USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=22 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 73 THR OG1 : rot -56:sc= 1.17 USER MOD Set 1.2: A 74 MET CE :methyl -112:sc= -2.11 (180deg=-6.9!) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -142:sc= 0.366 (180deg=-1.41!) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 25:sc= 0.0937 USER MOD Single : A 16 LYS NZ :NH3+ -102:sc= 0.0626 (180deg=-0.0799) 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= -0.0179 X(o=-0.018,f=-0.13) USER MOD Single : A 26 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.17) USER MOD Single : A 27 HIS : no HD1:sc= -0.355 X(o=-0.36,f=-0.24) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -4.54! (180deg=-7.78!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.186 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.441 F(o=-1.2,f=-0.44) USER MOD Single : A 37 GLN : amide:sc= -0.814 X(o=-0.81,f=-0.69) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.902 USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -1.97! (180deg=-2.31!) USER MOD Single : A 63 THR OG1 : rot 31:sc= 0.0422 USER MOD Single : A 68 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.31) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 72 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.78) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0716 USER MOD Single : A 81 SER OG : rot -62:sc= -2.49 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 110:sc= -0.849 USER MOD Single : A 94 MET CE :methyl -157:sc= -0.112 (180deg=-0.657) USER MOD Single : A 95 CYS SG : rot 64:sc= 0.317 USER MOD Single : A 99 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.520 6.480 11.240 1.00 0.00 N ATOM 169 CA THR A 15 -8.310 6.388 10.433 1.00 0.00 C ATOM 170 C THR A 15 -7.508 5.140 10.785 1.00 0.00 C ATOM 171 O THR A 15 -7.415 4.757 11.951 1.00 0.00 O ATOM 172 CB THR A 15 -7.415 7.628 10.619 1.00 0.00 C ATOM 173 OG1 THR A 15 -8.155 8.816 10.315 1.00 0.00 O ATOM 174 CG2 THR A 15 -6.186 7.548 9.726 1.00 0.00 C ATOM 0 HA THR A 15 -8.628 6.331 9.392 1.00 0.00 H new ATOM 0 HB THR A 15 -7.088 7.660 11.658 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.112 8.648 10.445 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.570 8.435 9.875 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.609 6.658 9.979 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.497 7.494 8.683 1.00 0.00 H new ATOM 182 N LYS A 16 -6.929 4.509 9.769 1.00 0.00 N ATOM 183 CA LYS A 16 -6.133 3.304 9.970 1.00 0.00 C ATOM 184 C LYS A 16 -4.682 3.536 9.559 1.00 0.00 C ATOM 185 O LYS A 16 -4.411 4.156 8.532 1.00 0.00 O ATOM 186 CB LYS A 16 -6.721 2.140 9.170 1.00 0.00 C ATOM 187 CG LYS A 16 -8.069 1.667 9.686 1.00 0.00 C ATOM 188 CD LYS A 16 -7.916 0.748 10.887 1.00 0.00 C ATOM 189 CE LYS A 16 -9.126 0.825 11.805 1.00 0.00 C ATOM 190 NZ LYS A 16 -9.151 2.093 12.585 1.00 0.00 N ATOM 0 H LYS A 16 -6.996 4.812 8.797 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.157 3.056 11.031 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.826 2.443 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.020 1.305 9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.677 2.529 9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.600 1.143 8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.781 -0.279 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.018 1.020 11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.037 0.745 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.116 -0.023 12.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.826 1.910 13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.523 2.790 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.121 2.467 12.609 1.00 0.00 H new ATOM 204 N GLU A 17 -3.755 3.033 10.368 1.00 0.00 N ATOM 205 CA GLU A 17 -2.332 3.185 10.086 1.00 0.00 C ATOM 206 C GLU A 17 -1.654 1.824 9.955 1.00 0.00 C ATOM 207 O GLU A 17 -1.810 0.955 10.814 1.00 0.00 O ATOM 208 CB GLU A 17 -1.655 4.000 11.190 1.00 0.00 C ATOM 209 CG GLU A 17 -1.936 5.491 11.106 1.00 0.00 C ATOM 210 CD GLU A 17 -1.868 6.175 12.457 1.00 0.00 C ATOM 211 OE1 GLU A 17 -2.495 5.668 13.411 1.00 0.00 O ATOM 212 OE2 GLU A 17 -1.189 7.217 12.561 1.00 0.00 O ATOM 0 H GLU A 17 -3.963 2.517 11.223 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.230 3.714 9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.989 3.630 12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.578 3.839 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.216 5.955 10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.924 5.647 10.674 1.00 0.00 H new ATOM 219 N LEU A 18 -0.903 1.646 8.874 1.00 0.00 N ATOM 220 CA LEU A 18 -0.201 0.391 8.629 1.00 0.00 C ATOM 221 C LEU A 18 1.310 0.593 8.680 1.00 0.00 C ATOM 222 O LEU A 18 1.855 1.460 7.996 1.00 0.00 O ATOM 223 CB LEU A 18 -0.604 -0.184 7.270 1.00 0.00 C ATOM 224 CG LEU A 18 -0.571 -1.708 7.150 1.00 0.00 C ATOM 225 CD1 LEU A 18 -1.735 -2.329 7.906 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.597 -2.128 5.687 1.00 0.00 C ATOM 0 H LEU A 18 -0.764 2.354 8.153 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.482 -0.313 9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.613 0.157 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.056 0.235 6.510 1.00 0.00 H new ATOM 0 HG LEU A 18 0.357 -2.068 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.695 -3.414 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.672 -2.056 8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.674 -1.963 7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.573 -3.216 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.508 -1.756 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.271 -1.714 5.174 1.00 0.00 H new ATOM 238 N VAL A 19 1.983 -0.214 9.494 1.00 0.00 N ATOM 239 CA VAL A 19 3.432 -0.126 9.632 1.00 0.00 C ATOM 240 C VAL A 19 4.086 -1.490 9.438 1.00 0.00 C ATOM 241 O VAL A 19 3.921 -2.392 10.259 1.00 0.00 O ATOM 242 CB VAL A 19 3.831 0.431 11.012 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.345 0.472 11.153 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.230 1.812 11.222 1.00 0.00 C ATOM 0 H VAL A 19 1.548 -0.936 10.068 1.00 0.00 H new ATOM 0 HA VAL A 19 3.784 0.556 8.858 1.00 0.00 H new ATOM 0 HB VAL A 19 3.436 -0.233 11.781 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.608 0.868 12.134 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.748 -0.536 11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.765 1.113 10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.522 2.191 12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.594 2.488 10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.143 1.748 11.167 1.00 0.00 H new ATOM 254 N PHE A 20 4.830 -1.633 8.346 1.00 0.00 N ATOM 255 CA PHE A 20 5.509 -2.887 8.043 1.00 0.00 C ATOM 256 C PHE A 20 6.894 -2.627 7.457 1.00 0.00 C ATOM 257 O PHE A 20 7.195 -1.519 7.015 1.00 0.00 O ATOM 258 CB PHE A 20 4.677 -3.719 7.065 1.00 0.00 C ATOM 259 CG PHE A 20 4.374 -3.006 5.778 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.313 -2.956 4.761 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.150 -2.386 5.586 1.00 0.00 C ATOM 262 CE1 PHE A 20 5.037 -2.301 3.575 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.868 -1.730 4.403 1.00 0.00 C ATOM 264 CZ PHE A 20 3.814 -1.686 3.397 1.00 0.00 C ATOM 0 H PHE A 20 4.978 -0.896 7.657 1.00 0.00 H new ATOM 0 HA PHE A 20 5.625 -3.443 8.974 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.210 -4.643 6.842 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.739 -3.999 7.545 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.272 -3.434 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.408 -2.416 6.370 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.777 -2.271 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.909 -1.252 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.597 -1.171 2.473 1.00 0.00 H new ATOM 274 N SER A 21 7.733 -3.658 7.457 1.00 0.00 N ATOM 275 CA SER A 21 9.087 -3.542 6.930 1.00 0.00 C ATOM 276 C SER A 21 9.151 -4.024 5.484 1.00 0.00 C ATOM 277 O SER A 21 8.568 -5.051 5.135 1.00 0.00 O ATOM 278 CB SER A 21 10.063 -4.345 7.792 1.00 0.00 C ATOM 279 OG SER A 21 9.651 -5.696 7.904 1.00 0.00 O ATOM 0 H SER A 21 7.498 -4.583 7.816 1.00 0.00 H new ATOM 0 HA SER A 21 9.372 -2.490 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.061 -4.301 7.355 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.130 -3.898 8.784 1.00 0.00 H new ATOM 0 HG SER A 21 10.292 -6.189 8.458 1.00 0.00 H new ATOM 285 N SER A 22 9.863 -3.276 4.648 1.00 0.00 N ATOM 286 CA SER A 22 10.001 -3.624 3.239 1.00 0.00 C ATOM 287 C SER A 22 10.304 -5.110 3.073 1.00 0.00 C ATOM 288 O SER A 22 9.714 -5.785 2.230 1.00 0.00 O ATOM 289 CB SER A 22 11.109 -2.791 2.592 1.00 0.00 C ATOM 290 OG SER A 22 11.460 -3.309 1.320 1.00 0.00 O ATOM 0 H SER A 22 10.353 -2.425 4.922 1.00 0.00 H new ATOM 0 HA SER A 22 9.055 -3.406 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.778 -1.758 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.986 -2.782 3.239 1.00 0.00 H new ATOM 0 HG SER A 22 12.169 -2.758 0.927 1.00 0.00 H new ATOM 296 N ASN A 23 11.228 -5.614 3.885 1.00 0.00 N ATOM 297 CA ASN A 23 11.610 -7.020 3.829 1.00 0.00 C ATOM 298 C ASN A 23 10.400 -7.902 3.538 1.00 0.00 C ATOM 299 O ASN A 23 10.528 -8.970 2.939 1.00 0.00 O ATOM 300 CB ASN A 23 12.260 -7.446 5.148 1.00 0.00 C ATOM 301 CG ASN A 23 12.331 -8.953 5.297 1.00 0.00 C ATOM 302 OD1 ASN A 23 11.439 -9.573 5.876 1.00 0.00 O ATOM 303 ND2 ASN A 23 13.395 -9.550 4.773 1.00 0.00 N ATOM 0 H ASN A 23 11.726 -5.069 4.589 1.00 0.00 H new ATOM 0 HA ASN A 23 12.330 -7.143 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.266 -7.030 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.694 -7.028 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.497 -10.563 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.110 -8.996 4.302 1.00 0.00 H new ATOM 310 N ILE A 24 9.227 -7.447 3.965 1.00 0.00 N ATOM 311 CA ILE A 24 7.994 -8.193 3.748 1.00 0.00 C ATOM 312 C ILE A 24 8.033 -8.947 2.423 1.00 0.00 C ATOM 313 O ILE A 24 8.419 -8.394 1.393 1.00 0.00 O ATOM 314 CB ILE A 24 6.764 -7.265 3.761 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.498 -8.056 3.426 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.955 -6.119 2.779 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.220 -7.297 3.707 1.00 0.00 C ATOM 0 H ILE A 24 9.105 -6.565 4.463 1.00 0.00 H new ATOM 0 HA ILE A 24 7.909 -8.907 4.567 1.00 0.00 H new ATOM 0 HB ILE A 24 6.654 -6.846 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.521 -8.335 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.495 -8.982 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.078 -5.472 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.837 -5.543 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.087 -6.519 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.363 -7.918 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.174 -7.041 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.201 -6.384 3.112 1.00 0.00 H new ATOM 329 N GLY A 25 7.629 -10.213 2.456 1.00 0.00 N ATOM 330 CA GLY A 25 7.624 -11.022 1.251 1.00 0.00 C ATOM 331 C GLY A 25 6.293 -10.976 0.527 1.00 0.00 C ATOM 332 O GLY A 25 5.246 -10.807 1.151 1.00 0.00 O ATOM 0 H GLY A 25 7.305 -10.693 3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.411 -10.675 0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.858 -12.055 1.510 1.00 0.00 H new ATOM 336 N GLN A 26 6.334 -11.125 -0.793 1.00 0.00 N ATOM 337 CA GLN A 26 5.121 -11.097 -1.602 1.00 0.00 C ATOM 338 C GLN A 26 4.010 -11.910 -0.946 1.00 0.00 C ATOM 339 O GLN A 26 2.878 -11.441 -0.816 1.00 0.00 O ATOM 340 CB GLN A 26 5.406 -11.640 -3.004 1.00 0.00 C ATOM 341 CG GLN A 26 4.232 -11.501 -3.960 1.00 0.00 C ATOM 342 CD GLN A 26 3.930 -10.056 -4.307 1.00 0.00 C ATOM 343 OE1 GLN A 26 4.826 -9.291 -4.662 1.00 0.00 O ATOM 344 NE2 GLN A 26 2.662 -9.675 -4.205 1.00 0.00 N ATOM 0 H GLN A 26 7.193 -11.266 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 26 4.790 -10.061 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.267 -11.116 -3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.680 -12.692 -2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.446 -12.053 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.348 -11.956 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.951 -10.343 -3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.399 -8.714 -4.425 1.00 0.00 H new ATOM 353 N HIS A 27 4.340 -13.129 -0.533 1.00 0.00 N ATOM 354 CA HIS A 27 3.369 -14.007 0.111 1.00 0.00 C ATOM 355 C HIS A 27 2.634 -13.276 1.230 1.00 0.00 C ATOM 356 O HIS A 27 1.423 -13.429 1.394 1.00 0.00 O ATOM 357 CB HIS A 27 4.064 -15.250 0.668 1.00 0.00 C ATOM 358 CG HIS A 27 5.065 -15.848 -0.271 1.00 0.00 C ATOM 359 ND1 HIS A 27 4.712 -16.647 -1.338 1.00 0.00 N ATOM 360 CD2 HIS A 27 6.416 -15.759 -0.300 1.00 0.00 C ATOM 361 CE1 HIS A 27 5.802 -17.024 -1.982 1.00 0.00 C ATOM 362 NE2 HIS A 27 6.849 -16.499 -1.373 1.00 0.00 N ATOM 0 H HIS A 27 5.272 -13.532 -0.633 1.00 0.00 H new ATOM 0 HA HIS A 27 2.640 -14.313 -0.639 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.564 -14.989 1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.311 -16.000 0.909 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.037 -15.209 0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.832 -17.655 -2.858 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.822 -16.623 -1.654 1.00 0.00 H new ATOM 371 N ASP A 28 3.373 -12.482 1.997 1.00 0.00 N ATOM 372 CA ASP A 28 2.791 -11.727 3.101 1.00 0.00 C ATOM 373 C ASP A 28 2.097 -10.468 2.591 1.00 0.00 C ATOM 374 O ASP A 28 0.914 -10.249 2.854 1.00 0.00 O ATOM 375 CB ASP A 28 3.872 -11.353 4.116 1.00 0.00 C ATOM 376 CG ASP A 28 4.511 -12.570 4.756 1.00 0.00 C ATOM 377 OD1 ASP A 28 3.820 -13.601 4.891 1.00 0.00 O ATOM 378 OD2 ASP A 28 5.702 -12.491 5.122 1.00 0.00 O ATOM 0 H ASP A 28 4.376 -12.344 1.875 1.00 0.00 H new ATOM 0 HA ASP A 28 2.048 -12.358 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.641 -10.760 3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.436 -10.725 4.892 1.00 0.00 H new ATOM 383 N LEU A 29 2.840 -9.643 1.862 1.00 0.00 N ATOM 384 CA LEU A 29 2.296 -8.404 1.316 1.00 0.00 C ATOM 385 C LEU A 29 0.926 -8.640 0.690 1.00 0.00 C ATOM 386 O LEU A 29 0.032 -7.801 0.794 1.00 0.00 O ATOM 387 CB LEU A 29 3.252 -7.821 0.274 1.00 0.00 C ATOM 388 CG LEU A 29 2.744 -6.599 -0.493 1.00 0.00 C ATOM 389 CD1 LEU A 29 2.489 -5.440 0.458 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.738 -6.196 -1.573 1.00 0.00 C ATOM 0 H LEU A 29 3.820 -9.809 1.635 1.00 0.00 H new ATOM 0 HA LEU A 29 2.183 -7.693 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.182 -7.550 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.493 -8.603 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 29 1.802 -6.862 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.128 -4.580 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.740 -5.732 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.416 -5.177 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.360 -5.325 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.696 -5.952 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.871 -7.022 -2.272 1.00 0.00 H new ATOM 402 N ASP A 30 0.767 -9.789 0.041 1.00 0.00 N ATOM 403 CA ASP A 30 -0.496 -10.138 -0.599 1.00 0.00 C ATOM 404 C ASP A 30 -1.678 -9.755 0.287 1.00 0.00 C ATOM 405 O ASP A 30 -2.694 -9.256 -0.196 1.00 0.00 O ATOM 406 CB ASP A 30 -0.538 -11.635 -0.909 1.00 0.00 C ATOM 407 CG ASP A 30 -1.715 -12.010 -1.788 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.868 -11.851 -1.336 1.00 0.00 O ATOM 409 OD2 ASP A 30 -1.483 -12.464 -2.929 1.00 0.00 O ATOM 0 H ASP A 30 1.497 -10.494 -0.056 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.569 -9.580 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.389 -11.927 -1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.592 -12.195 0.024 1.00 0.00 H new ATOM 414 N THR A 31 -1.538 -9.994 1.587 1.00 0.00 N ATOM 415 CA THR A 31 -2.594 -9.677 2.540 1.00 0.00 C ATOM 416 C THR A 31 -2.621 -8.185 2.855 1.00 0.00 C ATOM 417 O THR A 31 -3.683 -7.562 2.866 1.00 0.00 O ATOM 418 CB THR A 31 -2.420 -10.463 3.853 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.373 -11.868 3.580 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.560 -10.167 4.816 1.00 0.00 C ATOM 0 H THR A 31 -0.703 -10.406 2.004 1.00 0.00 H new ATOM 0 HA THR A 31 -3.537 -9.965 2.074 1.00 0.00 H new ATOM 0 HB THR A 31 -1.484 -10.151 4.316 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.260 -12.361 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.415 -10.733 5.736 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.576 -9.101 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.507 -10.454 4.358 1.00 0.00 H new ATOM 428 N LYS A 32 -1.448 -7.617 3.109 1.00 0.00 N ATOM 429 CA LYS A 32 -1.336 -6.198 3.422 1.00 0.00 C ATOM 430 C LYS A 32 -2.235 -5.367 2.511 1.00 0.00 C ATOM 431 O LYS A 32 -2.974 -4.500 2.976 1.00 0.00 O ATOM 432 CB LYS A 32 0.117 -5.736 3.281 1.00 0.00 C ATOM 433 CG LYS A 32 1.030 -6.261 4.375 1.00 0.00 C ATOM 434 CD LYS A 32 1.048 -5.334 5.579 1.00 0.00 C ATOM 435 CE LYS A 32 1.790 -5.957 6.751 1.00 0.00 C ATOM 436 NZ LYS A 32 3.182 -6.341 6.385 1.00 0.00 N ATOM 0 H LYS A 32 -0.560 -8.119 3.104 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.659 -6.053 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.500 -6.059 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.145 -4.646 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.698 -7.252 4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.042 -6.371 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.522 -4.391 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.025 -5.102 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.814 -5.252 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.249 -6.838 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.786 -6.307 7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.185 -7.306 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.548 -5.679 5.671 1.00 0.00 H new ATOM 450 N SER A 33 -2.166 -5.640 1.211 1.00 0.00 N ATOM 451 CA SER A 33 -2.972 -4.916 0.235 1.00 0.00 C ATOM 452 C SER A 33 -4.458 -5.047 0.554 1.00 0.00 C ATOM 453 O SER A 33 -5.152 -4.050 0.755 1.00 0.00 O ATOM 454 CB SER A 33 -2.693 -5.439 -1.176 1.00 0.00 C ATOM 455 OG SER A 33 -1.306 -5.417 -1.463 1.00 0.00 O ATOM 0 H SER A 33 -1.561 -6.357 0.810 1.00 0.00 H new ATOM 0 HA SER A 33 -2.699 -3.862 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.071 -6.457 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.228 -4.831 -1.905 1.00 0.00 H new ATOM 0 HG SER A 33 -1.154 -5.757 -2.369 1.00 0.00 H new ATOM 461 N LYS A 34 -4.941 -6.284 0.598 1.00 0.00 N ATOM 462 CA LYS A 34 -6.344 -6.548 0.894 1.00 0.00 C ATOM 463 C LYS A 34 -6.818 -5.712 2.078 1.00 0.00 C ATOM 464 O LYS A 34 -7.725 -4.892 1.945 1.00 0.00 O ATOM 465 CB LYS A 34 -6.553 -8.035 1.190 1.00 0.00 C ATOM 466 CG LYS A 34 -6.122 -8.948 0.054 1.00 0.00 C ATOM 467 CD LYS A 34 -6.075 -10.401 0.494 1.00 0.00 C ATOM 468 CE LYS A 34 -6.132 -11.346 -0.696 1.00 0.00 C ATOM 469 NZ LYS A 34 -5.897 -12.761 -0.294 1.00 0.00 N ATOM 0 H LYS A 34 -4.381 -7.120 0.432 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.932 -6.271 0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.996 -8.300 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.607 -8.209 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.814 -8.842 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.139 -8.644 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.161 -10.581 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.910 -10.607 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.106 -11.263 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.385 -11.049 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.944 -13.373 -1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.958 -12.846 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.625 -13.053 0.389 1.00 0.00 H new ATOM 483 N GLN A 35 -6.196 -5.925 3.233 1.00 0.00 N ATOM 484 CA GLN A 35 -6.555 -5.189 4.440 1.00 0.00 C ATOM 485 C GLN A 35 -6.738 -3.705 4.139 1.00 0.00 C ATOM 486 O GLN A 35 -7.694 -3.082 4.601 1.00 0.00 O ATOM 487 CB GLN A 35 -5.482 -5.375 5.514 1.00 0.00 C ATOM 488 CG GLN A 35 -5.949 -5.002 6.912 1.00 0.00 C ATOM 489 CD GLN A 35 -7.027 -5.931 7.434 1.00 0.00 C ATOM 490 OE1 GLN A 35 -8.269 -5.680 7.035 1.00 0.00 O flip ATOM 491 NE2 GLN A 35 -6.748 -6.865 8.187 1.00 0.00 N flip ATOM 0 H GLN A 35 -5.442 -6.600 3.359 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.501 -5.585 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.157 -6.415 5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.613 -4.769 5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.098 -5.021 7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.328 -3.980 6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.780 -7.022 8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.485 -7.482 8.529 1.00 0.00 H new ATOM 500 N ILE A 36 -5.816 -3.146 3.362 1.00 0.00 N ATOM 501 CA ILE A 36 -5.877 -1.736 2.999 1.00 0.00 C ATOM 502 C ILE A 36 -7.094 -1.445 2.127 1.00 0.00 C ATOM 503 O ILE A 36 -7.880 -0.545 2.423 1.00 0.00 O ATOM 504 CB ILE A 36 -4.606 -1.292 2.251 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.388 -1.385 3.172 1.00 0.00 C ATOM 506 CG2 ILE A 36 -4.770 0.125 1.723 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.076 -1.511 2.429 1.00 0.00 C ATOM 0 H ILE A 36 -5.018 -3.648 2.972 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.957 -1.174 3.929 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.449 -1.959 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.354 -0.499 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.506 -2.244 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.864 0.424 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.617 0.162 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.948 0.805 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.257 -1.572 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.090 -2.412 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.935 -0.640 1.790 1.00 0.00 H new ATOM 519 N GLN A 37 -7.243 -2.213 1.053 1.00 0.00 N ATOM 520 CA GLN A 37 -8.365 -2.037 0.138 1.00 0.00 C ATOM 521 C GLN A 37 -9.682 -1.958 0.903 1.00 0.00 C ATOM 522 O GLN A 37 -10.458 -1.019 0.723 1.00 0.00 O ATOM 523 CB GLN A 37 -8.415 -3.188 -0.868 1.00 0.00 C ATOM 524 CG GLN A 37 -9.260 -2.886 -2.096 1.00 0.00 C ATOM 525 CD GLN A 37 -9.240 -4.014 -3.109 1.00 0.00 C ATOM 526 OE1 GLN A 37 -8.920 -5.156 -2.778 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.584 -3.699 -4.352 1.00 0.00 N ATOM 0 H GLN A 37 -6.601 -2.963 0.795 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.220 -1.100 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.400 -3.427 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.811 -4.075 -0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.288 -2.698 -1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.896 -1.973 -2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.842 -2.739 -4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.590 -4.417 -5.077 1.00 0.00 H new ATOM 536 N GLN A 38 -9.927 -2.948 1.754 1.00 0.00 N ATOM 537 CA GLN A 38 -11.152 -2.990 2.545 1.00 0.00 C ATOM 538 C GLN A 38 -11.432 -1.635 3.186 1.00 0.00 C ATOM 539 O GLN A 38 -12.567 -1.156 3.178 1.00 0.00 O ATOM 540 CB GLN A 38 -11.050 -4.067 3.626 1.00 0.00 C ATOM 541 CG GLN A 38 -11.037 -5.484 3.073 1.00 0.00 C ATOM 542 CD GLN A 38 -12.428 -6.073 2.947 1.00 0.00 C ATOM 543 OE1 GLN A 38 -13.036 -6.036 1.877 1.00 0.00 O ATOM 544 NE2 GLN A 38 -12.939 -6.624 4.042 1.00 0.00 N ATOM 0 H GLN A 38 -9.294 -3.732 1.914 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.978 -3.234 1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.141 -3.904 4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.890 -3.961 4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.556 -5.484 2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.435 -6.119 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.400 -6.633 4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.871 -7.039 4.017 1.00 0.00 H new ATOM 553 N TRP A 39 -10.393 -1.022 3.740 1.00 0.00 N ATOM 554 CA TRP A 39 -10.528 0.279 4.387 1.00 0.00 C ATOM 555 C TRP A 39 -10.950 1.345 3.382 1.00 0.00 C ATOM 556 O TRP A 39 -11.970 2.010 3.562 1.00 0.00 O ATOM 557 CB TRP A 39 -9.210 0.680 5.051 1.00 0.00 C ATOM 558 CG TRP A 39 -8.896 -0.120 6.280 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.791 -0.632 7.175 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.597 -0.497 6.748 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.127 -1.305 8.172 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.780 -1.238 7.932 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.297 -0.284 6.281 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.711 -1.763 8.654 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.238 -0.806 6.998 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.449 -1.539 8.174 1.00 0.00 C ATOM 0 H TRP A 39 -9.447 -1.404 3.755 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.302 0.199 5.150 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.399 0.562 4.332 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.251 1.737 5.315 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.864 -0.524 7.109 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.566 -1.778 8.962 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.124 0.279 5.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.872 -2.327 9.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.229 -0.647 6.646 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.600 -1.934 8.711 1.00 0.00 H new ATOM 577 N ILE A 40 -10.160 1.501 2.325 1.00 0.00 N ATOM 578 CA ILE A 40 -10.454 2.486 1.291 1.00 0.00 C ATOM 579 C ILE A 40 -11.928 2.452 0.903 1.00 0.00 C ATOM 580 O ILE A 40 -12.571 3.494 0.778 1.00 0.00 O ATOM 581 CB ILE A 40 -9.597 2.254 0.033 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.120 2.506 0.341 1.00 0.00 C ATOM 583 CG2 ILE A 40 -10.068 3.152 -1.101 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.830 3.920 0.793 1.00 0.00 C ATOM 0 H ILE A 40 -9.312 0.958 2.162 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.214 3.464 1.709 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.711 1.216 -0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.795 1.812 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.529 2.289 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.453 2.977 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.109 2.928 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.980 4.196 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.764 4.026 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.124 4.620 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.393 4.134 1.701 1.00 0.00 H new ATOM 596 N GLU A 41 -12.457 1.247 0.716 1.00 0.00 N ATOM 597 CA GLU A 41 -13.857 1.078 0.342 1.00 0.00 C ATOM 598 C GLU A 41 -14.762 1.939 1.219 1.00 0.00 C ATOM 599 O GLU A 41 -15.740 2.515 0.743 1.00 0.00 O ATOM 600 CB GLU A 41 -14.265 -0.393 0.459 1.00 0.00 C ATOM 601 CG GLU A 41 -13.509 -1.311 -0.486 1.00 0.00 C ATOM 602 CD GLU A 41 -13.867 -2.772 -0.291 1.00 0.00 C ATOM 603 OE1 GLU A 41 -13.942 -3.214 0.874 1.00 0.00 O ATOM 604 OE2 GLU A 41 -14.071 -3.472 -1.305 1.00 0.00 O ATOM 0 H GLU A 41 -11.939 0.374 0.817 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.971 1.399 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.102 -0.726 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.333 -0.482 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.723 -1.023 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.438 -1.180 -0.334 1.00 0.00 H new ATOM 611 N LYS A 42 -14.428 2.022 2.502 1.00 0.00 N ATOM 612 CA LYS A 42 -15.208 2.812 3.447 1.00 0.00 C ATOM 613 C LYS A 42 -14.593 4.196 3.636 1.00 0.00 C ATOM 614 O LYS A 42 -14.649 4.768 4.725 1.00 0.00 O ATOM 615 CB LYS A 42 -15.296 2.093 4.795 1.00 0.00 C ATOM 616 CG LYS A 42 -15.914 0.709 4.706 1.00 0.00 C ATOM 617 CD LYS A 42 -15.799 -0.039 6.024 1.00 0.00 C ATOM 618 CE LYS A 42 -17.002 0.217 6.918 1.00 0.00 C ATOM 619 NZ LYS A 42 -16.993 1.596 7.479 1.00 0.00 N ATOM 0 H LYS A 42 -13.621 1.551 2.912 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.212 2.932 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.295 2.008 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.883 2.700 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.964 0.796 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.420 0.139 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.710 -1.108 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.889 0.269 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.918 0.063 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.009 -0.507 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.338 1.574 8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.023 1.971 7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.611 2.207 6.908 1.00 0.00 H new ATOM 633 N LYS A 43 -14.009 4.729 2.569 1.00 0.00 N ATOM 634 CA LYS A 43 -13.386 6.047 2.616 1.00 0.00 C ATOM 635 C LYS A 43 -12.524 6.197 3.865 1.00 0.00 C ATOM 636 O LYS A 43 -12.525 7.246 4.510 1.00 0.00 O ATOM 637 CB LYS A 43 -14.456 7.140 2.587 1.00 0.00 C ATOM 638 CG LYS A 43 -15.369 7.066 1.375 1.00 0.00 C ATOM 639 CD LYS A 43 -16.483 6.053 1.578 1.00 0.00 C ATOM 640 CE LYS A 43 -17.457 6.055 0.409 1.00 0.00 C ATOM 641 NZ LYS A 43 -18.570 7.022 0.616 1.00 0.00 N ATOM 0 H LYS A 43 -13.954 4.269 1.660 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.746 6.151 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.060 7.069 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.968 8.115 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.800 8.048 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.786 6.795 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.054 5.058 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.019 6.279 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.923 6.306 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.866 5.054 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.212 6.993 -0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -19.095 6.768 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.182 7.981 0.718 1.00 0.00 H new ATOM 655 N TYR A 44 -11.788 5.144 4.200 1.00 0.00 N ATOM 656 CA TYR A 44 -10.922 5.158 5.373 1.00 0.00 C ATOM 657 C TYR A 44 -9.489 5.514 4.988 1.00 0.00 C ATOM 658 O TYR A 44 -8.817 4.759 4.284 1.00 0.00 O ATOM 659 CB TYR A 44 -10.951 3.798 6.072 1.00 0.00 C ATOM 660 CG TYR A 44 -12.065 3.662 7.086 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.328 4.676 7.998 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.853 2.519 7.131 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.344 4.556 8.926 1.00 0.00 C ATOM 664 CE2 TYR A 44 -13.872 2.391 8.055 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.114 3.412 8.950 1.00 0.00 C ATOM 666 OH TYR A 44 -15.127 3.287 9.873 1.00 0.00 O ATOM 0 H TYR A 44 -11.773 4.269 3.676 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.295 5.919 6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.057 3.015 5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.995 3.634 6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.728 5.574 7.981 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.666 1.717 6.432 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.534 5.354 9.629 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.476 1.496 8.076 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.573 2.422 9.754 1.00 0.00 H new ATOM 676 N HIS A 45 -9.027 6.669 5.455 1.00 0.00 N ATOM 677 CA HIS A 45 -7.673 7.126 5.161 1.00 0.00 C ATOM 678 C HIS A 45 -6.638 6.155 5.721 1.00 0.00 C ATOM 679 O HIS A 45 -6.434 6.079 6.933 1.00 0.00 O ATOM 680 CB HIS A 45 -7.446 8.522 5.742 1.00 0.00 C ATOM 681 CG HIS A 45 -7.812 9.629 4.802 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.876 10.404 4.151 1.00 0.00 N ATOM 683 CD2 HIS A 45 -9.021 10.089 4.404 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.493 11.293 3.394 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.796 11.123 3.529 1.00 0.00 N ATOM 0 H HIS A 45 -9.570 7.306 6.038 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.557 7.168 4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -8.030 8.625 6.657 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.397 8.625 6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.984 9.713 4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.014 12.033 2.771 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.517 11.671 3.060 1.00 0.00 H new ATOM 694 N VAL A 46 -5.988 5.413 4.830 1.00 0.00 N ATOM 695 CA VAL A 46 -4.974 4.446 5.235 1.00 0.00 C ATOM 696 C VAL A 46 -3.577 5.053 5.166 1.00 0.00 C ATOM 697 O VAL A 46 -3.086 5.382 4.087 1.00 0.00 O ATOM 698 CB VAL A 46 -5.017 3.184 4.353 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.004 2.159 4.838 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.419 2.594 4.337 1.00 0.00 C ATOM 0 H VAL A 46 -6.145 5.463 3.823 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.196 4.168 6.265 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.754 3.465 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.049 1.274 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.003 2.588 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.233 1.879 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.432 1.703 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.713 2.327 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.118 3.329 3.938 1.00 0.00 H new ATOM 710 N GLN A 47 -2.943 5.199 6.325 1.00 0.00 N ATOM 711 CA GLN A 47 -1.602 5.767 6.396 1.00 0.00 C ATOM 712 C GLN A 47 -0.548 4.667 6.458 1.00 0.00 C ATOM 713 O GLN A 47 -0.304 4.086 7.516 1.00 0.00 O ATOM 714 CB GLN A 47 -1.476 6.681 7.616 1.00 0.00 C ATOM 715 CG GLN A 47 -0.094 7.293 7.777 1.00 0.00 C ATOM 716 CD GLN A 47 -0.121 8.602 8.542 1.00 0.00 C ATOM 717 OE1 GLN A 47 0.193 8.646 9.731 1.00 0.00 O ATOM 718 NE2 GLN A 47 -0.497 9.678 7.860 1.00 0.00 N ATOM 0 H GLN A 47 -3.336 4.932 7.227 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.435 6.354 5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.212 7.481 7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.719 6.111 8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.554 6.587 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.342 7.461 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.749 9.595 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.534 10.587 8.321 1.00 0.00 H new ATOM 727 N VAL A 48 0.076 4.386 5.319 1.00 0.00 N ATOM 728 CA VAL A 48 1.105 3.356 5.244 1.00 0.00 C ATOM 729 C VAL A 48 2.482 3.932 5.553 1.00 0.00 C ATOM 730 O VAL A 48 2.821 5.032 5.114 1.00 0.00 O ATOM 731 CB VAL A 48 1.138 2.695 3.853 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.251 1.661 3.779 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.209 2.065 3.532 1.00 0.00 C ATOM 0 H VAL A 48 -0.113 4.858 4.435 1.00 0.00 H new ATOM 0 HA VAL A 48 0.853 2.602 5.990 1.00 0.00 H new ATOM 0 HB VAL A 48 1.341 3.465 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.259 1.205 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.210 2.145 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.083 0.891 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.169 1.602 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.443 1.307 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.982 2.834 3.541 1.00 0.00 H new ATOM 743 N THR A 49 3.275 3.182 6.312 1.00 0.00 N ATOM 744 CA THR A 49 4.616 3.618 6.681 1.00 0.00 C ATOM 745 C THR A 49 5.596 2.450 6.670 1.00 0.00 C ATOM 746 O THR A 49 5.587 1.612 7.573 1.00 0.00 O ATOM 747 CB THR A 49 4.630 4.273 8.075 1.00 0.00 C ATOM 748 OG1 THR A 49 3.648 5.313 8.137 1.00 0.00 O ATOM 749 CG2 THR A 49 6.004 4.846 8.389 1.00 0.00 C ATOM 0 H THR A 49 3.011 2.269 6.683 1.00 0.00 H new ATOM 0 HA THR A 49 4.925 4.354 5.939 1.00 0.00 H new ATOM 0 HB THR A 49 4.395 3.508 8.815 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.662 5.724 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.990 5.303 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.745 4.047 8.369 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.263 5.599 7.645 1.00 0.00 H new ATOM 757 N ILE A 50 6.440 2.400 5.645 1.00 0.00 N ATOM 758 CA ILE A 50 7.427 1.336 5.520 1.00 0.00 C ATOM 759 C ILE A 50 8.674 1.642 6.344 1.00 0.00 C ATOM 760 O ILE A 50 9.264 2.715 6.222 1.00 0.00 O ATOM 761 CB ILE A 50 7.837 1.118 4.051 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.612 0.763 3.205 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.891 0.025 3.952 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.904 0.689 1.723 1.00 0.00 C ATOM 0 H ILE A 50 6.460 3.084 4.889 1.00 0.00 H new ATOM 0 HA ILE A 50 6.959 0.427 5.897 1.00 0.00 H new ATOM 0 HB ILE A 50 8.265 2.044 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.216 -0.197 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.833 1.506 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.170 -0.117 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.771 0.315 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.488 -0.906 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.991 0.433 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.271 1.655 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.660 -0.074 1.539 1.00 0.00 H new ATOM 776 N LYS A 51 9.071 0.690 7.182 1.00 0.00 N ATOM 777 CA LYS A 51 10.249 0.855 8.024 1.00 0.00 C ATOM 778 C LYS A 51 11.473 0.210 7.381 1.00 0.00 C ATOM 779 O LYS A 51 11.428 -0.946 6.960 1.00 0.00 O ATOM 780 CB LYS A 51 10.004 0.243 9.405 1.00 0.00 C ATOM 781 CG LYS A 51 8.790 0.814 10.117 1.00 0.00 C ATOM 782 CD LYS A 51 9.090 2.173 10.728 1.00 0.00 C ATOM 783 CE LYS A 51 7.816 2.962 10.986 1.00 0.00 C ATOM 784 NZ LYS A 51 8.066 4.429 11.004 1.00 0.00 N ATOM 0 H LYS A 51 8.594 -0.204 7.296 1.00 0.00 H new ATOM 0 HA LYS A 51 10.439 1.923 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.879 -0.835 9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.886 0.402 10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.963 0.905 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.468 0.126 10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.633 2.040 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.740 2.738 10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.082 2.728 10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.386 2.655 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.272 4.911 11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.945 4.625 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.156 4.778 10.028 1.00 0.00 H new ATOM 978 N THR A 63 11.458 0.194 -1.842 1.00 0.00 N ATOM 979 CA THR A 63 10.601 0.821 -0.843 1.00 0.00 C ATOM 980 C THR A 63 9.455 1.581 -1.501 1.00 0.00 C ATOM 981 O THR A 63 8.286 1.260 -1.293 1.00 0.00 O ATOM 982 CB THR A 63 11.398 1.789 0.051 1.00 0.00 C ATOM 983 OG1 THR A 63 12.424 1.078 0.752 1.00 0.00 O ATOM 984 CG2 THR A 63 10.481 2.481 1.049 1.00 0.00 C ATOM 0 HA THR A 63 10.194 0.019 -0.226 1.00 0.00 H new ATOM 0 HB THR A 63 11.854 2.546 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.727 0.320 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.065 3.160 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.719 3.046 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.001 1.734 1.681 1.00 0.00 H new ATOM 992 N GLU A 64 9.799 2.589 -2.297 1.00 0.00 N ATOM 993 CA GLU A 64 8.797 3.394 -2.985 1.00 0.00 C ATOM 994 C GLU A 64 7.878 2.515 -3.829 1.00 0.00 C ATOM 995 O GLU A 64 6.661 2.693 -3.829 1.00 0.00 O ATOM 996 CB GLU A 64 9.474 4.441 -3.872 1.00 0.00 C ATOM 997 CG GLU A 64 10.067 5.605 -3.095 1.00 0.00 C ATOM 998 CD GLU A 64 11.494 5.344 -2.653 1.00 0.00 C ATOM 999 OE1 GLU A 64 12.421 5.637 -3.436 1.00 0.00 O ATOM 1000 OE2 GLU A 64 11.682 4.847 -1.522 1.00 0.00 O ATOM 0 H GLU A 64 10.763 2.867 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 64 8.195 3.901 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.264 3.960 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.746 4.825 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.041 6.502 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.450 5.804 -2.219 1.00 0.00 H new ATOM 1007 N GLU A 65 8.472 1.565 -4.546 1.00 0.00 N ATOM 1008 CA GLU A 65 7.707 0.660 -5.395 1.00 0.00 C ATOM 1009 C GLU A 65 6.595 -0.021 -4.601 1.00 0.00 C ATOM 1010 O GLU A 65 5.467 -0.149 -5.078 1.00 0.00 O ATOM 1011 CB GLU A 65 8.627 -0.396 -6.012 1.00 0.00 C ATOM 1012 CG GLU A 65 9.395 0.101 -7.225 1.00 0.00 C ATOM 1013 CD GLU A 65 10.629 -0.731 -7.515 1.00 0.00 C ATOM 1014 OE1 GLU A 65 10.496 -1.771 -8.195 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.726 -0.344 -7.063 1.00 0.00 O ATOM 0 H GLU A 65 9.479 1.403 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 65 7.253 1.248 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.336 -0.734 -5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.031 -1.262 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.740 0.088 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.690 1.138 -7.064 1.00 0.00 H new ATOM 1022 N ILE A 66 6.922 -0.454 -3.388 1.00 0.00 N ATOM 1023 CA ILE A 66 5.951 -1.120 -2.529 1.00 0.00 C ATOM 1024 C ILE A 66 4.562 -0.515 -2.695 1.00 0.00 C ATOM 1025 O ILE A 66 3.596 -1.220 -2.988 1.00 0.00 O ATOM 1026 CB ILE A 66 6.361 -1.036 -1.046 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.720 -1.706 -0.832 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.301 -1.682 -0.166 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.702 -3.200 -1.070 1.00 0.00 C ATOM 0 H ILE A 66 7.851 -0.356 -2.978 1.00 0.00 H new ATOM 0 HA ILE A 66 5.927 -2.166 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 66 6.446 0.014 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.450 -1.249 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.055 -1.513 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.605 -1.615 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.351 -1.165 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.187 -2.730 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.699 -3.608 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.996 -3.669 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.398 -3.401 -2.097 1.00 0.00 H new ATOM 1041 N PHE A 67 4.468 0.798 -2.509 1.00 0.00 N ATOM 1042 CA PHE A 67 3.197 1.500 -2.640 1.00 0.00 C ATOM 1043 C PHE A 67 2.518 1.155 -3.962 1.00 0.00 C ATOM 1044 O PHE A 67 1.385 0.677 -3.985 1.00 0.00 O ATOM 1045 CB PHE A 67 3.412 3.011 -2.543 1.00 0.00 C ATOM 1046 CG PHE A 67 4.057 3.444 -1.257 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.352 3.401 -0.065 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.368 3.893 -1.241 1.00 0.00 C ATOM 1049 CE1 PHE A 67 3.943 3.799 1.119 1.00 0.00 C ATOM 1050 CE2 PHE A 67 5.964 4.292 -0.059 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.251 4.244 1.123 1.00 0.00 C ATOM 0 H PHE A 67 5.257 1.397 -2.267 1.00 0.00 H new ATOM 0 HA PHE A 67 2.548 1.179 -1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.032 3.336 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.450 3.514 -2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.330 3.053 -0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.930 3.932 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.382 3.762 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.986 4.641 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.715 4.554 2.048 1.00 0.00 H new ATOM 1061 N ASN A 68 3.221 1.402 -5.063 1.00 0.00 N ATOM 1062 CA ASN A 68 2.688 1.119 -6.390 1.00 0.00 C ATOM 1063 C ASN A 68 2.219 -0.330 -6.491 1.00 0.00 C ATOM 1064 O ASN A 68 1.133 -0.607 -6.998 1.00 0.00 O ATOM 1065 CB ASN A 68 3.746 1.400 -7.459 1.00 0.00 C ATOM 1066 CG ASN A 68 4.099 2.872 -7.550 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.262 3.701 -7.907 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.344 3.203 -7.227 1.00 0.00 N ATOM 0 H ASN A 68 4.161 1.798 -5.062 1.00 0.00 H new ATOM 0 HA ASN A 68 1.831 1.772 -6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.646 0.827 -7.236 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.381 1.056 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.640 4.178 -7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.004 2.482 -6.936 1.00 0.00 H new ATOM 1075 N GLN A 69 3.047 -1.249 -6.004 1.00 0.00 N ATOM 1076 CA GLN A 69 2.717 -2.669 -6.039 1.00 0.00 C ATOM 1077 C GLN A 69 1.344 -2.924 -5.427 1.00 0.00 C ATOM 1078 O GLN A 69 0.567 -3.731 -5.938 1.00 0.00 O ATOM 1079 CB GLN A 69 3.779 -3.479 -5.294 1.00 0.00 C ATOM 1080 CG GLN A 69 5.200 -3.175 -5.740 1.00 0.00 C ATOM 1081 CD GLN A 69 6.125 -4.368 -5.595 1.00 0.00 C ATOM 1082 OE1 GLN A 69 6.680 -4.611 -4.523 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.296 -5.119 -6.676 1.00 0.00 N ATOM 0 H GLN A 69 3.950 -1.036 -5.581 1.00 0.00 H new ATOM 0 HA GLN A 69 2.694 -2.985 -7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.692 -3.281 -4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.581 -4.541 -5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.189 -2.853 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.591 -2.344 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.816 -4.880 -7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.907 -5.935 -6.639 1.00 0.00 H new ATOM 1092 N ILE A 70 1.051 -2.231 -4.332 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.229 -2.383 -3.651 1.00 0.00 C ATOM 1094 C ILE A 70 -1.343 -1.673 -4.412 1.00 0.00 C ATOM 1095 O ILE A 70 -2.449 -2.199 -4.549 1.00 0.00 O ATOM 1096 CB ILE A 70 -0.172 -1.831 -2.215 1.00 0.00 C ATOM 1097 CG1 ILE A 70 0.931 -2.533 -1.419 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.518 -2.001 -1.528 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.499 -1.688 -0.299 1.00 0.00 C ATOM 0 H ILE A 70 1.683 -1.559 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.441 -3.451 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 70 0.059 -0.767 -2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.533 -3.457 -1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.737 -2.811 -2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.461 -1.606 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.282 -1.460 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.777 -3.059 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.275 -2.249 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.927 -0.775 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.705 -1.431 0.402 1.00 0.00 H new ATOM 1111 N LEU A 71 -1.045 -0.478 -4.908 1.00 0.00 N ATOM 1112 CA LEU A 71 -2.021 0.305 -5.659 1.00 0.00 C ATOM 1113 C LEU A 71 -2.472 -0.442 -6.910 1.00 0.00 C ATOM 1114 O LEU A 71 -3.509 -0.127 -7.492 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.429 1.661 -6.046 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.434 2.748 -6.428 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.852 3.543 -5.201 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.846 3.668 -7.488 1.00 0.00 C ATOM 0 H LEU A 71 -0.135 -0.029 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.890 0.465 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.830 2.025 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.749 1.512 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.320 2.268 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.567 4.312 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.314 2.875 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.975 4.013 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.575 4.436 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.944 4.141 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.598 3.087 -8.376 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.686 -1.434 -7.316 1.00 0.00 N ATOM 1131 CA GLN A 72 -2.005 -2.227 -8.497 1.00 0.00 C ATOM 1132 C GLN A 72 -3.272 -3.047 -8.276 1.00 0.00 C ATOM 1133 O GLN A 72 -3.858 -3.573 -9.223 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.839 -3.153 -8.847 1.00 0.00 C ATOM 1135 CG GLN A 72 0.338 -2.434 -9.485 1.00 0.00 C ATOM 1136 CD GLN A 72 1.588 -3.290 -9.535 1.00 0.00 C ATOM 1137 OE1 GLN A 72 1.517 -4.517 -9.458 1.00 0.00 O ATOM 1138 NE2 GLN A 72 2.743 -2.647 -9.663 1.00 0.00 N ATOM 0 H GLN A 72 -0.824 -1.708 -6.844 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.177 -1.542 -9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.500 -3.655 -7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.193 -3.928 -9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.069 -2.132 -10.497 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.549 -1.523 -8.925 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.756 -1.629 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.617 -3.171 -9.701 1.00 0.00 H new ATOM 1147 N THR A 73 -3.691 -3.154 -7.019 1.00 0.00 N ATOM 1148 CA THR A 73 -4.887 -3.911 -6.673 1.00 0.00 C ATOM 1149 C THR A 73 -6.092 -2.991 -6.509 1.00 0.00 C ATOM 1150 O THR A 73 -7.236 -3.419 -6.656 1.00 0.00 O ATOM 1151 CB THR A 73 -4.688 -4.714 -5.374 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.595 -3.823 -4.257 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.432 -5.568 -5.453 1.00 0.00 C ATOM 0 H THR A 73 -3.219 -2.725 -6.223 1.00 0.00 H new ATOM 0 HA THR A 73 -5.071 -4.603 -7.494 1.00 0.00 H new ATOM 0 HB THR A 73 -5.548 -5.371 -5.244 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.875 -3.177 -4.413 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.312 -6.126 -4.524 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.518 -6.265 -6.287 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.564 -4.926 -5.605 1.00 0.00 H new ATOM 1161 N MET A 74 -5.826 -1.725 -6.203 1.00 0.00 N ATOM 1162 CA MET A 74 -6.890 -0.744 -6.020 1.00 0.00 C ATOM 1163 C MET A 74 -6.641 0.493 -6.877 1.00 0.00 C ATOM 1164 O MET A 74 -6.837 1.628 -6.442 1.00 0.00 O ATOM 1165 CB MET A 74 -6.999 -0.346 -4.547 1.00 0.00 C ATOM 1166 CG MET A 74 -5.653 -0.225 -3.850 1.00 0.00 C ATOM 1167 SD MET A 74 -5.802 -0.208 -2.053 1.00 0.00 S ATOM 1168 CE MET A 74 -4.743 -1.584 -1.613 1.00 0.00 C ATOM 0 H MET A 74 -4.884 -1.355 -6.077 1.00 0.00 H new ATOM 0 HA MET A 74 -7.829 -1.200 -6.335 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.524 0.607 -4.474 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.605 -1.085 -4.023 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.016 -1.057 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.159 0.689 -4.179 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.349 -2.394 -1.207 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.215 -1.935 -2.500 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.020 -1.262 -0.864 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.198 0.272 -8.123 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.913 1.358 -9.066 1.00 0.00 C ATOM 1180 C PRO A 75 -7.180 2.065 -9.536 1.00 0.00 C ATOM 1181 O PRO A 75 -7.118 3.146 -10.121 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.234 0.642 -10.237 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.739 -0.758 -10.169 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.942 -1.055 -8.708 1.00 0.00 C ATOM 0 HA PRO A 75 -5.302 2.140 -8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.489 1.109 -11.188 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.148 0.676 -10.146 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.672 -0.863 -10.722 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.025 -1.452 -10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.780 -1.733 -8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.063 -1.526 -8.268 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.327 1.447 -9.277 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.609 2.018 -9.673 1.00 0.00 C ATOM 1194 C ASP A 76 -10.475 2.310 -8.451 1.00 0.00 C ATOM 1195 O ASP A 76 -11.592 2.811 -8.575 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.345 1.068 -10.619 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.363 -0.359 -10.108 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -11.121 -0.637 -9.155 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -9.620 -1.197 -10.659 1.00 0.00 O ATOM 0 H ASP A 76 -8.395 0.551 -8.795 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.415 2.957 -10.192 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.369 1.416 -10.754 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.868 1.094 -11.599 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.951 1.991 -7.272 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.676 2.219 -6.028 1.00 0.00 C ATOM 1206 C ILE A 77 -9.839 3.029 -5.044 1.00 0.00 C ATOM 1207 O ILE A 77 -10.353 3.543 -4.052 1.00 0.00 O ATOM 1208 CB ILE A 77 -11.085 0.891 -5.364 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.101 1.040 -3.841 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -10.139 -0.225 -5.782 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.496 -0.226 -3.114 1.00 0.00 C ATOM 0 H ILE A 77 -9.028 1.574 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.575 2.780 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 77 -12.090 0.632 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.112 1.349 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.794 1.837 -3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.442 -1.157 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.173 -0.345 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -9.123 0.026 -5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.486 -0.046 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.498 -0.525 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.790 -1.020 -3.356 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.545 3.141 -5.328 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.637 3.892 -4.471 1.00 0.00 C ATOM 1225 C ALA A 78 -6.477 4.471 -5.274 1.00 0.00 C ATOM 1226 O ALA A 78 -5.826 3.763 -6.044 1.00 0.00 O ATOM 1227 CB ALA A 78 -7.115 3.005 -3.350 1.00 0.00 C ATOM 0 H ALA A 78 -8.103 2.721 -6.145 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.192 4.722 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.438 3.579 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.952 2.644 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.581 2.156 -3.777 1.00 0.00 H new ATOM 1233 N THR A 79 -6.223 5.763 -5.091 1.00 0.00 N ATOM 1234 CA THR A 79 -5.143 6.438 -5.800 1.00 0.00 C ATOM 1235 C THR A 79 -4.122 7.014 -4.825 1.00 0.00 C ATOM 1236 O THR A 79 -4.333 7.006 -3.612 1.00 0.00 O ATOM 1237 CB THR A 79 -5.680 7.572 -6.693 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.669 7.984 -7.620 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.120 8.761 -5.853 1.00 0.00 C ATOM 0 H THR A 79 -6.751 6.363 -4.457 1.00 0.00 H new ATOM 0 HA THR A 79 -4.660 5.689 -6.428 1.00 0.00 H new ATOM 0 HB THR A 79 -6.544 7.196 -7.241 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.018 8.704 -8.186 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.495 9.549 -6.506 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.909 8.451 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.271 9.137 -5.282 1.00 0.00 H new ATOM 1247 N PHE A 80 -3.014 7.514 -5.363 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.959 8.094 -4.541 1.00 0.00 C ATOM 1249 C PHE A 80 -2.363 9.476 -4.034 1.00 0.00 C ATOM 1250 O PHE A 80 -2.446 10.432 -4.805 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.657 8.192 -5.338 1.00 0.00 C ATOM 1252 CG PHE A 80 0.231 6.990 -5.185 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.053 6.856 -4.078 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.243 5.994 -6.149 1.00 0.00 C ATOM 1255 CE1 PHE A 80 1.871 5.751 -3.934 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.058 4.886 -6.010 1.00 0.00 C ATOM 1257 CZ PHE A 80 1.874 4.765 -4.902 1.00 0.00 C ATOM 0 H PHE A 80 -2.824 7.529 -6.365 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.802 7.442 -3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.895 8.326 -6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.111 9.080 -5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.055 7.624 -3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.391 6.085 -7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.507 5.658 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.057 4.116 -6.767 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.513 3.901 -4.793 1.00 0.00 H new ATOM 1267 N SER A 81 -2.613 9.572 -2.732 1.00 0.00 N ATOM 1268 CA SER A 81 -3.012 10.835 -2.122 1.00 0.00 C ATOM 1269 C SER A 81 -1.793 11.701 -1.819 1.00 0.00 C ATOM 1270 O SER A 81 -1.703 12.843 -2.269 1.00 0.00 O ATOM 1271 CB SER A 81 -3.801 10.577 -0.836 1.00 0.00 C ATOM 1272 OG SER A 81 -3.233 9.513 -0.094 1.00 0.00 O ATOM 0 H SER A 81 -2.546 8.791 -2.080 1.00 0.00 H new ATOM 0 HA SER A 81 -3.647 11.368 -2.830 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.816 11.481 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.836 10.341 -1.082 1.00 0.00 H new ATOM 0 HG SER A 81 -3.268 8.689 -0.624 1.00 0.00 H new ATOM 1278 N SER A 82 -0.858 11.149 -1.052 1.00 0.00 N ATOM 1279 CA SER A 82 0.354 11.871 -0.685 1.00 0.00 C ATOM 1280 C SER A 82 1.597 11.114 -1.142 1.00 0.00 C ATOM 1281 O SER A 82 2.040 10.172 -0.485 1.00 0.00 O ATOM 1282 CB SER A 82 0.404 12.090 0.828 1.00 0.00 C ATOM 1283 OG SER A 82 1.265 13.166 1.160 1.00 0.00 O ATOM 0 H SER A 82 -0.917 10.204 -0.673 1.00 0.00 H new ATOM 0 HA SER A 82 0.336 12.839 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.599 12.294 1.202 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.748 11.180 1.319 1.00 0.00 H new ATOM 0 HG SER A 82 1.278 13.286 2.132 1.00 0.00 H new ATOM 1289 N ARG A 83 2.155 11.533 -2.274 1.00 0.00 N ATOM 1290 CA ARG A 83 3.346 10.895 -2.821 1.00 0.00 C ATOM 1291 C ARG A 83 4.270 10.420 -1.703 1.00 0.00 C ATOM 1292 O ARG A 83 4.515 11.126 -0.725 1.00 0.00 O ATOM 1293 CB ARG A 83 4.093 11.863 -3.739 1.00 0.00 C ATOM 1294 CG ARG A 83 3.470 11.999 -5.118 1.00 0.00 C ATOM 1295 CD ARG A 83 4.019 10.960 -6.083 1.00 0.00 C ATOM 1296 NE ARG A 83 3.154 10.781 -7.246 1.00 0.00 N ATOM 1297 CZ ARG A 83 3.239 9.745 -8.072 1.00 0.00 C ATOM 1298 NH1 ARG A 83 4.146 8.800 -7.865 1.00 0.00 N ATOM 1299 NH2 ARG A 83 2.416 9.652 -9.109 1.00 0.00 N ATOM 0 H ARG A 83 1.801 12.312 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 83 3.030 10.028 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.127 12.845 -3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.124 11.525 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.388 11.890 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.663 12.998 -5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.013 11.262 -6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.131 10.008 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 83 2.446 11.491 -7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.781 8.868 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.209 8.005 -8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.717 10.377 -9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.482 8.856 -9.743 1.00 0.00 H new ATOM 1313 N PRO A 84 4.796 9.195 -1.850 1.00 0.00 N ATOM 1314 CA PRO A 84 5.701 8.599 -0.863 1.00 0.00 C ATOM 1315 C PRO A 84 7.062 9.286 -0.835 1.00 0.00 C ATOM 1316 O PRO A 84 7.895 9.072 -1.715 1.00 0.00 O ATOM 1317 CB PRO A 84 5.842 7.151 -1.341 1.00 0.00 C ATOM 1318 CG PRO A 84 5.564 7.206 -2.803 1.00 0.00 C ATOM 1319 CD PRO A 84 4.547 8.298 -2.991 1.00 0.00 C ATOM 0 HA PRO A 84 5.316 8.692 0.152 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.841 6.764 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.139 6.495 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.473 7.419 -3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.182 6.251 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.680 8.812 -3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.530 7.906 -2.980 1.00 0.00 H new ATOM 1327 N LYS A 85 7.281 10.113 0.182 1.00 0.00 N ATOM 1328 CA LYS A 85 8.542 10.831 0.326 1.00 0.00 C ATOM 1329 C LYS A 85 9.261 10.416 1.606 1.00 0.00 C ATOM 1330 O LYS A 85 8.652 9.858 2.518 1.00 0.00 O ATOM 1331 CB LYS A 85 8.294 12.341 0.335 1.00 0.00 C ATOM 1332 CG LYS A 85 7.699 12.852 1.635 1.00 0.00 C ATOM 1333 CD LYS A 85 6.183 12.744 1.635 1.00 0.00 C ATOM 1334 CE LYS A 85 5.560 13.645 2.690 1.00 0.00 C ATOM 1335 NZ LYS A 85 5.292 15.012 2.163 1.00 0.00 N ATOM 0 H LYS A 85 6.601 10.303 0.919 1.00 0.00 H new ATOM 0 HA LYS A 85 9.175 10.578 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.236 12.857 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.624 12.596 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.105 12.282 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.991 13.891 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.798 13.014 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.891 11.710 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.628 13.202 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.226 13.711 3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.868 15.596 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.185 15.445 1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.636 14.951 1.358 1.00 0.00 H new ATOM 1349 N ALA A 86 10.559 10.693 1.666 1.00 0.00 N ATOM 1350 CA ALA A 86 11.360 10.351 2.835 1.00 0.00 C ATOM 1351 C ALA A 86 10.937 11.172 4.049 1.00 0.00 C ATOM 1352 O ALA A 86 10.785 12.391 3.963 1.00 0.00 O ATOM 1353 CB ALA A 86 12.838 10.561 2.543 1.00 0.00 C ATOM 0 H ALA A 86 11.079 11.153 0.919 1.00 0.00 H new ATOM 0 HA ALA A 86 11.193 9.299 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.424 10.302 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.138 9.927 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.013 11.606 2.286 1.00 0.00 H new ATOM 1359 N ILE A 87 10.748 10.496 5.178 1.00 0.00 N ATOM 1360 CA ILE A 87 10.343 11.164 6.408 1.00 0.00 C ATOM 1361 C ILE A 87 11.224 10.740 7.579 1.00 0.00 C ATOM 1362 O ILE A 87 11.895 9.710 7.523 1.00 0.00 O ATOM 1363 CB ILE A 87 8.872 10.866 6.753 1.00 0.00 C ATOM 1364 CG1 ILE A 87 8.673 9.366 6.982 1.00 0.00 C ATOM 1365 CG2 ILE A 87 7.957 11.364 5.645 1.00 0.00 C ATOM 1366 CD1 ILE A 87 7.570 9.046 7.965 1.00 0.00 C ATOM 0 H ILE A 87 10.869 9.487 5.266 1.00 0.00 H new ATOM 0 HA ILE A 87 10.458 12.235 6.238 1.00 0.00 H new ATOM 0 HB ILE A 87 8.616 11.392 7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.449 8.888 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.607 8.935 7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.921 11.146 5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.083 12.440 5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.211 10.863 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.486 7.965 8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.802 9.495 8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.626 9.447 7.596 1.00 0.00 H new ATOM 1378 N ARG A 88 11.215 11.542 8.639 1.00 0.00 N ATOM 1379 CA ARG A 88 12.013 11.250 9.824 1.00 0.00 C ATOM 1380 C ARG A 88 13.495 11.162 9.474 1.00 0.00 C ATOM 1381 O ARG A 88 14.207 10.284 9.959 1.00 0.00 O ATOM 1382 CB ARG A 88 11.551 9.940 10.466 1.00 0.00 C ATOM 1383 CG ARG A 88 10.093 9.953 10.895 1.00 0.00 C ATOM 1384 CD ARG A 88 9.580 8.548 11.170 1.00 0.00 C ATOM 1385 NE ARG A 88 9.983 8.066 12.488 1.00 0.00 N ATOM 1386 CZ ARG A 88 9.330 7.123 13.157 1.00 0.00 C ATOM 1387 NH1 ARG A 88 8.248 6.563 12.634 1.00 0.00 N ATOM 1388 NH2 ARG A 88 9.759 6.738 14.353 1.00 0.00 N ATOM 0 H ARG A 88 10.664 12.398 8.701 1.00 0.00 H new ATOM 0 HA ARG A 88 11.873 12.065 10.535 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.706 9.125 9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.175 9.731 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.982 10.564 11.791 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.488 10.416 10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.492 8.539 11.098 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.956 7.869 10.405 1.00 0.00 H new ATOM 0 HE ARG A 88 10.812 8.476 12.919 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.915 6.856 11.715 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.748 5.839 13.150 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.591 7.167 14.759 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.257 6.014 14.866 1.00 0.00 H new ATOM 1402 N GLY A 89 13.953 12.078 8.626 1.00 0.00 N ATOM 1403 CA GLY A 89 15.348 12.086 8.225 1.00 0.00 C ATOM 1404 C GLY A 89 15.662 11.015 7.199 1.00 0.00 C ATOM 1405 O GLY A 89 16.584 10.222 7.381 1.00 0.00 O ATOM 0 H GLY A 89 13.383 12.814 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.599 13.064 7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.976 11.939 9.103 1.00 0.00 H new ATOM 1409 N GLY A 90 14.890 10.991 6.116 1.00 0.00 N ATOM 1410 CA GLY A 90 15.106 10.004 5.074 1.00 0.00 C ATOM 1411 C GLY A 90 15.474 8.644 5.631 1.00 0.00 C ATOM 1412 O GLY A 90 16.542 8.109 5.330 1.00 0.00 O ATOM 0 H GLY A 90 14.120 11.637 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.203 9.914 4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.899 10.348 4.411 1.00 0.00 H new ATOM 1416 N THR A 91 14.589 8.081 6.447 1.00 0.00 N ATOM 1417 CA THR A 91 14.828 6.776 7.050 1.00 0.00 C ATOM 1418 C THR A 91 13.681 5.816 6.756 1.00 0.00 C ATOM 1419 O THR A 91 13.851 4.598 6.802 1.00 0.00 O ATOM 1420 CB THR A 91 15.010 6.886 8.576 1.00 0.00 C ATOM 1421 OG1 THR A 91 15.380 5.614 9.119 1.00 0.00 O ATOM 1422 CG2 THR A 91 13.731 7.374 9.240 1.00 0.00 C ATOM 0 H THR A 91 13.700 8.509 6.706 1.00 0.00 H new ATOM 0 HA THR A 91 15.746 6.388 6.609 1.00 0.00 H new ATOM 0 HB THR A 91 15.802 7.609 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.495 5.693 10.089 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.884 7.444 10.317 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.469 8.356 8.846 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.923 6.672 9.033 1.00 0.00 H new ATOM 1430 N ALA A 92 12.513 6.372 6.452 1.00 0.00 N ATOM 1431 CA ALA A 92 11.338 5.565 6.147 1.00 0.00 C ATOM 1432 C ALA A 92 10.408 6.291 5.181 1.00 0.00 C ATOM 1433 O ALA A 92 10.337 7.520 5.178 1.00 0.00 O ATOM 1434 CB ALA A 92 10.597 5.206 7.426 1.00 0.00 C ATOM 0 H ALA A 92 12.355 7.379 6.410 1.00 0.00 H new ATOM 0 HA ALA A 92 11.675 4.647 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.722 4.603 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.257 4.639 8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.280 6.118 7.931 1.00 0.00 H new ATOM 1440 N SER A 93 9.697 5.524 4.361 1.00 0.00 N ATOM 1441 CA SER A 93 8.775 6.096 3.387 1.00 0.00 C ATOM 1442 C SER A 93 7.337 6.025 3.893 1.00 0.00 C ATOM 1443 O SER A 93 6.906 5.004 4.427 1.00 0.00 O ATOM 1444 CB SER A 93 8.893 5.362 2.049 1.00 0.00 C ATOM 1445 OG SER A 93 8.446 4.022 2.161 1.00 0.00 O ATOM 0 H SER A 93 9.742 4.505 4.352 1.00 0.00 H new ATOM 0 HA SER A 93 9.041 7.143 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.306 5.882 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.930 5.376 1.713 1.00 0.00 H new ATOM 0 HG SER A 93 7.600 3.918 1.677 1.00 0.00 H new ATOM 1451 N MET A 94 6.602 7.118 3.721 1.00 0.00 N ATOM 1452 CA MET A 94 5.212 7.181 4.159 1.00 0.00 C ATOM 1453 C MET A 94 4.311 7.688 3.038 1.00 0.00 C ATOM 1454 O MET A 94 4.699 8.564 2.265 1.00 0.00 O ATOM 1455 CB MET A 94 5.082 8.088 5.384 1.00 0.00 C ATOM 1456 CG MET A 94 3.837 7.814 6.213 1.00 0.00 C ATOM 1457 SD MET A 94 2.327 8.374 5.404 1.00 0.00 S ATOM 1458 CE MET A 94 2.562 10.150 5.439 1.00 0.00 C ATOM 0 H MET A 94 6.945 7.972 3.282 1.00 0.00 H new ATOM 0 HA MET A 94 4.895 6.173 4.427 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.963 7.963 6.014 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.069 9.128 5.057 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.764 6.744 6.409 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.932 8.310 7.179 1.00 0.00 H new ATOM 0 HE1 MET A 94 1.594 10.647 5.366 1.00 0.00 H new ATOM 0 HE2 MET A 94 3.047 10.435 6.373 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.188 10.451 4.599 1.00 0.00 H new ATOM 1468 N CYS A 95 3.107 7.132 2.955 1.00 0.00 N ATOM 1469 CA CYS A 95 2.151 7.527 1.927 1.00 0.00 C ATOM 1470 C CYS A 95 0.737 7.099 2.306 1.00 0.00 C ATOM 1471 O CYS A 95 0.537 6.044 2.909 1.00 0.00 O ATOM 1472 CB CYS A 95 2.538 6.917 0.579 1.00 0.00 C ATOM 1473 SG CYS A 95 1.374 7.278 -0.756 1.00 0.00 S ATOM 0 H CYS A 95 2.770 6.406 3.588 1.00 0.00 H new ATOM 0 HA CYS A 95 2.172 8.614 1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.524 7.284 0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.621 5.836 0.692 1.00 0.00 H new ATOM 0 HG CYS A 95 1.353 8.559 -0.979 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.241 7.924 1.949 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.637 7.632 2.252 1.00 0.00 C ATOM 1481 C VAL A 96 -2.382 7.160 1.008 1.00 0.00 C ATOM 1482 O VAL A 96 -1.954 7.413 -0.119 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.356 8.864 2.831 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.794 8.523 3.193 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.606 9.398 4.042 1.00 0.00 C ATOM 0 H VAL A 96 -0.093 8.801 1.449 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.639 6.837 2.997 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.373 9.644 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.286 9.406 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.325 8.191 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.803 7.727 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.128 10.269 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.556 8.625 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.596 9.684 3.748 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.501 6.475 1.219 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.306 5.967 0.114 1.00 0.00 C ATOM 1497 C PHE A 97 -5.736 6.494 0.197 1.00 0.00 C ATOM 1498 O PHE A 97 -6.434 6.273 1.187 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.313 4.437 0.121 1.00 0.00 C ATOM 1500 CG PHE A 97 -3.033 3.829 -0.375 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.976 3.603 0.492 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.885 3.485 -1.709 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.796 3.044 0.038 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.708 2.926 -2.169 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.663 2.704 -1.294 1.00 0.00 C ATOM 0 H PHE A 97 -3.871 6.259 2.145 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.861 6.317 -0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.503 4.087 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.138 4.083 -0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.075 3.867 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.699 3.656 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.021 2.873 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.605 2.663 -3.211 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.257 2.265 -1.651 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.165 7.192 -0.850 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.510 7.752 -0.896 1.00 0.00 C ATOM 1517 C ARG A 98 -8.226 7.342 -2.179 1.00 0.00 C ATOM 1518 O ARG A 98 -7.624 7.298 -3.252 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.454 9.277 -0.796 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.219 9.967 -2.130 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.311 11.479 -1.999 1.00 0.00 C ATOM 1522 NE ARG A 98 -6.946 12.159 -3.239 1.00 0.00 N ATOM 1523 CZ ARG A 98 -6.940 13.480 -3.379 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -7.276 14.259 -2.360 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -6.596 14.024 -4.539 1.00 0.00 N ATOM 0 H ARG A 98 -5.600 7.383 -1.678 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.069 7.359 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.389 9.639 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.659 9.558 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.236 9.693 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.954 9.618 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.327 11.757 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.655 11.814 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.681 11.588 -4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.540 13.844 -1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.271 15.273 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.336 13.428 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.592 15.038 -4.645 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.515 7.040 -2.060 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.314 6.633 -3.211 1.00 0.00 C ATOM 1541 C HIS A 99 -10.307 7.715 -4.287 1.00 0.00 C ATOM 1542 O HIS A 99 -10.463 8.900 -3.992 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.751 6.335 -2.781 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.533 5.565 -3.800 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -12.881 6.082 -5.030 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.034 4.308 -3.767 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -13.564 5.177 -5.708 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -13.670 4.091 -4.964 1.00 0.00 N ATOM 0 H HIS A 99 -10.028 7.069 -1.179 1.00 0.00 H new ATOM 0 HA HIS A 99 -9.872 5.728 -3.627 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.733 5.772 -1.848 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.263 7.275 -2.577 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.949 3.606 -2.951 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -13.967 5.304 -6.702 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.147 3.231 -5.235 1.00 0.00 H new