USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 642 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 -1 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 51:sc= 0.362 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.68 F(o=-2.4,f=-0.68) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.78 X(o=-0.78,f=-0.55) USER MOD Single : A -3 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.35) USER MOD Single : A -5 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 SER OG : rot -4:sc= 0.448! USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= -0.193 (180deg=-0.84) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0144 USER MOD Single : A 21 ASN :FLIP amide:sc= 0.00326 F(o=-2,f=0.0033) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -136:sc= 0.0646 USER MOD Single : A 26 MET CE :methyl 155:sc= -12.7! (180deg=-13.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -6.34! C(o=-8!,f=-6.3!) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.269 F(o=-1.1,f=-0.27) USER MOD Single : A 36 MET CE :methyl -133:sc= 0 (180deg=-0.0186) USER MOD Single : A 37 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.0102 (180deg=-0.142) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0058) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 54 GLN : amide:sc= -3.41! C(o=-3.4!,f=-5.3!) USER MOD Single : A 57 GLN : amide:sc= -0.0709 K(o=-0.071,f=-2.2!) USER MOD Single : A 60 ASN : amide:sc= -0.031 X(o=-0.031,f=-0.17) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -0.0031 (180deg=-0.0825) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -5 17.742 -15.853 -11.362 1.00 0.00 N ATOM 2 CA SER A -5 16.310 -15.584 -11.317 1.00 0.00 C ATOM 3 C SER A -5 15.531 -16.846 -10.960 1.00 0.00 C ATOM 4 O SER A -5 15.652 -17.873 -11.629 1.00 0.00 O ATOM 5 CB SER A -5 15.829 -15.038 -12.663 1.00 0.00 C ATOM 6 OG SER A -5 15.653 -16.082 -13.604 1.00 0.00 O ATOM 0 H1 SER A -5 18.252 -14.980 -11.607 1.00 0.00 H new ATOM 0 H2 SER A -5 18.061 -16.191 -10.432 1.00 0.00 H new ATOM 0 H3 SER A -5 17.936 -16.580 -12.080 1.00 0.00 H new ATOM 0 HA SER A -5 16.130 -14.836 -10.545 1.00 0.00 H new ATOM 0 HB2 SER A -5 14.888 -14.504 -12.527 1.00 0.00 H new ATOM 0 HB3 SER A -5 16.552 -14.317 -13.046 1.00 0.00 H new ATOM 0 HG SER A -5 15.942 -16.931 -13.209 1.00 0.00 H new ATOM 12 N ASP A -4 14.731 -16.762 -9.903 1.00 0.00 N ATOM 13 CA ASP A -4 13.931 -17.896 -9.457 1.00 0.00 C ATOM 14 C ASP A -4 12.640 -18.001 -10.264 1.00 0.00 C ATOM 15 O ASP A -4 12.375 -19.022 -10.899 1.00 0.00 O ATOM 16 CB ASP A -4 13.606 -17.764 -7.968 1.00 0.00 C ATOM 17 CG ASP A -4 14.738 -18.251 -7.084 1.00 0.00 C ATOM 18 OD1 ASP A -4 15.266 -19.352 -7.348 1.00 0.00 O ATOM 19 OD2 ASP A -4 15.096 -17.531 -6.129 1.00 0.00 O ATOM 0 H ASP A -4 14.619 -15.920 -9.339 1.00 0.00 H new ATOM 0 HA ASP A -4 14.513 -18.804 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A -4 13.391 -16.721 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A -4 12.703 -18.332 -7.744 1.00 0.00 H new ATOM 24 N HIS A -3 11.840 -16.940 -10.233 1.00 0.00 N ATOM 25 CA HIS A -3 10.577 -16.913 -10.961 1.00 0.00 C ATOM 26 C HIS A -3 10.116 -15.478 -11.197 1.00 0.00 C ATOM 27 O HIS A -3 10.733 -14.530 -10.711 1.00 0.00 O ATOM 28 CB HIS A -3 9.505 -17.686 -10.192 1.00 0.00 C ATOM 29 CG HIS A -3 8.446 -18.277 -11.072 1.00 0.00 C ATOM 30 ND1 HIS A -3 7.101 -18.025 -10.904 1.00 0.00 N ATOM 31 CD2 HIS A -3 8.542 -19.112 -12.133 1.00 0.00 C ATOM 32 CE1 HIS A -3 6.414 -18.681 -11.823 1.00 0.00 C ATOM 33 NE2 HIS A -3 7.265 -19.348 -12.582 1.00 0.00 N ATOM 0 H HIS A -3 12.044 -16.088 -9.711 1.00 0.00 H new ATOM 0 HA HIS A -3 10.734 -17.389 -11.929 1.00 0.00 H new ATOM 0 HB2 HIS A -3 9.982 -18.485 -9.624 1.00 0.00 H new ATOM 0 HB3 HIS A -3 9.035 -17.018 -9.470 1.00 0.00 H new ATOM 0 HD2 HIS A -3 9.453 -19.517 -12.549 1.00 0.00 H new ATOM 0 HE1 HIS A -3 5.340 -18.673 -11.934 1.00 0.00 H new ATOM 0 HE2 HIS A -3 7.015 -19.942 -13.373 1.00 0.00 H new ATOM 42 N MET A -2 9.029 -15.326 -11.946 1.00 0.00 N ATOM 43 CA MET A -2 8.486 -14.007 -12.245 1.00 0.00 C ATOM 44 C MET A -2 7.710 -13.455 -11.054 1.00 0.00 C ATOM 45 O MET A -2 7.855 -12.287 -10.692 1.00 0.00 O ATOM 46 CB MET A -2 7.577 -14.072 -13.474 1.00 0.00 C ATOM 47 CG MET A -2 7.187 -12.707 -14.016 1.00 0.00 C ATOM 48 SD MET A -2 5.580 -12.716 -14.833 1.00 0.00 S ATOM 49 CE MET A -2 4.505 -12.268 -13.471 1.00 0.00 C ATOM 0 H MET A -2 8.507 -16.100 -12.357 1.00 0.00 H new ATOM 0 HA MET A -2 9.321 -13.338 -12.454 1.00 0.00 H new ATOM 0 HB2 MET A -2 8.082 -14.635 -14.259 1.00 0.00 H new ATOM 0 HB3 MET A -2 6.673 -14.624 -13.218 1.00 0.00 H new ATOM 0 HG2 MET A -2 7.170 -11.987 -13.198 1.00 0.00 H new ATOM 0 HG3 MET A -2 7.947 -12.370 -14.721 1.00 0.00 H new ATOM 0 HE1 MET A -2 3.473 -12.232 -13.819 1.00 0.00 H new ATOM 0 HE2 MET A -2 4.595 -13.010 -12.678 1.00 0.00 H new ATOM 0 HE3 MET A -2 4.793 -11.289 -13.087 1.00 0.00 H new ATOM 59 N THR A -1 6.884 -14.302 -10.447 1.00 0.00 N ATOM 60 CA THR A -1 6.085 -13.899 -9.297 1.00 0.00 C ATOM 61 C THR A -1 6.896 -13.975 -8.009 1.00 0.00 C ATOM 62 O THR A -1 7.606 -14.951 -7.769 1.00 0.00 O ATOM 63 CB THR A -1 4.827 -14.776 -9.152 1.00 0.00 C ATOM 64 OG1 THR A -1 4.090 -14.784 -10.380 1.00 0.00 O ATOM 65 CG2 THR A -1 3.940 -14.268 -8.025 1.00 0.00 C ATOM 0 H THR A -1 6.751 -15.272 -10.733 1.00 0.00 H new ATOM 0 HA THR A -1 5.781 -12.867 -9.470 1.00 0.00 H new ATOM 0 HB THR A -1 5.145 -15.791 -8.914 1.00 0.00 H new ATOM 0 HG1 THR A -1 3.293 -15.345 -10.279 1.00 0.00 H new ATOM 0 HG21 THR A -1 3.058 -14.903 -7.942 1.00 0.00 H new ATOM 0 HG22 THR A -1 4.494 -14.292 -7.087 1.00 0.00 H new ATOM 0 HG23 THR A -1 3.631 -13.245 -8.238 1.00 0.00 H new ATOM 73 N MET A 1 6.784 -12.941 -7.182 1.00 0.00 N ATOM 74 CA MET A 1 7.507 -12.893 -5.916 1.00 0.00 C ATOM 75 C MET A 1 6.539 -12.800 -4.741 1.00 0.00 C ATOM 76 O MET A 1 5.333 -12.642 -4.929 1.00 0.00 O ATOM 77 CB MET A 1 8.467 -11.702 -5.897 1.00 0.00 C ATOM 78 CG MET A 1 9.487 -11.725 -7.024 1.00 0.00 C ATOM 79 SD MET A 1 10.163 -10.093 -7.383 1.00 0.00 S ATOM 80 CE MET A 1 10.952 -10.393 -8.963 1.00 0.00 C ATOM 0 H MET A 1 6.200 -12.125 -7.365 1.00 0.00 H new ATOM 0 HA MET A 1 8.081 -13.814 -5.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.890 -10.780 -5.959 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.993 -11.685 -4.942 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.300 -12.400 -6.759 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.020 -12.126 -7.923 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.417 -9.473 -9.318 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.713 -11.164 -8.849 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.206 -10.724 -9.685 1.00 0.00 H new ATOM 90 N SER A 2 7.075 -12.898 -3.529 1.00 0.00 N ATOM 91 CA SER A 2 6.258 -12.830 -2.323 1.00 0.00 C ATOM 92 C SER A 2 5.751 -11.409 -2.091 1.00 0.00 C ATOM 93 O SER A 2 6.345 -10.642 -1.333 1.00 0.00 O ATOM 94 CB SER A 2 7.061 -13.301 -1.110 1.00 0.00 C ATOM 95 OG SER A 2 8.293 -12.607 -1.012 1.00 0.00 O ATOM 0 H SER A 2 8.072 -13.025 -3.356 1.00 0.00 H new ATOM 0 HA SER A 2 5.399 -13.487 -2.458 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.479 -13.145 -0.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.249 -14.372 -1.188 1.00 0.00 H new ATOM 0 HG SER A 2 8.130 -11.642 -1.068 1.00 0.00 H new ATOM 101 N LEU A 3 4.649 -11.067 -2.749 1.00 0.00 N ATOM 102 CA LEU A 3 4.060 -9.739 -2.616 1.00 0.00 C ATOM 103 C LEU A 3 5.143 -8.675 -2.470 1.00 0.00 C ATOM 104 O LEU A 3 4.975 -7.702 -1.736 1.00 0.00 O ATOM 105 CB LEU A 3 3.120 -9.695 -1.410 1.00 0.00 C ATOM 106 CG LEU A 3 1.946 -8.720 -1.508 1.00 0.00 C ATOM 107 CD1 LEU A 3 0.766 -9.222 -0.692 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.366 -7.332 -1.046 1.00 0.00 C ATOM 0 H LEU A 3 4.145 -11.691 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 3 3.490 -9.529 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.722 -10.697 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.706 -9.439 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 3 1.638 -8.656 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.060 -8.515 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.450 -10.195 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.060 -9.317 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.518 -6.651 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.701 -7.379 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.180 -6.970 -1.674 1.00 0.00 H new ATOM 120 N GLN A 4 6.253 -8.867 -3.176 1.00 0.00 N ATOM 121 CA GLN A 4 7.362 -7.922 -3.126 1.00 0.00 C ATOM 122 C GLN A 4 7.279 -6.923 -4.275 1.00 0.00 C ATOM 123 O GLN A 4 7.440 -5.720 -4.077 1.00 0.00 O ATOM 124 CB GLN A 4 8.697 -8.668 -3.178 1.00 0.00 C ATOM 125 CG GLN A 4 9.823 -7.952 -2.448 1.00 0.00 C ATOM 126 CD GLN A 4 9.462 -7.603 -1.018 1.00 0.00 C ATOM 127 OE1 GLN A 4 8.503 -8.329 -0.455 1.00 0.00 O flip ATOM 128 NE2 GLN A 4 10.039 -6.691 -0.425 1.00 0.00 N flip ATOM 0 H GLN A 4 6.408 -9.668 -3.789 1.00 0.00 H new ATOM 0 HA GLN A 4 7.296 -7.373 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.567 -9.660 -2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.984 -8.811 -4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.712 -8.583 -2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.078 -7.040 -2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.770 -6.159 -0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.786 -6.468 0.537 1.00 0.00 H new ATOM 137 N MET A 5 7.028 -7.432 -5.477 1.00 0.00 N ATOM 138 CA MET A 5 6.923 -6.583 -6.658 1.00 0.00 C ATOM 139 C MET A 5 5.880 -5.489 -6.451 1.00 0.00 C ATOM 140 O MET A 5 5.851 -4.500 -7.184 1.00 0.00 O ATOM 141 CB MET A 5 6.561 -7.422 -7.885 1.00 0.00 C ATOM 142 CG MET A 5 6.774 -6.695 -9.203 1.00 0.00 C ATOM 143 SD MET A 5 8.517 -6.542 -9.639 1.00 0.00 S ATOM 144 CE MET A 5 8.413 -6.457 -11.425 1.00 0.00 C ATOM 0 H MET A 5 6.894 -8.427 -5.659 1.00 0.00 H new ATOM 0 HA MET A 5 7.892 -6.111 -6.822 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.159 -8.333 -7.881 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.517 -7.726 -7.812 1.00 0.00 H new ATOM 0 HG2 MET A 5 6.251 -7.229 -9.996 1.00 0.00 H new ATOM 0 HG3 MET A 5 6.331 -5.701 -9.141 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.415 -6.360 -11.844 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.947 -7.366 -11.806 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.814 -5.593 -11.714 1.00 0.00 H new ATOM 154 N ILE A 6 5.027 -5.674 -5.449 1.00 0.00 N ATOM 155 CA ILE A 6 3.984 -4.702 -5.146 1.00 0.00 C ATOM 156 C ILE A 6 4.449 -3.709 -4.087 1.00 0.00 C ATOM 157 O ILE A 6 4.585 -2.515 -4.356 1.00 0.00 O ATOM 158 CB ILE A 6 2.696 -5.391 -4.658 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.357 -6.582 -5.557 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.543 -4.399 -4.626 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.102 -6.198 -6.997 1.00 0.00 C ATOM 0 H ILE A 6 5.038 -6.487 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 6 3.772 -4.168 -6.072 1.00 0.00 H new ATOM 0 HB ILE A 6 2.860 -5.759 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.177 -7.299 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.475 -7.086 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.640 -4.902 -4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.786 -3.581 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.376 -4.003 -5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.868 -7.091 -7.576 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.263 -5.504 -7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.991 -5.721 -7.409 1.00 0.00 H new ATOM 173 N VAL A 7 4.693 -4.210 -2.880 1.00 0.00 N ATOM 174 CA VAL A 7 5.146 -3.368 -1.779 1.00 0.00 C ATOM 175 C VAL A 7 6.298 -2.470 -2.213 1.00 0.00 C ATOM 176 O VAL A 7 6.446 -1.352 -1.720 1.00 0.00 O ATOM 177 CB VAL A 7 5.594 -4.214 -0.573 1.00 0.00 C ATOM 178 CG1 VAL A 7 4.421 -4.996 -0.003 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.726 -5.150 -0.971 1.00 0.00 C ATOM 0 H VAL A 7 4.584 -5.195 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 7 4.299 -2.749 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 7 5.963 -3.543 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.757 -5.588 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.645 -4.303 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.019 -5.659 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.031 -5.741 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.386 -5.816 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.574 -4.565 -1.328 1.00 0.00 H new ATOM 189 N GLU A 8 7.113 -2.967 -3.139 1.00 0.00 N ATOM 190 CA GLU A 8 8.253 -2.209 -3.639 1.00 0.00 C ATOM 191 C GLU A 8 7.796 -0.917 -4.312 1.00 0.00 C ATOM 192 O GLU A 8 8.482 0.102 -4.255 1.00 0.00 O ATOM 193 CB GLU A 8 9.062 -3.052 -4.627 1.00 0.00 C ATOM 194 CG GLU A 8 8.383 -3.227 -5.975 1.00 0.00 C ATOM 195 CD GLU A 8 9.353 -3.637 -7.067 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.065 -4.645 -6.881 1.00 0.00 O ATOM 197 OE2 GLU A 8 9.398 -2.948 -8.108 1.00 0.00 O ATOM 0 H GLU A 8 7.004 -3.891 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 8 8.885 -1.952 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.036 -2.586 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.243 -4.034 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.600 -3.980 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.897 -2.293 -6.257 1.00 0.00 H new ATOM 204 N ASN A 9 6.630 -0.970 -4.949 1.00 0.00 N ATOM 205 CA ASN A 9 6.081 0.194 -5.634 1.00 0.00 C ATOM 206 C ASN A 9 5.751 1.304 -4.640 1.00 0.00 C ATOM 207 O ASN A 9 5.890 2.488 -4.947 1.00 0.00 O ATOM 208 CB ASN A 9 4.825 -0.194 -6.417 1.00 0.00 C ATOM 209 CG ASN A 9 5.150 -0.786 -7.775 1.00 0.00 C ATOM 210 OD1 ASN A 9 5.360 -0.059 -8.746 1.00 0.00 O ATOM 211 ND2 ASN A 9 5.193 -2.111 -7.848 1.00 0.00 N ATOM 0 H ASN A 9 6.048 -1.806 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 9 6.834 0.564 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.248 -0.915 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.196 0.686 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.407 -2.566 -8.735 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.012 -2.674 -7.017 1.00 0.00 H new ATOM 218 N VAL A 10 5.313 0.913 -3.448 1.00 0.00 N ATOM 219 CA VAL A 10 4.965 1.874 -2.408 1.00 0.00 C ATOM 220 C VAL A 10 6.140 2.793 -2.094 1.00 0.00 C ATOM 221 O VAL A 10 5.996 4.016 -2.066 1.00 0.00 O ATOM 222 CB VAL A 10 4.522 1.165 -1.114 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.056 2.180 -0.082 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.426 0.152 -1.411 1.00 0.00 C ATOM 0 H VAL A 10 5.191 -0.063 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 10 4.135 2.468 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 10 5.378 0.630 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.747 1.661 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.873 2.863 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.214 2.745 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.125 -0.340 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.567 0.662 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.800 -0.593 -2.113 1.00 0.00 H new ATOM 234 N LYS A 11 7.304 2.197 -1.857 1.00 0.00 N ATOM 235 CA LYS A 11 8.506 2.961 -1.546 1.00 0.00 C ATOM 236 C LYS A 11 8.786 3.999 -2.629 1.00 0.00 C ATOM 237 O LYS A 11 9.313 5.076 -2.349 1.00 0.00 O ATOM 238 CB LYS A 11 9.707 2.024 -1.400 1.00 0.00 C ATOM 239 CG LYS A 11 9.509 0.940 -0.355 1.00 0.00 C ATOM 240 CD LYS A 11 9.016 1.519 0.961 1.00 0.00 C ATOM 241 CE LYS A 11 9.430 0.652 2.141 1.00 0.00 C ATOM 242 NZ LYS A 11 10.910 0.550 2.262 1.00 0.00 N ATOM 0 H LYS A 11 7.440 1.186 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 11 8.342 3.481 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.911 1.556 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.587 2.612 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.792 0.206 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.449 0.413 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.415 2.525 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.930 1.608 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.018 1.069 3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.006 -0.345 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.165 0.356 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.255 -0.223 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.345 1.445 1.961 1.00 0.00 H new ATOM 256 N LEU A 12 8.430 3.668 -3.865 1.00 0.00 N ATOM 257 CA LEU A 12 8.642 4.573 -4.990 1.00 0.00 C ATOM 258 C LEU A 12 7.752 5.806 -4.872 1.00 0.00 C ATOM 259 O LEU A 12 8.171 6.918 -5.193 1.00 0.00 O ATOM 260 CB LEU A 12 8.360 3.852 -6.309 1.00 0.00 C ATOM 261 CG LEU A 12 8.546 4.681 -7.581 1.00 0.00 C ATOM 262 CD1 LEU A 12 7.405 5.673 -7.742 1.00 0.00 C ATOM 263 CD2 LEU A 12 9.885 5.404 -7.554 1.00 0.00 C ATOM 0 H LEU A 12 7.993 2.780 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 12 9.683 4.896 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.011 2.980 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.334 3.483 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 12 8.537 4.007 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.554 6.254 -8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.460 5.133 -7.806 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.382 6.344 -6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.001 5.989 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.923 6.068 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.691 4.674 -7.486 1.00 0.00 H new ATOM 275 N ALA A 13 6.524 5.602 -4.407 1.00 0.00 N ATOM 276 CA ALA A 13 5.578 6.698 -4.242 1.00 0.00 C ATOM 277 C ALA A 13 5.897 7.516 -2.996 1.00 0.00 C ATOM 278 O ALA A 13 5.735 8.737 -2.984 1.00 0.00 O ATOM 279 CB ALA A 13 4.155 6.161 -4.174 1.00 0.00 C ATOM 0 H ALA A 13 6.161 4.687 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 13 5.666 7.355 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.459 6.990 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.923 5.627 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.063 5.481 -3.327 1.00 0.00 H new ATOM 285 N ARG A 14 6.350 6.836 -1.947 1.00 0.00 N ATOM 286 CA ARG A 14 6.690 7.501 -0.695 1.00 0.00 C ATOM 287 C ARG A 14 7.862 8.459 -0.888 1.00 0.00 C ATOM 288 O ARG A 14 7.942 9.496 -0.231 1.00 0.00 O ATOM 289 CB ARG A 14 7.034 6.467 0.379 1.00 0.00 C ATOM 290 CG ARG A 14 7.701 7.063 1.608 1.00 0.00 C ATOM 291 CD ARG A 14 9.211 7.126 1.447 1.00 0.00 C ATOM 292 NE ARG A 14 9.864 5.913 1.930 1.00 0.00 N ATOM 293 CZ ARG A 14 11.129 5.870 2.334 1.00 0.00 C ATOM 294 NH1 ARG A 14 11.873 6.967 2.313 1.00 0.00 N ATOM 295 NH2 ARG A 14 11.652 4.727 2.760 1.00 0.00 N ATOM 0 H ARG A 14 6.490 5.826 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 14 5.823 8.077 -0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.121 5.955 0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.693 5.714 -0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.311 8.065 1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.452 6.465 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.457 7.276 0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.598 7.987 1.991 1.00 0.00 H new ATOM 0 HE ARG A 14 9.319 5.051 1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.475 7.847 1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.844 6.931 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.083 3.881 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.623 4.695 3.070 1.00 0.00 H new ATOM 309 N GLU A 15 8.768 8.102 -1.793 1.00 0.00 N ATOM 310 CA GLU A 15 9.936 8.929 -2.071 1.00 0.00 C ATOM 311 C GLU A 15 9.548 10.165 -2.879 1.00 0.00 C ATOM 312 O GLU A 15 10.014 11.271 -2.604 1.00 0.00 O ATOM 313 CB GLU A 15 10.992 8.122 -2.829 1.00 0.00 C ATOM 314 CG GLU A 15 12.392 8.704 -2.726 1.00 0.00 C ATOM 315 CD GLU A 15 13.474 7.653 -2.887 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.257 6.692 -3.655 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.536 7.791 -2.245 1.00 0.00 O ATOM 0 H GLU A 15 8.715 7.246 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 15 10.353 9.255 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.002 7.102 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.708 8.064 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.520 9.471 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.508 9.194 -1.759 1.00 0.00 H new ATOM 324 N TYR A 16 8.693 9.967 -3.876 1.00 0.00 N ATOM 325 CA TYR A 16 8.245 11.063 -4.726 1.00 0.00 C ATOM 326 C TYR A 16 7.515 12.124 -3.908 1.00 0.00 C ATOM 327 O TYR A 16 7.632 13.319 -4.174 1.00 0.00 O ATOM 328 CB TYR A 16 7.329 10.537 -5.832 1.00 0.00 C ATOM 329 CG TYR A 16 8.070 9.846 -6.955 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.129 8.987 -6.689 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.710 10.053 -8.281 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.809 8.355 -7.712 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.384 9.424 -9.310 1.00 0.00 C ATOM 334 CZ TYR A 16 9.433 8.576 -9.021 1.00 0.00 C ATOM 335 OH TYR A 16 10.107 7.947 -10.042 1.00 0.00 O ATOM 0 H TYR A 16 8.297 9.058 -4.115 1.00 0.00 H new ATOM 0 HA TYR A 16 9.125 11.521 -5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.613 9.840 -5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.756 11.368 -6.243 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.425 8.810 -5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.890 10.717 -8.511 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.631 7.691 -7.488 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.091 9.595 -10.335 1.00 0.00 H new ATOM 0 HH TYR A 16 9.717 8.209 -10.902 1.00 0.00 H new ATOM 345 N ALA A 17 6.760 11.676 -2.909 1.00 0.00 N ATOM 346 CA ALA A 17 6.013 12.585 -2.049 1.00 0.00 C ATOM 347 C ALA A 17 6.944 13.572 -1.353 1.00 0.00 C ATOM 348 O ALA A 17 6.646 14.764 -1.263 1.00 0.00 O ATOM 349 CB ALA A 17 5.210 11.800 -1.022 1.00 0.00 C ATOM 0 H ALA A 17 6.650 10.689 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 17 5.325 13.154 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.657 12.492 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.510 11.140 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.887 11.205 -0.408 1.00 0.00 H new ATOM 355 N LEU A 18 8.071 13.070 -0.862 1.00 0.00 N ATOM 356 CA LEU A 18 9.046 13.908 -0.173 1.00 0.00 C ATOM 357 C LEU A 18 9.805 14.786 -1.163 1.00 0.00 C ATOM 358 O LEU A 18 9.863 16.007 -1.008 1.00 0.00 O ATOM 359 CB LEU A 18 10.029 13.039 0.614 1.00 0.00 C ATOM 360 CG LEU A 18 9.467 11.735 1.182 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.371 11.198 2.281 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.054 11.948 1.707 1.00 0.00 C ATOM 0 H LEU A 18 8.333 12.086 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 18 8.508 14.555 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.869 12.796 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.425 13.630 1.439 1.00 0.00 H new ATOM 0 HG LEU A 18 9.428 10.998 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.955 10.270 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.364 11.007 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.442 11.931 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.669 11.010 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.068 12.700 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.411 12.286 0.894 1.00 0.00 H new ATOM 374 N LEU A 19 10.384 14.158 -2.180 1.00 0.00 N ATOM 375 CA LEU A 19 11.138 14.882 -3.197 1.00 0.00 C ATOM 376 C LEU A 19 10.387 16.132 -3.645 1.00 0.00 C ATOM 377 O LEU A 19 10.996 17.139 -4.003 1.00 0.00 O ATOM 378 CB LEU A 19 11.409 13.977 -4.400 1.00 0.00 C ATOM 379 CG LEU A 19 12.698 13.156 -4.346 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.877 12.534 -2.970 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.691 12.081 -5.423 1.00 0.00 C ATOM 0 H LEU A 19 10.346 13.149 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 19 12.088 15.189 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.569 13.291 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.434 14.596 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 19 13.540 13.823 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.799 11.954 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.928 13.322 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.032 11.880 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.616 11.507 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.841 11.416 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.611 12.549 -6.404 1.00 0.00 H new ATOM 393 N GLY A 20 9.060 16.059 -3.621 1.00 0.00 N ATOM 394 CA GLY A 20 8.247 17.191 -4.025 1.00 0.00 C ATOM 395 C GLY A 20 7.068 16.782 -4.885 1.00 0.00 C ATOM 396 O GLY A 20 6.091 17.519 -5.002 1.00 0.00 O ATOM 0 H GLY A 20 8.533 15.236 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.883 17.708 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.865 17.900 -4.575 1.00 0.00 H new ATOM 400 N ASN A 21 7.161 15.602 -5.490 1.00 0.00 N ATOM 401 CA ASN A 21 6.094 15.096 -6.346 1.00 0.00 C ATOM 402 C ASN A 21 5.152 14.187 -5.562 1.00 0.00 C ATOM 403 O ASN A 21 5.498 13.051 -5.236 1.00 0.00 O ATOM 404 CB ASN A 21 6.684 14.335 -7.535 1.00 0.00 C ATOM 405 CG ASN A 21 5.800 14.410 -8.765 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.498 14.558 -8.550 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 6.282 14.336 -9.895 1.00 0.00 N flip ATOM 0 H ASN A 21 7.964 14.979 -5.403 1.00 0.00 H new ATOM 0 HA ASN A 21 5.523 15.948 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.667 14.742 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.830 13.291 -7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.289 14.222 -10.014 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.675 14.388 -10.713 1.00 0.00 H new ATOM 414 N TYR A 22 3.961 14.694 -5.265 1.00 0.00 N ATOM 415 CA TYR A 22 2.970 13.929 -4.518 1.00 0.00 C ATOM 416 C TYR A 22 1.932 13.320 -5.456 1.00 0.00 C ATOM 417 O TYR A 22 1.528 12.169 -5.288 1.00 0.00 O ATOM 418 CB TYR A 22 2.278 14.821 -3.485 1.00 0.00 C ATOM 419 CG TYR A 22 3.211 15.803 -2.812 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.650 16.941 -3.477 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.653 15.591 -1.512 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.502 17.841 -2.866 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.504 16.486 -0.893 1.00 0.00 C ATOM 424 CZ TYR A 22 4.926 17.609 -1.574 1.00 0.00 C ATOM 425 OH TYR A 22 5.775 18.502 -0.961 1.00 0.00 O ATOM 0 H TYR A 22 3.658 15.631 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 22 3.487 13.120 -4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.474 15.372 -3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.816 14.191 -2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.320 17.125 -4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.326 14.712 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.834 18.721 -3.397 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.837 16.307 0.119 1.00 0.00 H new ATOM 0 HH TYR A 22 5.976 18.192 -0.053 1.00 0.00 H new ATOM 435 N ASP A 23 1.507 14.099 -6.443 1.00 0.00 N ATOM 436 CA ASP A 23 0.518 13.638 -7.411 1.00 0.00 C ATOM 437 C ASP A 23 0.929 12.296 -8.009 1.00 0.00 C ATOM 438 O ASP A 23 0.089 11.426 -8.242 1.00 0.00 O ATOM 439 CB ASP A 23 0.338 14.672 -8.522 1.00 0.00 C ATOM 440 CG ASP A 23 -0.884 14.399 -9.376 1.00 0.00 C ATOM 441 OD1 ASP A 23 -1.948 14.081 -8.805 1.00 0.00 O ATOM 442 OD2 ASP A 23 -0.776 14.503 -10.616 1.00 0.00 O ATOM 0 H ASP A 23 1.832 15.054 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.431 13.509 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.254 15.665 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.225 14.679 -9.155 1.00 0.00 H new ATOM 447 N SER A 24 2.225 12.136 -8.257 1.00 0.00 N ATOM 448 CA SER A 24 2.746 10.902 -8.833 1.00 0.00 C ATOM 449 C SER A 24 2.656 9.754 -7.832 1.00 0.00 C ATOM 450 O SER A 24 2.541 8.590 -8.214 1.00 0.00 O ATOM 451 CB SER A 24 4.198 11.095 -9.275 1.00 0.00 C ATOM 452 OG SER A 24 4.654 9.984 -10.028 1.00 0.00 O ATOM 0 H SER A 24 2.933 12.845 -8.068 1.00 0.00 H new ATOM 0 HA SER A 24 2.138 10.651 -9.702 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.282 12.003 -9.873 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.833 11.230 -8.399 1.00 0.00 H new ATOM 0 HG SER A 24 5.555 9.737 -9.733 1.00 0.00 H new ATOM 458 N ALA A 25 2.709 10.092 -6.548 1.00 0.00 N ATOM 459 CA ALA A 25 2.631 9.091 -5.491 1.00 0.00 C ATOM 460 C ALA A 25 1.208 8.563 -5.339 1.00 0.00 C ATOM 461 O ALA A 25 1.002 7.389 -5.032 1.00 0.00 O ATOM 462 CB ALA A 25 3.122 9.675 -4.174 1.00 0.00 C ATOM 0 H ALA A 25 2.806 11.051 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 25 3.274 8.255 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.058 8.917 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.157 9.998 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.502 10.529 -3.901 1.00 0.00 H new ATOM 468 N MET A 26 0.231 9.437 -5.555 1.00 0.00 N ATOM 469 CA MET A 26 -1.173 9.057 -5.443 1.00 0.00 C ATOM 470 C MET A 26 -1.510 7.930 -6.414 1.00 0.00 C ATOM 471 O MET A 26 -1.984 6.868 -6.008 1.00 0.00 O ATOM 472 CB MET A 26 -2.073 10.264 -5.711 1.00 0.00 C ATOM 473 CG MET A 26 -1.854 11.414 -4.741 1.00 0.00 C ATOM 474 SD MET A 26 -1.727 10.863 -3.029 1.00 0.00 S ATOM 475 CE MET A 26 0.009 10.430 -2.941 1.00 0.00 C ATOM 0 H MET A 26 0.385 10.413 -5.809 1.00 0.00 H new ATOM 0 HA MET A 26 -1.348 8.702 -4.427 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.898 10.618 -6.727 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.115 9.949 -5.658 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.944 11.948 -5.015 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.678 12.122 -4.831 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.350 10.501 -1.908 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.148 9.410 -3.300 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.587 11.115 -3.561 1.00 0.00 H new ATOM 485 N VAL A 27 -1.264 8.168 -7.698 1.00 0.00 N ATOM 486 CA VAL A 27 -1.541 7.172 -8.727 1.00 0.00 C ATOM 487 C VAL A 27 -0.843 5.853 -8.417 1.00 0.00 C ATOM 488 O VAL A 27 -1.378 4.777 -8.687 1.00 0.00 O ATOM 489 CB VAL A 27 -1.095 7.663 -10.117 1.00 0.00 C ATOM 490 CG1 VAL A 27 -1.549 9.096 -10.349 1.00 0.00 C ATOM 491 CG2 VAL A 27 0.414 7.542 -10.266 1.00 0.00 C ATOM 0 H VAL A 27 -0.873 9.042 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.620 7.015 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.563 7.033 -10.873 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.225 9.425 -11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.636 9.148 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.112 9.744 -9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.711 7.893 -11.254 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.905 8.146 -9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.709 6.499 -10.148 1.00 0.00 H new ATOM 501 N TYR A 28 0.355 5.943 -7.849 1.00 0.00 N ATOM 502 CA TYR A 28 1.128 4.756 -7.504 1.00 0.00 C ATOM 503 C TYR A 28 0.498 4.018 -6.327 1.00 0.00 C ATOM 504 O TYR A 28 0.283 2.807 -6.382 1.00 0.00 O ATOM 505 CB TYR A 28 2.569 5.141 -7.166 1.00 0.00 C ATOM 506 CG TYR A 28 3.506 5.083 -8.352 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.382 5.981 -9.405 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.515 4.131 -8.419 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.234 5.931 -10.491 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.373 4.074 -9.500 1.00 0.00 C ATOM 511 CZ TYR A 28 5.229 4.976 -10.534 1.00 0.00 C ATOM 512 OH TYR A 28 6.081 4.924 -11.613 1.00 0.00 O ATOM 0 H TYR A 28 0.811 6.825 -7.618 1.00 0.00 H new ATOM 0 HA TYR A 28 1.129 4.091 -8.368 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.579 6.150 -6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.941 4.475 -6.387 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.606 6.731 -9.374 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.631 3.423 -7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.122 6.635 -11.302 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.152 3.327 -9.536 1.00 0.00 H new ATOM 0 HH TYR A 28 6.724 4.195 -11.487 1.00 0.00 H new ATOM 522 N TYR A 29 0.202 4.758 -5.264 1.00 0.00 N ATOM 523 CA TYR A 29 -0.402 4.175 -4.072 1.00 0.00 C ATOM 524 C TYR A 29 -1.684 3.425 -4.422 1.00 0.00 C ATOM 525 O TYR A 29 -1.878 2.282 -4.010 1.00 0.00 O ATOM 526 CB TYR A 29 -0.701 5.265 -3.041 1.00 0.00 C ATOM 527 CG TYR A 29 0.429 5.501 -2.065 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.756 4.549 -1.107 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.168 6.677 -2.098 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.787 4.760 -0.212 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.202 6.896 -1.208 1.00 0.00 C ATOM 532 CZ TYR A 29 2.507 5.935 -0.267 1.00 0.00 C ATOM 533 OH TYR A 29 3.535 6.151 0.622 1.00 0.00 O ATOM 0 H TYR A 29 0.370 5.762 -5.204 1.00 0.00 H new ATOM 0 HA TYR A 29 0.308 3.466 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.920 6.197 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.598 4.992 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.194 3.628 -1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.930 7.433 -2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.028 4.009 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.768 7.815 -1.249 1.00 0.00 H new ATOM 0 HH TYR A 29 3.940 7.026 0.447 1.00 0.00 H new ATOM 543 N GLN A 30 -2.554 4.078 -5.186 1.00 0.00 N ATOM 544 CA GLN A 30 -3.817 3.473 -5.592 1.00 0.00 C ATOM 545 C GLN A 30 -3.580 2.156 -6.323 1.00 0.00 C ATOM 546 O GLN A 30 -4.297 1.179 -6.110 1.00 0.00 O ATOM 547 CB GLN A 30 -4.601 4.434 -6.487 1.00 0.00 C ATOM 548 CG GLN A 30 -6.069 4.065 -6.637 1.00 0.00 C ATOM 549 CD GLN A 30 -6.275 2.584 -6.888 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.059 1.942 -6.029 1.00 0.00 O flip ATOM 551 NE2 GLN A 30 -5.737 2.023 -7.843 1.00 0.00 N flip ATOM 0 H GLN A 30 -2.408 5.025 -5.536 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.399 3.268 -4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.528 5.441 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.138 4.458 -7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.607 4.355 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.500 4.633 -7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.142 2.555 -8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.886 1.026 -7.999 1.00 0.00 H new ATOM 560 N GLY A 31 -2.569 2.138 -7.187 1.00 0.00 N ATOM 561 CA GLY A 31 -2.257 0.935 -7.937 1.00 0.00 C ATOM 562 C GLY A 31 -1.784 -0.197 -7.047 1.00 0.00 C ATOM 563 O GLY A 31 -2.294 -1.314 -7.127 1.00 0.00 O ATOM 0 H GLY A 31 -1.961 2.934 -7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.141 0.615 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.486 1.160 -8.674 1.00 0.00 H new ATOM 567 N VAL A 32 -0.804 0.091 -6.196 1.00 0.00 N ATOM 568 CA VAL A 32 -0.261 -0.912 -5.287 1.00 0.00 C ATOM 569 C VAL A 32 -1.365 -1.555 -4.456 1.00 0.00 C ATOM 570 O VAL A 32 -1.440 -2.779 -4.345 1.00 0.00 O ATOM 571 CB VAL A 32 0.789 -0.301 -4.340 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.298 -1.348 -3.361 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.939 0.299 -5.136 1.00 0.00 C ATOM 0 H VAL A 32 -0.370 1.011 -6.117 1.00 0.00 H new ATOM 0 HA VAL A 32 0.216 -1.673 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 32 0.316 0.498 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.039 -0.898 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.465 -1.727 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.755 -2.170 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.672 0.726 -4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.412 -0.479 -5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.558 1.081 -5.793 1.00 0.00 H new ATOM 583 N LEU A 33 -2.222 -0.722 -3.874 1.00 0.00 N ATOM 584 CA LEU A 33 -3.324 -1.210 -3.053 1.00 0.00 C ATOM 585 C LEU A 33 -4.220 -2.154 -3.848 1.00 0.00 C ATOM 586 O LEU A 33 -4.656 -3.187 -3.340 1.00 0.00 O ATOM 587 CB LEU A 33 -4.147 -0.035 -2.520 1.00 0.00 C ATOM 588 CG LEU A 33 -3.408 0.941 -1.604 1.00 0.00 C ATOM 589 CD1 LEU A 33 -4.059 2.314 -1.651 1.00 0.00 C ATOM 590 CD2 LEU A 33 -3.376 0.413 -0.177 1.00 0.00 C ATOM 0 H LEU A 33 -2.174 0.294 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.902 -1.762 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.540 0.523 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.004 -0.434 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.382 1.036 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.520 2.995 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.030 2.696 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.095 2.237 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.846 1.120 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.396 0.288 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.863 -0.549 -0.156 1.00 0.00 H new ATOM 602 N ASP A 34 -4.489 -1.793 -5.098 1.00 0.00 N ATOM 603 CA ASP A 34 -5.331 -2.609 -5.965 1.00 0.00 C ATOM 604 C ASP A 34 -4.688 -3.968 -6.223 1.00 0.00 C ATOM 605 O ASP A 34 -5.352 -5.002 -6.156 1.00 0.00 O ATOM 606 CB ASP A 34 -5.582 -1.890 -7.291 1.00 0.00 C ATOM 607 CG ASP A 34 -6.811 -1.003 -7.244 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.659 -1.210 -6.351 1.00 0.00 O ATOM 609 OD2 ASP A 34 -6.924 -0.101 -8.100 1.00 0.00 O ATOM 0 H ASP A 34 -4.136 -0.941 -5.533 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.284 -2.768 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.711 -1.286 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.700 -2.628 -8.085 1.00 0.00 H new ATOM 614 N GLN A 35 -3.392 -3.957 -6.520 1.00 0.00 N ATOM 615 CA GLN A 35 -2.660 -5.189 -6.790 1.00 0.00 C ATOM 616 C GLN A 35 -2.484 -6.008 -5.516 1.00 0.00 C ATOM 617 O GLN A 35 -2.461 -7.238 -5.556 1.00 0.00 O ATOM 618 CB GLN A 35 -1.293 -4.872 -7.400 1.00 0.00 C ATOM 619 CG GLN A 35 -1.375 -4.181 -8.751 1.00 0.00 C ATOM 620 CD GLN A 35 -2.417 -4.801 -9.661 1.00 0.00 C ATOM 621 OE1 GLN A 35 -3.665 -4.374 -9.511 1.00 0.00 O flip ATOM 622 NE2 GLN A 35 -2.103 -5.656 -10.491 1.00 0.00 N flip ATOM 0 H GLN A 35 -2.828 -3.109 -6.580 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.239 -5.778 -7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.735 -4.238 -6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.729 -5.799 -7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.609 -3.127 -8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.401 -4.226 -9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.131 -5.955 -10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.815 -6.065 -11.097 1.00 0.00 H new ATOM 631 N MET A 36 -2.361 -5.318 -4.387 1.00 0.00 N ATOM 632 CA MET A 36 -2.188 -5.983 -3.100 1.00 0.00 C ATOM 633 C MET A 36 -3.384 -6.875 -2.784 1.00 0.00 C ATOM 634 O MET A 36 -3.224 -8.051 -2.458 1.00 0.00 O ATOM 635 CB MET A 36 -2.000 -4.949 -1.989 1.00 0.00 C ATOM 636 CG MET A 36 -0.552 -4.539 -1.778 1.00 0.00 C ATOM 637 SD MET A 36 -0.343 -3.416 -0.383 1.00 0.00 S ATOM 638 CE MET A 36 -0.420 -4.563 0.990 1.00 0.00 C ATOM 0 H MET A 36 -2.378 -4.299 -4.337 1.00 0.00 H new ATOM 0 HA MET A 36 -1.297 -6.608 -3.159 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.589 -4.063 -2.225 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.394 -5.354 -1.057 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.054 -5.430 -1.615 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.178 -4.061 -2.683 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.092 -4.172 1.754 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.791 -5.526 0.639 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.576 -4.691 1.414 1.00 0.00 H new ATOM 648 N ASN A 37 -4.582 -6.308 -2.883 1.00 0.00 N ATOM 649 CA ASN A 37 -5.805 -7.053 -2.606 1.00 0.00 C ATOM 650 C ASN A 37 -5.868 -8.326 -3.445 1.00 0.00 C ATOM 651 O ASN A 37 -6.160 -9.406 -2.932 1.00 0.00 O ATOM 652 CB ASN A 37 -7.031 -6.182 -2.887 1.00 0.00 C ATOM 653 CG ASN A 37 -7.501 -5.431 -1.656 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.308 -5.883 -0.528 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.122 -4.276 -1.869 1.00 0.00 N ATOM 0 H ASN A 37 -4.732 -5.336 -3.153 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.800 -7.333 -1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.793 -5.468 -3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.842 -6.809 -3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.460 -3.726 -1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.260 -3.939 -2.822 1.00 0.00 H new ATOM 662 N LYS A 38 -5.593 -8.190 -4.738 1.00 0.00 N ATOM 663 CA LYS A 38 -5.617 -9.328 -5.649 1.00 0.00 C ATOM 664 C LYS A 38 -4.761 -10.472 -5.113 1.00 0.00 C ATOM 665 O LYS A 38 -5.137 -11.640 -5.210 1.00 0.00 O ATOM 666 CB LYS A 38 -5.118 -8.909 -7.034 1.00 0.00 C ATOM 667 CG LYS A 38 -5.966 -7.831 -7.685 1.00 0.00 C ATOM 668 CD LYS A 38 -5.315 -7.297 -8.950 1.00 0.00 C ATOM 669 CE LYS A 38 -5.605 -8.190 -10.146 1.00 0.00 C ATOM 670 NZ LYS A 38 -7.017 -8.063 -10.603 1.00 0.00 N ATOM 0 H LYS A 38 -5.351 -7.302 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.647 -9.675 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.092 -8.550 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.096 -9.784 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.950 -8.235 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.120 -7.013 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.679 -6.289 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.238 -7.223 -8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.934 -7.930 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.400 -9.228 -9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.113 -8.477 -11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.643 -8.565 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.282 -7.058 -10.635 1.00 0.00 H new ATOM 684 N TYR A 39 -3.609 -10.128 -4.547 1.00 0.00 N ATOM 685 CA TYR A 39 -2.700 -11.126 -3.997 1.00 0.00 C ATOM 686 C TYR A 39 -3.339 -11.854 -2.818 1.00 0.00 C ATOM 687 O TYR A 39 -3.281 -13.081 -2.725 1.00 0.00 O ATOM 688 CB TYR A 39 -1.392 -10.466 -3.555 1.00 0.00 C ATOM 689 CG TYR A 39 -0.362 -11.448 -3.043 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.501 -12.045 -1.797 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.751 -11.778 -3.807 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.438 -12.941 -1.325 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.694 -12.675 -3.344 1.00 0.00 C ATOM 694 CZ TYR A 39 1.534 -13.253 -2.102 1.00 0.00 C ATOM 695 OH TYR A 39 2.471 -14.146 -1.636 1.00 0.00 O ATOM 0 H TYR A 39 -3.283 -9.166 -4.457 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.486 -11.855 -4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.970 -9.915 -4.396 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.608 -9.738 -2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.359 -11.804 -1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.881 -11.326 -4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.315 -13.395 -0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.552 -12.922 -3.951 1.00 0.00 H new ATOM 0 HH TYR A 39 3.179 -14.256 -2.305 1.00 0.00 H new ATOM 705 N LEU A 40 -3.948 -11.089 -1.919 1.00 0.00 N ATOM 706 CA LEU A 40 -4.600 -11.659 -0.745 1.00 0.00 C ATOM 707 C LEU A 40 -5.833 -12.463 -1.143 1.00 0.00 C ATOM 708 O LEU A 40 -6.166 -13.464 -0.508 1.00 0.00 O ATOM 709 CB LEU A 40 -4.994 -10.551 0.233 1.00 0.00 C ATOM 710 CG LEU A 40 -4.109 -9.303 0.225 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.435 -8.410 1.412 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.638 -9.692 0.236 1.00 0.00 C ATOM 0 H LEU A 40 -4.004 -10.072 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.893 -12.330 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.018 -10.248 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.993 -10.966 1.241 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.310 -8.745 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.796 -7.527 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.480 -8.103 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.264 -8.959 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.024 -8.792 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.422 -10.273 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.413 -10.290 -0.647 1.00 0.00 H new ATOM 724 N TYR A 41 -6.507 -12.019 -2.199 1.00 0.00 N ATOM 725 CA TYR A 41 -7.703 -12.697 -2.682 1.00 0.00 C ATOM 726 C TYR A 41 -7.337 -13.927 -3.507 1.00 0.00 C ATOM 727 O TYR A 41 -8.196 -14.746 -3.837 1.00 0.00 O ATOM 728 CB TYR A 41 -8.553 -11.741 -3.521 1.00 0.00 C ATOM 729 CG TYR A 41 -10.037 -12.019 -3.439 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.604 -13.083 -4.130 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.872 -11.218 -2.670 1.00 0.00 C ATOM 732 CE1 TYR A 41 -11.959 -13.340 -4.059 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.228 -11.469 -2.592 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.767 -12.530 -3.289 1.00 0.00 C ATOM 735 OH TYR A 41 -14.118 -12.784 -3.214 1.00 0.00 O ATOM 0 H TYR A 41 -6.245 -11.193 -2.736 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.280 -13.021 -1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.365 -10.718 -3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.237 -11.806 -4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.974 -13.720 -4.733 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.454 -10.385 -2.124 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.383 -14.171 -4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.863 -10.838 -1.988 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.543 -12.122 -2.630 1.00 0.00 H new ATOM 745 N SER A 42 -6.055 -14.050 -3.837 1.00 0.00 N ATOM 746 CA SER A 42 -5.574 -15.178 -4.626 1.00 0.00 C ATOM 747 C SER A 42 -5.058 -16.293 -3.722 1.00 0.00 C ATOM 748 O SER A 42 -5.110 -17.471 -4.077 1.00 0.00 O ATOM 749 CB SER A 42 -4.467 -14.725 -5.579 1.00 0.00 C ATOM 750 OG SER A 42 -3.839 -15.836 -6.197 1.00 0.00 O ATOM 0 H SER A 42 -5.331 -13.383 -3.570 1.00 0.00 H new ATOM 0 HA SER A 42 -6.410 -15.565 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.886 -14.069 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.726 -14.143 -5.030 1.00 0.00 H new ATOM 0 HG SER A 42 -3.136 -15.520 -6.802 1.00 0.00 H new ATOM 756 N VAL A 43 -4.559 -15.913 -2.550 1.00 0.00 N ATOM 757 CA VAL A 43 -4.034 -16.879 -1.593 1.00 0.00 C ATOM 758 C VAL A 43 -5.153 -17.485 -0.753 1.00 0.00 C ATOM 759 O VAL A 43 -6.155 -16.829 -0.467 1.00 0.00 O ATOM 760 CB VAL A 43 -2.996 -16.233 -0.655 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.625 -15.095 0.134 1.00 0.00 C ATOM 762 CG2 VAL A 43 -2.401 -17.276 0.279 1.00 0.00 C ATOM 0 H VAL A 43 -4.507 -14.942 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.550 -17.666 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.190 -15.820 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.877 -14.651 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.999 -14.337 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.451 -15.480 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.670 -16.803 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.194 -17.720 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.912 -18.054 -0.308 1.00 0.00 H new ATOM 772 N LYS A 44 -4.976 -18.742 -0.361 1.00 0.00 N ATOM 773 CA LYS A 44 -5.970 -19.439 0.448 1.00 0.00 C ATOM 774 C LYS A 44 -5.647 -19.312 1.933 1.00 0.00 C ATOM 775 O LYS A 44 -6.544 -19.151 2.761 1.00 0.00 O ATOM 776 CB LYS A 44 -6.034 -20.916 0.053 1.00 0.00 C ATOM 777 CG LYS A 44 -6.760 -21.164 -1.258 1.00 0.00 C ATOM 778 CD LYS A 44 -7.226 -22.605 -1.373 1.00 0.00 C ATOM 779 CE LYS A 44 -8.040 -22.829 -2.638 1.00 0.00 C ATOM 780 NZ LYS A 44 -7.993 -24.248 -3.085 1.00 0.00 N ATOM 0 H LYS A 44 -4.153 -19.300 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.941 -18.978 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.020 -21.307 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.532 -21.474 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.618 -20.496 -1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.099 -20.927 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.362 -23.269 -1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.827 -22.865 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.075 -22.539 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.661 -22.186 -3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.560 -24.359 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.008 -24.518 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.378 -24.860 -2.338 1.00 0.00 H new ATOM 794 N ASP A 45 -4.363 -19.385 2.264 1.00 0.00 N ATOM 795 CA ASP A 45 -3.922 -19.276 3.650 1.00 0.00 C ATOM 796 C ASP A 45 -4.469 -18.006 4.295 1.00 0.00 C ATOM 797 O ASP A 45 -3.878 -16.932 4.178 1.00 0.00 O ATOM 798 CB ASP A 45 -2.395 -19.283 3.724 1.00 0.00 C ATOM 799 CG ASP A 45 -1.779 -20.371 2.866 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.056 -21.560 3.127 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.019 -20.034 1.934 1.00 0.00 O ATOM 0 H ASP A 45 -3.608 -19.519 1.591 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.308 -20.136 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.014 -18.313 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.085 -19.422 4.760 1.00 0.00 H new ATOM 806 N THR A 46 -5.603 -18.136 4.978 1.00 0.00 N ATOM 807 CA THR A 46 -6.230 -17.000 5.640 1.00 0.00 C ATOM 808 C THR A 46 -5.244 -16.282 6.554 1.00 0.00 C ATOM 809 O THR A 46 -5.305 -15.063 6.715 1.00 0.00 O ATOM 810 CB THR A 46 -7.454 -17.437 6.466 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.129 -18.590 7.250 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.635 -17.750 5.560 1.00 0.00 C ATOM 0 H THR A 46 -6.105 -19.017 5.086 1.00 0.00 H new ATOM 0 HA THR A 46 -6.555 -16.317 4.855 1.00 0.00 H new ATOM 0 HB THR A 46 -7.731 -16.615 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.912 -18.861 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.487 -18.056 6.166 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.899 -16.862 4.986 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.366 -18.557 4.878 1.00 0.00 H new ATOM 820 N HIS A 47 -4.334 -17.046 7.151 1.00 0.00 N ATOM 821 CA HIS A 47 -3.333 -16.482 8.050 1.00 0.00 C ATOM 822 C HIS A 47 -2.341 -15.614 7.281 1.00 0.00 C ATOM 823 O HIS A 47 -1.861 -14.602 7.792 1.00 0.00 O ATOM 824 CB HIS A 47 -2.589 -17.599 8.783 1.00 0.00 C ATOM 825 CG HIS A 47 -3.239 -18.006 10.070 1.00 0.00 C ATOM 826 ND1 HIS A 47 -2.600 -18.765 11.028 1.00 0.00 N ATOM 827 CD2 HIS A 47 -4.477 -17.754 10.556 1.00 0.00 C ATOM 828 CE1 HIS A 47 -3.418 -18.963 12.046 1.00 0.00 C ATOM 829 NE2 HIS A 47 -4.563 -18.360 11.785 1.00 0.00 N ATOM 0 H HIS A 47 -4.269 -18.057 7.028 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.847 -15.857 8.781 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.520 -18.468 8.129 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.569 -17.272 8.988 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.253 -17.183 10.068 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.189 -19.523 12.940 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.379 -18.346 12.397 1.00 0.00 H new ATOM 838 N LEU A 48 -2.039 -16.017 6.052 1.00 0.00 N ATOM 839 CA LEU A 48 -1.104 -15.275 5.213 1.00 0.00 C ATOM 840 C LEU A 48 -1.708 -13.949 4.763 1.00 0.00 C ATOM 841 O LEU A 48 -1.105 -12.890 4.937 1.00 0.00 O ATOM 842 CB LEU A 48 -0.712 -16.110 3.992 1.00 0.00 C ATOM 843 CG LEU A 48 0.504 -15.619 3.206 1.00 0.00 C ATOM 844 CD1 LEU A 48 1.018 -16.711 2.280 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.158 -14.366 2.415 1.00 0.00 C ATOM 0 H LEU A 48 -2.427 -16.853 5.614 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.213 -15.064 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.519 -17.131 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.565 -16.150 3.315 1.00 0.00 H new ATOM 0 HG LEU A 48 1.294 -15.370 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.884 -16.343 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.306 -17.582 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.233 -16.992 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.035 -14.031 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.648 -14.588 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.161 -13.580 3.100 1.00 0.00 H new ATOM 857 N ARG A 49 -2.904 -14.015 4.187 1.00 0.00 N ATOM 858 CA ARG A 49 -3.591 -12.819 3.713 1.00 0.00 C ATOM 859 C ARG A 49 -4.024 -11.942 4.884 1.00 0.00 C ATOM 860 O ARG A 49 -4.090 -10.719 4.764 1.00 0.00 O ATOM 861 CB ARG A 49 -4.809 -13.204 2.872 1.00 0.00 C ATOM 862 CG ARG A 49 -5.477 -14.494 3.322 1.00 0.00 C ATOM 863 CD ARG A 49 -6.936 -14.543 2.897 1.00 0.00 C ATOM 864 NE ARG A 49 -7.813 -13.906 3.876 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.133 -14.062 3.891 1.00 0.00 C ATOM 866 NH1 ARG A 49 -9.724 -14.829 2.986 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.863 -13.449 4.814 1.00 0.00 N ATOM 0 H ARG A 49 -3.417 -14.884 4.037 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.896 -12.252 3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.538 -12.394 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.503 -13.307 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.945 -15.347 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.410 -14.581 4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.049 -14.048 1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.239 -15.581 2.760 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.390 -13.309 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.166 -15.302 2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.737 -14.947 3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.411 -12.858 5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.876 -13.569 4.826 1.00 0.00 H new ATOM 881 N GLN A 50 -4.319 -12.576 6.015 1.00 0.00 N ATOM 882 CA GLN A 50 -4.747 -11.853 7.206 1.00 0.00 C ATOM 883 C GLN A 50 -3.685 -10.849 7.645 1.00 0.00 C ATOM 884 O GLN A 50 -4.004 -9.745 8.087 1.00 0.00 O ATOM 885 CB GLN A 50 -5.041 -12.831 8.344 1.00 0.00 C ATOM 886 CG GLN A 50 -6.473 -13.344 8.351 1.00 0.00 C ATOM 887 CD GLN A 50 -7.406 -12.457 9.151 1.00 0.00 C ATOM 888 OE1 GLN A 50 -7.220 -11.242 9.220 1.00 0.00 O ATOM 889 NE2 GLN A 50 -8.419 -13.061 9.761 1.00 0.00 N ATOM 0 H GLN A 50 -4.269 -13.588 6.131 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.658 -11.307 6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.360 -13.679 8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.835 -12.341 9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.835 -13.414 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.492 -14.352 8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.536 -14.071 9.677 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.080 -12.515 10.313 1.00 0.00 H new ATOM 898 N LYS A 51 -2.421 -11.240 7.520 1.00 0.00 N ATOM 899 CA LYS A 51 -1.311 -10.375 7.902 1.00 0.00 C ATOM 900 C LYS A 51 -1.214 -9.171 6.971 1.00 0.00 C ATOM 901 O LYS A 51 -1.136 -8.029 7.424 1.00 0.00 O ATOM 902 CB LYS A 51 0.003 -11.158 7.880 1.00 0.00 C ATOM 903 CG LYS A 51 1.207 -10.339 8.311 1.00 0.00 C ATOM 904 CD LYS A 51 1.274 -10.200 9.823 1.00 0.00 C ATOM 905 CE LYS A 51 2.145 -9.024 10.237 1.00 0.00 C ATOM 906 NZ LYS A 51 3.591 -9.378 10.240 1.00 0.00 N ATOM 0 H LYS A 51 -2.140 -12.151 7.157 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.495 -10.015 8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.089 -12.025 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.174 -11.537 6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.119 -10.812 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.157 -9.350 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.268 -10.067 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.671 -11.118 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.977 -8.190 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.852 -8.687 11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.151 -8.550 10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.756 -10.157 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.878 -9.675 9.285 1.00 0.00 H new ATOM 920 N TRP A 52 -1.220 -9.434 5.669 1.00 0.00 N ATOM 921 CA TRP A 52 -1.134 -8.371 4.674 1.00 0.00 C ATOM 922 C TRP A 52 -2.350 -7.454 4.750 1.00 0.00 C ATOM 923 O TRP A 52 -2.246 -6.250 4.519 1.00 0.00 O ATOM 924 CB TRP A 52 -1.016 -8.966 3.270 1.00 0.00 C ATOM 925 CG TRP A 52 0.322 -9.583 2.998 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.568 -10.869 2.610 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.598 -8.941 3.095 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.920 -11.065 2.460 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.574 -9.897 2.751 1.00 0.00 C ATOM 930 CE3 TRP A 52 2.012 -7.650 3.437 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.934 -9.602 2.741 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.362 -7.359 3.428 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.311 -8.331 3.081 1.00 0.00 C ATOM 0 H TRP A 52 -1.283 -10.374 5.278 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.243 -7.780 4.887 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.790 -9.721 3.137 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.204 -8.184 2.535 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.189 -11.622 2.445 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.364 -11.939 2.178 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.289 -6.894 3.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.666 -10.350 2.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.692 -6.365 3.693 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.359 -8.072 3.082 1.00 0.00 H new ATOM 944 N GLN A 53 -3.502 -8.032 5.076 1.00 0.00 N ATOM 945 CA GLN A 53 -4.738 -7.266 5.181 1.00 0.00 C ATOM 946 C GLN A 53 -4.581 -6.112 6.167 1.00 0.00 C ATOM 947 O GLN A 53 -4.926 -4.971 5.861 1.00 0.00 O ATOM 948 CB GLN A 53 -5.890 -8.172 5.619 1.00 0.00 C ATOM 949 CG GLN A 53 -7.196 -7.429 5.849 1.00 0.00 C ATOM 950 CD GLN A 53 -8.270 -8.311 6.453 1.00 0.00 C ATOM 951 OE1 GLN A 53 -8.070 -9.510 6.646 1.00 0.00 O ATOM 952 NE2 GLN A 53 -9.420 -7.720 6.757 1.00 0.00 N ATOM 0 H GLN A 53 -3.605 -9.028 5.272 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.964 -6.853 4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.047 -8.939 4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.608 -8.686 6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.015 -6.580 6.508 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.552 -7.026 4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.543 -6.723 6.580 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.180 -8.263 7.167 1.00 0.00 H new ATOM 961 N GLN A 54 -4.058 -6.418 7.350 1.00 0.00 N ATOM 962 CA GLN A 54 -3.856 -5.407 8.380 1.00 0.00 C ATOM 963 C GLN A 54 -2.913 -4.313 7.892 1.00 0.00 C ATOM 964 O GLN A 54 -3.095 -3.136 8.204 1.00 0.00 O ATOM 965 CB GLN A 54 -3.298 -6.048 9.652 1.00 0.00 C ATOM 966 CG GLN A 54 -1.779 -6.093 9.694 1.00 0.00 C ATOM 967 CD GLN A 54 -1.172 -4.820 10.248 1.00 0.00 C ATOM 968 OE1 GLN A 54 -1.775 -3.749 10.177 1.00 0.00 O ATOM 969 NE2 GLN A 54 0.029 -4.929 10.805 1.00 0.00 N ATOM 0 H GLN A 54 -3.767 -7.358 7.618 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.822 -4.955 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.661 -5.494 10.518 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.686 -7.063 9.738 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.461 -6.938 10.305 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.397 -6.265 8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.493 -5.836 10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.487 -4.105 11.195 1.00 0.00 H new ATOM 978 N VAL A 55 -1.903 -4.708 7.123 1.00 0.00 N ATOM 979 CA VAL A 55 -0.931 -3.761 6.590 1.00 0.00 C ATOM 980 C VAL A 55 -1.547 -2.899 5.494 1.00 0.00 C ATOM 981 O VAL A 55 -1.214 -1.722 5.356 1.00 0.00 O ATOM 982 CB VAL A 55 0.306 -4.485 6.025 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.230 -3.498 5.329 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.040 -5.227 7.131 1.00 0.00 C ATOM 0 H VAL A 55 -1.737 -5.678 6.855 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.623 -3.124 7.419 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.027 -5.216 5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.098 -4.027 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.697 -3.017 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.558 -2.742 6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.911 -5.733 6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.363 -4.518 7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.373 -5.963 7.580 1.00 0.00 H new ATOM 994 N TRP A 56 -2.446 -3.493 4.718 1.00 0.00 N ATOM 995 CA TRP A 56 -3.110 -2.779 3.633 1.00 0.00 C ATOM 996 C TRP A 56 -3.762 -1.498 4.143 1.00 0.00 C ATOM 997 O TRP A 56 -3.854 -0.508 3.418 1.00 0.00 O ATOM 998 CB TRP A 56 -4.161 -3.673 2.975 1.00 0.00 C ATOM 999 CG TRP A 56 -4.849 -3.024 1.811 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.517 -3.146 0.492 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.982 -2.151 1.864 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.377 -2.402 -0.279 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.285 -1.783 0.538 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.772 -1.647 2.900 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.343 -0.933 0.226 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.821 -0.804 2.589 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -8.099 -0.454 1.261 1.00 0.00 C ATOM 0 H TRP A 56 -2.732 -4.467 4.820 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.356 -2.511 2.893 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.685 -4.594 2.639 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.907 -3.953 3.719 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.699 -3.740 0.111 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.344 -2.323 -1.295 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.566 -1.912 3.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.559 -0.661 -0.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.437 -0.408 3.383 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.927 0.207 1.050 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.211 -1.525 5.394 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.854 -0.365 5.999 1.00 0.00 C ATOM 1020 C GLN A 57 -3.865 0.785 6.158 1.00 0.00 C ATOM 1021 O GLN A 57 -4.228 1.952 6.012 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.446 -0.736 7.360 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.536 -1.792 7.282 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.866 -1.226 6.824 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.935 -0.104 6.322 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -8.930 -2.000 6.996 1.00 0.00 N ATOM 0 H GLN A 57 -4.141 -2.337 6.008 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.657 -0.040 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.647 -1.097 8.008 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.853 0.161 7.826 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.225 -2.580 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.660 -2.254 8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.826 -2.923 7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.852 -1.671 6.708 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.615 0.447 6.457 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.574 1.452 6.636 1.00 0.00 C ATOM 1037 C GLU A 58 -1.164 2.056 5.296 1.00 0.00 C ATOM 1038 O GLU A 58 -0.785 3.225 5.220 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.354 0.838 7.326 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.668 0.211 8.674 1.00 0.00 C ATOM 1041 CD GLU A 58 -1.254 1.205 9.657 1.00 0.00 C ATOM 1042 OE1 GLU A 58 -2.478 1.448 9.598 1.00 0.00 O ATOM 1043 OE2 GLU A 58 -0.489 1.740 10.486 1.00 0.00 O ATOM 0 H GLU A 58 -2.299 -0.515 6.580 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.976 2.246 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.078 0.079 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.403 1.610 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.369 -0.612 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.243 -0.215 9.094 1.00 0.00 H new ATOM 1050 N ILE A 59 -1.243 1.251 4.242 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.881 1.705 2.905 1.00 0.00 C ATOM 1052 C ILE A 59 -1.893 2.716 2.375 1.00 0.00 C ATOM 1053 O ILE A 59 -1.522 3.744 1.812 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.783 0.528 1.918 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.076 -0.592 2.509 1.00 0.00 C ATOM 1056 CG2 ILE A 59 -0.211 0.997 0.589 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.553 -0.265 2.544 1.00 0.00 C ATOM 0 H ILE A 59 -1.555 0.281 4.288 1.00 0.00 H new ATOM 0 HA ILE A 59 0.096 2.181 2.987 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.785 0.137 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.265 -0.805 3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.073 -1.500 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.148 0.153 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.859 1.763 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.785 1.411 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.101 -1.103 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.909 -0.081 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.714 0.625 3.152 1.00 0.00 H new ATOM 1069 N ASN A 60 -3.175 2.415 2.562 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.241 3.298 2.103 1.00 0.00 C ATOM 1071 C ASN A 60 -4.239 4.606 2.887 1.00 0.00 C ATOM 1072 O ASN A 60 -4.126 5.688 2.310 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.599 2.607 2.246 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.732 3.596 2.446 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.957 4.476 1.615 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -7.452 3.454 3.553 1.00 0.00 N ATOM 0 H ASN A 60 -3.500 1.568 3.028 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.064 3.525 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.795 2.009 1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.567 1.920 3.091 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.227 4.089 3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.229 2.710 4.214 1.00 0.00 H new ATOM 1083 N VAL A 61 -4.363 4.500 4.207 1.00 0.00 N ATOM 1084 CA VAL A 61 -4.373 5.674 5.071 1.00 0.00 C ATOM 1085 C VAL A 61 -3.163 6.563 4.805 1.00 0.00 C ATOM 1086 O VAL A 61 -3.266 7.789 4.817 1.00 0.00 O ATOM 1087 CB VAL A 61 -4.387 5.276 6.558 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.981 4.947 7.037 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.999 6.386 7.400 1.00 0.00 C ATOM 0 H VAL A 61 -4.458 3.613 4.701 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.284 6.227 4.842 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.002 4.383 6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.011 4.668 8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.583 4.117 6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.340 5.820 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.001 6.088 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.412 7.297 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.022 6.569 7.073 1.00 0.00 H new ATOM 1099 N GLU A 62 -2.016 5.935 4.565 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.785 6.669 4.297 1.00 0.00 C ATOM 1101 C GLU A 62 -0.944 7.570 3.075 1.00 0.00 C ATOM 1102 O GLU A 62 -0.599 8.750 3.112 1.00 0.00 O ATOM 1103 CB GLU A 62 0.378 5.698 4.081 1.00 0.00 C ATOM 1104 CG GLU A 62 1.658 6.375 3.619 1.00 0.00 C ATOM 1105 CD GLU A 62 2.251 7.285 4.677 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.492 6.806 5.805 1.00 0.00 O ATOM 1107 OE2 GLU A 62 2.473 8.476 4.377 1.00 0.00 O ATOM 0 H GLU A 62 -1.914 4.920 4.551 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.570 7.295 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.574 5.166 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.085 4.951 3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.390 5.614 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.453 6.955 2.719 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.469 7.002 1.994 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.675 7.753 0.762 1.00 0.00 C ATOM 1116 C ALA A 63 -2.515 9.001 1.013 1.00 0.00 C ATOM 1117 O ALA A 63 -2.351 10.019 0.340 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.337 6.872 -0.288 1.00 0.00 C ATOM 0 H ALA A 63 -1.759 6.025 1.947 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.700 8.071 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.485 7.445 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.699 6.013 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.302 6.526 0.083 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.416 8.916 1.986 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.282 10.038 2.327 1.00 0.00 C ATOM 1126 C LYS A 64 -3.470 11.199 2.892 1.00 0.00 C ATOM 1127 O LYS A 64 -3.675 12.352 2.514 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.341 9.601 3.342 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.685 10.283 3.150 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.361 10.567 4.481 1.00 0.00 C ATOM 1131 CE LYS A 64 -8.039 9.324 5.038 1.00 0.00 C ATOM 1132 NZ LYS A 64 -9.454 9.215 4.586 1.00 0.00 N ATOM 0 H LYS A 64 -3.565 8.081 2.553 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.777 10.373 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.477 8.522 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.977 9.811 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.546 11.217 2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.331 9.651 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.622 10.931 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.099 11.359 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.488 8.438 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.007 9.350 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.881 8.356 4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.986 10.048 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.484 9.165 3.548 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.549 10.886 3.798 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.707 11.905 4.413 1.00 0.00 C ATOM 1148 C GLN A 65 -0.978 12.723 3.352 1.00 0.00 C ATOM 1149 O GLN A 65 -0.986 13.954 3.388 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.694 11.256 5.358 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.319 10.678 6.617 1.00 0.00 C ATOM 1152 CD GLN A 65 -1.644 11.740 7.648 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -0.756 12.253 8.329 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -2.923 12.077 7.769 1.00 0.00 N ATOM 0 H GLN A 65 -2.367 9.936 4.122 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.350 12.575 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.170 10.462 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.053 11.998 5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.231 10.143 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.637 9.949 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.627 11.626 7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.202 12.787 8.447 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.349 12.032 2.407 1.00 0.00 N ATOM 1164 CA VAL A 66 0.384 12.694 1.335 1.00 0.00 C ATOM 1165 C VAL A 66 -0.460 13.784 0.684 1.00 0.00 C ATOM 1166 O VAL A 66 0.057 14.824 0.274 1.00 0.00 O ATOM 1167 CB VAL A 66 0.827 11.690 0.254 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.388 12.421 -0.956 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.849 10.715 0.820 1.00 0.00 C ATOM 0 H VAL A 66 -0.332 11.013 2.362 1.00 0.00 H new ATOM 0 HA VAL A 66 1.268 13.144 1.787 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.045 11.121 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.696 11.695 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.622 13.075 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.249 13.018 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.151 10.013 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.722 11.266 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.407 10.167 1.652 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.763 13.541 0.593 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.682 14.502 -0.005 1.00 0.00 C ATOM 1181 C LYS A 67 -2.701 15.804 0.789 1.00 0.00 C ATOM 1182 O LYS A 67 -2.873 16.884 0.224 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.093 13.915 -0.075 1.00 0.00 C ATOM 1184 CG LYS A 67 -4.992 14.610 -1.083 1.00 0.00 C ATOM 1185 CD LYS A 67 -4.643 14.215 -2.508 1.00 0.00 C ATOM 1186 CE LYS A 67 -5.431 12.993 -2.956 1.00 0.00 C ATOM 1187 NZ LYS A 67 -6.856 13.323 -3.234 1.00 0.00 N ATOM 0 H LYS A 67 -2.207 12.685 0.926 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.334 14.718 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.025 12.857 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.552 13.976 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.032 14.357 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.899 15.690 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.850 15.049 -3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.575 14.007 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.974 12.575 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.380 12.225 -2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.299 12.539 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.360 13.470 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.906 14.191 -3.805 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.520 15.695 2.100 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.514 16.864 2.971 1.00 0.00 C ATOM 1203 C ASP A 68 -1.208 17.639 2.831 1.00 0.00 C ATOM 1204 O ASP A 68 -1.211 18.823 2.490 1.00 0.00 O ATOM 1205 CB ASP A 68 -2.717 16.443 4.428 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.138 17.600 5.312 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -2.701 18.740 5.045 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -3.904 17.367 6.270 1.00 0.00 O ATOM 0 H ASP A 68 -2.375 14.808 2.583 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.336 17.514 2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.474 15.660 4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.791 16.015 4.812 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.094 16.965 3.096 1.00 0.00 N ATOM 1214 CA ILE A 69 1.219 17.591 2.999 1.00 0.00 C ATOM 1215 C ILE A 69 1.408 18.265 1.644 1.00 0.00 C ATOM 1216 O ILE A 69 1.962 19.360 1.557 1.00 0.00 O ATOM 1217 CB ILE A 69 2.348 16.566 3.212 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.658 15.837 1.902 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.965 15.574 4.299 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.750 14.799 2.032 1.00 0.00 C ATOM 0 H ILE A 69 -0.074 15.985 3.380 1.00 0.00 H new ATOM 0 HA ILE A 69 1.269 18.343 3.786 1.00 0.00 H new ATOM 0 HB ILE A 69 3.245 17.096 3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.750 15.354 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.951 16.569 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.773 14.856 4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.789 16.108 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.057 15.046 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.916 14.323 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.671 15.279 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.451 14.046 2.761 1.00 0.00 H new ATOM 1232 N MET A 70 0.941 17.604 0.590 1.00 0.00 N ATOM 1233 CA MET A 70 1.056 18.141 -0.761 1.00 0.00 C ATOM 1234 C MET A 70 0.131 19.340 -0.949 1.00 0.00 C ATOM 1235 O MET A 70 0.341 20.165 -1.838 1.00 0.00 O ATOM 1236 CB MET A 70 0.726 17.061 -1.792 1.00 0.00 C ATOM 1237 CG MET A 70 -0.746 17.009 -2.169 1.00 0.00 C ATOM 1238 SD MET A 70 -1.157 18.129 -3.520 1.00 0.00 S ATOM 1239 CE MET A 70 -2.115 17.047 -4.578 1.00 0.00 C ATOM 0 H MET A 70 0.480 16.696 0.645 1.00 0.00 H new ATOM 0 HA MET A 70 2.084 18.471 -0.908 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.317 17.236 -2.691 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.026 16.090 -1.398 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.008 15.990 -2.454 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.349 17.261 -1.297 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.442 17.597 -5.460 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.500 16.201 -4.885 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.986 16.684 -4.033 1.00 0.00 H new ATOM 1249 N LYS A 71 -0.893 19.429 -0.108 1.00 0.00 N ATOM 1250 CA LYS A 71 -1.850 20.527 -0.181 1.00 0.00 C ATOM 1251 C LYS A 71 -1.346 21.741 0.594 1.00 0.00 C ATOM 1252 O LYS A 71 -1.000 21.639 1.771 1.00 0.00 O ATOM 1253 CB LYS A 71 -3.208 20.085 0.371 1.00 0.00 C ATOM 1254 CG LYS A 71 -4.304 21.120 0.190 1.00 0.00 C ATOM 1255 CD LYS A 71 -4.609 21.359 -1.279 1.00 0.00 C ATOM 1256 CE LYS A 71 -5.938 22.076 -1.464 1.00 0.00 C ATOM 1257 NZ LYS A 71 -6.307 22.199 -2.901 1.00 0.00 N ATOM 0 H LYS A 71 -1.082 18.754 0.633 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.964 20.807 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.508 19.160 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.104 19.860 1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.208 20.787 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.001 22.057 0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.810 21.951 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.633 20.405 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.720 21.533 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.880 23.069 -1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.218 22.693 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.573 22.739 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.387 21.251 -3.321 1.00 0.00 H new ATOM 1271 N THR A 72 -1.309 22.889 -0.074 1.00 0.00 N ATOM 1272 CA THR A 72 -0.847 24.122 0.552 1.00 0.00 C ATOM 1273 C THR A 72 -1.516 24.336 1.905 1.00 0.00 C ATOM 1274 O THR A 72 -0.849 24.383 2.938 1.00 0.00 O ATOM 1275 CB THR A 72 -1.125 25.345 -0.344 1.00 0.00 C ATOM 1276 OG1 THR A 72 -0.383 26.475 0.127 1.00 0.00 O ATOM 1277 CG2 THR A 72 -2.609 25.677 -0.361 1.00 0.00 C ATOM 0 H THR A 72 -1.593 22.991 -1.048 1.00 0.00 H new ATOM 0 HA THR A 72 0.229 24.021 0.694 1.00 0.00 H new ATOM 0 HB THR A 72 -0.812 25.103 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.563 27.248 -0.448 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.781 26.543 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.168 24.825 -0.747 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.943 25.901 0.652 1.00 0.00 H new TER 1285 THR A 72