USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 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 43 LYS NZ :NH3+ -169:sc= 0 (180deg=0) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.37) USER MOD Set 2.1: A 85 LYS NZ :NH3+ 163:sc= -0.764 (180deg=1.12) USER MOD Set 2.2: A 94 MET CE :methyl 142:sc= -1.58 (180deg=-0.487) USER MOD Single : A 15 THR OG1 : rot 36:sc= 0.0539 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.025) USER MOD Single : A 26 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -125:sc= -4.07 (180deg=-11.6!) USER MOD Single : A 33 SER OG : rot 160:sc= -1.41 USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= 0.48 (180deg=0.136) USER MOD Single : A 35 GLN : amide:sc= -0.0842 K(o=-0.084,f=-0.99) USER MOD Single : A 37 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.79) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0317) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0912 K(o=-0.091,f=-2.6!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.794 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 23:sc= 0.0882 USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 73 THR OG1 : rot -78:sc= 0.194 USER MOD Single : A 74 MET CE :methyl -138:sc= -2.52! (180deg=-5.39!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.255 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -101:sc= 0.866 USER MOD Single : A 93 SER OG : rot 40:sc= 0.893 USER MOD Single : A 95 CYS SG : rot 169:sc= -0.355 USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.719 6.927 11.009 1.00 0.00 N ATOM 169 CA THR A 15 -8.517 6.783 10.198 1.00 0.00 C ATOM 170 C THR A 15 -7.809 5.466 10.492 1.00 0.00 C ATOM 171 O THR A 15 -7.782 5.005 11.634 1.00 0.00 O ATOM 172 CB THR A 15 -7.535 7.945 10.438 1.00 0.00 C ATOM 173 OG1 THR A 15 -8.156 9.190 10.099 1.00 0.00 O ATOM 174 CG2 THR A 15 -6.269 7.764 9.614 1.00 0.00 C ATOM 0 HA THR A 15 -8.836 6.796 9.156 1.00 0.00 H new ATOM 0 HB THR A 15 -7.265 7.950 11.494 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.104 9.161 10.346 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.591 8.597 9.801 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.782 6.830 9.895 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.525 7.735 8.555 1.00 0.00 H new ATOM 182 N LYS A 16 -7.236 4.863 9.456 1.00 0.00 N ATOM 183 CA LYS A 16 -6.525 3.598 9.603 1.00 0.00 C ATOM 184 C LYS A 16 -5.025 3.791 9.409 1.00 0.00 C ATOM 185 O LYS A 16 -4.595 4.678 8.673 1.00 0.00 O ATOM 186 CB LYS A 16 -7.053 2.573 8.597 1.00 0.00 C ATOM 187 CG LYS A 16 -8.426 2.027 8.947 1.00 0.00 C ATOM 188 CD LYS A 16 -8.371 1.116 10.162 1.00 0.00 C ATOM 189 CE LYS A 16 -9.740 0.542 10.491 1.00 0.00 C ATOM 190 NZ LYS A 16 -9.641 -0.672 11.349 1.00 0.00 N ATOM 0 H LYS A 16 -7.250 5.230 8.504 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.698 3.228 10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.096 3.034 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.348 1.744 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.109 2.854 9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.827 1.476 8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.669 0.303 9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.994 1.674 11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.338 1.298 10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.261 0.292 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.595 -1.033 11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.092 -1.403 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.167 -0.428 12.242 1.00 0.00 H new ATOM 204 N GLU A 17 -4.234 2.954 10.074 1.00 0.00 N ATOM 205 CA GLU A 17 -2.782 3.034 9.973 1.00 0.00 C ATOM 206 C GLU A 17 -2.168 1.643 9.840 1.00 0.00 C ATOM 207 O GLU A 17 -2.565 0.708 10.537 1.00 0.00 O ATOM 208 CB GLU A 17 -2.201 3.745 11.197 1.00 0.00 C ATOM 209 CG GLU A 17 -2.620 5.201 11.310 1.00 0.00 C ATOM 210 CD GLU A 17 -2.298 5.797 12.667 1.00 0.00 C ATOM 211 OE1 GLU A 17 -1.225 5.472 13.217 1.00 0.00 O ATOM 212 OE2 GLU A 17 -3.118 6.588 13.178 1.00 0.00 O ATOM 0 H GLU A 17 -4.574 2.214 10.688 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.537 3.607 9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.513 3.215 12.097 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.113 3.691 11.156 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.119 5.781 10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.691 5.282 11.127 1.00 0.00 H new ATOM 219 N LEU A 18 -1.199 1.514 8.941 1.00 0.00 N ATOM 220 CA LEU A 18 -0.530 0.237 8.716 1.00 0.00 C ATOM 221 C LEU A 18 0.985 0.414 8.689 1.00 0.00 C ATOM 222 O LEU A 18 1.518 1.176 7.883 1.00 0.00 O ATOM 223 CB LEU A 18 -1.005 -0.386 7.403 1.00 0.00 C ATOM 224 CG LEU A 18 -0.992 -1.914 7.341 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.240 -2.486 7.994 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.876 -2.388 5.899 1.00 0.00 C ATOM 0 H LEU A 18 -0.859 2.277 8.356 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.785 -0.429 9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.021 -0.043 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.380 -0.004 6.596 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.123 -2.274 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.213 -3.574 7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.279 -2.175 9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.124 -2.119 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.868 -3.478 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.725 -2.018 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.049 -2.008 5.464 1.00 0.00 H new ATOM 238 N VAL A 19 1.675 -0.298 9.575 1.00 0.00 N ATOM 239 CA VAL A 19 3.129 -0.223 9.651 1.00 0.00 C ATOM 240 C VAL A 19 3.760 -1.600 9.479 1.00 0.00 C ATOM 241 O VAL A 19 3.508 -2.513 10.265 1.00 0.00 O ATOM 242 CB VAL A 19 3.591 0.377 10.993 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.109 0.392 11.076 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.024 1.777 11.173 1.00 0.00 C ATOM 0 H VAL A 19 1.250 -0.933 10.250 1.00 0.00 H new ATOM 0 HA VAL A 19 3.455 0.427 8.839 1.00 0.00 H new ATOM 0 HB VAL A 19 3.214 -0.249 11.801 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.417 0.819 12.030 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.488 -0.627 10.995 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.512 0.995 10.262 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.360 2.186 12.126 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.370 2.417 10.361 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.935 1.733 11.161 1.00 0.00 H new ATOM 254 N PHE A 20 4.583 -1.742 8.444 1.00 0.00 N ATOM 255 CA PHE A 20 5.250 -3.009 8.167 1.00 0.00 C ATOM 256 C PHE A 20 6.586 -2.777 7.467 1.00 0.00 C ATOM 257 O PHE A 20 6.719 -1.873 6.643 1.00 0.00 O ATOM 258 CB PHE A 20 4.358 -3.903 7.304 1.00 0.00 C ATOM 259 CG PHE A 20 3.945 -3.265 6.009 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.877 -3.021 5.013 1.00 0.00 C ATOM 261 CD2 PHE A 20 2.624 -2.909 5.787 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.500 -2.435 3.819 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.241 -2.323 4.595 1.00 0.00 C ATOM 264 CZ PHE A 20 3.181 -2.085 3.611 1.00 0.00 C ATOM 0 H PHE A 20 4.803 -0.996 7.784 1.00 0.00 H new ATOM 0 HA PHE A 20 5.438 -3.507 9.118 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.887 -4.832 7.090 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.465 -4.167 7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.910 -3.292 5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.886 -3.091 6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.236 -2.251 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.208 -2.052 4.433 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.884 -1.625 2.680 1.00 0.00 H new ATOM 274 N SER A 21 7.574 -3.601 7.802 1.00 0.00 N ATOM 275 CA SER A 21 8.901 -3.485 7.210 1.00 0.00 C ATOM 276 C SER A 21 8.914 -4.044 5.791 1.00 0.00 C ATOM 277 O SER A 21 8.113 -4.914 5.447 1.00 0.00 O ATOM 278 CB SER A 21 9.933 -4.219 8.069 1.00 0.00 C ATOM 279 OG SER A 21 10.248 -3.476 9.233 1.00 0.00 O ATOM 0 H SER A 21 7.480 -4.357 8.481 1.00 0.00 H new ATOM 0 HA SER A 21 9.161 -2.427 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.545 -5.198 8.352 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.839 -4.391 7.487 1.00 0.00 H new ATOM 0 HG SER A 21 10.908 -3.967 9.766 1.00 0.00 H new ATOM 285 N SER A 22 9.828 -3.537 4.970 1.00 0.00 N ATOM 286 CA SER A 22 9.943 -3.983 3.586 1.00 0.00 C ATOM 287 C SER A 22 10.300 -5.464 3.520 1.00 0.00 C ATOM 288 O SER A 22 9.948 -6.157 2.566 1.00 0.00 O ATOM 289 CB SER A 22 11.001 -3.158 2.849 1.00 0.00 C ATOM 290 OG SER A 22 11.096 -3.549 1.490 1.00 0.00 O ATOM 0 H SER A 22 10.499 -2.818 5.239 1.00 0.00 H new ATOM 0 HA SER A 22 8.977 -3.839 3.102 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.749 -2.099 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.968 -3.283 3.335 1.00 0.00 H new ATOM 0 HG SER A 22 11.777 -3.007 1.040 1.00 0.00 H new ATOM 296 N ASN A 23 11.002 -5.944 4.542 1.00 0.00 N ATOM 297 CA ASN A 23 11.407 -7.343 4.601 1.00 0.00 C ATOM 298 C ASN A 23 10.242 -8.263 4.249 1.00 0.00 C ATOM 299 O ASN A 23 10.442 -9.381 3.773 1.00 0.00 O ATOM 300 CB ASN A 23 11.938 -7.684 5.995 1.00 0.00 C ATOM 301 CG ASN A 23 12.064 -9.179 6.216 1.00 0.00 C ATOM 302 OD1 ASN A 23 12.906 -9.838 5.607 1.00 0.00 O ATOM 303 ND2 ASN A 23 11.226 -9.720 7.092 1.00 0.00 N ATOM 0 H ASN A 23 11.302 -5.384 5.340 1.00 0.00 H new ATOM 0 HA ASN A 23 12.201 -7.496 3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.912 -7.216 6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.271 -7.263 6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.264 -10.721 7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.544 -9.134 7.574 1.00 0.00 H new ATOM 310 N ILE A 24 9.025 -7.784 4.487 1.00 0.00 N ATOM 311 CA ILE A 24 7.828 -8.563 4.194 1.00 0.00 C ATOM 312 C ILE A 24 7.862 -9.108 2.770 1.00 0.00 C ATOM 313 O ILE A 24 7.955 -8.350 1.806 1.00 0.00 O ATOM 314 CB ILE A 24 6.551 -7.722 4.380 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.309 -8.578 4.120 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.572 -6.515 3.454 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.016 -7.794 4.165 1.00 0.00 C ATOM 0 H ILE A 24 8.842 -6.861 4.881 1.00 0.00 H new ATOM 0 HA ILE A 24 7.812 -9.395 4.898 1.00 0.00 H new ATOM 0 HB ILE A 24 6.515 -7.365 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.403 -9.053 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.266 -9.377 4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.663 -5.931 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.440 -5.897 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.628 -6.852 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.178 -8.463 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.899 -7.341 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.038 -7.012 3.406 1.00 0.00 H new ATOM 329 N GLY A 25 7.784 -10.430 2.646 1.00 0.00 N ATOM 330 CA GLY A 25 7.805 -11.054 1.337 1.00 0.00 C ATOM 331 C GLY A 25 6.511 -10.850 0.576 1.00 0.00 C ATOM 332 O GLY A 25 5.459 -10.632 1.176 1.00 0.00 O ATOM 0 H GLY A 25 7.707 -11.079 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.632 -10.645 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.992 -12.122 1.450 1.00 0.00 H new ATOM 336 N GLN A 26 6.588 -10.919 -0.749 1.00 0.00 N ATOM 337 CA GLN A 26 5.413 -10.737 -1.593 1.00 0.00 C ATOM 338 C GLN A 26 4.251 -11.592 -1.099 1.00 0.00 C ATOM 339 O GLN A 26 3.154 -11.087 -0.856 1.00 0.00 O ATOM 340 CB GLN A 26 5.741 -11.091 -3.045 1.00 0.00 C ATOM 341 CG GLN A 26 4.529 -11.084 -3.962 1.00 0.00 C ATOM 342 CD GLN A 26 4.903 -10.919 -5.422 1.00 0.00 C ATOM 343 OE1 GLN A 26 4.761 -11.846 -6.219 1.00 0.00 O ATOM 344 NE2 GLN A 26 5.383 -9.734 -5.780 1.00 0.00 N ATOM 0 H GLN A 26 7.451 -11.100 -1.261 1.00 0.00 H new ATOM 0 HA GLN A 26 5.118 -9.689 -1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.478 -10.383 -3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.202 -12.078 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.977 -12.015 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.861 -10.275 -3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.484 -8.994 -5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.651 -9.564 -6.749 1.00 0.00 H new ATOM 353 N HIS A 27 4.497 -12.890 -0.954 1.00 0.00 N ATOM 354 CA HIS A 27 3.471 -13.816 -0.488 1.00 0.00 C ATOM 355 C HIS A 27 2.643 -13.192 0.631 1.00 0.00 C ATOM 356 O HIS A 27 1.415 -13.280 0.632 1.00 0.00 O ATOM 357 CB HIS A 27 4.110 -15.117 -0.002 1.00 0.00 C ATOM 358 CG HIS A 27 4.603 -15.994 -1.111 1.00 0.00 C ATOM 359 ND1 HIS A 27 5.848 -15.852 -1.687 1.00 0.00 N ATOM 360 CD2 HIS A 27 4.011 -17.030 -1.750 1.00 0.00 C ATOM 361 CE1 HIS A 27 5.999 -16.761 -2.633 1.00 0.00 C ATOM 362 NE2 HIS A 27 4.899 -17.490 -2.691 1.00 0.00 N ATOM 0 H HIS A 27 5.398 -13.325 -1.153 1.00 0.00 H new ATOM 0 HA HIS A 27 2.809 -14.037 -1.325 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.943 -14.878 0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.382 -15.670 0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.024 -17.422 -1.556 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.874 -16.887 -3.254 1.00 0.00 H new ATOM 0 HE2 HIS A 27 4.736 -18.268 -3.330 1.00 0.00 H new ATOM 371 N ASP A 28 3.324 -12.563 1.583 1.00 0.00 N ATOM 372 CA ASP A 28 2.652 -11.924 2.708 1.00 0.00 C ATOM 373 C ASP A 28 2.052 -10.584 2.293 1.00 0.00 C ATOM 374 O ASP A 28 0.848 -10.364 2.424 1.00 0.00 O ATOM 375 CB ASP A 28 3.630 -11.722 3.866 1.00 0.00 C ATOM 376 CG ASP A 28 3.996 -13.025 4.549 1.00 0.00 C ATOM 377 OD1 ASP A 28 4.401 -13.972 3.842 1.00 0.00 O ATOM 378 OD2 ASP A 28 3.877 -13.100 5.790 1.00 0.00 O ATOM 0 H ASP A 28 4.341 -12.482 1.598 1.00 0.00 H new ATOM 0 HA ASP A 28 1.844 -12.578 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.536 -11.244 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.189 -11.044 4.596 1.00 0.00 H new ATOM 383 N LEU A 29 2.900 -9.691 1.794 1.00 0.00 N ATOM 384 CA LEU A 29 2.455 -8.371 1.361 1.00 0.00 C ATOM 385 C LEU A 29 1.123 -8.461 0.624 1.00 0.00 C ATOM 386 O LEU A 29 0.268 -7.585 0.756 1.00 0.00 O ATOM 387 CB LEU A 29 3.508 -7.727 0.458 1.00 0.00 C ATOM 388 CG LEU A 29 3.192 -6.317 -0.041 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.193 -5.328 1.114 1.00 0.00 C ATOM 390 CD2 LEU A 29 4.190 -5.893 -1.109 1.00 0.00 C ATOM 0 H LEU A 29 3.900 -9.857 1.679 1.00 0.00 H new ATOM 0 HA LEU A 29 2.318 -7.752 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.453 -7.696 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.659 -8.372 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 29 2.196 -6.325 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.966 -4.330 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.439 -5.621 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.175 -5.323 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.950 -4.887 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.197 -5.903 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.139 -6.585 -1.949 1.00 0.00 H new ATOM 402 N ASP A 30 0.952 -9.527 -0.151 1.00 0.00 N ATOM 403 CA ASP A 30 -0.278 -9.734 -0.907 1.00 0.00 C ATOM 404 C ASP A 30 -1.500 -9.398 -0.059 1.00 0.00 C ATOM 405 O ASP A 30 -2.380 -8.650 -0.486 1.00 0.00 O ATOM 406 CB ASP A 30 -0.363 -11.180 -1.397 1.00 0.00 C ATOM 407 CG ASP A 30 -1.603 -11.436 -2.231 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.646 -10.810 -1.950 1.00 0.00 O ATOM 409 OD2 ASP A 30 -1.531 -12.264 -3.164 1.00 0.00 O ATOM 0 H ASP A 30 1.650 -10.261 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.262 -9.067 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.523 -11.413 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.360 -11.852 -0.539 1.00 0.00 H new ATOM 414 N THR A 31 -1.550 -9.957 1.147 1.00 0.00 N ATOM 415 CA THR A 31 -2.665 -9.719 2.054 1.00 0.00 C ATOM 416 C THR A 31 -2.694 -8.269 2.522 1.00 0.00 C ATOM 417 O THR A 31 -3.718 -7.593 2.420 1.00 0.00 O ATOM 418 CB THR A 31 -2.593 -10.642 3.286 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.645 -12.013 2.874 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.737 -10.352 4.246 1.00 0.00 C ATOM 0 H THR A 31 -0.830 -10.578 1.517 1.00 0.00 H new ATOM 0 HA THR A 31 -3.577 -9.937 1.498 1.00 0.00 H new ATOM 0 HB THR A 31 -1.651 -10.453 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.597 -12.593 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.666 -11.015 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.678 -9.316 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.688 -10.517 3.739 1.00 0.00 H new ATOM 428 N LYS A 32 -1.563 -7.795 3.034 1.00 0.00 N ATOM 429 CA LYS A 32 -1.457 -6.422 3.516 1.00 0.00 C ATOM 430 C LYS A 32 -2.310 -5.482 2.670 1.00 0.00 C ATOM 431 O LYS A 32 -3.017 -4.624 3.201 1.00 0.00 O ATOM 432 CB LYS A 32 0.003 -5.963 3.493 1.00 0.00 C ATOM 433 CG LYS A 32 0.867 -6.632 4.548 1.00 0.00 C ATOM 434 CD LYS A 32 0.873 -5.842 5.846 1.00 0.00 C ATOM 435 CE LYS A 32 1.480 -6.647 6.986 1.00 0.00 C ATOM 436 NZ LYS A 32 2.950 -6.437 7.092 1.00 0.00 N ATOM 0 H LYS A 32 -0.707 -8.341 3.126 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.824 -6.394 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.424 -6.166 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.038 -4.883 3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.498 -7.640 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.887 -6.730 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.438 -4.920 5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.147 -5.556 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.004 -6.363 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.275 -7.706 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.436 -7.356 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.273 -5.841 6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.169 -5.967 7.993 1.00 0.00 H new ATOM 450 N SER A 33 -2.239 -5.649 1.354 1.00 0.00 N ATOM 451 CA SER A 33 -3.003 -4.813 0.435 1.00 0.00 C ATOM 452 C SER A 33 -4.500 -4.941 0.701 1.00 0.00 C ATOM 453 O SER A 33 -5.200 -3.943 0.875 1.00 0.00 O ATOM 454 CB SER A 33 -2.696 -5.197 -1.013 1.00 0.00 C ATOM 455 OG SER A 33 -1.354 -4.891 -1.348 1.00 0.00 O ATOM 0 H SER A 33 -1.660 -6.355 0.900 1.00 0.00 H new ATOM 0 HA SER A 33 -2.710 -3.776 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.876 -6.263 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.372 -4.667 -1.684 1.00 0.00 H new ATOM 0 HG SER A 33 -1.085 -5.415 -2.131 1.00 0.00 H new ATOM 461 N LYS A 34 -4.985 -6.178 0.731 1.00 0.00 N ATOM 462 CA LYS A 34 -6.398 -6.440 0.976 1.00 0.00 C ATOM 463 C LYS A 34 -6.922 -5.575 2.118 1.00 0.00 C ATOM 464 O LYS A 34 -7.880 -4.821 1.947 1.00 0.00 O ATOM 465 CB LYS A 34 -6.614 -7.920 1.303 1.00 0.00 C ATOM 466 CG LYS A 34 -6.859 -8.784 0.079 1.00 0.00 C ATOM 467 CD LYS A 34 -5.568 -9.065 -0.672 1.00 0.00 C ATOM 468 CE LYS A 34 -5.296 -8.005 -1.728 1.00 0.00 C ATOM 469 NZ LYS A 34 -4.486 -8.541 -2.857 1.00 0.00 N ATOM 0 H LYS A 34 -4.420 -7.015 0.589 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.951 -6.189 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.740 -8.297 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.464 -8.014 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.317 -9.725 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.566 -8.285 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.737 -9.101 0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.627 -10.045 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.242 -7.622 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.772 -7.165 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.908 -7.778 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.864 -9.299 -2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.119 -8.922 -3.589 1.00 0.00 H new ATOM 483 N GLN A 35 -6.287 -5.688 3.280 1.00 0.00 N ATOM 484 CA GLN A 35 -6.690 -4.914 4.448 1.00 0.00 C ATOM 485 C GLN A 35 -6.911 -3.450 4.082 1.00 0.00 C ATOM 486 O GLN A 35 -7.986 -2.897 4.318 1.00 0.00 O ATOM 487 CB GLN A 35 -5.632 -5.023 5.548 1.00 0.00 C ATOM 488 CG GLN A 35 -6.157 -4.681 6.933 1.00 0.00 C ATOM 489 CD GLN A 35 -6.765 -5.878 7.638 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.268 -6.999 7.524 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.846 -5.646 8.373 1.00 0.00 N ATOM 0 H GLN A 35 -5.492 -6.307 3.438 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.631 -5.323 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.235 -6.038 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.802 -4.359 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.343 -4.283 7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.906 -3.894 6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.224 -4.701 8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.298 -6.413 8.871 1.00 0.00 H new ATOM 500 N ILE A 36 -5.888 -2.829 3.505 1.00 0.00 N ATOM 501 CA ILE A 36 -5.972 -1.429 3.106 1.00 0.00 C ATOM 502 C ILE A 36 -7.150 -1.195 2.167 1.00 0.00 C ATOM 503 O ILE A 36 -7.904 -0.236 2.330 1.00 0.00 O ATOM 504 CB ILE A 36 -4.678 -0.963 2.414 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.503 -1.013 3.393 1.00 0.00 C ATOM 506 CG2 ILE A 36 -4.851 0.442 1.858 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.153 -1.069 2.715 1.00 0.00 C ATOM 0 H ILE A 36 -4.992 -3.272 3.303 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.116 -0.849 4.017 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.464 -1.637 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.540 -0.135 4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.614 -1.886 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.928 0.757 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.664 0.448 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.086 1.129 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.368 -1.102 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.096 -1.961 2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.021 -0.183 2.093 1.00 0.00 H new ATOM 519 N GLN A 37 -7.303 -2.079 1.186 1.00 0.00 N ATOM 520 CA GLN A 37 -8.391 -1.968 0.221 1.00 0.00 C ATOM 521 C GLN A 37 -9.737 -1.856 0.929 1.00 0.00 C ATOM 522 O GLN A 37 -10.446 -0.862 0.779 1.00 0.00 O ATOM 523 CB GLN A 37 -8.393 -3.177 -0.717 1.00 0.00 C ATOM 524 CG GLN A 37 -9.117 -2.926 -2.030 1.00 0.00 C ATOM 525 CD GLN A 37 -8.911 -4.044 -3.033 1.00 0.00 C ATOM 526 OE1 GLN A 37 -8.357 -5.093 -2.705 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.357 -3.824 -4.264 1.00 0.00 N ATOM 0 H GLN A 37 -6.688 -2.879 1.039 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.233 -1.062 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.363 -3.464 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.861 -4.020 -0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.183 -2.809 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.766 -1.988 -2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.810 -2.939 -4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.246 -4.540 -4.982 1.00 0.00 H new ATOM 536 N GLN A 38 -10.081 -2.882 1.701 1.00 0.00 N ATOM 537 CA GLN A 38 -11.343 -2.898 2.431 1.00 0.00 C ATOM 538 C GLN A 38 -11.603 -1.552 3.098 1.00 0.00 C ATOM 539 O GLN A 38 -12.739 -1.079 3.142 1.00 0.00 O ATOM 540 CB GLN A 38 -11.334 -4.009 3.483 1.00 0.00 C ATOM 541 CG GLN A 38 -11.358 -5.409 2.890 1.00 0.00 C ATOM 542 CD GLN A 38 -12.753 -5.853 2.497 1.00 0.00 C ATOM 543 OE1 GLN A 38 -13.497 -6.396 3.315 1.00 0.00 O ATOM 544 NE2 GLN A 38 -13.116 -5.624 1.241 1.00 0.00 N ATOM 0 H GLN A 38 -9.504 -3.712 1.837 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.144 -3.090 1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.445 -3.902 4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.197 -3.886 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.711 -5.439 2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.947 -6.113 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.467 -5.171 0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.044 -5.901 0.920 1.00 0.00 H new ATOM 553 N TRP A 39 -10.545 -0.940 3.617 1.00 0.00 N ATOM 554 CA TRP A 39 -10.659 0.352 4.283 1.00 0.00 C ATOM 555 C TRP A 39 -11.029 1.447 3.287 1.00 0.00 C ATOM 556 O TRP A 39 -11.999 2.179 3.489 1.00 0.00 O ATOM 557 CB TRP A 39 -9.346 0.706 4.984 1.00 0.00 C ATOM 558 CG TRP A 39 -9.110 -0.083 6.236 1.00 0.00 C ATOM 559 CD1 TRP A 39 -10.060 -0.624 7.055 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.843 -0.417 6.812 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.459 -1.275 8.105 1.00 0.00 N ATOM 562 CE2 TRP A 39 -8.100 -1.163 7.979 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.517 -0.161 6.455 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -7.078 -1.653 8.789 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.504 -0.647 7.260 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.789 -1.387 8.415 1.00 0.00 C ATOM 0 H TRP A 39 -9.598 -1.318 3.589 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.452 0.280 5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.518 0.538 4.295 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.347 1.768 5.227 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -11.126 -0.551 6.900 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.946 -1.763 8.857 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.287 0.407 5.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.295 -2.223 9.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.475 -0.453 6.994 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.975 -1.755 9.022 1.00 0.00 H new ATOM 577 N ILE A 40 -10.252 1.552 2.215 1.00 0.00 N ATOM 578 CA ILE A 40 -10.501 2.557 1.188 1.00 0.00 C ATOM 579 C ILE A 40 -11.950 2.514 0.716 1.00 0.00 C ATOM 580 O ILE A 40 -12.551 3.549 0.433 1.00 0.00 O ATOM 581 CB ILE A 40 -9.571 2.364 -0.025 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.108 2.502 0.400 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.909 3.369 -1.116 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.703 3.923 0.723 1.00 0.00 C ATOM 0 H ILE A 40 -9.445 0.954 2.034 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.298 3.528 1.640 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.721 1.361 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.932 1.875 1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.469 2.123 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.244 3.220 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.942 3.227 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.784 4.381 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.653 3.944 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.847 4.551 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.316 4.299 1.542 1.00 0.00 H new ATOM 596 N GLU A 41 -12.505 1.308 0.635 1.00 0.00 N ATOM 597 CA GLU A 41 -13.884 1.131 0.198 1.00 0.00 C ATOM 598 C GLU A 41 -14.824 2.047 0.977 1.00 0.00 C ATOM 599 O GLU A 41 -15.774 2.599 0.421 1.00 0.00 O ATOM 600 CB GLU A 41 -14.315 -0.327 0.374 1.00 0.00 C ATOM 601 CG GLU A 41 -13.615 -1.287 -0.573 1.00 0.00 C ATOM 602 CD GLU A 41 -14.349 -2.606 -0.716 1.00 0.00 C ATOM 603 OE1 GLU A 41 -14.603 -3.258 0.318 1.00 0.00 O ATOM 604 OE2 GLU A 41 -14.670 -2.985 -1.862 1.00 0.00 O ATOM 0 H GLU A 41 -12.021 0.441 0.866 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.940 1.395 -0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.117 -0.634 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.392 -0.400 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.521 -0.820 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.604 -1.476 -0.211 1.00 0.00 H new ATOM 611 N LYS A 42 -14.551 2.205 2.268 1.00 0.00 N ATOM 612 CA LYS A 42 -15.370 3.055 3.124 1.00 0.00 C ATOM 613 C LYS A 42 -14.759 4.446 3.255 1.00 0.00 C ATOM 614 O LYS A 42 -14.911 5.108 4.282 1.00 0.00 O ATOM 615 CB LYS A 42 -15.524 2.421 4.509 1.00 0.00 C ATOM 616 CG LYS A 42 -16.549 1.301 4.555 1.00 0.00 C ATOM 617 CD LYS A 42 -16.780 0.815 5.976 1.00 0.00 C ATOM 618 CE LYS A 42 -17.956 -0.146 6.052 1.00 0.00 C ATOM 619 NZ LYS A 42 -17.712 -1.386 5.264 1.00 0.00 N ATOM 0 H LYS A 42 -13.769 1.756 2.744 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.353 3.152 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.558 2.031 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.810 3.193 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.491 1.651 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.210 0.470 3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.881 0.321 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.964 1.669 6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.143 -0.409 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.854 0.349 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.507 -2.043 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.626 -1.145 4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.833 -1.836 5.589 1.00 0.00 H new ATOM 633 N LYS A 43 -14.067 4.884 2.209 1.00 0.00 N ATOM 634 CA LYS A 43 -13.434 6.198 2.205 1.00 0.00 C ATOM 635 C LYS A 43 -12.671 6.438 3.504 1.00 0.00 C ATOM 636 O LYS A 43 -12.822 7.481 4.140 1.00 0.00 O ATOM 637 CB LYS A 43 -14.486 7.293 2.009 1.00 0.00 C ATOM 638 CG LYS A 43 -15.339 7.102 0.767 1.00 0.00 C ATOM 639 CD LYS A 43 -14.526 7.294 -0.502 1.00 0.00 C ATOM 640 CE LYS A 43 -15.418 7.344 -1.733 1.00 0.00 C ATOM 641 NZ LYS A 43 -16.036 6.021 -2.024 1.00 0.00 N ATOM 0 H LYS A 43 -13.930 4.348 1.352 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.726 6.230 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.135 7.322 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.986 8.260 1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.774 6.103 0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.167 7.811 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.951 8.217 -0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.810 6.479 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.202 8.086 -1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.832 7.668 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.482 6.045 -2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.302 5.284 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.756 5.809 -1.305 1.00 0.00 H new ATOM 655 N TYR A 44 -11.851 5.467 3.890 1.00 0.00 N ATOM 656 CA TYR A 44 -11.064 5.573 5.114 1.00 0.00 C ATOM 657 C TYR A 44 -9.588 5.791 4.795 1.00 0.00 C ATOM 658 O TYR A 44 -8.918 4.904 4.266 1.00 0.00 O ATOM 659 CB TYR A 44 -11.234 4.313 5.964 1.00 0.00 C ATOM 660 CG TYR A 44 -12.591 4.203 6.620 1.00 0.00 C ATOM 661 CD1 TYR A 44 -13.176 5.301 7.240 1.00 0.00 C ATOM 662 CD2 TYR A 44 -13.290 3.002 6.622 1.00 0.00 C ATOM 663 CE1 TYR A 44 -14.416 5.205 7.842 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.531 2.898 7.219 1.00 0.00 C ATOM 665 CZ TYR A 44 -15.089 4.002 7.828 1.00 0.00 C ATOM 666 OH TYR A 44 -16.325 3.902 8.426 1.00 0.00 O ATOM 0 H TYR A 44 -11.714 4.598 3.374 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.426 6.434 5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.071 3.437 5.336 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.465 4.299 6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.652 6.245 7.251 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.855 2.134 6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.855 6.068 8.321 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -15.061 1.957 7.209 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.664 2.988 8.326 1.00 0.00 H new ATOM 676 N HIS A 45 -9.088 6.978 5.122 1.00 0.00 N ATOM 677 CA HIS A 45 -7.691 7.314 4.873 1.00 0.00 C ATOM 678 C HIS A 45 -6.762 6.296 5.529 1.00 0.00 C ATOM 679 O HIS A 45 -6.787 6.111 6.746 1.00 0.00 O ATOM 680 CB HIS A 45 -7.380 8.716 5.396 1.00 0.00 C ATOM 681 CG HIS A 45 -7.622 9.798 4.389 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.605 10.422 3.697 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.772 10.366 3.958 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.121 11.328 2.885 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.434 11.313 3.023 1.00 0.00 N ATOM 0 H HIS A 45 -9.629 7.723 5.560 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.524 7.291 3.796 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.990 8.909 6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.338 8.753 5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.770 10.120 4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.563 11.972 2.221 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.090 11.908 2.517 1.00 0.00 H new ATOM 694 N VAL A 46 -5.943 5.638 4.714 1.00 0.00 N ATOM 695 CA VAL A 46 -5.007 4.639 5.215 1.00 0.00 C ATOM 696 C VAL A 46 -3.572 5.150 5.150 1.00 0.00 C ATOM 697 O VAL A 46 -3.028 5.363 4.067 1.00 0.00 O ATOM 698 CB VAL A 46 -5.109 3.325 4.419 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.093 2.313 4.926 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.520 2.762 4.498 1.00 0.00 C ATOM 0 H VAL A 46 -5.909 5.779 3.704 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.275 4.447 6.254 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.885 3.536 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.180 1.391 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.088 2.718 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.282 2.104 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.574 1.833 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.776 2.566 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.223 3.483 4.082 1.00 0.00 H new ATOM 710 N GLN A 47 -2.965 5.344 6.316 1.00 0.00 N ATOM 711 CA GLN A 47 -1.592 5.831 6.391 1.00 0.00 C ATOM 712 C GLN A 47 -0.609 4.671 6.507 1.00 0.00 C ATOM 713 O GLN A 47 -0.580 3.967 7.517 1.00 0.00 O ATOM 714 CB GLN A 47 -1.428 6.776 7.583 1.00 0.00 C ATOM 715 CG GLN A 47 0.017 6.962 8.016 1.00 0.00 C ATOM 716 CD GLN A 47 0.140 7.698 9.336 1.00 0.00 C ATOM 717 OE1 GLN A 47 0.349 7.087 10.384 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.010 9.019 9.292 1.00 0.00 N ATOM 0 H GLN A 47 -3.402 5.172 7.222 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.376 6.376 5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.850 7.748 7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.004 6.390 8.424 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.495 5.986 8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.555 7.514 7.245 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.163 9.485 8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.083 9.567 10.149 1.00 0.00 H new ATOM 727 N VAL A 48 0.195 4.476 5.467 1.00 0.00 N ATOM 728 CA VAL A 48 1.181 3.402 5.453 1.00 0.00 C ATOM 729 C VAL A 48 2.585 3.941 5.701 1.00 0.00 C ATOM 730 O VAL A 48 2.940 5.021 5.228 1.00 0.00 O ATOM 731 CB VAL A 48 1.163 2.642 4.113 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.206 1.535 4.114 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.223 2.080 3.838 1.00 0.00 C ATOM 0 H VAL A 48 0.183 5.048 4.623 1.00 0.00 H new ATOM 0 HA VAL A 48 0.913 2.715 6.256 1.00 0.00 H new ATOM 0 HB VAL A 48 1.411 3.341 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.179 1.009 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.195 1.968 4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.992 0.834 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.217 1.546 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.503 1.394 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.944 2.896 3.791 1.00 0.00 H new ATOM 743 N THR A 49 3.382 3.181 6.446 1.00 0.00 N ATOM 744 CA THR A 49 4.748 3.581 6.758 1.00 0.00 C ATOM 745 C THR A 49 5.703 2.397 6.666 1.00 0.00 C ATOM 746 O THR A 49 5.677 1.500 7.508 1.00 0.00 O ATOM 747 CB THR A 49 4.845 4.196 8.166 1.00 0.00 C ATOM 748 OG1 THR A 49 4.016 5.361 8.251 1.00 0.00 O ATOM 749 CG2 THR A 49 6.283 4.566 8.498 1.00 0.00 C ATOM 0 H THR A 49 3.104 2.284 6.845 1.00 0.00 H new ATOM 0 HA THR A 49 5.033 4.332 6.021 1.00 0.00 H new ATOM 0 HB THR A 49 4.502 3.453 8.886 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.082 5.745 9.150 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.326 4.999 9.498 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.906 3.672 8.462 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.649 5.293 7.772 1.00 0.00 H new ATOM 757 N ILE A 50 6.546 2.401 5.638 1.00 0.00 N ATOM 758 CA ILE A 50 7.510 1.327 5.438 1.00 0.00 C ATOM 759 C ILE A 50 8.809 1.608 6.187 1.00 0.00 C ATOM 760 O ILE A 50 9.321 2.727 6.167 1.00 0.00 O ATOM 761 CB ILE A 50 7.826 1.124 3.944 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.559 0.730 3.182 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.906 0.067 3.770 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.718 0.782 1.679 1.00 0.00 C ATOM 0 H ILE A 50 6.580 3.136 4.932 1.00 0.00 H new ATOM 0 HA ILE A 50 7.055 0.418 5.831 1.00 0.00 H new ATOM 0 HB ILE A 50 8.196 2.064 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.268 -0.279 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.746 1.394 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.118 -0.065 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.813 0.385 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.562 -0.877 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.781 0.491 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.979 1.796 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.509 0.097 1.373 1.00 0.00 H new ATOM 776 N LYS A 51 9.339 0.583 6.846 1.00 0.00 N ATOM 777 CA LYS A 51 10.580 0.717 7.600 1.00 0.00 C ATOM 778 C LYS A 51 11.666 -0.186 7.024 1.00 0.00 C ATOM 779 O LYS A 51 11.573 -1.411 7.100 1.00 0.00 O ATOM 780 CB LYS A 51 10.346 0.375 9.073 1.00 0.00 C ATOM 781 CG LYS A 51 9.344 1.289 9.758 1.00 0.00 C ATOM 782 CD LYS A 51 8.982 0.781 11.143 1.00 0.00 C ATOM 783 CE LYS A 51 8.112 1.778 11.893 1.00 0.00 C ATOM 784 NZ LYS A 51 8.925 2.834 12.557 1.00 0.00 N ATOM 0 H LYS A 51 8.928 -0.350 6.873 1.00 0.00 H new ATOM 0 HA LYS A 51 10.913 1.752 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.996 -0.655 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.296 0.428 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.760 2.294 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.443 1.363 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.456 -0.170 11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.892 0.591 11.711 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.411 2.242 11.199 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.519 1.252 12.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.295 3.494 13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.577 2.394 13.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.472 3.353 11.841 1.00 0.00 H new ATOM 978 N THR A 63 12.156 0.427 -1.840 1.00 0.00 N ATOM 979 CA THR A 63 11.230 0.817 -0.784 1.00 0.00 C ATOM 980 C THR A 63 10.011 1.531 -1.357 1.00 0.00 C ATOM 981 O THR A 63 8.935 1.516 -0.761 1.00 0.00 O ATOM 982 CB THR A 63 11.911 1.736 0.249 1.00 0.00 C ATOM 983 OG1 THR A 63 13.066 1.089 0.794 1.00 0.00 O ATOM 984 CG2 THR A 63 10.948 2.096 1.370 1.00 0.00 C ATOM 0 HA THR A 63 10.911 -0.100 -0.289 1.00 0.00 H new ATOM 0 HB THR A 63 12.214 2.653 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.384 0.406 0.168 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.451 2.745 2.087 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.084 2.615 0.955 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.618 1.187 1.873 1.00 0.00 H new ATOM 992 N GLU A 64 10.188 2.155 -2.517 1.00 0.00 N ATOM 993 CA GLU A 64 9.101 2.875 -3.170 1.00 0.00 C ATOM 994 C GLU A 64 8.172 1.910 -3.903 1.00 0.00 C ATOM 995 O GLU A 64 6.950 2.017 -3.808 1.00 0.00 O ATOM 996 CB GLU A 64 9.660 3.906 -4.152 1.00 0.00 C ATOM 997 CG GLU A 64 9.931 5.262 -3.522 1.00 0.00 C ATOM 998 CD GLU A 64 11.279 5.324 -2.830 1.00 0.00 C ATOM 999 OE1 GLU A 64 12.175 4.538 -3.203 1.00 0.00 O ATOM 1000 OE2 GLU A 64 11.438 6.159 -1.915 1.00 0.00 O ATOM 0 H GLU A 64 11.073 2.177 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 64 8.527 3.391 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.586 3.522 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.956 4.031 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.886 6.032 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.146 5.487 -2.801 1.00 0.00 H new ATOM 1007 N GLU A 65 8.763 0.969 -4.633 1.00 0.00 N ATOM 1008 CA GLU A 65 7.989 -0.014 -5.382 1.00 0.00 C ATOM 1009 C GLU A 65 6.865 -0.590 -4.525 1.00 0.00 C ATOM 1010 O GLU A 65 5.726 -0.711 -4.976 1.00 0.00 O ATOM 1011 CB GLU A 65 8.897 -1.141 -5.878 1.00 0.00 C ATOM 1012 CG GLU A 65 9.618 -0.816 -7.175 1.00 0.00 C ATOM 1013 CD GLU A 65 8.769 -1.095 -8.400 1.00 0.00 C ATOM 1014 OE1 GLU A 65 7.642 -0.562 -8.474 1.00 0.00 O ATOM 1015 OE2 GLU A 65 9.231 -1.846 -9.284 1.00 0.00 O ATOM 0 H GLU A 65 9.774 0.867 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 65 7.545 0.489 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.635 -1.366 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.300 -2.042 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.909 0.234 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.536 -1.401 -7.233 1.00 0.00 H new ATOM 1022 N ILE A 66 7.196 -0.944 -3.288 1.00 0.00 N ATOM 1023 CA ILE A 66 6.216 -1.507 -2.367 1.00 0.00 C ATOM 1024 C ILE A 66 4.873 -0.795 -2.491 1.00 0.00 C ATOM 1025 O ILE A 66 3.847 -1.423 -2.752 1.00 0.00 O ATOM 1026 CB ILE A 66 6.698 -1.418 -0.907 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.977 -2.236 -0.720 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.610 -1.901 0.040 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.739 -3.729 -0.672 1.00 0.00 C ATOM 0 H ILE A 66 8.135 -0.851 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 66 6.096 -2.556 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 66 6.918 -0.376 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.664 -2.012 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.466 -1.925 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.966 -1.832 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.722 -1.280 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.362 -2.937 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.690 -4.245 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.077 -3.965 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.278 -4.054 -1.605 1.00 0.00 H new ATOM 1041 N PHE A 67 4.887 0.521 -2.304 1.00 0.00 N ATOM 1042 CA PHE A 67 3.671 1.319 -2.395 1.00 0.00 C ATOM 1043 C PHE A 67 2.847 0.918 -3.616 1.00 0.00 C ATOM 1044 O PHE A 67 1.637 0.717 -3.523 1.00 0.00 O ATOM 1045 CB PHE A 67 4.017 2.808 -2.467 1.00 0.00 C ATOM 1046 CG PHE A 67 4.607 3.348 -1.196 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.831 3.476 -0.055 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.939 3.726 -1.141 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.372 3.973 1.115 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.486 4.223 0.027 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.701 4.346 1.157 1.00 0.00 C ATOM 0 H PHE A 67 5.728 1.057 -2.088 1.00 0.00 H new ATOM 0 HA PHE A 67 3.077 1.133 -1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.721 2.970 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.115 3.371 -2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.792 3.184 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.557 3.631 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.756 4.070 1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.525 4.515 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.126 4.733 2.071 1.00 0.00 H new ATOM 1061 N ASN A 68 3.514 0.804 -4.760 1.00 0.00 N ATOM 1062 CA ASN A 68 2.844 0.428 -6.000 1.00 0.00 C ATOM 1063 C ASN A 68 2.234 -0.966 -5.888 1.00 0.00 C ATOM 1064 O ASN A 68 1.028 -1.141 -6.061 1.00 0.00 O ATOM 1065 CB ASN A 68 3.829 0.473 -7.170 1.00 0.00 C ATOM 1066 CG ASN A 68 4.339 1.874 -7.443 1.00 0.00 C ATOM 1067 OD1 ASN A 68 5.505 2.197 -6.894 1.00 0.00 O flip ATOM 1068 ND2 ASN A 68 3.693 2.658 -8.139 1.00 0.00 N flip ATOM 0 H ASN A 68 4.517 0.966 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 68 2.041 1.143 -6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.673 -0.183 -6.956 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.343 0.085 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.802 2.368 -8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.049 3.598 -8.313 1.00 0.00 H new ATOM 1075 N GLN A 69 3.075 -1.953 -5.597 1.00 0.00 N ATOM 1076 CA GLN A 69 2.618 -3.331 -5.462 1.00 0.00 C ATOM 1077 C GLN A 69 1.295 -3.394 -4.706 1.00 0.00 C ATOM 1078 O GLN A 69 0.481 -4.290 -4.934 1.00 0.00 O ATOM 1079 CB GLN A 69 3.672 -4.171 -4.739 1.00 0.00 C ATOM 1080 CG GLN A 69 5.076 -3.996 -5.295 1.00 0.00 C ATOM 1081 CD GLN A 69 5.963 -5.196 -5.030 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.748 -5.943 -4.075 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.968 -5.389 -5.877 1.00 0.00 N ATOM 0 H GLN A 69 4.076 -1.824 -5.450 1.00 0.00 H new ATOM 0 HA GLN A 69 2.464 -3.736 -6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.673 -3.906 -3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.393 -5.223 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.018 -3.822 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.530 -3.109 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.110 -4.745 -6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.598 -6.181 -5.749 1.00 0.00 H new ATOM 1092 N ILE A 70 1.087 -2.438 -3.806 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.138 -2.385 -3.018 1.00 0.00 C ATOM 1094 C ILE A 70 -1.256 -1.687 -3.785 1.00 0.00 C ATOM 1095 O ILE A 70 -2.425 -2.061 -3.678 1.00 0.00 O ATOM 1096 CB ILE A 70 0.085 -1.655 -1.680 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.241 -2.297 -0.911 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.188 -1.676 -0.848 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.846 -1.389 0.137 1.00 0.00 C ATOM 0 H ILE A 70 1.751 -1.690 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.428 -3.416 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 70 0.344 -0.617 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.885 -3.208 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.017 -2.592 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.015 -1.157 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.989 -1.178 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.474 -2.708 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.660 -1.909 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.232 -0.489 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.083 -1.114 0.865 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.889 -0.673 -4.561 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.861 0.077 -5.349 1.00 0.00 C ATOM 1113 C LEU A 71 -2.305 -0.722 -6.570 1.00 0.00 C ATOM 1114 O LEU A 71 -3.374 -0.476 -7.129 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.266 1.415 -5.790 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.265 2.473 -6.259 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.848 3.222 -5.070 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.603 3.441 -7.228 1.00 0.00 C ATOM 0 H LEU A 71 0.074 -0.351 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.733 0.263 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.695 1.827 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.560 1.227 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.079 1.969 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.557 3.971 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.360 2.519 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.045 3.713 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.330 4.187 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.769 3.938 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.236 2.893 -8.096 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.478 -1.680 -6.977 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.787 -2.516 -8.131 1.00 0.00 C ATOM 1132 C GLN A 72 -3.072 -3.305 -7.903 1.00 0.00 C ATOM 1133 O GLN A 72 -3.638 -3.874 -8.837 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.630 -3.474 -8.418 1.00 0.00 C ATOM 1135 CG GLN A 72 0.495 -2.844 -9.223 1.00 0.00 C ATOM 1136 CD GLN A 72 1.481 -3.870 -9.749 1.00 0.00 C ATOM 1137 OE1 GLN A 72 1.105 -4.799 -10.464 1.00 0.00 O ATOM 1138 NE2 GLN A 72 2.751 -3.705 -9.397 1.00 0.00 N ATOM 0 H GLN A 72 -0.590 -1.896 -6.525 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.931 -1.864 -8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.229 -3.840 -7.473 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.012 -4.340 -8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.071 -2.290 -10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.024 -2.124 -8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.018 -2.920 -8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.460 -4.363 -9.721 1.00 0.00 H new ATOM 1147 N THR A 73 -3.528 -3.337 -6.654 1.00 0.00 N ATOM 1148 CA THR A 73 -4.744 -4.058 -6.303 1.00 0.00 C ATOM 1149 C THR A 73 -5.946 -3.121 -6.260 1.00 0.00 C ATOM 1150 O THR A 73 -7.083 -3.546 -6.458 1.00 0.00 O ATOM 1151 CB THR A 73 -4.607 -4.761 -4.939 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.971 -3.862 -3.886 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.183 -5.252 -4.724 1.00 0.00 C ATOM 0 H THR A 73 -3.072 -2.871 -5.869 1.00 0.00 H new ATOM 0 HA THR A 73 -4.900 -4.810 -7.077 1.00 0.00 H new ATOM 0 HB THR A 73 -5.276 -5.621 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.230 -3.245 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.111 -5.745 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.919 -5.959 -5.511 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.498 -4.405 -4.752 1.00 0.00 H new ATOM 1161 N MET A 74 -5.685 -1.844 -6.000 1.00 0.00 N ATOM 1162 CA MET A 74 -6.747 -0.846 -5.933 1.00 0.00 C ATOM 1163 C MET A 74 -6.448 0.328 -6.859 1.00 0.00 C ATOM 1164 O MET A 74 -6.611 1.493 -6.496 1.00 0.00 O ATOM 1165 CB MET A 74 -6.917 -0.347 -4.497 1.00 0.00 C ATOM 1166 CG MET A 74 -5.608 -0.241 -3.731 1.00 0.00 C ATOM 1167 SD MET A 74 -5.841 0.318 -2.033 1.00 0.00 S ATOM 1168 CE MET A 74 -5.139 -1.057 -1.125 1.00 0.00 C ATOM 0 H MET A 74 -4.749 -1.476 -5.832 1.00 0.00 H new ATOM 0 HA MET A 74 -7.675 -1.316 -6.259 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.398 0.631 -4.516 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.587 -1.021 -3.964 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.115 -1.213 -3.725 1.00 0.00 H new ATOM 0 HG3 MET A 74 -4.943 0.450 -4.249 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.771 -1.287 -0.267 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.079 -1.930 -1.775 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.140 -0.792 -0.779 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.000 0.018 -8.085 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.669 1.034 -9.088 1.00 0.00 C ATOM 1180 C PRO A 75 -6.907 1.751 -9.616 1.00 0.00 C ATOM 1181 O PRO A 75 -6.802 2.698 -10.396 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.002 0.226 -10.204 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.553 -1.150 -10.058 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.781 -1.350 -8.585 1.00 0.00 C ATOM 0 HA PRO A 75 -5.037 1.822 -8.678 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.231 0.642 -11.185 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.917 0.231 -10.102 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.483 -1.259 -10.615 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.858 -1.892 -10.450 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.643 -1.990 -8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.923 -1.820 -8.106 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.078 1.294 -9.187 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.336 1.894 -9.615 1.00 0.00 C ATOM 1194 C ASP A 76 -10.207 2.248 -8.414 1.00 0.00 C ATOM 1195 O ASP A 76 -11.245 2.894 -8.556 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.090 0.940 -10.544 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.207 -0.457 -9.967 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.158 -1.093 -9.734 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -11.348 -0.914 -9.748 1.00 0.00 O ATOM 0 H ASP A 76 -8.182 0.510 -8.543 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.106 2.812 -10.157 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.087 1.336 -10.735 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.577 0.892 -11.505 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.777 1.819 -7.231 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.517 2.091 -6.006 1.00 0.00 C ATOM 1206 C ILE A 77 -9.699 2.953 -5.049 1.00 0.00 C ATOM 1207 O ILE A 77 -10.244 3.570 -4.134 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.918 0.788 -5.290 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.036 1.024 -3.782 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.907 -0.310 -5.582 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.468 -0.203 -3.010 1.00 0.00 C ATOM 0 H ILE A 77 -8.920 1.282 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.419 2.630 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.890 0.469 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.074 1.364 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.752 1.826 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.205 -1.224 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.868 -0.493 -6.656 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.922 -0.001 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.530 0.038 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.445 -0.531 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.741 -1.001 -3.159 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.389 2.991 -5.269 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.497 3.780 -4.429 1.00 0.00 C ATOM 1225 C ALA A 78 -6.391 4.425 -5.258 1.00 0.00 C ATOM 1226 O ALA A 78 -5.801 3.787 -6.130 1.00 0.00 O ATOM 1227 CB ALA A 78 -6.898 2.911 -3.333 1.00 0.00 C ATOM 0 H ALA A 78 -7.922 2.485 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.082 4.576 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.234 3.513 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.698 2.501 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.333 2.095 -3.784 1.00 0.00 H new ATOM 1233 N THR A 79 -6.116 5.696 -4.981 1.00 0.00 N ATOM 1234 CA THR A 79 -5.082 6.429 -5.703 1.00 0.00 C ATOM 1235 C THR A 79 -4.090 7.071 -4.740 1.00 0.00 C ATOM 1236 O THR A 79 -4.442 7.424 -3.614 1.00 0.00 O ATOM 1237 CB THR A 79 -5.692 7.523 -6.600 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.719 7.977 -7.548 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.180 8.697 -5.765 1.00 0.00 C ATOM 0 H THR A 79 -6.594 6.239 -4.262 1.00 0.00 H new ATOM 0 HA THR A 79 -4.560 5.706 -6.329 1.00 0.00 H new ATOM 0 HB THR A 79 -6.543 7.096 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.114 8.671 -8.116 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.607 9.457 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.941 8.354 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.343 9.123 -5.212 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.849 7.220 -5.189 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.805 7.821 -4.367 1.00 0.00 C ATOM 1249 C PHE A 80 -2.260 9.164 -3.805 1.00 0.00 C ATOM 1250 O PHE A 80 -2.181 10.191 -4.480 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.525 8.005 -5.184 1.00 0.00 C ATOM 1252 CG PHE A 80 0.421 6.841 -5.088 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.163 6.628 -3.937 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.567 5.961 -6.148 1.00 0.00 C ATOM 1255 CE1 PHE A 80 2.033 5.558 -3.845 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.436 4.889 -6.061 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.171 4.689 -4.909 1.00 0.00 C ATOM 0 H PHE A 80 -2.541 6.933 -6.118 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.602 7.148 -3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.790 8.162 -6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.014 8.907 -4.846 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.060 7.306 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.004 6.114 -7.052 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.604 5.402 -2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.540 4.209 -6.893 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.853 3.854 -4.841 1.00 0.00 H new ATOM 1267 N SER A 81 -2.738 9.149 -2.565 1.00 0.00 N ATOM 1268 CA SER A 81 -3.211 10.365 -1.913 1.00 0.00 C ATOM 1269 C SER A 81 -2.043 11.279 -1.555 1.00 0.00 C ATOM 1270 O SER A 81 -1.994 12.435 -1.974 1.00 0.00 O ATOM 1271 CB SER A 81 -4.006 10.017 -0.653 1.00 0.00 C ATOM 1272 OG SER A 81 -4.364 11.186 0.063 1.00 0.00 O ATOM 0 H SER A 81 -2.808 8.308 -1.992 1.00 0.00 H new ATOM 0 HA SER A 81 -3.862 10.892 -2.611 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.905 9.465 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.413 9.363 -0.014 1.00 0.00 H new ATOM 0 HG SER A 81 -4.872 10.937 0.863 1.00 0.00 H new ATOM 1278 N SER A 82 -1.104 10.750 -0.777 1.00 0.00 N ATOM 1279 CA SER A 82 0.063 11.519 -0.358 1.00 0.00 C ATOM 1280 C SER A 82 1.352 10.844 -0.819 1.00 0.00 C ATOM 1281 O SER A 82 1.832 9.902 -0.187 1.00 0.00 O ATOM 1282 CB SER A 82 0.074 11.680 1.163 1.00 0.00 C ATOM 1283 OG SER A 82 -0.703 12.795 1.563 1.00 0.00 O ATOM 0 H SER A 82 -1.128 9.793 -0.424 1.00 0.00 H new ATOM 0 HA SER A 82 0.004 12.504 -0.820 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.315 10.775 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.099 11.803 1.511 1.00 0.00 H new ATOM 0 HG SER A 82 -0.681 12.875 2.539 1.00 0.00 H new ATOM 1289 N ARG A 83 1.905 11.332 -1.924 1.00 0.00 N ATOM 1290 CA ARG A 83 3.137 10.777 -2.471 1.00 0.00 C ATOM 1291 C ARG A 83 4.067 10.311 -1.354 1.00 0.00 C ATOM 1292 O ARG A 83 4.240 10.982 -0.336 1.00 0.00 O ATOM 1293 CB ARG A 83 3.848 11.815 -3.340 1.00 0.00 C ATOM 1294 CG ARG A 83 3.344 11.857 -4.774 1.00 0.00 C ATOM 1295 CD ARG A 83 2.205 12.852 -4.935 1.00 0.00 C ATOM 1296 NE ARG A 83 2.468 14.104 -4.231 1.00 0.00 N ATOM 1297 CZ ARG A 83 3.399 14.975 -4.604 1.00 0.00 C ATOM 1298 NH1 ARG A 83 4.152 14.731 -5.668 1.00 0.00 N ATOM 1299 NH2 ARG A 83 3.579 16.093 -3.912 1.00 0.00 N ATOM 0 H ARG A 83 1.519 12.111 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 83 2.875 9.916 -3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.722 12.800 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.917 11.601 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.163 12.128 -5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.006 10.864 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.050 13.057 -5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.282 12.411 -4.558 1.00 0.00 H new ATOM 0 HE ARG A 83 1.906 14.322 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.017 13.873 -6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.866 15.402 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.002 16.284 -3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.294 16.761 -4.199 1.00 0.00 H new ATOM 1313 N PRO A 84 4.679 9.133 -1.546 1.00 0.00 N ATOM 1314 CA PRO A 84 5.601 8.551 -0.566 1.00 0.00 C ATOM 1315 C PRO A 84 6.910 9.328 -0.469 1.00 0.00 C ATOM 1316 O PRO A 84 7.848 9.081 -1.227 1.00 0.00 O ATOM 1317 CB PRO A 84 5.854 7.143 -1.109 1.00 0.00 C ATOM 1318 CG PRO A 84 5.606 7.252 -2.574 1.00 0.00 C ATOM 1319 CD PRO A 84 4.520 8.279 -2.735 1.00 0.00 C ATOM 0 HA PRO A 84 5.187 8.565 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.873 6.817 -0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.187 6.415 -0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.511 7.555 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.300 6.292 -2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.639 8.848 -3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.533 7.818 -2.770 1.00 0.00 H new ATOM 1327 N LYS A 85 6.967 10.267 0.469 1.00 0.00 N ATOM 1328 CA LYS A 85 8.162 11.079 0.667 1.00 0.00 C ATOM 1329 C LYS A 85 9.134 10.394 1.623 1.00 0.00 C ATOM 1330 O LYS A 85 8.758 9.476 2.352 1.00 0.00 O ATOM 1331 CB LYS A 85 7.782 12.458 1.211 1.00 0.00 C ATOM 1332 CG LYS A 85 7.764 12.529 2.728 1.00 0.00 C ATOM 1333 CD LYS A 85 6.704 11.614 3.317 1.00 0.00 C ATOM 1334 CE LYS A 85 5.306 12.179 3.115 1.00 0.00 C ATOM 1335 NZ LYS A 85 4.252 11.171 3.416 1.00 0.00 N ATOM 0 H LYS A 85 6.199 10.485 1.104 1.00 0.00 H new ATOM 0 HA LYS A 85 8.653 11.198 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.487 13.197 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.797 12.731 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.743 12.251 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.576 13.555 3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.771 10.631 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.892 11.476 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.170 13.050 3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.198 12.521 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.340 11.652 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.177 10.500 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.502 10.656 4.284 1.00 0.00 H new ATOM 1349 N ALA A 86 10.383 10.847 1.614 1.00 0.00 N ATOM 1350 CA ALA A 86 11.407 10.279 2.483 1.00 0.00 C ATOM 1351 C ALA A 86 11.322 10.866 3.888 1.00 0.00 C ATOM 1352 O ALA A 86 11.431 12.079 4.071 1.00 0.00 O ATOM 1353 CB ALA A 86 12.789 10.515 1.893 1.00 0.00 C ATOM 0 H ALA A 86 10.710 11.605 1.015 1.00 0.00 H new ATOM 0 HA ALA A 86 11.233 9.205 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.544 10.086 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.852 10.042 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.963 11.586 1.791 1.00 0.00 H new ATOM 1359 N ILE A 87 11.127 9.999 4.875 1.00 0.00 N ATOM 1360 CA ILE A 87 11.028 10.432 6.263 1.00 0.00 C ATOM 1361 C ILE A 87 12.158 9.848 7.104 1.00 0.00 C ATOM 1362 O ILE A 87 12.791 8.867 6.714 1.00 0.00 O ATOM 1363 CB ILE A 87 9.678 10.027 6.885 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.550 8.503 6.930 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.528 10.637 6.098 1.00 0.00 C ATOM 1366 CD1 ILE A 87 8.516 8.012 7.919 1.00 0.00 C ATOM 0 H ILE A 87 11.034 8.992 4.739 1.00 0.00 H new ATOM 0 HA ILE A 87 11.106 11.519 6.260 1.00 0.00 H new ATOM 0 HB ILE A 87 9.636 10.407 7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.292 8.139 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.518 8.073 7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.581 10.342 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.614 11.724 6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.564 10.283 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.480 6.923 7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.784 8.346 8.921 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.538 8.413 7.652 1.00 0.00 H new ATOM 1378 N ARG A 88 12.404 10.456 8.259 1.00 0.00 N ATOM 1379 CA ARG A 88 13.458 9.996 9.156 1.00 0.00 C ATOM 1380 C ARG A 88 14.761 9.773 8.394 1.00 0.00 C ATOM 1381 O ARG A 88 15.362 8.702 8.472 1.00 0.00 O ATOM 1382 CB ARG A 88 13.034 8.702 9.853 1.00 0.00 C ATOM 1383 CG ARG A 88 11.648 8.770 10.474 1.00 0.00 C ATOM 1384 CD ARG A 88 11.298 7.480 11.199 1.00 0.00 C ATOM 1385 NE ARG A 88 11.766 6.301 10.474 1.00 0.00 N ATOM 1386 CZ ARG A 88 12.982 5.786 10.617 1.00 0.00 C ATOM 1387 NH1 ARG A 88 13.848 6.342 11.453 1.00 0.00 N ATOM 1388 NH2 ARG A 88 13.334 4.711 9.923 1.00 0.00 N ATOM 0 H ARG A 88 11.888 11.269 8.596 1.00 0.00 H new ATOM 0 HA ARG A 88 13.624 10.768 9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 88 13.060 7.885 9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.760 8.463 10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.602 9.605 11.173 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.909 8.964 9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.740 7.492 12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.218 7.420 11.331 1.00 0.00 H new ATOM 0 HE ARG A 88 11.124 5.849 9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 88 13.581 7.168 11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.781 5.944 11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.671 4.280 9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.268 4.316 10.033 1.00 0.00 H new ATOM 1402 N GLY A 89 15.191 10.792 7.656 1.00 0.00 N ATOM 1403 CA GLY A 89 16.420 10.687 6.890 1.00 0.00 C ATOM 1404 C GLY A 89 16.287 9.748 5.708 1.00 0.00 C ATOM 1405 O GLY A 89 17.283 9.237 5.197 1.00 0.00 O ATOM 0 H GLY A 89 14.711 11.688 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.708 11.676 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.221 10.336 7.540 1.00 0.00 H new ATOM 1409 N GLY A 90 15.052 9.519 5.272 1.00 0.00 N ATOM 1410 CA GLY A 90 14.815 8.633 4.146 1.00 0.00 C ATOM 1411 C GLY A 90 14.741 7.177 4.560 1.00 0.00 C ATOM 1412 O GLY A 90 14.062 6.374 3.918 1.00 0.00 O ATOM 0 H GLY A 90 14.212 9.931 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.884 8.916 3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.613 8.759 3.414 1.00 0.00 H new ATOM 1416 N THR A 91 15.442 6.832 5.635 1.00 0.00 N ATOM 1417 CA THR A 91 15.456 5.462 6.132 1.00 0.00 C ATOM 1418 C THR A 91 14.078 4.821 6.013 1.00 0.00 C ATOM 1419 O THR A 91 13.958 3.600 5.915 1.00 0.00 O ATOM 1420 CB THR A 91 15.913 5.402 7.602 1.00 0.00 C ATOM 1421 OG1 THR A 91 15.077 6.238 8.409 1.00 0.00 O ATOM 1422 CG2 THR A 91 17.362 5.845 7.736 1.00 0.00 C ATOM 0 H THR A 91 16.008 7.483 6.179 1.00 0.00 H new ATOM 0 HA THR A 91 16.166 4.909 5.516 1.00 0.00 H new ATOM 0 HB THR A 91 15.832 4.370 7.943 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.541 7.081 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.663 5.794 8.783 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.999 5.189 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 91 17.464 6.870 7.378 1.00 0.00 H new ATOM 1430 N ALA A 92 13.041 5.651 6.022 1.00 0.00 N ATOM 1431 CA ALA A 92 11.671 5.165 5.913 1.00 0.00 C ATOM 1432 C ALA A 92 10.825 6.096 5.052 1.00 0.00 C ATOM 1433 O ALA A 92 11.172 7.260 4.853 1.00 0.00 O ATOM 1434 CB ALA A 92 11.053 5.013 7.295 1.00 0.00 C ATOM 0 H ALA A 92 13.123 6.664 6.104 1.00 0.00 H new ATOM 0 HA ALA A 92 11.696 4.189 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.030 4.649 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.637 4.302 7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.048 5.979 7.800 1.00 0.00 H new ATOM 1440 N SER A 93 9.713 5.576 4.542 1.00 0.00 N ATOM 1441 CA SER A 93 8.819 6.360 3.698 1.00 0.00 C ATOM 1442 C SER A 93 7.371 6.209 4.153 1.00 0.00 C ATOM 1443 O SER A 93 6.969 5.152 4.639 1.00 0.00 O ATOM 1444 CB SER A 93 8.954 5.928 2.237 1.00 0.00 C ATOM 1445 OG SER A 93 8.284 6.831 1.374 1.00 0.00 O ATOM 0 H SER A 93 9.410 4.615 4.699 1.00 0.00 H new ATOM 0 HA SER A 93 9.102 7.409 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.008 5.876 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.542 4.927 2.111 1.00 0.00 H new ATOM 0 HG SER A 93 8.428 7.749 1.686 1.00 0.00 H new ATOM 1451 N MET A 94 6.593 7.274 3.993 1.00 0.00 N ATOM 1452 CA MET A 94 5.188 7.261 4.386 1.00 0.00 C ATOM 1453 C MET A 94 4.304 7.786 3.260 1.00 0.00 C ATOM 1454 O MET A 94 4.673 8.726 2.554 1.00 0.00 O ATOM 1455 CB MET A 94 4.982 8.102 5.647 1.00 0.00 C ATOM 1456 CG MET A 94 3.682 7.797 6.374 1.00 0.00 C ATOM 1457 SD MET A 94 2.237 8.448 5.515 1.00 0.00 S ATOM 1458 CE MET A 94 2.457 10.208 5.765 1.00 0.00 C ATOM 0 H MET A 94 6.911 8.157 3.594 1.00 0.00 H new ATOM 0 HA MET A 94 4.904 6.230 4.596 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.817 7.934 6.327 1.00 0.00 H new ATOM 0 HB3 MET A 94 4.999 9.158 5.377 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.578 6.718 6.486 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.724 8.219 7.378 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.156 10.744 4.865 1.00 0.00 H new ATOM 0 HE2 MET A 94 1.844 10.536 6.605 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.505 10.417 5.978 1.00 0.00 H new ATOM 1468 N CYS A 95 3.136 7.174 3.097 1.00 0.00 N ATOM 1469 CA CYS A 95 2.199 7.580 2.055 1.00 0.00 C ATOM 1470 C CYS A 95 0.765 7.248 2.455 1.00 0.00 C ATOM 1471 O CYS A 95 0.528 6.379 3.294 1.00 0.00 O ATOM 1472 CB CYS A 95 2.545 6.892 0.733 1.00 0.00 C ATOM 1473 SG CYS A 95 1.188 6.866 -0.462 1.00 0.00 S ATOM 0 H CYS A 95 2.815 6.395 3.673 1.00 0.00 H new ATOM 0 HA CYS A 95 2.281 8.659 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.400 7.398 0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.854 5.867 0.939 1.00 0.00 H new ATOM 0 HG CYS A 95 1.635 6.472 -1.618 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.190 7.947 1.849 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.601 7.728 2.142 1.00 0.00 C ATOM 1481 C VAL A 96 -2.367 7.330 0.886 1.00 0.00 C ATOM 1482 O VAL A 96 -1.932 7.604 -0.233 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.250 8.986 2.749 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.676 8.691 3.190 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.420 9.504 3.914 1.00 0.00 C ATOM 0 H VAL A 96 -0.012 8.670 1.152 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.652 6.916 2.868 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.284 9.761 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.119 9.591 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.264 8.370 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.669 7.900 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.893 10.393 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.352 8.735 4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.419 9.756 3.564 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.512 6.682 1.078 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.340 6.246 -0.040 1.00 0.00 C ATOM 1497 C PHE A 97 -5.774 6.744 0.117 1.00 0.00 C ATOM 1498 O PHE A 97 -6.408 6.525 1.150 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.328 4.719 -0.146 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.982 4.154 -0.500 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -2.007 3.992 0.472 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.692 3.783 -1.803 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.767 3.473 0.149 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.454 3.263 -2.132 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.491 3.107 -1.154 1.00 0.00 C ATOM 0 H PHE A 97 -3.887 6.448 1.997 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.925 6.671 -0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.653 4.294 0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.053 4.409 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.218 4.274 1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.442 3.901 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.015 3.354 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.240 2.979 -3.152 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.476 2.699 -1.408 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.277 7.416 -0.913 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.634 7.947 -0.889 1.00 0.00 C ATOM 1517 C ARG A 98 -8.433 7.453 -2.091 1.00 0.00 C ATOM 1518 O ARG A 98 -7.868 7.146 -3.142 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.606 9.477 -0.876 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.472 10.095 -2.258 1.00 0.00 C ATOM 1521 CD ARG A 98 -6.970 11.529 -2.180 1.00 0.00 C ATOM 1522 NE ARG A 98 -8.058 12.478 -1.958 1.00 0.00 N ATOM 1523 CZ ARG A 98 -8.956 12.796 -2.883 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -8.898 12.244 -4.087 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -9.917 13.668 -2.604 1.00 0.00 N ATOM 0 H ARG A 98 -5.765 7.606 -1.775 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.120 7.591 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.520 9.845 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.775 9.812 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.785 9.500 -2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.438 10.073 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.243 11.615 -1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.451 11.782 -3.104 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.132 12.921 -1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.162 11.573 -4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.590 12.491 -4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.966 14.094 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.607 13.912 -3.315 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.750 7.378 -1.930 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.627 6.921 -3.002 1.00 0.00 C ATOM 1541 C HIS A 99 -10.808 8.009 -4.057 1.00 0.00 C ATOM 1542 O HIS A 99 -10.688 9.199 -3.763 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.988 6.511 -2.437 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.768 5.612 -3.347 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.287 6.030 -4.554 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.114 4.310 -3.221 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -13.921 5.025 -5.130 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -13.831 3.969 -4.341 1.00 0.00 N ATOM 0 H HIS A 99 -10.234 7.628 -1.067 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.162 6.055 -3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.839 6.007 -1.482 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.574 7.408 -2.236 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.871 3.660 -2.393 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.427 5.060 -6.084 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.229 3.050 -4.533 1.00 0.00 H new