USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 50 ASN : amide:sc= 1.38 K(o=0.16,f=-9.1!) USER MOD Set 1.2: A 58 THR OG1 : rot -110:sc= -1.22 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0.722 USER MOD Set 2.2: A 31 TYR OH : rot -162:sc= 0.832 USER MOD Set 3.1: A 9 TYR OH : rot 30:sc= 0.353 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -162:sc= 0.389 (180deg=0) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0455 (180deg=-0.314) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0341) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 150:sc= -0.154 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 12 SER OG : rot 76:sc= 1.22 USER MOD Single : A 14 CYS SG : rot 117:sc= -0.0131 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -69:sc= 0.898 USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0.632 (180deg=0.273) USER MOD Single : A 22 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 27 ASN : amide:sc= 1.26 K(o=1.3,f=-0.025) USER MOD Single : A 38 HIS : no HE2:sc= 0.705 K(o=0.7,f=-4.4!) USER MOD Single : A 39 ASN : amide:sc= 1.13 K(o=1.1,f=-0.014) USER MOD Single : A 48 SER OG : rot 75:sc= 1.26 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0617 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 69 ASN : amide:sc= -0.0821 K(o=-0.082,f=-2.8!) USER MOD Single : A 71 SER OG : rot 77:sc= 1.16 USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0.839 (180deg=0.796) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= -0.0253 (180deg=-0.0573) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.01 X(o=-0.01,f=-0.01) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.940 7.911 8.339 1.00 0.00 N ATOM 2 CA MET A 1 13.488 9.047 7.532 1.00 0.00 C ATOM 3 C MET A 1 11.977 9.189 7.607 1.00 0.00 C ATOM 4 O MET A 1 11.465 10.156 8.166 1.00 0.00 O ATOM 5 CB MET A 1 13.931 8.918 6.064 1.00 0.00 C ATOM 6 CG MET A 1 15.435 8.860 5.869 1.00 0.00 C ATOM 7 SD MET A 1 16.288 10.286 6.572 1.00 0.00 S ATOM 8 CE MET A 1 15.614 11.614 5.577 1.00 0.00 C ATOM 0 H1 MET A 1 14.979 7.871 8.330 1.00 0.00 H new ATOM 0 H2 MET A 1 13.606 8.025 9.317 1.00 0.00 H new ATOM 0 H3 MET A 1 13.556 7.029 7.943 1.00 0.00 H new ATOM 0 HA MET A 1 13.953 9.942 7.945 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.486 8.018 5.640 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.536 9.764 5.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.821 7.949 6.327 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.656 8.799 4.803 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.215 12.513 5.715 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.629 11.325 4.526 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.587 11.814 5.884 1.00 0.00 H new ATOM 20 N VAL A 2 11.257 8.220 7.075 1.00 0.00 N ATOM 21 CA VAL A 2 9.810 8.282 7.058 1.00 0.00 C ATOM 22 C VAL A 2 9.235 7.426 8.188 1.00 0.00 C ATOM 23 O VAL A 2 9.762 6.348 8.493 1.00 0.00 O ATOM 24 CB VAL A 2 9.222 7.848 5.674 1.00 0.00 C ATOM 25 CG1 VAL A 2 9.756 8.745 4.567 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.533 6.386 5.352 1.00 0.00 C ATOM 0 H VAL A 2 11.651 7.381 6.649 1.00 0.00 H new ATOM 0 HA VAL A 2 9.518 9.320 7.216 1.00 0.00 H new ATOM 0 HB VAL A 2 8.139 7.952 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.338 8.431 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.470 9.778 4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.843 8.670 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.106 6.128 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.613 6.242 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.102 5.745 6.121 1.00 0.00 H new ATOM 36 N THR A 3 8.200 7.909 8.831 1.00 0.00 N ATOM 37 CA THR A 3 7.583 7.169 9.912 1.00 0.00 C ATOM 38 C THR A 3 6.568 6.171 9.338 1.00 0.00 C ATOM 39 O THR A 3 6.383 5.059 9.869 1.00 0.00 O ATOM 40 CB THR A 3 6.951 8.116 10.997 1.00 0.00 C ATOM 41 OG1 THR A 3 6.324 7.377 12.053 1.00 0.00 O ATOM 42 CG2 THR A 3 5.949 9.077 10.393 1.00 0.00 C ATOM 0 H THR A 3 7.766 8.809 8.627 1.00 0.00 H new ATOM 0 HA THR A 3 8.357 6.607 10.435 1.00 0.00 H new ATOM 0 HB THR A 3 7.779 8.689 11.415 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.945 8.000 12.708 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.536 9.713 11.177 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.444 9.697 9.646 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.144 8.514 9.921 1.00 0.00 H new ATOM 50 N ALA A 4 5.963 6.547 8.231 1.00 0.00 N ATOM 51 CA ALA A 4 5.056 5.697 7.519 1.00 0.00 C ATOM 52 C ALA A 4 5.615 5.497 6.136 1.00 0.00 C ATOM 53 O ALA A 4 5.707 6.438 5.364 1.00 0.00 O ATOM 54 CB ALA A 4 3.661 6.306 7.455 1.00 0.00 C ATOM 0 H ALA A 4 6.094 7.463 7.802 1.00 0.00 H new ATOM 0 HA ALA A 4 4.957 4.742 8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.997 5.637 6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.280 6.450 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.707 7.268 6.945 1.00 0.00 H new ATOM 60 N ALA A 5 6.044 4.297 5.859 1.00 0.00 N ATOM 61 CA ALA A 5 6.659 3.969 4.593 1.00 0.00 C ATOM 62 C ALA A 5 5.604 3.870 3.504 1.00 0.00 C ATOM 63 O ALA A 5 5.710 4.506 2.442 1.00 0.00 O ATOM 64 CB ALA A 5 7.431 2.666 4.730 1.00 0.00 C ATOM 0 H ALA A 5 5.979 3.511 6.506 1.00 0.00 H new ATOM 0 HA ALA A 5 7.355 4.759 4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.896 2.416 3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.203 2.779 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.748 1.868 5.021 1.00 0.00 H new ATOM 70 N LEU A 6 4.590 3.083 3.774 1.00 0.00 N ATOM 71 CA LEU A 6 3.497 2.900 2.865 1.00 0.00 C ATOM 72 C LEU A 6 2.227 2.628 3.638 1.00 0.00 C ATOM 73 O LEU A 6 2.200 1.783 4.539 1.00 0.00 O ATOM 74 CB LEU A 6 3.757 1.793 1.796 1.00 0.00 C ATOM 75 CG LEU A 6 4.070 0.350 2.277 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.954 -0.627 1.133 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.467 0.252 2.845 1.00 0.00 C ATOM 0 H LEU A 6 4.505 2.550 4.639 1.00 0.00 H new ATOM 0 HA LEU A 6 3.389 3.828 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.879 1.743 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.590 2.122 1.175 1.00 0.00 H new ATOM 0 HG LEU A 6 3.345 0.107 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.177 -1.633 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.940 -0.600 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.661 -0.355 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.656 -0.770 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.192 0.527 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.563 0.929 3.694 1.00 0.00 H new ATOM 89 N THR A 7 1.212 3.373 3.330 1.00 0.00 N ATOM 90 CA THR A 7 -0.060 3.248 3.963 1.00 0.00 C ATOM 91 C THR A 7 -1.025 2.551 3.009 1.00 0.00 C ATOM 92 O THR A 7 -1.288 3.034 1.901 1.00 0.00 O ATOM 93 CB THR A 7 -0.594 4.637 4.330 1.00 0.00 C ATOM 94 OG1 THR A 7 0.420 5.337 5.073 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.861 4.534 5.176 1.00 0.00 C ATOM 0 H THR A 7 1.247 4.100 2.616 1.00 0.00 H new ATOM 0 HA THR A 7 0.038 2.658 4.874 1.00 0.00 H new ATOM 0 HB THR A 7 -0.840 5.174 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.092 6.229 5.313 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.217 5.535 5.421 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.630 4.002 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.641 3.992 6.096 1.00 0.00 H new ATOM 103 N ILE A 8 -1.514 1.429 3.424 1.00 0.00 N ATOM 104 CA ILE A 8 -2.407 0.643 2.628 1.00 0.00 C ATOM 105 C ILE A 8 -3.850 1.041 2.859 1.00 0.00 C ATOM 106 O ILE A 8 -4.337 1.046 3.999 1.00 0.00 O ATOM 107 CB ILE A 8 -2.230 -0.863 2.920 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.853 -1.340 2.480 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.332 -1.685 2.280 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.590 -2.779 2.824 1.00 0.00 C ATOM 0 H ILE A 8 -1.304 1.025 4.337 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.158 0.833 1.584 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.306 -1.007 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.756 -1.207 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.092 -0.716 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.177 -2.740 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.298 -1.368 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.315 -1.538 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.407 -3.058 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.656 -2.913 3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.330 -3.411 2.334 1.00 0.00 H new ATOM 122 N TYR A 9 -4.508 1.373 1.785 1.00 0.00 N ATOM 123 CA TYR A 9 -5.898 1.690 1.795 1.00 0.00 C ATOM 124 C TYR A 9 -6.699 0.526 1.259 1.00 0.00 C ATOM 125 O TYR A 9 -6.583 0.173 0.084 1.00 0.00 O ATOM 126 CB TYR A 9 -6.188 2.947 0.978 1.00 0.00 C ATOM 127 CG TYR A 9 -5.672 4.227 1.566 1.00 0.00 C ATOM 128 CD1 TYR A 9 -5.949 4.569 2.882 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.955 5.115 0.795 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.518 5.761 3.412 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.515 6.304 1.315 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.799 6.628 2.627 1.00 0.00 C ATOM 133 OH TYR A 9 -4.377 7.833 3.146 1.00 0.00 O ATOM 0 H TYR A 9 -4.079 1.431 0.861 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.191 1.885 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.756 2.823 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.267 3.035 0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.513 3.886 3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.736 4.871 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.743 6.014 4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.947 6.986 0.700 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.228 7.740 4.110 1.00 0.00 H new ATOM 143 N THR A 10 -7.484 -0.083 2.118 1.00 0.00 N ATOM 144 CA THR A 10 -8.310 -1.191 1.730 1.00 0.00 C ATOM 145 C THR A 10 -9.507 -1.305 2.672 1.00 0.00 C ATOM 146 O THR A 10 -9.505 -0.738 3.775 1.00 0.00 O ATOM 147 CB THR A 10 -7.493 -2.530 1.726 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.309 -3.637 1.311 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.898 -2.829 3.097 1.00 0.00 C ATOM 0 H THR A 10 -7.564 0.178 3.101 1.00 0.00 H new ATOM 0 HA THR A 10 -8.668 -1.012 0.716 1.00 0.00 H new ATOM 0 HB THR A 10 -6.680 -2.398 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.750 -4.306 0.864 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.339 -3.764 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.229 -2.019 3.388 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.700 -2.918 3.830 1.00 0.00 H new ATOM 157 N THR A 11 -10.522 -1.987 2.220 1.00 0.00 N ATOM 158 CA THR A 11 -11.675 -2.285 3.010 1.00 0.00 C ATOM 159 C THR A 11 -11.514 -3.633 3.660 1.00 0.00 C ATOM 160 O THR A 11 -10.807 -4.510 3.135 1.00 0.00 O ATOM 161 CB THR A 11 -12.924 -2.287 2.129 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.595 -2.858 0.852 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.471 -0.891 1.947 1.00 0.00 C ATOM 0 H THR A 11 -10.568 -2.358 1.271 1.00 0.00 H new ATOM 0 HA THR A 11 -11.782 -1.523 3.782 1.00 0.00 H new ATOM 0 HB THR A 11 -13.695 -2.883 2.617 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.392 -2.864 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.359 -0.928 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.734 -0.474 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.716 -0.263 1.475 1.00 0.00 H new ATOM 171 N SER A 12 -12.140 -3.791 4.789 1.00 0.00 N ATOM 172 CA SER A 12 -12.124 -5.021 5.523 1.00 0.00 C ATOM 173 C SER A 12 -12.933 -6.092 4.770 1.00 0.00 C ATOM 174 O SER A 12 -12.728 -7.297 4.953 1.00 0.00 O ATOM 175 CB SER A 12 -12.697 -4.770 6.919 1.00 0.00 C ATOM 176 OG SER A 12 -12.003 -3.698 7.573 1.00 0.00 O ATOM 0 H SER A 12 -12.687 -3.054 5.234 1.00 0.00 H new ATOM 0 HA SER A 12 -11.102 -5.387 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.757 -4.529 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.618 -5.678 7.517 1.00 0.00 H new ATOM 0 HG SER A 12 -12.298 -2.841 7.199 1.00 0.00 H new ATOM 182 N TRP A 13 -13.836 -5.642 3.904 1.00 0.00 N ATOM 183 CA TRP A 13 -14.631 -6.548 3.104 1.00 0.00 C ATOM 184 C TRP A 13 -13.941 -6.918 1.792 1.00 0.00 C ATOM 185 O TRP A 13 -14.468 -7.702 1.013 1.00 0.00 O ATOM 186 CB TRP A 13 -16.061 -6.018 2.861 1.00 0.00 C ATOM 187 CG TRP A 13 -16.186 -4.649 2.232 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.477 -3.485 2.879 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.064 -4.307 0.834 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.542 -2.453 1.983 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.294 -2.927 0.726 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.785 -5.034 -0.329 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.250 -2.255 -0.492 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.742 -4.369 -1.537 1.00 0.00 C ATOM 195 CH2 TRP A 13 -15.977 -2.993 -1.609 1.00 0.00 C ATOM 0 H TRP A 13 -14.030 -4.654 3.743 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.726 -7.464 3.687 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.584 -6.732 2.225 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.583 -6.001 3.818 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.633 -3.391 3.943 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.744 -1.481 2.217 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.606 -6.098 -0.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -16.425 -1.191 -0.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.524 -4.920 -2.440 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -15.942 -2.502 -2.570 1.00 0.00 H new ATOM 206 N CYS A 14 -12.765 -6.366 1.554 1.00 0.00 N ATOM 207 CA CYS A 14 -12.023 -6.669 0.347 1.00 0.00 C ATOM 208 C CYS A 14 -11.406 -8.059 0.477 1.00 0.00 C ATOM 209 O CYS A 14 -11.060 -8.482 1.585 1.00 0.00 O ATOM 210 CB CYS A 14 -10.921 -5.616 0.113 1.00 0.00 C ATOM 211 SG CYS A 14 -9.892 -5.901 -1.345 1.00 0.00 S ATOM 0 H CYS A 14 -12.305 -5.706 2.181 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.699 -6.648 -0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.389 -4.636 0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.278 -5.583 0.993 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.040 -4.915 -2.180 1.00 0.00 H new ATOM 217 N GLY A 15 -11.316 -8.773 -0.617 1.00 0.00 N ATOM 218 CA GLY A 15 -10.694 -10.076 -0.601 1.00 0.00 C ATOM 219 C GLY A 15 -9.190 -9.964 -0.696 1.00 0.00 C ATOM 220 O GLY A 15 -8.453 -10.736 -0.090 1.00 0.00 O ATOM 0 H GLY A 15 -11.664 -8.476 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.965 -10.600 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.070 -10.672 -1.432 1.00 0.00 H new ATOM 224 N TYR A 16 -8.733 -8.955 -1.418 1.00 0.00 N ATOM 225 CA TYR A 16 -7.311 -8.741 -1.649 1.00 0.00 C ATOM 226 C TYR A 16 -6.602 -8.118 -0.462 1.00 0.00 C ATOM 227 O TYR A 16 -5.369 -8.044 -0.457 1.00 0.00 O ATOM 228 CB TYR A 16 -7.061 -7.865 -2.871 1.00 0.00 C ATOM 229 CG TYR A 16 -7.355 -8.495 -4.202 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.865 -9.747 -4.514 1.00 0.00 C ATOM 231 CD2 TYR A 16 -8.106 -7.829 -5.153 1.00 0.00 C ATOM 232 CE1 TYR A 16 -7.114 -10.321 -5.734 1.00 0.00 C ATOM 233 CE2 TYR A 16 -8.357 -8.395 -6.379 1.00 0.00 C ATOM 234 CZ TYR A 16 -7.859 -9.644 -6.664 1.00 0.00 C ATOM 235 OH TYR A 16 -8.099 -10.215 -7.896 1.00 0.00 O ATOM 0 H TYR A 16 -9.335 -8.261 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.901 -9.737 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.665 -6.963 -2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.017 -7.552 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.276 -10.283 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.501 -6.849 -4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.725 -11.302 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.942 -7.862 -7.114 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.643 -9.607 -8.438 1.00 0.00 H new ATOM 245 N CYS A 17 -7.358 -7.697 0.539 1.00 0.00 N ATOM 246 CA CYS A 17 -6.791 -7.003 1.690 1.00 0.00 C ATOM 247 C CYS A 17 -5.720 -7.846 2.368 1.00 0.00 C ATOM 248 O CYS A 17 -4.565 -7.443 2.456 1.00 0.00 O ATOM 249 CB CYS A 17 -7.890 -6.590 2.690 1.00 0.00 C ATOM 250 SG CYS A 17 -8.850 -7.960 3.392 1.00 0.00 S ATOM 0 H CYS A 17 -8.369 -7.823 0.580 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.315 -6.092 1.326 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.426 -6.036 3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.576 -5.906 2.190 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.588 -8.493 2.464 1.00 0.00 H new ATOM 256 N LEU A 18 -6.102 -9.032 2.773 1.00 0.00 N ATOM 257 CA LEU A 18 -5.220 -9.945 3.447 1.00 0.00 C ATOM 258 C LEU A 18 -4.196 -10.576 2.504 1.00 0.00 C ATOM 259 O LEU A 18 -3.119 -10.988 2.936 1.00 0.00 O ATOM 260 CB LEU A 18 -6.023 -10.978 4.282 1.00 0.00 C ATOM 261 CG LEU A 18 -7.279 -11.608 3.631 1.00 0.00 C ATOM 262 CD1 LEU A 18 -6.936 -12.510 2.470 1.00 0.00 C ATOM 263 CD2 LEU A 18 -8.101 -12.354 4.660 1.00 0.00 C ATOM 0 H LEU A 18 -7.047 -9.393 2.641 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.623 -9.371 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.346 -11.787 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.332 -10.493 5.208 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.874 -10.786 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.852 -12.926 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.414 -11.936 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.295 -13.321 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.978 -12.788 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.498 -13.148 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.419 -11.664 5.441 1.00 0.00 H new ATOM 275 N ARG A 19 -4.504 -10.581 1.211 1.00 0.00 N ATOM 276 CA ARG A 19 -3.603 -11.157 0.213 1.00 0.00 C ATOM 277 C ARG A 19 -2.350 -10.285 0.128 1.00 0.00 C ATOM 278 O ARG A 19 -1.221 -10.781 0.206 1.00 0.00 O ATOM 279 CB ARG A 19 -4.273 -11.243 -1.176 1.00 0.00 C ATOM 280 CG ARG A 19 -5.665 -11.883 -1.194 1.00 0.00 C ATOM 281 CD ARG A 19 -5.692 -13.313 -0.675 1.00 0.00 C ATOM 282 NE ARG A 19 -5.054 -14.278 -1.570 1.00 0.00 N ATOM 283 CZ ARG A 19 -4.969 -15.594 -1.309 1.00 0.00 C ATOM 284 NH1 ARG A 19 -5.369 -16.078 -0.129 1.00 0.00 N ATOM 285 NH2 ARG A 19 -4.478 -16.413 -2.215 1.00 0.00 N ATOM 0 H ARG A 19 -5.367 -10.195 0.828 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.346 -12.172 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.349 -10.236 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.622 -11.811 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.341 -11.276 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.047 -11.870 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.195 -13.347 0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.728 -13.611 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.651 -13.933 -2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.742 -15.448 0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.301 -17.078 0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.162 -16.049 -3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.413 -17.412 -2.018 1.00 0.00 H new ATOM 299 N LEU A 20 -2.573 -8.973 0.049 1.00 0.00 N ATOM 300 CA LEU A 20 -1.488 -8.000 -0.015 1.00 0.00 C ATOM 301 C LEU A 20 -0.690 -7.982 1.298 1.00 0.00 C ATOM 302 O LEU A 20 0.534 -7.809 1.290 1.00 0.00 O ATOM 303 CB LEU A 20 -2.039 -6.595 -0.358 1.00 0.00 C ATOM 304 CG LEU A 20 -1.016 -5.440 -0.408 1.00 0.00 C ATOM 305 CD1 LEU A 20 0.071 -5.678 -1.456 1.00 0.00 C ATOM 306 CD2 LEU A 20 -1.704 -4.111 -0.661 1.00 0.00 C ATOM 0 H LEU A 20 -3.505 -8.559 0.028 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.805 -8.297 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.535 -6.652 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.803 -6.341 0.377 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.534 -5.406 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.767 -4.840 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.608 -6.597 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.387 -5.768 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.959 -3.316 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.232 -4.150 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.416 -3.911 0.140 1.00 0.00 H new ATOM 318 N LYS A 21 -1.380 -8.197 2.425 1.00 0.00 N ATOM 319 CA LYS A 21 -0.710 -8.243 3.737 1.00 0.00 C ATOM 320 C LYS A 21 0.276 -9.401 3.753 1.00 0.00 C ATOM 321 O LYS A 21 1.438 -9.250 4.150 1.00 0.00 O ATOM 322 CB LYS A 21 -1.711 -8.455 4.878 1.00 0.00 C ATOM 323 CG LYS A 21 -2.877 -7.489 4.924 1.00 0.00 C ATOM 324 CD LYS A 21 -2.456 -6.039 5.047 1.00 0.00 C ATOM 325 CE LYS A 21 -3.679 -5.131 5.033 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.631 -5.435 6.119 1.00 0.00 N ATOM 0 H LYS A 21 -2.389 -8.341 2.459 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.205 -7.289 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.106 -9.468 4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.173 -8.390 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.475 -7.610 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.518 -7.746 5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.896 -5.893 5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.790 -5.776 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.356 -4.093 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.187 -5.228 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.391 -4.725 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.040 -6.379 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.134 -5.416 7.032 1.00 0.00 H new ATOM 340 N THR A 22 -0.195 -10.546 3.262 1.00 0.00 N ATOM 341 CA THR A 22 0.596 -11.760 3.199 1.00 0.00 C ATOM 342 C THR A 22 1.836 -11.526 2.324 1.00 0.00 C ATOM 343 O THR A 22 2.955 -11.931 2.675 1.00 0.00 O ATOM 344 CB THR A 22 -0.246 -12.927 2.607 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.497 -13.041 3.323 1.00 0.00 O ATOM 346 CG2 THR A 22 0.499 -14.255 2.717 1.00 0.00 C ATOM 0 H THR A 22 -1.141 -10.652 2.897 1.00 0.00 H new ATOM 0 HA THR A 22 0.907 -12.027 4.209 1.00 0.00 H new ATOM 0 HB THR A 22 -0.428 -12.706 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.158 -12.438 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.114 -15.052 2.295 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.439 -14.191 2.169 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.704 -14.471 3.765 1.00 0.00 H new ATOM 354 N ALA A 23 1.631 -10.828 1.215 1.00 0.00 N ATOM 355 CA ALA A 23 2.689 -10.524 0.281 1.00 0.00 C ATOM 356 C ALA A 23 3.755 -9.644 0.914 1.00 0.00 C ATOM 357 O ALA A 23 4.946 -9.959 0.852 1.00 0.00 O ATOM 358 CB ALA A 23 2.120 -9.862 -0.962 1.00 0.00 C ATOM 0 H ALA A 23 0.720 -10.458 0.943 1.00 0.00 H new ATOM 0 HA ALA A 23 3.163 -11.463 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.929 -9.638 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.407 -10.535 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.615 -8.937 -0.683 1.00 0.00 H new ATOM 364 N LEU A 24 3.334 -8.575 1.562 1.00 0.00 N ATOM 365 CA LEU A 24 4.275 -7.631 2.140 1.00 0.00 C ATOM 366 C LEU A 24 5.010 -8.204 3.350 1.00 0.00 C ATOM 367 O LEU A 24 6.234 -8.063 3.457 1.00 0.00 O ATOM 368 CB LEU A 24 3.621 -6.305 2.514 1.00 0.00 C ATOM 369 CG LEU A 24 2.884 -5.493 1.435 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.451 -4.185 2.029 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.736 -5.223 0.215 1.00 0.00 C ATOM 0 H LEU A 24 2.352 -8.338 1.702 1.00 0.00 H new ATOM 0 HA LEU A 24 5.006 -7.440 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.909 -6.506 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.398 -5.664 2.932 1.00 0.00 H new ATOM 0 HG LEU A 24 2.030 -6.085 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.927 -3.599 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.785 -4.371 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.326 -3.634 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.161 -4.647 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.621 -4.658 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.040 -6.169 -0.233 1.00 0.00 H new ATOM 383 N THR A 25 4.290 -8.848 4.243 1.00 0.00 N ATOM 384 CA THR A 25 4.896 -9.411 5.437 1.00 0.00 C ATOM 385 C THR A 25 5.921 -10.519 5.089 1.00 0.00 C ATOM 386 O THR A 25 6.986 -10.610 5.708 1.00 0.00 O ATOM 387 CB THR A 25 3.810 -9.908 6.422 1.00 0.00 C ATOM 388 OG1 THR A 25 2.970 -8.787 6.774 1.00 0.00 O ATOM 389 CG2 THR A 25 4.422 -10.482 7.696 1.00 0.00 C ATOM 0 H THR A 25 3.284 -8.996 4.168 1.00 0.00 H new ATOM 0 HA THR A 25 5.454 -8.619 5.938 1.00 0.00 H new ATOM 0 HB THR A 25 3.238 -10.699 5.936 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.274 -9.083 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.627 -10.820 8.361 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.066 -11.324 7.443 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.011 -9.713 8.195 1.00 0.00 H new ATOM 397 N ALA A 26 5.636 -11.298 4.050 1.00 0.00 N ATOM 398 CA ALA A 26 6.552 -12.355 3.613 1.00 0.00 C ATOM 399 C ALA A 26 7.769 -11.766 2.896 1.00 0.00 C ATOM 400 O ALA A 26 8.732 -12.462 2.612 1.00 0.00 O ATOM 401 CB ALA A 26 5.841 -13.343 2.704 1.00 0.00 C ATOM 0 H ALA A 26 4.784 -11.221 3.495 1.00 0.00 H new ATOM 0 HA ALA A 26 6.897 -12.882 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.540 -14.119 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.010 -13.799 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.462 -12.821 1.825 1.00 0.00 H new ATOM 407 N ASN A 27 7.709 -10.481 2.605 1.00 0.00 N ATOM 408 CA ASN A 27 8.795 -9.791 1.934 1.00 0.00 C ATOM 409 C ASN A 27 9.490 -8.811 2.853 1.00 0.00 C ATOM 410 O ASN A 27 10.252 -7.949 2.386 1.00 0.00 O ATOM 411 CB ASN A 27 8.318 -9.108 0.649 1.00 0.00 C ATOM 412 CG ASN A 27 8.221 -10.068 -0.528 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.168 -10.224 -1.284 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.090 -10.700 -0.701 1.00 0.00 N ATOM 0 H ASN A 27 6.910 -9.887 2.826 1.00 0.00 H new ATOM 0 HA ASN A 27 9.528 -10.546 1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.342 -8.655 0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.004 -8.299 0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.980 -11.344 -1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.317 -10.549 -0.053 1.00 0.00 H new ATOM 421 N ARG A 28 9.222 -8.956 4.173 1.00 0.00 N ATOM 422 CA ARG A 28 9.877 -8.163 5.243 1.00 0.00 C ATOM 423 C ARG A 28 9.563 -6.670 5.162 1.00 0.00 C ATOM 424 O ARG A 28 10.325 -5.832 5.659 1.00 0.00 O ATOM 425 CB ARG A 28 11.402 -8.383 5.224 1.00 0.00 C ATOM 426 CG ARG A 28 11.853 -9.775 5.637 1.00 0.00 C ATOM 427 CD ARG A 28 11.479 -10.074 7.083 1.00 0.00 C ATOM 428 NE ARG A 28 12.016 -9.059 8.008 1.00 0.00 N ATOM 429 CZ ARG A 28 11.857 -9.058 9.337 1.00 0.00 C ATOM 430 NH1 ARG A 28 11.241 -10.064 9.944 1.00 0.00 N ATOM 431 NH2 ARG A 28 12.335 -8.042 10.054 1.00 0.00 N ATOM 0 H ARG A 28 8.543 -9.629 4.528 1.00 0.00 H new ATOM 0 HA ARG A 28 9.466 -8.523 6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.771 -8.181 4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.868 -7.654 5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.397 -10.516 4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.933 -9.861 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.394 -10.114 7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.859 -11.057 7.361 1.00 0.00 H new ATOM 0 HE ARG A 28 12.554 -8.294 7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.884 -10.848 9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.125 -10.054 10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.818 -7.273 9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.218 -8.033 11.067 1.00 0.00 H new ATOM 445 N ILE A 29 8.432 -6.342 4.614 1.00 0.00 N ATOM 446 CA ILE A 29 8.065 -4.960 4.429 1.00 0.00 C ATOM 447 C ILE A 29 7.303 -4.427 5.635 1.00 0.00 C ATOM 448 O ILE A 29 6.371 -5.074 6.135 1.00 0.00 O ATOM 449 CB ILE A 29 7.201 -4.790 3.168 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.943 -5.374 1.963 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.884 -3.305 2.944 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.123 -5.467 0.718 1.00 0.00 C ATOM 0 H ILE A 29 7.739 -7.014 4.283 1.00 0.00 H new ATOM 0 HA ILE A 29 8.988 -4.391 4.314 1.00 0.00 H new ATOM 0 HB ILE A 29 6.259 -5.323 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.821 -4.760 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.303 -6.370 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.272 -3.195 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.341 -2.915 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.813 -2.749 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.727 -5.891 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.259 -6.106 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.784 -4.472 0.430 1.00 0.00 H new ATOM 464 N ALA A 30 7.719 -3.278 6.107 1.00 0.00 N ATOM 465 CA ALA A 30 7.048 -2.589 7.172 1.00 0.00 C ATOM 466 C ALA A 30 6.067 -1.620 6.548 1.00 0.00 C ATOM 467 O ALA A 30 6.450 -0.838 5.681 1.00 0.00 O ATOM 468 CB ALA A 30 8.059 -1.833 7.999 1.00 0.00 C ATOM 0 H ALA A 30 8.544 -2.792 5.755 1.00 0.00 H new ATOM 0 HA ALA A 30 6.526 -3.294 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.549 -1.310 8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.782 -2.532 8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.577 -1.110 7.369 1.00 0.00 H new ATOM 474 N TYR A 31 4.833 -1.656 6.974 1.00 0.00 N ATOM 475 CA TYR A 31 3.799 -0.839 6.368 1.00 0.00 C ATOM 476 C TYR A 31 2.765 -0.441 7.394 1.00 0.00 C ATOM 477 O TYR A 31 2.822 -0.888 8.535 1.00 0.00 O ATOM 478 CB TYR A 31 3.133 -1.592 5.198 1.00 0.00 C ATOM 479 CG TYR A 31 2.557 -2.962 5.549 1.00 0.00 C ATOM 480 CD1 TYR A 31 1.248 -3.107 5.990 1.00 0.00 C ATOM 481 CD2 TYR A 31 3.327 -4.109 5.412 1.00 0.00 C ATOM 482 CE1 TYR A 31 0.726 -4.354 6.280 1.00 0.00 C ATOM 483 CE2 TYR A 31 2.814 -5.359 5.705 1.00 0.00 C ATOM 484 CZ TYR A 31 1.516 -5.477 6.139 1.00 0.00 C ATOM 485 OH TYR A 31 0.991 -6.732 6.411 1.00 0.00 O ATOM 0 H TYR A 31 4.511 -2.244 7.743 1.00 0.00 H new ATOM 0 HA TYR A 31 4.263 0.067 5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.332 -0.971 4.797 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.868 -1.718 4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.627 -2.231 6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.348 -4.023 5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.296 -4.449 6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.431 -6.238 5.593 1.00 0.00 H new ATOM 0 HH TYR A 31 1.722 -7.372 6.536 1.00 0.00 H new ATOM 495 N ASP A 32 1.830 0.387 6.991 1.00 0.00 N ATOM 496 CA ASP A 32 0.751 0.813 7.859 1.00 0.00 C ATOM 497 C ASP A 32 -0.555 0.577 7.120 1.00 0.00 C ATOM 498 O ASP A 32 -0.635 0.834 5.925 1.00 0.00 O ATOM 499 CB ASP A 32 0.910 2.297 8.223 1.00 0.00 C ATOM 500 CG ASP A 32 0.026 2.714 9.375 1.00 0.00 C ATOM 501 OD1 ASP A 32 0.396 2.439 10.536 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.031 3.340 9.159 1.00 0.00 O ATOM 0 H ASP A 32 1.793 0.786 6.053 1.00 0.00 H new ATOM 0 HA ASP A 32 0.764 0.246 8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.951 2.494 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.675 2.908 7.351 1.00 0.00 H new ATOM 507 N GLU A 33 -1.546 0.065 7.796 1.00 0.00 N ATOM 508 CA GLU A 33 -2.809 -0.291 7.168 1.00 0.00 C ATOM 509 C GLU A 33 -3.975 0.378 7.885 1.00 0.00 C ATOM 510 O GLU A 33 -4.026 0.395 9.124 1.00 0.00 O ATOM 511 CB GLU A 33 -2.958 -1.824 7.171 1.00 0.00 C ATOM 512 CG GLU A 33 -2.789 -2.475 8.547 1.00 0.00 C ATOM 513 CD GLU A 33 -2.919 -3.971 8.492 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.057 -4.475 8.486 1.00 0.00 O ATOM 515 OE2 GLU A 33 -1.897 -4.673 8.414 1.00 0.00 O ATOM 0 H GLU A 33 -1.511 -0.121 8.798 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.816 0.064 6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.942 -2.082 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.222 -2.249 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.812 -2.212 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.537 -2.073 9.231 1.00 0.00 H new ATOM 522 N VAL A 34 -4.864 0.980 7.127 1.00 0.00 N ATOM 523 CA VAL A 34 -6.045 1.621 7.675 1.00 0.00 C ATOM 524 C VAL A 34 -7.242 1.308 6.759 1.00 0.00 C ATOM 525 O VAL A 34 -7.045 1.054 5.556 1.00 0.00 O ATOM 526 CB VAL A 34 -5.813 3.169 7.873 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.559 3.901 6.567 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.943 3.826 8.648 1.00 0.00 C ATOM 0 H VAL A 34 -4.791 1.041 6.111 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.260 1.227 8.668 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.905 3.253 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.407 4.961 6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.670 3.491 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.418 3.776 5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.738 4.891 8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.881 3.691 8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.023 3.368 9.634 1.00 0.00 H new ATOM 538 N ASP A 35 -8.453 1.279 7.299 1.00 0.00 N ATOM 539 CA ASP A 35 -9.602 0.955 6.472 1.00 0.00 C ATOM 540 C ASP A 35 -10.117 2.222 5.827 1.00 0.00 C ATOM 541 O ASP A 35 -10.157 3.287 6.453 1.00 0.00 O ATOM 542 CB ASP A 35 -10.716 0.293 7.299 1.00 0.00 C ATOM 543 CG ASP A 35 -11.845 -0.257 6.446 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.771 0.501 6.073 1.00 0.00 O ATOM 545 OD2 ASP A 35 -11.841 -1.464 6.160 1.00 0.00 O ATOM 0 H ASP A 35 -8.661 1.470 8.279 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.293 0.245 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.289 -0.516 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.121 1.022 8.001 1.00 0.00 H new ATOM 550 N ILE A 36 -10.525 2.112 4.604 1.00 0.00 N ATOM 551 CA ILE A 36 -10.949 3.268 3.839 1.00 0.00 C ATOM 552 C ILE A 36 -12.373 3.659 4.083 1.00 0.00 C ATOM 553 O ILE A 36 -12.698 4.813 4.072 1.00 0.00 O ATOM 554 CB ILE A 36 -10.698 3.089 2.341 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.529 1.946 1.755 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.254 2.805 2.160 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.353 1.725 0.265 1.00 0.00 C ATOM 0 H ILE A 36 -10.578 1.228 4.098 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.328 4.088 4.201 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.993 3.998 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.271 1.024 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.582 2.142 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.040 2.671 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.668 3.639 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.991 1.896 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.982 0.895 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.641 2.628 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.309 1.493 0.052 1.00 0.00 H new ATOM 569 N GLU A 37 -13.204 2.705 4.376 1.00 0.00 N ATOM 570 CA GLU A 37 -14.618 2.957 4.452 1.00 0.00 C ATOM 571 C GLU A 37 -14.937 3.596 5.800 1.00 0.00 C ATOM 572 O GLU A 37 -15.981 4.215 5.999 1.00 0.00 O ATOM 573 CB GLU A 37 -15.343 1.644 4.216 1.00 0.00 C ATOM 574 CG GLU A 37 -16.802 1.760 3.860 1.00 0.00 C ATOM 575 CD GLU A 37 -17.368 0.432 3.439 1.00 0.00 C ATOM 576 OE1 GLU A 37 -17.702 -0.378 4.310 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.465 0.163 2.209 1.00 0.00 O ATOM 0 H GLU A 37 -12.930 1.741 4.567 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.953 3.659 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.834 1.107 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.254 1.034 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.359 2.140 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.926 2.483 3.053 1.00 0.00 H new ATOM 584 N HIS A 38 -13.976 3.495 6.692 1.00 0.00 N ATOM 585 CA HIS A 38 -14.042 4.102 8.003 1.00 0.00 C ATOM 586 C HIS A 38 -13.419 5.502 7.979 1.00 0.00 C ATOM 587 O HIS A 38 -13.392 6.195 8.996 1.00 0.00 O ATOM 588 CB HIS A 38 -13.323 3.224 9.041 1.00 0.00 C ATOM 589 CG HIS A 38 -14.019 1.928 9.352 1.00 0.00 C ATOM 590 ND1 HIS A 38 -14.057 0.836 8.505 1.00 0.00 N ATOM 591 CD2 HIS A 38 -14.723 1.564 10.452 1.00 0.00 C ATOM 592 CE1 HIS A 38 -14.761 -0.127 9.096 1.00 0.00 C ATOM 593 NE2 HIS A 38 -15.192 0.262 10.290 1.00 0.00 N ATOM 0 H HIS A 38 -13.112 2.980 6.523 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.091 4.190 8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.319 3.004 8.679 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.212 3.793 9.964 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -13.620 0.778 7.585 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.894 2.186 11.318 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.956 -1.096 8.662 1.00 0.00 H new ATOM 601 N ASN A 39 -12.913 5.917 6.824 1.00 0.00 N ATOM 602 CA ASN A 39 -12.290 7.234 6.676 1.00 0.00 C ATOM 603 C ASN A 39 -12.756 7.887 5.397 1.00 0.00 C ATOM 604 O ASN A 39 -12.304 7.523 4.318 1.00 0.00 O ATOM 605 CB ASN A 39 -10.748 7.153 6.677 1.00 0.00 C ATOM 606 CG ASN A 39 -10.155 6.722 7.997 1.00 0.00 C ATOM 607 OD1 ASN A 39 -9.908 7.548 8.880 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.872 5.458 8.137 1.00 0.00 N ATOM 0 H ASN A 39 -12.920 5.360 5.970 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.595 7.832 7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.431 6.454 5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.343 8.129 6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.433 5.126 8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.089 4.801 7.388 1.00 0.00 H new ATOM 615 N ARG A 40 -13.641 8.863 5.527 1.00 0.00 N ATOM 616 CA ARG A 40 -14.273 9.548 4.392 1.00 0.00 C ATOM 617 C ARG A 40 -13.249 10.042 3.363 1.00 0.00 C ATOM 618 O ARG A 40 -13.359 9.736 2.165 1.00 0.00 O ATOM 619 CB ARG A 40 -15.068 10.741 4.902 1.00 0.00 C ATOM 620 CG ARG A 40 -15.810 11.510 3.823 1.00 0.00 C ATOM 621 CD ARG A 40 -16.355 12.804 4.376 1.00 0.00 C ATOM 622 NE ARG A 40 -15.268 13.704 4.791 1.00 0.00 N ATOM 623 CZ ARG A 40 -15.181 14.334 5.973 1.00 0.00 C ATOM 624 NH1 ARG A 40 -16.018 14.032 6.968 1.00 0.00 N ATOM 625 NH2 ARG A 40 -14.220 15.225 6.169 1.00 0.00 N ATOM 0 H ARG A 40 -13.950 9.212 6.434 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.923 8.826 3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.788 10.392 5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.389 11.422 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.139 11.718 2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.626 10.903 3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -16.969 13.295 3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.003 12.595 5.227 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.515 13.863 4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.732 13.316 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.943 14.517 7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.553 15.428 5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.147 15.708 7.064 1.00 0.00 H new ATOM 639 N ALA A 41 -12.253 10.770 3.844 1.00 0.00 N ATOM 640 CA ALA A 41 -11.234 11.371 3.000 1.00 0.00 C ATOM 641 C ALA A 41 -10.353 10.321 2.371 1.00 0.00 C ATOM 642 O ALA A 41 -9.934 10.455 1.235 1.00 0.00 O ATOM 643 CB ALA A 41 -10.389 12.349 3.788 1.00 0.00 C ATOM 0 H ALA A 41 -12.129 10.961 4.838 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.747 11.910 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.634 12.786 3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.024 13.140 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.900 11.827 4.610 1.00 0.00 H new ATOM 649 N ALA A 42 -10.083 9.268 3.104 1.00 0.00 N ATOM 650 CA ALA A 42 -9.269 8.206 2.569 1.00 0.00 C ATOM 651 C ALA A 42 -10.021 7.485 1.473 1.00 0.00 C ATOM 652 O ALA A 42 -9.471 7.231 0.413 1.00 0.00 O ATOM 653 CB ALA A 42 -8.825 7.235 3.649 1.00 0.00 C ATOM 0 H ALA A 42 -10.410 9.125 4.059 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.366 8.651 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.214 6.450 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.241 7.768 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.701 6.789 4.120 1.00 0.00 H new ATOM 659 N ALA A 43 -11.304 7.218 1.722 1.00 0.00 N ATOM 660 CA ALA A 43 -12.176 6.521 0.785 1.00 0.00 C ATOM 661 C ALA A 43 -12.321 7.271 -0.528 1.00 0.00 C ATOM 662 O ALA A 43 -12.252 6.666 -1.603 1.00 0.00 O ATOM 663 CB ALA A 43 -13.543 6.286 1.396 1.00 0.00 C ATOM 0 H ALA A 43 -11.769 7.484 2.590 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.707 5.561 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.177 5.765 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.440 5.681 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.996 7.243 1.652 1.00 0.00 H new ATOM 669 N GLU A 44 -12.504 8.580 -0.460 1.00 0.00 N ATOM 670 CA GLU A 44 -12.670 9.369 -1.668 1.00 0.00 C ATOM 671 C GLU A 44 -11.376 9.479 -2.462 1.00 0.00 C ATOM 672 O GLU A 44 -11.389 9.699 -3.671 1.00 0.00 O ATOM 673 CB GLU A 44 -13.336 10.714 -1.377 1.00 0.00 C ATOM 674 CG GLU A 44 -12.624 11.618 -0.420 1.00 0.00 C ATOM 675 CD GLU A 44 -11.575 12.500 -1.060 1.00 0.00 C ATOM 676 OE1 GLU A 44 -11.921 13.601 -1.529 1.00 0.00 O ATOM 677 OE2 GLU A 44 -10.410 12.149 -1.090 1.00 0.00 O ATOM 0 H GLU A 44 -12.541 9.113 0.409 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.360 8.835 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.459 11.245 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.335 10.523 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.358 12.250 0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.150 11.011 0.351 1.00 0.00 H new ATOM 684 N PHE A 45 -10.276 9.286 -1.780 1.00 0.00 N ATOM 685 CA PHE A 45 -8.973 9.281 -2.388 1.00 0.00 C ATOM 686 C PHE A 45 -8.750 7.952 -3.114 1.00 0.00 C ATOM 687 O PHE A 45 -8.628 7.911 -4.345 1.00 0.00 O ATOM 688 CB PHE A 45 -7.903 9.510 -1.300 1.00 0.00 C ATOM 689 CG PHE A 45 -6.481 9.426 -1.774 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.944 10.410 -2.583 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.680 8.362 -1.401 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.641 10.339 -3.016 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.376 8.288 -1.827 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.854 9.278 -2.637 1.00 0.00 C ATOM 0 H PHE A 45 -10.262 9.126 -0.773 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.898 10.084 -3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.064 10.492 -0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.049 8.775 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.558 11.248 -2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.083 7.583 -0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.238 11.114 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.758 7.454 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.829 9.218 -2.972 1.00 0.00 H new ATOM 704 N VAL A 46 -8.777 6.870 -2.351 1.00 0.00 N ATOM 705 CA VAL A 46 -8.530 5.528 -2.867 1.00 0.00 C ATOM 706 C VAL A 46 -9.566 5.103 -3.914 1.00 0.00 C ATOM 707 O VAL A 46 -9.221 4.480 -4.907 1.00 0.00 O ATOM 708 CB VAL A 46 -8.423 4.482 -1.711 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.616 4.531 -0.851 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.296 3.086 -2.226 1.00 0.00 C ATOM 0 H VAL A 46 -8.972 6.896 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.567 5.561 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.528 4.744 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.520 3.795 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.711 5.526 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.502 4.309 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.225 2.394 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.171 2.839 -2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.399 3.005 -2.840 1.00 0.00 H new ATOM 720 N GLY A 47 -10.814 5.495 -3.712 1.00 0.00 N ATOM 721 CA GLY A 47 -11.865 5.128 -4.633 1.00 0.00 C ATOM 722 C GLY A 47 -11.669 5.733 -6.003 1.00 0.00 C ATOM 723 O GLY A 47 -11.960 5.104 -7.014 1.00 0.00 O ATOM 0 H GLY A 47 -11.118 6.064 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.904 4.042 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.825 5.450 -4.231 1.00 0.00 H new ATOM 727 N SER A 48 -11.134 6.929 -6.041 1.00 0.00 N ATOM 728 CA SER A 48 -10.937 7.627 -7.284 1.00 0.00 C ATOM 729 C SER A 48 -9.710 7.092 -8.039 1.00 0.00 C ATOM 730 O SER A 48 -9.687 7.073 -9.270 1.00 0.00 O ATOM 731 CB SER A 48 -10.815 9.120 -7.006 1.00 0.00 C ATOM 732 OG SER A 48 -11.949 9.572 -6.254 1.00 0.00 O ATOM 0 H SER A 48 -10.825 7.442 -5.215 1.00 0.00 H new ATOM 0 HA SER A 48 -11.799 7.456 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.898 9.322 -6.453 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.748 9.669 -7.945 1.00 0.00 H new ATOM 0 HG SER A 48 -11.866 9.272 -5.325 1.00 0.00 H new ATOM 738 N VAL A 49 -8.727 6.605 -7.298 1.00 0.00 N ATOM 739 CA VAL A 49 -7.491 6.090 -7.898 1.00 0.00 C ATOM 740 C VAL A 49 -7.545 4.569 -8.034 1.00 0.00 C ATOM 741 O VAL A 49 -6.544 3.921 -8.332 1.00 0.00 O ATOM 742 CB VAL A 49 -6.232 6.489 -7.064 1.00 0.00 C ATOM 743 CG1 VAL A 49 -6.128 7.993 -6.937 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.256 5.855 -5.685 1.00 0.00 C ATOM 0 H VAL A 49 -8.754 6.552 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.408 6.541 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.357 6.116 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.244 8.249 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.048 8.437 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.017 8.378 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.366 6.154 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.145 6.186 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.275 4.770 -5.784 1.00 0.00 H new ATOM 754 N ASN A 50 -8.715 4.018 -7.833 1.00 0.00 N ATOM 755 CA ASN A 50 -8.911 2.577 -7.875 1.00 0.00 C ATOM 756 C ASN A 50 -9.216 2.125 -9.301 1.00 0.00 C ATOM 757 O ASN A 50 -9.144 2.919 -10.250 1.00 0.00 O ATOM 758 CB ASN A 50 -10.105 2.176 -6.993 1.00 0.00 C ATOM 759 CG ASN A 50 -9.750 1.155 -5.947 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.517 0.246 -5.652 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.647 1.329 -5.331 1.00 0.00 N ATOM 0 H ASN A 50 -9.563 4.549 -7.635 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.997 2.106 -7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.502 3.065 -6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.899 1.778 -7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.383 0.703 -4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.029 2.095 -5.599 1.00 0.00 H new ATOM 768 N GLY A 51 -9.559 0.862 -9.443 1.00 0.00 N ATOM 769 CA GLY A 51 -9.972 0.326 -10.715 1.00 0.00 C ATOM 770 C GLY A 51 -11.441 -0.022 -10.665 1.00 0.00 C ATOM 771 O GLY A 51 -11.807 -1.156 -10.362 1.00 0.00 O ATOM 0 H GLY A 51 -9.558 0.184 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.787 1.054 -11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.386 -0.561 -10.955 1.00 0.00 H new ATOM 775 N GLY A 52 -12.276 0.959 -10.924 1.00 0.00 N ATOM 776 CA GLY A 52 -13.701 0.772 -10.855 1.00 0.00 C ATOM 777 C GLY A 52 -14.261 1.470 -9.641 1.00 0.00 C ATOM 778 O GLY A 52 -14.186 2.703 -9.538 1.00 0.00 O ATOM 0 H GLY A 52 -11.986 1.901 -11.186 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.170 1.164 -11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.934 -0.292 -10.811 1.00 0.00 H new ATOM 782 N ASN A 53 -14.814 0.713 -8.732 1.00 0.00 N ATOM 783 CA ASN A 53 -15.319 1.243 -7.466 1.00 0.00 C ATOM 784 C ASN A 53 -14.224 1.066 -6.440 1.00 0.00 C ATOM 785 O ASN A 53 -13.136 0.625 -6.799 1.00 0.00 O ATOM 786 CB ASN A 53 -16.587 0.489 -7.014 1.00 0.00 C ATOM 787 CG ASN A 53 -17.762 0.649 -7.966 1.00 0.00 C ATOM 788 OD1 ASN A 53 -17.925 -0.121 -8.907 1.00 0.00 O ATOM 789 ND2 ASN A 53 -18.594 1.634 -7.721 1.00 0.00 N ATOM 0 H ASN A 53 -14.934 -0.295 -8.836 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.588 2.293 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.353 -0.571 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.879 0.846 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -19.406 1.777 -8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -18.429 2.256 -6.930 1.00 0.00 H new ATOM 796 N ARG A 54 -14.460 1.394 -5.176 1.00 0.00 N ATOM 797 CA ARG A 54 -13.409 1.167 -4.197 1.00 0.00 C ATOM 798 C ARG A 54 -13.424 -0.316 -3.795 1.00 0.00 C ATOM 799 O ARG A 54 -14.261 -0.768 -3.021 1.00 0.00 O ATOM 800 CB ARG A 54 -13.444 2.161 -2.971 1.00 0.00 C ATOM 801 CG ARG A 54 -14.423 1.879 -1.810 1.00 0.00 C ATOM 802 CD ARG A 54 -15.892 1.930 -2.187 1.00 0.00 C ATOM 803 NE ARG A 54 -16.730 1.615 -1.014 1.00 0.00 N ATOM 804 CZ ARG A 54 -17.982 2.038 -0.810 1.00 0.00 C ATOM 805 NH1 ARG A 54 -18.609 2.759 -1.730 1.00 0.00 N ATOM 806 NH2 ARG A 54 -18.603 1.722 0.321 1.00 0.00 N ATOM 0 H ARG A 54 -15.325 1.798 -4.818 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.449 1.395 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.439 2.203 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.669 3.155 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.202 0.894 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.241 2.604 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.143 2.920 -2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.094 1.220 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.317 1.021 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.136 2.995 -2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.564 3.077 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.125 1.161 1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.558 2.041 0.485 1.00 0.00 H new ATOM 820 N THR A 55 -12.551 -1.071 -4.387 1.00 0.00 N ATOM 821 CA THR A 55 -12.555 -2.493 -4.199 1.00 0.00 C ATOM 822 C THR A 55 -11.137 -3.076 -4.056 1.00 0.00 C ATOM 823 O THR A 55 -10.954 -4.091 -3.388 1.00 0.00 O ATOM 824 CB THR A 55 -13.343 -3.187 -5.367 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.410 -4.614 -5.189 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.723 -2.864 -6.727 1.00 0.00 C ATOM 0 H THR A 55 -11.821 -0.725 -5.009 1.00 0.00 H new ATOM 0 HA THR A 55 -13.063 -2.699 -3.257 1.00 0.00 H new ATOM 0 HB THR A 55 -14.357 -2.789 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.908 -5.013 -5.932 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.292 -3.360 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.743 -1.786 -6.889 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.691 -3.215 -6.749 1.00 0.00 H new ATOM 834 N VAL A 56 -10.141 -2.436 -4.641 1.00 0.00 N ATOM 835 CA VAL A 56 -8.796 -2.973 -4.589 1.00 0.00 C ATOM 836 C VAL A 56 -7.884 -2.161 -3.676 1.00 0.00 C ATOM 837 O VAL A 56 -7.939 -0.916 -3.666 1.00 0.00 O ATOM 838 CB VAL A 56 -8.141 -3.156 -5.995 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.812 -4.279 -6.767 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.197 -1.876 -6.802 1.00 0.00 C ATOM 0 H VAL A 56 -10.236 -1.557 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.909 -3.969 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.095 -3.416 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.337 -4.385 -7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.713 -5.212 -6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.869 -4.047 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.733 -2.039 -7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.236 -1.579 -6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.662 -1.088 -6.272 1.00 0.00 H new ATOM 850 N PRO A 57 -7.044 -2.857 -2.882 1.00 0.00 N ATOM 851 CA PRO A 57 -6.108 -2.225 -1.966 1.00 0.00 C ATOM 852 C PRO A 57 -5.139 -1.318 -2.707 1.00 0.00 C ATOM 853 O PRO A 57 -4.446 -1.738 -3.640 1.00 0.00 O ATOM 854 CB PRO A 57 -5.358 -3.400 -1.313 1.00 0.00 C ATOM 855 CG PRO A 57 -5.614 -4.565 -2.196 1.00 0.00 C ATOM 856 CD PRO A 57 -6.950 -4.320 -2.825 1.00 0.00 C ATOM 0 HA PRO A 57 -6.614 -1.592 -1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.291 -3.192 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.721 -3.585 -0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.837 -4.658 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.616 -5.494 -1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.013 -4.764 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.757 -4.750 -2.232 1.00 0.00 H new ATOM 864 N THR A 58 -5.130 -0.091 -2.328 1.00 0.00 N ATOM 865 CA THR A 58 -4.285 0.883 -2.932 1.00 0.00 C ATOM 866 C THR A 58 -3.269 1.289 -1.932 1.00 0.00 C ATOM 867 O THR A 58 -3.588 1.541 -0.773 1.00 0.00 O ATOM 868 CB THR A 58 -5.113 2.075 -3.354 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.213 1.579 -4.102 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.336 3.042 -4.225 1.00 0.00 C ATOM 0 H THR A 58 -5.717 0.274 -1.578 1.00 0.00 H new ATOM 0 HA THR A 58 -3.794 0.475 -3.815 1.00 0.00 H new ATOM 0 HB THR A 58 -5.423 2.618 -2.461 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.106 1.827 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.977 3.880 -4.500 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.471 3.412 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.001 2.530 -5.127 1.00 0.00 H new ATOM 878 N VAL A 59 -2.075 1.312 -2.345 1.00 0.00 N ATOM 879 CA VAL A 59 -1.031 1.614 -1.472 1.00 0.00 C ATOM 880 C VAL A 59 -0.540 3.044 -1.691 1.00 0.00 C ATOM 881 O VAL A 59 -0.189 3.429 -2.811 1.00 0.00 O ATOM 882 CB VAL A 59 0.092 0.561 -1.600 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.663 0.484 -3.003 1.00 0.00 C ATOM 884 CG2 VAL A 59 1.152 0.814 -0.604 1.00 0.00 C ATOM 0 H VAL A 59 -1.791 1.120 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.392 1.569 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.354 -0.413 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.448 -0.272 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.128 0.216 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.080 1.452 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.935 0.063 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.575 1.805 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.729 0.761 0.399 1.00 0.00 H new ATOM 894 N LYS A 60 -0.599 3.840 -0.645 1.00 0.00 N ATOM 895 CA LYS A 60 -0.131 5.201 -0.699 1.00 0.00 C ATOM 896 C LYS A 60 1.232 5.239 -0.073 1.00 0.00 C ATOM 897 O LYS A 60 1.391 4.906 1.104 1.00 0.00 O ATOM 898 CB LYS A 60 -1.049 6.161 0.079 1.00 0.00 C ATOM 899 CG LYS A 60 -0.711 7.639 -0.165 1.00 0.00 C ATOM 900 CD LYS A 60 -1.499 8.591 0.733 1.00 0.00 C ATOM 901 CE LYS A 60 -1.087 8.451 2.194 1.00 0.00 C ATOM 902 NZ LYS A 60 -1.777 9.419 3.072 1.00 0.00 N ATOM 0 H LYS A 60 -0.972 3.560 0.262 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.117 5.522 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.085 5.978 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.971 5.947 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.355 7.793 -0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.911 7.884 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.338 9.618 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.565 8.388 0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.304 7.438 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.010 8.592 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.262 9.500 3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.809 10.348 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.746 9.091 3.256 1.00 0.00 H new ATOM 916 N PHE A 61 2.198 5.611 -0.824 1.00 0.00 N ATOM 917 CA PHE A 61 3.532 5.688 -0.321 1.00 0.00 C ATOM 918 C PHE A 61 3.779 7.022 0.324 1.00 0.00 C ATOM 919 O PHE A 61 3.000 7.973 0.132 1.00 0.00 O ATOM 920 CB PHE A 61 4.538 5.461 -1.424 1.00 0.00 C ATOM 921 CG PHE A 61 4.548 4.077 -1.965 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.631 3.685 -2.916 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.485 3.164 -1.521 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.645 2.412 -3.413 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.506 1.888 -2.017 1.00 0.00 C ATOM 926 CZ PHE A 61 4.584 1.513 -2.963 1.00 0.00 C ATOM 0 H PHE A 61 2.096 5.872 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 61 3.651 4.905 0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.331 6.156 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.533 5.699 -1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.895 4.390 -3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.208 3.460 -0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.921 2.113 -4.157 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.243 1.181 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.596 0.507 -3.356 1.00 0.00 H new ATOM 936 N ALA A 62 4.862 7.102 1.070 1.00 0.00 N ATOM 937 CA ALA A 62 5.277 8.324 1.738 1.00 0.00 C ATOM 938 C ALA A 62 5.524 9.475 0.750 1.00 0.00 C ATOM 939 O ALA A 62 5.488 10.629 1.130 1.00 0.00 O ATOM 940 CB ALA A 62 6.521 8.067 2.565 1.00 0.00 C ATOM 0 H ALA A 62 5.487 6.313 1.233 1.00 0.00 H new ATOM 0 HA ALA A 62 4.460 8.631 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.824 8.989 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.309 7.304 3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.326 7.723 1.915 1.00 0.00 H new ATOM 946 N ASP A 63 5.740 9.156 -0.527 1.00 0.00 N ATOM 947 CA ASP A 63 5.997 10.194 -1.536 1.00 0.00 C ATOM 948 C ASP A 63 4.683 10.750 -2.085 1.00 0.00 C ATOM 949 O ASP A 63 4.679 11.662 -2.912 1.00 0.00 O ATOM 950 CB ASP A 63 6.864 9.670 -2.697 1.00 0.00 C ATOM 951 CG ASP A 63 6.115 8.810 -3.696 1.00 0.00 C ATOM 952 OD1 ASP A 63 5.587 7.745 -3.326 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.083 9.165 -4.886 1.00 0.00 O ATOM 0 H ASP A 63 5.743 8.202 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 63 6.548 10.992 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.300 10.520 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.691 9.091 -2.285 1.00 0.00 H new ATOM 958 N GLY A 64 3.580 10.182 -1.638 1.00 0.00 N ATOM 959 CA GLY A 64 2.278 10.658 -2.046 1.00 0.00 C ATOM 960 C GLY A 64 1.810 10.038 -3.337 1.00 0.00 C ATOM 961 O GLY A 64 0.931 10.571 -4.007 1.00 0.00 O ATOM 0 H GLY A 64 3.562 9.392 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.554 10.441 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.311 11.742 -2.159 1.00 0.00 H new ATOM 965 N SER A 65 2.403 8.944 -3.707 1.00 0.00 N ATOM 966 CA SER A 65 2.009 8.254 -4.894 1.00 0.00 C ATOM 967 C SER A 65 1.257 6.989 -4.518 1.00 0.00 C ATOM 968 O SER A 65 1.571 6.347 -3.497 1.00 0.00 O ATOM 969 CB SER A 65 3.244 7.936 -5.730 1.00 0.00 C ATOM 970 OG SER A 65 2.932 7.230 -6.913 1.00 0.00 O ATOM 0 H SER A 65 3.170 8.507 -3.196 1.00 0.00 H new ATOM 0 HA SER A 65 1.346 8.881 -5.490 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.752 8.865 -5.989 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.941 7.347 -5.133 1.00 0.00 H new ATOM 0 HG SER A 65 3.755 7.052 -7.414 1.00 0.00 H new ATOM 976 N THR A 66 0.254 6.662 -5.293 1.00 0.00 N ATOM 977 CA THR A 66 -0.526 5.482 -5.079 1.00 0.00 C ATOM 978 C THR A 66 -0.405 4.522 -6.237 1.00 0.00 C ATOM 979 O THR A 66 -0.355 4.940 -7.392 1.00 0.00 O ATOM 980 CB THR A 66 -2.007 5.838 -4.868 1.00 0.00 C ATOM 981 OG1 THR A 66 -2.384 6.957 -5.700 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.286 6.153 -3.430 1.00 0.00 C ATOM 0 H THR A 66 -0.042 7.216 -6.096 1.00 0.00 H new ATOM 0 HA THR A 66 -0.138 4.999 -4.182 1.00 0.00 H new ATOM 0 HB THR A 66 -2.602 4.970 -5.152 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.330 7.169 -5.554 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.341 6.401 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.045 5.287 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.676 7.001 -3.118 1.00 0.00 H new ATOM 990 N LEU A 67 -0.352 3.254 -5.932 1.00 0.00 N ATOM 991 CA LEU A 67 -0.340 2.223 -6.945 1.00 0.00 C ATOM 992 C LEU A 67 -1.474 1.250 -6.656 1.00 0.00 C ATOM 993 O LEU A 67 -1.674 0.846 -5.492 1.00 0.00 O ATOM 994 CB LEU A 67 1.019 1.463 -6.999 1.00 0.00 C ATOM 995 CG LEU A 67 2.292 2.282 -7.320 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.513 1.369 -7.394 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.141 3.055 -8.627 1.00 0.00 C ATOM 0 H LEU A 67 -0.316 2.902 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.475 2.694 -7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.169 0.976 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.932 0.674 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 67 2.433 3.001 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.398 1.963 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.649 0.865 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.365 0.626 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.052 3.620 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.964 2.356 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.298 3.742 -8.548 1.00 0.00 H new ATOM 1009 N THR A 68 -2.238 0.930 -7.678 1.00 0.00 N ATOM 1010 CA THR A 68 -3.334 -0.005 -7.582 1.00 0.00 C ATOM 1011 C THR A 68 -2.757 -1.411 -7.310 1.00 0.00 C ATOM 1012 O THR A 68 -1.779 -1.789 -7.970 1.00 0.00 O ATOM 1013 CB THR A 68 -4.060 -0.035 -8.928 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.100 1.300 -9.462 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.482 -0.525 -8.748 1.00 0.00 C ATOM 0 H THR A 68 -2.112 1.319 -8.612 1.00 0.00 H new ATOM 0 HA THR A 68 -4.016 0.288 -6.784 1.00 0.00 H new ATOM 0 HB THR A 68 -3.531 -0.707 -9.603 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.562 1.293 -10.326 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.986 -0.541 -9.714 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.470 -1.531 -8.328 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.014 0.144 -8.072 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.399 -2.157 -6.372 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.984 -3.514 -5.855 1.00 0.00 C ATOM 1025 C ASN A 69 -1.773 -4.175 -6.563 1.00 0.00 C ATOM 1026 O ASN A 69 -1.913 -4.960 -7.509 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.189 -4.501 -5.750 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.909 -4.809 -7.073 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -4.962 -3.989 -7.986 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -5.489 -5.988 -7.164 1.00 0.00 N ATOM 0 H ASN A 69 -4.257 -1.827 -5.929 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.620 -3.295 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.832 -5.439 -5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.915 -4.088 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.000 -6.241 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.427 -6.648 -6.389 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.565 -3.799 -6.117 1.00 0.00 N ATOM 1038 CA PRO A 70 0.705 -4.281 -6.652 1.00 0.00 C ATOM 1039 C PRO A 70 1.313 -5.423 -5.841 1.00 0.00 C ATOM 1040 O PRO A 70 0.845 -5.749 -4.747 1.00 0.00 O ATOM 1041 CB PRO A 70 1.587 -3.035 -6.549 1.00 0.00 C ATOM 1042 CG PRO A 70 0.936 -2.158 -5.502 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.338 -2.824 -5.066 1.00 0.00 C ATOM 0 HA PRO A 70 0.596 -4.693 -7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.605 -3.298 -6.261 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.650 -2.520 -7.507 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.604 -2.020 -4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.729 -1.168 -5.909 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.234 -3.298 -4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.161 -2.113 -4.989 1.00 0.00 H new ATOM 1051 N SER A 71 2.331 -6.036 -6.389 1.00 0.00 N ATOM 1052 CA SER A 71 3.032 -7.100 -5.721 1.00 0.00 C ATOM 1053 C SER A 71 4.080 -6.485 -4.776 1.00 0.00 C ATOM 1054 O SER A 71 4.471 -5.317 -4.954 1.00 0.00 O ATOM 1055 CB SER A 71 3.713 -7.985 -6.768 1.00 0.00 C ATOM 1056 OG SER A 71 2.820 -8.278 -7.845 1.00 0.00 O ATOM 0 H SER A 71 2.697 -5.810 -7.314 1.00 0.00 H new ATOM 0 HA SER A 71 2.339 -7.709 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.601 -7.483 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.047 -8.913 -6.304 1.00 0.00 H new ATOM 0 HG SER A 71 2.752 -7.498 -8.435 1.00 0.00 H new ATOM 1062 N ALA A 72 4.551 -7.264 -3.816 1.00 0.00 N ATOM 1063 CA ALA A 72 5.523 -6.801 -2.827 1.00 0.00 C ATOM 1064 C ALA A 72 6.825 -6.404 -3.484 1.00 0.00 C ATOM 1065 O ALA A 72 7.414 -5.395 -3.135 1.00 0.00 O ATOM 1066 CB ALA A 72 5.750 -7.867 -1.786 1.00 0.00 C ATOM 0 H ALA A 72 4.272 -8.238 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 72 5.119 -5.915 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.476 -7.512 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.809 -8.092 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.130 -8.769 -2.266 1.00 0.00 H new ATOM 1072 N ASP A 73 7.240 -7.174 -4.462 1.00 0.00 N ATOM 1073 CA ASP A 73 8.468 -6.887 -5.217 1.00 0.00 C ATOM 1074 C ASP A 73 8.377 -5.532 -5.888 1.00 0.00 C ATOM 1075 O ASP A 73 9.320 -4.733 -5.841 1.00 0.00 O ATOM 1076 CB ASP A 73 8.717 -7.950 -6.282 1.00 0.00 C ATOM 1077 CG ASP A 73 9.012 -9.306 -5.714 1.00 0.00 C ATOM 1078 OD1 ASP A 73 8.061 -10.063 -5.411 1.00 0.00 O ATOM 1079 OD2 ASP A 73 10.206 -9.658 -5.577 1.00 0.00 O ATOM 0 H ASP A 73 6.750 -8.015 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 73 9.296 -6.890 -4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.842 -8.018 -6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.552 -7.637 -6.908 1.00 0.00 H new ATOM 1084 N GLU A 74 7.214 -5.271 -6.469 1.00 0.00 N ATOM 1085 CA GLU A 74 6.946 -4.035 -7.182 1.00 0.00 C ATOM 1086 C GLU A 74 7.022 -2.845 -6.248 1.00 0.00 C ATOM 1087 O GLU A 74 7.702 -1.856 -6.540 1.00 0.00 O ATOM 1088 CB GLU A 74 5.565 -4.072 -7.826 1.00 0.00 C ATOM 1089 CG GLU A 74 5.371 -5.172 -8.847 1.00 0.00 C ATOM 1090 CD GLU A 74 4.003 -5.121 -9.469 1.00 0.00 C ATOM 1091 OE1 GLU A 74 3.824 -4.375 -10.450 1.00 0.00 O ATOM 1092 OE2 GLU A 74 3.074 -5.809 -8.973 1.00 0.00 O ATOM 0 H GLU A 74 6.425 -5.918 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 74 7.705 -3.933 -7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.817 -4.187 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.378 -3.112 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.128 -5.083 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.518 -6.141 -8.370 1.00 0.00 H new ATOM 1099 N VAL A 75 6.347 -2.952 -5.119 1.00 0.00 N ATOM 1100 CA VAL A 75 6.297 -1.867 -4.163 1.00 0.00 C ATOM 1101 C VAL A 75 7.637 -1.603 -3.484 1.00 0.00 C ATOM 1102 O VAL A 75 7.960 -0.453 -3.206 1.00 0.00 O ATOM 1103 CB VAL A 75 5.153 -1.994 -3.124 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.827 -1.814 -3.792 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.147 -3.337 -2.469 1.00 0.00 C ATOM 0 H VAL A 75 5.825 -3.783 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 75 6.064 -0.991 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 75 5.322 -1.223 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.032 -1.905 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.783 -0.827 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.699 -2.578 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.331 -3.386 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.010 -4.110 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.095 -3.496 -1.955 1.00 0.00 H new ATOM 1115 N LYS A 76 8.437 -2.654 -3.256 1.00 0.00 N ATOM 1116 CA LYS A 76 9.772 -2.487 -2.657 1.00 0.00 C ATOM 1117 C LYS A 76 10.660 -1.658 -3.558 1.00 0.00 C ATOM 1118 O LYS A 76 11.448 -0.848 -3.082 1.00 0.00 O ATOM 1119 CB LYS A 76 10.440 -3.842 -2.347 1.00 0.00 C ATOM 1120 CG LYS A 76 9.705 -4.649 -1.304 1.00 0.00 C ATOM 1121 CD LYS A 76 10.411 -5.951 -0.918 1.00 0.00 C ATOM 1122 CE LYS A 76 11.655 -5.696 -0.086 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.226 -6.949 0.466 1.00 0.00 N ATOM 0 H LYS A 76 8.188 -3.619 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 76 9.638 -1.963 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.506 -4.424 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.460 -3.666 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.576 -4.038 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.708 -4.884 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.723 -6.584 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.684 -6.497 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.405 -5.197 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.410 -5.019 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.144 -6.746 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.577 -7.343 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.359 -7.638 -0.302 1.00 0.00 H new ATOM 1137 N ALA A 77 10.478 -1.828 -4.857 1.00 0.00 N ATOM 1138 CA ALA A 77 11.250 -1.110 -5.855 1.00 0.00 C ATOM 1139 C ALA A 77 10.915 0.384 -5.847 1.00 0.00 C ATOM 1140 O ALA A 77 11.746 1.216 -6.180 1.00 0.00 O ATOM 1141 CB ALA A 77 10.996 -1.704 -7.223 1.00 0.00 C ATOM 0 H ALA A 77 9.789 -2.470 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 77 12.308 -1.212 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.577 -1.162 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.292 -2.753 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.936 -1.626 -7.463 1.00 0.00 H new ATOM 1147 N LYS A 78 9.702 0.719 -5.461 1.00 0.00 N ATOM 1148 CA LYS A 78 9.314 2.108 -5.383 1.00 0.00 C ATOM 1149 C LYS A 78 9.775 2.652 -4.023 1.00 0.00 C ATOM 1150 O LYS A 78 10.407 3.708 -3.926 1.00 0.00 O ATOM 1151 CB LYS A 78 7.792 2.254 -5.500 1.00 0.00 C ATOM 1152 CG LYS A 78 7.360 3.645 -5.930 1.00 0.00 C ATOM 1153 CD LYS A 78 5.882 3.879 -5.732 1.00 0.00 C ATOM 1154 CE LYS A 78 5.454 5.220 -6.315 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.151 6.378 -5.693 1.00 0.00 N ATOM 0 H LYS A 78 8.975 0.054 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 78 9.773 2.663 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.417 1.525 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.335 2.019 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.921 4.388 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.610 3.791 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.317 3.076 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.646 3.850 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.647 5.221 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.378 5.339 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.868 7.254 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.893 6.439 -4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.180 6.251 -5.779 1.00 0.00 H new ATOM 1169 N LEU A 79 9.483 1.866 -2.992 1.00 0.00 N ATOM 1170 CA LEU A 79 9.773 2.166 -1.591 1.00 0.00 C ATOM 1171 C LEU A 79 11.254 2.460 -1.338 1.00 0.00 C ATOM 1172 O LEU A 79 11.593 3.377 -0.562 1.00 0.00 O ATOM 1173 CB LEU A 79 9.301 0.985 -0.720 1.00 0.00 C ATOM 1174 CG LEU A 79 9.633 1.027 0.770 1.00 0.00 C ATOM 1175 CD1 LEU A 79 9.030 2.252 1.437 1.00 0.00 C ATOM 1176 CD2 LEU A 79 9.154 -0.246 1.453 1.00 0.00 C ATOM 0 H LEU A 79 9.019 0.966 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 79 9.233 3.075 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.219 0.905 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.728 0.071 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 79 10.716 1.094 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.285 2.252 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.426 3.153 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.946 2.231 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.397 -0.203 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.075 -0.340 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.647 -1.108 1.003 1.00 0.00 H new ATOM 1188 N VAL A 80 12.127 1.712 -1.991 1.00 0.00 N ATOM 1189 CA VAL A 80 13.565 1.881 -1.812 1.00 0.00 C ATOM 1190 C VAL A 80 14.032 3.291 -2.199 1.00 0.00 C ATOM 1191 O VAL A 80 14.868 3.876 -1.521 1.00 0.00 O ATOM 1192 CB VAL A 80 14.396 0.769 -2.541 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.137 0.753 -4.036 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.887 0.904 -2.257 1.00 0.00 C ATOM 0 H VAL A 80 11.868 0.980 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 80 13.757 1.762 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 80 14.059 -0.185 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.733 -0.033 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.080 0.563 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.412 1.717 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.430 0.116 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.237 1.876 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.063 0.816 -1.185 1.00 0.00 H new ATOM 1204 N LYS A 81 13.411 3.854 -3.208 1.00 0.00 N ATOM 1205 CA LYS A 81 13.770 5.174 -3.710 1.00 0.00 C ATOM 1206 C LYS A 81 13.188 6.270 -2.806 1.00 0.00 C ATOM 1207 O LYS A 81 13.675 7.407 -2.763 1.00 0.00 O ATOM 1208 CB LYS A 81 13.217 5.323 -5.122 1.00 0.00 C ATOM 1209 CG LYS A 81 13.716 4.254 -6.094 1.00 0.00 C ATOM 1210 CD LYS A 81 12.982 4.301 -7.430 1.00 0.00 C ATOM 1211 CE LYS A 81 13.164 5.629 -8.137 1.00 0.00 C ATOM 1212 NZ LYS A 81 12.453 5.672 -9.427 1.00 0.00 N ATOM 0 H LYS A 81 12.640 3.415 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 81 14.855 5.277 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.128 5.285 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.488 6.306 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.784 4.390 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.587 3.269 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.345 3.498 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.920 4.122 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.801 6.433 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.226 5.808 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.605 6.598 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.816 4.922 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.436 5.527 -9.268 1.00 0.00 H new ATOM 1226 N ILE A 82 12.159 5.915 -2.082 1.00 0.00 N ATOM 1227 CA ILE A 82 11.456 6.847 -1.227 1.00 0.00 C ATOM 1228 C ILE A 82 12.123 6.971 0.134 1.00 0.00 C ATOM 1229 O ILE A 82 12.444 8.079 0.586 1.00 0.00 O ATOM 1230 CB ILE A 82 9.992 6.406 -1.043 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.294 6.369 -2.396 1.00 0.00 C ATOM 1232 CG2 ILE A 82 9.248 7.323 -0.065 1.00 0.00 C ATOM 1233 CD1 ILE A 82 7.906 5.810 -2.340 1.00 0.00 C ATOM 0 H ILE A 82 11.780 4.968 -2.066 1.00 0.00 H new ATOM 0 HA ILE A 82 11.486 7.822 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 82 9.984 5.405 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.253 7.380 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.890 5.772 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.218 6.983 0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.741 7.295 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.255 8.344 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.471 5.815 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.940 4.787 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.294 6.420 -1.676 1.00 0.00 H new ATOM 1245 N ALA A 83 12.326 5.851 0.783 1.00 0.00 N ATOM 1246 CA ALA A 83 12.869 5.856 2.123 1.00 0.00 C ATOM 1247 C ALA A 83 14.380 5.765 2.122 1.00 0.00 C ATOM 1248 O ALA A 83 15.045 6.339 2.996 1.00 0.00 O ATOM 1249 CB ALA A 83 12.273 4.724 2.940 1.00 0.00 C ATOM 0 H ALA A 83 12.124 4.924 0.408 1.00 0.00 H new ATOM 0 HA ALA A 83 12.599 6.808 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.692 4.742 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.191 4.846 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.507 3.771 2.466 1.00 0.00 H new ATOM 1255 N GLY A 84 14.928 5.069 1.144 1.00 0.00 N ATOM 1256 CA GLY A 84 16.355 4.846 1.116 1.00 0.00 C ATOM 1257 C GLY A 84 16.768 3.881 2.202 1.00 0.00 C ATOM 1258 O GLY A 84 17.766 4.089 2.888 1.00 0.00 O ATOM 0 H GLY A 84 14.411 4.654 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.647 4.452 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.878 5.793 1.246 1.00 0.00 H new ATOM 1262 N LEU A 85 15.952 2.841 2.389 1.00 0.00 N ATOM 1263 CA LEU A 85 16.233 1.807 3.385 1.00 0.00 C ATOM 1264 C LEU A 85 17.489 1.047 2.999 1.00 0.00 C ATOM 1265 O LEU A 85 18.294 0.686 3.844 1.00 0.00 O ATOM 1266 CB LEU A 85 15.048 0.814 3.588 1.00 0.00 C ATOM 1267 CG LEU A 85 14.654 -0.107 2.409 1.00 0.00 C ATOM 1268 CD1 LEU A 85 13.762 -1.236 2.897 1.00 0.00 C ATOM 1269 CD2 LEU A 85 13.917 0.665 1.341 1.00 0.00 C ATOM 0 H LEU A 85 15.091 2.693 1.863 1.00 0.00 H new ATOM 0 HA LEU A 85 16.380 2.317 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.289 0.179 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.169 1.397 3.863 1.00 0.00 H new ATOM 0 HG LEU A 85 15.573 -0.514 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.493 -1.876 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.295 -1.824 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.858 -0.819 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 85 13.652 -0.006 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.010 1.097 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.556 1.463 0.962 1.00 0.00 H new ATOM 1281 N GLU A 86 17.658 0.832 1.710 1.00 0.00 N ATOM 1282 CA GLU A 86 18.817 0.160 1.211 1.00 0.00 C ATOM 1283 C GLU A 86 19.947 1.160 1.100 1.00 0.00 C ATOM 1284 O GLU A 86 19.794 2.215 0.465 1.00 0.00 O ATOM 1285 CB GLU A 86 18.525 -0.495 -0.150 1.00 0.00 C ATOM 1286 CG GLU A 86 19.703 -1.250 -0.742 1.00 0.00 C ATOM 1287 CD GLU A 86 20.217 -2.322 0.182 1.00 0.00 C ATOM 1288 OE1 GLU A 86 21.014 -2.002 1.096 1.00 0.00 O ATOM 1289 OE2 GLU A 86 19.835 -3.498 0.020 1.00 0.00 O ATOM 0 H GLU A 86 16.994 1.120 0.991 1.00 0.00 H new ATOM 0 HA GLU A 86 19.103 -0.636 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.687 -1.182 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.212 0.277 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.404 -1.701 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.507 -0.548 -0.964 1.00 0.00 H new ATOM 1296 N HIS A 87 21.068 0.833 1.706 1.00 0.00 N ATOM 1297 CA HIS A 87 22.211 1.722 1.725 1.00 0.00 C ATOM 1298 C HIS A 87 22.999 1.615 0.428 1.00 0.00 C ATOM 1299 O HIS A 87 23.710 2.551 0.061 1.00 0.00 O ATOM 1300 CB HIS A 87 23.095 1.498 2.980 1.00 0.00 C ATOM 1301 CG HIS A 87 23.666 0.115 3.141 1.00 0.00 C ATOM 1302 ND1 HIS A 87 23.110 -0.853 3.945 1.00 0.00 N ATOM 1303 CD2 HIS A 87 24.778 -0.441 2.603 1.00 0.00 C ATOM 1304 CE1 HIS A 87 23.878 -1.937 3.879 1.00 0.00 C ATOM 1305 NE2 HIS A 87 24.909 -1.744 3.074 1.00 0.00 N ATOM 0 H HIS A 87 21.213 -0.050 2.196 1.00 0.00 H new ATOM 0 HA HIS A 87 21.842 2.745 1.795 1.00 0.00 H new ATOM 0 HB2 HIS A 87 23.920 2.210 2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 87 22.503 1.731 3.865 1.00 0.00 H new ATOM 0 HD2 HIS A 87 25.455 0.049 1.918 1.00 0.00 H new ATOM 0 HE1 HIS A 87 23.685 -2.855 4.413 1.00 0.00 H new ATOM 0 HE2 HIS A 87 25.646 -2.411 2.846 1.00 0.00 H new ATOM 1313 N HIS A 88 22.842 0.467 -0.253 1.00 0.00 N ATOM 1314 CA HIS A 88 23.411 0.209 -1.581 1.00 0.00 C ATOM 1315 C HIS A 88 24.945 0.137 -1.528 1.00 0.00 C ATOM 1316 O HIS A 88 25.495 -0.980 -1.371 1.00 0.00 O ATOM 1317 CB HIS A 88 22.920 1.283 -2.585 1.00 0.00 C ATOM 1318 CG HIS A 88 23.200 1.005 -4.029 1.00 0.00 C ATOM 1319 ND1 HIS A 88 22.244 0.567 -4.907 1.00 0.00 N ATOM 1320 CD2 HIS A 88 24.330 1.163 -4.758 1.00 0.00 C ATOM 1321 CE1 HIS A 88 22.793 0.473 -6.108 1.00 0.00 C ATOM 1322 NE2 HIS A 88 24.065 0.824 -6.080 1.00 0.00 N ATOM 0 H HIS A 88 22.306 -0.320 0.113 1.00 0.00 H new ATOM 0 HA HIS A 88 23.063 -0.764 -1.926 1.00 0.00 H new ATOM 0 HB2 HIS A 88 21.844 1.404 -2.460 1.00 0.00 H new ATOM 0 HB3 HIS A 88 23.380 2.235 -2.322 1.00 0.00 H new ATOM 0 HD2 HIS A 88 25.283 1.498 -4.375 1.00 0.00 H new ATOM 0 HE1 HIS A 88 22.268 0.151 -6.995 1.00 0.00 H new ATOM 0 HE2 HIS A 88 24.717 0.843 -6.864 1.00 0.00 H new TER 1330 HIS A 88