.00 0.00 H new ATOM 788 N SER A 67 4.891 -9.143 0.322 1.00 0.00 N ATOM 789 CA SER A 67 3.605 -9.533 -0.315 1.00 0.00 C ATOM 790 C SER A 67 2.508 -8.740 0.385 1.00 0.00 C ATOM 791 O SER A 67 2.668 -7.565 0.666 1.00 0.00 O ATOM 792 CB SER A 67 3.454 -11.029 -0.046 1.00 0.00 C ATOM 793 OG SER A 67 3.510 -11.261 1.356 1.00 0.00 O ATOM 0 H SER A 67 4.808 -8.389 1.004 1.00 0.00 H new ATOM 0 HA SER A 67 3.559 -9.335 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.507 -11.389 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.246 -11.583 -0.550 1.00 0.00 H new ATOM 0 HG SER A 67 3.412 -12.220 1.533 1.00 0.00 H new ATOM 799 N GLU A 68 1.417 -9.359 0.717 1.00 0.00 N ATOM 800 CA GLU A 68 0.364 -8.611 1.446 1.00 0.00 C ATOM 801 C GLU A 68 0.957 -8.105 2.765 1.00 0.00 C ATOM 802 O GLU A 68 0.412 -7.236 3.417 1.00 0.00 O ATOM 803 CB GLU A 68 -0.752 -9.626 1.702 1.00 0.00 C ATOM 804 CG GLU A 68 -1.554 -9.838 0.417 1.00 0.00 C ATOM 805 CD GLU A 68 -1.363 -11.275 -0.072 1.00 0.00 C ATOM 806 OE1 GLU A 68 -0.309 -11.833 0.187 1.00 0.00 O ATOM 807 OE2 GLU A 68 -2.274 -11.793 -0.696 1.00 0.00 O ATOM 0 H GLU A 68 1.209 -10.338 0.519 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.014 -7.750 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.328 -10.572 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.407 -9.270 2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.611 -9.642 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.226 -9.135 -0.349 1.00 0.00 H new ATOM 814 N ALA A 69 2.080 -8.658 3.161 1.00 0.00 N ATOM 815 CA ALA A 69 2.728 -8.235 4.437 1.00 0.00 C ATOM 816 C ALA A 69 2.675 -6.718 4.604 1.00 0.00 C ATOM 817 O ALA A 69 1.858 -6.191 5.333 1.00 0.00 O ATOM 818 CB ALA A 69 4.176 -8.708 4.324 1.00 0.00 C ATOM 0 H ALA A 69 2.576 -9.388 2.649 1.00 0.00 H new ATOM 0 HA ALA A 69 2.221 -8.658 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.720 -8.433 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.197 -9.791 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.646 -8.238 3.460 1.00 0.00 H new ATOM 824 N LYS A 70 3.535 -6.010 3.929 1.00 0.00 N ATOM 825 CA LYS A 70 3.527 -4.525 4.048 1.00 0.00 C ATOM 826 C LYS A 70 2.439 -3.960 3.138 1.00 0.00 C ATOM 827 O LYS A 70 1.713 -3.059 3.510 1.00 0.00 O ATOM 828 CB LYS A 70 4.918 -4.020 3.598 1.00 0.00 C ATOM 829 CG LYS A 70 5.960 -5.146 3.638 1.00 0.00 C ATOM 830 CD LYS A 70 7.354 -4.572 3.898 1.00 0.00 C ATOM 831 CE LYS A 70 8.081 -5.451 4.920 1.00 0.00 C ATOM 832 NZ LYS A 70 9.528 -5.159 4.725 1.00 0.00 N ATOM 0 H LYS A 70 4.242 -6.393 3.301 1.00 0.00 H new ATOM 0 HA LYS A 70 3.324 -4.207 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.852 -3.619 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.237 -3.203 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.702 -5.861 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.954 -5.690 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.922 -4.530 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.276 -3.551 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.765 -5.217 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.866 -6.507 4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.037 -5.313 5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.914 -5.790 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.645 -4.170 4.426 1.00 0.00 H new ATOM 846 N ALA A 71 2.321 -4.472 1.942 1.00 0.00 N ATOM 847 CA ALA A 71 1.277 -3.940 1.015 1.00 0.00 C ATOM 848 C ALA A 71 -0.104 -3.973 1.680 1.00 0.00 C ATOM 849 O ALA A 71 -0.711 -2.948 1.933 1.00 0.00 O ATOM 850 CB ALA A 71 1.306 -4.865 -0.200 1.00 0.00 C ATOM 0 H ALA A 71 2.895 -5.228 1.568 1.00 0.00 H new ATOM 0 HA ALA A 71 1.470 -2.903 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.563 -4.535 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.296 -4.837 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.080 -5.884 0.113 1.00 0.00 H new ATOM 856 N ASP A 72 -0.612 -5.140 1.957 1.00 0.00 N ATOM 857 CA ASP A 72 -1.955 -5.229 2.595 1.00 0.00 C ATOM 858 C ASP A 72 -1.986 -4.397 3.879 1.00 0.00 C ATOM 859 O ASP A 72 -2.915 -3.652 4.124 1.00 0.00 O ATOM 860 CB ASP A 72 -2.157 -6.711 2.905 1.00 0.00 C ATOM 861 CG ASP A 72 -3.558 -7.135 2.461 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.379 -6.258 2.243 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.787 -8.328 2.346 1.00 0.00 O ATOM 0 H ASP A 72 -0.158 -6.034 1.770 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.744 -4.843 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.404 -7.308 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.031 -6.891 3.973 1.00 0.00 H new ATOM 868 N LYS A 73 -0.979 -4.511 4.700 1.00 0.00 N ATOM 869 CA LYS A 73 -0.961 -3.719 5.962 1.00 0.00 C ATOM 870 C LYS A 73 -1.352 -2.268 5.673 1.00 0.00 C ATOM 871 O LYS A 73 -1.933 -1.592 6.502 1.00 0.00 O ATOM 872 CB LYS A 73 0.484 -3.799 6.461 1.00 0.00 C ATOM 873 CG LYS A 73 0.622 -3.002 7.760 1.00 0.00 C ATOM 874 CD LYS A 73 0.100 -3.838 8.930 1.00 0.00 C ATOM 875 CE LYS A 73 -0.611 -2.927 9.932 1.00 0.00 C ATOM 876 NZ LYS A 73 -2.055 -3.028 9.586 1.00 0.00 N ATOM 0 H LYS A 73 -0.171 -5.116 4.553 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.666 -4.099 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.765 -4.839 6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.163 -3.403 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.666 -2.736 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.063 -2.069 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.587 -4.602 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.926 -4.357 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.427 -3.248 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.257 -1.899 9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.572 -2.236 10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.168 -2.992 8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.436 -3.927 9.945 1.00 0.00 H new ATOM 890 N ILE A 74 -1.048 -1.785 4.501 1.00 0.00 N ATOM 891 CA ILE A 74 -1.410 -0.381 4.163 1.00 0.00 C ATOM 892 C ILE A 74 -2.917 -0.274 3.935 1.00 0.00 C ATOM 893 O ILE A 74 -3.590 0.539 4.535 1.00 0.00 O ATOM 894 CB ILE A 74 -0.649 -0.064 2.878 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.834 0.120 3.200 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.203 1.223 2.266 1.00 0.00 C ATOM 897 CD1 ILE A 74 1.574 0.596 1.950 1.00 0.00 C ATOM 0 H ILE A 74 -0.566 -2.300 3.764 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.154 0.315 4.962 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.768 -0.884 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.955 0.845 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.260 -0.820 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.661 1.452 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.261 1.092 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.082 2.044 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.631 0.727 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.464 -0.145 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.155 1.546 1.619 1.00 0.00 H new ATOM 909 N LEU A 75 -3.453 -1.092 3.073 1.00 0.00 N ATOM 910 CA LEU A 75 -4.921 -1.035 2.814 1.00 0.00 C ATOM 911 C LEU A 75 -5.691 -1.169 4.131 1.00 0.00 C ATOM 912 O LEU A 75 -6.851 -0.816 4.225 1.00 0.00 O ATOM 913 CB LEU A 75 -5.209 -2.223 1.897 1.00 0.00 C ATOM 914 CG LEU A 75 -5.104 -1.774 0.440 1.00 0.00 C ATOM 915 CD1 LEU A 75 -3.688 -2.038 -0.074 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.112 -2.554 -0.405 1.00 0.00 C ATOM 0 H LEU A 75 -2.942 -1.795 2.538 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.227 -0.092 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.501 -3.028 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.205 -2.618 2.097 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.320 -0.708 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.613 -1.718 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.972 -1.481 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.469 -3.104 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.039 -2.235 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.897 -3.620 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.120 -2.363 -0.037 1.00 0.00 H new ATOM 928 N ALA A 76 -5.052 -1.673 5.150 1.00 0.00 N ATOM 929 CA ALA A 76 -5.741 -1.824 6.462 1.00 0.00 C ATOM 930 C ALA A 76 -5.903 -0.457 7.127 1.00 0.00 C ATOM 931 O ALA A 76 -7.002 -0.008 7.389 1.00 0.00 O ATOM 932 CB ALA A 76 -4.819 -2.718 7.294 1.00 0.00 C ATOM 0 H ALA A 76 -4.082 -1.987 5.131 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.738 -2.252 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.258 -2.877 8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.694 -3.678 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.847 -2.237 7.404 1.00 0.00 H new ATOM 938 N GLU A 77 -4.813 0.210 7.400 1.00 0.00 N ATOM 939 CA GLU A 77 -4.904 1.551 8.048 1.00 0.00 C ATOM 940 C GLU A 77 -5.658 2.529 7.139 1.00 0.00 C ATOM 941 O GLU A 77 -6.487 3.298 7.587 1.00 0.00 O ATOM 942 CB GLU A 77 -3.454 2.001 8.230 1.00 0.00 C ATOM 943 CG GLU A 77 -2.859 1.330 9.469 1.00 0.00 C ATOM 944 CD GLU A 77 -2.990 2.271 10.669 1.00 0.00 C ATOM 945 OE1 GLU A 77 -4.061 2.310 11.252 1.00 0.00 O ATOM 946 OE2 GLU A 77 -2.017 2.936 10.985 1.00 0.00 O ATOM 0 H GLU A 77 -3.866 -0.115 7.203 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.443 1.516 8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.869 1.742 7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.410 3.085 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.375 0.391 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.811 1.087 9.296 1.00 0.00 H new ATOM 953 N ALA A 78 -5.373 2.507 5.866 1.00 0.00 N ATOM 954 CA ALA A 78 -6.065 3.438 4.927 1.00 0.00 C ATOM 955 C ALA A 78 -7.576 3.187 4.942 1.00 0.00 C ATOM 956 O ALA A 78 -8.365 4.099 5.092 1.00 0.00 O ATOM 957 CB ALA A 78 -5.482 3.114 3.552 1.00 0.00 C ATOM 0 H ALA A 78 -4.690 1.884 5.434 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.917 4.483 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.940 3.758 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.405 3.281 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.684 2.071 3.308 1.00 0.00 H new ATOM 963 N ALA A 79 -7.984 1.958 4.782 1.00 0.00 N ATOM 964 CA ALA A 79 -9.443 1.648 4.782 1.00 0.00 C ATOM 965 C ALA A 79 -10.081 2.091 6.099 1.00 0.00 C ATOM 966 O ALA A 79 -11.277 2.291 6.186 1.00 0.00 O ATOM 967 CB ALA A 79 -9.524 0.129 4.635 1.00 0.00 C ATOM 0 H ALA A 79 -7.370 1.154 4.651 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.973 2.166 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.569 -0.181 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.049 -0.172 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.012 -0.345 5.472 1.00 0.00 H new ATOM 973 N LYS A 80 -9.295 2.247 7.127 1.00 0.00 N ATOM 974 CA LYS A 80 -9.863 2.677 8.435 1.00 0.00 C ATOM 975 C LYS A 80 -9.279 4.031 8.849 1.00 0.00 C ATOM 976 O LYS A 80 -9.331 4.412 10.001 1.00 0.00 O ATOM 977 CB LYS A 80 -9.447 1.583 9.423 1.00 0.00 C ATOM 978 CG LYS A 80 -10.286 0.326 9.179 1.00 0.00 C ATOM 979 CD LYS A 80 -11.045 -0.040 10.458 1.00 0.00 C ATOM 980 CE LYS A 80 -12.368 0.733 10.502 1.00 0.00 C ATOM 981 NZ LYS A 80 -13.439 -0.305 10.574 1.00 0.00 N ATOM 0 H LYS A 80 -8.286 2.096 7.119 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.945 2.801 8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.388 1.355 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.585 1.932 10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.989 0.498 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.643 -0.500 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.236 -1.113 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.442 0.199 11.334 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.406 1.396 11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.487 1.357 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.370 0.158 10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.386 -0.917 9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.308 -0.880 11.431 1.00 0.00 H new ATOM 995 N LEU A 81 -8.719 4.763 7.920 1.00 0.00 N ATOM 996 CA LEU A 81 -8.132 6.090 8.277 1.00 0.00 C ATOM 997 C LEU A 81 -8.278 7.104 7.129 1.00 0.00 C ATOM 998 O LEU A 81 -8.298 8.299 7.351 1.00 0.00 O ATOM 999 CB LEU A 81 -6.657 5.804 8.546 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.091 6.887 9.466 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -5.907 6.316 10.874 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -4.738 7.361 8.926 1.00 0.00 C ATOM 0 H LEU A 81 -8.643 4.502 6.937 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.640 6.532 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.543 4.823 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.102 5.781 7.608 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.782 7.729 9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.504 7.088 11.530 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.870 5.980 11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.216 5.473 10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.335 8.133 9.582 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.046 6.519 8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.869 7.769 7.924 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.371 6.647 5.909 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.507 7.593 4.762 1.00 0.00 C ATOM 1016 C VAL A 82 -9.957 8.108 4.622 1.00 0.00 C ATOM 1017 O VAL A 82 -10.162 9.243 4.238 1.00 0.00 O ATOM 1018 CB VAL A 82 -8.048 6.780 3.533 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -9.196 6.568 2.534 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.910 7.529 2.835 1.00 0.00 C ATOM 0 H VAL A 82 -8.359 5.659 5.656 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.908 8.494 4.891 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.713 5.802 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.835 5.992 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.007 6.026 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.562 7.535 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.580 6.961 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.262 8.510 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.076 7.651 3.527 1.00 0.00 H new