USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 811 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 98 TYR OH : rot 53:sc= -2.06! USER MOD Set 1.2: A 100 MET CE :methyl 152:sc= -4.03! (180deg=-2.53) USER MOD Set 2.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 LYS NZ :NH3+ 141:sc= -0.32 (180deg=-1.77!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.25! C(o=-2.3!,f=-6.9!) USER MOD Single : A 38 ASN : amide:sc= -3.13! C(o=-3.1!,f=-7.3!) USER MOD Single : A 41 GLN : amide:sc= -10.5! C(o=-10!,f=-7.4!) USER MOD Single : A 42 TYR OH : rot -87:sc= -1.91! USER MOD Single : A 43 ASN : amide:sc= -9.65! C(o=-9.6!,f=-12!) USER MOD Single : A 50 THR OG1 : rot -64:sc= -2.18! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.06 K(o=-1.1,f=-4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 177:sc= -0.677 USER MOD Single : A 70 THR OG1 : rot -72:sc= 0.491 USER MOD Single : A 72 SER OG : rot 60:sc= 0.675 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.1) USER MOD Single : A 89 ASN : amide:sc= -2.06 K(o=-2.1,f=-8.2!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 91 MET CE :methyl 176:sc= 0 (180deg=-0.0129) USER MOD Single : A 94 TYR OH : rot 155:sc= 0.654 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.7!) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 103 THR OG1 : rot 170:sc= 0.0538 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.042) USER MOD Single : A 109 MET CE :methyl 148:sc= -6.51! (180deg=-7.18!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 155:sc= 0.0446 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -3.04! USER MOD Single : A 123 LYS NZ :NH3+ -178:sc= -0.22 (180deg=-0.279) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 12.712 4.235 2.235 1.00 0.00 N ATOM 132 CA ASP A 10 12.374 5.380 1.348 1.00 0.00 C ATOM 133 C ASP A 10 11.760 4.794 0.078 1.00 0.00 C ATOM 134 O ASP A 10 12.393 4.725 -0.958 1.00 0.00 O ATOM 135 CB ASP A 10 13.646 6.162 1.005 1.00 0.00 C ATOM 136 CG ASP A 10 13.520 7.595 1.525 1.00 0.00 C ATOM 137 OD1 ASP A 10 12.426 8.132 1.463 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.519 8.130 1.978 1.00 0.00 O ATOM 0 HA ASP A 10 11.678 6.063 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.515 5.677 1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.802 6.168 -0.074 1.00 0.00 H new ATOM 143 N ILE A 11 10.540 4.336 0.161 1.00 0.00 N ATOM 144 CA ILE A 11 9.893 3.716 -1.018 1.00 0.00 C ATOM 145 C ILE A 11 9.478 4.779 -2.013 1.00 0.00 C ATOM 146 O ILE A 11 9.841 4.720 -3.154 1.00 0.00 O ATOM 147 CB ILE A 11 8.642 2.955 -0.604 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.793 2.320 0.776 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.358 1.855 -1.611 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.061 1.470 0.797 1.00 0.00 C ATOM 0 H ILE A 11 9.965 4.368 1.003 1.00 0.00 H new ATOM 0 HA ILE A 11 10.616 3.036 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 11 7.821 3.671 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.846 3.093 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.923 1.704 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.462 1.311 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.205 2.295 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.204 1.168 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.176 1.013 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.988 0.689 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.925 2.100 0.587 1.00 0.00 H new ATOM 162 N GLU A 12 8.672 5.717 -1.594 1.00 0.00 N ATOM 163 CA GLU A 12 8.164 6.774 -2.527 1.00 0.00 C ATOM 164 C GLU A 12 9.224 7.190 -3.561 1.00 0.00 C ATOM 165 O GLU A 12 8.904 7.508 -4.689 1.00 0.00 O ATOM 166 CB GLU A 12 7.729 7.998 -1.725 1.00 0.00 C ATOM 167 CG GLU A 12 7.087 9.021 -2.664 1.00 0.00 C ATOM 168 CD GLU A 12 7.551 10.426 -2.279 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.635 10.804 -2.689 1.00 0.00 O ATOM 170 OE2 GLU A 12 6.814 11.099 -1.577 1.00 0.00 O ATOM 0 H GLU A 12 8.338 5.800 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 12 7.316 6.356 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.021 7.705 -0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.588 8.440 -1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.362 8.806 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.001 8.955 -2.603 1.00 0.00 H new ATOM 177 N ASN A 13 10.476 7.174 -3.199 1.00 0.00 N ATOM 178 CA ASN A 13 11.533 7.550 -4.184 1.00 0.00 C ATOM 179 C ASN A 13 11.883 6.310 -5.011 1.00 0.00 C ATOM 180 O ASN A 13 12.017 6.365 -6.217 1.00 0.00 O ATOM 181 CB ASN A 13 12.773 8.050 -3.441 1.00 0.00 C ATOM 182 CG ASN A 13 12.797 9.579 -3.469 1.00 0.00 C ATOM 183 OD1 ASN A 13 11.811 10.219 -3.164 1.00 0.00 O ATOM 184 ND2 ASN A 13 13.890 10.197 -3.826 1.00 0.00 N ATOM 0 H ASN A 13 10.814 6.919 -2.271 1.00 0.00 H new ATOM 0 HA ASN A 13 11.175 8.345 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.762 7.694 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.675 7.652 -3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.915 11.216 -3.849 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.719 9.660 -4.082 1.00 0.00 H new ATOM 191 N THR A 14 12.010 5.190 -4.358 1.00 0.00 N ATOM 192 CA THR A 14 12.331 3.918 -5.066 1.00 0.00 C ATOM 193 C THR A 14 11.129 3.470 -5.912 1.00 0.00 C ATOM 194 O THR A 14 11.223 2.530 -6.672 1.00 0.00 O ATOM 195 CB THR A 14 12.643 2.845 -4.001 1.00 0.00 C ATOM 196 OG1 THR A 14 13.958 3.044 -3.506 1.00 0.00 O ATOM 197 CG2 THR A 14 12.534 1.433 -4.593 1.00 0.00 C ATOM 0 H THR A 14 11.903 5.100 -3.348 1.00 0.00 H new ATOM 0 HA THR A 14 13.186 4.061 -5.726 1.00 0.00 H new ATOM 0 HB THR A 14 11.917 2.939 -3.193 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.159 2.365 -2.828 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.759 0.697 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.522 1.272 -4.965 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.244 1.327 -5.414 1.00 0.00 H new ATOM 205 N LEU A 15 10.008 4.114 -5.781 1.00 0.00 N ATOM 206 CA LEU A 15 8.821 3.698 -6.571 1.00 0.00 C ATOM 207 C LEU A 15 8.715 4.572 -7.821 1.00 0.00 C ATOM 208 O LEU A 15 8.110 4.194 -8.805 1.00 0.00 O ATOM 209 CB LEU A 15 7.563 3.843 -5.705 1.00 0.00 C ATOM 210 CG LEU A 15 7.744 3.068 -4.400 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.772 3.587 -3.336 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.463 1.591 -4.636 1.00 0.00 C ATOM 0 H LEU A 15 9.862 4.911 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 15 8.920 2.657 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.376 4.895 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.693 3.468 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 15 8.769 3.204 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.911 3.027 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.964 4.644 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.748 3.460 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.593 1.042 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.439 1.467 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.155 1.204 -5.384 1.00 0.00 H new ATOM 224 N ALA A 16 9.308 5.734 -7.794 1.00 0.00 N ATOM 225 CA ALA A 16 9.254 6.624 -8.984 1.00 0.00 C ATOM 226 C ALA A 16 10.200 6.076 -10.051 1.00 0.00 C ATOM 227 O ALA A 16 9.968 6.218 -11.235 1.00 0.00 O ATOM 228 CB ALA A 16 9.689 8.035 -8.587 1.00 0.00 C ATOM 0 H ALA A 16 9.827 6.104 -6.998 1.00 0.00 H new ATOM 0 HA ALA A 16 8.237 6.661 -9.375 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.649 8.687 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.020 8.419 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.708 8.007 -8.201 1.00 0.00 H new ATOM 340 N ASP A 24 9.897 -5.318 -5.312 1.00 0.00 N ATOM 341 CA ASP A 24 9.205 -6.631 -5.481 1.00 0.00 C ATOM 342 C ASP A 24 9.666 -7.588 -4.380 1.00 0.00 C ATOM 343 O ASP A 24 8.887 -8.344 -3.835 1.00 0.00 O ATOM 344 CB ASP A 24 9.545 -7.230 -6.848 1.00 0.00 C ATOM 345 CG ASP A 24 8.287 -7.266 -7.718 1.00 0.00 C ATOM 346 OD1 ASP A 24 7.989 -6.258 -8.337 1.00 0.00 O ATOM 347 OD2 ASP A 24 7.644 -8.303 -7.751 1.00 0.00 O ATOM 0 HA ASP A 24 8.127 -6.480 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.319 -6.636 -7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.945 -8.237 -6.726 1.00 0.00 H new ATOM 352 N GLY A 25 10.929 -7.559 -4.047 1.00 0.00 N ATOM 353 CA GLY A 25 11.442 -8.464 -2.980 1.00 0.00 C ATOM 354 C GLY A 25 11.416 -7.736 -1.634 1.00 0.00 C ATOM 355 O GLY A 25 12.151 -8.065 -0.725 1.00 0.00 O ATOM 0 H GLY A 25 11.627 -6.947 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.832 -9.366 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.458 -8.780 -3.215 1.00 0.00 H new ATOM 359 N LEU A 26 10.566 -6.755 -1.498 1.00 0.00 N ATOM 360 CA LEU A 26 10.472 -6.013 -0.227 1.00 0.00 C ATOM 361 C LEU A 26 9.697 -6.863 0.771 1.00 0.00 C ATOM 362 O LEU A 26 8.908 -7.715 0.413 1.00 0.00 O ATOM 363 CB LEU A 26 9.708 -4.700 -0.455 1.00 0.00 C ATOM 364 CG LEU A 26 10.662 -3.604 -0.938 1.00 0.00 C ATOM 365 CD1 LEU A 26 10.735 -3.626 -2.464 1.00 0.00 C ATOM 366 CD2 LEU A 26 10.139 -2.235 -0.485 1.00 0.00 C ATOM 0 H LEU A 26 9.928 -6.438 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 26 11.471 -5.794 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.919 -4.854 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.224 -4.388 0.471 1.00 0.00 H new ATOM 0 HG LEU A 26 11.653 -3.779 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.414 -2.846 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.101 -4.597 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.742 -3.451 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.818 -1.454 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.148 -2.066 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.079 -2.210 0.603 1.00 0.00 H new ATOM 378 N ALA A 27 9.897 -6.607 2.020 1.00 0.00 N ATOM 379 CA ALA A 27 9.154 -7.359 3.076 1.00 0.00 C ATOM 380 C ALA A 27 7.830 -6.636 3.362 1.00 0.00 C ATOM 381 O ALA A 27 7.150 -6.907 4.339 1.00 0.00 O ATOM 382 CB ALA A 27 9.992 -7.411 4.355 1.00 0.00 C ATOM 0 H ALA A 27 10.548 -5.904 2.369 1.00 0.00 H new ATOM 0 HA ALA A 27 8.957 -8.375 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.448 -7.960 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.937 -7.913 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.188 -6.397 4.703 1.00 0.00 H new ATOM 388 N PHE A 28 7.466 -5.708 2.514 1.00 0.00 N ATOM 389 CA PHE A 28 6.214 -4.950 2.704 1.00 0.00 C ATOM 390 C PHE A 28 5.753 -4.472 1.339 1.00 0.00 C ATOM 391 O PHE A 28 6.389 -3.660 0.697 1.00 0.00 O ATOM 392 CB PHE A 28 6.446 -3.749 3.629 1.00 0.00 C ATOM 393 CG PHE A 28 7.630 -2.937 3.162 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.911 -3.510 3.141 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.454 -1.609 2.758 1.00 0.00 C ATOM 396 CE1 PHE A 28 10.007 -2.764 2.707 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.553 -0.867 2.324 1.00 0.00 C ATOM 398 CZ PHE A 28 9.828 -1.447 2.292 1.00 0.00 C ATOM 0 H PHE A 28 8.001 -5.446 1.686 1.00 0.00 H new ATOM 0 HA PHE A 28 5.458 -5.585 3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.554 -3.122 3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.616 -4.096 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.049 -4.532 3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.472 -1.160 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.992 -3.207 2.693 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.420 0.158 2.012 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.673 -0.872 1.945 1.00 0.00 H new ATOM 408 N GLY A 29 4.661 -4.993 0.887 1.00 0.00 N ATOM 409 CA GLY A 29 4.138 -4.613 -0.450 1.00 0.00 C ATOM 410 C GLY A 29 4.096 -3.095 -0.590 1.00 0.00 C ATOM 411 O GLY A 29 4.066 -2.376 0.386 1.00 0.00 O ATOM 0 H GLY A 29 4.096 -5.677 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.769 -5.040 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.139 -5.026 -0.588 1.00 0.00 H new ATOM 415 N ALA A 30 4.070 -2.603 -1.798 1.00 0.00 N ATOM 416 CA ALA A 30 3.999 -1.131 -1.987 1.00 0.00 C ATOM 417 C ALA A 30 2.951 -0.844 -3.062 1.00 0.00 C ATOM 418 O ALA A 30 3.105 -1.231 -4.203 1.00 0.00 O ATOM 419 CB ALA A 30 5.365 -0.566 -2.408 1.00 0.00 C ATOM 0 H ALA A 30 4.095 -3.154 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 30 3.722 -0.650 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.287 0.513 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.103 -0.785 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.675 -1.025 -3.347 1.00 0.00 H new ATOM 425 N ILE A 31 1.871 -0.197 -2.705 1.00 0.00 N ATOM 426 CA ILE A 31 0.808 0.074 -3.717 1.00 0.00 C ATOM 427 C ILE A 31 0.632 1.579 -3.924 1.00 0.00 C ATOM 428 O ILE A 31 0.967 2.379 -3.079 1.00 0.00 O ATOM 429 CB ILE A 31 -0.519 -0.550 -3.250 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.136 0.261 -2.107 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.257 -1.960 -2.741 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.005 1.379 -2.686 1.00 0.00 C ATOM 0 H ILE A 31 1.681 0.152 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 31 1.105 -0.371 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.206 -0.559 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.737 -0.388 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.350 0.684 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.194 -2.407 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.168 -2.563 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.443 -1.921 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.444 1.957 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.391 2.033 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.799 0.945 -3.293 1.00 0.00 H new ATOM 444 N GLN A 32 0.082 1.959 -5.041 1.00 0.00 N ATOM 445 CA GLN A 32 -0.151 3.400 -5.314 1.00 0.00 C ATOM 446 C GLN A 32 -1.625 3.584 -5.659 1.00 0.00 C ATOM 447 O GLN A 32 -2.346 2.624 -5.846 1.00 0.00 O ATOM 448 CB GLN A 32 0.712 3.853 -6.490 1.00 0.00 C ATOM 449 CG GLN A 32 2.181 3.903 -6.065 1.00 0.00 C ATOM 450 CD GLN A 32 2.510 5.292 -5.518 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.625 6.082 -5.253 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.759 5.627 -5.339 1.00 0.00 N ATOM 0 H GLN A 32 -0.218 1.326 -5.782 1.00 0.00 H new ATOM 0 HA GLN A 32 0.112 3.995 -4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.589 3.167 -7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.389 4.836 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.376 3.146 -5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.824 3.674 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.502 4.964 -5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.992 6.552 -4.977 1.00 0.00 H new ATOM 461 N LEU A 33 -2.082 4.798 -5.746 1.00 0.00 N ATOM 462 CA LEU A 33 -3.514 5.023 -6.075 1.00 0.00 C ATOM 463 C LEU A 33 -3.683 6.425 -6.662 1.00 0.00 C ATOM 464 O LEU A 33 -2.989 7.349 -6.284 1.00 0.00 O ATOM 465 CB LEU A 33 -4.361 4.941 -4.797 1.00 0.00 C ATOM 466 CG LEU A 33 -4.380 3.512 -4.247 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.197 3.478 -2.955 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.022 2.572 -5.271 1.00 0.00 C ATOM 0 H LEU A 33 -1.528 5.643 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.835 4.264 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.959 5.620 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.379 5.267 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.358 3.189 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.212 2.462 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.745 4.145 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.217 3.803 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.033 1.556 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.044 2.895 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.447 2.595 -6.196 1.00 0.00 H new ATOM 480 N ASP A 34 -4.610 6.604 -7.561 1.00 0.00 N ATOM 481 CA ASP A 34 -4.820 7.962 -8.132 1.00 0.00 C ATOM 482 C ASP A 34 -6.291 8.365 -7.992 1.00 0.00 C ATOM 483 O ASP A 34 -7.176 7.662 -8.423 1.00 0.00 O ATOM 484 CB ASP A 34 -4.431 7.991 -9.608 1.00 0.00 C ATOM 485 CG ASP A 34 -2.948 8.351 -9.751 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.327 8.647 -8.744 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.461 8.327 -10.870 1.00 0.00 O ATOM 0 H ASP A 34 -5.226 5.876 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.191 8.664 -7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.624 7.019 -10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.044 8.719 -10.140 1.00 0.00 H new ATOM 492 N GLY A 35 -6.502 9.521 -7.411 1.00 0.00 N ATOM 493 CA GLY A 35 -7.857 10.130 -7.192 1.00 0.00 C ATOM 494 C GLY A 35 -8.932 9.112 -6.821 1.00 0.00 C ATOM 495 O GLY A 35 -9.340 9.003 -5.681 1.00 0.00 O ATOM 0 H GLY A 35 -5.742 10.103 -7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.787 10.877 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.162 10.654 -8.098 1.00 0.00 H new ATOM 499 N ASP A 36 -9.415 8.397 -7.783 1.00 0.00 N ATOM 500 CA ASP A 36 -10.501 7.404 -7.527 1.00 0.00 C ATOM 501 C ASP A 36 -9.977 6.218 -6.712 1.00 0.00 C ATOM 502 O ASP A 36 -10.723 5.327 -6.354 1.00 0.00 O ATOM 503 CB ASP A 36 -11.045 6.897 -8.865 1.00 0.00 C ATOM 504 CG ASP A 36 -11.740 8.046 -9.599 1.00 0.00 C ATOM 505 OD1 ASP A 36 -11.149 9.109 -9.692 1.00 0.00 O ATOM 506 OD2 ASP A 36 -12.852 7.841 -10.059 1.00 0.00 O ATOM 0 H ASP A 36 -9.105 8.452 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.292 7.893 -6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.232 6.501 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.747 6.080 -8.699 1.00 0.00 H new ATOM 511 N GLY A 37 -8.709 6.188 -6.417 1.00 0.00 N ATOM 512 CA GLY A 37 -8.159 5.052 -5.635 1.00 0.00 C ATOM 513 C GLY A 37 -7.764 3.924 -6.590 1.00 0.00 C ATOM 514 O GLY A 37 -7.587 2.792 -6.182 1.00 0.00 O ATOM 0 H GLY A 37 -8.031 6.902 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.292 5.377 -5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.900 4.695 -4.920 1.00 0.00 H new ATOM 518 N ASN A 38 -7.618 4.218 -7.858 1.00 0.00 N ATOM 519 CA ASN A 38 -7.228 3.140 -8.815 1.00 0.00 C ATOM 520 C ASN A 38 -5.751 2.804 -8.605 1.00 0.00 C ATOM 521 O ASN A 38 -4.907 3.673 -8.563 1.00 0.00 O ATOM 522 CB ASN A 38 -7.455 3.606 -10.254 1.00 0.00 C ATOM 523 CG ASN A 38 -6.875 5.006 -10.438 1.00 0.00 C ATOM 524 OD1 ASN A 38 -5.674 5.183 -10.419 1.00 0.00 O ATOM 525 ND2 ASN A 38 -7.681 6.016 -10.620 1.00 0.00 N ATOM 0 H ASN A 38 -7.750 5.143 -8.266 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.838 2.255 -8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.984 2.912 -10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.521 3.611 -10.481 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.302 6.955 -10.746 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.690 5.867 -10.636 1.00 0.00 H new ATOM 532 N ILE A 39 -5.438 1.548 -8.452 1.00 0.00 N ATOM 533 CA ILE A 39 -4.019 1.153 -8.215 1.00 0.00 C ATOM 534 C ILE A 39 -3.129 1.628 -9.374 1.00 0.00 C ATOM 535 O ILE A 39 -3.450 1.463 -10.535 1.00 0.00 O ATOM 536 CB ILE A 39 -3.944 -0.397 -8.037 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.303 -0.727 -6.685 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.117 -1.077 -9.141 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.171 -1.744 -5.943 1.00 0.00 C ATOM 0 H ILE A 39 -6.104 0.776 -8.481 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.651 1.629 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.965 -0.774 -8.094 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.301 -1.129 -6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.198 0.180 -6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.097 -2.153 -8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.568 -0.872 -10.112 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.099 -0.688 -9.125 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.715 -1.979 -4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.164 -1.325 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.254 -2.654 -6.537 1.00 0.00 H new ATOM 551 N LEU A 40 -1.989 2.165 -9.052 1.00 0.00 N ATOM 552 CA LEU A 40 -1.034 2.593 -10.109 1.00 0.00 C ATOM 553 C LEU A 40 0.043 1.504 -10.188 1.00 0.00 C ATOM 554 O LEU A 40 0.608 1.235 -11.230 1.00 0.00 O ATOM 555 CB LEU A 40 -0.401 3.943 -9.748 1.00 0.00 C ATOM 556 CG LEU A 40 -1.430 4.838 -9.047 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.740 6.102 -8.535 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.529 5.225 -10.036 1.00 0.00 C ATOM 0 H LEU A 40 -1.675 2.327 -8.095 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.540 2.719 -11.066 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.460 3.787 -9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.035 4.434 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.869 4.297 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.471 6.739 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.044 5.828 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.301 6.642 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.260 5.861 -9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.090 5.766 -10.875 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.022 4.325 -10.403 1.00 0.00 H new ATOM 570 N GLN A 41 0.290 0.855 -9.076 1.00 0.00 N ATOM 571 CA GLN A 41 1.283 -0.261 -9.027 1.00 0.00 C ATOM 572 C GLN A 41 0.978 -1.108 -7.783 1.00 0.00 C ATOM 573 O GLN A 41 0.074 -0.802 -7.030 1.00 0.00 O ATOM 574 CB GLN A 41 2.734 0.261 -8.990 1.00 0.00 C ATOM 575 CG GLN A 41 2.838 1.594 -8.241 1.00 0.00 C ATOM 576 CD GLN A 41 3.359 1.342 -6.828 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.522 1.550 -6.548 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.539 0.893 -5.923 1.00 0.00 N ATOM 0 H GLN A 41 -0.164 1.056 -8.185 1.00 0.00 H new ATOM 0 HA GLN A 41 1.195 -0.863 -9.931 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.374 -0.478 -8.508 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.102 0.386 -10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.507 2.271 -8.772 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.862 2.078 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.562 0.719 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.873 0.715 -4.976 1.00 0.00 H new ATOM 587 N TYR A 42 1.689 -2.182 -7.569 1.00 0.00 N ATOM 588 CA TYR A 42 1.386 -3.045 -6.384 1.00 0.00 C ATOM 589 C TYR A 42 2.631 -3.853 -5.988 1.00 0.00 C ATOM 590 O TYR A 42 3.012 -3.893 -4.832 1.00 0.00 O ATOM 591 CB TYR A 42 0.245 -3.999 -6.772 1.00 0.00 C ATOM 592 CG TYR A 42 -0.490 -4.501 -5.548 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.419 -3.675 -4.906 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.260 -5.798 -5.070 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.117 -4.146 -3.786 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.957 -6.265 -3.949 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.885 -5.440 -3.307 1.00 0.00 C ATOM 598 OH TYR A 42 -2.575 -5.902 -2.205 1.00 0.00 O ATOM 0 H TYR A 42 2.460 -2.500 -8.156 1.00 0.00 H new ATOM 0 HA TYR A 42 1.093 -2.429 -5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.453 -3.485 -7.433 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.648 -4.845 -7.329 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.598 -2.675 -5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.455 -6.437 -5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.835 -3.509 -3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.777 -7.264 -3.580 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.098 -5.644 -1.389 1.00 0.00 H new ATOM 608 N ASN A 43 3.254 -4.491 -6.954 1.00 0.00 N ATOM 609 CA ASN A 43 4.485 -5.322 -6.709 1.00 0.00 C ATOM 610 C ASN A 43 4.083 -6.770 -6.378 1.00 0.00 C ATOM 611 O ASN A 43 2.916 -7.101 -6.313 1.00 0.00 O ATOM 612 CB ASN A 43 5.384 -4.690 -5.613 1.00 0.00 C ATOM 613 CG ASN A 43 5.176 -5.332 -4.231 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.114 -5.832 -3.929 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.162 -5.335 -3.378 1.00 0.00 N ATOM 0 H ASN A 43 2.953 -4.471 -7.929 1.00 0.00 H new ATOM 0 HA ASN A 43 5.085 -5.344 -7.619 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.430 -4.793 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.174 -3.622 -5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.039 -5.758 -2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.056 -4.915 -3.631 1.00 0.00 H new ATOM 622 N ALA A 44 5.045 -7.639 -6.207 1.00 0.00 N ATOM 623 CA ALA A 44 4.724 -9.071 -5.926 1.00 0.00 C ATOM 624 C ALA A 44 4.762 -9.398 -4.426 1.00 0.00 C ATOM 625 O ALA A 44 4.204 -10.387 -4.005 1.00 0.00 O ATOM 626 CB ALA A 44 5.741 -9.954 -6.653 1.00 0.00 C ATOM 0 H ALA A 44 6.040 -7.419 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 44 3.710 -9.260 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.518 -11.003 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.685 -9.766 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.745 -9.723 -6.296 1.00 0.00 H new ATOM 632 N ALA A 45 5.423 -8.616 -3.619 1.00 0.00 N ATOM 633 CA ALA A 45 5.483 -8.954 -2.160 1.00 0.00 C ATOM 634 C ALA A 45 4.073 -9.080 -1.586 1.00 0.00 C ATOM 635 O ALA A 45 3.650 -10.142 -1.172 1.00 0.00 O ATOM 636 CB ALA A 45 6.243 -7.865 -1.398 1.00 0.00 C ATOM 0 H ALA A 45 5.919 -7.769 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 45 6.003 -9.906 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.281 -8.121 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.258 -7.788 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.733 -6.910 -1.523 1.00 0.00 H new ATOM 642 N GLU A 46 3.350 -8.002 -1.534 1.00 0.00 N ATOM 643 CA GLU A 46 1.972 -8.060 -0.967 1.00 0.00 C ATOM 644 C GLU A 46 1.112 -9.003 -1.787 1.00 0.00 C ATOM 645 O GLU A 46 0.444 -9.862 -1.263 1.00 0.00 O ATOM 646 CB GLU A 46 1.317 -6.675 -0.969 1.00 0.00 C ATOM 647 CG GLU A 46 1.686 -5.881 -2.227 1.00 0.00 C ATOM 648 CD GLU A 46 1.114 -4.475 -2.111 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.817 -3.547 -2.475 1.00 0.00 O ATOM 650 OE2 GLU A 46 -0.156 -4.344 -1.585 1.00 0.00 O ATOM 0 H GLU A 46 3.649 -7.082 -1.858 1.00 0.00 H new ATOM 0 HA GLU A 46 2.050 -8.418 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.234 -6.783 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.630 -6.122 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.769 -5.839 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.291 -6.376 -3.114 1.00 0.00 H new ATOM 658 N GLY A 47 1.119 -8.845 -3.068 1.00 0.00 N ATOM 659 CA GLY A 47 0.289 -9.735 -3.928 1.00 0.00 C ATOM 660 C GLY A 47 0.736 -11.191 -3.755 1.00 0.00 C ATOM 661 O GLY A 47 0.041 -12.106 -4.150 1.00 0.00 O ATOM 0 H GLY A 47 1.661 -8.139 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.763 -9.634 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.384 -9.438 -4.972 1.00 0.00 H new ATOM 665 N ASP A 48 1.882 -11.427 -3.166 1.00 0.00 N ATOM 666 CA ASP A 48 2.331 -12.836 -2.978 1.00 0.00 C ATOM 667 C ASP A 48 1.626 -13.420 -1.752 1.00 0.00 C ATOM 668 O ASP A 48 1.304 -14.590 -1.707 1.00 0.00 O ATOM 669 CB ASP A 48 3.849 -12.880 -2.770 1.00 0.00 C ATOM 670 CG ASP A 48 4.290 -14.322 -2.512 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.643 -15.218 -3.028 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.265 -14.505 -1.803 1.00 0.00 O ATOM 0 H ASP A 48 2.518 -10.713 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 48 2.082 -13.420 -3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.358 -12.485 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.129 -12.247 -1.928 1.00 0.00 H new ATOM 677 N ILE A 49 1.379 -12.612 -0.757 1.00 0.00 N ATOM 678 CA ILE A 49 0.693 -13.116 0.461 1.00 0.00 C ATOM 679 C ILE A 49 -0.826 -13.119 0.211 1.00 0.00 C ATOM 680 O ILE A 49 -1.490 -14.126 0.357 1.00 0.00 O ATOM 681 CB ILE A 49 1.104 -12.217 1.646 1.00 0.00 C ATOM 682 CG1 ILE A 49 2.006 -13.017 2.589 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.099 -11.682 2.436 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.380 -13.204 1.942 1.00 0.00 C ATOM 0 H ILE A 49 1.624 -11.622 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 49 0.981 -14.140 0.699 1.00 0.00 H new ATOM 0 HB ILE A 49 1.628 -11.355 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.108 -12.496 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.558 -13.987 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.253 -11.057 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.734 -11.091 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.672 -12.518 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.023 -13.774 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.269 -13.743 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.828 -12.229 1.751 1.00 0.00 H new ATOM 696 N THR A 50 -1.370 -11.995 -0.164 1.00 0.00 N ATOM 697 CA THR A 50 -2.839 -11.914 -0.426 1.00 0.00 C ATOM 698 C THR A 50 -3.152 -12.500 -1.805 1.00 0.00 C ATOM 699 O THR A 50 -4.259 -12.927 -2.071 1.00 0.00 O ATOM 700 CB THR A 50 -3.281 -10.448 -0.402 1.00 0.00 C ATOM 701 OG1 THR A 50 -2.788 -9.790 -1.558 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.728 -9.759 0.840 1.00 0.00 C ATOM 0 H THR A 50 -0.859 -11.123 -0.302 1.00 0.00 H new ATOM 0 HA THR A 50 -3.369 -12.477 0.342 1.00 0.00 H new ATOM 0 HB THR A 50 -4.370 -10.403 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.808 -9.774 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.047 -8.717 0.850 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.102 -10.261 1.732 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.639 -9.805 0.827 1.00 0.00 H new ATOM 710 N GLY A 51 -2.194 -12.511 -2.690 1.00 0.00 N ATOM 711 CA GLY A 51 -2.440 -13.052 -4.051 1.00 0.00 C ATOM 712 C GLY A 51 -2.753 -11.902 -5.017 1.00 0.00 C ATOM 713 O GLY A 51 -2.746 -12.071 -6.220 1.00 0.00 O ATOM 0 H GLY A 51 -1.248 -12.166 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.565 -13.603 -4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.271 -13.756 -4.028 1.00 0.00 H new ATOM 717 N ARG A 52 -3.030 -10.734 -4.500 1.00 0.00 N ATOM 718 CA ARG A 52 -3.347 -9.571 -5.376 1.00 0.00 C ATOM 719 C ARG A 52 -2.181 -9.301 -6.328 1.00 0.00 C ATOM 720 O ARG A 52 -1.278 -8.548 -6.021 1.00 0.00 O ATOM 721 CB ARG A 52 -3.593 -8.340 -4.500 1.00 0.00 C ATOM 722 CG ARG A 52 -4.883 -8.550 -3.707 1.00 0.00 C ATOM 723 CD ARG A 52 -4.704 -8.080 -2.273 1.00 0.00 C ATOM 724 NE ARG A 52 -5.731 -7.051 -1.923 1.00 0.00 N ATOM 725 CZ ARG A 52 -6.912 -7.437 -1.525 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.507 -8.456 -2.086 1.00 0.00 N ATOM 727 NH2 ARG A 52 -7.508 -6.795 -0.570 1.00 0.00 N ATOM 0 H ARG A 52 -3.050 -10.536 -3.500 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.238 -9.790 -5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.754 -8.186 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.671 -7.446 -5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.700 -8.002 -4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.158 -9.605 -3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.786 -8.929 -1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.705 -7.663 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.511 -6.058 -1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.048 -8.960 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.430 -8.747 -1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.054 -5.993 -0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.431 -7.092 -0.255 1.00 0.00 H new ATOM 741 N ASP A 53 -2.194 -9.903 -7.484 1.00 0.00 N ATOM 742 CA ASP A 53 -1.087 -9.676 -8.453 1.00 0.00 C ATOM 743 C ASP A 53 -1.047 -8.191 -8.838 1.00 0.00 C ATOM 744 O ASP A 53 -1.976 -7.464 -8.553 1.00 0.00 O ATOM 745 CB ASP A 53 -1.321 -10.524 -9.705 1.00 0.00 C ATOM 746 CG ASP A 53 -0.373 -11.726 -9.692 1.00 0.00 C ATOM 747 OD1 ASP A 53 0.824 -11.510 -9.600 1.00 0.00 O ATOM 748 OD2 ASP A 53 -0.862 -12.841 -9.775 1.00 0.00 O ATOM 0 H ASP A 53 -2.923 -10.542 -7.800 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.138 -9.960 -7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.356 -10.864 -9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.153 -9.925 -10.600 1.00 0.00 H new ATOM 753 N PRO A 54 0.029 -7.776 -9.473 1.00 0.00 N ATOM 754 CA PRO A 54 0.198 -6.374 -9.897 1.00 0.00 C ATOM 755 C PRO A 54 -0.612 -6.089 -11.166 1.00 0.00 C ATOM 756 O PRO A 54 -1.404 -5.169 -11.214 1.00 0.00 O ATOM 757 CB PRO A 54 1.700 -6.260 -10.172 1.00 0.00 C ATOM 758 CG PRO A 54 2.208 -7.696 -10.441 1.00 0.00 C ATOM 759 CD PRO A 54 1.172 -8.653 -9.824 1.00 0.00 C ATOM 0 HA PRO A 54 -0.151 -5.660 -9.152 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.889 -5.615 -11.030 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.218 -5.819 -9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.312 -7.876 -11.511 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.191 -7.849 -9.995 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.876 -9.429 -10.530 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.571 -9.158 -8.944 1.00 0.00 H new ATOM 767 N LYS A 55 -0.418 -6.862 -12.198 1.00 0.00 N ATOM 768 CA LYS A 55 -1.172 -6.622 -13.456 1.00 0.00 C ATOM 769 C LYS A 55 -2.663 -6.882 -13.226 1.00 0.00 C ATOM 770 O LYS A 55 -3.507 -6.362 -13.928 1.00 0.00 O ATOM 771 CB LYS A 55 -0.653 -7.559 -14.549 1.00 0.00 C ATOM 772 CG LYS A 55 -0.884 -9.012 -14.134 1.00 0.00 C ATOM 773 CD LYS A 55 0.265 -9.878 -14.652 1.00 0.00 C ATOM 774 CE LYS A 55 0.105 -11.303 -14.123 1.00 0.00 C ATOM 775 NZ LYS A 55 0.601 -12.269 -15.143 1.00 0.00 N ATOM 0 H LYS A 55 0.230 -7.649 -12.223 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.032 -5.586 -13.766 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.163 -7.354 -15.490 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.409 -7.383 -14.718 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.948 -9.086 -13.048 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.833 -9.370 -14.535 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.270 -9.881 -15.742 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.221 -9.464 -14.330 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.661 -11.422 -13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.942 -11.503 -13.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.493 -13.239 -14.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.052 -12.161 -16.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.605 -12.082 -15.338 1.00 0.00 H new ATOM 789 N GLN A 56 -2.996 -7.684 -12.253 1.00 0.00 N ATOM 790 CA GLN A 56 -4.434 -7.975 -11.994 1.00 0.00 C ATOM 791 C GLN A 56 -5.052 -6.847 -11.171 1.00 0.00 C ATOM 792 O GLN A 56 -6.139 -6.383 -11.454 1.00 0.00 O ATOM 793 CB GLN A 56 -4.560 -9.292 -11.229 1.00 0.00 C ATOM 794 CG GLN A 56 -5.412 -10.268 -12.039 1.00 0.00 C ATOM 795 CD GLN A 56 -6.871 -10.169 -11.588 1.00 0.00 C ATOM 796 OE1 GLN A 56 -7.564 -9.233 -11.935 1.00 0.00 O ATOM 797 NE2 GLN A 56 -7.370 -11.102 -10.824 1.00 0.00 N ATOM 0 H GLN A 56 -2.337 -8.149 -11.628 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.960 -8.054 -12.946 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.573 -9.717 -11.049 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.015 -9.117 -10.254 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.333 -10.041 -13.102 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.047 -11.286 -11.903 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.789 -11.888 -10.533 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.341 -11.045 -10.518 1.00 0.00 H new ATOM 806 N VAL A 57 -4.369 -6.396 -10.157 1.00 0.00 N ATOM 807 CA VAL A 57 -4.920 -5.294 -9.322 1.00 0.00 C ATOM 808 C VAL A 57 -4.828 -3.972 -10.082 1.00 0.00 C ATOM 809 O VAL A 57 -5.278 -2.949 -9.609 1.00 0.00 O ATOM 810 CB VAL A 57 -4.129 -5.186 -8.022 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.239 -6.506 -7.263 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.660 -4.891 -8.336 1.00 0.00 C ATOM 0 H VAL A 57 -3.454 -6.743 -9.871 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.964 -5.509 -9.095 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.531 -4.377 -7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.676 -6.438 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.286 -6.711 -7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.833 -7.312 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.097 -4.814 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.249 -5.697 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.587 -3.951 -8.883 1.00 0.00 H new ATOM 822 N ILE A 58 -4.255 -3.975 -11.259 1.00 0.00 N ATOM 823 CA ILE A 58 -4.158 -2.709 -12.024 1.00 0.00 C ATOM 824 C ILE A 58 -5.562 -2.314 -12.485 1.00 0.00 C ATOM 825 O ILE A 58 -6.255 -3.069 -13.139 1.00 0.00 O ATOM 826 CB ILE A 58 -3.175 -2.898 -13.203 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.857 -2.229 -12.823 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.694 -2.266 -14.506 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.781 -2.582 -13.851 1.00 0.00 C ATOM 0 H ILE A 58 -3.855 -4.795 -11.715 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.766 -1.900 -11.407 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.055 -3.966 -13.384 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.988 -1.148 -12.777 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.546 -2.555 -11.831 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.968 -2.426 -15.303 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.642 -2.727 -14.782 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.840 -1.196 -14.358 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.158 -2.102 -13.575 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.642 -3.663 -13.876 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.091 -2.233 -14.836 1.00 0.00 H new ATOM 841 N GLY A 59 -5.986 -1.140 -12.125 1.00 0.00 N ATOM 842 CA GLY A 59 -7.351 -0.688 -12.512 1.00 0.00 C ATOM 843 C GLY A 59 -8.337 -1.048 -11.396 1.00 0.00 C ATOM 844 O GLY A 59 -9.420 -0.504 -11.312 1.00 0.00 O ATOM 0 H GLY A 59 -5.446 -0.470 -11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.355 0.388 -12.684 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.652 -1.161 -13.446 1.00 0.00 H new ATOM 848 N LYS A 60 -7.969 -1.964 -10.536 1.00 0.00 N ATOM 849 CA LYS A 60 -8.879 -2.359 -9.427 1.00 0.00 C ATOM 850 C LYS A 60 -8.797 -1.322 -8.309 1.00 0.00 C ATOM 851 O LYS A 60 -7.729 -0.999 -7.826 1.00 0.00 O ATOM 852 CB LYS A 60 -8.455 -3.729 -8.881 1.00 0.00 C ATOM 853 CG LYS A 60 -8.212 -4.695 -10.044 1.00 0.00 C ATOM 854 CD LYS A 60 -9.467 -4.775 -10.919 1.00 0.00 C ATOM 855 CE LYS A 60 -9.508 -6.124 -11.639 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.755 -6.214 -12.450 1.00 0.00 N ATOM 0 H LYS A 60 -7.075 -2.454 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.902 -2.415 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.549 -3.629 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.229 -4.124 -8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.363 -4.357 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.960 -5.684 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.359 -4.653 -10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.467 -3.963 -11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.634 -6.232 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.473 -6.937 -10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.785 -7.131 -12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.582 -6.128 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.769 -5.446 -13.151 1.00 0.00 H new ATOM 870 N ASN A 61 -9.916 -0.801 -7.888 1.00 0.00 N ATOM 871 CA ASN A 61 -9.894 0.206 -6.795 1.00 0.00 C ATOM 872 C ASN A 61 -9.453 -0.482 -5.503 1.00 0.00 C ATOM 873 O ASN A 61 -10.203 -1.209 -4.887 1.00 0.00 O ATOM 874 CB ASN A 61 -11.288 0.807 -6.615 1.00 0.00 C ATOM 875 CG ASN A 61 -11.321 2.207 -7.230 1.00 0.00 C ATOM 876 OD1 ASN A 61 -12.023 3.077 -6.752 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.588 2.461 -8.278 1.00 0.00 N ATOM 0 H ASN A 61 -10.841 -1.029 -8.253 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.198 1.007 -7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.034 0.171 -7.091 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.540 0.857 -5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.603 3.390 -8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.999 1.730 -8.678 1.00 0.00 H new ATOM 884 N PHE A 62 -8.236 -0.258 -5.096 1.00 0.00 N ATOM 885 CA PHE A 62 -7.717 -0.896 -3.851 1.00 0.00 C ATOM 886 C PHE A 62 -8.628 -0.574 -2.657 1.00 0.00 C ATOM 887 O PHE A 62 -8.554 -1.213 -1.626 1.00 0.00 O ATOM 888 CB PHE A 62 -6.313 -0.351 -3.578 1.00 0.00 C ATOM 889 CG PHE A 62 -5.816 -0.850 -2.244 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.328 -2.154 -2.125 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.843 -0.003 -1.129 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.861 -2.616 -0.889 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.377 -0.464 0.106 1.00 0.00 C ATOM 894 CZ PHE A 62 -4.885 -1.770 0.227 1.00 0.00 C ATOM 0 H PHE A 62 -7.570 0.346 -5.577 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.691 -1.978 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.632 -0.664 -4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.329 0.739 -3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.311 -2.805 -2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.223 1.004 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.483 -3.623 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.396 0.187 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.524 -2.125 1.181 1.00 0.00 H new ATOM 904 N PHE A 63 -9.458 0.418 -2.772 1.00 0.00 N ATOM 905 CA PHE A 63 -10.334 0.784 -1.625 1.00 0.00 C ATOM 906 C PHE A 63 -11.699 0.097 -1.744 1.00 0.00 C ATOM 907 O PHE A 63 -12.268 -0.335 -0.761 1.00 0.00 O ATOM 908 CB PHE A 63 -10.515 2.299 -1.603 1.00 0.00 C ATOM 909 CG PHE A 63 -9.312 2.928 -0.942 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.051 2.682 0.410 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.457 3.754 -1.679 1.00 0.00 C ATOM 912 CE1 PHE A 63 -7.938 3.263 1.025 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.344 4.337 -1.062 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.084 4.092 0.290 1.00 0.00 C ATOM 0 H PHE A 63 -9.570 0.992 -3.608 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.866 0.452 -0.698 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.629 2.679 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.423 2.562 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.710 2.043 0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.656 3.942 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.737 3.072 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.685 4.977 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.225 4.542 0.766 1.00 0.00 H new ATOM 924 N LYS A 64 -12.230 -0.014 -2.929 1.00 0.00 N ATOM 925 CA LYS A 64 -13.556 -0.679 -3.088 1.00 0.00 C ATOM 926 C LYS A 64 -13.494 -1.648 -4.268 1.00 0.00 C ATOM 927 O LYS A 64 -14.399 -1.727 -5.073 1.00 0.00 O ATOM 928 CB LYS A 64 -14.642 0.374 -3.338 1.00 0.00 C ATOM 929 CG LYS A 64 -14.270 1.224 -4.554 1.00 0.00 C ATOM 930 CD LYS A 64 -14.059 2.676 -4.116 1.00 0.00 C ATOM 931 CE LYS A 64 -15.406 3.303 -3.752 1.00 0.00 C ATOM 932 NZ LYS A 64 -15.178 4.593 -3.040 1.00 0.00 N ATOM 0 H LYS A 64 -11.806 0.325 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.799 -1.227 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.603 -0.114 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.754 1.009 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.363 0.837 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.059 1.170 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.386 2.714 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.587 3.244 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.996 3.472 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.977 2.623 -3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.094 5.019 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.631 4.419 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.650 5.242 -3.658 1.00 0.00 H new ATOM 946 N ASP A 65 -12.424 -2.386 -4.371 1.00 0.00 N ATOM 947 CA ASP A 65 -12.290 -3.358 -5.495 1.00 0.00 C ATOM 948 C ASP A 65 -11.256 -4.438 -5.143 1.00 0.00 C ATOM 949 O ASP A 65 -11.381 -5.574 -5.552 1.00 0.00 O ATOM 950 CB ASP A 65 -11.842 -2.624 -6.759 1.00 0.00 C ATOM 951 CG ASP A 65 -12.982 -2.623 -7.781 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.520 -3.687 -8.040 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.294 -1.559 -8.288 1.00 0.00 O ATOM 0 H ASP A 65 -11.635 -2.359 -3.725 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.257 -3.831 -5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.557 -1.600 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -10.962 -3.109 -7.181 1.00 0.00 H new ATOM 958 N VAL A 66 -10.240 -4.106 -4.386 1.00 0.00 N ATOM 959 CA VAL A 66 -9.226 -5.122 -4.020 1.00 0.00 C ATOM 960 C VAL A 66 -9.388 -5.441 -2.549 1.00 0.00 C ATOM 961 O VAL A 66 -9.459 -6.582 -2.136 1.00 0.00 O ATOM 962 CB VAL A 66 -7.830 -4.533 -4.203 1.00 0.00 C ATOM 963 CG1 VAL A 66 -6.793 -5.641 -4.140 1.00 0.00 C ATOM 964 CG2 VAL A 66 -7.718 -3.837 -5.544 1.00 0.00 C ATOM 0 H VAL A 66 -10.075 -3.173 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.353 -6.008 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.656 -3.810 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.798 -5.216 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.850 -6.138 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.985 -6.365 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.716 -3.423 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.906 -4.554 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.451 -3.032 -5.599 1.00 0.00 H new ATOM 974 N ALA A 67 -9.407 -4.412 -1.761 1.00 0.00 N ATOM 975 CA ALA A 67 -9.515 -4.576 -0.299 1.00 0.00 C ATOM 976 C ALA A 67 -10.824 -3.952 0.208 1.00 0.00 C ATOM 977 O ALA A 67 -10.887 -2.758 0.426 1.00 0.00 O ATOM 978 CB ALA A 67 -8.320 -3.865 0.311 1.00 0.00 C ATOM 0 H ALA A 67 -9.351 -3.444 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.524 -5.630 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.356 -3.959 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.400 -4.315 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.345 -2.810 0.037 1.00 0.00 H new ATOM 984 N PRO A 68 -11.837 -4.777 0.389 1.00 0.00 N ATOM 985 CA PRO A 68 -13.152 -4.311 0.871 1.00 0.00 C ATOM 986 C PRO A 68 -13.110 -3.980 2.369 1.00 0.00 C ATOM 987 O PRO A 68 -14.092 -3.553 2.943 1.00 0.00 O ATOM 988 CB PRO A 68 -14.082 -5.496 0.594 1.00 0.00 C ATOM 989 CG PRO A 68 -13.179 -6.747 0.498 1.00 0.00 C ATOM 990 CD PRO A 68 -11.770 -6.242 0.144 1.00 0.00 C ATOM 0 HA PRO A 68 -13.478 -3.395 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.817 -5.608 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.637 -5.346 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.170 -7.292 1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.548 -7.434 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.009 -6.715 0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.517 -6.461 -0.893 1.00 0.00 H new ATOM 998 N CYS A 69 -11.986 -4.168 3.009 1.00 0.00 N ATOM 999 CA CYS A 69 -11.901 -3.858 4.462 1.00 0.00 C ATOM 1000 C CYS A 69 -11.340 -2.442 4.656 1.00 0.00 C ATOM 1001 O CYS A 69 -11.589 -1.795 5.654 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.979 -4.885 5.148 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.240 -4.556 4.736 1.00 0.00 S ATOM 0 H CYS A 69 -11.127 -4.522 2.588 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.895 -3.910 4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.117 -4.842 6.228 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.249 -5.893 4.832 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.477 -5.394 5.373 1.00 0.00 H new ATOM 1008 N THR A 70 -10.563 -1.971 3.715 1.00 0.00 N ATOM 1009 CA THR A 70 -9.962 -0.617 3.849 1.00 0.00 C ATOM 1010 C THR A 70 -11.059 0.441 3.797 1.00 0.00 C ATOM 1011 O THR A 70 -11.000 1.439 4.484 1.00 0.00 O ATOM 1012 CB THR A 70 -8.967 -0.403 2.708 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.662 -0.465 1.465 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.889 -1.492 2.776 1.00 0.00 C ATOM 0 H THR A 70 -10.320 -2.469 2.859 1.00 0.00 H new ATOM 0 HA THR A 70 -9.443 -0.533 4.804 1.00 0.00 H new ATOM 0 HB THR A 70 -8.491 0.574 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.916 -1.393 1.278 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.174 -1.348 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.370 -1.431 3.733 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.355 -2.472 2.678 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.065 0.232 2.997 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.165 1.233 2.919 1.00 0.00 C ATOM 1024 C ASP A 71 -13.769 1.422 4.314 1.00 0.00 C ATOM 1025 O ASP A 71 -14.670 0.711 4.712 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.240 0.733 1.951 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.166 1.532 0.649 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -13.094 2.025 0.340 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.184 1.638 -0.016 1.00 0.00 O ATOM 0 H ASP A 71 -12.174 -0.585 2.396 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.775 2.185 2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.096 -0.328 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.227 0.840 2.400 1.00 0.00 H new ATOM 1034 N SER A 72 -13.275 2.373 5.063 1.00 0.00 N ATOM 1035 CA SER A 72 -13.813 2.603 6.434 1.00 0.00 C ATOM 1036 C SER A 72 -13.019 3.733 7.108 1.00 0.00 C ATOM 1037 O SER A 72 -12.007 4.159 6.582 1.00 0.00 O ATOM 1038 CB SER A 72 -13.670 1.325 7.259 1.00 0.00 C ATOM 1039 OG SER A 72 -14.946 0.719 7.413 1.00 0.00 O ATOM 0 H SER A 72 -12.521 3.000 4.783 1.00 0.00 H new ATOM 0 HA SER A 72 -14.865 2.880 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.985 0.635 6.766 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.244 1.555 8.236 1.00 0.00 H new ATOM 0 HG SER A 72 -15.312 0.499 6.531 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.500 4.186 8.254 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.850 5.273 9.015 1.00 0.00 C ATOM 1047 C PRO A 73 -11.609 4.757 9.748 1.00 0.00 C ATOM 1048 O PRO A 73 -11.642 4.469 10.928 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.927 5.716 10.008 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.901 4.527 10.156 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.726 3.655 8.899 1.00 0.00 C ATOM 0 HA PRO A 73 -12.504 6.087 8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.485 5.977 10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.448 6.602 9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.680 3.956 11.058 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.929 4.877 10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.616 2.602 9.157 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.589 3.732 8.238 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.515 4.642 9.050 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.253 4.149 9.673 1.00 0.00 C ATOM 1061 C GLU A 74 -8.266 3.850 8.554 1.00 0.00 C ATOM 1062 O GLU A 74 -7.080 4.079 8.667 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.524 2.867 10.454 1.00 0.00 C ATOM 1064 CG GLU A 74 -9.419 3.145 11.954 1.00 0.00 C ATOM 1065 CD GLU A 74 -10.384 2.231 12.712 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -11.530 2.144 12.306 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -9.958 1.633 13.687 1.00 0.00 O ATOM 0 H GLU A 74 -10.439 4.872 8.059 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.854 4.900 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.517 2.486 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.809 2.096 10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.398 2.976 12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.655 4.189 12.158 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.770 3.358 7.461 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.902 3.060 6.298 1.00 0.00 C ATOM 1076 C PHE A 75 -8.240 4.083 5.216 1.00 0.00 C ATOM 1077 O PHE A 75 -7.459 4.969 4.906 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.180 1.638 5.797 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.893 1.024 5.305 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.421 1.343 4.031 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.170 0.146 6.120 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.225 0.789 3.567 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -4.972 -0.414 5.656 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.500 -0.090 4.378 1.00 0.00 C ATOM 0 H PHE A 75 -9.759 3.148 7.324 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.847 3.120 6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.602 1.033 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.916 1.660 4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.981 2.019 3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.535 -0.100 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.860 1.040 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.414 -1.094 6.283 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.576 -0.519 4.019 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.427 4.013 4.677 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.819 5.023 3.665 1.00 0.00 C ATOM 1096 C TYR A 76 -10.130 6.322 4.404 1.00 0.00 C ATOM 1097 O TYR A 76 -10.157 7.375 3.820 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.052 4.559 2.883 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.225 5.430 1.655 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.124 5.726 0.836 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.488 5.943 1.336 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.289 6.532 -0.300 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.652 6.748 0.202 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.553 7.042 -0.617 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.720 7.837 -1.736 1.00 0.00 O ATOM 0 H TYR A 76 -10.132 3.308 4.893 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.009 5.168 2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.939 3.515 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.940 4.618 3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.148 5.333 1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.336 5.718 1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.441 6.759 -0.930 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.627 7.143 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.660 8.105 -1.809 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.347 6.250 5.696 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.621 7.482 6.486 1.00 0.00 C ATOM 1117 C GLY A 77 -9.394 8.379 6.436 1.00 0.00 C ATOM 1118 O GLY A 77 -9.451 9.516 6.012 1.00 0.00 O ATOM 0 H GLY A 77 -10.345 5.384 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.488 8.005 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.858 7.224 7.518 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.277 7.869 6.878 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.030 8.686 6.869 1.00 0.00 C ATOM 1124 C LYS A 78 -6.677 9.063 5.437 1.00 0.00 C ATOM 1125 O LYS A 78 -5.928 9.983 5.194 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.889 7.893 7.517 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.402 7.136 8.757 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.466 7.963 9.501 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.322 7.755 11.009 1.00 0.00 C ATOM 1130 NZ LYS A 78 -6.955 9.047 11.653 1.00 0.00 N ATOM 0 H LYS A 78 -8.174 6.923 7.245 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.186 9.600 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.473 7.187 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.083 8.569 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.825 6.178 8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.570 6.919 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.354 9.020 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.463 7.665 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.257 7.380 11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.558 7.004 11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.857 8.908 12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.053 9.386 11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.699 9.750 11.469 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.219 8.363 4.489 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.945 8.676 3.073 1.00 0.00 C ATOM 1146 C PHE A 79 -7.824 9.836 2.626 1.00 0.00 C ATOM 1147 O PHE A 79 -7.402 10.679 1.882 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.282 7.445 2.253 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.121 7.697 0.766 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.063 8.481 0.079 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.065 7.102 0.058 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.935 8.677 -1.303 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.954 7.293 -1.317 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.881 8.080 -1.996 1.00 0.00 C ATOM 0 H PHE A 79 -7.850 7.576 4.641 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.899 8.954 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.636 6.620 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.307 7.139 2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.885 8.932 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.339 6.496 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.651 9.289 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.144 6.828 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.784 8.229 -3.061 1.00 0.00 H new ATOM 1164 N LYS A 80 -9.045 9.883 3.067 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.940 10.982 2.655 1.00 0.00 C ATOM 1166 C LYS A 80 -9.550 12.258 3.392 1.00 0.00 C ATOM 1167 O LYS A 80 -9.974 13.342 3.042 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.387 10.615 2.984 1.00 0.00 C ATOM 1169 CG LYS A 80 -12.105 10.176 1.706 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.535 10.721 1.705 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.681 11.769 0.601 1.00 0.00 C ATOM 1172 NZ LYS A 80 -13.224 11.191 -0.695 1.00 0.00 N ATOM 0 H LYS A 80 -9.461 9.200 3.700 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.847 11.144 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.411 9.813 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.899 11.470 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.566 10.540 0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.120 9.088 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.245 9.909 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.768 11.163 2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.720 12.088 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.093 12.654 0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.850 11.515 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.251 11.501 -0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.252 10.153 -0.641 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.724 12.147 4.395 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.295 13.377 5.125 1.00 0.00 C ATOM 1188 C GLU A 81 -6.951 13.806 4.554 1.00 0.00 C ATOM 1189 O GLU A 81 -6.700 14.971 4.323 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.178 13.107 6.630 1.00 0.00 C ATOM 1191 CG GLU A 81 -7.100 12.060 6.887 1.00 0.00 C ATOM 1192 CD GLU A 81 -6.989 11.801 8.391 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -7.912 11.225 8.942 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -5.981 12.180 8.964 1.00 0.00 O ATOM 0 H GLU A 81 -8.331 11.271 4.739 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.035 14.167 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.934 14.030 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.134 12.761 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.345 11.135 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.143 12.404 6.495 1.00 0.00 H new ATOM 1201 N GLY A 82 -6.099 12.857 4.299 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.774 13.183 3.706 1.00 0.00 C ATOM 1203 C GLY A 82 -5.020 13.815 2.336 1.00 0.00 C ATOM 1204 O GLY A 82 -4.357 14.748 1.936 1.00 0.00 O ATOM 0 H GLY A 82 -6.263 11.866 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.225 13.869 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.167 12.283 3.608 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.983 13.300 1.622 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.311 13.849 0.272 1.00 0.00 C ATOM 1210 C VAL A 83 -6.752 15.314 0.397 1.00 0.00 C ATOM 1211 O VAL A 83 -6.429 16.141 -0.432 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.465 13.039 -0.333 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.866 13.631 -1.686 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -7.036 11.585 -0.530 1.00 0.00 C ATOM 0 H VAL A 83 -6.563 12.515 1.918 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.428 13.786 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.314 13.079 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.686 13.050 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.185 14.664 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.013 13.601 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.861 11.017 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.179 11.546 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.761 11.153 0.432 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.514 15.631 1.408 1.00 0.00 N ATOM 1225 CA ALA A 84 -8.008 17.032 1.566 1.00 0.00 C ATOM 1226 C ALA A 84 -7.100 17.840 2.501 1.00 0.00 C ATOM 1227 O ALA A 84 -7.349 19.003 2.754 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.415 16.993 2.157 1.00 0.00 C ATOM 0 H ALA A 84 -7.817 14.981 2.133 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.009 17.511 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.787 18.010 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.076 16.442 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.388 16.499 3.128 1.00 0.00 H new ATOM 1234 N SER A 85 -6.065 17.249 3.024 1.00 0.00 N ATOM 1235 CA SER A 85 -5.172 18.009 3.947 1.00 0.00 C ATOM 1236 C SER A 85 -3.869 18.380 3.234 1.00 0.00 C ATOM 1237 O SER A 85 -3.200 19.326 3.598 1.00 0.00 O ATOM 1238 CB SER A 85 -4.853 17.153 5.173 1.00 0.00 C ATOM 1239 OG SER A 85 -4.514 18.001 6.263 1.00 0.00 O ATOM 0 H SER A 85 -5.797 16.279 2.856 1.00 0.00 H new ATOM 0 HA SER A 85 -5.681 18.921 4.258 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.712 16.534 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.027 16.476 4.953 1.00 0.00 H new ATOM 0 HG SER A 85 -4.310 17.455 7.051 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.500 17.644 2.224 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.236 17.960 1.500 1.00 0.00 C ATOM 1247 C GLY A 86 -1.041 17.419 2.292 1.00 0.00 C ATOM 1248 O GLY A 86 0.091 17.797 2.061 1.00 0.00 O ATOM 0 H GLY A 86 -4.016 16.839 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.255 17.518 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.140 19.038 1.368 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.279 16.535 3.225 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.158 15.973 4.026 1.00 0.00 C ATOM 1254 C ASN A 87 -0.497 14.535 4.421 1.00 0.00 C ATOM 1255 O ASN A 87 -0.560 14.196 5.587 1.00 0.00 O ATOM 1256 CB ASN A 87 0.047 16.816 5.287 1.00 0.00 C ATOM 1257 CG ASN A 87 0.328 18.268 4.892 1.00 0.00 C ATOM 1258 OD1 ASN A 87 -0.533 19.117 5.002 1.00 0.00 O ATOM 1259 ND2 ASN A 87 1.508 18.590 4.436 1.00 0.00 N ATOM 0 H ASN A 87 -2.204 16.179 3.465 1.00 0.00 H new ATOM 0 HA ASN A 87 0.757 15.986 3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.840 16.765 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.878 16.420 5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.707 19.555 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.231 17.877 4.344 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.724 13.690 3.455 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.066 12.275 3.762 1.00 0.00 C ATOM 1268 C LEU A 88 0.156 11.565 4.352 1.00 0.00 C ATOM 1269 O LEU A 88 1.143 11.339 3.686 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.505 11.571 2.476 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.493 10.454 2.809 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.683 10.522 1.849 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.798 9.098 2.660 1.00 0.00 C ATOM 0 H LEU A 88 -0.687 13.920 2.462 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.879 12.245 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.968 12.288 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.637 11.160 1.961 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.844 10.574 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.388 9.725 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.179 11.487 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.331 10.402 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.502 8.300 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.448 8.979 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.949 9.047 3.342 1.00 0.00 H new ATOM 1285 N ASN A 89 0.093 11.213 5.599 1.00 0.00 N ATOM 1286 CA ASN A 89 1.239 10.513 6.241 1.00 0.00 C ATOM 1287 C ASN A 89 0.722 9.804 7.485 1.00 0.00 C ATOM 1288 O ASN A 89 0.802 10.317 8.582 1.00 0.00 O ATOM 1289 CB ASN A 89 2.312 11.529 6.636 1.00 0.00 C ATOM 1290 CG ASN A 89 1.684 12.629 7.492 1.00 0.00 C ATOM 1291 OD1 ASN A 89 0.492 12.622 7.731 1.00 0.00 O ATOM 1292 ND2 ASN A 89 2.440 13.580 7.967 1.00 0.00 N ATOM 0 H ASN A 89 -0.708 11.380 6.209 1.00 0.00 H new ATOM 0 HA ASN A 89 1.678 9.794 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.110 11.034 7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.764 11.962 5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.031 14.319 8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.440 13.585 7.766 1.00 0.00 H new ATOM 1299 N THR A 90 0.165 8.638 7.323 1.00 0.00 N ATOM 1300 CA THR A 90 -0.384 7.923 8.511 1.00 0.00 C ATOM 1301 C THR A 90 0.093 6.473 8.543 1.00 0.00 C ATOM 1302 O THR A 90 0.715 5.987 7.624 1.00 0.00 O ATOM 1303 CB THR A 90 -1.913 7.954 8.450 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.445 7.309 9.599 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.390 7.231 7.190 1.00 0.00 C ATOM 0 H THR A 90 0.066 8.152 6.432 1.00 0.00 H new ATOM 0 HA THR A 90 -0.031 8.421 9.414 1.00 0.00 H new ATOM 0 HB THR A 90 -2.255 8.989 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.424 7.330 9.562 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.479 7.254 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.982 7.727 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.049 6.196 7.213 1.00 0.00 H new ATOM 1313 N MET A 91 -0.201 5.785 9.609 1.00 0.00 N ATOM 1314 CA MET A 91 0.213 4.360 9.740 1.00 0.00 C ATOM 1315 C MET A 91 -0.659 3.702 10.814 1.00 0.00 C ATOM 1316 O MET A 91 -1.386 4.372 11.520 1.00 0.00 O ATOM 1317 CB MET A 91 1.680 4.293 10.172 1.00 0.00 C ATOM 1318 CG MET A 91 1.911 5.256 11.341 1.00 0.00 C ATOM 1319 SD MET A 91 2.450 4.327 12.799 1.00 0.00 S ATOM 1320 CE MET A 91 4.146 4.011 12.253 1.00 0.00 C ATOM 0 H MET A 91 -0.718 6.154 10.407 1.00 0.00 H new ATOM 0 HA MET A 91 0.095 3.845 8.786 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.937 3.276 10.468 1.00 0.00 H new ATOM 0 HB3 MET A 91 2.329 4.556 9.337 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.664 5.997 11.071 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.993 5.800 11.563 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.694 3.501 13.045 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.130 3.384 11.361 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.636 4.957 12.023 1.00 0.00 H new ATOM 1330 N PHE A 92 -0.581 2.407 10.963 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.400 1.729 12.020 1.00 0.00 C ATOM 1332 C PHE A 92 -1.293 0.213 11.871 1.00 0.00 C ATOM 1333 O PHE A 92 -0.580 -0.296 11.031 1.00 0.00 O ATOM 1334 CB PHE A 92 -2.879 2.146 11.931 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.371 2.084 10.504 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.775 0.862 9.949 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -3.431 3.251 9.738 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.230 0.810 8.625 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -3.892 3.200 8.415 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.292 1.977 7.858 1.00 0.00 C ATOM 0 H PHE A 92 0.009 1.789 10.405 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.011 2.033 12.992 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.484 1.491 12.557 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.000 3.158 12.318 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.736 -0.040 10.542 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.122 4.193 10.166 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.533 -0.134 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.939 4.103 7.825 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.647 1.937 6.839 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.000 -0.512 12.687 1.00 0.00 N ATOM 1351 CA GLU A 93 -1.951 -1.994 12.598 1.00 0.00 C ATOM 1352 C GLU A 93 -3.294 -2.489 12.061 1.00 0.00 C ATOM 1353 O GLU A 93 -4.291 -2.478 12.755 1.00 0.00 O ATOM 1354 CB GLU A 93 -1.703 -2.584 13.989 1.00 0.00 C ATOM 1355 CG GLU A 93 -0.639 -3.680 13.897 1.00 0.00 C ATOM 1356 CD GLU A 93 -1.124 -4.782 12.953 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -2.290 -5.133 13.032 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -0.321 -5.255 12.165 1.00 0.00 O ATOM 0 H GLU A 93 -2.612 -0.141 13.414 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.144 -2.305 11.934 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.376 -1.802 14.674 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.629 -2.994 14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.299 -3.261 13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.441 -4.094 14.886 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.335 -2.902 10.826 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.625 -3.372 10.249 1.00 0.00 C ATOM 1367 C TYR A 94 -4.640 -4.894 10.156 1.00 0.00 C ATOM 1368 O TYR A 94 -3.693 -5.565 10.517 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.797 -2.783 8.849 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.232 -2.353 8.657 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.728 -1.245 9.354 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.065 -3.062 7.783 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.059 -0.847 9.178 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.395 -2.663 7.607 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.893 -1.556 8.305 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.203 -1.161 8.132 1.00 0.00 O ATOM 0 H TYR A 94 -2.536 -2.935 10.193 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.440 -3.046 10.895 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.130 -1.931 8.717 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.524 -3.522 8.096 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.085 -0.698 10.027 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.681 -3.916 7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.442 0.007 9.716 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.038 -3.209 6.932 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.523 -1.464 7.257 1.00 0.00 H new ATOM 1386 N THR A 95 -5.716 -5.437 9.663 1.00 0.00 N ATOM 1387 CA THR A 95 -5.822 -6.912 9.525 1.00 0.00 C ATOM 1388 C THR A 95 -6.594 -7.226 8.246 1.00 0.00 C ATOM 1389 O THR A 95 -7.778 -6.975 8.146 1.00 0.00 O ATOM 1390 CB THR A 95 -6.569 -7.490 10.736 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.756 -7.359 11.895 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.884 -8.972 10.496 1.00 0.00 C ATOM 0 H THR A 95 -6.534 -4.916 9.347 1.00 0.00 H new ATOM 0 HA THR A 95 -4.828 -7.356 9.478 1.00 0.00 H new ATOM 0 HB THR A 95 -7.502 -6.945 10.878 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.230 -7.725 12.670 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.414 -9.376 11.359 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.508 -9.072 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.955 -9.523 10.351 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.938 -7.781 7.269 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.650 -8.113 6.006 1.00 0.00 C ATOM 1402 C PHE A 96 -7.279 -9.497 6.143 1.00 0.00 C ATOM 1403 O PHE A 96 -6.643 -10.441 6.557 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.665 -8.090 4.832 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.934 -6.758 4.781 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.527 -5.591 5.297 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.658 -6.692 4.211 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -4.842 -4.371 5.239 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -2.975 -5.470 4.154 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.567 -4.311 4.668 1.00 0.00 C ATOM 0 H PHE A 96 -4.946 -8.018 7.289 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.431 -7.377 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.946 -8.903 4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.200 -8.255 3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.512 -5.636 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.198 -7.585 3.814 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.299 -3.476 5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -1.990 -5.423 3.713 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.039 -3.370 4.624 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.530 -9.621 5.808 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.212 -10.933 5.926 1.00 0.00 C ATOM 1422 C ASP A 97 -10.459 -10.904 5.051 1.00 0.00 C ATOM 1423 O ASP A 97 -11.572 -10.971 5.534 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.611 -11.173 7.383 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.427 -9.983 7.892 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -9.855 -8.914 8.035 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -11.611 -10.160 8.131 1.00 0.00 O ATOM 0 H ASP A 97 -9.113 -8.862 5.455 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.547 -11.735 5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.195 -12.090 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -8.721 -11.306 7.998 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.281 -10.775 3.766 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.459 -10.710 2.847 1.00 0.00 C ATOM 1434 C TYR A 98 -11.968 -12.109 2.474 1.00 0.00 C ATOM 1435 O TYR A 98 -12.331 -12.351 1.343 1.00 0.00 O ATOM 1436 CB TYR A 98 -11.070 -9.944 1.573 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.737 -10.427 1.023 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -9.525 -11.782 0.712 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.710 -9.501 0.797 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -8.299 -12.199 0.185 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.485 -9.926 0.265 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.282 -11.273 -0.039 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.077 -11.691 -0.564 1.00 0.00 O ATOM 0 H TYR A 98 -9.371 -10.711 3.309 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.265 -10.191 3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.845 -10.073 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -11.011 -8.878 1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.312 -12.503 0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.863 -8.458 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.140 -13.241 -0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.696 -9.209 0.090 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.237 -12.202 -1.385 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.009 -13.006 3.427 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.495 -14.413 3.199 1.00 0.00 C ATOM 1455 C GLN A 99 -11.312 -15.304 2.781 1.00 0.00 C ATOM 1456 O GLN A 99 -11.465 -16.273 2.064 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.655 -14.451 2.162 1.00 0.00 C ATOM 1458 CG GLN A 99 -13.158 -14.749 0.735 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.996 -13.960 -0.273 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -14.448 -12.870 0.015 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.221 -14.469 -1.453 1.00 0.00 N ATOM 0 H GLN A 99 -11.717 -12.820 4.386 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.905 -14.805 4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -14.378 -15.211 2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.177 -13.494 2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.106 -14.478 0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -13.232 -15.817 0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.841 -15.384 -1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.777 -13.952 -2.134 1.00 0.00 H new ATOM 1470 N MET A 100 -10.130 -14.980 3.239 1.00 0.00 N ATOM 1471 CA MET A 100 -8.936 -15.798 2.882 1.00 0.00 C ATOM 1472 C MET A 100 -8.165 -16.165 4.153 1.00 0.00 C ATOM 1473 O MET A 100 -8.159 -17.302 4.582 1.00 0.00 O ATOM 1474 CB MET A 100 -8.030 -14.983 1.960 1.00 0.00 C ATOM 1475 CG MET A 100 -7.609 -15.833 0.758 1.00 0.00 C ATOM 1476 SD MET A 100 -5.809 -16.033 0.752 1.00 0.00 S ATOM 1477 CE MET A 100 -5.380 -14.280 0.620 1.00 0.00 C ATOM 0 H MET A 100 -9.942 -14.182 3.846 1.00 0.00 H new ATOM 0 HA MET A 100 -9.256 -16.710 2.377 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.553 -14.089 1.619 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.148 -14.648 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.093 -16.809 0.803 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.935 -15.358 -0.167 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.407 -14.108 1.080 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.340 -13.993 -0.431 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.134 -13.681 1.131 1.00 0.00 H new ATOM 1487 N THR A 101 -7.508 -15.210 4.754 1.00 0.00 N ATOM 1488 CA THR A 101 -6.732 -15.502 5.992 1.00 0.00 C ATOM 1489 C THR A 101 -6.503 -14.196 6.772 1.00 0.00 C ATOM 1490 O THR A 101 -6.425 -13.139 6.179 1.00 0.00 O ATOM 1491 CB THR A 101 -5.381 -16.113 5.603 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.522 -16.131 6.734 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.742 -15.280 4.491 1.00 0.00 C ATOM 0 H THR A 101 -7.475 -14.240 4.440 1.00 0.00 H new ATOM 0 HA THR A 101 -7.284 -16.203 6.618 1.00 0.00 H new ATOM 0 HB THR A 101 -5.536 -17.132 5.249 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.660 -16.523 6.484 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.782 -15.716 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.399 -15.270 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.590 -14.260 4.843 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.404 -14.300 8.084 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.188 -13.124 8.949 1.00 0.00 C ATOM 1503 C PRO A 102 -4.729 -12.653 8.878 1.00 0.00 C ATOM 1504 O PRO A 102 -3.929 -12.937 9.748 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.533 -13.638 10.351 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.378 -15.176 10.303 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.499 -15.582 8.823 1.00 0.00 C ATOM 0 HA PRO A 102 -6.791 -12.265 8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.869 -13.204 11.098 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.550 -13.359 10.628 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.415 -15.482 10.712 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.147 -15.662 10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.704 -16.269 8.532 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.445 -16.087 8.625 1.00 0.00 H new ATOM 1515 N THR A 103 -4.381 -11.932 7.847 1.00 0.00 N ATOM 1516 CA THR A 103 -2.982 -11.436 7.709 1.00 0.00 C ATOM 1517 C THR A 103 -2.816 -10.133 8.497 1.00 0.00 C ATOM 1518 O THR A 103 -3.239 -9.082 8.058 1.00 0.00 O ATOM 1519 CB THR A 103 -2.677 -11.190 6.210 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.151 -12.381 5.644 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.657 -10.044 6.017 1.00 0.00 C ATOM 0 H THR A 103 -5.010 -11.664 7.090 1.00 0.00 H new ATOM 0 HA THR A 103 -2.288 -12.178 8.104 1.00 0.00 H new ATOM 0 HB THR A 103 -3.605 -10.904 5.715 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.106 -12.288 4.669 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.468 -9.901 4.953 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.059 -9.124 6.441 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.724 -10.299 6.520 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.160 -10.174 9.620 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.931 -8.913 10.365 1.00 0.00 C ATOM 1531 C LYS A 104 -0.850 -8.156 9.608 1.00 0.00 C ATOM 1532 O LYS A 104 0.002 -8.765 8.988 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.435 -9.211 11.785 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.952 -8.135 12.742 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.672 -8.794 13.921 1.00 0.00 C ATOM 1536 CE LYS A 104 -1.831 -8.628 15.187 1.00 0.00 C ATOM 1537 NZ LYS A 104 -2.584 -9.161 16.356 1.00 0.00 N ATOM 0 H LYS A 104 -1.777 -11.017 10.049 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.854 -8.339 10.443 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.782 -10.194 12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.345 -9.236 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.122 -7.528 13.104 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.632 -7.465 12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.653 -8.341 14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.836 -9.852 13.716 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.884 -9.157 15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.593 -7.576 15.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.013 -9.048 17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.477 -8.638 16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.789 -10.169 16.206 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.856 -6.855 9.628 1.00 0.00 N ATOM 1552 CA VAL A 105 0.206 -6.126 8.881 1.00 0.00 C ATOM 1553 C VAL A 105 0.428 -4.732 9.445 1.00 0.00 C ATOM 1554 O VAL A 105 -0.501 -4.026 9.784 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.199 -5.963 7.400 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.668 -7.302 6.827 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.326 -4.921 7.257 1.00 0.00 C ATOM 0 H VAL A 105 -1.535 -6.273 10.118 1.00 0.00 H new ATOM 0 HA VAL A 105 1.119 -6.713 8.976 1.00 0.00 H new ATOM 0 HB VAL A 105 0.675 -5.620 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.950 -7.172 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.140 -8.030 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.528 -7.659 7.393 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.597 -4.820 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.196 -5.246 7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.982 -3.959 7.637 1.00 0.00 H new ATOM 1567 N LYS A 106 1.644 -4.292 9.426 1.00 0.00 N ATOM 1568 CA LYS A 106 1.918 -2.902 9.822 1.00 0.00 C ATOM 1569 C LYS A 106 1.504 -2.124 8.588 1.00 0.00 C ATOM 1570 O LYS A 106 1.558 -2.661 7.505 1.00 0.00 O ATOM 1571 CB LYS A 106 3.422 -2.698 10.058 1.00 0.00 C ATOM 1572 CG LYS A 106 3.735 -2.689 11.553 1.00 0.00 C ATOM 1573 CD LYS A 106 4.070 -4.113 12.006 1.00 0.00 C ATOM 1574 CE LYS A 106 4.410 -4.113 13.497 1.00 0.00 C ATOM 1575 NZ LYS A 106 5.887 -4.018 13.675 1.00 0.00 N ATOM 0 H LYS A 106 2.461 -4.838 9.152 1.00 0.00 H new ATOM 0 HA LYS A 106 1.406 -2.607 10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.984 -3.493 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.742 -1.758 9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.573 -2.023 11.757 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.881 -2.308 12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.224 -4.774 11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 106 4.912 -4.499 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 106 3.920 -3.275 13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.035 -5.023 13.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.115 -4.018 14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.345 -4.832 13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.233 -3.138 13.243 1.00 0.00 H new ATOM 1589 N VAL A 107 1.076 -0.911 8.693 1.00 0.00 N ATOM 1590 CA VAL A 107 0.675 -0.201 7.444 1.00 0.00 C ATOM 1591 C VAL A 107 1.370 1.153 7.342 1.00 0.00 C ATOM 1592 O VAL A 107 1.686 1.784 8.337 1.00 0.00 O ATOM 1593 CB VAL A 107 -0.851 0.019 7.431 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.562 -1.270 7.804 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.242 1.115 8.432 1.00 0.00 C ATOM 0 H VAL A 107 0.984 -0.383 9.561 1.00 0.00 H new ATOM 0 HA VAL A 107 0.970 -0.818 6.596 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.146 0.326 6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.640 -1.107 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.305 -2.048 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.252 -1.581 8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.322 1.258 8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.935 0.818 9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.747 2.048 8.162 1.00 0.00 H new ATOM 1605 N HIS A 108 1.537 1.624 6.147 1.00 0.00 N ATOM 1606 CA HIS A 108 2.133 2.966 5.952 1.00 0.00 C ATOM 1607 C HIS A 108 1.501 3.565 4.711 1.00 0.00 C ATOM 1608 O HIS A 108 1.496 2.963 3.669 1.00 0.00 O ATOM 1609 CB HIS A 108 3.639 2.864 5.754 1.00 0.00 C ATOM 1610 CG HIS A 108 4.275 4.178 6.112 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.646 4.323 6.253 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.741 5.420 6.363 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.889 5.607 6.575 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.762 6.319 6.655 1.00 0.00 N ATOM 0 H HIS A 108 1.284 1.134 5.289 1.00 0.00 H new ATOM 0 HA HIS A 108 1.950 3.587 6.829 1.00 0.00 H new ATOM 0 HB2 HIS A 108 4.047 2.068 6.377 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.865 2.607 4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.689 5.661 6.337 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.875 6.012 6.748 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.670 7.309 6.882 1.00 0.00 H new ATOM 1622 N MET A 109 0.944 4.725 4.811 1.00 0.00 N ATOM 1623 CA MET A 109 0.298 5.325 3.617 1.00 0.00 C ATOM 1624 C MET A 109 0.736 6.784 3.498 1.00 0.00 C ATOM 1625 O MET A 109 0.610 7.541 4.440 1.00 0.00 O ATOM 1626 CB MET A 109 -1.240 5.264 3.736 1.00 0.00 C ATOM 1627 CG MET A 109 -1.707 4.167 4.720 1.00 0.00 C ATOM 1628 SD MET A 109 -3.322 4.646 5.380 1.00 0.00 S ATOM 1629 CE MET A 109 -4.320 3.493 4.409 1.00 0.00 C ATOM 0 H MET A 109 0.905 5.287 5.661 1.00 0.00 H new ATOM 0 HA MET A 109 0.600 4.763 2.733 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.616 6.232 4.069 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.671 5.075 2.753 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.775 3.205 4.212 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.986 4.050 5.529 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.193 3.192 4.987 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.644 3.978 3.488 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.725 2.613 4.165 1.00 0.00 H new ATOM 1639 N LYS A 110 1.248 7.207 2.364 1.00 0.00 N ATOM 1640 CA LYS A 110 1.668 8.641 2.271 1.00 0.00 C ATOM 1641 C LYS A 110 1.259 9.223 0.915 1.00 0.00 C ATOM 1642 O LYS A 110 1.049 8.509 -0.039 1.00 0.00 O ATOM 1643 CB LYS A 110 3.181 8.751 2.445 1.00 0.00 C ATOM 1644 CG LYS A 110 3.526 10.110 3.054 1.00 0.00 C ATOM 1645 CD LYS A 110 5.047 10.263 3.141 1.00 0.00 C ATOM 1646 CE LYS A 110 5.392 11.604 3.794 1.00 0.00 C ATOM 1647 NZ LYS A 110 5.650 12.619 2.733 1.00 0.00 N ATOM 0 H LYS A 110 1.389 6.643 1.526 1.00 0.00 H new ATOM 0 HA LYS A 110 1.174 9.205 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.543 7.949 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.678 8.635 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.104 10.910 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.084 10.198 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.472 9.444 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.486 10.209 2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.573 11.931 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.270 11.496 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.885 13.531 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.445 12.307 2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.800 12.728 2.143 1.00 0.00 H new ATOM 1661 N LYS A 111 1.139 10.519 0.825 1.00 0.00 N ATOM 1662 CA LYS A 111 0.731 11.144 -0.464 1.00 0.00 C ATOM 1663 C LYS A 111 1.909 11.134 -1.434 1.00 0.00 C ATOM 1664 O LYS A 111 2.740 12.021 -1.434 1.00 0.00 O ATOM 1665 CB LYS A 111 0.268 12.586 -0.223 1.00 0.00 C ATOM 1666 CG LYS A 111 1.257 13.312 0.696 1.00 0.00 C ATOM 1667 CD LYS A 111 1.044 14.822 0.583 1.00 0.00 C ATOM 1668 CE LYS A 111 2.210 15.448 -0.183 1.00 0.00 C ATOM 1669 NZ LYS A 111 1.855 16.843 -0.570 1.00 0.00 N ATOM 0 H LYS A 111 1.306 11.173 1.590 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.093 10.574 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.188 13.114 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.725 12.587 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.115 12.990 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.280 13.057 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.105 15.030 0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.969 15.264 1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.108 15.447 0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.434 14.858 -1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.724 17.401 -0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.321 16.830 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.272 17.273 0.176 1.00 0.00 H new ATOM 1683 N ALA A 112 1.987 10.134 -2.267 1.00 0.00 N ATOM 1684 CA ALA A 112 3.107 10.062 -3.241 1.00 0.00 C ATOM 1685 C ALA A 112 3.181 11.367 -4.036 1.00 0.00 C ATOM 1686 O ALA A 112 2.221 11.778 -4.657 1.00 0.00 O ATOM 1687 CB ALA A 112 2.865 8.902 -4.196 1.00 0.00 C ATOM 0 H ALA A 112 1.321 9.363 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 112 4.045 9.911 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.684 8.844 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.811 7.971 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.927 9.059 -4.728 1.00 0.00 H new ATOM 1693 N LEU A 113 4.305 12.028 -4.020 1.00 0.00 N ATOM 1694 CA LEU A 113 4.419 13.307 -4.776 1.00 0.00 C ATOM 1695 C LEU A 113 5.331 13.120 -5.995 1.00 0.00 C ATOM 1696 O LEU A 113 5.375 13.954 -6.877 1.00 0.00 O ATOM 1697 CB LEU A 113 4.993 14.394 -3.864 1.00 0.00 C ATOM 1698 CG LEU A 113 6.415 14.016 -3.443 1.00 0.00 C ATOM 1699 CD1 LEU A 113 7.422 14.756 -4.325 1.00 0.00 C ATOM 1700 CD2 LEU A 113 6.636 14.409 -1.980 1.00 0.00 C ATOM 0 H LEU A 113 5.146 11.740 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 113 3.428 13.607 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.000 15.352 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.362 14.514 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 113 6.553 12.941 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.435 14.487 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.266 14.478 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.284 15.831 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.649 14.140 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.498 15.484 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.919 13.883 -1.350 1.00 0.00 H new ATOM 1742 N SER A 117 0.149 9.899 -6.247 1.00 0.00 N ATOM 1743 CA SER A 117 -0.912 10.548 -5.407 1.00 0.00 C ATOM 1744 C SER A 117 -0.931 9.935 -3.998 1.00 0.00 C ATOM 1745 O SER A 117 -0.423 10.510 -3.055 1.00 0.00 O ATOM 1746 CB SER A 117 -2.292 10.345 -6.042 1.00 0.00 C ATOM 1747 OG SER A 117 -2.637 11.504 -6.790 1.00 0.00 O ATOM 0 HA SER A 117 -0.685 11.612 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.282 9.469 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 117 -3.038 10.161 -5.269 1.00 0.00 H new ATOM 0 HG SER A 117 -3.518 11.379 -7.200 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.536 8.785 -3.849 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.620 8.139 -2.497 1.00 0.00 C ATOM 1755 C TYR A 118 -1.048 6.725 -2.576 1.00 0.00 C ATOM 1756 O TYR A 118 -1.338 5.984 -3.492 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.094 8.052 -2.069 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.808 9.306 -2.463 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.697 10.460 -1.686 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.573 9.307 -3.624 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.362 11.623 -2.079 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -5.234 10.461 -4.022 1.00 0.00 C ATOM 1763 CZ TYR A 118 -5.132 11.627 -3.251 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.788 12.778 -3.644 1.00 0.00 O ATOM 0 H TYR A 118 -1.978 8.261 -4.605 1.00 0.00 H new ATOM 0 HA TYR A 118 -1.055 8.729 -1.776 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.568 7.190 -2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.162 7.907 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.100 10.453 -0.786 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.653 8.408 -4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.283 12.519 -1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.826 10.460 -4.925 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.275 12.609 -4.478 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.252 6.333 -1.622 1.00 0.00 N ATOM 1775 CA TRP A 119 0.311 4.959 -1.660 1.00 0.00 C ATOM 1776 C TRP A 119 0.226 4.312 -0.292 1.00 0.00 C ATOM 1777 O TRP A 119 0.242 4.973 0.716 1.00 0.00 O ATOM 1778 CB TRP A 119 1.749 4.987 -2.188 1.00 0.00 C ATOM 1779 CG TRP A 119 2.659 5.783 -1.321 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.219 6.946 -1.669 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.162 5.468 -0.009 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.040 7.378 -0.658 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.039 6.492 0.403 1.00 0.00 C ATOM 1784 CE3 TRP A 119 2.933 4.403 0.844 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.678 6.444 1.640 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.568 4.337 2.093 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.440 5.361 2.491 1.00 0.00 C ATOM 0 H TRP A 119 0.031 6.901 -0.823 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.281 4.352 -2.346 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.125 3.967 -2.263 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.755 5.404 -3.195 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.051 7.465 -2.601 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.581 8.242 -0.686 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.258 3.614 0.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.350 7.235 1.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.386 3.498 2.748 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.927 5.313 3.454 1.00 0.00 H new ATOM 1798 N VAL A 120 0.109 3.007 -0.259 1.00 0.00 N ATOM 1799 CA VAL A 120 0.001 2.291 1.045 1.00 0.00 C ATOM 1800 C VAL A 120 0.855 1.014 1.025 1.00 0.00 C ATOM 1801 O VAL A 120 0.489 0.020 0.430 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.463 1.901 1.315 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.546 1.143 2.642 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.334 3.157 1.405 1.00 0.00 C ATOM 0 H VAL A 120 0.084 2.407 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 120 0.357 2.958 1.830 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.820 1.272 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.581 0.864 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.933 0.244 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.183 1.780 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.368 2.870 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.977 3.790 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.278 3.707 0.465 1.00 0.00 H new ATOM 1814 N PHE A 121 1.976 1.027 1.696 1.00 0.00 N ATOM 1815 CA PHE A 121 2.834 -0.187 1.751 1.00 0.00 C ATOM 1816 C PHE A 121 2.391 -1.038 2.935 1.00 0.00 C ATOM 1817 O PHE A 121 2.106 -0.525 3.999 1.00 0.00 O ATOM 1818 CB PHE A 121 4.299 0.201 1.972 1.00 0.00 C ATOM 1819 CG PHE A 121 4.667 1.408 1.140 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.063 1.622 -0.105 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.638 2.299 1.609 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.428 2.721 -0.882 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.994 3.408 0.834 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.390 3.616 -0.411 1.00 0.00 C ATOM 0 H PHE A 121 2.334 1.832 2.210 1.00 0.00 H new ATOM 0 HA PHE A 121 2.739 -0.730 0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.467 0.416 3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.945 -0.637 1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.312 0.934 -0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.111 2.132 2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.967 2.879 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.736 4.104 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.669 4.471 -1.009 1.00 0.00 H new ATOM 1834 N VAL A 122 2.321 -2.326 2.769 1.00 0.00 N ATOM 1835 CA VAL A 122 1.890 -3.176 3.900 1.00 0.00 C ATOM 1836 C VAL A 122 3.059 -4.017 4.414 1.00 0.00 C ATOM 1837 O VAL A 122 3.524 -4.927 3.759 1.00 0.00 O ATOM 1838 CB VAL A 122 0.724 -4.074 3.434 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.801 -5.480 4.054 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.585 -3.426 3.861 1.00 0.00 C ATOM 0 H VAL A 122 2.542 -2.821 1.905 1.00 0.00 H new ATOM 0 HA VAL A 122 1.551 -2.548 4.724 1.00 0.00 H new ATOM 0 HB VAL A 122 0.784 -4.177 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.038 -6.080 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.737 -5.956 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.758 -5.401 5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.421 -4.048 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.604 -3.325 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.669 -2.440 3.404 1.00 0.00 H new ATOM 1850 N LYS A 123 3.474 -3.757 5.615 1.00 0.00 N ATOM 1851 CA LYS A 123 4.553 -4.584 6.222 1.00 0.00 C ATOM 1852 C LYS A 123 3.881 -5.844 6.761 1.00 0.00 C ATOM 1853 O LYS A 123 2.774 -5.788 7.248 1.00 0.00 O ATOM 1854 CB LYS A 123 5.227 -3.813 7.370 1.00 0.00 C ATOM 1855 CG LYS A 123 6.706 -3.545 7.047 1.00 0.00 C ATOM 1856 CD LYS A 123 6.816 -2.187 6.339 1.00 0.00 C ATOM 1857 CE LYS A 123 8.270 -1.809 5.991 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.204 -2.945 6.258 1.00 0.00 N ATOM 0 H LYS A 123 3.115 -3.008 6.207 1.00 0.00 H new ATOM 0 HA LYS A 123 5.322 -4.829 5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.708 -2.869 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 123 5.149 -4.385 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.298 -3.543 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.103 -4.336 6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.223 -2.210 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.388 -1.414 6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.332 -1.523 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.573 -0.941 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.179 -2.650 6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.135 -3.223 7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.949 -3.753 5.656 1.00 0.00 H new ATOM 1872 N ARG A 124 4.503 -6.984 6.663 1.00 0.00 N ATOM 1873 CA ARG A 124 3.828 -8.215 7.172 1.00 0.00 C ATOM 1874 C ARG A 124 4.356 -8.551 8.568 1.00 0.00 C ATOM 1875 O ARG A 124 5.544 -8.527 8.821 1.00 0.00 O ATOM 1876 CB ARG A 124 4.073 -9.383 6.209 1.00 0.00 C ATOM 1877 CG ARG A 124 3.440 -10.657 6.773 1.00 0.00 C ATOM 1878 CD ARG A 124 2.694 -11.394 5.660 1.00 0.00 C ATOM 1879 NE ARG A 124 1.650 -12.271 6.261 1.00 0.00 N ATOM 1880 CZ ARG A 124 1.436 -13.462 5.770 1.00 0.00 C ATOM 1881 NH1 ARG A 124 2.212 -14.456 6.107 1.00 0.00 N ATOM 1882 NH2 ARG A 124 0.449 -13.657 4.941 1.00 0.00 N ATOM 0 H ARG A 124 5.431 -7.120 6.262 1.00 0.00 H new ATOM 0 HA ARG A 124 2.754 -8.039 7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.648 -9.156 5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.143 -9.530 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.210 -11.301 7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.753 -10.407 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.235 -10.678 4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.392 -11.991 5.073 1.00 0.00 H new ATOM 0 HE ARG A 124 1.103 -11.941 7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 124 2.986 -14.302 6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.045 -15.386 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -0.156 -12.879 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 124 0.281 -14.587 4.557 1.00 0.00 H new ATOM 1896 N VAL A 125 3.470 -8.862 9.475 1.00 0.00 N ATOM 1897 CA VAL A 125 3.898 -9.198 10.867 1.00 0.00 C ATOM 1898 C VAL A 125 3.862 -10.716 11.047 1.00 0.00 C ATOM 1899 O VAL A 125 2.792 -11.284 10.903 1.00 0.00 O ATOM 1900 CB VAL A 125 2.974 -8.539 11.921 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.766 -7.500 12.709 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.783 -7.841 11.264 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.905 -11.286 11.324 1.00 0.00 O ATOM 0 H VAL A 125 2.464 -8.898 9.313 1.00 0.00 H new ATOM 0 HA VAL A 125 4.908 -8.816 11.015 1.00 0.00 H new ATOM 0 HB VAL A 125 2.602 -9.326 12.577 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.118 -7.035 13.452 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.603 -7.985 13.211 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.144 -6.737 12.028 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.156 -7.390 12.033 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.143 -7.065 10.588 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.199 -8.570 10.701 1.00 0.00 H new