USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1018 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 55 THR OG1 : rot -58:sc= 2.04 USER MOD Set 1.2: A 57 SER OG : rot 70:sc= 1.11 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 172:sc= 0.938 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 145:sc= 0.821 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0434 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.22 (180deg=-0.385) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.35 (180deg=1.31) USER MOD Single : A 2 GLN : amide:sc= -0.726 K(o=-0.73,f=-2.7) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc=-0.00437 (180deg=-1.44!) USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.361 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0556 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.03 K(o=1,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 2.03 (180deg=-1.61!) USER MOD Single : A 29 LYS NZ :NH3+ 138:sc= 0.819 (180deg=-3.35!) USER MOD Single : A 31 GLN : amide:sc= -0.0881 K(o=-0.088,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 1.14 (180deg=1.1) USER MOD Single : A 40 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.9!) USER MOD Single : A 41 GLN : amide:sc= 0.534 K(o=0.53,f=-6.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0588 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 129:sc= 1.15 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.844 F(o=-1.6,f=-0.84) USER MOD Single : B 537 SER OG : rot 180:sc= 0 USER MOD Single : B 541 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 542 ASN : amide:sc= -3.04! C(o=-3!,f=-11!) USER MOD Single : B 548 GLN :FLIP amide:sc= -0.0213 F(o=-1.1,f=-0.021) USER MOD Single : B 549 GLN :FLIP amide:sc= -0.0171 F(o=-0.73,f=-0.017) USER MOD Single : B 550 GLN :FLIP amide:sc= -0.324 F(o=-1.3!,f=-0.32) USER MOD Single : B 553 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 555 SER OG : rot 77:sc= 1.23 USER MOD Single : B 557 MET CE :methyl -165:sc= -1.49 (180deg=-1.87) USER MOD Single : B 561 ASN : amide:sc= -0.63 K(o=-0.63,f=-9.3!) USER MOD Single : B 565 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.5!) USER MOD Single : B 567 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 572 THR OG1 : rot -96:sc= 1.27 USER MOD Single : B 577 ASN : amide:sc= 0.324 K(o=0.32,f=-1.6) USER MOD Single : B 586 SER OG : rot 180:sc= -0.0648 USER MOD Single : B 587 SER OG : rot -50:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.507 -9.930 3.532 1.00 0.00 N ATOM 2 CA MET A 1 -8.232 -10.424 4.098 1.00 0.00 C ATOM 3 C MET A 1 -7.496 -9.300 4.813 1.00 0.00 C ATOM 4 O MET A 1 -7.686 -8.123 4.507 1.00 0.00 O ATOM 5 CB MET A 1 -7.341 -11.029 3.002 1.00 0.00 C ATOM 6 CG MET A 1 -6.843 -10.027 1.969 1.00 0.00 C ATOM 7 SD MET A 1 -5.883 -10.807 0.653 1.00 0.00 S ATOM 8 CE MET A 1 -5.413 -9.383 -0.324 1.00 0.00 C ATOM 0 H1 MET A 1 -9.972 -10.696 3.004 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.129 -9.613 4.303 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.317 -9.134 2.891 1.00 0.00 H new ATOM 0 HA MET A 1 -8.465 -11.207 4.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.481 -11.505 3.472 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.898 -11.813 2.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.695 -9.507 1.532 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.230 -9.274 2.464 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.970 -9.716 -1.263 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.295 -8.778 -0.533 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.687 -8.786 0.228 1.00 0.00 H new ATOM 20 N GLN A 2 -6.658 -9.676 5.761 1.00 0.00 N ATOM 21 CA GLN A 2 -5.892 -8.710 6.531 1.00 0.00 C ATOM 22 C GLN A 2 -4.500 -8.554 5.947 1.00 0.00 C ATOM 23 O GLN A 2 -3.988 -9.468 5.297 1.00 0.00 O ATOM 24 CB GLN A 2 -5.812 -9.135 7.995 1.00 0.00 C ATOM 25 CG GLN A 2 -7.040 -8.746 8.802 1.00 0.00 C ATOM 26 CD GLN A 2 -7.089 -7.262 9.105 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.058 -6.624 9.314 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.287 -6.702 9.133 1.00 0.00 N ATOM 0 H GLN A 2 -6.489 -10.648 6.018 1.00 0.00 H new ATOM 0 HA GLN A 2 -6.400 -7.747 6.480 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.680 -10.216 8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.930 -8.684 8.449 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.937 -9.031 8.253 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.048 -9.305 9.738 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.118 -7.266 8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.380 -5.706 9.333 1.00 0.00 H new ATOM 37 N ILE A 3 -3.893 -7.396 6.174 1.00 0.00 N ATOM 38 CA ILE A 3 -2.559 -7.109 5.673 1.00 0.00 C ATOM 39 C ILE A 3 -1.847 -6.144 6.606 1.00 0.00 C ATOM 40 O ILE A 3 -2.458 -5.566 7.509 1.00 0.00 O ATOM 41 CB ILE A 3 -2.563 -6.481 4.255 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.525 -5.291 4.197 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.911 -7.516 3.194 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.219 -4.317 3.079 1.00 0.00 C ATOM 0 H ILE A 3 -4.311 -6.634 6.708 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.045 -8.069 5.622 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.557 -6.119 4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.542 -5.663 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.491 -4.761 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.906 -7.045 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.176 -8.320 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.901 -7.925 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.941 -3.501 3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.214 -3.916 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.281 -4.832 2.120 1.00 0.00 H new ATOM 56 N PHE A 4 -0.564 -5.968 6.373 1.00 0.00 N ATOM 57 CA PHE A 4 0.244 -5.062 7.166 1.00 0.00 C ATOM 58 C PHE A 4 0.923 -4.062 6.252 1.00 0.00 C ATOM 59 O PHE A 4 1.398 -4.425 5.180 1.00 0.00 O ATOM 60 CB PHE A 4 1.290 -5.831 7.974 1.00 0.00 C ATOM 61 CG PHE A 4 0.739 -6.448 9.226 1.00 0.00 C ATOM 62 CD1 PHE A 4 0.549 -5.679 10.361 1.00 0.00 C ATOM 63 CD2 PHE A 4 0.407 -7.792 9.265 1.00 0.00 C ATOM 64 CE1 PHE A 4 0.038 -6.238 11.514 1.00 0.00 C ATOM 65 CE2 PHE A 4 -0.105 -8.356 10.417 1.00 0.00 C ATOM 66 CZ PHE A 4 -0.290 -7.579 11.543 1.00 0.00 C ATOM 0 H PHE A 4 -0.052 -6.446 5.632 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.404 -4.535 7.866 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.717 -6.615 7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.103 -5.155 8.238 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.804 -4.630 10.344 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.550 -8.404 8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.105 -5.627 12.393 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.361 -9.405 10.437 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.690 -8.019 12.444 1.00 0.00 H new ATOM 76 N VAL A 5 0.952 -2.809 6.663 1.00 0.00 N ATOM 77 CA VAL A 5 1.580 -1.765 5.877 1.00 0.00 C ATOM 78 C VAL A 5 2.674 -1.099 6.695 1.00 0.00 C ATOM 79 O VAL A 5 2.399 -0.405 7.674 1.00 0.00 O ATOM 80 CB VAL A 5 0.561 -0.703 5.406 1.00 0.00 C ATOM 81 CG1 VAL A 5 1.253 0.407 4.629 1.00 0.00 C ATOM 82 CG2 VAL A 5 -0.529 -1.344 4.558 1.00 0.00 C ATOM 0 H VAL A 5 0.545 -2.488 7.542 1.00 0.00 H new ATOM 0 HA VAL A 5 2.007 -2.230 4.988 1.00 0.00 H new ATOM 0 HB VAL A 5 0.099 -0.264 6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.514 1.142 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.993 0.891 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.748 -0.015 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.236 -0.580 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.080 -1.814 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.052 -2.098 5.147 1.00 0.00 H new ATOM 92 N LYS A 6 3.914 -1.340 6.310 1.00 0.00 N ATOM 93 CA LYS A 6 5.051 -0.771 7.009 1.00 0.00 C ATOM 94 C LYS A 6 5.744 0.259 6.133 1.00 0.00 C ATOM 95 O LYS A 6 6.190 -0.054 5.030 1.00 0.00 O ATOM 96 CB LYS A 6 6.034 -1.871 7.413 1.00 0.00 C ATOM 97 CG LYS A 6 6.978 -1.459 8.529 1.00 0.00 C ATOM 98 CD LYS A 6 8.007 -2.539 8.818 1.00 0.00 C ATOM 99 CE LYS A 6 8.637 -2.348 10.187 1.00 0.00 C ATOM 100 NZ LYS A 6 7.756 -2.845 11.278 1.00 0.00 N ATOM 0 H LYS A 6 4.159 -1.928 5.514 1.00 0.00 H new ATOM 0 HA LYS A 6 4.692 -0.278 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.473 -2.751 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.620 -2.162 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.487 -0.535 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.405 -1.250 9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.533 -3.519 8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.783 -2.520 8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.591 -2.873 10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.849 -1.290 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.274 -2.822 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.913 -2.239 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.464 -3.822 11.071 1.00 0.00 H new ATOM 114 N THR A 7 5.819 1.482 6.621 1.00 0.00 N ATOM 115 CA THR A 7 6.451 2.562 5.887 1.00 0.00 C ATOM 116 C THR A 7 7.947 2.597 6.166 1.00 0.00 C ATOM 117 O THR A 7 8.419 1.996 7.136 1.00 0.00 O ATOM 118 CB THR A 7 5.843 3.923 6.272 1.00 0.00 C ATOM 119 OG1 THR A 7 5.997 4.140 7.678 1.00 0.00 O ATOM 120 CG2 THR A 7 4.368 3.988 5.905 1.00 0.00 C ATOM 0 H THR A 7 5.447 1.754 7.531 1.00 0.00 H new ATOM 0 HA THR A 7 6.279 2.378 4.826 1.00 0.00 H new ATOM 0 HB THR A 7 6.369 4.700 5.718 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.611 5.008 7.919 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.965 4.960 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.254 3.847 4.830 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.827 3.203 6.433 1.00 0.00 H new ATOM 128 N LEU A 8 8.690 3.313 5.327 1.00 0.00 N ATOM 129 CA LEU A 8 10.133 3.432 5.505 1.00 0.00 C ATOM 130 C LEU A 8 10.461 4.203 6.779 1.00 0.00 C ATOM 131 O LEU A 8 11.565 4.102 7.312 1.00 0.00 O ATOM 132 CB LEU A 8 10.805 4.112 4.297 1.00 0.00 C ATOM 133 CG LEU A 8 9.941 5.067 3.458 1.00 0.00 C ATOM 134 CD1 LEU A 8 9.381 6.206 4.297 1.00 0.00 C ATOM 135 CD2 LEU A 8 10.764 5.629 2.313 1.00 0.00 C ATOM 0 H LEU A 8 8.319 3.817 4.521 1.00 0.00 H new ATOM 0 HA LEU A 8 10.528 2.420 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.669 4.669 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.184 3.331 3.637 1.00 0.00 H new ATOM 0 HG LEU A 8 9.098 4.498 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.776 6.859 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.763 5.799 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.202 6.778 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.148 6.306 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.620 6.173 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.116 4.812 1.683 1.00 0.00 H new ATOM 147 N THR A 9 9.493 4.962 7.272 1.00 0.00 N ATOM 148 CA THR A 9 9.676 5.750 8.476 1.00 0.00 C ATOM 149 C THR A 9 9.580 4.875 9.727 1.00 0.00 C ATOM 150 O THR A 9 9.806 5.341 10.843 1.00 0.00 O ATOM 151 CB THR A 9 8.636 6.882 8.547 1.00 0.00 C ATOM 152 OG1 THR A 9 8.058 7.091 7.247 1.00 0.00 O ATOM 153 CG2 THR A 9 9.277 8.174 9.025 1.00 0.00 C ATOM 0 H THR A 9 8.568 5.047 6.851 1.00 0.00 H new ATOM 0 HA THR A 9 10.673 6.188 8.437 1.00 0.00 H new ATOM 0 HB THR A 9 7.860 6.592 9.256 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.395 7.811 7.296 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.523 8.960 9.067 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.701 8.024 10.018 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.067 8.466 8.333 1.00 0.00 H new ATOM 161 N GLY A 10 9.243 3.605 9.529 1.00 0.00 N ATOM 162 CA GLY A 10 9.144 2.683 10.643 1.00 0.00 C ATOM 163 C GLY A 10 7.747 2.593 11.224 1.00 0.00 C ATOM 164 O GLY A 10 7.575 2.175 12.370 1.00 0.00 O ATOM 0 H GLY A 10 9.037 3.199 8.616 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.458 1.692 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.836 2.994 11.426 1.00 0.00 H new ATOM 168 N LYS A 11 6.746 2.983 10.448 1.00 0.00 N ATOM 169 CA LYS A 11 5.368 2.919 10.912 1.00 0.00 C ATOM 170 C LYS A 11 4.727 1.630 10.416 1.00 0.00 C ATOM 171 O LYS A 11 4.939 1.229 9.273 1.00 0.00 O ATOM 172 CB LYS A 11 4.571 4.136 10.428 1.00 0.00 C ATOM 173 CG LYS A 11 3.345 4.444 11.276 1.00 0.00 C ATOM 174 CD LYS A 11 2.712 5.772 10.886 1.00 0.00 C ATOM 175 CE LYS A 11 1.847 6.337 12.006 1.00 0.00 C ATOM 176 NZ LYS A 11 0.490 5.729 12.042 1.00 0.00 N ATOM 0 H LYS A 11 6.861 3.345 9.501 1.00 0.00 H new ATOM 0 HA LYS A 11 5.361 2.929 12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.225 5.008 10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.256 3.966 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.613 3.644 11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.627 4.470 12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.495 6.488 10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.105 5.636 9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.342 6.169 12.962 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.755 7.416 11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.228 6.479 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.381 5.077 11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.367 5.206 12.933 1.00 0.00 H new ATOM 190 N THR A 12 3.953 0.989 11.273 1.00 0.00 N ATOM 191 CA THR A 12 3.295 -0.260 10.920 1.00 0.00 C ATOM 192 C THR A 12 1.790 -0.139 11.131 1.00 0.00 C ATOM 193 O THR A 12 1.319 0.028 12.256 1.00 0.00 O ATOM 194 CB THR A 12 3.851 -1.437 11.748 1.00 0.00 C ATOM 195 OG1 THR A 12 5.288 -1.408 11.731 1.00 0.00 O ATOM 196 CG2 THR A 12 3.359 -2.769 11.199 1.00 0.00 C ATOM 0 H THR A 12 3.763 1.312 12.222 1.00 0.00 H new ATOM 0 HA THR A 12 3.495 -0.460 9.867 1.00 0.00 H new ATOM 0 HB THR A 12 3.495 -1.333 12.773 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.632 -1.714 12.596 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.765 -3.583 11.800 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.270 -2.798 11.237 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.689 -2.881 10.166 1.00 0.00 H new ATOM 204 N ILE A 13 1.039 -0.192 10.042 1.00 0.00 N ATOM 205 CA ILE A 13 -0.407 -0.067 10.110 1.00 0.00 C ATOM 206 C ILE A 13 -1.097 -1.333 9.617 1.00 0.00 C ATOM 207 O ILE A 13 -0.720 -1.898 8.591 1.00 0.00 O ATOM 208 CB ILE A 13 -0.911 1.127 9.268 1.00 0.00 C ATOM 209 CG1 ILE A 13 0.095 2.282 9.308 1.00 0.00 C ATOM 210 CG2 ILE A 13 -2.270 1.593 9.772 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.048 3.250 8.155 1.00 0.00 C ATOM 0 H ILE A 13 1.408 -0.321 9.100 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.655 0.098 11.159 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.014 0.798 8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.026 2.826 10.245 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.105 1.873 9.305 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.613 2.434 9.170 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.987 0.775 9.694 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.185 1.903 10.813 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.696 4.041 8.249 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.103 2.720 7.214 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.046 3.688 8.169 1.00 0.00 H new ATOM 223 N THR A 14 -2.092 -1.778 10.362 1.00 0.00 N ATOM 224 CA THR A 14 -2.856 -2.956 9.993 1.00 0.00 C ATOM 225 C THR A 14 -4.104 -2.534 9.219 1.00 0.00 C ATOM 226 O THR A 14 -4.873 -1.686 9.681 1.00 0.00 O ATOM 227 CB THR A 14 -3.260 -3.776 11.233 1.00 0.00 C ATOM 228 OG1 THR A 14 -2.202 -3.752 12.205 1.00 0.00 O ATOM 229 CG2 THR A 14 -3.559 -5.216 10.852 1.00 0.00 C ATOM 0 H THR A 14 -2.392 -1.338 11.232 1.00 0.00 H new ATOM 0 HA THR A 14 -2.228 -3.587 9.365 1.00 0.00 H new ATOM 0 HB THR A 14 -4.159 -3.329 11.658 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.569 -4.476 12.017 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.842 -5.777 11.743 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.378 -5.240 10.133 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.672 -5.666 10.407 1.00 0.00 H new ATOM 237 N LEU A 15 -4.296 -3.101 8.034 1.00 0.00 N ATOM 238 CA LEU A 15 -5.445 -2.755 7.205 1.00 0.00 C ATOM 239 C LEU A 15 -6.115 -4.000 6.642 1.00 0.00 C ATOM 240 O LEU A 15 -5.560 -5.098 6.698 1.00 0.00 O ATOM 241 CB LEU A 15 -5.028 -1.838 6.048 1.00 0.00 C ATOM 242 CG LEU A 15 -4.756 -0.379 6.427 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.282 -0.167 6.730 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.209 0.552 5.315 1.00 0.00 C ATOM 0 H LEU A 15 -3.674 -3.799 7.627 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.156 -2.230 7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.130 -2.249 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.812 -1.858 5.291 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.326 -0.148 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.112 0.876 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.986 -0.807 7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.690 -0.418 5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.008 1.585 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.666 0.317 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.278 0.423 5.146 1.00 0.00 H new ATOM 256 N GLU A 16 -7.308 -3.815 6.097 1.00 0.00 N ATOM 257 CA GLU A 16 -8.064 -4.905 5.509 1.00 0.00 C ATOM 258 C GLU A 16 -8.288 -4.636 4.022 1.00 0.00 C ATOM 259 O GLU A 16 -8.582 -3.505 3.623 1.00 0.00 O ATOM 260 CB GLU A 16 -9.402 -5.060 6.232 1.00 0.00 C ATOM 261 CG GLU A 16 -10.166 -6.316 5.852 1.00 0.00 C ATOM 262 CD GLU A 16 -11.586 -6.307 6.374 1.00 0.00 C ATOM 263 OE1 GLU A 16 -12.374 -5.434 5.953 1.00 0.00 O ATOM 264 OE2 GLU A 16 -11.924 -7.178 7.204 1.00 0.00 O ATOM 0 H GLU A 16 -7.775 -2.909 6.051 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.502 -5.833 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.224 -5.067 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.023 -4.190 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.181 -6.414 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.643 -7.189 6.244 1.00 0.00 H new ATOM 271 N VAL A 17 -8.168 -5.676 3.209 1.00 0.00 N ATOM 272 CA VAL A 17 -8.334 -5.561 1.763 1.00 0.00 C ATOM 273 C VAL A 17 -8.887 -6.863 1.203 1.00 0.00 C ATOM 274 O VAL A 17 -9.041 -7.837 1.934 1.00 0.00 O ATOM 275 CB VAL A 17 -7.001 -5.244 1.038 1.00 0.00 C ATOM 276 CG1 VAL A 17 -6.545 -3.818 1.311 1.00 0.00 C ATOM 277 CG2 VAL A 17 -5.924 -6.239 1.437 1.00 0.00 C ATOM 0 H VAL A 17 -7.954 -6.620 3.529 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.024 -4.735 1.588 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.176 -5.336 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.608 -3.629 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.304 -3.120 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.396 -3.682 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.996 -5.999 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.761 -6.186 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.241 -7.246 1.167 1.00 0.00 H new ATOM 287 N GLU A 18 -9.178 -6.884 -0.085 1.00 0.00 N ATOM 288 CA GLU A 18 -9.700 -8.081 -0.728 1.00 0.00 C ATOM 289 C GLU A 18 -8.777 -8.508 -1.866 1.00 0.00 C ATOM 290 O GLU A 18 -8.012 -7.696 -2.370 1.00 0.00 O ATOM 291 CB GLU A 18 -11.117 -7.830 -1.255 1.00 0.00 C ATOM 292 CG GLU A 18 -12.198 -8.057 -0.213 1.00 0.00 C ATOM 293 CD GLU A 18 -12.185 -9.467 0.341 1.00 0.00 C ATOM 294 OE1 GLU A 18 -12.776 -10.363 -0.291 1.00 0.00 O ATOM 295 OE2 GLU A 18 -11.581 -9.689 1.409 1.00 0.00 O ATOM 0 H GLU A 18 -9.062 -6.086 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.744 -8.884 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.184 -6.805 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.301 -8.485 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.065 -7.348 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.173 -7.853 -0.656 1.00 0.00 H new ATOM 302 N PRO A 19 -8.820 -9.785 -2.278 1.00 0.00 N ATOM 303 CA PRO A 19 -7.976 -10.287 -3.371 1.00 0.00 C ATOM 304 C PRO A 19 -8.218 -9.534 -4.676 1.00 0.00 C ATOM 305 O PRO A 19 -7.328 -9.419 -5.518 1.00 0.00 O ATOM 306 CB PRO A 19 -8.400 -11.753 -3.514 1.00 0.00 C ATOM 307 CG PRO A 19 -9.014 -12.106 -2.205 1.00 0.00 C ATOM 308 CD PRO A 19 -9.664 -10.849 -1.706 1.00 0.00 C ATOM 0 HA PRO A 19 -6.915 -10.159 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.111 -11.880 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.544 -12.392 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.746 -12.906 -2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.260 -12.462 -1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.697 -10.769 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.680 -10.809 -0.617 1.00 0.00 H new ATOM 316 N SER A 20 -9.428 -9.013 -4.830 1.00 0.00 N ATOM 317 CA SER A 20 -9.800 -8.268 -6.020 1.00 0.00 C ATOM 318 C SER A 20 -9.714 -6.763 -5.778 1.00 0.00 C ATOM 319 O SER A 20 -10.329 -5.974 -6.493 1.00 0.00 O ATOM 320 CB SER A 20 -11.218 -8.654 -6.436 1.00 0.00 C ATOM 321 OG SER A 20 -12.008 -8.960 -5.295 1.00 0.00 O ATOM 0 H SER A 20 -10.173 -9.095 -4.138 1.00 0.00 H new ATOM 0 HA SER A 20 -9.102 -8.517 -6.819 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.675 -7.836 -6.993 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.185 -9.515 -7.104 1.00 0.00 H new ATOM 0 HG SER A 20 -12.914 -9.203 -5.580 1.00 0.00 H new ATOM 327 N ASP A 21 -8.949 -6.368 -4.771 1.00 0.00 N ATOM 328 CA ASP A 21 -8.801 -4.955 -4.443 1.00 0.00 C ATOM 329 C ASP A 21 -7.814 -4.280 -5.386 1.00 0.00 C ATOM 330 O ASP A 21 -6.800 -4.868 -5.771 1.00 0.00 O ATOM 331 CB ASP A 21 -8.331 -4.775 -2.996 1.00 0.00 C ATOM 332 CG ASP A 21 -9.317 -3.996 -2.150 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.185 -3.306 -2.718 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.240 -4.077 -0.904 1.00 0.00 O ATOM 0 H ASP A 21 -8.423 -7.001 -4.169 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.779 -4.487 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.169 -5.755 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.370 -4.260 -2.992 1.00 0.00 H new ATOM 339 N THR A 22 -8.131 -3.057 -5.771 1.00 0.00 N ATOM 340 CA THR A 22 -7.269 -2.284 -6.647 1.00 0.00 C ATOM 341 C THR A 22 -6.213 -1.564 -5.812 1.00 0.00 C ATOM 342 O THR A 22 -6.478 -1.202 -4.665 1.00 0.00 O ATOM 343 CB THR A 22 -8.090 -1.249 -7.448 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.345 -1.821 -7.843 1.00 0.00 O ATOM 345 CG2 THR A 22 -7.334 -0.783 -8.684 1.00 0.00 C ATOM 0 H THR A 22 -8.985 -2.575 -5.489 1.00 0.00 H new ATOM 0 HA THR A 22 -6.786 -2.962 -7.351 1.00 0.00 H new ATOM 0 HB THR A 22 -8.263 -0.387 -6.804 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.861 -1.159 -8.349 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.937 -0.055 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.393 -0.322 -8.383 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.129 -1.638 -9.329 1.00 0.00 H new ATOM 353 N ILE A 23 -5.024 -1.364 -6.376 1.00 0.00 N ATOM 354 CA ILE A 23 -3.945 -0.682 -5.664 1.00 0.00 C ATOM 355 C ILE A 23 -4.410 0.693 -5.187 1.00 0.00 C ATOM 356 O ILE A 23 -4.164 1.088 -4.045 1.00 0.00 O ATOM 357 CB ILE A 23 -2.689 -0.524 -6.552 1.00 0.00 C ATOM 358 CG1 ILE A 23 -2.159 -1.895 -6.983 1.00 0.00 C ATOM 359 CG2 ILE A 23 -1.604 0.262 -5.826 1.00 0.00 C ATOM 360 CD1 ILE A 23 -1.812 -2.811 -5.830 1.00 0.00 C ATOM 0 H ILE A 23 -4.783 -1.663 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.681 -1.297 -4.804 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.974 0.034 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.907 -2.382 -7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.272 -1.753 -7.600 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.731 0.359 -6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.980 1.253 -5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.323 -0.263 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.444 -3.761 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.040 -2.347 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.701 -2.986 -5.224 1.00 0.00 H new ATOM 372 N GLU A 24 -5.110 1.400 -6.066 1.00 0.00 N ATOM 373 CA GLU A 24 -5.633 2.723 -5.755 1.00 0.00 C ATOM 374 C GLU A 24 -6.652 2.647 -4.617 1.00 0.00 C ATOM 375 O GLU A 24 -6.710 3.532 -3.762 1.00 0.00 O ATOM 376 CB GLU A 24 -6.278 3.329 -7.000 1.00 0.00 C ATOM 377 CG GLU A 24 -6.631 4.799 -6.857 1.00 0.00 C ATOM 378 CD GLU A 24 -7.455 5.305 -8.019 1.00 0.00 C ATOM 379 OE1 GLU A 24 -6.910 5.420 -9.136 1.00 0.00 O ATOM 380 OE2 GLU A 24 -8.655 5.583 -7.826 1.00 0.00 O ATOM 0 H GLU A 24 -5.329 1.075 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.808 3.358 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.599 3.209 -7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.183 2.770 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.183 4.949 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.715 5.385 -6.781 1.00 0.00 H new ATOM 387 N ASN A 25 -7.442 1.576 -4.606 1.00 0.00 N ATOM 388 CA ASN A 25 -8.449 1.387 -3.564 1.00 0.00 C ATOM 389 C ASN A 25 -7.781 1.261 -2.202 1.00 0.00 C ATOM 390 O ASN A 25 -8.283 1.778 -1.203 1.00 0.00 O ATOM 391 CB ASN A 25 -9.322 0.158 -3.827 1.00 0.00 C ATOM 392 CG ASN A 25 -10.649 0.248 -3.094 1.00 0.00 C ATOM 393 OD1 ASN A 25 -11.202 1.335 -2.931 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.166 -0.880 -2.638 1.00 0.00 N ATOM 0 H ASN A 25 -7.406 0.831 -5.301 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.096 2.264 -3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.503 0.062 -4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.791 -0.740 -3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.052 -0.867 -2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.679 -1.763 -2.792 1.00 0.00 H new ATOM 401 N VAL A 26 -6.643 0.573 -2.168 1.00 0.00 N ATOM 402 CA VAL A 26 -5.890 0.410 -0.931 1.00 0.00 C ATOM 403 C VAL A 26 -5.387 1.775 -0.474 1.00 0.00 C ATOM 404 O VAL A 26 -5.490 2.129 0.700 1.00 0.00 O ATOM 405 CB VAL A 26 -4.692 -0.550 -1.109 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.994 -0.798 0.220 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.144 -1.867 -1.727 1.00 0.00 C ATOM 0 H VAL A 26 -6.224 0.121 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.553 -0.025 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.980 -0.078 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.154 -1.477 0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.629 0.147 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.698 -1.243 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.285 -2.528 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.880 -2.340 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.590 -1.677 -2.703 1.00 0.00 H new ATOM 417 N LYS A 27 -4.832 2.521 -1.425 1.00 0.00 N ATOM 418 CA LYS A 27 -4.336 3.872 -1.170 1.00 0.00 C ATOM 419 C LYS A 27 -5.405 4.737 -0.505 1.00 0.00 C ATOM 420 O LYS A 27 -5.113 5.501 0.418 1.00 0.00 O ATOM 421 CB LYS A 27 -3.888 4.533 -2.472 1.00 0.00 C ATOM 422 CG LYS A 27 -2.609 3.955 -3.047 1.00 0.00 C ATOM 423 CD LYS A 27 -2.096 4.811 -4.188 1.00 0.00 C ATOM 424 CE LYS A 27 -0.702 4.398 -4.618 1.00 0.00 C ATOM 425 NZ LYS A 27 -0.088 5.407 -5.517 1.00 0.00 N ATOM 0 H LYS A 27 -4.713 2.209 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.485 3.787 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.684 4.434 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.746 5.599 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.851 3.890 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.790 2.940 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.776 4.732 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.087 5.857 -3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.074 4.263 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.748 3.435 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.515 4.928 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.837 5.934 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.488 6.067 -4.956 1.00 0.00 H new ATOM 439 N ALA A 28 -6.643 4.619 -0.982 1.00 0.00 N ATOM 440 CA ALA A 28 -7.755 5.378 -0.424 1.00 0.00 C ATOM 441 C ALA A 28 -7.957 5.016 1.042 1.00 0.00 C ATOM 442 O ALA A 28 -8.204 5.882 1.881 1.00 0.00 O ATOM 443 CB ALA A 28 -9.025 5.118 -1.223 1.00 0.00 C ATOM 0 H ALA A 28 -6.899 4.004 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.522 6.441 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.848 5.691 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.872 5.421 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.266 4.056 -1.188 1.00 0.00 H new ATOM 449 N LYS A 29 -7.853 3.724 1.335 1.00 0.00 N ATOM 450 CA LYS A 29 -7.989 3.231 2.701 1.00 0.00 C ATOM 451 C LYS A 29 -6.910 3.855 3.583 1.00 0.00 C ATOM 452 O LYS A 29 -7.188 4.316 4.690 1.00 0.00 O ATOM 453 CB LYS A 29 -7.903 1.702 2.733 1.00 0.00 C ATOM 454 CG LYS A 29 -8.992 1.021 1.919 1.00 0.00 C ATOM 455 CD LYS A 29 -8.868 -0.493 1.957 1.00 0.00 C ATOM 456 CE LYS A 29 -9.961 -1.158 1.135 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.951 -2.637 1.282 1.00 0.00 N ATOM 0 H LYS A 29 -7.674 2.997 0.642 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.967 3.518 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.929 1.392 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.966 1.363 3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.969 1.315 2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.940 1.363 0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.891 -0.790 1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.925 -0.839 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.932 -0.770 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.833 -0.898 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.928 -2.984 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.506 -3.066 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.413 -2.898 2.133 1.00 0.00 H new ATOM 471 N ILE A 30 -5.675 3.851 3.087 1.00 0.00 N ATOM 472 CA ILE A 30 -4.556 4.454 3.806 1.00 0.00 C ATOM 473 C ILE A 30 -4.805 5.950 4.013 1.00 0.00 C ATOM 474 O ILE A 30 -4.512 6.500 5.078 1.00 0.00 O ATOM 475 CB ILE A 30 -3.220 4.242 3.058 1.00 0.00 C ATOM 476 CG1 ILE A 30 -2.967 2.746 2.841 1.00 0.00 C ATOM 477 CG2 ILE A 30 -2.067 4.873 3.831 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.762 2.449 1.974 1.00 0.00 C ATOM 0 H ILE A 30 -5.424 3.437 2.189 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.482 3.961 4.775 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.285 4.729 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.833 2.266 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.850 2.300 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.135 4.713 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.245 5.943 3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.996 4.414 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.648 1.370 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.901 2.899 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.868 2.864 2.439 1.00 0.00 H new ATOM 490 N GLN A 31 -5.357 6.601 2.989 1.00 0.00 N ATOM 491 CA GLN A 31 -5.679 8.024 3.057 1.00 0.00 C ATOM 492 C GLN A 31 -6.712 8.279 4.153 1.00 0.00 C ATOM 493 O GLN A 31 -6.694 9.310 4.821 1.00 0.00 O ATOM 494 CB GLN A 31 -6.215 8.517 1.708 1.00 0.00 C ATOM 495 CG GLN A 31 -6.726 9.950 1.739 1.00 0.00 C ATOM 496 CD GLN A 31 -7.626 10.279 0.564 1.00 0.00 C ATOM 497 OE1 GLN A 31 -8.290 9.404 0.008 1.00 0.00 O ATOM 498 NE2 GLN A 31 -7.660 11.546 0.184 1.00 0.00 N ATOM 0 H GLN A 31 -5.591 6.162 2.099 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.768 8.574 3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.424 8.439 0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.023 7.860 1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.273 10.116 2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.877 10.634 1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.094 12.240 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.252 11.829 -0.597 1.00 0.00 H new ATOM 507 N ASP A 32 -7.617 7.330 4.319 1.00 0.00 N ATOM 508 CA ASP A 32 -8.652 7.435 5.339 1.00 0.00 C ATOM 509 C ASP A 32 -8.053 7.250 6.726 1.00 0.00 C ATOM 510 O ASP A 32 -8.307 8.037 7.634 1.00 0.00 O ATOM 511 CB ASP A 32 -9.746 6.389 5.106 1.00 0.00 C ATOM 512 CG ASP A 32 -10.986 6.651 5.939 1.00 0.00 C ATOM 513 OD1 ASP A 32 -10.961 6.396 7.163 1.00 0.00 O ATOM 514 OD2 ASP A 32 -11.999 7.112 5.370 1.00 0.00 O ATOM 0 H ASP A 32 -7.658 6.477 3.762 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.094 8.429 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.017 6.380 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.355 5.400 5.343 1.00 0.00 H new ATOM 519 N LYS A 33 -7.243 6.212 6.873 1.00 0.00 N ATOM 520 CA LYS A 33 -6.611 5.901 8.150 1.00 0.00 C ATOM 521 C LYS A 33 -5.599 6.971 8.574 1.00 0.00 C ATOM 522 O LYS A 33 -5.750 7.593 9.626 1.00 0.00 O ATOM 523 CB LYS A 33 -5.930 4.532 8.089 1.00 0.00 C ATOM 524 CG LYS A 33 -6.907 3.371 7.989 1.00 0.00 C ATOM 525 CD LYS A 33 -6.386 2.144 8.722 1.00 0.00 C ATOM 526 CE LYS A 33 -7.414 1.022 8.739 1.00 0.00 C ATOM 527 NZ LYS A 33 -7.110 0.001 9.778 1.00 0.00 N ATOM 0 H LYS A 33 -7.006 5.566 6.120 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.401 5.881 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.259 4.507 7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.314 4.402 8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.869 3.666 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.077 3.126 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.472 1.794 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.125 2.414 9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.404 1.440 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.445 0.544 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.894 -0.680 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.234 -0.500 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.989 0.468 10.699 1.00 0.00 H new ATOM 541 N GLU A 34 -4.576 7.185 7.758 1.00 0.00 N ATOM 542 CA GLU A 34 -3.540 8.162 8.082 1.00 0.00 C ATOM 543 C GLU A 34 -3.925 9.572 7.653 1.00 0.00 C ATOM 544 O GLU A 34 -3.954 10.490 8.472 1.00 0.00 O ATOM 545 CB GLU A 34 -2.216 7.765 7.432 1.00 0.00 C ATOM 546 CG GLU A 34 -1.549 6.573 8.096 1.00 0.00 C ATOM 547 CD GLU A 34 -1.192 6.836 9.545 1.00 0.00 C ATOM 548 OE1 GLU A 34 -0.284 7.649 9.803 1.00 0.00 O ATOM 549 OE2 GLU A 34 -1.809 6.223 10.440 1.00 0.00 O ATOM 0 H GLU A 34 -4.439 6.700 6.871 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.429 8.166 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.391 7.535 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.536 8.616 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.215 5.712 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.645 6.314 7.545 1.00 0.00 H new ATOM 556 N GLY A 35 -4.226 9.745 6.378 1.00 0.00 N ATOM 557 CA GLY A 35 -4.587 11.061 5.879 1.00 0.00 C ATOM 558 C GLY A 35 -3.702 11.497 4.730 1.00 0.00 C ATOM 559 O GLY A 35 -3.920 12.548 4.125 1.00 0.00 O ATOM 0 H GLY A 35 -4.228 9.003 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.627 11.052 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.514 11.788 6.688 1.00 0.00 H new ATOM 563 N ILE A 36 -2.693 10.689 4.439 1.00 0.00 N ATOM 564 CA ILE A 36 -1.761 10.972 3.357 1.00 0.00 C ATOM 565 C ILE A 36 -2.443 10.782 2.002 1.00 0.00 C ATOM 566 O ILE A 36 -3.030 9.731 1.747 1.00 0.00 O ATOM 567 CB ILE A 36 -0.525 10.048 3.436 1.00 0.00 C ATOM 568 CG1 ILE A 36 0.121 10.147 4.819 1.00 0.00 C ATOM 569 CG2 ILE A 36 0.485 10.399 2.350 1.00 0.00 C ATOM 570 CD1 ILE A 36 1.075 9.014 5.128 1.00 0.00 C ATOM 0 H ILE A 36 -2.498 9.824 4.943 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.437 12.008 3.461 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.853 9.021 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.658 11.093 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.663 10.166 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.346 9.735 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.022 10.282 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.811 11.432 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.494 9.152 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.539 8.066 5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.881 9.006 4.394 1.00 0.00 H new ATOM 582 N PRO A 37 -2.400 11.804 1.130 1.00 0.00 N ATOM 583 CA PRO A 37 -3.005 11.731 -0.204 1.00 0.00 C ATOM 584 C PRO A 37 -2.454 10.559 -1.016 1.00 0.00 C ATOM 585 O PRO A 37 -1.256 10.279 -0.970 1.00 0.00 O ATOM 586 CB PRO A 37 -2.612 13.059 -0.857 1.00 0.00 C ATOM 587 CG PRO A 37 -2.316 13.976 0.278 1.00 0.00 C ATOM 588 CD PRO A 37 -1.770 13.113 1.379 1.00 0.00 C ATOM 0 HA PRO A 37 -4.082 11.574 -0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.743 12.938 -1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.419 13.447 -1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.593 14.738 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.216 14.498 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.683 13.050 1.339 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.030 13.504 2.363 1.00 0.00 H new ATOM 596 N PRO A 38 -3.323 9.858 -1.768 1.00 0.00 N ATOM 597 CA PRO A 38 -2.922 8.705 -2.595 1.00 0.00 C ATOM 598 C PRO A 38 -1.798 9.035 -3.579 1.00 0.00 C ATOM 599 O PRO A 38 -1.036 8.153 -3.983 1.00 0.00 O ATOM 600 CB PRO A 38 -4.202 8.348 -3.354 1.00 0.00 C ATOM 601 CG PRO A 38 -5.307 8.870 -2.506 1.00 0.00 C ATOM 602 CD PRO A 38 -4.773 10.116 -1.857 1.00 0.00 C ATOM 0 HA PRO A 38 -2.526 7.895 -1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.215 8.804 -4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.289 7.271 -3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.190 9.090 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.605 8.136 -1.757 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.988 11.003 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.214 10.278 -0.873 1.00 0.00 H new ATOM 610 N ASP A 39 -1.690 10.306 -3.949 1.00 0.00 N ATOM 611 CA ASP A 39 -0.658 10.754 -4.883 1.00 0.00 C ATOM 612 C ASP A 39 0.716 10.751 -4.217 1.00 0.00 C ATOM 613 O ASP A 39 1.745 10.659 -4.883 1.00 0.00 O ATOM 614 CB ASP A 39 -0.981 12.157 -5.397 1.00 0.00 C ATOM 615 CG ASP A 39 -0.132 12.540 -6.591 1.00 0.00 C ATOM 616 OD1 ASP A 39 -0.361 11.983 -7.686 1.00 0.00 O ATOM 617 OD2 ASP A 39 0.759 13.398 -6.446 1.00 0.00 O ATOM 0 H ASP A 39 -2.306 11.048 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.638 10.060 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.035 12.207 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.825 12.880 -4.596 1.00 0.00 H new ATOM 622 N GLN A 40 0.709 10.825 -2.894 1.00 0.00 N ATOM 623 CA GLN A 40 1.940 10.836 -2.111 1.00 0.00 C ATOM 624 C GLN A 40 2.250 9.440 -1.588 1.00 0.00 C ATOM 625 O GLN A 40 3.213 9.237 -0.849 1.00 0.00 O ATOM 626 CB GLN A 40 1.823 11.813 -0.940 1.00 0.00 C ATOM 627 CG GLN A 40 1.932 13.274 -1.346 1.00 0.00 C ATOM 628 CD GLN A 40 1.938 14.208 -0.151 1.00 0.00 C ATOM 629 OE1 GLN A 40 1.286 13.951 0.860 1.00 0.00 O ATOM 630 NE2 GLN A 40 2.681 15.296 -0.256 1.00 0.00 N ATOM 0 H GLN A 40 -0.142 10.879 -2.335 1.00 0.00 H new ATOM 0 HA GLN A 40 2.753 11.160 -2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.867 11.655 -0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.603 11.589 -0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.845 13.421 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.098 13.530 -1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.207 15.474 -1.111 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.728 15.958 0.518 1.00 0.00 H new ATOM 639 N GLN A 41 1.432 8.482 -1.990 1.00 0.00 N ATOM 640 CA GLN A 41 1.592 7.104 -1.553 1.00 0.00 C ATOM 641 C GLN A 41 2.239 6.240 -2.632 1.00 0.00 C ATOM 642 O GLN A 41 1.814 6.245 -3.786 1.00 0.00 O ATOM 643 CB GLN A 41 0.236 6.500 -1.201 1.00 0.00 C ATOM 644 CG GLN A 41 -0.470 7.164 -0.031 1.00 0.00 C ATOM 645 CD GLN A 41 -1.762 6.455 0.311 1.00 0.00 C ATOM 646 OE1 GLN A 41 -1.879 5.245 0.133 1.00 0.00 O ATOM 647 NE2 GLN A 41 -2.745 7.193 0.797 1.00 0.00 N ATOM 0 H GLN A 41 0.646 8.634 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 41 2.240 7.120 -0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.410 6.556 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.372 5.443 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.187 7.165 0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.679 8.206 -0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.612 8.195 0.931 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.637 6.760 1.038 1.00 0.00 H new ATOM 656 N ARG A 42 3.270 5.509 -2.245 1.00 0.00 N ATOM 657 CA ARG A 42 3.958 4.591 -3.142 1.00 0.00 C ATOM 658 C ARG A 42 3.942 3.215 -2.493 1.00 0.00 C ATOM 659 O ARG A 42 4.272 3.085 -1.319 1.00 0.00 O ATOM 660 CB ARG A 42 5.396 5.049 -3.403 1.00 0.00 C ATOM 661 CG ARG A 42 5.486 6.369 -4.148 1.00 0.00 C ATOM 662 CD ARG A 42 6.923 6.842 -4.274 1.00 0.00 C ATOM 663 NE ARG A 42 7.071 7.834 -5.338 1.00 0.00 N ATOM 664 CZ ARG A 42 8.230 8.162 -5.907 1.00 0.00 C ATOM 665 NH1 ARG A 42 9.366 7.600 -5.503 1.00 0.00 N ATOM 666 NH2 ARG A 42 8.253 9.063 -6.883 1.00 0.00 N ATOM 0 H ARG A 42 3.655 5.534 -1.301 1.00 0.00 H new ATOM 0 HA ARG A 42 3.453 4.563 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.918 5.142 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.915 4.281 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.051 6.258 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.898 7.124 -3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.250 7.272 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.571 5.989 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 42 6.229 8.307 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.355 6.911 -4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.248 7.858 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.386 9.501 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.138 9.317 -7.322 1.00 0.00 H new ATOM 680 N LEU A 43 3.565 2.188 -3.234 1.00 0.00 N ATOM 681 CA LEU A 43 3.474 0.856 -2.650 1.00 0.00 C ATOM 682 C LEU A 43 4.554 -0.088 -3.157 1.00 0.00 C ATOM 683 O LEU A 43 4.644 -0.372 -4.348 1.00 0.00 O ATOM 684 CB LEU A 43 2.090 0.260 -2.913 1.00 0.00 C ATOM 685 CG LEU A 43 1.061 0.511 -1.806 1.00 0.00 C ATOM 686 CD1 LEU A 43 -0.341 0.188 -2.296 1.00 0.00 C ATOM 687 CD2 LEU A 43 1.398 -0.316 -0.573 1.00 0.00 C ATOM 0 H LEU A 43 3.321 2.244 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 43 3.631 0.970 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.705 0.670 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.194 -0.816 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 43 1.095 1.567 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.058 0.373 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.582 0.819 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.390 -0.860 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.658 -0.127 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.390 -1.375 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.387 -0.039 -0.208 1.00 0.00 H new ATOM 699 N ILE A 44 5.381 -0.548 -2.234 1.00 0.00 N ATOM 700 CA ILE A 44 6.446 -1.489 -2.546 1.00 0.00 C ATOM 701 C ILE A 44 6.150 -2.837 -1.888 1.00 0.00 C ATOM 702 O ILE A 44 5.992 -2.933 -0.667 1.00 0.00 O ATOM 703 CB ILE A 44 7.841 -0.951 -2.111 1.00 0.00 C ATOM 704 CG1 ILE A 44 8.498 -0.172 -3.257 1.00 0.00 C ATOM 705 CG2 ILE A 44 8.763 -2.080 -1.659 1.00 0.00 C ATOM 706 CD1 ILE A 44 7.796 1.122 -3.609 1.00 0.00 C ATOM 0 H ILE A 44 5.335 -0.282 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 44 6.481 -1.618 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 44 7.683 -0.282 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.530 0.050 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.530 -0.807 -4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.727 -1.666 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.315 -2.598 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.906 -2.783 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.324 1.611 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.771 0.909 -3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.787 1.779 -2.739 1.00 0.00 H new ATOM 718 N PHE A 45 6.038 -3.870 -2.707 1.00 0.00 N ATOM 719 CA PHE A 45 5.757 -5.205 -2.213 1.00 0.00 C ATOM 720 C PHE A 45 6.765 -6.202 -2.767 1.00 0.00 C ATOM 721 O PHE A 45 6.791 -6.464 -3.970 1.00 0.00 O ATOM 722 CB PHE A 45 4.334 -5.625 -2.595 1.00 0.00 C ATOM 723 CG PHE A 45 3.918 -6.951 -2.023 1.00 0.00 C ATOM 724 CD1 PHE A 45 3.786 -7.118 -0.655 1.00 0.00 C ATOM 725 CD2 PHE A 45 3.657 -8.028 -2.854 1.00 0.00 C ATOM 726 CE1 PHE A 45 3.403 -8.334 -0.125 1.00 0.00 C ATOM 727 CE2 PHE A 45 3.274 -9.249 -2.329 1.00 0.00 C ATOM 728 CZ PHE A 45 3.145 -9.401 -0.962 1.00 0.00 C ATOM 0 H PHE A 45 6.138 -3.807 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 45 5.840 -5.195 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.636 -4.859 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.257 -5.669 -3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.985 -6.287 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.754 -7.913 -3.924 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.305 -8.450 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.076 -10.082 -2.987 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.843 -10.352 -0.549 1.00 0.00 H new ATOM 738 N ALA A 46 7.606 -6.727 -1.880 1.00 0.00 N ATOM 739 CA ALA A 46 8.627 -7.710 -2.244 1.00 0.00 C ATOM 740 C ALA A 46 9.543 -7.192 -3.351 1.00 0.00 C ATOM 741 O ALA A 46 9.854 -7.908 -4.302 1.00 0.00 O ATOM 742 CB ALA A 46 7.975 -9.026 -2.653 1.00 0.00 C ATOM 0 H ALA A 46 7.600 -6.484 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 46 9.248 -7.884 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.747 -9.747 -2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.388 -9.415 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.323 -8.858 -3.510 1.00 0.00 H new ATOM 748 N GLY A 47 9.962 -5.940 -3.227 1.00 0.00 N ATOM 749 CA GLY A 47 10.850 -5.343 -4.209 1.00 0.00 C ATOM 750 C GLY A 47 10.142 -4.910 -5.478 1.00 0.00 C ATOM 751 O GLY A 47 10.782 -4.439 -6.418 1.00 0.00 O ATOM 0 H GLY A 47 9.701 -5.322 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.343 -4.479 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.631 -6.059 -4.464 1.00 0.00 H new ATOM 755 N LYS A 48 8.829 -5.068 -5.517 1.00 0.00 N ATOM 756 CA LYS A 48 8.055 -4.686 -6.687 1.00 0.00 C ATOM 757 C LYS A 48 7.143 -3.511 -6.371 1.00 0.00 C ATOM 758 O LYS A 48 6.356 -3.558 -5.424 1.00 0.00 O ATOM 759 CB LYS A 48 7.235 -5.874 -7.193 1.00 0.00 C ATOM 760 CG LYS A 48 8.035 -6.840 -8.054 1.00 0.00 C ATOM 761 CD LYS A 48 7.516 -8.264 -7.935 1.00 0.00 C ATOM 762 CE LYS A 48 7.984 -8.923 -6.646 1.00 0.00 C ATOM 763 NZ LYS A 48 7.466 -10.308 -6.508 1.00 0.00 N ATOM 0 H LYS A 48 8.277 -5.458 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 48 8.748 -4.380 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.827 -6.414 -6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.388 -5.502 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.989 -6.522 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.083 -6.809 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.426 -8.259 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.858 -8.849 -8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.074 -8.940 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.656 -8.327 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.809 -10.720 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.426 -10.291 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.800 -10.885 -7.306 1.00 0.00 H new ATOM 777 N GLN A 49 7.269 -2.452 -7.156 1.00 0.00 N ATOM 778 CA GLN A 49 6.453 -1.264 -6.971 1.00 0.00 C ATOM 779 C GLN A 49 5.074 -1.475 -7.583 1.00 0.00 C ATOM 780 O GLN A 49 4.950 -1.733 -8.782 1.00 0.00 O ATOM 781 CB GLN A 49 7.130 -0.049 -7.607 1.00 0.00 C ATOM 782 CG GLN A 49 6.319 1.231 -7.491 1.00 0.00 C ATOM 783 CD GLN A 49 6.483 2.127 -8.701 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.382 2.966 -8.751 1.00 0.00 O ATOM 785 NE2 GLN A 49 5.618 1.957 -9.686 1.00 0.00 N ATOM 0 H GLN A 49 7.931 -2.392 -7.930 1.00 0.00 H new ATOM 0 HA GLN A 49 6.341 -1.081 -5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.101 0.103 -7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.315 -0.257 -8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.265 0.981 -7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.625 1.773 -6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.887 1.250 -9.606 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.682 2.532 -10.526 1.00 0.00 H new ATOM 794 N LEU A 50 4.051 -1.368 -6.755 1.00 0.00 N ATOM 795 CA LEU A 50 2.681 -1.551 -7.200 1.00 0.00 C ATOM 796 C LEU A 50 2.166 -0.274 -7.850 1.00 0.00 C ATOM 797 O LEU A 50 2.144 0.791 -7.226 1.00 0.00 O ATOM 798 CB LEU A 50 1.780 -1.942 -6.022 1.00 0.00 C ATOM 799 CG LEU A 50 2.351 -3.013 -5.084 1.00 0.00 C ATOM 800 CD1 LEU A 50 1.355 -3.346 -3.985 1.00 0.00 C ATOM 801 CD2 LEU A 50 2.720 -4.268 -5.856 1.00 0.00 C ATOM 0 H LEU A 50 4.144 -1.153 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 50 2.661 -2.356 -7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.567 -1.047 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.829 -2.299 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 50 3.256 -2.613 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.778 -4.107 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.138 -2.448 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.434 -3.721 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.123 -5.013 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.832 -4.668 -6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.471 -4.025 -6.608 1.00 0.00 H new ATOM 813 N GLU A 51 1.771 -0.381 -9.106 1.00 0.00 N ATOM 814 CA GLU A 51 1.257 0.762 -9.842 1.00 0.00 C ATOM 815 C GLU A 51 -0.207 1.001 -9.493 1.00 0.00 C ATOM 816 O GLU A 51 -0.945 0.062 -9.202 1.00 0.00 O ATOM 817 CB GLU A 51 1.427 0.546 -11.345 1.00 0.00 C ATOM 818 CG GLU A 51 2.872 0.343 -11.765 1.00 0.00 C ATOM 819 CD GLU A 51 3.012 0.040 -13.240 1.00 0.00 C ATOM 820 OE1 GLU A 51 2.513 -1.014 -13.686 1.00 0.00 O ATOM 821 OE2 GLU A 51 3.630 0.850 -13.961 1.00 0.00 O ATOM 0 H GLU A 51 1.796 -1.250 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 51 1.826 1.647 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.843 -0.323 -11.648 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.019 1.406 -11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.445 1.239 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.303 -0.475 -11.187 1.00 0.00 H new ATOM 828 N ASP A 52 -0.616 2.262 -9.529 1.00 0.00 N ATOM 829 CA ASP A 52 -1.986 2.655 -9.195 1.00 0.00 C ATOM 830 C ASP A 52 -3.009 1.966 -10.092 1.00 0.00 C ATOM 831 O ASP A 52 -4.093 1.597 -9.639 1.00 0.00 O ATOM 832 CB ASP A 52 -2.145 4.175 -9.313 1.00 0.00 C ATOM 833 CG ASP A 52 -1.334 4.932 -8.282 1.00 0.00 C ATOM 834 OD1 ASP A 52 -0.086 4.843 -8.311 1.00 0.00 O ATOM 835 OD2 ASP A 52 -1.931 5.627 -7.435 1.00 0.00 O ATOM 0 H ASP A 52 -0.013 3.042 -9.789 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.172 2.343 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.841 4.491 -10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.198 4.435 -9.203 1.00 0.00 H new ATOM 840 N GLY A 53 -2.651 1.773 -11.354 1.00 0.00 N ATOM 841 CA GLY A 53 -3.558 1.142 -12.296 1.00 0.00 C ATOM 842 C GLY A 53 -3.436 -0.370 -12.322 1.00 0.00 C ATOM 843 O GLY A 53 -3.527 -0.982 -13.386 1.00 0.00 O ATOM 0 H GLY A 53 -1.748 2.042 -11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.583 1.413 -12.041 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.364 1.533 -13.295 1.00 0.00 H new ATOM 847 N ARG A 54 -3.223 -0.972 -11.158 1.00 0.00 N ATOM 848 CA ARG A 54 -3.094 -2.421 -11.050 1.00 0.00 C ATOM 849 C ARG A 54 -3.928 -2.937 -9.884 1.00 0.00 C ATOM 850 O ARG A 54 -4.448 -2.156 -9.084 1.00 0.00 O ATOM 851 CB ARG A 54 -1.631 -2.830 -10.838 1.00 0.00 C ATOM 852 CG ARG A 54 -0.659 -2.219 -11.832 1.00 0.00 C ATOM 853 CD ARG A 54 -0.767 -2.859 -13.204 1.00 0.00 C ATOM 854 NE ARG A 54 0.077 -2.176 -14.186 1.00 0.00 N ATOM 855 CZ ARG A 54 -0.215 -2.079 -15.483 1.00 0.00 C ATOM 856 NH1 ARG A 54 -1.305 -2.663 -15.972 1.00 0.00 N ATOM 857 NH2 ARG A 54 0.592 -1.406 -16.292 1.00 0.00 N ATOM 0 H ARG A 54 -3.136 -0.476 -10.271 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.452 -2.857 -11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.329 -2.544 -9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.558 -3.916 -10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.851 -1.149 -11.915 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.359 -2.332 -11.459 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.476 -3.908 -13.141 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.805 -2.835 -13.536 1.00 0.00 H new ATOM 0 HE ARG A 54 0.942 -1.748 -13.857 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.923 -3.189 -15.354 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.523 -2.585 -16.965 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.433 -0.964 -15.921 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.371 -1.330 -17.285 1.00 0.00 H new ATOM 871 N THR A 55 -4.055 -4.249 -9.791 1.00 0.00 N ATOM 872 CA THR A 55 -4.809 -4.872 -8.714 1.00 0.00 C ATOM 873 C THR A 55 -3.903 -5.794 -7.907 1.00 0.00 C ATOM 874 O THR A 55 -2.774 -6.078 -8.316 1.00 0.00 O ATOM 875 CB THR A 55 -5.999 -5.687 -9.259 1.00 0.00 C ATOM 876 OG1 THR A 55 -5.531 -6.683 -10.181 1.00 0.00 O ATOM 877 CG2 THR A 55 -7.009 -4.784 -9.952 1.00 0.00 C ATOM 0 H THR A 55 -3.644 -4.908 -10.452 1.00 0.00 H new ATOM 0 HA THR A 55 -5.194 -4.076 -8.077 1.00 0.00 H new ATOM 0 HB THR A 55 -6.491 -6.172 -8.416 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.041 -6.249 -10.911 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.838 -5.385 -10.327 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.386 -4.048 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.527 -4.271 -10.785 1.00 0.00 H new ATOM 885 N LEU A 56 -4.399 -6.272 -6.771 1.00 0.00 N ATOM 886 CA LEU A 56 -3.628 -7.177 -5.924 1.00 0.00 C ATOM 887 C LEU A 56 -3.493 -8.543 -6.597 1.00 0.00 C ATOM 888 O LEU A 56 -2.672 -9.373 -6.202 1.00 0.00 O ATOM 889 CB LEU A 56 -4.292 -7.331 -4.550 1.00 0.00 C ATOM 890 CG LEU A 56 -4.536 -6.027 -3.780 1.00 0.00 C ATOM 891 CD1 LEU A 56 -5.125 -6.320 -2.412 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.249 -5.232 -3.633 1.00 0.00 C ATOM 0 H LEU A 56 -5.329 -6.049 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.635 -6.751 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.248 -7.837 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.669 -7.983 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.247 -5.429 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.292 -5.384 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.073 -6.845 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.434 -6.942 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.450 -4.312 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.514 -5.826 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.858 -4.986 -4.620 1.00 0.00 H new ATOM 904 N SER A 57 -4.291 -8.749 -7.636 1.00 0.00 N ATOM 905 CA SER A 57 -4.282 -9.995 -8.383 1.00 0.00 C ATOM 906 C SER A 57 -3.172 -9.992 -9.434 1.00 0.00 C ATOM 907 O SER A 57 -2.657 -11.043 -9.810 1.00 0.00 O ATOM 908 CB SER A 57 -5.643 -10.207 -9.050 1.00 0.00 C ATOM 909 OG SER A 57 -6.445 -9.037 -8.951 1.00 0.00 O ATOM 0 H SER A 57 -4.959 -8.060 -7.982 1.00 0.00 H new ATOM 0 HA SER A 57 -4.090 -10.815 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.502 -10.468 -10.099 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.156 -11.045 -8.579 1.00 0.00 H new ATOM 0 HG SER A 57 -6.072 -8.335 -9.525 1.00 0.00 H new ATOM 915 N ASP A 58 -2.788 -8.798 -9.881 1.00 0.00 N ATOM 916 CA ASP A 58 -1.745 -8.656 -10.897 1.00 0.00 C ATOM 917 C ASP A 58 -0.404 -9.155 -10.387 1.00 0.00 C ATOM 918 O ASP A 58 0.322 -9.850 -11.098 1.00 0.00 O ATOM 919 CB ASP A 58 -1.607 -7.193 -11.331 1.00 0.00 C ATOM 920 CG ASP A 58 -2.709 -6.751 -12.270 1.00 0.00 C ATOM 921 OD1 ASP A 58 -2.699 -7.163 -13.451 1.00 0.00 O ATOM 922 OD2 ASP A 58 -3.594 -5.987 -11.833 1.00 0.00 O ATOM 0 H ASP A 58 -3.183 -7.915 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.043 -9.262 -11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.612 -6.555 -10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.643 -7.054 -11.819 1.00 0.00 H new ATOM 927 N TYR A 59 -0.084 -8.810 -9.148 1.00 0.00 N ATOM 928 CA TYR A 59 1.179 -9.210 -8.543 1.00 0.00 C ATOM 929 C TYR A 59 1.012 -10.487 -7.726 1.00 0.00 C ATOM 930 O TYR A 59 1.953 -10.940 -7.071 1.00 0.00 O ATOM 931 CB TYR A 59 1.720 -8.091 -7.646 1.00 0.00 C ATOM 932 CG TYR A 59 1.834 -6.748 -8.335 1.00 0.00 C ATOM 933 CD1 TYR A 59 0.755 -5.873 -8.379 1.00 0.00 C ATOM 934 CD2 TYR A 59 3.025 -6.350 -8.931 1.00 0.00 C ATOM 935 CE1 TYR A 59 0.857 -4.643 -8.998 1.00 0.00 C ATOM 936 CE2 TYR A 59 3.135 -5.118 -9.550 1.00 0.00 C ATOM 937 CZ TYR A 59 2.048 -4.270 -9.581 1.00 0.00 C ATOM 938 OH TYR A 59 2.154 -3.042 -10.193 1.00 0.00 O ATOM 0 H TYR A 59 -0.684 -8.252 -8.540 1.00 0.00 H new ATOM 0 HA TYR A 59 1.890 -9.401 -9.347 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.068 -7.988 -6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.703 -8.381 -7.274 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.180 -6.160 -7.921 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.877 -7.013 -8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.007 -3.977 -9.025 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.068 -4.822 -10.007 1.00 0.00 H new ATOM 0 HH TYR A 59 3.059 -2.933 -10.553 1.00 0.00 H new ATOM 948 N ASN A 60 -0.191 -11.056 -7.780 1.00 0.00 N ATOM 949 CA ASN A 60 -0.516 -12.279 -7.046 1.00 0.00 C ATOM 950 C ASN A 60 -0.206 -12.119 -5.563 1.00 0.00 C ATOM 951 O ASN A 60 0.623 -12.835 -5.008 1.00 0.00 O ATOM 952 CB ASN A 60 0.239 -13.487 -7.613 1.00 0.00 C ATOM 953 CG ASN A 60 -0.506 -14.152 -8.752 1.00 0.00 C ATOM 954 OD1 ASN A 60 -1.432 -14.931 -8.535 1.00 0.00 O ATOM 955 ND2 ASN A 60 -0.097 -13.866 -9.975 1.00 0.00 N ATOM 0 H ASN A 60 -0.965 -10.685 -8.331 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.585 -12.457 -7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.221 -13.167 -7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.405 -14.214 -6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.553 -14.297 -10.779 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.675 -13.214 -10.115 1.00 0.00 H new ATOM 962 N ILE A 61 -0.872 -11.165 -4.928 1.00 0.00 N ATOM 963 CA ILE A 61 -0.665 -10.911 -3.512 1.00 0.00 C ATOM 964 C ILE A 61 -1.504 -11.866 -2.671 1.00 0.00 C ATOM 965 O ILE A 61 -2.715 -11.992 -2.868 1.00 0.00 O ATOM 966 CB ILE A 61 -0.987 -9.440 -3.157 1.00 0.00 C ATOM 967 CG1 ILE A 61 0.019 -8.513 -3.851 1.00 0.00 C ATOM 968 CG2 ILE A 61 -0.967 -9.223 -1.647 1.00 0.00 C ATOM 969 CD1 ILE A 61 -0.201 -7.043 -3.573 1.00 0.00 C ATOM 0 H ILE A 61 -1.559 -10.556 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 61 0.387 -11.086 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.992 -9.206 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.026 -8.785 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.032 -8.680 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.197 -8.181 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.711 -9.866 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.021 -9.467 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.551 -6.456 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.194 -6.752 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.119 -6.859 -2.502 1.00 0.00 H new ATOM 981 N GLN A 62 -0.841 -12.553 -1.751 1.00 0.00 N ATOM 982 CA GLN A 62 -1.497 -13.519 -0.880 1.00 0.00 C ATOM 983 C GLN A 62 -2.194 -12.821 0.281 1.00 0.00 C ATOM 984 O GLN A 62 -2.162 -11.592 0.397 1.00 0.00 O ATOM 985 CB GLN A 62 -0.473 -14.519 -0.329 1.00 0.00 C ATOM 986 CG GLN A 62 0.382 -15.196 -1.393 1.00 0.00 C ATOM 987 CD GLN A 62 1.582 -14.363 -1.806 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.091 -13.550 -1.032 1.00 0.00 O ATOM 989 NE2 GLN A 62 2.042 -14.557 -3.030 1.00 0.00 N ATOM 0 H GLN A 62 0.161 -12.458 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.243 -14.049 -1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.183 -14.001 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.001 -15.286 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.727 -16.159 -1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.232 -15.399 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.593 -15.239 -3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.846 -14.024 -3.363 1.00 0.00 H new ATOM 998 N LYS A 63 -2.812 -13.609 1.147 1.00 0.00 N ATOM 999 CA LYS A 63 -3.506 -13.074 2.306 1.00 0.00 C ATOM 1000 C LYS A 63 -2.539 -12.953 3.478 1.00 0.00 C ATOM 1001 O LYS A 63 -1.571 -13.714 3.564 1.00 0.00 O ATOM 1002 CB LYS A 63 -4.690 -13.969 2.673 1.00 0.00 C ATOM 1003 CG LYS A 63 -5.732 -14.065 1.568 1.00 0.00 C ATOM 1004 CD LYS A 63 -6.898 -14.955 1.962 1.00 0.00 C ATOM 1005 CE LYS A 63 -6.559 -16.429 1.804 1.00 0.00 C ATOM 1006 NZ LYS A 63 -7.694 -17.301 2.201 1.00 0.00 N ATOM 0 H LYS A 63 -2.847 -14.625 1.068 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.889 -12.082 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.323 -14.969 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.162 -13.584 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.101 -13.067 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.266 -14.456 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.176 -14.754 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.765 -14.713 1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.291 -16.631 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.686 -16.669 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.425 -18.298 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.934 -17.126 3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.519 -17.090 1.604 1.00 0.00 H new ATOM 1020 N GLU A 64 -2.802 -11.992 4.368 1.00 0.00 N ATOM 1021 CA GLU A 64 -1.955 -11.741 5.540 1.00 0.00 C ATOM 1022 C GLU A 64 -0.542 -11.356 5.088 1.00 0.00 C ATOM 1023 O GLU A 64 0.458 -11.762 5.684 1.00 0.00 O ATOM 1024 CB GLU A 64 -1.915 -12.965 6.468 1.00 0.00 C ATOM 1025 CG GLU A 64 -3.260 -13.668 6.634 1.00 0.00 C ATOM 1026 CD GLU A 64 -4.344 -12.776 7.210 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -4.248 -12.413 8.403 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -5.282 -12.410 6.465 1.00 0.00 O ATOM 0 H GLU A 64 -3.605 -11.367 4.298 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.383 -10.913 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.190 -13.679 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.558 -12.652 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.587 -14.043 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.130 -14.534 7.283 1.00 0.00 H new ATOM 1035 N SER A 65 -0.489 -10.569 4.023 1.00 0.00 N ATOM 1036 CA SER A 65 0.777 -10.120 3.451 1.00 0.00 C ATOM 1037 C SER A 65 1.252 -8.809 4.069 1.00 0.00 C ATOM 1038 O SER A 65 0.460 -8.043 4.624 1.00 0.00 O ATOM 1039 CB SER A 65 0.636 -9.969 1.937 1.00 0.00 C ATOM 1040 OG SER A 65 0.302 -11.205 1.332 1.00 0.00 O ATOM 0 H SER A 65 -1.314 -10.225 3.532 1.00 0.00 H new ATOM 0 HA SER A 65 1.529 -10.876 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.133 -9.230 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.570 -9.595 1.517 1.00 0.00 H new ATOM 0 HG SER A 65 -0.476 -11.084 0.748 1.00 0.00 H new ATOM 1046 N THR A 66 2.550 -8.560 3.965 1.00 0.00 N ATOM 1047 CA THR A 66 3.151 -7.353 4.500 1.00 0.00 C ATOM 1048 C THR A 66 3.604 -6.431 3.368 1.00 0.00 C ATOM 1049 O THR A 66 4.548 -6.738 2.639 1.00 0.00 O ATOM 1050 CB THR A 66 4.349 -7.690 5.404 1.00 0.00 C ATOM 1051 OG1 THR A 66 3.987 -8.745 6.311 1.00 0.00 O ATOM 1052 CG2 THR A 66 4.803 -6.469 6.191 1.00 0.00 C ATOM 0 H THR A 66 3.211 -9.188 3.509 1.00 0.00 H new ATOM 0 HA THR A 66 2.396 -6.841 5.096 1.00 0.00 H new ATOM 0 HB THR A 66 5.175 -8.014 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.752 -8.960 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.651 -6.737 6.821 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.100 -5.680 5.500 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.984 -6.114 6.817 1.00 0.00 H new ATOM 1060 N LEU A 67 2.920 -5.310 3.226 1.00 0.00 N ATOM 1061 CA LEU A 67 3.233 -4.343 2.189 1.00 0.00 C ATOM 1062 C LEU A 67 3.992 -3.165 2.783 1.00 0.00 C ATOM 1063 O LEU A 67 3.711 -2.724 3.896 1.00 0.00 O ATOM 1064 CB LEU A 67 1.954 -3.851 1.501 1.00 0.00 C ATOM 1065 CG LEU A 67 1.189 -4.911 0.700 1.00 0.00 C ATOM 1066 CD1 LEU A 67 0.229 -5.680 1.595 1.00 0.00 C ATOM 1067 CD2 LEU A 67 0.440 -4.266 -0.454 1.00 0.00 C ATOM 0 H LEU A 67 2.136 -5.045 3.823 1.00 0.00 H new ATOM 0 HA LEU A 67 3.860 -4.831 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.287 -3.443 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.214 -3.031 0.831 1.00 0.00 H new ATOM 0 HG LEU A 67 1.913 -5.618 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.302 -6.426 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.789 -6.177 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.489 -4.989 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.098 -5.032 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.269 -3.536 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.149 -3.767 -1.114 1.00 0.00 H new ATOM 1079 N HIS A 68 4.971 -2.679 2.047 1.00 0.00 N ATOM 1080 CA HIS A 68 5.771 -1.553 2.502 1.00 0.00 C ATOM 1081 C HIS A 68 5.413 -0.291 1.736 1.00 0.00 C ATOM 1082 O HIS A 68 5.593 -0.221 0.520 1.00 0.00 O ATOM 1083 CB HIS A 68 7.260 -1.862 2.361 1.00 0.00 C ATOM 1084 CG HIS A 68 7.735 -2.929 3.300 1.00 0.00 C ATOM 1085 ND1 HIS A 68 8.190 -2.854 4.573 1.00 0.00 N flip ATOM 1086 CD2 HIS A 68 7.776 -4.262 2.961 1.00 0.00 C flip ATOM 1087 CE1 HIS A 68 8.496 -4.134 4.975 1.00 0.00 C flip ATOM 1088 NE2 HIS A 68 8.232 -4.962 3.981 1.00 0.00 N flip ATOM 0 H HIS A 68 5.234 -3.044 1.131 1.00 0.00 H new ATOM 0 HA HIS A 68 5.552 -1.384 3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.464 -2.172 1.336 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.832 -0.951 2.538 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.480 -4.672 2.006 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.887 -4.414 5.942 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.359 -5.974 3.999 1.00 0.00 H new ATOM 1097 N LEU A 69 4.891 0.702 2.439 1.00 0.00 N ATOM 1098 CA LEU A 69 4.506 1.951 1.810 1.00 0.00 C ATOM 1099 C LEU A 69 5.664 2.938 1.838 1.00 0.00 C ATOM 1100 O LEU A 69 6.276 3.177 2.881 1.00 0.00 O ATOM 1101 CB LEU A 69 3.286 2.551 2.515 1.00 0.00 C ATOM 1102 CG LEU A 69 2.676 3.777 1.831 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.780 3.353 0.678 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.898 4.618 2.831 1.00 0.00 C ATOM 0 H LEU A 69 4.725 0.665 3.445 1.00 0.00 H new ATOM 0 HA LEU A 69 4.245 1.747 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.519 1.781 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.572 2.826 3.530 1.00 0.00 H new ATOM 0 HG LEU A 69 3.487 4.385 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.355 4.237 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.366 2.796 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.976 2.722 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.473 5.484 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.096 4.020 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.567 4.953 3.623 1.00 0.00 H new ATOM 1116 N VAL A 70 5.961 3.499 0.686 1.00 0.00 N ATOM 1117 CA VAL A 70 7.033 4.462 0.553 1.00 0.00 C ATOM 1118 C VAL A 70 6.452 5.840 0.273 1.00 0.00 C ATOM 1119 O VAL A 70 5.493 5.973 -0.483 1.00 0.00 O ATOM 1120 CB VAL A 70 8.000 4.065 -0.586 1.00 0.00 C ATOM 1121 CG1 VAL A 70 9.122 5.079 -0.729 1.00 0.00 C ATOM 1122 CG2 VAL A 70 8.566 2.674 -0.344 1.00 0.00 C ATOM 0 H VAL A 70 5.467 3.301 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 70 7.594 4.481 1.488 1.00 0.00 H new ATOM 0 HB VAL A 70 7.436 4.054 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.787 4.774 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.701 6.058 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.685 5.133 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.245 2.411 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.109 2.661 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.751 1.951 -0.304 1.00 0.00 H new ATOM 1132 N LEU A 71 7.004 6.853 0.911 1.00 0.00 N ATOM 1133 CA LEU A 71 6.548 8.216 0.707 1.00 0.00 C ATOM 1134 C LEU A 71 7.478 8.924 -0.267 1.00 0.00 C ATOM 1135 O LEU A 71 8.347 8.295 -0.871 1.00 0.00 O ATOM 1136 CB LEU A 71 6.503 8.964 2.044 1.00 0.00 C ATOM 1137 CG LEU A 71 5.609 8.332 3.114 1.00 0.00 C ATOM 1138 CD1 LEU A 71 5.789 9.041 4.446 1.00 0.00 C ATOM 1139 CD2 LEU A 71 4.151 8.367 2.683 1.00 0.00 C ATOM 0 H LEU A 71 7.771 6.759 1.577 1.00 0.00 H new ATOM 0 HA LEU A 71 5.542 8.200 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.517 9.035 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.160 9.982 1.861 1.00 0.00 H new ATOM 0 HG LEU A 71 5.905 7.290 3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.146 8.578 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.829 8.962 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.522 10.092 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.532 7.913 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.841 9.401 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.033 7.812 1.752 1.00 0.00 H new ATOM 1151 N ARG A 72 7.288 10.219 -0.436 1.00 0.00 N ATOM 1152 CA ARG A 72 8.133 10.990 -1.327 1.00 0.00 C ATOM 1153 C ARG A 72 8.313 12.397 -0.788 1.00 0.00 C ATOM 1154 O ARG A 72 7.440 13.253 -0.941 1.00 0.00 O ATOM 1155 CB ARG A 72 7.550 11.033 -2.740 1.00 0.00 C ATOM 1156 CG ARG A 72 8.488 11.651 -3.771 1.00 0.00 C ATOM 1157 CD ARG A 72 9.689 10.757 -4.057 1.00 0.00 C ATOM 1158 NE ARG A 72 10.819 11.027 -3.164 1.00 0.00 N ATOM 1159 CZ ARG A 72 12.005 11.480 -3.571 1.00 0.00 C ATOM 1160 NH1 ARG A 72 12.233 11.721 -4.858 1.00 0.00 N ATOM 1161 NH2 ARG A 72 12.967 11.688 -2.684 1.00 0.00 N ATOM 0 H ARG A 72 6.558 10.758 0.031 1.00 0.00 H new ATOM 0 HA ARG A 72 9.106 10.502 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.300 10.019 -3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.619 11.600 -2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.941 11.831 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.834 12.620 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.392 9.713 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.005 10.900 -5.090 1.00 0.00 H new ATOM 0 HE ARG A 72 10.690 10.857 -2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.497 11.560 -5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.144 12.067 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.798 11.502 -1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.876 12.034 -2.990 1.00 0.00 H new ATOM 1175 N LEU A 73 9.441 12.624 -0.138 1.00 0.00 N ATOM 1176 CA LEU A 73 9.745 13.926 0.421 1.00 0.00 C ATOM 1177 C LEU A 73 10.213 14.867 -0.676 1.00 0.00 C ATOM 1178 O LEU A 73 11.408 14.965 -0.953 1.00 0.00 O ATOM 1179 CB LEU A 73 10.821 13.822 1.506 1.00 0.00 C ATOM 1180 CG LEU A 73 10.475 12.935 2.703 1.00 0.00 C ATOM 1181 CD1 LEU A 73 11.553 13.047 3.771 1.00 0.00 C ATOM 1182 CD2 LEU A 73 9.117 13.309 3.277 1.00 0.00 C ATOM 0 H LEU A 73 10.163 11.920 0.015 1.00 0.00 H new ATOM 0 HA LEU A 73 8.836 14.320 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.735 13.443 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.039 14.825 1.872 1.00 0.00 H new ATOM 0 HG LEU A 73 10.427 11.901 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.294 12.411 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.510 12.729 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.628 14.082 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.892 12.665 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.134 14.349 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.351 13.181 2.512 1.00 0.00 H new ATOM 1194 N ARG A 74 9.266 15.535 -1.316 1.00 0.00 N ATOM 1195 CA ARG A 74 9.585 16.478 -2.376 1.00 0.00 C ATOM 1196 C ARG A 74 10.227 17.719 -1.775 1.00 0.00 C ATOM 1197 O ARG A 74 10.972 18.439 -2.439 1.00 0.00 O ATOM 1198 CB ARG A 74 8.331 16.854 -3.166 1.00 0.00 C ATOM 1199 CG ARG A 74 7.884 15.786 -4.152 1.00 0.00 C ATOM 1200 CD ARG A 74 6.786 16.303 -5.066 1.00 0.00 C ATOM 1201 NE ARG A 74 6.565 15.429 -6.218 1.00 0.00 N ATOM 1202 CZ ARG A 74 6.122 15.853 -7.402 1.00 0.00 C ATOM 1203 NH1 ARG A 74 5.859 17.141 -7.599 1.00 0.00 N ATOM 1204 NH2 ARG A 74 5.953 14.990 -8.394 1.00 0.00 N ATOM 0 H ARG A 74 8.269 15.441 -1.120 1.00 0.00 H new ATOM 0 HA ARG A 74 10.286 16.009 -3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.519 17.053 -2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.519 17.781 -3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.735 15.461 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.525 14.912 -3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.859 16.396 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.048 17.302 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 74 6.762 14.434 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.996 17.811 -6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.520 17.459 -8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.162 14.002 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.614 15.314 -9.300 1.00 0.00 H new ATOM 1218 N GLY A 75 9.934 17.951 -0.506 1.00 0.00 N ATOM 1219 CA GLY A 75 10.492 19.083 0.195 1.00 0.00 C ATOM 1220 C GLY A 75 11.257 18.644 1.424 1.00 0.00 C ATOM 1221 O GLY A 75 10.814 17.753 2.152 1.00 0.00 O ATOM 0 H GLY A 75 9.313 17.368 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.155 19.635 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.692 19.764 0.486 1.00 0.00 H new ATOM 1225 N GLY A 76 12.409 19.249 1.649 1.00 0.00 N ATOM 1226 CA GLY A 76 13.214 18.900 2.797 1.00 0.00 C ATOM 1227 C GLY A 76 14.242 19.963 3.095 1.00 0.00 C ATOM 1228 O GLY A 76 15.255 19.652 3.753 1.00 0.00 O ATOM 1229 OXT GLY A 76 14.043 21.116 2.652 1.00 0.00 O ATOM 0 H GLY A 76 12.803 19.979 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.570 18.761 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.715 17.949 2.616 1.00 0.00 H new ATOM 1234 N GLY B 536 36.425 -6.978 12.678 1.00 0.00 N ATOM 1235 CA GLY B 536 37.499 -6.342 11.876 1.00 0.00 C ATOM 1236 C GLY B 536 37.047 -5.031 11.271 1.00 0.00 C ATOM 1237 O GLY B 536 35.976 -4.527 11.611 1.00 0.00 O ATOM 0 HA2 GLY B 536 38.371 -6.170 12.507 1.00 0.00 H new ATOM 0 HA3 GLY B 536 37.810 -7.021 11.082 1.00 0.00 H new ATOM 1243 N SER B 537 37.852 -4.476 10.378 1.00 0.00 N ATOM 1244 CA SER B 537 37.514 -3.218 9.727 1.00 0.00 C ATOM 1245 C SER B 537 37.565 -3.359 8.206 1.00 0.00 C ATOM 1246 O SER B 537 38.534 -2.951 7.566 1.00 0.00 O ATOM 1247 CB SER B 537 38.470 -2.120 10.197 1.00 0.00 C ATOM 1248 OG SER B 537 39.720 -2.667 10.593 1.00 0.00 O ATOM 0 H SER B 537 38.744 -4.876 10.087 1.00 0.00 H new ATOM 0 HA SER B 537 36.495 -2.945 10.003 1.00 0.00 H new ATOM 0 HB2 SER B 537 38.623 -1.398 9.395 1.00 0.00 H new ATOM 0 HB3 SER B 537 38.025 -1.579 11.032 1.00 0.00 H new ATOM 0 HG SER B 537 40.314 -1.946 10.888 1.00 0.00 H new ATOM 1254 N PRO B 538 36.522 -3.952 7.604 1.00 0.00 N ATOM 1255 CA PRO B 538 36.458 -4.150 6.165 1.00 0.00 C ATOM 1256 C PRO B 538 35.824 -2.969 5.437 1.00 0.00 C ATOM 1257 O PRO B 538 35.267 -2.060 6.061 1.00 0.00 O ATOM 1258 CB PRO B 538 35.582 -5.392 6.044 1.00 0.00 C ATOM 1259 CG PRO B 538 34.643 -5.313 7.205 1.00 0.00 C ATOM 1260 CD PRO B 538 35.320 -4.480 8.273 1.00 0.00 C ATOM 0 HA PRO B 538 37.445 -4.250 5.713 1.00 0.00 H new ATOM 0 HB2 PRO B 538 35.041 -5.403 5.098 1.00 0.00 H new ATOM 0 HB3 PRO B 538 36.180 -6.303 6.080 1.00 0.00 H new ATOM 0 HG2 PRO B 538 33.698 -4.860 6.905 1.00 0.00 H new ATOM 0 HG3 PRO B 538 34.413 -6.309 7.582 1.00 0.00 H new ATOM 0 HD2 PRO B 538 34.672 -3.676 8.623 1.00 0.00 H new ATOM 0 HD3 PRO B 538 35.580 -5.082 9.144 1.00 0.00 H new ATOM 1268 N GLU B 539 35.916 -2.986 4.118 1.00 0.00 N ATOM 1269 CA GLU B 539 35.350 -1.929 3.298 1.00 0.00 C ATOM 1270 C GLU B 539 33.878 -2.206 3.022 1.00 0.00 C ATOM 1271 O GLU B 539 33.495 -3.332 2.698 1.00 0.00 O ATOM 1272 CB GLU B 539 36.130 -1.793 1.985 1.00 0.00 C ATOM 1273 CG GLU B 539 36.130 -3.053 1.132 1.00 0.00 C ATOM 1274 CD GLU B 539 37.419 -3.238 0.362 1.00 0.00 C ATOM 1275 OE1 GLU B 539 38.382 -3.789 0.936 1.00 0.00 O ATOM 1276 OE2 GLU B 539 37.477 -2.843 -0.819 1.00 0.00 O ATOM 0 H GLU B 539 36.380 -3.725 3.590 1.00 0.00 H new ATOM 0 HA GLU B 539 35.428 -0.987 3.841 1.00 0.00 H new ATOM 0 HB2 GLU B 539 35.705 -0.974 1.405 1.00 0.00 H new ATOM 0 HB3 GLU B 539 37.161 -1.521 2.213 1.00 0.00 H new ATOM 0 HG2 GLU B 539 35.967 -3.920 1.772 1.00 0.00 H new ATOM 0 HG3 GLU B 539 35.296 -3.012 0.431 1.00 0.00 H new ATOM 1283 N PHE B 540 33.052 -1.180 3.157 1.00 0.00 N ATOM 1284 CA PHE B 540 31.622 -1.319 2.921 1.00 0.00 C ATOM 1285 C PHE B 540 31.336 -1.350 1.426 1.00 0.00 C ATOM 1286 O PHE B 540 30.254 -1.744 0.995 1.00 0.00 O ATOM 1287 CB PHE B 540 30.857 -0.172 3.583 1.00 0.00 C ATOM 1288 CG PHE B 540 30.987 -0.147 5.082 1.00 0.00 C ATOM 1289 CD1 PHE B 540 30.665 -1.263 5.836 1.00 0.00 C ATOM 1290 CD2 PHE B 540 31.431 0.993 5.733 1.00 0.00 C ATOM 1291 CE1 PHE B 540 30.781 -1.244 7.212 1.00 0.00 C ATOM 1292 CE2 PHE B 540 31.549 1.017 7.110 1.00 0.00 C ATOM 1293 CZ PHE B 540 31.223 -0.102 7.850 1.00 0.00 C ATOM 0 H PHE B 540 33.346 -0.242 3.429 1.00 0.00 H new ATOM 0 HA PHE B 540 31.287 -2.258 3.362 1.00 0.00 H new ATOM 0 HB2 PHE B 540 31.217 0.774 3.180 1.00 0.00 H new ATOM 0 HB3 PHE B 540 29.802 -0.250 3.319 1.00 0.00 H new ATOM 0 HD1 PHE B 540 30.319 -2.159 5.342 1.00 0.00 H new ATOM 0 HD2 PHE B 540 31.687 1.871 5.159 1.00 0.00 H new ATOM 0 HE1 PHE B 540 30.526 -2.121 7.788 1.00 0.00 H new ATOM 0 HE2 PHE B 540 31.896 1.911 7.607 1.00 0.00 H new ATOM 0 HZ PHE B 540 31.314 -0.084 8.926 1.00 0.00 H new ATOM 1303 N GLN B 541 32.330 -0.936 0.648 1.00 0.00 N ATOM 1304 CA GLN B 541 32.228 -0.899 -0.805 1.00 0.00 C ATOM 1305 C GLN B 541 32.127 -2.305 -1.390 1.00 0.00 C ATOM 1306 O GLN B 541 31.624 -2.487 -2.499 1.00 0.00 O ATOM 1307 CB GLN B 541 33.449 -0.192 -1.388 1.00 0.00 C ATOM 1308 CG GLN B 541 33.107 0.902 -2.381 1.00 0.00 C ATOM 1309 CD GLN B 541 34.325 1.702 -2.801 1.00 0.00 C ATOM 1310 OE1 GLN B 541 35.439 1.179 -2.858 1.00 0.00 O ATOM 1311 NE2 GLN B 541 34.124 2.976 -3.083 1.00 0.00 N ATOM 0 H GLN B 541 33.229 -0.617 1.008 1.00 0.00 H new ATOM 0 HA GLN B 541 31.321 -0.353 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN B 541 34.031 0.239 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN B 541 34.084 -0.929 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN B 541 32.646 0.457 -3.263 1.00 0.00 H new ATOM 0 HG3 GLN B 541 32.370 1.572 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN B 541 33.185 3.370 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN B 541 34.908 3.567 -3.361 1.00 0.00 H new ATOM 1320 N ASN B 542 32.611 -3.291 -0.643 1.00 0.00 N ATOM 1321 CA ASN B 542 32.577 -4.676 -1.095 1.00 0.00 C ATOM 1322 C ASN B 542 31.153 -5.224 -1.021 1.00 0.00 C ATOM 1323 O ASN B 542 30.525 -5.203 0.044 1.00 0.00 O ATOM 1324 CB ASN B 542 33.531 -5.541 -0.259 1.00 0.00 C ATOM 1325 CG ASN B 542 33.823 -6.891 -0.897 1.00 0.00 C ATOM 1326 OD1 ASN B 542 32.943 -7.527 -1.482 1.00 0.00 O ATOM 1327 ND2 ASN B 542 35.063 -7.341 -0.793 1.00 0.00 N ATOM 0 H ASN B 542 33.031 -3.157 0.277 1.00 0.00 H new ATOM 0 HA ASN B 542 32.907 -4.708 -2.133 1.00 0.00 H new ATOM 0 HB2 ASN B 542 34.468 -5.003 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN B 542 33.098 -5.698 0.729 1.00 0.00 H new ATOM 0 HD21 ASN B 542 35.315 -8.240 -1.204 1.00 0.00 H new ATOM 0 HD22 ASN B 542 35.766 -6.789 -0.302 1.00 0.00 H new ATOM 1334 N PRO B 543 30.624 -5.708 -2.163 1.00 0.00 N ATOM 1335 CA PRO B 543 29.268 -6.264 -2.257 1.00 0.00 C ATOM 1336 C PRO B 543 28.974 -7.352 -1.224 1.00 0.00 C ATOM 1337 O PRO B 543 27.830 -7.525 -0.821 1.00 0.00 O ATOM 1338 CB PRO B 543 29.220 -6.849 -3.669 1.00 0.00 C ATOM 1339 CG PRO B 543 30.209 -6.051 -4.439 1.00 0.00 C ATOM 1340 CD PRO B 543 31.310 -5.723 -3.472 1.00 0.00 C ATOM 0 HA PRO B 543 28.519 -5.497 -2.060 1.00 0.00 H new ATOM 0 HB2 PRO B 543 29.479 -7.908 -3.668 1.00 0.00 H new ATOM 0 HB3 PRO B 543 28.222 -6.765 -4.099 1.00 0.00 H new ATOM 0 HG2 PRO B 543 30.591 -6.616 -5.289 1.00 0.00 H new ATOM 0 HG3 PRO B 543 29.755 -5.144 -4.837 1.00 0.00 H new ATOM 0 HD2 PRO B 543 32.105 -6.468 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO B 543 31.768 -4.760 -3.697 1.00 0.00 H new ATOM 1348 N GLU B 544 29.997 -8.081 -0.789 1.00 0.00 N ATOM 1349 CA GLU B 544 29.793 -9.140 0.198 1.00 0.00 C ATOM 1350 C GLU B 544 29.345 -8.547 1.532 1.00 0.00 C ATOM 1351 O GLU B 544 28.557 -9.154 2.262 1.00 0.00 O ATOM 1352 CB GLU B 544 31.069 -9.970 0.392 1.00 0.00 C ATOM 1353 CG GLU B 544 32.207 -9.213 1.054 1.00 0.00 C ATOM 1354 CD GLU B 544 33.332 -10.119 1.500 1.00 0.00 C ATOM 1355 OE1 GLU B 544 34.059 -10.646 0.635 1.00 0.00 O ATOM 1356 OE2 GLU B 544 33.497 -10.309 2.724 1.00 0.00 O ATOM 0 H GLU B 544 30.962 -7.962 -1.097 1.00 0.00 H new ATOM 0 HA GLU B 544 29.011 -9.800 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU B 544 30.831 -10.847 0.995 1.00 0.00 H new ATOM 0 HB3 GLU B 544 31.405 -10.333 -0.580 1.00 0.00 H new ATOM 0 HG2 GLU B 544 32.598 -8.472 0.357 1.00 0.00 H new ATOM 0 HG3 GLU B 544 31.822 -8.668 1.916 1.00 0.00 H new ATOM 1363 N VAL B 545 29.827 -7.344 1.823 1.00 0.00 N ATOM 1364 CA VAL B 545 29.499 -6.661 3.062 1.00 0.00 C ATOM 1365 C VAL B 545 28.146 -5.966 2.956 1.00 0.00 C ATOM 1366 O VAL B 545 27.263 -6.194 3.785 1.00 0.00 O ATOM 1367 CB VAL B 545 30.580 -5.622 3.440 1.00 0.00 C ATOM 1368 CG1 VAL B 545 30.285 -4.999 4.795 1.00 0.00 C ATOM 1369 CG2 VAL B 545 31.962 -6.260 3.439 1.00 0.00 C ATOM 0 H VAL B 545 30.451 -6.820 1.209 1.00 0.00 H new ATOM 0 HA VAL B 545 29.456 -7.419 3.844 1.00 0.00 H new ATOM 0 HB VAL B 545 30.563 -4.831 2.690 1.00 0.00 H new ATOM 0 HG11 VAL B 545 31.060 -4.272 5.038 1.00 0.00 H new ATOM 0 HG12 VAL B 545 29.316 -4.500 4.763 1.00 0.00 H new ATOM 0 HG13 VAL B 545 30.267 -5.778 5.557 1.00 0.00 H new ATOM 0 HG21 VAL B 545 32.708 -5.512 3.707 1.00 0.00 H new ATOM 0 HG22 VAL B 545 31.987 -7.074 4.163 1.00 0.00 H new ATOM 0 HG23 VAL B 545 32.181 -6.651 2.446 1.00 0.00 H new ATOM 1379 N ARG B 546 27.987 -5.131 1.925 1.00 0.00 N ATOM 1380 CA ARG B 546 26.740 -4.387 1.708 1.00 0.00 C ATOM 1381 C ARG B 546 26.443 -3.491 2.908 1.00 0.00 C ATOM 1382 O ARG B 546 25.291 -3.337 3.314 1.00 0.00 O ATOM 1383 CB ARG B 546 25.567 -5.347 1.474 1.00 0.00 C ATOM 1384 CG ARG B 546 25.431 -5.826 0.038 1.00 0.00 C ATOM 1385 CD ARG B 546 24.753 -7.186 -0.027 1.00 0.00 C ATOM 1386 NE ARG B 546 25.567 -8.229 0.598 1.00 0.00 N ATOM 1387 CZ ARG B 546 25.082 -9.359 1.111 1.00 0.00 C ATOM 1388 NH1 ARG B 546 23.785 -9.630 1.038 1.00 0.00 N ATOM 1389 NH2 ARG B 546 25.902 -10.229 1.687 1.00 0.00 N ATOM 0 H ARG B 546 28.707 -4.952 1.225 1.00 0.00 H new ATOM 0 HA ARG B 546 26.865 -3.767 0.820 1.00 0.00 H new ATOM 0 HB2 ARG B 546 25.686 -6.213 2.125 1.00 0.00 H new ATOM 0 HB3 ARG B 546 24.642 -4.851 1.769 1.00 0.00 H new ATOM 0 HG2 ARG B 546 24.854 -5.101 -0.537 1.00 0.00 H new ATOM 0 HG3 ARG B 546 26.417 -5.886 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG B 546 23.785 -7.134 0.471 1.00 0.00 H new ATOM 0 HD3 ARG B 546 24.563 -7.448 -1.068 1.00 0.00 H new ATOM 0 HE ARG B 546 26.575 -8.081 0.644 1.00 0.00 H new ATOM 0 HH11 ARG B 546 23.151 -8.971 0.586 1.00 0.00 H new ATOM 0 HH12 ARG B 546 23.422 -10.497 1.433 1.00 0.00 H new ATOM 0 HH21 ARG B 546 26.902 -10.032 1.736 1.00 0.00 H new ATOM 0 HH22 ARG B 546 25.533 -11.095 2.080 1.00 0.00 H new ATOM 1403 N PHE B 547 27.511 -2.925 3.476 1.00 0.00 N ATOM 1404 CA PHE B 547 27.436 -2.047 4.649 1.00 0.00 C ATOM 1405 C PHE B 547 27.155 -2.846 5.923 1.00 0.00 C ATOM 1406 O PHE B 547 27.169 -2.295 7.023 1.00 0.00 O ATOM 1407 CB PHE B 547 26.396 -0.939 4.468 1.00 0.00 C ATOM 1408 CG PHE B 547 26.966 0.438 4.660 1.00 0.00 C ATOM 1409 CD1 PHE B 547 27.233 0.918 5.931 1.00 0.00 C ATOM 1410 CD2 PHE B 547 27.241 1.247 3.571 1.00 0.00 C ATOM 1411 CE1 PHE B 547 27.763 2.181 6.113 1.00 0.00 C ATOM 1412 CE2 PHE B 547 27.771 2.511 3.746 1.00 0.00 C ATOM 1413 CZ PHE B 547 28.033 2.979 5.019 1.00 0.00 C ATOM 0 H PHE B 547 28.461 -3.064 3.132 1.00 0.00 H new ATOM 0 HA PHE B 547 28.411 -1.571 4.751 1.00 0.00 H new ATOM 0 HB2 PHE B 547 25.965 -1.012 3.469 1.00 0.00 H new ATOM 0 HB3 PHE B 547 25.583 -1.092 5.178 1.00 0.00 H new ATOM 0 HD1 PHE B 547 27.025 0.298 6.790 1.00 0.00 H new ATOM 0 HD2 PHE B 547 27.039 0.886 2.573 1.00 0.00 H new ATOM 0 HE1 PHE B 547 27.966 2.544 7.110 1.00 0.00 H new ATOM 0 HE2 PHE B 547 27.980 3.133 2.888 1.00 0.00 H new ATOM 0 HZ PHE B 547 28.448 3.966 5.158 1.00 0.00 H new ATOM 1423 N GLN B 548 26.885 -4.141 5.747 1.00 0.00 N ATOM 1424 CA GLN B 548 26.634 -5.084 6.839 1.00 0.00 C ATOM 1425 C GLN B 548 25.359 -4.790 7.637 1.00 0.00 C ATOM 1426 O GLN B 548 24.426 -5.591 7.633 1.00 0.00 O ATOM 1427 CB GLN B 548 27.832 -5.134 7.789 1.00 0.00 C ATOM 1428 CG GLN B 548 27.987 -6.465 8.504 1.00 0.00 C ATOM 1429 CD GLN B 548 29.088 -6.447 9.547 1.00 0.00 C ATOM 1430 OE1 GLN B 548 29.251 -5.320 10.224 1.00 0.00 O flip ATOM 1431 NE2 GLN B 548 29.787 -7.441 9.748 1.00 0.00 N flip ATOM 0 H GLN B 548 26.834 -4.572 4.824 1.00 0.00 H new ATOM 0 HA GLN B 548 26.486 -6.053 6.361 1.00 0.00 H new ATOM 0 HB2 GLN B 548 28.741 -4.926 7.225 1.00 0.00 H new ATOM 0 HB3 GLN B 548 27.730 -4.342 8.531 1.00 0.00 H new ATOM 0 HG2 GLN B 548 27.043 -6.727 8.983 1.00 0.00 H new ATOM 0 HG3 GLN B 548 28.200 -7.243 7.771 1.00 0.00 H new ATOM 0 HE21 GLN B 548 29.632 -8.291 9.207 1.00 0.00 H new ATOM 0 HE22 GLN B 548 30.521 -7.414 10.456 1.00 0.00 H new ATOM 1440 N GLN B 549 25.306 -3.644 8.299 1.00 0.00 N ATOM 1441 CA GLN B 549 24.163 -3.305 9.140 1.00 0.00 C ATOM 1442 C GLN B 549 23.078 -2.536 8.388 1.00 0.00 C ATOM 1443 O GLN B 549 21.891 -2.756 8.618 1.00 0.00 O ATOM 1444 CB GLN B 549 24.626 -2.494 10.351 1.00 0.00 C ATOM 1445 CG GLN B 549 25.684 -3.194 11.193 1.00 0.00 C ATOM 1446 CD GLN B 549 25.203 -4.499 11.808 1.00 0.00 C ATOM 1447 OE1 GLN B 549 23.928 -4.567 12.164 1.00 0.00 O flip ATOM 1448 NE2 GLN B 549 25.984 -5.438 11.974 1.00 0.00 N flip ATOM 0 H GLN B 549 26.038 -2.934 8.272 1.00 0.00 H new ATOM 0 HA GLN B 549 23.721 -4.247 9.465 1.00 0.00 H new ATOM 0 HB2 GLN B 549 25.023 -1.539 10.006 1.00 0.00 H new ATOM 0 HB3 GLN B 549 23.763 -2.273 10.979 1.00 0.00 H new ATOM 0 HG2 GLN B 549 26.557 -3.394 10.572 1.00 0.00 H new ATOM 0 HG3 GLN B 549 26.006 -2.523 11.989 1.00 0.00 H new ATOM 0 HE21 GLN B 549 26.959 -5.348 11.687 1.00 0.00 H new ATOM 0 HE22 GLN B 549 25.656 -6.305 12.399 1.00 0.00 H new ATOM 1457 N GLN B 550 23.471 -1.647 7.481 1.00 0.00 N ATOM 1458 CA GLN B 550 22.495 -0.850 6.735 1.00 0.00 C ATOM 1459 C GLN B 550 21.668 -1.726 5.803 1.00 0.00 C ATOM 1460 O GLN B 550 20.507 -1.424 5.515 1.00 0.00 O ATOM 1461 CB GLN B 550 23.189 0.257 5.942 1.00 0.00 C ATOM 1462 CG GLN B 550 23.870 1.288 6.827 1.00 0.00 C ATOM 1463 CD GLN B 550 22.879 2.160 7.572 1.00 0.00 C ATOM 1464 OE1 GLN B 550 22.586 3.326 7.022 1.00 0.00 O flip ATOM 1465 NE2 GLN B 550 22.387 1.790 8.640 1.00 0.00 N flip ATOM 0 H GLN B 550 24.445 -1.459 7.245 1.00 0.00 H new ATOM 0 HA GLN B 550 21.822 -0.390 7.459 1.00 0.00 H new ATOM 0 HB2 GLN B 550 23.930 -0.189 5.279 1.00 0.00 H new ATOM 0 HB3 GLN B 550 22.455 0.757 5.310 1.00 0.00 H new ATOM 0 HG2 GLN B 550 24.512 0.778 7.545 1.00 0.00 H new ATOM 0 HG3 GLN B 550 24.515 1.918 6.215 1.00 0.00 H new ATOM 0 HE21 GLN B 550 22.640 0.882 9.031 1.00 0.00 H new ATOM 0 HE22 GLN B 550 21.727 2.392 9.133 1.00 0.00 H new ATOM 1474 N LEU B 551 22.264 -2.818 5.347 1.00 0.00 N ATOM 1475 CA LEU B 551 21.579 -3.750 4.461 1.00 0.00 C ATOM 1476 C LEU B 551 20.402 -4.403 5.179 1.00 0.00 C ATOM 1477 O LEU B 551 19.439 -4.839 4.548 1.00 0.00 O ATOM 1478 CB LEU B 551 22.546 -4.829 3.970 1.00 0.00 C ATOM 1479 CG LEU B 551 21.909 -5.939 3.129 1.00 0.00 C ATOM 1480 CD1 LEU B 551 21.701 -5.478 1.693 1.00 0.00 C ATOM 1481 CD2 LEU B 551 22.759 -7.197 3.178 1.00 0.00 C ATOM 0 H LEU B 551 23.222 -3.081 5.576 1.00 0.00 H new ATOM 0 HA LEU B 551 21.205 -3.191 3.603 1.00 0.00 H new ATOM 0 HB2 LEU B 551 23.329 -4.352 3.381 1.00 0.00 H new ATOM 0 HB3 LEU B 551 23.030 -5.282 4.835 1.00 0.00 H new ATOM 0 HG LEU B 551 20.931 -6.172 3.551 1.00 0.00 H new ATOM 0 HD11 LEU B 551 21.247 -6.283 1.115 1.00 0.00 H new ATOM 0 HD12 LEU B 551 21.044 -4.608 1.682 1.00 0.00 H new ATOM 0 HD13 LEU B 551 22.662 -5.212 1.253 1.00 0.00 H new ATOM 0 HD21 LEU B 551 22.292 -7.976 2.575 1.00 0.00 H new ATOM 0 HD22 LEU B 551 23.752 -6.981 2.785 1.00 0.00 H new ATOM 0 HD23 LEU B 551 22.844 -7.539 4.210 1.00 0.00 H new ATOM 1493 N GLU B 552 20.462 -4.417 6.504 1.00 0.00 N ATOM 1494 CA GLU B 552 19.415 -5.023 7.312 1.00 0.00 C ATOM 1495 C GLU B 552 18.216 -4.082 7.413 1.00 0.00 C ATOM 1496 O GLU B 552 17.115 -4.494 7.769 1.00 0.00 O ATOM 1497 CB GLU B 552 19.959 -5.351 8.705 1.00 0.00 C ATOM 1498 CG GLU B 552 19.072 -6.282 9.514 1.00 0.00 C ATOM 1499 CD GLU B 552 18.997 -7.677 8.931 1.00 0.00 C ATOM 1500 OE1 GLU B 552 19.998 -8.420 9.022 1.00 0.00 O ATOM 1501 OE2 GLU B 552 17.930 -8.043 8.391 1.00 0.00 O ATOM 0 H GLU B 552 21.228 -4.014 7.043 1.00 0.00 H new ATOM 0 HA GLU B 552 19.087 -5.948 6.837 1.00 0.00 H new ATOM 0 HB2 GLU B 552 20.944 -5.805 8.601 1.00 0.00 H new ATOM 0 HB3 GLU B 552 20.093 -4.422 9.259 1.00 0.00 H new ATOM 0 HG2 GLU B 552 19.450 -6.340 10.535 1.00 0.00 H new ATOM 0 HG3 GLU B 552 18.068 -5.862 9.569 1.00 0.00 H new ATOM 1508 N GLN B 553 18.438 -2.815 7.079 1.00 0.00 N ATOM 1509 CA GLN B 553 17.381 -1.813 7.126 1.00 0.00 C ATOM 1510 C GLN B 553 16.709 -1.688 5.767 1.00 0.00 C ATOM 1511 O GLN B 553 15.489 -1.577 5.673 1.00 0.00 O ATOM 1512 CB GLN B 553 17.940 -0.452 7.550 1.00 0.00 C ATOM 1513 CG GLN B 553 17.833 -0.171 9.040 1.00 0.00 C ATOM 1514 CD GLN B 553 18.646 -1.135 9.876 1.00 0.00 C ATOM 1515 OE1 GLN B 553 18.139 -2.161 10.332 1.00 0.00 O ATOM 1516 NE2 GLN B 553 19.913 -0.814 10.082 1.00 0.00 N ATOM 0 H GLN B 553 19.343 -2.458 6.772 1.00 0.00 H new ATOM 0 HA GLN B 553 16.645 -2.135 7.862 1.00 0.00 H new ATOM 0 HB2 GLN B 553 18.988 -0.394 7.255 1.00 0.00 H new ATOM 0 HB3 GLN B 553 17.412 0.331 7.005 1.00 0.00 H new ATOM 0 HG2 GLN B 553 18.168 0.847 9.238 1.00 0.00 H new ATOM 0 HG3 GLN B 553 16.787 -0.227 9.342 1.00 0.00 H new ATOM 0 HE21 GLN B 553 20.292 0.046 9.685 1.00 0.00 H new ATOM 0 HE22 GLN B 553 20.510 -1.426 10.637 1.00 0.00 H new ATOM 1525 N LEU B 554 17.516 -1.722 4.713 1.00 0.00 N ATOM 1526 CA LEU B 554 17.004 -1.604 3.354 1.00 0.00 C ATOM 1527 C LEU B 554 16.218 -2.853 2.965 1.00 0.00 C ATOM 1528 O LEU B 554 15.162 -2.763 2.341 1.00 0.00 O ATOM 1529 CB LEU B 554 18.154 -1.370 2.375 1.00 0.00 C ATOM 1530 CG LEU B 554 18.785 0.023 2.445 1.00 0.00 C ATOM 1531 CD1 LEU B 554 20.293 -0.060 2.262 1.00 0.00 C ATOM 1532 CD2 LEU B 554 18.173 0.938 1.395 1.00 0.00 C ATOM 0 H LEU B 554 18.528 -1.830 4.774 1.00 0.00 H new ATOM 0 HA LEU B 554 16.329 -0.749 3.311 1.00 0.00 H new ATOM 0 HB2 LEU B 554 18.928 -2.114 2.562 1.00 0.00 H new ATOM 0 HB3 LEU B 554 17.789 -1.537 1.362 1.00 0.00 H new ATOM 0 HG LEU B 554 18.581 0.441 3.431 1.00 0.00 H new ATOM 0 HD11 LEU B 554 20.722 0.941 2.315 1.00 0.00 H new ATOM 0 HD12 LEU B 554 20.721 -0.680 3.049 1.00 0.00 H new ATOM 0 HD13 LEU B 554 20.518 -0.500 1.290 1.00 0.00 H new ATOM 0 HD21 LEU B 554 18.633 1.924 1.459 1.00 0.00 H new ATOM 0 HD22 LEU B 554 18.346 0.520 0.403 1.00 0.00 H new ATOM 0 HD23 LEU B 554 17.101 1.026 1.570 1.00 0.00 H new ATOM 1544 N SER B 555 16.723 -4.016 3.357 1.00 0.00 N ATOM 1545 CA SER B 555 16.055 -5.271 3.044 1.00 0.00 C ATOM 1546 C SER B 555 14.820 -5.454 3.926 1.00 0.00 C ATOM 1547 O SER B 555 13.919 -6.229 3.595 1.00 0.00 O ATOM 1548 CB SER B 555 17.020 -6.441 3.215 1.00 0.00 C ATOM 1549 OG SER B 555 18.240 -6.189 2.533 1.00 0.00 O ATOM 0 H SER B 555 17.588 -4.116 3.889 1.00 0.00 H new ATOM 0 HA SER B 555 15.729 -5.243 2.004 1.00 0.00 H new ATOM 0 HB2 SER B 555 17.217 -6.605 4.275 1.00 0.00 H new ATOM 0 HB3 SER B 555 16.565 -7.354 2.831 1.00 0.00 H new ATOM 0 HG SER B 555 18.785 -5.566 3.057 1.00 0.00 H new ATOM 1555 N ALA B 556 14.777 -4.713 5.035 1.00 0.00 N ATOM 1556 CA ALA B 556 13.648 -4.775 5.962 1.00 0.00 C ATOM 1557 C ALA B 556 12.411 -4.160 5.326 1.00 0.00 C ATOM 1558 O ALA B 556 11.290 -4.346 5.797 1.00 0.00 O ATOM 1559 CB ALA B 556 13.984 -4.060 7.262 1.00 0.00 C ATOM 0 H ALA B 556 15.512 -4.063 5.312 1.00 0.00 H new ATOM 0 HA ALA B 556 13.443 -5.821 6.188 1.00 0.00 H new ATOM 0 HB1 ALA B 556 13.132 -4.117 7.939 1.00 0.00 H new ATOM 0 HB2 ALA B 556 14.848 -4.535 7.726 1.00 0.00 H new ATOM 0 HB3 ALA B 556 14.213 -3.015 7.054 1.00 0.00 H new ATOM 1565 N MET B 557 12.627 -3.425 4.247 1.00 0.00 N ATOM 1566 CA MET B 557 11.540 -2.790 3.527 1.00 0.00 C ATOM 1567 C MET B 557 11.084 -3.672 2.374 1.00 0.00 C ATOM 1568 O MET B 557 10.327 -3.240 1.509 1.00 0.00 O ATOM 1569 CB MET B 557 11.966 -1.415 3.016 1.00 0.00 C ATOM 1570 CG MET B 557 11.776 -0.311 4.042 1.00 0.00 C ATOM 1571 SD MET B 557 10.044 0.146 4.258 1.00 0.00 S ATOM 1572 CE MET B 557 9.682 0.861 2.656 1.00 0.00 C ATOM 0 H MET B 557 13.551 -3.254 3.851 1.00 0.00 H new ATOM 0 HA MET B 557 10.703 -2.655 4.212 1.00 0.00 H new ATOM 0 HB2 MET B 557 13.015 -1.453 2.722 1.00 0.00 H new ATOM 0 HB3 MET B 557 11.393 -1.173 2.121 1.00 0.00 H new ATOM 0 HG2 MET B 557 12.184 -0.636 4.999 1.00 0.00 H new ATOM 0 HG3 MET B 557 12.344 0.567 3.735 1.00 0.00 H new ATOM 0 HE1 MET B 557 8.751 1.425 2.711 1.00 0.00 H new ATOM 0 HE2 MET B 557 10.493 1.527 2.363 1.00 0.00 H new ATOM 0 HE3 MET B 557 9.581 0.066 1.917 1.00 0.00 H new ATOM 1582 N GLY B 558 11.542 -4.919 2.383 1.00 0.00 N ATOM 1583 CA GLY B 558 11.169 -5.859 1.348 1.00 0.00 C ATOM 1584 C GLY B 558 11.822 -5.547 0.021 1.00 0.00 C ATOM 1585 O GLY B 558 11.157 -5.111 -0.914 1.00 0.00 O ATOM 0 H GLY B 558 12.169 -5.295 3.094 1.00 0.00 H new ATOM 0 HA2 GLY B 558 11.447 -6.866 1.659 1.00 0.00 H new ATOM 0 HA3 GLY B 558 10.086 -5.851 1.227 1.00 0.00 H new ATOM 1589 N PHE B 559 13.127 -5.752 -0.055 1.00 0.00 N ATOM 1590 CA PHE B 559 13.869 -5.499 -1.281 1.00 0.00 C ATOM 1591 C PHE B 559 14.648 -6.742 -1.684 1.00 0.00 C ATOM 1592 O PHE B 559 15.309 -7.368 -0.854 1.00 0.00 O ATOM 1593 CB PHE B 559 14.812 -4.307 -1.108 1.00 0.00 C ATOM 1594 CG PHE B 559 14.154 -2.981 -1.371 1.00 0.00 C ATOM 1595 CD1 PHE B 559 13.461 -2.324 -0.368 1.00 0.00 C ATOM 1596 CD2 PHE B 559 14.225 -2.395 -2.625 1.00 0.00 C ATOM 1597 CE1 PHE B 559 12.850 -1.107 -0.610 1.00 0.00 C ATOM 1598 CE2 PHE B 559 13.617 -1.180 -2.872 1.00 0.00 C ATOM 1599 CZ PHE B 559 12.928 -0.534 -1.864 1.00 0.00 C ATOM 0 H PHE B 559 13.696 -6.094 0.719 1.00 0.00 H new ATOM 0 HA PHE B 559 13.160 -5.256 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE B 559 15.209 -4.312 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE B 559 15.660 -4.423 -1.783 1.00 0.00 H new ATOM 0 HD1 PHE B 559 13.397 -2.767 0.615 1.00 0.00 H new ATOM 0 HD2 PHE B 559 14.762 -2.894 -3.418 1.00 0.00 H new ATOM 0 HE1 PHE B 559 12.312 -0.605 0.181 1.00 0.00 H new ATOM 0 HE2 PHE B 559 13.680 -0.735 -3.854 1.00 0.00 H new ATOM 0 HZ PHE B 559 12.452 0.416 -2.056 1.00 0.00 H new ATOM 1609 N LEU B 560 14.565 -7.096 -2.958 1.00 0.00 N ATOM 1610 CA LEU B 560 15.254 -8.275 -3.468 1.00 0.00 C ATOM 1611 C LEU B 560 16.606 -7.896 -4.065 1.00 0.00 C ATOM 1612 O LEU B 560 17.428 -8.761 -4.374 1.00 0.00 O ATOM 1613 CB LEU B 560 14.390 -8.985 -4.519 1.00 0.00 C ATOM 1614 CG LEU B 560 12.911 -9.155 -4.154 1.00 0.00 C ATOM 1615 CD1 LEU B 560 12.170 -9.895 -5.256 1.00 0.00 C ATOM 1616 CD2 LEU B 560 12.763 -9.889 -2.829 1.00 0.00 C ATOM 0 H LEU B 560 14.028 -6.585 -3.658 1.00 0.00 H new ATOM 0 HA LEU B 560 15.426 -8.957 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU B 560 14.454 -8.427 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU B 560 14.815 -9.971 -4.707 1.00 0.00 H new ATOM 0 HG LEU B 560 12.472 -8.163 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU B 560 11.122 -10.006 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU B 560 12.242 -9.330 -6.185 1.00 0.00 H new ATOM 0 HD13 LEU B 560 12.615 -10.880 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU B 560 11.705 -9.998 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU B 560 13.221 -10.875 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU B 560 13.256 -9.320 -2.041 1.00 0.00 H new ATOM 1628 N ASN B 561 16.832 -6.600 -4.220 1.00 0.00 N ATOM 1629 CA ASN B 561 18.086 -6.098 -4.773 1.00 0.00 C ATOM 1630 C ASN B 561 19.137 -6.018 -3.668 1.00 0.00 C ATOM 1631 O ASN B 561 18.798 -5.962 -2.482 1.00 0.00 O ATOM 1632 CB ASN B 561 17.868 -4.723 -5.417 1.00 0.00 C ATOM 1633 CG ASN B 561 18.895 -4.395 -6.491 1.00 0.00 C ATOM 1634 OD1 ASN B 561 20.094 -4.622 -6.322 1.00 0.00 O ATOM 1635 ND2 ASN B 561 18.432 -3.853 -7.606 1.00 0.00 N ATOM 0 H ASN B 561 16.162 -5.873 -3.970 1.00 0.00 H new ATOM 0 HA ASN B 561 18.440 -6.782 -5.545 1.00 0.00 H new ATOM 0 HB2 ASN B 561 16.870 -4.688 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN B 561 17.904 -3.956 -4.643 1.00 0.00 H new ATOM 0 HD21 ASN B 561 19.075 -3.609 -8.360 1.00 0.00 H new ATOM 0 HD22 ASN B 561 17.433 -3.679 -7.712 1.00 0.00 H new ATOM 1642 N ARG B 562 20.406 -6.033 -4.048 1.00 0.00 N ATOM 1643 CA ARG B 562 21.492 -5.972 -3.080 1.00 0.00 C ATOM 1644 C ARG B 562 22.499 -4.889 -3.449 1.00 0.00 C ATOM 1645 O ARG B 562 22.848 -4.047 -2.619 1.00 0.00 O ATOM 1646 CB ARG B 562 22.199 -7.328 -2.985 1.00 0.00 C ATOM 1647 CG ARG B 562 21.302 -8.459 -2.506 1.00 0.00 C ATOM 1648 CD ARG B 562 20.793 -8.208 -1.096 1.00 0.00 C ATOM 1649 NE ARG B 562 19.937 -9.292 -0.619 1.00 0.00 N ATOM 1650 CZ ARG B 562 18.614 -9.199 -0.485 1.00 0.00 C ATOM 1651 NH1 ARG B 562 17.976 -8.086 -0.830 1.00 0.00 N ATOM 1652 NH2 ARG B 562 17.928 -10.232 -0.019 1.00 0.00 N ATOM 0 H ARG B 562 20.710 -6.087 -5.020 1.00 0.00 H new ATOM 0 HA ARG B 562 21.060 -5.724 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG B 562 22.601 -7.586 -3.965 1.00 0.00 H new ATOM 0 HB3 ARG B 562 23.047 -7.238 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG B 562 20.456 -8.567 -3.185 1.00 0.00 H new ATOM 0 HG3 ARG B 562 21.854 -9.399 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG B 562 21.641 -8.092 -0.420 1.00 0.00 H new ATOM 0 HD3 ARG B 562 20.237 -7.271 -1.073 1.00 0.00 H new ATOM 0 HE ARG B 562 20.380 -10.177 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG B 562 18.499 -7.293 -1.201 1.00 0.00 H new ATOM 0 HH12 ARG B 562 16.963 -8.025 -0.724 1.00 0.00 H new ATOM 0 HH21 ARG B 562 18.412 -11.093 0.235 1.00 0.00 H new ATOM 0 HH22 ARG B 562 16.916 -10.166 0.086 1.00 0.00 H new ATOM 1666 N GLU B 563 22.955 -4.908 -4.697 1.00 0.00 N ATOM 1667 CA GLU B 563 23.932 -3.936 -5.174 1.00 0.00 C ATOM 1668 C GLU B 563 23.355 -2.524 -5.166 1.00 0.00 C ATOM 1669 O GLU B 563 23.980 -1.593 -4.657 1.00 0.00 O ATOM 1670 CB GLU B 563 24.407 -4.297 -6.583 1.00 0.00 C ATOM 1671 CG GLU B 563 25.598 -5.244 -6.607 1.00 0.00 C ATOM 1672 CD GLU B 563 25.229 -6.674 -6.269 1.00 0.00 C ATOM 1673 OE1 GLU B 563 24.468 -7.296 -7.043 1.00 0.00 O ATOM 1674 OE2 GLU B 563 25.711 -7.191 -5.242 1.00 0.00 O ATOM 0 H GLU B 563 22.662 -5.588 -5.398 1.00 0.00 H new ATOM 0 HA GLU B 563 24.784 -3.963 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU B 563 23.581 -4.753 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU B 563 24.672 -3.382 -7.112 1.00 0.00 H new ATOM 0 HG2 GLU B 563 26.055 -5.217 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU B 563 26.348 -4.892 -5.899 1.00 0.00 H new ATOM 1681 N ALA B 564 22.166 -2.374 -5.741 1.00 0.00 N ATOM 1682 CA ALA B 564 21.500 -1.077 -5.793 1.00 0.00 C ATOM 1683 C ALA B 564 21.277 -0.520 -4.391 1.00 0.00 C ATOM 1684 O ALA B 564 21.392 0.683 -4.170 1.00 0.00 O ATOM 1685 CB ALA B 564 20.180 -1.181 -6.535 1.00 0.00 C ATOM 0 H ALA B 564 21.644 -3.134 -6.177 1.00 0.00 H new ATOM 0 HA ALA B 564 22.150 -0.389 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA B 564 19.700 -0.203 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA B 564 20.361 -1.525 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA B 564 19.530 -1.890 -6.023 1.00 0.00 H new ATOM 1691 N ASN B 565 20.973 -1.406 -3.450 1.00 0.00 N ATOM 1692 CA ASN B 565 20.741 -1.012 -2.061 1.00 0.00 C ATOM 1693 C ASN B 565 21.993 -0.369 -1.477 1.00 0.00 C ATOM 1694 O ASN B 565 21.924 0.661 -0.807 1.00 0.00 O ATOM 1695 CB ASN B 565 20.342 -2.227 -1.213 1.00 0.00 C ATOM 1696 CG ASN B 565 18.955 -2.750 -1.540 1.00 0.00 C ATOM 1697 OD1 ASN B 565 18.486 -2.647 -2.671 1.00 0.00 O ATOM 1698 ND2 ASN B 565 18.293 -3.329 -0.549 1.00 0.00 N ATOM 0 H ASN B 565 20.881 -2.407 -3.622 1.00 0.00 H new ATOM 0 HA ASN B 565 19.926 -0.289 -2.045 1.00 0.00 H new ATOM 0 HB2 ASN B 565 21.070 -3.024 -1.365 1.00 0.00 H new ATOM 0 HB3 ASN B 565 20.382 -1.956 -0.158 1.00 0.00 H new ATOM 0 HD21 ASN B 565 17.360 -3.708 -0.712 1.00 0.00 H new ATOM 0 HD22 ASN B 565 18.716 -3.395 0.377 1.00 0.00 H new ATOM 1705 N LEU B 566 23.138 -0.981 -1.752 1.00 0.00 N ATOM 1706 CA LEU B 566 24.415 -0.479 -1.264 1.00 0.00 C ATOM 1707 C LEU B 566 24.775 0.842 -1.940 1.00 0.00 C ATOM 1708 O LEU B 566 25.316 1.743 -1.305 1.00 0.00 O ATOM 1709 CB LEU B 566 25.518 -1.519 -1.507 1.00 0.00 C ATOM 1710 CG LEU B 566 26.936 -1.075 -1.133 1.00 0.00 C ATOM 1711 CD1 LEU B 566 27.038 -0.786 0.357 1.00 0.00 C ATOM 1712 CD2 LEU B 566 27.949 -2.134 -1.543 1.00 0.00 C ATOM 0 H LEU B 566 23.208 -1.830 -2.313 1.00 0.00 H new ATOM 0 HA LEU B 566 24.327 -0.299 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.276 -2.419 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU B 566 25.508 -1.794 -2.562 1.00 0.00 H new ATOM 0 HG LEU B 566 27.159 -0.154 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU B 566 28.054 -0.473 0.598 1.00 0.00 H new ATOM 0 HD12 LEU B 566 26.341 0.009 0.622 1.00 0.00 H new ATOM 0 HD13 LEU B 566 26.793 -1.687 0.920 1.00 0.00 H new ATOM 0 HD21 LEU B 566 28.951 -1.804 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU B 566 27.724 -3.070 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU B 566 27.898 -2.288 -2.621 1.00 0.00 H new ATOM 1724 N GLN B 567 24.426 0.969 -3.213 1.00 0.00 N ATOM 1725 CA GLN B 567 24.727 2.178 -3.974 1.00 0.00 C ATOM 1726 C GLN B 567 23.871 3.333 -3.464 1.00 0.00 C ATOM 1727 O GLN B 567 24.356 4.443 -3.239 1.00 0.00 O ATOM 1728 CB GLN B 567 24.464 1.940 -5.461 1.00 0.00 C ATOM 1729 CG GLN B 567 25.149 2.937 -6.376 1.00 0.00 C ATOM 1730 CD GLN B 567 24.720 2.779 -7.819 1.00 0.00 C ATOM 1731 OE1 GLN B 567 23.773 3.421 -8.273 1.00 0.00 O ATOM 1732 NE2 GLN B 567 25.403 1.915 -8.548 1.00 0.00 N ATOM 0 H GLN B 567 23.934 0.250 -3.743 1.00 0.00 H new ATOM 0 HA GLN B 567 25.779 2.432 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN B 567 24.796 0.935 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN B 567 23.389 1.977 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN B 567 24.924 3.949 -6.041 1.00 0.00 H new ATOM 0 HG3 GLN B 567 26.229 2.811 -6.304 1.00 0.00 H new ATOM 0 HE21 GLN B 567 26.182 1.402 -8.135 1.00 0.00 H new ATOM 0 HE22 GLN B 567 25.152 1.761 -9.524 1.00 0.00 H new ATOM 1741 N ALA B 568 22.591 3.038 -3.280 1.00 0.00 N ATOM 1742 CA ALA B 568 21.629 4.013 -2.777 1.00 0.00 C ATOM 1743 C ALA B 568 22.056 4.534 -1.405 1.00 0.00 C ATOM 1744 O ALA B 568 21.819 5.695 -1.063 1.00 0.00 O ATOM 1745 CB ALA B 568 20.237 3.402 -2.705 1.00 0.00 C ATOM 0 H ALA B 568 22.190 2.120 -3.474 1.00 0.00 H new ATOM 0 HA ALA B 568 21.601 4.854 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA B 568 19.533 4.144 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA B 568 19.928 3.082 -3.700 1.00 0.00 H new ATOM 0 HB3 ALA B 568 20.251 2.542 -2.035 1.00 0.00 H new ATOM 1751 N LEU B 569 22.701 3.667 -0.634 1.00 0.00 N ATOM 1752 CA LEU B 569 23.175 4.028 0.696 1.00 0.00 C ATOM 1753 C LEU B 569 24.405 4.932 0.601 1.00 0.00 C ATOM 1754 O LEU B 569 24.578 5.845 1.408 1.00 0.00 O ATOM 1755 CB LEU B 569 23.490 2.773 1.519 1.00 0.00 C ATOM 1756 CG LEU B 569 23.225 2.885 3.029 1.00 0.00 C ATOM 1757 CD1 LEU B 569 24.352 3.632 3.726 1.00 0.00 C ATOM 1758 CD2 LEU B 569 21.893 3.574 3.294 1.00 0.00 C ATOM 0 H LEU B 569 22.908 2.707 -0.908 1.00 0.00 H new ATOM 0 HA LEU B 569 22.382 4.578 1.203 1.00 0.00 H new ATOM 0 HB2 LEU B 569 22.901 1.945 1.125 1.00 0.00 H new ATOM 0 HB3 LEU B 569 24.539 2.517 1.370 1.00 0.00 H new ATOM 0 HG LEU B 569 23.180 1.875 3.435 1.00 0.00 H new ATOM 0 HD11 LEU B 569 24.140 3.697 4.793 1.00 0.00 H new ATOM 0 HD12 LEU B 569 25.290 3.098 3.575 1.00 0.00 H new ATOM 0 HD13 LEU B 569 24.434 4.636 3.310 1.00 0.00 H new ATOM 0 HD21 LEU B 569 21.726 3.642 4.369 1.00 0.00 H new ATOM 0 HD22 LEU B 569 21.910 4.576 2.865 1.00 0.00 H new ATOM 0 HD23 LEU B 569 21.088 2.998 2.838 1.00 0.00 H new ATOM 1770 N ILE B 570 25.243 4.690 -0.399 1.00 0.00 N ATOM 1771 CA ILE B 570 26.443 5.498 -0.593 1.00 0.00 C ATOM 1772 C ILE B 570 26.051 6.889 -1.083 1.00 0.00 C ATOM 1773 O ILE B 570 26.580 7.901 -0.619 1.00 0.00 O ATOM 1774 CB ILE B 570 27.424 4.859 -1.605 1.00 0.00 C ATOM 1775 CG1 ILE B 570 27.796 3.432 -1.183 1.00 0.00 C ATOM 1776 CG2 ILE B 570 28.680 5.710 -1.748 1.00 0.00 C ATOM 1777 CD1 ILE B 570 28.373 3.331 0.212 1.00 0.00 C ATOM 0 H ILE B 570 25.116 3.946 -1.085 1.00 0.00 H new ATOM 0 HA ILE B 570 26.951 5.561 0.369 1.00 0.00 H new ATOM 0 HB ILE B 570 26.923 4.811 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE B 570 26.908 2.803 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE B 570 28.519 3.031 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE B 570 29.356 5.243 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE B 570 28.407 6.704 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE B 570 29.176 5.792 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE B 570 28.609 2.290 0.433 1.00 0.00 H new ATOM 0 HD12 ILE B 570 29.281 3.931 0.274 1.00 0.00 H new ATOM 0 HD13 ILE B 570 27.645 3.699 0.935 1.00 0.00 H new ATOM 1789 N ALA B 571 25.108 6.917 -2.016 1.00 0.00 N ATOM 1790 CA ALA B 571 24.612 8.165 -2.586 1.00 0.00 C ATOM 1791 C ALA B 571 23.995 9.067 -1.520 1.00 0.00 C ATOM 1792 O ALA B 571 24.121 10.292 -1.586 1.00 0.00 O ATOM 1793 CB ALA B 571 23.590 7.865 -3.671 1.00 0.00 C ATOM 0 H ALA B 571 24.667 6.080 -2.398 1.00 0.00 H new ATOM 0 HA ALA B 571 25.460 8.697 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA B 571 23.223 8.800 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA B 571 24.057 7.271 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA B 571 22.757 7.309 -3.242 1.00 0.00 H new ATOM 1799 N THR B 572 23.331 8.466 -0.544 1.00 0.00 N ATOM 1800 CA THR B 572 22.695 9.225 0.523 1.00 0.00 C ATOM 1801 C THR B 572 23.681 9.543 1.642 1.00 0.00 C ATOM 1802 O THR B 572 23.720 10.665 2.150 1.00 0.00 O ATOM 1803 CB THR B 572 21.493 8.462 1.100 1.00 0.00 C ATOM 1804 OG1 THR B 572 21.818 7.072 1.231 1.00 0.00 O ATOM 1805 CG2 THR B 572 20.276 8.623 0.204 1.00 0.00 C ATOM 0 H THR B 572 23.218 7.455 -0.469 1.00 0.00 H new ATOM 0 HA THR B 572 22.347 10.162 0.088 1.00 0.00 H new ATOM 0 HB THR B 572 21.259 8.874 2.081 1.00 0.00 H new ATOM 0 HG1 THR B 572 21.494 6.585 0.445 1.00 0.00 H new ATOM 0 HG21 THR B 572 19.435 8.075 0.630 1.00 0.00 H new ATOM 0 HG22 THR B 572 20.019 9.679 0.126 1.00 0.00 H new ATOM 0 HG23 THR B 572 20.500 8.230 -0.788 1.00 0.00 H new ATOM 1813 N GLY B 573 24.470 8.548 2.027 1.00 0.00 N ATOM 1814 CA GLY B 573 25.449 8.738 3.078 1.00 0.00 C ATOM 1815 C GLY B 573 24.939 8.287 4.431 1.00 0.00 C ATOM 1816 O GLY B 573 25.631 8.422 5.441 1.00 0.00 O ATOM 0 H GLY B 573 24.448 7.610 1.628 1.00 0.00 H new ATOM 0 HA2 GLY B 573 26.355 8.184 2.831 1.00 0.00 H new ATOM 0 HA3 GLY B 573 25.723 9.792 3.129 1.00 0.00 H new ATOM 1820 N GLY B 574 23.731 7.742 4.456 1.00 0.00 N ATOM 1821 CA GLY B 574 23.161 7.286 5.707 1.00 0.00 C ATOM 1822 C GLY B 574 21.657 7.443 5.760 1.00 0.00 C ATOM 1823 O GLY B 574 20.984 6.741 6.519 1.00 0.00 O ATOM 0 H GLY B 574 23.138 7.608 3.637 1.00 0.00 H new ATOM 0 HA2 GLY B 574 23.417 6.237 5.856 1.00 0.00 H new ATOM 0 HA3 GLY B 574 23.609 7.844 6.529 1.00 0.00 H new ATOM 1827 N ASP B 575 21.128 8.372 4.969 1.00 0.00 N ATOM 1828 CA ASP B 575 19.685 8.607 4.923 1.00 0.00 C ATOM 1829 C ASP B 575 18.988 7.453 4.212 1.00 0.00 C ATOM 1830 O ASP B 575 18.754 7.497 3.004 1.00 0.00 O ATOM 1831 CB ASP B 575 19.367 9.925 4.215 1.00 0.00 C ATOM 1832 CG ASP B 575 18.031 10.511 4.641 1.00 0.00 C ATOM 1833 OD1 ASP B 575 17.024 9.766 4.671 1.00 0.00 O ATOM 1834 OD2 ASP B 575 17.980 11.724 4.944 1.00 0.00 O ATOM 0 H ASP B 575 21.674 8.974 4.352 1.00 0.00 H new ATOM 0 HA ASP B 575 19.318 8.671 5.948 1.00 0.00 H new ATOM 0 HB2 ASP B 575 20.158 10.645 4.424 1.00 0.00 H new ATOM 0 HB3 ASP B 575 19.361 9.762 3.137 1.00 0.00 H new ATOM 1839 N ILE B 576 18.683 6.415 4.978 1.00 0.00 N ATOM 1840 CA ILE B 576 18.028 5.223 4.456 1.00 0.00 C ATOM 1841 C ILE B 576 16.692 5.555 3.802 1.00 0.00 C ATOM 1842 O ILE B 576 16.378 5.039 2.731 1.00 0.00 O ATOM 1843 CB ILE B 576 17.808 4.173 5.568 1.00 0.00 C ATOM 1844 CG1 ILE B 576 19.103 3.951 6.353 1.00 0.00 C ATOM 1845 CG2 ILE B 576 17.321 2.859 4.970 1.00 0.00 C ATOM 1846 CD1 ILE B 576 18.910 3.183 7.643 1.00 0.00 C ATOM 0 H ILE B 576 18.882 6.375 5.978 1.00 0.00 H new ATOM 0 HA ILE B 576 18.692 4.807 3.699 1.00 0.00 H new ATOM 0 HB ILE B 576 17.045 4.547 6.251 1.00 0.00 H new ATOM 0 HG12 ILE B 576 19.811 3.413 5.723 1.00 0.00 H new ATOM 0 HG13 ILE B 576 19.550 4.919 6.580 1.00 0.00 H new ATOM 0 HG21 ILE B 576 17.171 2.130 5.767 1.00 0.00 H new ATOM 0 HG22 ILE B 576 16.379 3.024 4.447 1.00 0.00 H new ATOM 0 HG23 ILE B 576 18.064 2.481 4.268 1.00 0.00 H new ATOM 0 HD11 ILE B 576 19.871 3.065 8.143 1.00 0.00 H new ATOM 0 HD12 ILE B 576 18.227 3.730 8.293 1.00 0.00 H new ATOM 0 HD13 ILE B 576 18.493 2.200 7.423 1.00 0.00 H new ATOM 1858 N ASN B 577 15.906 6.422 4.439 1.00 0.00 N ATOM 1859 CA ASN B 577 14.603 6.807 3.899 1.00 0.00 C ATOM 1860 C ASN B 577 14.741 7.466 2.534 1.00 0.00 C ATOM 1861 O ASN B 577 13.999 7.142 1.606 1.00 0.00 O ATOM 1862 CB ASN B 577 13.883 7.755 4.860 1.00 0.00 C ATOM 1863 CG ASN B 577 12.943 7.042 5.810 1.00 0.00 C ATOM 1864 OD1 ASN B 577 11.891 7.574 6.174 1.00 0.00 O ATOM 1865 ND2 ASN B 577 13.315 5.843 6.230 1.00 0.00 N ATOM 0 H ASN B 577 16.147 6.869 5.324 1.00 0.00 H new ATOM 0 HA ASN B 577 14.014 5.897 3.783 1.00 0.00 H new ATOM 0 HB2 ASN B 577 14.624 8.307 5.438 1.00 0.00 H new ATOM 0 HB3 ASN B 577 13.319 8.488 4.283 1.00 0.00 H new ATOM 0 HD21 ASN B 577 12.724 5.324 6.879 1.00 0.00 H new ATOM 0 HD22 ASN B 577 14.193 5.438 5.905 1.00 0.00 H new ATOM 1872 N ALA B 578 15.695 8.387 2.407 1.00 0.00 N ATOM 1873 CA ALA B 578 15.917 9.081 1.143 1.00 0.00 C ATOM 1874 C ALA B 578 16.387 8.100 0.079 1.00 0.00 C ATOM 1875 O ALA B 578 16.038 8.228 -1.096 1.00 0.00 O ATOM 1876 CB ALA B 578 16.927 10.205 1.315 1.00 0.00 C ATOM 0 H ALA B 578 16.323 8.668 3.160 1.00 0.00 H new ATOM 0 HA ALA B 578 14.973 9.520 0.821 1.00 0.00 H new ATOM 0 HB1 ALA B 578 17.077 10.709 0.360 1.00 0.00 H new ATOM 0 HB2 ALA B 578 16.554 10.920 2.048 1.00 0.00 H new ATOM 0 HB3 ALA B 578 17.875 9.793 1.661 1.00 0.00 H new ATOM 1882 N ALA B 579 17.176 7.123 0.509 1.00 0.00 N ATOM 1883 CA ALA B 579 17.689 6.104 -0.392 1.00 0.00 C ATOM 1884 C ALA B 579 16.535 5.329 -1.012 1.00 0.00 C ATOM 1885 O ALA B 579 16.399 5.283 -2.226 1.00 0.00 O ATOM 1886 CB ALA B 579 18.628 5.162 0.348 1.00 0.00 C ATOM 0 H ALA B 579 17.474 7.017 1.479 1.00 0.00 H new ATOM 0 HA ALA B 579 18.252 6.591 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA B 579 19.003 4.406 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA B 579 19.466 5.729 0.755 1.00 0.00 H new ATOM 0 HB3 ALA B 579 18.089 4.676 1.162 1.00 0.00 H new ATOM 1892 N ILE B 580 15.707 4.740 -0.157 1.00 0.00 N ATOM 1893 CA ILE B 580 14.543 3.969 -0.596 1.00 0.00 C ATOM 1894 C ILE B 580 13.657 4.764 -1.561 1.00 0.00 C ATOM 1895 O ILE B 580 13.221 4.237 -2.589 1.00 0.00 O ATOM 1896 CB ILE B 580 13.696 3.512 0.613 1.00 0.00 C ATOM 1897 CG1 ILE B 580 14.546 2.681 1.576 1.00 0.00 C ATOM 1898 CG2 ILE B 580 12.483 2.712 0.151 1.00 0.00 C ATOM 1899 CD1 ILE B 580 13.913 2.491 2.935 1.00 0.00 C ATOM 0 H ILE B 580 15.820 4.781 0.856 1.00 0.00 H new ATOM 0 HA ILE B 580 14.928 3.096 -1.123 1.00 0.00 H new ATOM 0 HB ILE B 580 13.342 4.400 1.137 1.00 0.00 H new ATOM 0 HG12 ILE B 580 14.732 1.703 1.132 1.00 0.00 H new ATOM 0 HG13 ILE B 580 15.515 3.164 1.701 1.00 0.00 H new ATOM 0 HG21 ILE B 580 11.901 2.400 1.018 1.00 0.00 H new ATOM 0 HG22 ILE B 580 11.864 3.332 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE B 580 12.816 1.831 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE B 580 14.573 1.892 3.563 1.00 0.00 H new ATOM 0 HD12 ILE B 580 13.752 3.463 3.401 1.00 0.00 H new ATOM 0 HD13 ILE B 580 12.957 1.980 2.823 1.00 0.00 H new ATOM 1911 N GLU B 581 13.414 6.032 -1.236 1.00 0.00 N ATOM 1912 CA GLU B 581 12.574 6.892 -2.060 1.00 0.00 C ATOM 1913 C GLU B 581 13.162 7.074 -3.459 1.00 0.00 C ATOM 1914 O GLU B 581 12.489 6.837 -4.466 1.00 0.00 O ATOM 1915 CB GLU B 581 12.407 8.266 -1.403 1.00 0.00 C ATOM 1916 CG GLU B 581 11.463 8.275 -0.212 1.00 0.00 C ATOM 1917 CD GLU B 581 11.225 9.672 0.327 1.00 0.00 C ATOM 1918 OE1 GLU B 581 11.269 10.640 -0.468 1.00 0.00 O ATOM 1919 OE2 GLU B 581 11.009 9.817 1.546 1.00 0.00 O ATOM 0 H GLU B 581 13.790 6.486 -0.404 1.00 0.00 H new ATOM 0 HA GLU B 581 11.602 6.406 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU B 581 13.385 8.624 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU B 581 12.040 8.971 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU B 581 10.510 7.834 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU B 581 11.875 7.649 0.579 1.00 0.00 H new ATOM 1926 N ARG B 582 14.420 7.490 -3.507 1.00 0.00 N ATOM 1927 CA ARG B 582 15.112 7.733 -4.764 1.00 0.00 C ATOM 1928 C ARG B 582 15.403 6.434 -5.520 1.00 0.00 C ATOM 1929 O ARG B 582 15.346 6.398 -6.750 1.00 0.00 O ATOM 1930 CB ARG B 582 16.417 8.482 -4.495 1.00 0.00 C ATOM 1931 CG ARG B 582 16.765 9.508 -5.558 1.00 0.00 C ATOM 1932 CD ARG B 582 18.194 10.005 -5.401 1.00 0.00 C ATOM 1933 NE ARG B 582 19.167 8.983 -5.780 1.00 0.00 N ATOM 1934 CZ ARG B 582 20.484 9.169 -5.798 1.00 0.00 C ATOM 1935 NH1 ARG B 582 21.002 10.333 -5.428 1.00 0.00 N ATOM 1936 NH2 ARG B 582 21.281 8.180 -6.186 1.00 0.00 N ATOM 0 H ARG B 582 14.988 7.668 -2.678 1.00 0.00 H new ATOM 0 HA ARG B 582 14.458 8.338 -5.392 1.00 0.00 H new ATOM 0 HB2 ARG B 582 16.345 8.983 -3.530 1.00 0.00 H new ATOM 0 HB3 ARG B 582 17.230 7.760 -4.420 1.00 0.00 H new ATOM 0 HG2 ARG B 582 16.638 9.067 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG B 582 16.076 10.350 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG B 582 18.340 10.893 -6.017 1.00 0.00 H new ATOM 0 HD3 ARG B 582 18.364 10.303 -4.366 1.00 0.00 H new ATOM 0 HE ARG B 582 18.813 8.065 -6.049 1.00 0.00 H new ATOM 0 HH11 ARG B 582 20.390 11.091 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG B 582 22.013 10.470 -5.444 1.00 0.00 H new ATOM 0 HH21 ARG B 582 20.882 7.284 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG B 582 22.292 8.316 -6.202 1.00 0.00 H new ATOM 1950 N LEU B 583 15.708 5.375 -4.776 1.00 0.00 N ATOM 1951 CA LEU B 583 16.035 4.072 -5.356 1.00 0.00 C ATOM 1952 C LEU B 583 14.929 3.545 -6.268 1.00 0.00 C ATOM 1953 O LEU B 583 15.200 3.130 -7.396 1.00 0.00 O ATOM 1954 CB LEU B 583 16.314 3.057 -4.242 1.00 0.00 C ATOM 1955 CG LEU B 583 16.648 1.640 -4.710 1.00 0.00 C ATOM 1956 CD1 LEU B 583 17.961 1.618 -5.478 1.00 0.00 C ATOM 1957 CD2 LEU B 583 16.710 0.692 -3.521 1.00 0.00 C ATOM 0 H LEU B 583 15.736 5.393 -3.757 1.00 0.00 H new ATOM 0 HA LEU B 583 16.926 4.208 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU B 583 17.143 3.426 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU B 583 15.441 3.009 -3.591 1.00 0.00 H new ATOM 0 HG LEU B 583 15.857 1.306 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU B 583 18.177 0.599 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU B 583 17.883 2.266 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU B 583 18.765 1.973 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU B 583 16.949 -0.313 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU B 583 17.481 1.028 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU B 583 15.745 0.681 -3.014 1.00 0.00 H new ATOM 1969 N LEU B 584 13.690 3.564 -5.790 1.00 0.00 N ATOM 1970 CA LEU B 584 12.572 3.067 -6.588 1.00 0.00 C ATOM 1971 C LEU B 584 12.230 4.047 -7.707 1.00 0.00 C ATOM 1972 O LEU B 584 11.694 3.656 -8.747 1.00 0.00 O ATOM 1973 CB LEU B 584 11.345 2.806 -5.704 1.00 0.00 C ATOM 1974 CG LEU B 584 10.510 4.037 -5.345 1.00 0.00 C ATOM 1975 CD1 LEU B 584 9.205 4.047 -6.129 1.00 0.00 C ATOM 1976 CD2 LEU B 584 10.234 4.071 -3.853 1.00 0.00 C ATOM 0 H LEU B 584 13.434 3.913 -4.866 1.00 0.00 H new ATOM 0 HA LEU B 584 12.872 2.122 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU B 584 10.701 2.089 -6.212 1.00 0.00 H new ATOM 0 HB3 LEU B 584 11.680 2.335 -4.780 1.00 0.00 H new ATOM 0 HG LEU B 584 11.077 4.928 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU B 584 8.625 4.930 -5.860 1.00 0.00 H new ATOM 0 HD12 LEU B 584 9.422 4.067 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU B 584 8.632 3.151 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU B 584 9.639 4.952 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU B 584 9.687 3.174 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU B 584 11.178 4.111 -3.309 1.00 0.00 H new ATOM 1988 N GLY B 585 12.547 5.317 -7.491 1.00 0.00 N ATOM 1989 CA GLY B 585 12.269 6.333 -8.485 1.00 0.00 C ATOM 1990 C GLY B 585 13.219 6.251 -9.661 1.00 0.00 C ATOM 1991 O GLY B 585 12.811 6.402 -10.815 1.00 0.00 O ATOM 0 H GLY B 585 12.994 5.662 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY B 585 11.244 6.223 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY B 585 12.344 7.319 -8.026 1.00 0.00 H new ATOM 1995 N SER B 586 14.493 6.022 -9.368 1.00 0.00 N ATOM 1996 CA SER B 586 15.514 5.910 -10.397 1.00 0.00 C ATOM 1997 C SER B 586 16.668 5.031 -9.913 1.00 0.00 C ATOM 1998 O SER B 586 16.739 3.849 -10.254 1.00 0.00 O ATOM 1999 CB SER B 586 16.024 7.298 -10.799 1.00 0.00 C ATOM 2000 OG SER B 586 14.965 8.105 -11.287 1.00 0.00 O ATOM 0 H SER B 586 14.844 5.910 -8.417 1.00 0.00 H new ATOM 0 HA SER B 586 15.070 5.440 -11.275 1.00 0.00 H new ATOM 0 HB2 SER B 586 16.489 7.782 -9.940 1.00 0.00 H new ATOM 0 HB3 SER B 586 16.794 7.199 -11.564 1.00 0.00 H new ATOM 0 HG SER B 586 15.313 8.987 -11.536 1.00 0.00 H new ATOM 2006 N SER B 587 17.544 5.602 -9.094 1.00 0.00 N ATOM 2007 CA SER B 587 18.695 4.887 -8.563 1.00 0.00 C ATOM 2008 C SER B 587 19.404 5.777 -7.549 1.00 0.00 C ATOM 2009 O SER B 587 18.779 6.759 -7.104 1.00 0.00 O ATOM 2010 CB SER B 587 19.655 4.498 -9.696 1.00 0.00 C ATOM 2011 OG SER B 587 20.530 3.453 -9.297 1.00 0.00 O ATOM 2012 OXT SER B 587 20.575 5.507 -7.216 1.00 0.00 O ATOM 0 H SER B 587 17.475 6.570 -8.781 1.00 0.00 H new ATOM 0 HA SER B 587 18.361 3.971 -8.075 1.00 0.00 H new ATOM 0 HB2 SER B 587 19.082 4.182 -10.568 1.00 0.00 H new ATOM 0 HB3 SER B 587 20.238 5.369 -9.996 1.00 0.00 H new ATOM 0 HG SER B 587 20.944 3.683 -8.439 1.00 0.00 H new