USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 10 SER OG : rot 180:sc= -0.034 USER MOD Single : A 15 GLN : amide:sc= -0.0012 K(o=-0.0012,f=-1.8!) USER MOD Single : A 16 SER OG : rot 90:sc= -0.946 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.863 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00506) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0937 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.476 K(o=-0.48,f=-4.3!) USER MOD Single : A 50 TYR OH : rot 19:sc= -1.3 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -44:sc= 0.843 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 60 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.207 K(o=-0.21,f=-1!) USER MOD Single : A 65 SER OG : rot -53:sc= 0.296 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -0.594 F(o=-1.9,f=-0.59) USER MOD Single : A 69 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0291) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 12.349 -2.321 12.180 1.00 0.00 N ATOM 131 CA SER A 10 12.058 -3.746 12.291 1.00 0.00 C ATOM 132 C SER A 10 11.648 -4.323 10.938 1.00 0.00 C ATOM 133 O SER A 10 10.967 -3.662 10.154 1.00 0.00 O ATOM 134 CB SER A 10 10.949 -3.983 13.317 1.00 0.00 C ATOM 135 OG SER A 10 10.409 -5.288 13.193 1.00 0.00 O ATOM 0 HA SER A 10 12.964 -4.253 12.623 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.344 -3.844 14.323 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.159 -3.245 13.180 1.00 0.00 H new ATOM 0 HG SER A 10 9.703 -5.415 13.861 1.00 0.00 H new ATOM 141 N PRO A 11 12.060 -5.569 10.643 1.00 0.00 N ATOM 142 CA PRO A 11 11.731 -6.229 9.375 1.00 0.00 C ATOM 143 C PRO A 11 10.262 -6.620 9.282 1.00 0.00 C ATOM 144 O PRO A 11 9.730 -6.821 8.190 1.00 0.00 O ATOM 145 CB PRO A 11 12.618 -7.472 9.382 1.00 0.00 C ATOM 146 CG PRO A 11 12.833 -7.765 10.822 1.00 0.00 C ATOM 147 CD PRO A 11 12.877 -6.432 11.516 1.00 0.00 C ATOM 0 HA PRO A 11 11.899 -5.573 8.521 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.135 -8.307 8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.562 -7.289 8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.028 -8.384 11.218 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.762 -8.314 10.974 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.466 -6.489 12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.897 -6.060 11.609 1.00 0.00 H new ATOM 155 N ASP A 12 9.612 -6.726 10.433 1.00 0.00 N ATOM 156 CA ASP A 12 8.204 -7.093 10.484 1.00 0.00 C ATOM 157 C ASP A 12 7.324 -5.963 9.966 1.00 0.00 C ATOM 158 O ASP A 12 6.208 -6.193 9.502 1.00 0.00 O ATOM 159 CB ASP A 12 7.802 -7.460 11.911 1.00 0.00 C ATOM 160 CG ASP A 12 7.480 -8.934 12.062 1.00 0.00 C ATOM 161 OD1 ASP A 12 6.320 -9.318 11.806 1.00 0.00 O ATOM 162 OD2 ASP A 12 8.389 -9.704 12.437 1.00 0.00 O ATOM 0 H ASP A 12 10.038 -6.563 11.345 1.00 0.00 H new ATOM 0 HA ASP A 12 8.059 -7.961 9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.611 -7.196 12.592 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.934 -6.870 12.204 1.00 0.00 H new ATOM 167 N ILE A 13 7.837 -4.743 10.044 1.00 0.00 N ATOM 168 CA ILE A 13 7.104 -3.578 9.579 1.00 0.00 C ATOM 169 C ILE A 13 7.162 -3.482 8.068 1.00 0.00 C ATOM 170 O ILE A 13 6.147 -3.276 7.402 1.00 0.00 O ATOM 171 CB ILE A 13 7.644 -2.282 10.192 1.00 0.00 C ATOM 172 CG1 ILE A 13 7.882 -2.453 11.693 1.00 0.00 C ATOM 173 CG2 ILE A 13 6.686 -1.130 9.926 1.00 0.00 C ATOM 174 CD1 ILE A 13 6.633 -2.820 12.465 1.00 0.00 C ATOM 0 H ILE A 13 8.760 -4.536 10.426 1.00 0.00 H new ATOM 0 HA ILE A 13 6.069 -3.702 9.899 1.00 0.00 H new ATOM 0 HB ILE A 13 8.600 -2.050 9.722 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.635 -3.226 11.848 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.289 -1.526 12.096 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.084 -0.216 10.368 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.571 -0.993 8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.715 -1.354 10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.876 -2.925 13.522 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.885 -2.037 12.341 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.237 -3.763 12.089 1.00 0.00 H new ATOM 186 N GLU A 14 8.358 -3.653 7.535 1.00 0.00 N ATOM 187 CA GLU A 14 8.565 -3.611 6.098 1.00 0.00 C ATOM 188 C GLU A 14 7.907 -4.815 5.440 1.00 0.00 C ATOM 189 O GLU A 14 7.556 -4.780 4.261 1.00 0.00 O ATOM 190 CB GLU A 14 10.059 -3.579 5.771 1.00 0.00 C ATOM 191 CG GLU A 14 10.695 -2.211 5.960 1.00 0.00 C ATOM 192 CD GLU A 14 11.789 -1.932 4.949 1.00 0.00 C ATOM 193 OE1 GLU A 14 12.939 -2.358 5.186 1.00 0.00 O ATOM 194 OE2 GLU A 14 11.496 -1.288 3.920 1.00 0.00 O ATOM 0 H GLU A 14 9.205 -3.823 8.078 1.00 0.00 H new ATOM 0 HA GLU A 14 8.108 -2.702 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.576 -4.301 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.203 -3.898 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.926 -1.443 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.109 -2.143 6.966 1.00 0.00 H new ATOM 201 N GLN A 15 7.735 -5.879 6.218 1.00 0.00 N ATOM 202 CA GLN A 15 7.111 -7.091 5.726 1.00 0.00 C ATOM 203 C GLN A 15 5.610 -6.910 5.616 1.00 0.00 C ATOM 204 O GLN A 15 4.987 -7.325 4.639 1.00 0.00 O ATOM 205 CB GLN A 15 7.440 -8.254 6.637 1.00 0.00 C ATOM 206 CG GLN A 15 8.632 -9.051 6.156 1.00 0.00 C ATOM 207 CD GLN A 15 8.263 -10.087 5.112 1.00 0.00 C ATOM 208 OE1 GLN A 15 7.643 -9.769 4.097 1.00 0.00 O ATOM 209 NE2 GLN A 15 8.643 -11.336 5.358 1.00 0.00 N ATOM 0 H GLN A 15 8.022 -5.921 7.196 1.00 0.00 H new ATOM 0 HA GLN A 15 7.503 -7.305 4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.640 -7.879 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.573 -8.911 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.374 -8.370 5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.098 -9.549 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.155 -11.554 6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.422 -12.077 4.692 1.00 0.00 H new ATOM 218 N SER A 16 5.043 -6.268 6.623 1.00 0.00 N ATOM 219 CA SER A 16 3.615 -6.002 6.650 1.00 0.00 C ATOM 220 C SER A 16 3.239 -5.035 5.534 1.00 0.00 C ATOM 221 O SER A 16 2.087 -4.982 5.103 1.00 0.00 O ATOM 222 CB SER A 16 3.203 -5.425 8.005 1.00 0.00 C ATOM 223 OG SER A 16 3.756 -6.180 9.070 1.00 0.00 O ATOM 0 H SER A 16 5.552 -5.920 7.436 1.00 0.00 H new ATOM 0 HA SER A 16 3.085 -6.942 6.497 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.534 -4.389 8.079 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.116 -5.418 8.086 1.00 0.00 H new ATOM 0 HG SER A 16 4.632 -5.813 9.311 1.00 0.00 H new ATOM 229 N PHE A 17 4.225 -4.273 5.069 1.00 0.00 N ATOM 230 CA PHE A 17 4.010 -3.310 4.002 1.00 0.00 C ATOM 231 C PHE A 17 3.785 -4.014 2.676 1.00 0.00 C ATOM 232 O PHE A 17 2.907 -3.637 1.900 1.00 0.00 O ATOM 233 CB PHE A 17 5.197 -2.355 3.902 1.00 0.00 C ATOM 234 CG PHE A 17 4.880 -0.952 4.335 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.387 -0.700 5.605 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.078 0.115 3.473 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.098 0.589 6.008 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.790 1.407 3.870 1.00 0.00 C ATOM 239 CZ PHE A 17 4.299 1.644 5.140 1.00 0.00 C ATOM 0 H PHE A 17 5.183 -4.307 5.418 1.00 0.00 H new ATOM 0 HA PHE A 17 3.115 -2.734 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.014 -2.739 4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.552 -2.337 2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.227 -1.521 6.288 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.462 -0.065 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.715 0.772 7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.948 2.230 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.073 2.653 5.453 1.00 0.00 H new ATOM 249 N GLN A 18 4.575 -5.046 2.427 1.00 0.00 N ATOM 250 CA GLN A 18 4.449 -5.809 1.196 1.00 0.00 C ATOM 251 C GLN A 18 3.145 -6.588 1.192 1.00 0.00 C ATOM 252 O GLN A 18 2.559 -6.838 0.141 1.00 0.00 O ATOM 253 CB GLN A 18 5.627 -6.767 1.016 1.00 0.00 C ATOM 254 CG GLN A 18 5.406 -7.791 -0.089 1.00 0.00 C ATOM 255 CD GLN A 18 6.688 -8.478 -0.517 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.679 -8.480 0.213 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.675 -9.066 -1.707 1.00 0.00 N ATOM 0 H GLN A 18 5.307 -5.373 3.058 1.00 0.00 H new ATOM 0 HA GLN A 18 4.451 -5.105 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.525 -6.190 0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.808 -7.289 1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.694 -8.541 0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.958 -7.297 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.831 -9.040 -2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.509 -9.544 -2.049 1.00 0.00 H new ATOM 266 N GLU A 19 2.699 -6.970 2.378 1.00 0.00 N ATOM 267 CA GLU A 19 1.465 -7.720 2.515 1.00 0.00 C ATOM 268 C GLU A 19 0.273 -6.853 2.153 1.00 0.00 C ATOM 269 O GLU A 19 -0.720 -7.338 1.615 1.00 0.00 O ATOM 270 CB GLU A 19 1.321 -8.266 3.933 1.00 0.00 C ATOM 271 CG GLU A 19 1.254 -9.783 3.998 1.00 0.00 C ATOM 272 CD GLU A 19 0.019 -10.341 3.318 1.00 0.00 C ATOM 273 OE1 GLU A 19 -0.432 -9.740 2.320 1.00 0.00 O ATOM 274 OE2 GLU A 19 -0.497 -11.379 3.783 1.00 0.00 O ATOM 0 H GLU A 19 3.174 -6.772 3.258 1.00 0.00 H new ATOM 0 HA GLU A 19 1.498 -8.564 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.164 -7.922 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.419 -7.851 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.144 -10.203 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.264 -10.099 5.041 1.00 0.00 H new ATOM 281 N ALA A 20 0.385 -5.566 2.437 1.00 0.00 N ATOM 282 CA ALA A 20 -0.678 -4.630 2.125 1.00 0.00 C ATOM 283 C ALA A 20 -0.572 -4.173 0.680 1.00 0.00 C ATOM 284 O ALA A 20 -1.577 -3.878 0.032 1.00 0.00 O ATOM 285 CB ALA A 20 -0.643 -3.442 3.074 1.00 0.00 C ATOM 0 H ALA A 20 1.201 -5.147 2.883 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.635 -5.136 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.448 -2.752 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.770 -3.791 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.315 -2.931 2.981 1.00 0.00 H new ATOM 291 N LEU A 21 0.653 -4.134 0.180 1.00 0.00 N ATOM 292 CA LEU A 21 0.904 -3.735 -1.192 1.00 0.00 C ATOM 293 C LEU A 21 0.680 -4.911 -2.131 1.00 0.00 C ATOM 294 O LEU A 21 0.309 -4.734 -3.292 1.00 0.00 O ATOM 295 CB LEU A 21 2.324 -3.193 -1.341 1.00 0.00 C ATOM 296 CG LEU A 21 2.415 -1.721 -1.746 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.935 -1.530 -3.177 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.607 -0.855 -0.791 1.00 0.00 C ATOM 0 H LEU A 21 1.491 -4.375 0.708 1.00 0.00 H new ATOM 0 HA LEU A 21 0.206 -2.941 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.849 -3.327 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.849 -3.792 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 21 3.459 -1.413 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.007 -0.477 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.555 -2.121 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.898 -1.856 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.683 0.189 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.562 -1.165 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.996 -0.968 0.221 1.00 0.00 H new ATOM 310 N SER A 22 0.895 -6.116 -1.613 1.00 0.00 N ATOM 311 CA SER A 22 0.705 -7.325 -2.392 1.00 0.00 C ATOM 312 C SER A 22 -0.775 -7.657 -2.482 1.00 0.00 C ATOM 313 O SER A 22 -1.256 -8.159 -3.497 1.00 0.00 O ATOM 314 CB SER A 22 1.472 -8.493 -1.769 1.00 0.00 C ATOM 315 OG SER A 22 1.268 -9.688 -2.503 1.00 0.00 O ATOM 0 H SER A 22 1.202 -6.277 -0.654 1.00 0.00 H new ATOM 0 HA SER A 22 1.093 -7.156 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.536 -8.258 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.148 -8.636 -0.738 1.00 0.00 H new ATOM 0 HG SER A 22 1.770 -10.418 -2.085 1.00 0.00 H new ATOM 321 N ILE A 23 -1.490 -7.360 -1.406 1.00 0.00 N ATOM 322 CA ILE A 23 -2.922 -7.610 -1.346 1.00 0.00 C ATOM 323 C ILE A 23 -3.687 -6.523 -2.088 1.00 0.00 C ATOM 324 O ILE A 23 -4.701 -6.783 -2.736 1.00 0.00 O ATOM 325 CB ILE A 23 -3.414 -7.700 0.117 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.398 -8.860 0.278 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.047 -6.393 0.579 1.00 0.00 C ATOM 328 CD1 ILE A 23 -3.729 -10.180 0.593 1.00 0.00 C ATOM 0 H ILE A 23 -1.100 -6.944 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.111 -8.568 -1.830 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.545 -7.885 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.103 -8.620 1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.977 -8.965 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.380 -6.495 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.313 -5.590 0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.901 -6.158 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.487 -10.957 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.045 -10.443 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.173 -10.092 1.526 1.00 0.00 H new ATOM 340 N TYR A 24 -3.180 -5.305 -1.981 1.00 0.00 N ATOM 341 CA TYR A 24 -3.784 -4.153 -2.629 1.00 0.00 C ATOM 342 C TYR A 24 -2.845 -3.555 -3.675 1.00 0.00 C ATOM 343 O TYR A 24 -2.110 -2.609 -3.391 1.00 0.00 O ATOM 344 CB TYR A 24 -4.155 -3.091 -1.605 1.00 0.00 C ATOM 345 CG TYR A 24 -4.988 -3.608 -0.455 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.201 -4.245 -0.681 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.560 -3.457 0.858 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.965 -4.718 0.370 1.00 0.00 C ATOM 349 CE2 TYR A 24 -5.316 -3.927 1.914 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.518 -4.557 1.665 1.00 0.00 C ATOM 351 OH TYR A 24 -7.275 -5.027 2.713 1.00 0.00 O ATOM 0 H TYR A 24 -2.340 -5.088 -1.444 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.690 -4.495 -3.129 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.241 -2.649 -1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.703 -2.293 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.553 -4.373 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.620 -2.964 1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.907 -5.211 0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.968 -3.802 2.929 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.818 -4.835 3.559 1.00 0.00 H new ATOM 361 N PRO A 25 -2.858 -4.098 -4.905 1.00 0.00 N ATOM 362 CA PRO A 25 -2.014 -3.620 -5.990 1.00 0.00 C ATOM 363 C PRO A 25 -2.636 -2.436 -6.728 1.00 0.00 C ATOM 364 O PRO A 25 -3.775 -2.056 -6.459 1.00 0.00 O ATOM 365 CB PRO A 25 -1.897 -4.834 -6.922 1.00 0.00 C ATOM 366 CG PRO A 25 -2.894 -5.847 -6.443 1.00 0.00 C ATOM 367 CD PRO A 25 -3.695 -5.217 -5.336 1.00 0.00 C ATOM 0 HA PRO A 25 -1.053 -3.257 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.101 -4.550 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.887 -5.244 -6.898 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.547 -6.155 -7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.386 -6.743 -6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.669 -4.878 -5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.877 -5.919 -4.522 1.00 0.00 H new ATOM 375 N PRO A 26 -1.891 -1.836 -7.673 1.00 0.00 N ATOM 376 CA PRO A 26 -2.373 -0.689 -8.450 1.00 0.00 C ATOM 377 C PRO A 26 -3.507 -1.057 -9.403 1.00 0.00 C ATOM 378 O PRO A 26 -4.155 -0.181 -9.977 1.00 0.00 O ATOM 379 CB PRO A 26 -1.140 -0.244 -9.235 1.00 0.00 C ATOM 380 CG PRO A 26 -0.300 -1.465 -9.334 1.00 0.00 C ATOM 381 CD PRO A 26 -0.522 -2.223 -8.057 1.00 0.00 C ATOM 0 HA PRO A 26 -2.789 0.086 -7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.412 0.131 -10.221 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.612 0.560 -8.722 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.584 -2.065 -10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.752 -1.206 -9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.434 -3.299 -8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.204 -1.947 -7.293 1.00 0.00 H new ATOM 389 N CYS A 27 -3.744 -2.355 -9.570 1.00 0.00 N ATOM 390 CA CYS A 27 -4.796 -2.831 -10.450 1.00 0.00 C ATOM 391 C CYS A 27 -5.366 -4.157 -9.956 1.00 0.00 C ATOM 392 O CYS A 27 -4.870 -4.736 -8.989 1.00 0.00 O ATOM 393 CB CYS A 27 -4.266 -2.983 -11.873 1.00 0.00 C ATOM 394 SG CYS A 27 -5.171 -2.018 -13.106 1.00 0.00 S ATOM 0 H CYS A 27 -3.218 -3.094 -9.104 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.599 -2.094 -10.447 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.218 -2.685 -11.892 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.303 -4.036 -12.153 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.646 -2.211 -14.279 1.00 0.00 H new ATOM 400 N GLY A 28 -6.411 -4.632 -10.626 1.00 0.00 N ATOM 401 CA GLY A 28 -7.033 -5.886 -10.242 1.00 0.00 C ATOM 402 C GLY A 28 -8.502 -5.725 -9.907 1.00 0.00 C ATOM 403 O GLY A 28 -9.323 -6.570 -10.264 1.00 0.00 O ATOM 0 H GLY A 28 -6.839 -4.170 -11.429 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.925 -6.605 -11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.510 -6.298 -9.379 1.00 0.00 H new ATOM 407 N ARG A 29 -8.835 -4.636 -9.222 1.00 0.00 N ATOM 408 CA ARG A 29 -10.212 -4.364 -8.840 1.00 0.00 C ATOM 409 C ARG A 29 -10.411 -2.882 -8.537 1.00 0.00 C ATOM 410 O ARG A 29 -9.632 -2.280 -7.798 1.00 0.00 O ATOM 411 CB ARG A 29 -10.606 -5.205 -7.625 1.00 0.00 C ATOM 412 CG ARG A 29 -9.549 -5.227 -6.533 1.00 0.00 C ATOM 413 CD ARG A 29 -8.700 -6.486 -6.604 1.00 0.00 C ATOM 414 NE ARG A 29 -9.167 -7.515 -5.679 1.00 0.00 N ATOM 415 CZ ARG A 29 -8.578 -8.699 -5.527 1.00 0.00 C ATOM 416 NH1 ARG A 29 -7.499 -9.007 -6.237 1.00 0.00 N ATOM 417 NH2 ARG A 29 -9.068 -9.578 -4.663 1.00 0.00 N ATOM 0 H ARG A 29 -8.167 -3.927 -8.920 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.854 -4.633 -9.679 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.537 -4.817 -7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.803 -6.227 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.909 -4.350 -6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.031 -5.167 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.718 -6.878 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.663 -6.237 -6.376 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.994 -7.315 -5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.118 -8.335 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.052 -9.916 -6.117 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.896 -9.347 -4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.616 -10.485 -4.547 1.00 0.00 H new ATOM 431 N ARG A 30 -11.458 -2.300 -9.111 1.00 0.00 N ATOM 432 CA ARG A 30 -11.760 -0.895 -8.902 1.00 0.00 C ATOM 433 C ARG A 30 -13.264 -0.670 -8.782 1.00 0.00 C ATOM 434 O ARG A 30 -13.939 -0.377 -9.769 1.00 0.00 O ATOM 435 CB ARG A 30 -11.193 -0.051 -10.045 1.00 0.00 C ATOM 436 CG ARG A 30 -11.068 1.426 -9.708 1.00 0.00 C ATOM 437 CD ARG A 30 -9.824 2.037 -10.332 1.00 0.00 C ATOM 438 NE ARG A 30 -9.707 3.462 -10.036 1.00 0.00 N ATOM 439 CZ ARG A 30 -9.318 3.945 -8.858 1.00 0.00 C ATOM 440 NH1 ARG A 30 -9.008 3.121 -7.864 1.00 0.00 N ATOM 441 NH2 ARG A 30 -9.239 5.256 -8.672 1.00 0.00 N ATOM 0 H ARG A 30 -12.112 -2.784 -9.726 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.291 -0.586 -7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.211 -0.437 -10.318 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.834 -0.162 -10.920 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.952 1.957 -10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.033 1.552 -8.626 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.940 1.516 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.852 1.892 -11.412 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.937 4.126 -10.775 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.067 2.112 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.711 3.497 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.476 5.894 -9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.941 5.626 -7.769 1.00 0.00 H new ATOM 455 N LYS A 31 -13.782 -0.807 -7.566 1.00 0.00 N ATOM 456 CA LYS A 31 -15.200 -0.617 -7.313 1.00 0.00 C ATOM 457 C LYS A 31 -15.438 -0.113 -5.893 1.00 0.00 C ATOM 458 O LYS A 31 -14.677 -0.426 -4.978 1.00 0.00 O ATOM 459 CB LYS A 31 -15.963 -1.924 -7.541 1.00 0.00 C ATOM 460 CG LYS A 31 -15.970 -2.380 -8.990 1.00 0.00 C ATOM 461 CD LYS A 31 -16.653 -3.729 -9.147 1.00 0.00 C ATOM 462 CE LYS A 31 -15.649 -4.869 -9.110 1.00 0.00 C ATOM 463 NZ LYS A 31 -14.907 -4.998 -10.394 1.00 0.00 N ATOM 0 H LYS A 31 -13.236 -1.050 -6.739 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.569 0.134 -8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.519 -2.706 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.992 -1.798 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.482 -1.638 -9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.946 -2.445 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.386 -3.862 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.199 -3.754 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.942 -4.703 -8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.168 -5.803 -8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.282 -5.828 -10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.583 -5.114 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.337 -4.143 -10.553 1.00 0.00 H new ATOM 477 N ILE A 32 -16.498 0.669 -5.717 1.00 0.00 N ATOM 478 CA ILE A 32 -16.835 1.214 -4.413 1.00 0.00 C ATOM 479 C ILE A 32 -18.299 1.646 -4.356 1.00 0.00 C ATOM 480 O ILE A 32 -18.625 2.813 -4.572 1.00 0.00 O ATOM 481 CB ILE A 32 -15.929 2.410 -4.061 1.00 0.00 C ATOM 482 CG1 ILE A 32 -16.232 2.919 -2.650 1.00 0.00 C ATOM 483 CG2 ILE A 32 -16.094 3.526 -5.082 1.00 0.00 C ATOM 484 CD1 ILE A 32 -15.034 3.531 -1.959 1.00 0.00 C ATOM 0 H ILE A 32 -17.138 0.938 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 32 -16.674 0.422 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.892 2.074 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -17.029 3.661 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -16.606 2.092 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.446 4.361 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -15.823 3.157 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -17.131 3.860 -5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.322 3.870 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.243 2.786 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.672 4.379 -2.541 1.00 0.00 H new ATOM 496 N ILE A 33 -19.179 0.693 -4.065 1.00 0.00 N ATOM 497 CA ILE A 33 -20.599 0.960 -3.981 1.00 0.00 C ATOM 498 C ILE A 33 -20.951 1.688 -2.686 1.00 0.00 C ATOM 499 O ILE A 33 -21.452 1.082 -1.739 1.00 0.00 O ATOM 500 CB ILE A 33 -21.406 -0.346 -4.061 1.00 0.00 C ATOM 501 CG1 ILE A 33 -20.805 -1.412 -3.141 1.00 0.00 C ATOM 502 CG2 ILE A 33 -21.465 -0.848 -5.496 1.00 0.00 C ATOM 503 CD1 ILE A 33 -21.777 -2.511 -2.773 1.00 0.00 C ATOM 0 H ILE A 33 -18.924 -0.278 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 33 -20.857 1.598 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 33 -22.423 -0.142 -3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -19.937 -1.855 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -20.448 -0.934 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -22.040 -1.773 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -21.943 -0.097 -6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -20.454 -1.034 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -21.283 -3.230 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -22.634 -2.080 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -22.115 -3.016 -3.678 1.00 0.00 H new ATOM 515 N LEU A 34 -20.684 2.989 -2.652 1.00 0.00 N ATOM 516 CA LEU A 34 -20.972 3.796 -1.476 1.00 0.00 C ATOM 517 C LEU A 34 -22.467 4.069 -1.346 1.00 0.00 C ATOM 518 O LEU A 34 -22.970 4.321 -0.252 1.00 0.00 O ATOM 519 CB LEU A 34 -20.199 5.112 -1.532 1.00 0.00 C ATOM 520 CG LEU A 34 -19.195 5.323 -0.396 1.00 0.00 C ATOM 521 CD1 LEU A 34 -17.917 5.958 -0.922 1.00 0.00 C ATOM 522 CD2 LEU A 34 -19.805 6.180 0.703 1.00 0.00 C ATOM 0 H LEU A 34 -20.268 3.506 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.653 3.234 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.666 5.162 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.913 5.936 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.945 4.350 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -17.216 6.100 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.469 5.306 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.149 6.923 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.077 6.319 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.085 7.151 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.691 5.685 1.101 1.00 0.00 H new ATOM 534 N SER A 35 -23.171 4.018 -2.469 1.00 0.00 N ATOM 535 CA SER A 35 -24.609 4.259 -2.481 1.00 0.00 C ATOM 536 C SER A 35 -25.339 3.254 -1.595 1.00 0.00 C ATOM 537 O SER A 35 -26.454 3.508 -1.140 1.00 0.00 O ATOM 538 CB SER A 35 -25.148 4.187 -3.912 1.00 0.00 C ATOM 539 OG SER A 35 -24.210 3.579 -4.783 1.00 0.00 O ATOM 0 H SER A 35 -22.770 3.812 -3.384 1.00 0.00 H new ATOM 0 HA SER A 35 -24.788 5.258 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 35 -26.080 3.621 -3.924 1.00 0.00 H new ATOM 0 HB3 SER A 35 -25.380 5.191 -4.267 1.00 0.00 H new ATOM 0 HG SER A 35 -24.580 3.544 -5.690 1.00 0.00 H new ATOM 545 N ASP A 36 -24.704 2.112 -1.357 1.00 0.00 N ATOM 546 CA ASP A 36 -25.289 1.070 -0.532 1.00 0.00 C ATOM 547 C ASP A 36 -24.754 1.132 0.896 1.00 0.00 C ATOM 548 O ASP A 36 -25.498 1.411 1.836 1.00 0.00 O ATOM 549 CB ASP A 36 -25.005 -0.307 -1.136 1.00 0.00 C ATOM 550 CG ASP A 36 -26.168 -1.264 -0.965 1.00 0.00 C ATOM 551 OD1 ASP A 36 -27.130 -1.178 -1.757 1.00 0.00 O ATOM 552 OD2 ASP A 36 -26.118 -2.099 -0.038 1.00 0.00 O ATOM 0 H ASP A 36 -23.780 1.887 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 36 -26.366 1.233 -0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -24.782 -0.196 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -24.117 -0.731 -0.666 1.00 0.00 H new ATOM 557 N GLU A 37 -23.461 0.865 1.051 1.00 0.00 N ATOM 558 CA GLU A 37 -22.829 0.884 2.364 1.00 0.00 C ATOM 559 C GLU A 37 -22.794 2.292 2.941 1.00 0.00 C ATOM 560 O GLU A 37 -22.961 2.488 4.145 1.00 0.00 O ATOM 561 CB GLU A 37 -21.414 0.314 2.279 1.00 0.00 C ATOM 562 CG GLU A 37 -21.213 -0.937 3.113 1.00 0.00 C ATOM 563 CD GLU A 37 -20.158 -0.762 4.189 1.00 0.00 C ATOM 564 OE1 GLU A 37 -20.508 -0.294 5.293 1.00 0.00 O ATOM 565 OE2 GLU A 37 -18.983 -1.093 3.927 1.00 0.00 O ATOM 0 H GLU A 37 -22.831 0.633 0.283 1.00 0.00 H new ATOM 0 HA GLU A 37 -23.425 0.261 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -21.184 0.087 1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.704 1.075 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -22.159 -1.213 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.927 -1.761 2.460 1.00 0.00 H new ATOM 572 N GLY A 38 -22.576 3.267 2.074 1.00 0.00 N ATOM 573 CA GLY A 38 -22.520 4.651 2.508 1.00 0.00 C ATOM 574 C GLY A 38 -21.425 4.900 3.527 1.00 0.00 C ATOM 575 O GLY A 38 -21.438 5.913 4.227 1.00 0.00 O ATOM 0 H GLY A 38 -22.436 3.127 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.358 5.293 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.481 4.932 2.938 1.00 0.00 H new ATOM 579 N LYS A 39 -20.466 3.984 3.600 1.00 0.00 N ATOM 580 CA LYS A 39 -19.355 4.109 4.517 1.00 0.00 C ATOM 581 C LYS A 39 -18.099 3.518 3.896 1.00 0.00 C ATOM 582 O LYS A 39 -17.815 2.329 4.043 1.00 0.00 O ATOM 583 CB LYS A 39 -19.669 3.410 5.841 1.00 0.00 C ATOM 584 CG LYS A 39 -20.471 4.267 6.807 1.00 0.00 C ATOM 585 CD LYS A 39 -19.570 4.969 7.810 1.00 0.00 C ATOM 586 CE LYS A 39 -19.300 6.409 7.404 1.00 0.00 C ATOM 587 NZ LYS A 39 -20.389 7.324 7.844 1.00 0.00 N ATOM 0 H LYS A 39 -20.442 3.141 3.026 1.00 0.00 H new ATOM 0 HA LYS A 39 -19.187 5.167 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -20.222 2.494 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.734 3.117 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -21.043 5.008 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -21.190 3.643 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.036 4.949 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.626 4.430 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.354 6.737 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.193 6.467 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.167 8.296 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -21.287 7.027 7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -20.475 7.289 8.880 1.00 0.00 H new ATOM 601 N MET A 40 -17.351 4.363 3.208 1.00 0.00 N ATOM 602 CA MET A 40 -16.120 3.950 2.562 1.00 0.00 C ATOM 603 C MET A 40 -15.123 5.101 2.523 1.00 0.00 C ATOM 604 O MET A 40 -15.058 5.851 1.549 1.00 0.00 O ATOM 605 CB MET A 40 -16.403 3.443 1.146 1.00 0.00 C ATOM 606 CG MET A 40 -15.852 2.052 0.878 1.00 0.00 C ATOM 607 SD MET A 40 -16.697 0.775 1.830 1.00 0.00 S ATOM 608 CE MET A 40 -17.980 0.287 0.679 1.00 0.00 C ATOM 0 H MET A 40 -17.579 5.349 3.082 1.00 0.00 H new ATOM 0 HA MET A 40 -15.685 3.136 3.142 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.480 3.437 0.980 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.973 4.140 0.427 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.943 1.828 -0.185 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.789 2.034 1.117 1.00 0.00 H new ATOM 0 HE1 MET A 40 -18.589 -0.499 1.125 1.00 0.00 H new ATOM 0 HE2 MET A 40 -18.609 1.147 0.449 1.00 0.00 H new ATOM 0 HE3 MET A 40 -17.524 -0.084 -0.239 1.00 0.00 H new ATOM 618 N TYR A 41 -14.350 5.232 3.591 1.00 0.00 N ATOM 619 CA TYR A 41 -13.353 6.288 3.693 1.00 0.00 C ATOM 620 C TYR A 41 -12.204 6.048 2.718 1.00 0.00 C ATOM 621 O TYR A 41 -12.244 5.115 1.916 1.00 0.00 O ATOM 622 CB TYR A 41 -12.820 6.379 5.121 1.00 0.00 C ATOM 623 CG TYR A 41 -13.115 7.699 5.796 1.00 0.00 C ATOM 624 CD1 TYR A 41 -12.961 8.900 5.113 1.00 0.00 C ATOM 625 CD2 TYR A 41 -13.547 7.746 7.115 1.00 0.00 C ATOM 626 CE1 TYR A 41 -13.230 10.109 5.726 1.00 0.00 C ATOM 627 CE2 TYR A 41 -13.818 8.951 7.735 1.00 0.00 C ATOM 628 CZ TYR A 41 -13.657 10.129 7.037 1.00 0.00 C ATOM 629 OH TYR A 41 -13.926 11.331 7.651 1.00 0.00 O ATOM 0 H TYR A 41 -14.395 4.617 4.403 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.832 7.232 3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.253 5.573 5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.742 6.221 5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -12.626 8.888 4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.673 6.825 7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.106 11.033 5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.154 8.970 8.761 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.217 11.170 8.573 1.00 0.00 H new ATOM 639 N GLY A 42 -11.184 6.898 2.788 1.00 0.00 N ATOM 640 CA GLY A 42 -10.041 6.763 1.902 1.00 0.00 C ATOM 641 C GLY A 42 -9.446 5.368 1.926 1.00 0.00 C ATOM 642 O GLY A 42 -9.332 4.752 2.986 1.00 0.00 O ATOM 0 H GLY A 42 -11.128 7.678 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.344 7.007 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.276 7.485 2.189 1.00 0.00 H new ATOM 646 N ARG A 43 -9.071 4.868 0.753 1.00 0.00 N ATOM 647 CA ARG A 43 -8.490 3.535 0.638 1.00 0.00 C ATOM 648 C ARG A 43 -7.245 3.395 1.507 1.00 0.00 C ATOM 649 O ARG A 43 -6.894 2.296 1.935 1.00 0.00 O ATOM 650 CB ARG A 43 -8.151 3.229 -0.819 1.00 0.00 C ATOM 651 CG ARG A 43 -8.931 2.058 -1.392 1.00 0.00 C ATOM 652 CD ARG A 43 -8.099 1.268 -2.389 1.00 0.00 C ATOM 653 NE ARG A 43 -7.652 2.096 -3.507 1.00 0.00 N ATOM 654 CZ ARG A 43 -6.956 1.631 -4.542 1.00 0.00 C ATOM 655 NH1 ARG A 43 -6.627 0.347 -4.606 1.00 0.00 N ATOM 656 NH2 ARG A 43 -6.589 2.452 -5.516 1.00 0.00 N ATOM 0 H ARG A 43 -9.159 5.367 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.230 2.817 0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.347 4.115 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.085 3.018 -0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.251 1.402 -0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.834 2.425 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.232 0.844 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.686 0.432 -2.769 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.887 3.088 -3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.908 -0.289 -3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.094 -0.004 -5.402 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.840 3.440 -5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.056 2.096 -6.309 1.00 0.00 H new ATOM 670 N ASN A 44 -6.582 4.515 1.764 1.00 0.00 N ATOM 671 CA ASN A 44 -5.373 4.519 2.583 1.00 0.00 C ATOM 672 C ASN A 44 -5.628 3.874 3.939 1.00 0.00 C ATOM 673 O ASN A 44 -4.719 3.318 4.556 1.00 0.00 O ATOM 674 CB ASN A 44 -4.859 5.945 2.765 1.00 0.00 C ATOM 675 CG ASN A 44 -3.476 6.143 2.173 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.047 5.385 1.304 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.772 7.165 2.643 1.00 0.00 N ATOM 0 H ASN A 44 -6.860 5.433 1.418 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.613 3.933 2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.555 6.641 2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.834 6.186 3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.835 7.347 2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.168 7.768 3.364 1.00 0.00 H new ATOM 684 N GLU A 45 -6.871 3.946 4.392 1.00 0.00 N ATOM 685 CA GLU A 45 -7.253 3.364 5.669 1.00 0.00 C ATOM 686 C GLU A 45 -7.323 1.843 5.572 1.00 0.00 C ATOM 687 O GLU A 45 -7.241 1.141 6.580 1.00 0.00 O ATOM 688 CB GLU A 45 -8.601 3.923 6.127 1.00 0.00 C ATOM 689 CG GLU A 45 -8.494 5.257 6.847 1.00 0.00 C ATOM 690 CD GLU A 45 -9.831 5.961 6.971 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.697 5.464 7.722 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.013 7.011 6.318 1.00 0.00 O ATOM 0 H GLU A 45 -7.634 4.403 3.892 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.493 3.629 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.250 4.039 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.079 3.200 6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.078 5.097 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.797 5.901 6.310 1.00 0.00 H new ATOM 699 N LEU A 46 -7.479 1.342 4.351 1.00 0.00 N ATOM 700 CA LEU A 46 -7.565 -0.091 4.116 1.00 0.00 C ATOM 701 C LEU A 46 -6.192 -0.742 4.177 1.00 0.00 C ATOM 702 O LEU A 46 -6.051 -1.879 4.626 1.00 0.00 O ATOM 703 CB LEU A 46 -8.219 -0.370 2.764 1.00 0.00 C ATOM 704 CG LEU A 46 -9.465 -1.255 2.814 1.00 0.00 C ATOM 705 CD1 LEU A 46 -10.095 -1.364 1.434 1.00 0.00 C ATOM 706 CD2 LEU A 46 -9.115 -2.634 3.351 1.00 0.00 C ATOM 0 H LEU A 46 -7.548 1.911 3.507 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.181 -0.523 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.487 0.582 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.483 -0.842 2.113 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.189 -0.796 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.981 -1.997 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.379 -0.371 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.377 -1.801 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.013 -3.252 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.375 -3.100 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.706 -2.540 4.357 1.00 0.00 H new ATOM 718 N ILE A 47 -5.182 -0.012 3.730 1.00 0.00 N ATOM 719 CA ILE A 47 -3.819 -0.524 3.745 1.00 0.00 C ATOM 720 C ILE A 47 -3.228 -0.410 5.139 1.00 0.00 C ATOM 721 O ILE A 47 -2.425 -1.243 5.557 1.00 0.00 O ATOM 722 CB ILE A 47 -2.876 0.181 2.730 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.519 1.437 2.123 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.464 -0.789 1.632 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.565 1.146 1.065 1.00 0.00 C ATOM 0 H ILE A 47 -5.278 0.931 3.354 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.890 -1.569 3.443 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.989 0.502 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.978 2.020 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.737 2.057 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.804 -0.282 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.941 -1.638 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.351 -1.143 1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.971 2.084 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.109 0.591 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.369 0.553 1.501 1.00 0.00 H new ATOM 737 N ALA A 48 -3.645 0.619 5.859 1.00 0.00 N ATOM 738 CA ALA A 48 -3.174 0.837 7.213 1.00 0.00 C ATOM 739 C ALA A 48 -3.861 -0.119 8.175 1.00 0.00 C ATOM 740 O ALA A 48 -3.297 -0.497 9.202 1.00 0.00 O ATOM 741 CB ALA A 48 -3.400 2.281 7.634 1.00 0.00 C ATOM 0 H ALA A 48 -4.310 1.317 5.526 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.102 0.640 7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.040 2.424 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.858 2.945 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.465 2.510 7.590 1.00 0.00 H new ATOM 747 N ARG A 49 -5.077 -0.520 7.826 1.00 0.00 N ATOM 748 CA ARG A 49 -5.833 -1.447 8.649 1.00 0.00 C ATOM 749 C ARG A 49 -5.196 -2.827 8.598 1.00 0.00 C ATOM 750 O ARG A 49 -5.274 -3.598 9.555 1.00 0.00 O ATOM 751 CB ARG A 49 -7.289 -1.517 8.187 1.00 0.00 C ATOM 752 CG ARG A 49 -8.200 -0.528 8.895 1.00 0.00 C ATOM 753 CD ARG A 49 -9.658 -0.749 8.525 1.00 0.00 C ATOM 754 NE ARG A 49 -10.078 0.108 7.419 1.00 0.00 N ATOM 755 CZ ARG A 49 -11.350 0.367 7.123 1.00 0.00 C ATOM 756 NH1 ARG A 49 -12.328 -0.162 7.848 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.644 1.158 6.100 1.00 0.00 N ATOM 0 H ARG A 49 -5.558 -0.217 6.979 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.819 -1.088 9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.330 -1.332 7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.665 -2.527 8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.078 -0.628 9.974 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.907 0.489 8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.808 -1.793 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.286 -0.553 9.394 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.354 0.533 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.107 -0.770 8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.301 0.040 7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.896 1.568 5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.618 1.357 5.873 1.00 0.00 H new ATOM 771 N TYR A 50 -4.553 -3.123 7.476 1.00 0.00 N ATOM 772 CA TYR A 50 -3.885 -4.400 7.296 1.00 0.00 C ATOM 773 C TYR A 50 -2.676 -4.498 8.203 1.00 0.00 C ATOM 774 O TYR A 50 -2.535 -5.440 8.982 1.00 0.00 O ATOM 775 CB TYR A 50 -3.453 -4.575 5.852 1.00 0.00 C ATOM 776 CG TYR A 50 -3.197 -6.013 5.468 1.00 0.00 C ATOM 777 CD1 TYR A 50 -2.020 -6.647 5.843 1.00 0.00 C ATOM 778 CD2 TYR A 50 -4.129 -6.737 4.736 1.00 0.00 C ATOM 779 CE1 TYR A 50 -1.777 -7.962 5.499 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.894 -8.054 4.389 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.717 -8.662 4.772 1.00 0.00 C ATOM 782 OH TYR A 50 -2.479 -9.972 4.428 1.00 0.00 O ATOM 0 H TYR A 50 -4.481 -2.493 6.677 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.589 -5.191 7.555 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.223 -4.165 5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.547 -3.995 5.680 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.282 -6.102 6.413 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.051 -6.264 4.433 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.856 -8.440 5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.629 -8.605 3.820 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.779 -10.340 5.007 1.00 0.00 H new ATOM 792 N ILE A 51 -1.810 -3.509 8.092 1.00 0.00 N ATOM 793 CA ILE A 51 -0.602 -3.462 8.902 1.00 0.00 C ATOM 794 C ILE A 51 -0.952 -3.388 10.382 1.00 0.00 C ATOM 795 O ILE A 51 -0.195 -3.852 11.235 1.00 0.00 O ATOM 796 CB ILE A 51 0.318 -2.273 8.534 1.00 0.00 C ATOM 797 CG1 ILE A 51 -0.423 -1.223 7.700 1.00 0.00 C ATOM 798 CG2 ILE A 51 1.546 -2.772 7.785 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.319 0.090 7.582 1.00 0.00 C ATOM 0 H ILE A 51 -1.918 -2.725 7.449 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.056 -4.382 8.694 1.00 0.00 H new ATOM 0 HB ILE A 51 0.633 -1.796 9.462 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.599 -1.622 6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.400 -1.040 8.147 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.186 -1.927 7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.098 -3.469 8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.234 -3.278 6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.265 0.785 6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.472 0.512 8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.285 -0.080 7.107 1.00 0.00 H new ATOM 811 N LYS A 52 -2.109 -2.811 10.677 1.00 0.00 N ATOM 812 CA LYS A 52 -2.570 -2.685 12.050 1.00 0.00 C ATOM 813 C LYS A 52 -3.010 -4.038 12.596 1.00 0.00 C ATOM 814 O LYS A 52 -2.949 -4.286 13.801 1.00 0.00 O ATOM 815 CB LYS A 52 -3.724 -1.684 12.137 1.00 0.00 C ATOM 816 CG LYS A 52 -4.055 -1.260 13.558 1.00 0.00 C ATOM 817 CD LYS A 52 -3.261 -0.031 13.972 1.00 0.00 C ATOM 818 CE LYS A 52 -4.089 0.900 14.842 1.00 0.00 C ATOM 819 NZ LYS A 52 -4.665 2.028 14.058 1.00 0.00 N ATOM 0 H LYS A 52 -2.746 -2.422 9.981 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.740 -2.319 12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.472 -0.799 11.552 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.611 -2.124 11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.121 -1.049 13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.841 -2.081 14.243 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.368 -0.340 14.515 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.925 0.503 13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.895 0.336 15.312 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.467 1.296 15.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.222 2.640 14.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.896 2.582 13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.280 1.651 13.308 1.00 0.00 H new ATOM 833 N LEU A 53 -3.453 -4.910 11.698 1.00 0.00 N ATOM 834 CA LEU A 53 -3.905 -6.239 12.075 1.00 0.00 C ATOM 835 C LEU A 53 -2.739 -7.228 12.131 1.00 0.00 C ATOM 836 O LEU A 53 -2.857 -8.305 12.716 1.00 0.00 O ATOM 837 CB LEU A 53 -4.966 -6.735 11.089 1.00 0.00 C ATOM 838 CG LEU A 53 -6.363 -6.932 11.686 1.00 0.00 C ATOM 839 CD1 LEU A 53 -7.399 -6.147 10.897 1.00 0.00 C ATOM 840 CD2 LEU A 53 -6.725 -8.410 11.720 1.00 0.00 C ATOM 0 H LEU A 53 -3.508 -4.716 10.698 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.342 -6.175 13.072 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.036 -6.024 10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.632 -7.682 10.665 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.355 -6.556 12.709 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.384 -6.300 11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.150 -5.086 10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.406 -6.491 9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.721 -8.531 12.147 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.714 -8.811 10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.000 -8.948 12.331 1.00 0.00 H new ATOM 852 N ARG A 54 -1.619 -6.859 11.515 1.00 0.00 N ATOM 853 CA ARG A 54 -0.438 -7.717 11.490 1.00 0.00 C ATOM 854 C ARG A 54 -0.017 -8.126 12.893 1.00 0.00 C ATOM 855 O ARG A 54 0.044 -9.311 13.219 1.00 0.00 O ATOM 856 CB ARG A 54 0.719 -7.006 10.786 1.00 0.00 C ATOM 857 CG ARG A 54 1.724 -7.958 10.157 1.00 0.00 C ATOM 858 CD ARG A 54 1.597 -7.990 8.641 1.00 0.00 C ATOM 859 NE ARG A 54 1.000 -9.237 8.168 1.00 0.00 N ATOM 860 CZ ARG A 54 -0.309 -9.481 8.169 1.00 0.00 C ATOM 861 NH1 ARG A 54 -1.162 -8.567 8.616 1.00 0.00 N ATOM 862 NH2 ARG A 54 -0.767 -10.642 7.720 1.00 0.00 N ATOM 0 H ARG A 54 -1.505 -5.971 11.026 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.697 -8.620 10.937 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.316 -6.352 10.012 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.235 -6.369 11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.734 -7.654 10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.574 -8.961 10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.988 -7.148 8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.582 -7.867 8.192 1.00 0.00 H new ATOM 0 HE ARG A 54 1.623 -9.964 7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.816 -7.672 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.164 -8.760 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.117 -11.347 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.770 -10.829 7.721 1.00 0.00 H new ATOM 876 N THR A 55 0.276 -7.134 13.713 1.00 0.00 N ATOM 877 CA THR A 55 0.699 -7.370 15.085 1.00 0.00 C ATOM 878 C THR A 55 0.551 -6.109 15.931 1.00 0.00 C ATOM 879 O THR A 55 1.309 -5.892 16.876 1.00 0.00 O ATOM 880 CB THR A 55 2.150 -7.852 15.114 1.00 0.00 C ATOM 881 OG1 THR A 55 2.537 -8.200 16.432 1.00 0.00 O ATOM 882 CG2 THR A 55 3.134 -6.822 14.603 1.00 0.00 C ATOM 0 H THR A 55 0.229 -6.149 13.452 1.00 0.00 H new ATOM 0 HA THR A 55 0.056 -8.142 15.508 1.00 0.00 H new ATOM 0 HB THR A 55 2.179 -8.718 14.452 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.226 -7.512 17.057 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.144 -7.229 14.651 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.893 -6.570 13.570 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.074 -5.925 15.219 1.00 0.00 H new ATOM 890 N GLY A 56 -0.429 -5.282 15.585 1.00 0.00 N ATOM 891 CA GLY A 56 -0.657 -4.054 16.323 1.00 0.00 C ATOM 892 C GLY A 56 0.507 -3.084 16.228 1.00 0.00 C ATOM 893 O GLY A 56 0.581 -2.119 16.989 1.00 0.00 O ATOM 0 H GLY A 56 -1.069 -5.440 14.807 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.558 -3.571 15.945 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.839 -4.294 17.371 1.00 0.00 H new ATOM 897 N LYS A 57 1.418 -3.338 15.293 1.00 0.00 N ATOM 898 CA LYS A 57 2.578 -2.480 15.104 1.00 0.00 C ATOM 899 C LYS A 57 2.186 -1.188 14.394 1.00 0.00 C ATOM 900 O LYS A 57 1.002 -0.913 14.198 1.00 0.00 O ATOM 901 CB LYS A 57 3.656 -3.212 14.308 1.00 0.00 C ATOM 902 CG LYS A 57 4.953 -3.407 15.076 1.00 0.00 C ATOM 903 CD LYS A 57 4.726 -4.178 16.367 1.00 0.00 C ATOM 904 CE LYS A 57 5.595 -3.645 17.494 1.00 0.00 C ATOM 905 NZ LYS A 57 4.945 -2.512 18.209 1.00 0.00 N ATOM 0 H LYS A 57 1.373 -4.133 14.655 1.00 0.00 H new ATOM 0 HA LYS A 57 2.977 -2.226 16.086 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.273 -4.186 14.005 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.864 -2.653 13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.669 -3.942 14.453 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.392 -2.436 15.304 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.676 -4.111 16.653 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.945 -5.233 16.205 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.805 -4.448 18.201 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.553 -3.317 17.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.570 -2.177 18.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.767 -1.736 17.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.043 -2.831 18.617 1.00 0.00 H new ATOM 919 N THR A 58 3.185 -0.400 14.008 1.00 0.00 N ATOM 920 CA THR A 58 2.942 0.862 13.315 1.00 0.00 C ATOM 921 C THR A 58 1.945 0.672 12.174 1.00 0.00 C ATOM 922 O THR A 58 1.604 -0.456 11.818 1.00 0.00 O ATOM 923 CB THR A 58 4.254 1.435 12.775 1.00 0.00 C ATOM 924 OG1 THR A 58 4.060 2.744 12.272 1.00 0.00 O ATOM 925 CG2 THR A 58 4.863 0.603 11.666 1.00 0.00 C ATOM 0 H THR A 58 4.170 -0.613 14.163 1.00 0.00 H new ATOM 0 HA THR A 58 2.517 1.565 14.031 1.00 0.00 H new ATOM 0 HB THR A 58 4.938 1.434 13.624 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.910 3.094 11.933 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.790 1.067 11.330 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.073 -0.400 12.037 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.165 0.542 10.831 1.00 0.00 H new ATOM 933 N ARG A 59 1.489 1.778 11.596 1.00 0.00 N ATOM 934 CA ARG A 59 0.549 1.725 10.496 1.00 0.00 C ATOM 935 C ARG A 59 0.650 2.985 9.651 1.00 0.00 C ATOM 936 O ARG A 59 -0.279 3.792 9.595 1.00 0.00 O ATOM 937 CB ARG A 59 -0.879 1.552 11.019 1.00 0.00 C ATOM 938 CG ARG A 59 -1.289 2.611 12.028 1.00 0.00 C ATOM 939 CD ARG A 59 -0.846 2.242 13.435 1.00 0.00 C ATOM 940 NE ARG A 59 -1.459 3.101 14.445 1.00 0.00 N ATOM 941 CZ ARG A 59 -1.087 4.359 14.674 1.00 0.00 C ATOM 942 NH1 ARG A 59 -0.105 4.907 13.968 1.00 0.00 N ATOM 943 NH2 ARG A 59 -1.698 5.071 15.611 1.00 0.00 N ATOM 0 H ARG A 59 1.759 2.721 11.876 1.00 0.00 H new ATOM 0 HA ARG A 59 0.797 0.866 9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.571 1.577 10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.972 0.568 11.479 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.853 3.570 11.748 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.372 2.735 12.007 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.107 1.203 13.636 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.239 2.318 13.505 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.217 2.714 15.008 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.369 4.364 13.246 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.176 5.871 14.148 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.453 4.655 16.156 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.413 6.035 15.786 1.00 0.00 H new ATOM 957 N THR A 60 1.786 3.140 8.990 1.00 0.00 N ATOM 958 CA THR A 60 2.023 4.295 8.134 1.00 0.00 C ATOM 959 C THR A 60 1.021 4.321 6.985 1.00 0.00 C ATOM 960 O THR A 60 0.683 3.280 6.423 1.00 0.00 O ATOM 961 CB THR A 60 3.452 4.267 7.586 1.00 0.00 C ATOM 962 OG1 THR A 60 4.019 2.976 7.725 1.00 0.00 O ATOM 963 CG2 THR A 60 4.376 5.249 8.274 1.00 0.00 C ATOM 0 H THR A 60 2.562 2.479 9.029 1.00 0.00 H new ATOM 0 HA THR A 60 1.894 5.198 8.730 1.00 0.00 H new ATOM 0 HB THR A 60 3.363 4.548 6.537 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.636 2.376 7.051 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.372 5.178 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.994 6.261 8.143 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.428 5.016 9.338 1.00 0.00 H new ATOM 971 N ARG A 61 0.544 5.513 6.640 1.00 0.00 N ATOM 972 CA ARG A 61 -0.419 5.663 5.563 1.00 0.00 C ATOM 973 C ARG A 61 0.208 6.351 4.361 1.00 0.00 C ATOM 974 O ARG A 61 -0.065 5.998 3.213 1.00 0.00 O ATOM 975 CB ARG A 61 -1.641 6.449 6.041 1.00 0.00 C ATOM 976 CG ARG A 61 -1.313 7.856 6.514 1.00 0.00 C ATOM 977 CD ARG A 61 -2.528 8.537 7.123 1.00 0.00 C ATOM 978 NE ARG A 61 -2.377 9.989 7.168 1.00 0.00 N ATOM 979 CZ ARG A 61 -3.106 10.786 7.946 1.00 0.00 C ATOM 980 NH1 ARG A 61 -4.036 10.277 8.743 1.00 0.00 N ATOM 981 NH2 ARG A 61 -2.903 12.097 7.926 1.00 0.00 N ATOM 0 H ARG A 61 0.811 6.387 7.093 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.738 4.666 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.365 6.507 5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.118 5.903 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.510 7.815 7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.946 8.447 5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.415 8.283 6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.688 8.158 8.132 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.672 10.417 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.196 9.270 8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.591 10.893 9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.189 12.493 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.461 12.709 8.522 1.00 0.00 H new ATOM 995 N LYS A 62 1.049 7.333 4.636 1.00 0.00 N ATOM 996 CA LYS A 62 1.723 8.079 3.586 1.00 0.00 C ATOM 997 C LYS A 62 2.806 7.234 2.931 1.00 0.00 C ATOM 998 O LYS A 62 3.106 7.395 1.748 1.00 0.00 O ATOM 999 CB LYS A 62 2.322 9.366 4.148 1.00 0.00 C ATOM 1000 CG LYS A 62 1.817 10.624 3.461 1.00 0.00 C ATOM 1001 CD LYS A 62 0.693 11.276 4.249 1.00 0.00 C ATOM 1002 CE LYS A 62 0.790 12.793 4.206 1.00 0.00 C ATOM 1003 NZ LYS A 62 -0.554 13.435 4.182 1.00 0.00 N ATOM 0 H LYS A 62 1.283 7.634 5.582 1.00 0.00 H new ATOM 0 HA LYS A 62 0.986 8.339 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.095 9.428 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.407 9.322 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.639 11.331 3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.465 10.377 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.268 10.960 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.729 10.937 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.346 13.146 5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.353 13.096 3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.444 14.469 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.075 13.118 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.082 13.167 5.037 1.00 0.00 H new ATOM 1017 N GLN A 63 3.385 6.331 3.708 1.00 0.00 N ATOM 1018 CA GLN A 63 4.430 5.454 3.209 1.00 0.00 C ATOM 1019 C GLN A 63 3.834 4.314 2.396 1.00 0.00 C ATOM 1020 O GLN A 63 4.455 3.813 1.459 1.00 0.00 O ATOM 1021 CB GLN A 63 5.264 4.906 4.364 1.00 0.00 C ATOM 1022 CG GLN A 63 6.722 5.333 4.317 1.00 0.00 C ATOM 1023 CD GLN A 63 7.658 4.271 4.861 1.00 0.00 C ATOM 1024 OE1 GLN A 63 7.329 3.085 4.875 1.00 0.00 O ATOM 1025 NE2 GLN A 63 8.834 4.694 5.312 1.00 0.00 N ATOM 0 H GLN A 63 3.147 6.187 4.689 1.00 0.00 H new ATOM 0 HA GLN A 63 5.081 6.036 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.827 5.237 5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.212 3.817 4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.997 5.562 3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.847 6.251 4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.065 5.687 5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.506 4.026 5.689 1.00 0.00 H new ATOM 1034 N VAL A 64 2.624 3.914 2.760 1.00 0.00 N ATOM 1035 CA VAL A 64 1.936 2.840 2.065 1.00 0.00 C ATOM 1036 C VAL A 64 1.296 3.342 0.777 1.00 0.00 C ATOM 1037 O VAL A 64 1.010 2.561 -0.128 1.00 0.00 O ATOM 1038 CB VAL A 64 0.854 2.188 2.948 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.228 0.997 2.237 1.00 0.00 C ATOM 1040 CG2 VAL A 64 1.439 1.769 4.287 1.00 0.00 C ATOM 0 H VAL A 64 2.099 4.319 3.535 1.00 0.00 H new ATOM 0 HA VAL A 64 2.689 2.090 1.826 1.00 0.00 H new ATOM 0 HB VAL A 64 0.071 2.924 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.533 0.550 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.230 1.329 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.998 0.257 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.660 1.311 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.242 1.051 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.834 2.645 4.801 1.00 0.00 H new ATOM 1050 N SER A 65 1.088 4.651 0.693 1.00 0.00 N ATOM 1051 CA SER A 65 0.500 5.249 -0.491 1.00 0.00 C ATOM 1052 C SER A 65 1.585 5.529 -1.513 1.00 0.00 C ATOM 1053 O SER A 65 1.372 5.420 -2.721 1.00 0.00 O ATOM 1054 CB SER A 65 -0.239 6.540 -0.133 1.00 0.00 C ATOM 1055 OG SER A 65 0.653 7.640 -0.067 1.00 0.00 O ATOM 0 H SER A 65 1.319 5.315 1.432 1.00 0.00 H new ATOM 0 HA SER A 65 -0.222 4.552 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.011 6.738 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.743 6.419 0.826 1.00 0.00 H new ATOM 0 HG SER A 65 1.396 7.423 0.535 1.00 0.00 H new ATOM 1061 N SER A 66 2.755 5.874 -1.004 1.00 0.00 N ATOM 1062 CA SER A 66 3.905 6.158 -1.839 1.00 0.00 C ATOM 1063 C SER A 66 4.419 4.882 -2.486 1.00 0.00 C ATOM 1064 O SER A 66 4.924 4.895 -3.608 1.00 0.00 O ATOM 1065 CB SER A 66 5.002 6.800 -1.002 1.00 0.00 C ATOM 1066 OG SER A 66 5.548 7.935 -1.652 1.00 0.00 O ATOM 0 H SER A 66 2.932 5.964 -0.004 1.00 0.00 H new ATOM 0 HA SER A 66 3.606 6.849 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.599 7.092 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.791 6.072 -0.813 1.00 0.00 H new ATOM 0 HG SER A 66 6.249 8.328 -1.091 1.00 0.00 H new ATOM 1072 N HIS A 67 4.285 3.781 -1.760 1.00 0.00 N ATOM 1073 CA HIS A 67 4.734 2.484 -2.246 1.00 0.00 C ATOM 1074 C HIS A 67 3.866 2.000 -3.398 1.00 0.00 C ATOM 1075 O HIS A 67 4.355 1.372 -4.337 1.00 0.00 O ATOM 1076 CB HIS A 67 4.725 1.457 -1.113 1.00 0.00 C ATOM 1077 CG HIS A 67 5.598 0.270 -1.378 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.660 -0.565 -2.442 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.551 -0.178 -0.487 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.638 -1.491 -2.176 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.161 -1.235 -0.992 1.00 0.00 N flip ATOM 0 H HIS A 67 3.868 3.760 -0.830 1.00 0.00 H new ATOM 0 HA HIS A 67 5.754 2.598 -2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.052 1.940 -0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.702 1.117 -0.949 1.00 0.00 H new ATOM 0 HD1 HIS A 67 5.087 -0.515 -3.284 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.765 0.266 0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.932 -2.299 -2.830 1.00 0.00 H new ATOM 1090 N ILE A 68 2.579 2.299 -3.322 1.00 0.00 N ATOM 1091 CA ILE A 68 1.643 1.898 -4.363 1.00 0.00 C ATOM 1092 C ILE A 68 1.850 2.725 -5.622 1.00 0.00 C ATOM 1093 O ILE A 68 1.604 2.258 -6.735 1.00 0.00 O ATOM 1094 CB ILE A 68 0.179 2.032 -3.900 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.021 1.335 -2.554 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.766 1.452 -4.944 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.120 1.949 -1.714 1.00 0.00 C ATOM 0 H ILE A 68 2.158 2.818 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 68 1.841 0.848 -4.580 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.049 3.091 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.252 0.284 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.914 1.367 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.795 1.555 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.642 1.988 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.538 0.397 -5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.206 1.405 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.881 2.992 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.065 1.893 -2.254 1.00 0.00 H new ATOM 1109 N GLN A 69 2.311 3.953 -5.438 1.00 0.00 N ATOM 1110 CA GLN A 69 2.564 4.849 -6.554 1.00 0.00 C ATOM 1111 C GLN A 69 3.815 4.422 -7.310 1.00 0.00 C ATOM 1112 O GLN A 69 3.945 4.670 -8.509 1.00 0.00 O ATOM 1113 CB GLN A 69 2.709 6.290 -6.062 1.00 0.00 C ATOM 1114 CG GLN A 69 1.429 6.863 -5.476 1.00 0.00 C ATOM 1115 CD GLN A 69 1.145 8.271 -5.961 1.00 0.00 C ATOM 1116 OE1 GLN A 69 1.551 8.657 -7.057 1.00 0.00 O ATOM 1117 NE2 GLN A 69 0.444 9.048 -5.144 1.00 0.00 N ATOM 0 H GLN A 69 2.518 4.352 -4.522 1.00 0.00 H new ATOM 0 HA GLN A 69 1.713 4.797 -7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.494 6.330 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.032 6.918 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.592 6.216 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.501 6.865 -4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.127 8.687 -4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.222 10.006 -5.416 1.00 0.00 H new ATOM 1126 N VAL A 70 4.729 3.773 -6.601 1.00 0.00 N ATOM 1127 CA VAL A 70 5.967 3.302 -7.201 1.00 0.00 C ATOM 1128 C VAL A 70 5.711 2.118 -8.120 1.00 0.00 C ATOM 1129 O VAL A 70 6.431 1.907 -9.096 1.00 0.00 O ATOM 1130 CB VAL A 70 6.997 2.900 -6.139 1.00 0.00 C ATOM 1131 CG1 VAL A 70 8.364 2.690 -6.771 1.00 0.00 C ATOM 1132 CG2 VAL A 70 7.063 3.938 -5.027 1.00 0.00 C ATOM 0 H VAL A 70 4.635 3.561 -5.608 1.00 0.00 H new ATOM 0 HA VAL A 70 6.370 4.132 -7.781 1.00 0.00 H new ATOM 0 HB VAL A 70 6.680 1.956 -5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.081 2.405 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.302 1.899 -7.519 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.691 3.615 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.801 3.631 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.350 4.902 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.086 4.025 -4.552 1.00 0.00 H new ATOM 1142 N LEU A 71 4.676 1.351 -7.804 1.00 0.00 N ATOM 1143 CA LEU A 71 4.316 0.189 -8.602 1.00 0.00 C ATOM 1144 C LEU A 71 3.746 0.615 -9.948 1.00 0.00 C ATOM 1145 O LEU A 71 3.883 -0.092 -10.946 1.00 0.00 O ATOM 1146 CB LEU A 71 3.311 -0.683 -7.851 1.00 0.00 C ATOM 1147 CG LEU A 71 3.796 -2.098 -7.529 1.00 0.00 C ATOM 1148 CD1 LEU A 71 4.897 -2.059 -6.481 1.00 0.00 C ATOM 1149 CD2 LEU A 71 2.637 -2.961 -7.055 1.00 0.00 C ATOM 0 H LEU A 71 4.071 1.514 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 71 5.219 -0.395 -8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.046 -0.185 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.399 -0.754 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 71 4.204 -2.539 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.229 -3.074 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.737 -1.475 -6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.515 -1.600 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.999 -3.964 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.200 -2.523 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.880 -3.015 -7.837 1.00 0.00 H new ATOM 1161 N ALA A 72 3.113 1.780 -9.966 1.00 0.00 N ATOM 1162 CA ALA A 72 2.527 2.311 -11.186 1.00 0.00 C ATOM 1163 C ALA A 72 3.611 2.743 -12.165 1.00 0.00 C ATOM 1164 O ALA A 72 3.408 2.735 -13.379 1.00 0.00 O ATOM 1165 CB ALA A 72 1.600 3.475 -10.869 1.00 0.00 C ATOM 0 H ALA A 72 2.993 2.376 -9.147 1.00 0.00 H new ATOM 0 HA ALA A 72 1.942 1.520 -11.655 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.170 3.860 -11.794 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.800 3.135 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.165 4.265 -10.374 1.00 0.00 H new ATOM 1171 N ARG A 73 4.764 3.115 -11.624 1.00 0.00 N ATOM 1172 CA ARG A 73 5.887 3.547 -12.442 1.00 0.00 C ATOM 1173 C ARG A 73 6.489 2.370 -13.198 1.00 0.00 C ATOM 1174 O ARG A 73 7.053 2.534 -14.280 1.00 0.00 O ATOM 1175 CB ARG A 73 6.955 4.213 -11.572 1.00 0.00 C ATOM 1176 CG ARG A 73 6.511 5.536 -10.970 1.00 0.00 C ATOM 1177 CD ARG A 73 7.698 6.432 -10.657 1.00 0.00 C ATOM 1178 NE ARG A 73 8.380 6.028 -9.429 1.00 0.00 N ATOM 1179 CZ ARG A 73 9.383 6.709 -8.880 1.00 0.00 C ATOM 1180 NH1 ARG A 73 9.825 7.826 -9.446 1.00 0.00 N ATOM 1181 NH2 ARG A 73 9.946 6.273 -7.762 1.00 0.00 N ATOM 0 H ARG A 73 4.945 3.126 -10.620 1.00 0.00 H new ATOM 0 HA ARG A 73 5.519 4.273 -13.168 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.233 3.532 -10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.850 4.379 -12.172 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.842 6.046 -11.663 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.944 5.350 -10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.402 6.405 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.358 7.463 -10.561 1.00 0.00 H new ATOM 0 HE ARG A 73 8.069 5.174 -8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.395 8.166 -10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.594 8.344 -9.020 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.611 5.416 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.715 6.795 -7.341 1.00 0.00 H new ATOM 1195 N ARG A 74 6.362 1.183 -12.620 1.00 0.00 N ATOM 1196 CA ARG A 74 6.889 -0.027 -13.235 1.00 0.00 C ATOM 1197 C ARG A 74 6.078 -0.408 -14.466 1.00 0.00 C ATOM 1198 O ARG A 74 6.602 -0.991 -15.415 1.00 0.00 O ATOM 1199 CB ARG A 74 6.889 -1.180 -12.229 1.00 0.00 C ATOM 1200 CG ARG A 74 8.086 -2.108 -12.367 1.00 0.00 C ATOM 1201 CD ARG A 74 7.874 -3.129 -13.473 1.00 0.00 C ATOM 1202 NE ARG A 74 6.656 -3.910 -13.272 1.00 0.00 N ATOM 1203 CZ ARG A 74 6.195 -4.801 -14.146 1.00 0.00 C ATOM 1204 NH1 ARG A 74 6.846 -5.028 -15.281 1.00 0.00 N ATOM 1205 NH2 ARG A 74 5.080 -5.469 -13.885 1.00 0.00 N ATOM 0 H ARG A 74 5.898 1.033 -11.724 1.00 0.00 H new ATOM 0 HA ARG A 74 7.915 0.171 -13.546 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.872 -0.770 -11.219 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.974 -1.760 -12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.980 -1.521 -12.578 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.259 -2.624 -11.422 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.822 -2.617 -14.434 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.732 -3.800 -13.516 1.00 0.00 H new ATOM 0 HE ARG A 74 6.128 -3.764 -12.412 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.705 -4.518 -15.487 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.487 -5.712 -15.947 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.576 -5.300 -13.015 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.726 -6.152 -14.555 1.00 0.00 H new ATOM 1219 N LYS A 75 4.796 -0.073 -14.440 1.00 0.00 N ATOM 1220 CA LYS A 75 3.903 -0.374 -15.548 1.00 0.00 C ATOM 1221 C LYS A 75 4.082 0.627 -16.684 1.00 0.00 C ATOM 1222 O LYS A 75 3.820 0.318 -17.847 1.00 0.00 O ATOM 1223 CB LYS A 75 2.448 -0.374 -15.075 1.00 0.00 C ATOM 1224 CG LYS A 75 2.154 -1.419 -14.012 1.00 0.00 C ATOM 1225 CD LYS A 75 0.890 -1.084 -13.236 1.00 0.00 C ATOM 1226 CE LYS A 75 -0.307 -1.862 -13.757 1.00 0.00 C ATOM 1227 NZ LYS A 75 -0.917 -1.210 -14.949 1.00 0.00 N ATOM 0 H LYS A 75 4.350 0.409 -13.660 1.00 0.00 H new ATOM 0 HA LYS A 75 4.155 -1.366 -15.922 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.203 0.612 -14.681 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.796 -0.546 -15.932 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.046 -2.397 -14.482 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.997 -1.487 -13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.040 -1.309 -12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.690 -0.015 -13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.003 -2.874 -14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.055 -1.949 -12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.788 -1.713 -15.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.143 -0.220 -14.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.246 -1.241 -15.743 1.00 0.00 H new ATOM 1241 N SER A 76 4.528 1.827 -16.337 1.00 0.00 N ATOM 1242 CA SER A 76 4.743 2.880 -17.321 1.00 0.00 C ATOM 1243 C SER A 76 5.932 2.561 -18.225 1.00 0.00 C ATOM 1244 O SER A 76 6.095 3.167 -19.284 1.00 0.00 O ATOM 1245 CB SER A 76 4.967 4.221 -16.620 1.00 0.00 C ATOM 1246 OG SER A 76 3.745 4.761 -16.147 1.00 0.00 O ATOM 0 H SER A 76 4.749 2.096 -15.378 1.00 0.00 H new ATOM 0 HA SER A 76 3.850 2.943 -17.943 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.656 4.088 -15.786 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.435 4.922 -17.311 1.00 0.00 H new ATOM 0 HG SER A 76 3.916 5.617 -15.702 1.00 0.00 H new ATOM 1252 N ARG A 77 6.761 1.610 -17.803 1.00 0.00 N ATOM 1253 CA ARG A 77 7.930 1.220 -18.574 1.00 0.00 C ATOM 1254 C ARG A 77 7.606 0.089 -19.550 1.00 0.00 C ATOM 1255 O ARG A 77 8.504 -0.611 -20.018 1.00 0.00 O ATOM 1256 CB ARG A 77 9.063 0.791 -17.639 1.00 0.00 C ATOM 1257 CG ARG A 77 9.355 1.796 -16.537 1.00 0.00 C ATOM 1258 CD ARG A 77 10.837 1.844 -16.205 1.00 0.00 C ATOM 1259 NE ARG A 77 11.127 2.786 -15.126 1.00 0.00 N ATOM 1260 CZ ARG A 77 11.073 4.109 -15.262 1.00 0.00 C ATOM 1261 NH1 ARG A 77 10.741 4.650 -16.428 1.00 0.00 N ATOM 1262 NH2 ARG A 77 11.352 4.893 -14.230 1.00 0.00 N ATOM 0 H ARG A 77 6.642 1.097 -16.930 1.00 0.00 H new ATOM 0 HA ARG A 77 8.248 2.087 -19.154 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.807 -0.167 -17.187 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.968 0.635 -18.226 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.018 2.785 -16.847 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.789 1.532 -15.643 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.176 0.849 -15.918 1.00 0.00 H new ATOM 0 HD3 ARG A 77 11.399 2.128 -17.095 1.00 0.00 H new ATOM 0 HE ARG A 77 11.386 2.407 -14.215 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.526 4.051 -17.225 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.701 5.664 -16.527 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.608 4.482 -13.332 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.311 5.907 -14.334 1.00 0.00 H new ATOM 1276 N ASP A 78 6.323 -0.088 -19.854 1.00 0.00 N ATOM 1277 CA ASP A 78 5.894 -1.132 -20.769 1.00 0.00 C ATOM 1278 C ASP A 78 5.731 -0.592 -22.188 1.00 0.00 C ATOM 1279 O ASP A 78 4.967 -1.137 -22.984 1.00 0.00 O ATOM 1280 CB ASP A 78 4.583 -1.752 -20.289 1.00 0.00 C ATOM 1281 CG ASP A 78 4.727 -3.224 -19.955 1.00 0.00 C ATOM 1282 OD1 ASP A 78 4.817 -4.041 -20.896 1.00 0.00 O ATOM 1283 OD2 ASP A 78 4.749 -3.561 -18.752 1.00 0.00 O ATOM 0 H ASP A 78 5.565 0.481 -19.478 1.00 0.00 H new ATOM 0 HA ASP A 78 6.667 -1.901 -20.786 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.232 -1.215 -19.408 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.823 -1.630 -21.061 1.00 0.00 H new