USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 937 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= -0.013 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.000598 X(o=-0.0006,f=-0.0045) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 22:sc= 0.0814 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 18 GLN : amide:sc= -0.055 K(o=-0.055,f=-0.99) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0788 X(o=-0.079,f=-0.48) USER MOD Single : A 23 SER OG : rot 39:sc= 0.448 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.04 X(o=-1,f=-0.6) USER MOD Single : A 45 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.2) USER MOD Single : A 49 ASN : amide:sc= 1.15 K(o=1.1,f=-0.31) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 11:sc= 1.17 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-1.7) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 72:sc= 0.441 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 88 THR OG1 : rot -62:sc= -0.445 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD Single : A 98 THR OG1 : rot 50:sc= 1.1 USER MOD Single : A 103 SER OG : rot 156:sc= 1.25 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 101.042 4.333 -29.896 1.00 0.00 N ATOM 2 CA GLY A 1 101.375 3.882 -28.517 1.00 0.00 C ATOM 3 C GLY A 1 102.691 3.131 -28.455 1.00 0.00 C ATOM 4 O GLY A 1 102.848 2.087 -29.089 1.00 0.00 O ATOM 0 H1 GLY A 1 100.134 4.841 -29.886 1.00 0.00 H new ATOM 0 H2 GLY A 1 101.789 4.967 -30.244 1.00 0.00 H new ATOM 0 H3 GLY A 1 100.969 3.507 -30.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 101.423 4.748 -27.856 1.00 0.00 H new ATOM 0 HA3 GLY A 1 100.576 3.241 -28.145 1.00 0.00 H new ATOM 10 N HIS A 2 103.638 3.662 -27.688 1.00 0.00 N ATOM 11 CA HIS A 2 104.948 3.035 -27.547 1.00 0.00 C ATOM 12 C HIS A 2 105.029 2.231 -26.254 1.00 0.00 C ATOM 13 O HIS A 2 105.498 2.728 -25.230 1.00 0.00 O ATOM 14 CB HIS A 2 106.051 4.094 -27.570 1.00 0.00 C ATOM 15 CG HIS A 2 107.431 3.519 -27.641 1.00 0.00 C ATOM 16 ND1 HIS A 2 108.477 3.970 -26.864 1.00 0.00 N ATOM 17 CD2 HIS A 2 107.937 2.521 -28.404 1.00 0.00 C ATOM 18 CE1 HIS A 2 109.566 3.277 -27.146 1.00 0.00 C ATOM 19 NE2 HIS A 2 109.265 2.390 -28.076 1.00 0.00 N ATOM 0 H HIS A 2 103.523 4.524 -27.155 1.00 0.00 H new ATOM 0 HA HIS A 2 105.089 2.356 -28.388 1.00 0.00 H new ATOM 0 HB2 HIS A 2 105.895 4.750 -28.426 1.00 0.00 H new ATOM 0 HB3 HIS A 2 105.969 4.712 -26.676 1.00 0.00 H new ATOM 0 HD2 HIS A 2 107.397 1.937 -29.134 1.00 0.00 H new ATOM 0 HE1 HIS A 2 110.537 3.413 -26.693 1.00 0.00 H new ATOM 0 HE2 HIS A 2 109.913 1.717 -28.485 1.00 0.00 H new ATOM 27 N MET A 3 104.568 0.985 -26.306 1.00 0.00 N ATOM 28 CA MET A 3 104.590 0.113 -25.137 1.00 0.00 C ATOM 29 C MET A 3 105.493 -1.093 -25.372 1.00 0.00 C ATOM 30 O MET A 3 105.962 -1.322 -26.487 1.00 0.00 O ATOM 31 CB MET A 3 103.174 -0.356 -24.795 1.00 0.00 C ATOM 32 CG MET A 3 102.419 -0.933 -25.981 1.00 0.00 C ATOM 33 SD MET A 3 101.123 -2.084 -25.485 1.00 0.00 S ATOM 34 CE MET A 3 101.705 -3.597 -26.247 1.00 0.00 C ATOM 0 H MET A 3 104.175 0.557 -27.144 1.00 0.00 H new ATOM 0 HA MET A 3 104.989 0.685 -24.299 1.00 0.00 H new ATOM 0 HB2 MET A 3 103.230 -1.110 -24.010 1.00 0.00 H new ATOM 0 HB3 MET A 3 102.610 0.484 -24.390 1.00 0.00 H new ATOM 0 HG2 MET A 3 101.977 -0.119 -26.556 1.00 0.00 H new ATOM 0 HG3 MET A 3 103.121 -1.444 -26.640 1.00 0.00 H new ATOM 0 HE1 MET A 3 101.007 -4.406 -26.030 1.00 0.00 H new ATOM 0 HE2 MET A 3 101.775 -3.458 -27.326 1.00 0.00 H new ATOM 0 HE3 MET A 3 102.688 -3.850 -25.850 1.00 0.00 H new ATOM 44 N GLY A 4 105.734 -1.860 -24.313 1.00 0.00 N ATOM 45 CA GLY A 4 106.581 -3.032 -24.423 1.00 0.00 C ATOM 46 C GLY A 4 107.772 -2.975 -23.487 1.00 0.00 C ATOM 47 O GLY A 4 108.920 -2.984 -23.930 1.00 0.00 O ATOM 0 H GLY A 4 105.357 -1.690 -23.381 1.00 0.00 H new ATOM 0 HA2 GLY A 4 105.993 -3.923 -24.204 1.00 0.00 H new ATOM 0 HA3 GLY A 4 106.934 -3.127 -25.450 1.00 0.00 H new ATOM 51 N LEU A 5 107.498 -2.915 -22.188 1.00 0.00 N ATOM 52 CA LEU A 5 108.557 -2.856 -21.187 1.00 0.00 C ATOM 53 C LEU A 5 109.418 -4.114 -21.231 1.00 0.00 C ATOM 54 O LEU A 5 108.963 -5.203 -20.881 1.00 0.00 O ATOM 55 CB LEU A 5 107.956 -2.679 -19.790 1.00 0.00 C ATOM 56 CG LEU A 5 107.859 -1.232 -19.304 1.00 0.00 C ATOM 57 CD1 LEU A 5 109.244 -0.622 -19.166 1.00 0.00 C ATOM 58 CD2 LEU A 5 107.004 -0.407 -20.254 1.00 0.00 C ATOM 0 H LEU A 5 106.553 -2.906 -21.804 1.00 0.00 H new ATOM 0 HA LEU A 5 109.191 -1.998 -21.413 1.00 0.00 H new ATOM 0 HB2 LEU A 5 106.957 -3.116 -19.783 1.00 0.00 H new ATOM 0 HB3 LEU A 5 108.557 -3.245 -19.078 1.00 0.00 H new ATOM 0 HG LEU A 5 107.384 -1.229 -18.323 1.00 0.00 H new ATOM 0 HD11 LEU A 5 109.155 0.408 -18.819 1.00 0.00 H new ATOM 0 HD12 LEU A 5 109.825 -1.198 -18.446 1.00 0.00 H new ATOM 0 HD13 LEU A 5 109.746 -0.637 -20.133 1.00 0.00 H new ATOM 0 HD21 LEU A 5 106.946 0.620 -19.893 1.00 0.00 H new ATOM 0 HD22 LEU A 5 107.451 -0.417 -21.248 1.00 0.00 H new ATOM 0 HD23 LEU A 5 106.001 -0.832 -20.303 1.00 0.00 H new ATOM 70 N GLU A 6 110.665 -3.955 -21.663 1.00 0.00 N ATOM 71 CA GLU A 6 111.591 -5.079 -21.757 1.00 0.00 C ATOM 72 C GLU A 6 112.004 -5.568 -20.370 1.00 0.00 C ATOM 73 O GLU A 6 111.887 -6.754 -20.064 1.00 0.00 O ATOM 74 CB GLU A 6 112.830 -4.677 -22.562 1.00 0.00 C ATOM 75 CG GLU A 6 112.841 -5.229 -23.977 1.00 0.00 C ATOM 76 CD GLU A 6 112.559 -4.167 -25.022 1.00 0.00 C ATOM 77 OE1 GLU A 6 111.389 -3.745 -25.138 1.00 0.00 O ATOM 78 OE2 GLU A 6 113.507 -3.756 -25.722 1.00 0.00 O ATOM 0 H GLU A 6 111.058 -3.060 -21.953 1.00 0.00 H new ATOM 0 HA GLU A 6 111.081 -5.895 -22.269 1.00 0.00 H new ATOM 0 HB2 GLU A 6 112.888 -3.589 -22.605 1.00 0.00 H new ATOM 0 HB3 GLU A 6 113.721 -5.024 -22.039 1.00 0.00 H new ATOM 0 HG2 GLU A 6 113.812 -5.682 -24.178 1.00 0.00 H new ATOM 0 HG3 GLU A 6 112.096 -6.021 -24.059 1.00 0.00 H new ATOM 85 N PRO A 7 112.495 -4.656 -19.511 1.00 0.00 N ATOM 86 CA PRO A 7 112.925 -5.004 -18.152 1.00 0.00 C ATOM 87 C PRO A 7 111.877 -5.817 -17.401 1.00 0.00 C ATOM 88 O PRO A 7 112.208 -6.631 -16.539 1.00 0.00 O ATOM 89 CB PRO A 7 113.127 -3.643 -17.486 1.00 0.00 C ATOM 90 CG PRO A 7 113.446 -2.717 -18.609 1.00 0.00 C ATOM 91 CD PRO A 7 112.666 -3.218 -19.793 1.00 0.00 C ATOM 0 HA PRO A 7 113.818 -5.629 -18.154 1.00 0.00 H new ATOM 0 HB2 PRO A 7 112.231 -3.326 -16.953 1.00 0.00 H new ATOM 0 HB3 PRO A 7 113.937 -3.675 -16.757 1.00 0.00 H new ATOM 0 HG2 PRO A 7 113.166 -1.693 -18.362 1.00 0.00 H new ATOM 0 HG3 PRO A 7 114.515 -2.713 -18.820 1.00 0.00 H new ATOM 0 HD2 PRO A 7 111.706 -2.710 -19.885 1.00 0.00 H new ATOM 0 HD3 PRO A 7 113.204 -3.053 -20.727 1.00 0.00 H new ATOM 99 N TYR A 8 110.610 -5.591 -17.734 1.00 0.00 N ATOM 100 CA TYR A 8 109.513 -6.304 -17.093 1.00 0.00 C ATOM 101 C TYR A 8 109.367 -7.709 -17.668 1.00 0.00 C ATOM 102 O TYR A 8 108.936 -8.632 -16.978 1.00 0.00 O ATOM 103 CB TYR A 8 108.205 -5.530 -17.268 1.00 0.00 C ATOM 104 CG TYR A 8 107.919 -4.562 -16.142 1.00 0.00 C ATOM 105 CD1 TYR A 8 107.266 -4.982 -14.990 1.00 0.00 C ATOM 106 CD2 TYR A 8 108.304 -3.231 -16.230 1.00 0.00 C ATOM 107 CE1 TYR A 8 107.003 -4.102 -13.958 1.00 0.00 C ATOM 108 CE2 TYR A 8 108.045 -2.344 -15.202 1.00 0.00 C ATOM 109 CZ TYR A 8 107.396 -2.784 -14.068 1.00 0.00 C ATOM 110 OH TYR A 8 107.137 -1.906 -13.042 1.00 0.00 O ATOM 0 H TYR A 8 110.319 -4.919 -18.444 1.00 0.00 H new ATOM 0 HA TYR A 8 109.739 -6.389 -16.030 1.00 0.00 H new ATOM 0 HB2 TYR A 8 108.241 -4.980 -18.208 1.00 0.00 H new ATOM 0 HB3 TYR A 8 107.381 -6.239 -17.345 1.00 0.00 H new ATOM 0 HD1 TYR A 8 106.959 -6.013 -14.900 1.00 0.00 H new ATOM 0 HD2 TYR A 8 108.814 -2.883 -17.116 1.00 0.00 H new ATOM 0 HE1 TYR A 8 106.492 -4.444 -13.070 1.00 0.00 H new ATOM 0 HE2 TYR A 8 108.350 -1.311 -15.287 1.00 0.00 H new ATOM 0 HH TYR A 8 107.479 -1.018 -13.277 1.00 0.00 H new ATOM 120 N GLU A 9 109.732 -7.863 -18.937 1.00 0.00 N ATOM 121 CA GLU A 9 109.643 -9.154 -19.607 1.00 0.00 C ATOM 122 C GLU A 9 110.724 -10.105 -19.100 1.00 0.00 C ATOM 123 O GLU A 9 110.530 -11.320 -19.073 1.00 0.00 O ATOM 124 CB GLU A 9 109.774 -8.976 -21.121 1.00 0.00 C ATOM 125 CG GLU A 9 109.217 -10.141 -21.921 1.00 0.00 C ATOM 126 CD GLU A 9 107.891 -9.816 -22.581 1.00 0.00 C ATOM 127 OE1 GLU A 9 107.060 -9.138 -21.940 1.00 0.00 O ATOM 128 OE2 GLU A 9 107.684 -10.238 -23.737 1.00 0.00 O ATOM 0 H GLU A 9 110.092 -7.109 -19.522 1.00 0.00 H new ATOM 0 HA GLU A 9 108.668 -9.586 -19.382 1.00 0.00 H new ATOM 0 HB2 GLU A 9 109.257 -8.063 -21.417 1.00 0.00 H new ATOM 0 HB3 GLU A 9 110.826 -8.843 -21.373 1.00 0.00 H new ATOM 0 HG2 GLU A 9 109.938 -10.429 -22.686 1.00 0.00 H new ATOM 0 HG3 GLU A 9 109.090 -11.001 -21.263 1.00 0.00 H new ATOM 135 N ILE A 10 111.860 -9.544 -18.701 1.00 0.00 N ATOM 136 CA ILE A 10 112.970 -10.342 -18.195 1.00 0.00 C ATOM 137 C ILE A 10 112.713 -10.790 -16.760 1.00 0.00 C ATOM 138 O ILE A 10 112.590 -11.983 -16.484 1.00 0.00 O ATOM 139 CB ILE A 10 114.295 -9.558 -18.247 1.00 0.00 C ATOM 140 CG1 ILE A 10 114.465 -8.891 -19.614 1.00 0.00 C ATOM 141 CG2 ILE A 10 115.469 -10.480 -17.953 1.00 0.00 C ATOM 142 CD1 ILE A 10 115.714 -8.043 -19.722 1.00 0.00 C ATOM 0 H ILE A 10 112.036 -8.539 -18.718 1.00 0.00 H new ATOM 0 HA ILE A 10 113.050 -11.218 -18.838 1.00 0.00 H new ATOM 0 HB ILE A 10 114.269 -8.780 -17.484 1.00 0.00 H new ATOM 0 HG12 ILE A 10 114.491 -9.662 -20.384 1.00 0.00 H new ATOM 0 HG13 ILE A 10 113.594 -8.268 -19.816 1.00 0.00 H new ATOM 0 HG21 ILE A 10 116.398 -9.911 -17.994 1.00 0.00 H new ATOM 0 HG22 ILE A 10 115.352 -10.913 -16.960 1.00 0.00 H new ATOM 0 HG23 ILE A 10 115.500 -11.278 -18.695 1.00 0.00 H new ATOM 0 HD11 ILE A 10 115.769 -7.602 -20.717 1.00 0.00 H new ATOM 0 HD12 ILE A 10 115.681 -7.250 -18.975 1.00 0.00 H new ATOM 0 HD13 ILE A 10 116.592 -8.666 -19.552 1.00 0.00 H new ATOM 154 N SER A 11 112.636 -9.825 -15.848 1.00 0.00 N ATOM 155 CA SER A 11 112.392 -10.118 -14.440 1.00 0.00 C ATOM 156 C SER A 11 111.541 -9.029 -13.798 1.00 0.00 C ATOM 157 O SER A 11 111.962 -7.877 -13.694 1.00 0.00 O ATOM 158 CB SER A 11 113.718 -10.255 -13.690 1.00 0.00 C ATOM 159 OG SER A 11 114.269 -11.550 -13.855 1.00 0.00 O ATOM 0 H SER A 11 112.739 -8.833 -16.060 1.00 0.00 H new ATOM 0 HA SER A 11 111.849 -11.061 -14.379 1.00 0.00 H new ATOM 0 HB2 SER A 11 114.423 -9.508 -14.054 1.00 0.00 H new ATOM 0 HB3 SER A 11 113.561 -10.056 -12.630 1.00 0.00 H new ATOM 0 HG SER A 11 113.897 -11.964 -14.662 1.00 0.00 H new ATOM 165 N THR A 12 110.339 -9.400 -13.367 1.00 0.00 N ATOM 166 CA THR A 12 109.427 -8.454 -12.734 1.00 0.00 C ATOM 167 C THR A 12 109.870 -8.121 -11.312 1.00 0.00 C ATOM 168 O THR A 12 109.515 -7.072 -10.773 1.00 0.00 O ATOM 169 CB THR A 12 107.988 -9.002 -12.693 1.00 0.00 C ATOM 170 OG1 THR A 12 107.998 -10.384 -12.319 1.00 0.00 O ATOM 171 CG2 THR A 12 107.310 -8.843 -14.045 1.00 0.00 C ATOM 0 H THR A 12 109.974 -10.349 -13.445 1.00 0.00 H new ATOM 0 HA THR A 12 109.449 -7.547 -13.339 1.00 0.00 H new ATOM 0 HB THR A 12 107.428 -8.431 -11.953 1.00 0.00 H new ATOM 0 HG1 THR A 12 107.079 -10.723 -12.294 1.00 0.00 H new ATOM 0 HG21 THR A 12 106.295 -9.237 -13.992 1.00 0.00 H new ATOM 0 HG22 THR A 12 107.276 -7.787 -14.313 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.873 -9.391 -14.801 1.00 0.00 H new ATOM 179 N LEU A 13 110.646 -9.017 -10.707 1.00 0.00 N ATOM 180 CA LEU A 13 111.132 -8.809 -9.348 1.00 0.00 C ATOM 181 C LEU A 13 112.260 -7.783 -9.323 1.00 0.00 C ATOM 182 O LEU A 13 112.424 -7.049 -8.348 1.00 0.00 O ATOM 183 CB LEU A 13 111.614 -10.132 -8.744 1.00 0.00 C ATOM 184 CG LEU A 13 110.543 -11.216 -8.594 1.00 0.00 C ATOM 185 CD1 LEU A 13 109.268 -10.638 -7.997 1.00 0.00 C ATOM 186 CD2 LEU A 13 110.257 -11.872 -9.936 1.00 0.00 C ATOM 0 H LEU A 13 110.950 -9.891 -11.136 1.00 0.00 H new ATOM 0 HA LEU A 13 110.305 -8.427 -8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 13 112.418 -10.524 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 13 112.041 -9.929 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 13 110.922 -11.977 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 13 108.522 -11.426 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 13 109.484 -10.220 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 13 108.884 -9.853 -8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 13 109.494 -12.640 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 13 109.903 -11.120 -10.641 1.00 0.00 H new ATOM 0 HD23 LEU A 13 111.170 -12.327 -10.320 1.00 0.00 H new ATOM 198 N PHE A 14 113.038 -7.739 -10.399 1.00 0.00 N ATOM 199 CA PHE A 14 114.151 -6.802 -10.501 1.00 0.00 C ATOM 200 C PHE A 14 113.654 -5.359 -10.490 1.00 0.00 C ATOM 201 O PHE A 14 114.065 -4.556 -9.653 1.00 0.00 O ATOM 202 CB PHE A 14 114.952 -7.066 -11.777 1.00 0.00 C ATOM 203 CG PHE A 14 115.998 -8.134 -11.622 1.00 0.00 C ATOM 204 CD1 PHE A 14 115.712 -9.312 -10.952 1.00 0.00 C ATOM 205 CD2 PHE A 14 117.268 -7.959 -12.149 1.00 0.00 C ATOM 206 CE1 PHE A 14 116.671 -10.297 -10.810 1.00 0.00 C ATOM 207 CE2 PHE A 14 118.232 -8.939 -12.010 1.00 0.00 C ATOM 208 CZ PHE A 14 117.934 -10.110 -11.339 1.00 0.00 C ATOM 0 H PHE A 14 112.918 -8.342 -11.213 1.00 0.00 H new ATOM 0 HA PHE A 14 114.797 -6.951 -9.636 1.00 0.00 H new ATOM 0 HB2 PHE A 14 114.266 -7.354 -12.573 1.00 0.00 H new ATOM 0 HB3 PHE A 14 115.434 -6.140 -12.091 1.00 0.00 H new ATOM 0 HD1 PHE A 14 114.727 -9.463 -10.535 1.00 0.00 H new ATOM 0 HD2 PHE A 14 117.507 -7.046 -12.674 1.00 0.00 H new ATOM 0 HE1 PHE A 14 116.434 -11.211 -10.286 1.00 0.00 H new ATOM 0 HE2 PHE A 14 119.218 -8.790 -12.425 1.00 0.00 H new ATOM 0 HZ PHE A 14 118.686 -10.877 -11.228 1.00 0.00 H new ATOM 218 N GLU A 15 112.767 -5.040 -11.427 1.00 0.00 N ATOM 219 CA GLU A 15 112.214 -3.693 -11.528 1.00 0.00 C ATOM 220 C GLU A 15 111.244 -3.410 -10.385 1.00 0.00 C ATOM 221 O GLU A 15 111.039 -2.257 -10.005 1.00 0.00 O ATOM 222 CB GLU A 15 111.504 -3.511 -12.872 1.00 0.00 C ATOM 223 CG GLU A 15 111.005 -2.095 -13.110 1.00 0.00 C ATOM 224 CD GLU A 15 112.116 -1.144 -13.508 1.00 0.00 C ATOM 225 OE1 GLU A 15 112.851 -1.459 -14.468 1.00 0.00 O ATOM 226 OE2 GLU A 15 112.252 -0.085 -12.860 1.00 0.00 O ATOM 0 H GLU A 15 112.416 -5.694 -12.126 1.00 0.00 H new ATOM 0 HA GLU A 15 113.040 -2.985 -11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 15 112.188 -3.786 -13.675 1.00 0.00 H new ATOM 0 HB3 GLU A 15 110.660 -4.198 -12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 15 110.246 -2.108 -13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 15 110.524 -1.726 -12.204 1.00 0.00 H new ATOM 233 N GLN A 16 110.648 -4.467 -9.839 1.00 0.00 N ATOM 234 CA GLN A 16 109.700 -4.327 -8.739 1.00 0.00 C ATOM 235 C GLN A 16 110.332 -3.584 -7.566 1.00 0.00 C ATOM 236 O GLN A 16 109.714 -2.699 -6.974 1.00 0.00 O ATOM 237 CB GLN A 16 109.207 -5.703 -8.284 1.00 0.00 C ATOM 238 CG GLN A 16 107.838 -6.070 -8.830 1.00 0.00 C ATOM 239 CD GLN A 16 106.708 -5.412 -8.063 1.00 0.00 C ATOM 240 OE1 GLN A 16 106.444 -4.220 -8.225 1.00 0.00 O ATOM 241 NE2 GLN A 16 106.034 -6.187 -7.220 1.00 0.00 N ATOM 0 H GLN A 16 110.805 -5.429 -10.141 1.00 0.00 H new ATOM 0 HA GLN A 16 108.850 -3.745 -9.096 1.00 0.00 H new ATOM 0 HB2 GLN A 16 109.928 -6.459 -8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 16 109.172 -5.725 -7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 16 107.779 -5.778 -9.878 1.00 0.00 H new ATOM 0 HG3 GLN A 16 107.715 -7.152 -8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 16 106.287 -7.170 -7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 16 105.264 -5.799 -6.676 1.00 0.00 H new ATOM 250 N ARG A 17 111.566 -3.948 -7.236 1.00 0.00 N ATOM 251 CA ARG A 17 112.280 -3.314 -6.133 1.00 0.00 C ATOM 252 C ARG A 17 112.413 -1.813 -6.367 1.00 0.00 C ATOM 253 O ARG A 17 112.418 -1.025 -5.420 1.00 0.00 O ATOM 254 CB ARG A 17 113.664 -3.942 -5.964 1.00 0.00 C ATOM 255 CG ARG A 17 113.669 -5.165 -5.063 1.00 0.00 C ATOM 256 CD ARG A 17 114.071 -4.808 -3.641 1.00 0.00 C ATOM 257 NE ARG A 17 114.920 -5.832 -3.038 1.00 0.00 N ATOM 258 CZ ARG A 17 116.186 -6.049 -3.392 1.00 0.00 C ATOM 259 NH1 ARG A 17 116.751 -5.315 -4.343 1.00 0.00 N ATOM 260 NH2 ARG A 17 116.887 -7.001 -2.793 1.00 0.00 N ATOM 0 H ARG A 17 112.093 -4.678 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 17 111.706 -3.473 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 17 114.050 -4.221 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 17 114.345 -3.196 -5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 17 112.678 -5.619 -5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 17 114.359 -5.909 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 17 114.599 -3.854 -3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 17 113.176 -4.676 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 17 114.520 -6.415 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 17 116.216 -4.581 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 17 117.721 -5.485 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 17 116.457 -7.567 -2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 17 117.856 -7.168 -3.064 1.00 0.00 H new ATOM 274 N GLN A 18 112.519 -1.423 -7.633 1.00 0.00 N ATOM 275 CA GLN A 18 112.649 -0.016 -7.992 1.00 0.00 C ATOM 276 C GLN A 18 111.284 0.665 -8.018 1.00 0.00 C ATOM 277 O GLN A 18 111.067 1.671 -7.344 1.00 0.00 O ATOM 278 CB GLN A 18 113.331 0.126 -9.354 1.00 0.00 C ATOM 279 CG GLN A 18 114.832 0.350 -9.262 1.00 0.00 C ATOM 280 CD GLN A 18 115.530 -0.710 -8.434 1.00 0.00 C ATOM 281 OE1 GLN A 18 115.513 -0.664 -7.204 1.00 0.00 O ATOM 282 NE2 GLN A 18 116.148 -1.674 -9.106 1.00 0.00 N ATOM 0 H GLN A 18 112.517 -2.062 -8.428 1.00 0.00 H new ATOM 0 HA GLN A 18 113.264 0.471 -7.236 1.00 0.00 H new ATOM 0 HB2 GLN A 18 113.141 -0.772 -9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 18 112.880 0.960 -9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.256 0.359 -10.266 1.00 0.00 H new ATOM 0 HG3 GLN A 18 115.023 1.331 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 18 116.137 -1.673 -10.126 1.00 0.00 H new ATOM 0 HE22 GLN A 18 116.634 -2.416 -8.602 1.00 0.00 H new ATOM 291 N ALA A 19 110.366 0.108 -8.802 1.00 0.00 N ATOM 292 CA ALA A 19 109.021 0.661 -8.913 1.00 0.00 C ATOM 293 C ALA A 19 108.323 0.676 -7.557 1.00 0.00 C ATOM 294 O ALA A 19 107.506 1.552 -7.279 1.00 0.00 O ATOM 295 CB ALA A 19 108.204 -0.133 -9.921 1.00 0.00 C ATOM 0 H ALA A 19 110.529 -0.724 -9.369 1.00 0.00 H new ATOM 0 HA ALA A 19 109.105 1.690 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 19 107.203 0.292 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 19 108.688 -0.089 -10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 19 108.135 -1.171 -9.597 1.00 0.00 H new ATOM 301 N MET A 20 108.654 -0.299 -6.717 1.00 0.00 N ATOM 302 CA MET A 20 108.062 -0.397 -5.389 1.00 0.00 C ATOM 303 C MET A 20 108.622 0.677 -4.460 1.00 0.00 C ATOM 304 O MET A 20 107.989 1.046 -3.471 1.00 0.00 O ATOM 305 CB MET A 20 108.314 -1.784 -4.794 1.00 0.00 C ATOM 306 CG MET A 20 107.542 -2.045 -3.510 1.00 0.00 C ATOM 307 SD MET A 20 106.885 -3.722 -3.421 1.00 0.00 S ATOM 308 CE MET A 20 107.736 -4.344 -1.975 1.00 0.00 C ATOM 0 H MET A 20 109.329 -1.032 -6.933 1.00 0.00 H new ATOM 0 HA MET A 20 106.988 -0.242 -5.488 1.00 0.00 H new ATOM 0 HB2 MET A 20 108.044 -2.541 -5.531 1.00 0.00 H new ATOM 0 HB3 MET A 20 109.380 -1.897 -4.597 1.00 0.00 H new ATOM 0 HG2 MET A 20 108.196 -1.870 -2.656 1.00 0.00 H new ATOM 0 HG3 MET A 20 106.720 -1.333 -3.434 1.00 0.00 H new ATOM 0 HE1 MET A 20 107.433 -5.375 -1.790 1.00 0.00 H new ATOM 0 HE2 MET A 20 108.812 -4.306 -2.142 1.00 0.00 H new ATOM 0 HE3 MET A 20 107.481 -3.730 -1.111 1.00 0.00 H new ATOM 318 N LEU A 21 109.813 1.176 -4.784 1.00 0.00 N ATOM 319 CA LEU A 21 110.456 2.209 -3.977 1.00 0.00 C ATOM 320 C LEU A 21 109.511 3.383 -3.738 1.00 0.00 C ATOM 321 O LEU A 21 109.192 3.715 -2.596 1.00 0.00 O ATOM 322 CB LEU A 21 111.733 2.700 -4.662 1.00 0.00 C ATOM 323 CG LEU A 21 112.572 3.680 -3.839 1.00 0.00 C ATOM 324 CD1 LEU A 21 113.584 2.930 -2.987 1.00 0.00 C ATOM 325 CD2 LEU A 21 113.272 4.678 -4.750 1.00 0.00 C ATOM 0 H LEU A 21 110.351 0.882 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 21 110.713 1.771 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 21 112.350 1.836 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 21 111.462 3.178 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 21 111.906 4.231 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 21 114.172 3.643 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 21 113.060 2.256 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 21 114.246 2.353 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 21 113.864 5.367 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 21 113.926 4.145 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 21 112.528 5.238 -5.316 1.00 0.00 H new ATOM 337 N GLN A 22 109.065 4.007 -4.823 1.00 0.00 N ATOM 338 CA GLN A 22 108.152 5.140 -4.730 1.00 0.00 C ATOM 339 C GLN A 22 106.806 4.701 -4.163 1.00 0.00 C ATOM 340 O GLN A 22 106.321 5.264 -3.182 1.00 0.00 O ATOM 341 CB GLN A 22 107.954 5.777 -6.108 1.00 0.00 C ATOM 342 CG GLN A 22 109.037 6.778 -6.477 1.00 0.00 C ATOM 343 CD GLN A 22 109.981 6.250 -7.538 1.00 0.00 C ATOM 344 OE1 GLN A 22 109.555 5.649 -8.523 1.00 0.00 O ATOM 345 NE2 GLN A 22 111.276 6.472 -7.339 1.00 0.00 N ATOM 0 H GLN A 22 109.321 3.748 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 22 108.590 5.877 -4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 22 107.926 4.990 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 22 106.986 6.277 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 22 108.571 7.696 -6.835 1.00 0.00 H new ATOM 0 HG3 GLN A 22 109.607 7.036 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 22 111.585 6.975 -6.507 1.00 0.00 H new ATOM 0 HE22 GLN A 22 111.961 6.139 -8.018 1.00 0.00 H new ATOM 354 N SER A 23 106.209 3.692 -4.790 1.00 0.00 N ATOM 355 CA SER A 23 104.917 3.167 -4.354 1.00 0.00 C ATOM 356 C SER A 23 103.903 4.291 -4.159 1.00 0.00 C ATOM 357 O SER A 23 103.520 4.605 -3.032 1.00 0.00 O ATOM 358 CB SER A 23 105.079 2.375 -3.054 1.00 0.00 C ATOM 359 OG SER A 23 105.939 3.045 -2.149 1.00 0.00 O ATOM 0 H SER A 23 106.600 3.219 -5.605 1.00 0.00 H new ATOM 0 HA SER A 23 104.543 2.503 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 23 104.103 2.228 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 23 105.479 1.386 -3.275 1.00 0.00 H new ATOM 0 HG SER A 23 105.773 4.010 -2.193 1.00 0.00 H new ATOM 365 N ILE A 24 103.477 4.895 -5.269 1.00 0.00 N ATOM 366 CA ILE A 24 102.500 5.986 -5.239 1.00 0.00 C ATOM 367 C ILE A 24 103.165 7.326 -4.930 1.00 0.00 C ATOM 368 O ILE A 24 102.926 8.318 -5.619 1.00 0.00 O ATOM 369 CB ILE A 24 101.377 5.738 -4.209 1.00 0.00 C ATOM 370 CG1 ILE A 24 100.885 4.290 -4.285 1.00 0.00 C ATOM 371 CG2 ILE A 24 100.225 6.708 -4.439 1.00 0.00 C ATOM 372 CD1 ILE A 24 100.759 3.625 -2.930 1.00 0.00 C ATOM 0 H ILE A 24 103.795 4.646 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 24 102.060 6.019 -6.236 1.00 0.00 H new ATOM 0 HB ILE A 24 101.780 5.909 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 24 99.916 4.269 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 24 101.573 3.712 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 24 99.440 6.522 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 24 100.585 7.732 -4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 24 99.825 6.566 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 24 100.406 2.602 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 24 101.732 3.614 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 24 100.049 4.180 -2.317 1.00 0.00 H new ATOM 384 N LYS A 25 103.999 7.350 -3.893 1.00 0.00 N ATOM 385 CA LYS A 25 104.695 8.572 -3.493 1.00 0.00 C ATOM 386 C LYS A 25 103.722 9.569 -2.872 1.00 0.00 C ATOM 387 O LYS A 25 103.940 10.779 -2.924 1.00 0.00 O ATOM 388 CB LYS A 25 105.403 9.210 -4.693 1.00 0.00 C ATOM 389 CG LYS A 25 106.428 10.263 -4.305 1.00 0.00 C ATOM 390 CD LYS A 25 106.446 11.418 -5.294 1.00 0.00 C ATOM 391 CE LYS A 25 105.192 12.270 -5.179 1.00 0.00 C ATOM 392 NZ LYS A 25 104.906 13.012 -6.438 1.00 0.00 N ATOM 0 H LYS A 25 104.210 6.537 -3.314 1.00 0.00 H new ATOM 0 HA LYS A 25 105.443 8.303 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 25 105.898 8.429 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.657 9.664 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 25 106.203 10.641 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 25 107.418 9.808 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 25 107.325 12.037 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 25 106.531 11.028 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 25 104.342 11.633 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 25 105.309 12.978 -4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 104.043 13.580 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 105.705 13.639 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.769 12.336 -7.216 1.00 0.00 H new ATOM 406 N GLU A 26 102.648 9.051 -2.284 1.00 0.00 N ATOM 407 CA GLU A 26 101.639 9.892 -1.652 1.00 0.00 C ATOM 408 C GLU A 26 101.341 9.408 -0.236 1.00 0.00 C ATOM 409 O GLU A 26 100.244 8.926 0.050 1.00 0.00 O ATOM 410 CB GLU A 26 100.358 9.898 -2.490 1.00 0.00 C ATOM 411 CG GLU A 26 99.688 11.261 -2.569 1.00 0.00 C ATOM 412 CD GLU A 26 99.716 11.846 -3.967 1.00 0.00 C ATOM 413 OE1 GLU A 26 100.744 11.683 -4.659 1.00 0.00 O ATOM 414 OE2 GLU A 26 98.711 12.468 -4.371 1.00 0.00 O ATOM 0 H GLU A 26 102.454 8.051 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 26 102.027 10.909 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 26 100.592 9.559 -3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 26 99.654 9.181 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 26 98.654 11.173 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 26 100.185 11.946 -1.883 1.00 0.00 H new ATOM 421 N GLY A 27 102.324 9.541 0.648 1.00 0.00 N ATOM 422 CA GLY A 27 102.150 9.110 2.022 1.00 0.00 C ATOM 423 C GLY A 27 102.093 7.601 2.149 1.00 0.00 C ATOM 424 O GLY A 27 101.511 6.921 1.304 1.00 0.00 O ATOM 0 H GLY A 27 103.239 9.940 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 27 102.972 9.492 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 27 101.232 9.541 2.422 1.00 0.00 H new ATOM 428 N VAL A 28 102.702 7.074 3.207 1.00 0.00 N ATOM 429 CA VAL A 28 102.720 5.635 3.439 1.00 0.00 C ATOM 430 C VAL A 28 101.776 5.248 4.573 1.00 0.00 C ATOM 431 O VAL A 28 102.101 5.415 5.748 1.00 0.00 O ATOM 432 CB VAL A 28 104.139 5.137 3.771 1.00 0.00 C ATOM 433 CG1 VAL A 28 104.161 3.620 3.893 1.00 0.00 C ATOM 434 CG2 VAL A 28 105.131 5.606 2.717 1.00 0.00 C ATOM 0 H VAL A 28 103.189 7.622 3.916 1.00 0.00 H new ATOM 0 HA VAL A 28 102.385 5.162 2.516 1.00 0.00 H new ATOM 0 HB VAL A 28 104.435 5.560 4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 28 105.172 3.288 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 28 103.483 3.309 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 28 103.843 3.175 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 28 106.128 5.244 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 28 104.839 5.215 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 28 105.138 6.695 2.683 1.00 0.00 H new ATOM 444 N VAL A 29 100.606 4.729 4.212 1.00 0.00 N ATOM 445 CA VAL A 29 99.615 4.316 5.199 1.00 0.00 C ATOM 446 C VAL A 29 98.772 3.159 4.673 1.00 0.00 C ATOM 447 O VAL A 29 97.884 3.353 3.841 1.00 0.00 O ATOM 448 CB VAL A 29 98.685 5.480 5.586 1.00 0.00 C ATOM 449 CG1 VAL A 29 97.832 5.107 6.789 1.00 0.00 C ATOM 450 CG2 VAL A 29 99.493 6.738 5.868 1.00 0.00 C ATOM 0 H VAL A 29 100.322 4.585 3.243 1.00 0.00 H new ATOM 0 HA VAL A 29 100.163 3.993 6.084 1.00 0.00 H new ATOM 0 HB VAL A 29 98.020 5.682 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 29 97.182 5.943 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 29 97.224 4.235 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 29 98.478 4.876 7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 29 98.819 7.550 6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 29 100.184 6.550 6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 29 100.056 7.016 4.977 1.00 0.00 H new ATOM 460 N ALA A 30 99.053 1.956 5.163 1.00 0.00 N ATOM 461 CA ALA A 30 98.321 0.768 4.740 1.00 0.00 C ATOM 462 C ALA A 30 97.639 0.090 5.923 1.00 0.00 C ATOM 463 O ALA A 30 98.138 0.130 7.048 1.00 0.00 O ATOM 464 CB ALA A 30 99.256 -0.206 4.040 1.00 0.00 C ATOM 0 H ALA A 30 99.782 1.778 5.853 1.00 0.00 H new ATOM 0 HA ALA A 30 97.547 1.081 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 30 98.696 -1.088 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.692 0.274 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 30 100.051 -0.503 4.724 1.00 0.00 H new ATOM 470 N VAL A 31 96.495 -0.532 5.660 1.00 0.00 N ATOM 471 CA VAL A 31 95.740 -1.220 6.700 1.00 0.00 C ATOM 472 C VAL A 31 95.813 -2.733 6.519 1.00 0.00 C ATOM 473 O VAL A 31 95.578 -3.248 5.426 1.00 0.00 O ATOM 474 CB VAL A 31 94.262 -0.787 6.702 1.00 0.00 C ATOM 475 CG1 VAL A 31 94.109 0.589 7.334 1.00 0.00 C ATOM 476 CG2 VAL A 31 93.698 -0.800 5.290 1.00 0.00 C ATOM 0 H VAL A 31 96.070 -0.574 4.734 1.00 0.00 H new ATOM 0 HA VAL A 31 96.192 -0.946 7.653 1.00 0.00 H new ATOM 0 HB VAL A 31 93.695 -1.501 7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 31 93.058 0.878 7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 31 94.470 0.559 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 31 94.689 1.317 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.653 -0.491 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 31 94.266 -0.111 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 31 93.770 -1.807 4.879 1.00 0.00 H new ATOM 486 N ASP A 32 96.141 -3.438 7.596 1.00 0.00 N ATOM 487 CA ASP A 32 96.245 -4.891 7.557 1.00 0.00 C ATOM 488 C ASP A 32 94.864 -5.538 7.604 1.00 0.00 C ATOM 489 O ASP A 32 94.523 -6.234 8.559 1.00 0.00 O ATOM 490 CB ASP A 32 97.102 -5.396 8.719 1.00 0.00 C ATOM 491 CG ASP A 32 97.860 -6.662 8.373 1.00 0.00 C ATOM 492 OD1 ASP A 32 98.168 -6.861 7.179 1.00 0.00 O ATOM 493 OD2 ASP A 32 98.145 -7.455 9.295 1.00 0.00 O ATOM 0 H ASP A 32 96.340 -3.026 8.508 1.00 0.00 H new ATOM 0 HA ASP A 32 96.723 -5.170 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 32 97.810 -4.620 9.008 1.00 0.00 H new ATOM 0 HB3 ASP A 32 96.464 -5.583 9.583 1.00 0.00 H new ATOM 498 N ASP A 33 94.078 -5.301 6.560 1.00 0.00 N ATOM 499 CA ASP A 33 92.734 -5.856 6.468 1.00 0.00 C ATOM 500 C ASP A 33 91.824 -5.280 7.550 1.00 0.00 C ATOM 501 O ASP A 33 90.979 -4.427 7.275 1.00 0.00 O ATOM 502 CB ASP A 33 92.777 -7.384 6.574 1.00 0.00 C ATOM 503 CG ASP A 33 92.105 -8.065 5.398 1.00 0.00 C ATOM 504 OD1 ASP A 33 90.874 -7.913 5.249 1.00 0.00 O ATOM 505 OD2 ASP A 33 92.809 -8.748 4.626 1.00 0.00 O ATOM 0 H ASP A 33 94.350 -4.726 5.763 1.00 0.00 H new ATOM 0 HA ASP A 33 92.325 -5.580 5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 33 93.815 -7.712 6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.289 -7.695 7.498 1.00 0.00 H new ATOM 510 N ARG A 34 92.002 -5.748 8.782 1.00 0.00 N ATOM 511 CA ARG A 34 91.193 -5.281 9.903 1.00 0.00 C ATOM 512 C ARG A 34 91.323 -3.772 10.082 1.00 0.00 C ATOM 513 O ARG A 34 90.333 -3.077 10.309 1.00 0.00 O ATOM 514 CB ARG A 34 91.605 -5.997 11.191 1.00 0.00 C ATOM 515 CG ARG A 34 93.074 -5.821 11.541 1.00 0.00 C ATOM 516 CD ARG A 34 93.597 -6.992 12.360 1.00 0.00 C ATOM 517 NE ARG A 34 93.855 -6.618 13.748 1.00 0.00 N ATOM 518 CZ ARG A 34 94.191 -7.485 14.700 1.00 0.00 C ATOM 519 NH1 ARG A 34 94.302 -8.778 14.421 1.00 0.00 N ATOM 520 NH2 ARG A 34 94.414 -7.059 15.936 1.00 0.00 N ATOM 0 H ARG A 34 92.699 -6.450 9.029 1.00 0.00 H new ATOM 0 HA ARG A 34 90.151 -5.512 9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 34 90.996 -5.624 12.015 1.00 0.00 H new ATOM 0 HB3 ARG A 34 91.389 -7.061 11.091 1.00 0.00 H new ATOM 0 HG2 ARG A 34 93.658 -5.726 10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 34 93.207 -4.896 12.101 1.00 0.00 H new ATOM 0 HD2 ARG A 34 92.872 -7.806 12.333 1.00 0.00 H new ATOM 0 HD3 ARG A 34 94.515 -7.368 11.909 1.00 0.00 H new ATOM 0 HE ARG A 34 93.773 -5.634 14.003 1.00 0.00 H new ATOM 0 HH11 ARG A 34 94.129 -9.112 13.473 1.00 0.00 H new ATOM 0 HH12 ARG A 34 94.560 -9.438 15.155 1.00 0.00 H new ATOM 0 HH21 ARG A 34 94.328 -6.067 16.157 1.00 0.00 H new ATOM 0 HH22 ARG A 34 94.672 -7.723 16.666 1.00 0.00 H new ATOM 534 N GLY A 35 92.550 -3.270 9.981 1.00 0.00 N ATOM 535 CA GLY A 35 92.782 -1.846 10.134 1.00 0.00 C ATOM 536 C GLY A 35 93.716 -1.532 11.288 1.00 0.00 C ATOM 537 O GLY A 35 93.466 -1.932 12.424 1.00 0.00 O ATOM 0 H GLY A 35 93.387 -3.824 9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 35 93.203 -1.448 9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 35 91.829 -1.341 10.293 1.00 0.00 H new ATOM 541 N GLU A 36 94.794 -0.813 10.994 1.00 0.00 N ATOM 542 CA GLU A 36 95.769 -0.445 12.016 1.00 0.00 C ATOM 543 C GLU A 36 96.682 0.671 11.520 1.00 0.00 C ATOM 544 O GLU A 36 97.336 0.540 10.486 1.00 0.00 O ATOM 545 CB GLU A 36 96.603 -1.664 12.413 1.00 0.00 C ATOM 546 CG GLU A 36 96.978 -1.690 13.886 1.00 0.00 C ATOM 547 CD GLU A 36 97.514 -3.037 14.326 1.00 0.00 C ATOM 548 OE1 GLU A 36 97.212 -4.046 13.653 1.00 0.00 O ATOM 549 OE2 GLU A 36 98.237 -3.085 15.344 1.00 0.00 O ATOM 0 H GLU A 36 95.015 -0.474 10.058 1.00 0.00 H new ATOM 0 HA GLU A 36 95.226 -0.083 12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 36 96.046 -2.569 12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.514 -1.682 11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 36 97.728 -0.923 14.080 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.103 -1.438 14.485 1.00 0.00 H new ATOM 556 N VAL A 37 96.720 1.771 12.266 1.00 0.00 N ATOM 557 CA VAL A 37 97.554 2.910 11.903 1.00 0.00 C ATOM 558 C VAL A 37 98.243 3.498 13.130 1.00 0.00 C ATOM 559 O VAL A 37 98.410 4.713 13.242 1.00 0.00 O ATOM 560 CB VAL A 37 96.729 4.013 11.213 1.00 0.00 C ATOM 561 CG1 VAL A 37 97.641 5.092 10.647 1.00 0.00 C ATOM 562 CG2 VAL A 37 95.851 3.419 10.121 1.00 0.00 C ATOM 0 H VAL A 37 96.183 1.897 13.124 1.00 0.00 H new ATOM 0 HA VAL A 37 98.308 2.542 11.207 1.00 0.00 H new ATOM 0 HB VAL A 37 96.081 4.475 11.958 1.00 0.00 H new ATOM 0 HG11 VAL A 37 97.038 5.861 10.164 1.00 0.00 H new ATOM 0 HG12 VAL A 37 98.221 5.539 11.455 1.00 0.00 H new ATOM 0 HG13 VAL A 37 98.318 4.650 9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 37 95.276 4.213 9.645 1.00 0.00 H new ATOM 0 HG22 VAL A 37 96.478 2.929 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 37 95.170 2.689 10.559 1.00 0.00 H new ATOM 572 N THR A 38 98.645 2.626 14.050 1.00 0.00 N ATOM 573 CA THR A 38 99.316 3.059 15.270 1.00 0.00 C ATOM 574 C THR A 38 100.782 3.387 15.005 1.00 0.00 C ATOM 575 O THR A 38 101.366 4.242 15.670 1.00 0.00 O ATOM 576 CB THR A 38 99.234 1.982 16.368 1.00 0.00 C ATOM 577 OG1 THR A 38 100.045 2.359 17.487 1.00 0.00 O ATOM 578 CG2 THR A 38 99.691 0.632 15.838 1.00 0.00 C ATOM 0 H THR A 38 98.518 1.617 13.974 1.00 0.00 H new ATOM 0 HA THR A 38 98.801 3.957 15.612 1.00 0.00 H new ATOM 0 HB THR A 38 98.194 1.898 16.685 1.00 0.00 H new ATOM 0 HG1 THR A 38 99.986 1.670 18.181 1.00 0.00 H new ATOM 0 HG21 THR A 38 99.624 -0.112 16.632 1.00 0.00 H new ATOM 0 HG22 THR A 38 99.054 0.333 15.006 1.00 0.00 H new ATOM 0 HG23 THR A 38 100.723 0.706 15.496 1.00 0.00 H new ATOM 586 N LEU A 39 101.370 2.704 14.027 1.00 0.00 N ATOM 587 CA LEU A 39 102.768 2.925 13.677 1.00 0.00 C ATOM 588 C LEU A 39 102.889 3.675 12.354 1.00 0.00 C ATOM 589 O LEU A 39 102.262 3.307 11.361 1.00 0.00 O ATOM 590 CB LEU A 39 103.512 1.589 13.588 1.00 0.00 C ATOM 591 CG LEU A 39 103.658 0.839 14.915 1.00 0.00 C ATOM 592 CD1 LEU A 39 102.747 -0.380 14.945 1.00 0.00 C ATOM 593 CD2 LEU A 39 105.106 0.427 15.141 1.00 0.00 C ATOM 0 H LEU A 39 100.901 1.994 13.464 1.00 0.00 H new ATOM 0 HA LEU A 39 103.219 3.534 14.461 1.00 0.00 H new ATOM 0 HB2 LEU A 39 102.989 0.946 12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 39 104.506 1.771 13.179 1.00 0.00 H new ATOM 0 HG LEU A 39 103.361 1.510 15.721 1.00 0.00 H new ATOM 0 HD11 LEU A 39 102.865 -0.899 15.896 1.00 0.00 H new ATOM 0 HD12 LEU A 39 101.710 -0.062 14.832 1.00 0.00 H new ATOM 0 HD13 LEU A 39 103.012 -1.052 14.129 1.00 0.00 H new ATOM 0 HD21 LEU A 39 105.189 -0.105 16.089 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.430 -0.225 14.330 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.737 1.315 15.166 1.00 0.00 H new ATOM 605 N ILE A 40 103.699 4.728 12.351 1.00 0.00 N ATOM 606 CA ILE A 40 103.905 5.531 11.150 1.00 0.00 C ATOM 607 C ILE A 40 105.297 5.293 10.570 1.00 0.00 C ATOM 608 O ILE A 40 106.246 5.014 11.303 1.00 0.00 O ATOM 609 CB ILE A 40 103.727 7.035 11.443 1.00 0.00 C ATOM 610 CG1 ILE A 40 103.891 7.855 10.161 1.00 0.00 C ATOM 611 CG2 ILE A 40 104.720 7.491 12.501 1.00 0.00 C ATOM 612 CD1 ILE A 40 103.614 9.331 10.348 1.00 0.00 C ATOM 0 H ILE A 40 104.224 5.046 13.166 1.00 0.00 H new ATOM 0 HA ILE A 40 103.153 5.223 10.424 1.00 0.00 H new ATOM 0 HB ILE A 40 102.719 7.196 11.825 1.00 0.00 H new ATOM 0 HG12 ILE A 40 104.907 7.729 9.786 1.00 0.00 H new ATOM 0 HG13 ILE A 40 103.219 7.461 9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 40 104.581 8.554 12.696 1.00 0.00 H new ATOM 0 HG22 ILE A 40 104.556 6.929 13.420 1.00 0.00 H new ATOM 0 HG23 ILE A 40 105.736 7.317 12.146 1.00 0.00 H new ATOM 0 HD11 ILE A 40 103.749 9.850 9.399 1.00 0.00 H new ATOM 0 HD12 ILE A 40 102.589 9.468 10.693 1.00 0.00 H new ATOM 0 HD13 ILE A 40 104.304 9.740 11.087 1.00 0.00 H new ATOM 624 N ASN A 41 105.410 5.404 9.250 1.00 0.00 N ATOM 625 CA ASN A 41 106.685 5.202 8.574 1.00 0.00 C ATOM 626 C ASN A 41 107.700 6.261 8.996 1.00 0.00 C ATOM 627 O ASN A 41 107.417 7.100 9.851 1.00 0.00 O ATOM 628 CB ASN A 41 106.494 5.239 7.056 1.00 0.00 C ATOM 629 CG ASN A 41 106.316 3.856 6.460 1.00 0.00 C ATOM 630 OD1 ASN A 41 105.430 3.103 6.864 1.00 0.00 O ATOM 631 ND2 ASN A 41 107.162 3.513 5.495 1.00 0.00 N ATOM 0 H ASN A 41 104.634 5.633 8.628 1.00 0.00 H new ATOM 0 HA ASN A 41 107.068 4.223 8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 41 105.623 5.849 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 41 107.357 5.721 6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 41 107.092 2.594 5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 41 107.882 4.169 5.191 1.00 0.00 H new ATOM 638 N ASP A 42 108.882 6.215 8.390 1.00 0.00 N ATOM 639 CA ASP A 42 109.939 7.170 8.703 1.00 0.00 C ATOM 640 C ASP A 42 109.710 8.492 7.978 1.00 0.00 C ATOM 641 O ASP A 42 109.536 9.535 8.607 1.00 0.00 O ATOM 642 CB ASP A 42 111.304 6.595 8.320 1.00 0.00 C ATOM 643 CG ASP A 42 111.593 5.279 9.015 1.00 0.00 C ATOM 644 OD1 ASP A 42 111.032 5.048 10.106 1.00 0.00 O ATOM 645 OD2 ASP A 42 112.379 4.479 8.466 1.00 0.00 O ATOM 0 H ASP A 42 109.132 5.527 7.680 1.00 0.00 H new ATOM 0 HA ASP A 42 109.919 7.357 9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 42 111.344 6.449 7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 42 112.082 7.315 8.573 1.00 0.00 H new ATOM 650 N ALA A 43 109.709 8.440 6.650 1.00 0.00 N ATOM 651 CA ALA A 43 109.501 9.632 5.837 1.00 0.00 C ATOM 652 C ALA A 43 108.080 10.166 5.991 1.00 0.00 C ATOM 653 O ALA A 43 107.838 11.364 5.837 1.00 0.00 O ATOM 654 CB ALA A 43 109.799 9.332 4.377 1.00 0.00 C ATOM 0 H ALA A 43 109.850 7.584 6.114 1.00 0.00 H new ATOM 0 HA ALA A 43 110.188 10.403 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 43 109.640 10.231 3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 43 110.835 9.009 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 43 109.136 8.541 4.025 1.00 0.00 H new ATOM 660 N ALA A 44 107.145 9.272 6.297 1.00 0.00 N ATOM 661 CA ALA A 44 105.747 9.656 6.470 1.00 0.00 C ATOM 662 C ALA A 44 105.600 10.760 7.511 1.00 0.00 C ATOM 663 O ALA A 44 104.726 11.620 7.399 1.00 0.00 O ATOM 664 CB ALA A 44 104.913 8.445 6.863 1.00 0.00 C ATOM 0 H ALA A 44 107.329 8.278 6.430 1.00 0.00 H new ATOM 0 HA ALA A 44 105.385 10.043 5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 44 103.873 8.745 6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 44 104.980 7.688 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 44 105.288 8.034 7.800 1.00 0.00 H new ATOM 670 N GLN A 45 106.462 10.733 8.523 1.00 0.00 N ATOM 671 CA GLN A 45 106.427 11.734 9.583 1.00 0.00 C ATOM 672 C GLN A 45 107.071 13.038 9.124 1.00 0.00 C ATOM 673 O GLN A 45 106.644 14.124 9.515 1.00 0.00 O ATOM 674 CB GLN A 45 107.143 11.211 10.830 1.00 0.00 C ATOM 675 CG GLN A 45 106.413 10.069 11.517 1.00 0.00 C ATOM 676 CD GLN A 45 107.244 9.419 12.606 1.00 0.00 C ATOM 677 OE1 GLN A 45 107.260 9.878 13.748 1.00 0.00 O ATOM 678 NE2 GLN A 45 107.940 8.343 12.257 1.00 0.00 N ATOM 0 H GLN A 45 107.193 10.029 8.631 1.00 0.00 H new ATOM 0 HA GLN A 45 105.383 11.932 9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 45 108.142 10.877 10.552 1.00 0.00 H new ATOM 0 HB3 GLN A 45 107.267 12.030 11.538 1.00 0.00 H new ATOM 0 HG2 GLN A 45 105.484 10.443 11.948 1.00 0.00 H new ATOM 0 HG3 GLN A 45 106.141 9.318 10.775 1.00 0.00 H new ATOM 0 HE21 GLN A 45 107.897 7.997 11.299 1.00 0.00 H new ATOM 0 HE22 GLN A 45 108.517 7.863 12.947 1.00 0.00 H new ATOM 687 N GLU A 46 108.101 12.922 8.293 1.00 0.00 N ATOM 688 CA GLU A 46 108.805 14.091 7.779 1.00 0.00 C ATOM 689 C GLU A 46 108.001 14.778 6.679 1.00 0.00 C ATOM 690 O GLU A 46 108.170 15.972 6.428 1.00 0.00 O ATOM 691 CB GLU A 46 110.182 13.689 7.246 1.00 0.00 C ATOM 692 CG GLU A 46 111.264 14.723 7.514 1.00 0.00 C ATOM 693 CD GLU A 46 111.593 14.853 8.989 1.00 0.00 C ATOM 694 OE1 GLU A 46 111.446 13.851 9.720 1.00 0.00 O ATOM 695 OE2 GLU A 46 111.998 15.956 9.411 1.00 0.00 O ATOM 0 H GLU A 46 108.467 12.030 7.961 1.00 0.00 H new ATOM 0 HA GLU A 46 108.931 14.795 8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 46 110.476 12.742 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 46 110.111 13.520 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 46 112.166 14.450 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 46 110.940 15.691 7.131 1.00 0.00 H new ATOM 702 N LEU A 47 107.125 14.019 6.023 1.00 0.00 N ATOM 703 CA LEU A 47 106.296 14.560 4.950 1.00 0.00 C ATOM 704 C LEU A 47 105.521 15.787 5.426 1.00 0.00 C ATOM 705 O LEU A 47 105.699 16.887 4.905 1.00 0.00 O ATOM 706 CB LEU A 47 105.326 13.491 4.438 1.00 0.00 C ATOM 707 CG LEU A 47 105.541 13.060 2.985 1.00 0.00 C ATOM 708 CD1 LEU A 47 105.429 14.255 2.050 1.00 0.00 C ATOM 709 CD2 LEU A 47 106.892 12.381 2.827 1.00 0.00 C ATOM 0 H LEU A 47 106.972 13.029 6.216 1.00 0.00 H new ATOM 0 HA LEU A 47 106.952 14.864 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 47 105.408 12.612 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 47 104.308 13.867 4.542 1.00 0.00 H new ATOM 0 HG LEU A 47 104.763 12.345 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 47 105.585 13.928 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 47 104.438 14.699 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 47 106.184 14.995 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 47 107.029 12.081 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 47 107.683 13.074 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 47 106.934 11.500 3.468 1.00 0.00 H new ATOM 721 N LEU A 48 104.662 15.587 6.421 1.00 0.00 N ATOM 722 CA LEU A 48 103.862 16.677 6.969 1.00 0.00 C ATOM 723 C LEU A 48 104.718 17.595 7.834 1.00 0.00 C ATOM 724 O LEU A 48 104.912 18.767 7.510 1.00 0.00 O ATOM 725 CB LEU A 48 102.699 16.118 7.792 1.00 0.00 C ATOM 726 CG LEU A 48 101.552 15.523 6.972 1.00 0.00 C ATOM 727 CD1 LEU A 48 101.775 14.036 6.747 1.00 0.00 C ATOM 728 CD2 LEU A 48 100.220 15.767 7.665 1.00 0.00 C ATOM 0 H LEU A 48 104.502 14.682 6.863 1.00 0.00 H new ATOM 0 HA LEU A 48 103.463 17.258 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 48 103.084 15.349 8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 48 102.301 16.916 8.419 1.00 0.00 H new ATOM 0 HG LEU A 48 101.528 16.017 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 48 100.950 13.629 6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 48 102.711 13.886 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 48 101.824 13.526 7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 48 99.415 15.337 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 48 100.231 15.299 8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 48 100.058 16.839 7.774 1.00 0.00 H new ATOM 740 N ASN A 49 105.229 17.054 8.935 1.00 0.00 N ATOM 741 CA ASN A 49 106.067 17.824 9.847 1.00 0.00 C ATOM 742 C ASN A 49 106.567 16.950 10.994 1.00 0.00 C ATOM 743 O ASN A 49 107.773 16.798 11.191 1.00 0.00 O ATOM 744 CB ASN A 49 105.290 19.023 10.400 1.00 0.00 C ATOM 745 CG ASN A 49 105.986 20.340 10.118 1.00 0.00 C ATOM 746 OD1 ASN A 49 106.352 21.072 11.037 1.00 0.00 O ATOM 747 ND2 ASN A 49 106.172 20.649 8.839 1.00 0.00 N ATOM 0 H ASN A 49 105.078 16.086 9.217 1.00 0.00 H new ATOM 0 HA ASN A 49 106.930 18.188 9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 49 104.293 19.040 9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 49 105.162 18.905 11.476 1.00 0.00 H new ATOM 0 HD21 ASN A 49 106.634 21.523 8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 49 105.852 20.012 8.109 1.00 0.00 H new ATOM 754 N TYR A 50 105.634 16.379 11.749 1.00 0.00 N ATOM 755 CA TYR A 50 105.981 15.521 12.875 1.00 0.00 C ATOM 756 C TYR A 50 104.734 14.895 13.490 1.00 0.00 C ATOM 757 O TYR A 50 104.685 13.688 13.726 1.00 0.00 O ATOM 758 CB TYR A 50 106.741 16.319 13.936 1.00 0.00 C ATOM 759 CG TYR A 50 107.751 15.497 14.705 1.00 0.00 C ATOM 760 CD1 TYR A 50 108.622 14.639 14.046 1.00 0.00 C ATOM 761 CD2 TYR A 50 107.835 15.582 16.089 1.00 0.00 C ATOM 762 CE1 TYR A 50 109.547 13.886 14.745 1.00 0.00 C ATOM 763 CE2 TYR A 50 108.757 14.833 16.795 1.00 0.00 C ATOM 764 CZ TYR A 50 109.610 13.987 16.118 1.00 0.00 C ATOM 765 OH TYR A 50 110.530 13.240 16.817 1.00 0.00 O ATOM 0 H TYR A 50 104.632 16.495 11.601 1.00 0.00 H new ATOM 0 HA TYR A 50 106.621 14.720 12.504 1.00 0.00 H new ATOM 0 HB2 TYR A 50 107.254 17.151 13.454 1.00 0.00 H new ATOM 0 HB3 TYR A 50 106.025 16.749 14.637 1.00 0.00 H new ATOM 0 HD1 TYR A 50 108.576 14.559 12.970 1.00 0.00 H new ATOM 0 HD2 TYR A 50 107.169 16.244 16.622 1.00 0.00 H new ATOM 0 HE1 TYR A 50 110.217 13.222 14.218 1.00 0.00 H new ATOM 0 HE2 TYR A 50 108.809 14.910 17.871 1.00 0.00 H new ATOM 0 HH TYR A 50 110.444 13.428 17.775 1.00 0.00 H new ATOM 775 N ARG A 51 103.728 15.724 13.749 1.00 0.00 N ATOM 776 CA ARG A 51 102.479 15.254 14.337 1.00 0.00 C ATOM 777 C ARG A 51 102.723 14.633 15.709 1.00 0.00 C ATOM 778 O ARG A 51 103.862 14.356 16.083 1.00 0.00 O ATOM 779 CB ARG A 51 101.807 14.236 13.414 1.00 0.00 C ATOM 780 CG ARG A 51 100.736 14.840 12.520 1.00 0.00 C ATOM 781 CD ARG A 51 99.603 15.441 13.337 1.00 0.00 C ATOM 782 NE ARG A 51 98.341 15.451 12.600 1.00 0.00 N ATOM 783 CZ ARG A 51 97.256 16.111 12.996 1.00 0.00 C ATOM 784 NH1 ARG A 51 97.272 16.813 14.122 1.00 0.00 N ATOM 785 NH2 ARG A 51 96.150 16.067 12.265 1.00 0.00 N ATOM 0 H ARG A 51 103.754 16.726 13.561 1.00 0.00 H new ATOM 0 HA ARG A 51 101.819 16.112 14.460 1.00 0.00 H new ATOM 0 HB2 ARG A 51 102.567 13.766 12.790 1.00 0.00 H new ATOM 0 HB3 ARG A 51 101.361 13.448 14.020 1.00 0.00 H new ATOM 0 HG2 ARG A 51 101.179 15.610 11.889 1.00 0.00 H new ATOM 0 HG3 ARG A 51 100.340 14.072 11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 51 99.480 14.873 14.259 1.00 0.00 H new ATOM 0 HD3 ARG A 51 99.864 16.460 13.623 1.00 0.00 H new ATOM 0 HE ARG A 51 98.289 14.920 11.730 1.00 0.00 H new ATOM 0 HH11 ARG A 51 98.119 16.849 14.689 1.00 0.00 H new ATOM 0 HH12 ARG A 51 96.437 17.317 14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 51 96.132 15.527 11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 51 95.318 16.573 12.568 1.00 0.00 H new ATOM 799 N LYS A 52 101.644 14.418 16.455 1.00 0.00 N ATOM 800 CA LYS A 52 101.738 13.829 17.786 1.00 0.00 C ATOM 801 C LYS A 52 100.413 13.188 18.191 1.00 0.00 C ATOM 802 O LYS A 52 100.069 13.140 19.372 1.00 0.00 O ATOM 803 CB LYS A 52 102.138 14.896 18.809 1.00 0.00 C ATOM 804 CG LYS A 52 103.612 14.860 19.182 1.00 0.00 C ATOM 805 CD LYS A 52 103.854 15.455 20.560 1.00 0.00 C ATOM 806 CE LYS A 52 104.873 14.647 21.346 1.00 0.00 C ATOM 807 NZ LYS A 52 104.801 14.931 22.806 1.00 0.00 N ATOM 0 H LYS A 52 100.694 14.643 16.160 1.00 0.00 H new ATOM 0 HA LYS A 52 102.503 13.053 17.762 1.00 0.00 H new ATOM 0 HB2 LYS A 52 101.897 15.880 18.408 1.00 0.00 H new ATOM 0 HB3 LYS A 52 101.540 14.765 19.711 1.00 0.00 H new ATOM 0 HG2 LYS A 52 103.968 13.830 19.162 1.00 0.00 H new ATOM 0 HG3 LYS A 52 104.189 15.412 18.440 1.00 0.00 H new ATOM 0 HD2 LYS A 52 104.204 16.482 20.457 1.00 0.00 H new ATOM 0 HD3 LYS A 52 102.914 15.492 21.111 1.00 0.00 H new ATOM 0 HE2 LYS A 52 104.704 13.584 21.174 1.00 0.00 H new ATOM 0 HE3 LYS A 52 105.875 14.873 20.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 105.512 14.360 23.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 104.988 15.940 22.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 103.853 14.691 23.160 1.00 0.00 H new ATOM 821 N SER A 53 99.673 12.694 17.203 1.00 0.00 N ATOM 822 CA SER A 53 98.386 12.056 17.457 1.00 0.00 C ATOM 823 C SER A 53 97.879 11.334 16.212 1.00 0.00 C ATOM 824 O SER A 53 97.597 10.136 16.249 1.00 0.00 O ATOM 825 CB SER A 53 97.359 13.097 17.906 1.00 0.00 C ATOM 826 OG SER A 53 97.542 13.438 19.269 1.00 0.00 O ATOM 0 H SER A 53 99.942 12.723 16.220 1.00 0.00 H new ATOM 0 HA SER A 53 98.524 11.322 18.250 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.449 13.991 17.289 1.00 0.00 H new ATOM 0 HB3 SER A 53 96.352 12.707 17.757 1.00 0.00 H new ATOM 0 HG SER A 53 98.391 13.067 19.588 1.00 0.00 H new ATOM 832 N GLN A 54 97.767 12.071 15.112 1.00 0.00 N ATOM 833 CA GLN A 54 97.292 11.504 13.855 1.00 0.00 C ATOM 834 C GLN A 54 98.178 10.343 13.410 1.00 0.00 C ATOM 835 O GLN A 54 97.686 9.323 12.927 1.00 0.00 O ATOM 836 CB GLN A 54 97.257 12.578 12.767 1.00 0.00 C ATOM 837 CG GLN A 54 96.711 12.082 11.438 1.00 0.00 C ATOM 838 CD GLN A 54 95.198 12.163 11.362 1.00 0.00 C ATOM 839 OE1 GLN A 54 94.639 13.198 10.997 1.00 0.00 O ATOM 840 NE2 GLN A 54 94.529 11.071 11.709 1.00 0.00 N ATOM 0 H GLN A 54 97.999 13.063 15.065 1.00 0.00 H new ATOM 0 HA GLN A 54 96.282 11.126 14.016 1.00 0.00 H new ATOM 0 HB2 GLN A 54 96.647 13.413 13.112 1.00 0.00 H new ATOM 0 HB3 GLN A 54 98.266 12.962 12.615 1.00 0.00 H new ATOM 0 HG2 GLN A 54 97.144 12.671 10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 54 97.024 11.049 11.283 1.00 0.00 H new ATOM 0 HE21 GLN A 54 95.034 10.236 12.005 1.00 0.00 H new ATOM 0 HE22 GLN A 54 93.509 11.067 11.680 1.00 0.00 H new ATOM 849 N ASP A 55 99.486 10.507 13.577 1.00 0.00 N ATOM 850 CA ASP A 55 100.439 9.473 13.194 1.00 0.00 C ATOM 851 C ASP A 55 100.191 8.187 13.973 1.00 0.00 C ATOM 852 O ASP A 55 100.436 7.089 13.474 1.00 0.00 O ATOM 853 CB ASP A 55 101.871 9.958 13.432 1.00 0.00 C ATOM 854 CG ASP A 55 102.133 10.290 14.887 1.00 0.00 C ATOM 855 OD1 ASP A 55 101.217 10.822 15.550 1.00 0.00 O ATOM 856 OD2 ASP A 55 103.254 10.020 15.366 1.00 0.00 O ATOM 0 H ASP A 55 99.910 11.345 13.975 1.00 0.00 H new ATOM 0 HA ASP A 55 100.303 9.265 12.133 1.00 0.00 H new ATOM 0 HB2 ASP A 55 102.571 9.189 13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 55 102.059 10.841 12.821 1.00 0.00 H new ATOM 861 N ASP A 56 99.701 8.332 15.201 1.00 0.00 N ATOM 862 CA ASP A 56 99.420 7.182 16.053 1.00 0.00 C ATOM 863 C ASP A 56 97.922 7.050 16.309 1.00 0.00 C ATOM 864 O ASP A 56 97.108 7.669 15.623 1.00 0.00 O ATOM 865 CB ASP A 56 100.170 7.311 17.382 1.00 0.00 C ATOM 866 CG ASP A 56 101.608 7.757 17.196 1.00 0.00 C ATOM 867 OD1 ASP A 56 102.444 6.916 16.807 1.00 0.00 O ATOM 868 OD2 ASP A 56 101.896 8.947 17.440 1.00 0.00 O ATOM 0 H ASP A 56 99.491 9.234 15.628 1.00 0.00 H new ATOM 0 HA ASP A 56 99.762 6.285 15.538 1.00 0.00 H new ATOM 0 HB2 ASP A 56 99.651 8.026 18.021 1.00 0.00 H new ATOM 0 HB3 ASP A 56 100.154 6.352 17.899 1.00 0.00 H new ATOM 873 N GLU A 57 97.562 6.240 17.303 1.00 0.00 N ATOM 874 CA GLU A 57 96.160 6.027 17.650 1.00 0.00 C ATOM 875 C GLU A 57 95.434 5.267 16.544 1.00 0.00 C ATOM 876 O GLU A 57 95.844 5.299 15.384 1.00 0.00 O ATOM 877 CB GLU A 57 95.465 7.365 17.910 1.00 0.00 C ATOM 878 CG GLU A 57 96.288 8.324 18.755 1.00 0.00 C ATOM 879 CD GLU A 57 95.433 9.338 19.489 1.00 0.00 C ATOM 880 OE1 GLU A 57 94.844 10.214 18.820 1.00 0.00 O ATOM 881 OE2 GLU A 57 95.351 9.256 20.733 1.00 0.00 O ATOM 0 H GLU A 57 98.222 5.721 17.882 1.00 0.00 H new ATOM 0 HA GLU A 57 96.125 5.428 18.560 1.00 0.00 H new ATOM 0 HB2 GLU A 57 95.238 7.839 16.955 1.00 0.00 H new ATOM 0 HB3 GLU A 57 94.513 7.180 18.408 1.00 0.00 H new ATOM 0 HG2 GLU A 57 96.872 7.755 19.479 1.00 0.00 H new ATOM 0 HG3 GLU A 57 96.998 8.848 18.115 1.00 0.00 H new ATOM 888 N LYS A 58 94.354 4.585 16.913 1.00 0.00 N ATOM 889 CA LYS A 58 93.572 3.815 15.952 1.00 0.00 C ATOM 890 C LYS A 58 92.521 4.691 15.277 1.00 0.00 C ATOM 891 O LYS A 58 91.677 5.292 15.942 1.00 0.00 O ATOM 892 CB LYS A 58 92.896 2.630 16.644 1.00 0.00 C ATOM 893 CG LYS A 58 92.136 1.720 15.691 1.00 0.00 C ATOM 894 CD LYS A 58 90.631 1.816 15.900 1.00 0.00 C ATOM 895 CE LYS A 58 90.044 0.488 16.351 1.00 0.00 C ATOM 896 NZ LYS A 58 88.961 0.671 17.355 1.00 0.00 N ATOM 0 H LYS A 58 94.001 4.550 17.869 1.00 0.00 H new ATOM 0 HA LYS A 58 94.252 3.441 15.187 1.00 0.00 H new ATOM 0 HB2 LYS A 58 93.653 2.045 17.166 1.00 0.00 H new ATOM 0 HB3 LYS A 58 92.207 3.006 17.400 1.00 0.00 H new ATOM 0 HG2 LYS A 58 92.378 1.987 14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 58 92.459 0.689 15.837 1.00 0.00 H new ATOM 0 HD2 LYS A 58 90.414 2.582 16.645 1.00 0.00 H new ATOM 0 HD3 LYS A 58 90.153 2.129 14.972 1.00 0.00 H new ATOM 0 HE2 LYS A 58 89.651 -0.047 15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 58 90.833 -0.131 16.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 88.588 -0.258 17.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 89.341 1.159 18.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 88.196 1.240 16.940 1.00 0.00 H new ATOM 910 N LEU A 59 92.578 4.758 13.950 1.00 0.00 N ATOM 911 CA LEU A 59 91.630 5.558 13.184 1.00 0.00 C ATOM 912 C LEU A 59 91.342 4.912 11.832 1.00 0.00 C ATOM 913 O LEU A 59 92.119 5.054 10.888 1.00 0.00 O ATOM 914 CB LEU A 59 92.172 6.975 12.979 1.00 0.00 C ATOM 915 CG LEU A 59 92.281 7.817 14.252 1.00 0.00 C ATOM 916 CD1 LEU A 59 93.699 7.774 14.799 1.00 0.00 C ATOM 917 CD2 LEU A 59 91.856 9.253 13.982 1.00 0.00 C ATOM 0 H LEU A 59 93.271 4.268 13.384 1.00 0.00 H new ATOM 0 HA LEU A 59 90.699 5.611 13.749 1.00 0.00 H new ATOM 0 HB2 LEU A 59 93.159 6.907 12.521 1.00 0.00 H new ATOM 0 HB3 LEU A 59 91.527 7.496 12.271 1.00 0.00 H new ATOM 0 HG LEU A 59 91.610 7.396 15.001 1.00 0.00 H new ATOM 0 HD11 LEU A 59 93.758 8.378 15.704 1.00 0.00 H new ATOM 0 HD12 LEU A 59 93.968 6.744 15.032 1.00 0.00 H new ATOM 0 HD13 LEU A 59 94.389 8.169 14.053 1.00 0.00 H new ATOM 0 HD21 LEU A 59 91.940 9.836 14.899 1.00 0.00 H new ATOM 0 HD22 LEU A 59 92.500 9.685 13.217 1.00 0.00 H new ATOM 0 HD23 LEU A 59 90.822 9.268 13.637 1.00 0.00 H new ATOM 929 N SER A 60 90.222 4.202 11.747 1.00 0.00 N ATOM 930 CA SER A 60 89.831 3.534 10.510 1.00 0.00 C ATOM 931 C SER A 60 88.553 4.143 9.945 1.00 0.00 C ATOM 932 O SER A 60 88.103 5.196 10.398 1.00 0.00 O ATOM 933 CB SER A 60 89.635 2.037 10.755 1.00 0.00 C ATOM 934 OG SER A 60 90.264 1.628 11.958 1.00 0.00 O ATOM 0 H SER A 60 89.569 4.074 12.520 1.00 0.00 H new ATOM 0 HA SER A 60 90.630 3.673 9.781 1.00 0.00 H new ATOM 0 HB2 SER A 60 88.570 1.810 10.803 1.00 0.00 H new ATOM 0 HB3 SER A 60 90.044 1.472 9.917 1.00 0.00 H new ATOM 0 HG SER A 60 90.122 0.668 12.091 1.00 0.00 H new ATOM 940 N THR A 61 87.971 3.476 8.953 1.00 0.00 N ATOM 941 CA THR A 61 86.744 3.954 8.329 1.00 0.00 C ATOM 942 C THR A 61 85.605 4.023 9.341 1.00 0.00 C ATOM 943 O THR A 61 85.736 3.549 10.470 1.00 0.00 O ATOM 944 CB THR A 61 86.320 3.052 7.155 1.00 0.00 C ATOM 945 OG1 THR A 61 85.888 1.777 7.647 1.00 0.00 O ATOM 946 CG2 THR A 61 87.469 2.861 6.178 1.00 0.00 C ATOM 0 H THR A 61 88.330 2.604 8.565 1.00 0.00 H new ATOM 0 HA THR A 61 86.951 4.955 7.950 1.00 0.00 H new ATOM 0 HB THR A 61 85.496 3.537 6.632 1.00 0.00 H new ATOM 0 HG1 THR A 61 85.619 1.210 6.894 1.00 0.00 H new ATOM 0 HG21 THR A 61 87.146 2.221 5.357 1.00 0.00 H new ATOM 0 HG22 THR A 61 87.776 3.830 5.783 1.00 0.00 H new ATOM 0 HG23 THR A 61 88.310 2.396 6.692 1.00 0.00 H new ATOM 954 N LEU A 62 84.489 4.613 8.930 1.00 0.00 N ATOM 955 CA LEU A 62 83.328 4.746 9.803 1.00 0.00 C ATOM 956 C LEU A 62 82.449 3.501 9.736 1.00 0.00 C ATOM 957 O LEU A 62 81.847 3.100 10.733 1.00 0.00 O ATOM 958 CB LEU A 62 82.513 5.982 9.417 1.00 0.00 C ATOM 959 CG LEU A 62 83.327 7.265 9.240 1.00 0.00 C ATOM 960 CD1 LEU A 62 82.475 8.356 8.610 1.00 0.00 C ATOM 961 CD2 LEU A 62 83.887 7.728 10.578 1.00 0.00 C ATOM 0 H LEU A 62 84.363 5.007 7.998 1.00 0.00 H new ATOM 0 HA LEU A 62 83.686 4.860 10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 62 81.984 5.774 8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 62 81.756 6.153 10.182 1.00 0.00 H new ATOM 0 HG LEU A 62 84.162 7.054 8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 62 83.071 9.261 8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 62 82.122 8.024 7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 62 81.620 8.566 9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 62 84.464 8.642 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 62 83.066 7.921 11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 62 84.533 6.953 10.990 1.00 0.00 H new ATOM 973 N SER A 63 82.378 2.893 8.557 1.00 0.00 N ATOM 974 CA SER A 63 81.570 1.694 8.364 1.00 0.00 C ATOM 975 C SER A 63 80.101 1.973 8.671 1.00 0.00 C ATOM 976 O SER A 63 79.510 1.348 9.551 1.00 0.00 O ATOM 977 CB SER A 63 82.085 0.560 9.251 1.00 0.00 C ATOM 978 OG SER A 63 83.488 0.648 9.433 1.00 0.00 O ATOM 0 H SER A 63 82.869 3.210 7.721 1.00 0.00 H new ATOM 0 HA SER A 63 81.652 1.393 7.320 1.00 0.00 H new ATOM 0 HB2 SER A 63 81.587 0.598 10.220 1.00 0.00 H new ATOM 0 HB3 SER A 63 81.834 -0.400 8.801 1.00 0.00 H new ATOM 0 HG SER A 63 83.790 -0.088 10.005 1.00 0.00 H new ATOM 984 N HIS A 64 79.518 2.917 7.939 1.00 0.00 N ATOM 985 CA HIS A 64 78.118 3.280 8.135 1.00 0.00 C ATOM 986 C HIS A 64 77.323 3.093 6.846 1.00 0.00 C ATOM 987 O HIS A 64 77.892 2.835 5.785 1.00 0.00 O ATOM 988 CB HIS A 64 78.009 4.730 8.610 1.00 0.00 C ATOM 989 CG HIS A 64 76.861 4.982 9.540 1.00 0.00 C ATOM 990 ND1 HIS A 64 76.051 3.979 10.036 1.00 0.00 N ATOM 991 CD2 HIS A 64 76.388 6.136 10.067 1.00 0.00 C ATOM 992 CE1 HIS A 64 75.133 4.508 10.826 1.00 0.00 C ATOM 993 NE2 HIS A 64 75.316 5.814 10.862 1.00 0.00 N ATOM 0 H HIS A 64 79.992 3.444 7.206 1.00 0.00 H new ATOM 0 HA HIS A 64 77.700 2.623 8.897 1.00 0.00 H new ATOM 0 HB2 HIS A 64 78.936 5.008 9.110 1.00 0.00 H new ATOM 0 HB3 HIS A 64 77.908 5.380 7.741 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.781 7.127 9.894 1.00 0.00 H new ATOM 0 HE1 HIS A 64 74.363 3.963 11.353 1.00 0.00 H new ATOM 0 HE2 HIS A 64 74.752 6.477 11.394 1.00 0.00 H new ATOM 1001 N SER A 65 76.004 3.223 6.945 1.00 0.00 N ATOM 1002 CA SER A 65 75.132 3.067 5.787 1.00 0.00 C ATOM 1003 C SER A 65 74.019 4.110 5.797 1.00 0.00 C ATOM 1004 O SER A 65 72.988 3.926 6.444 1.00 0.00 O ATOM 1005 CB SER A 65 74.528 1.662 5.763 1.00 0.00 C ATOM 1006 OG SER A 65 73.490 1.568 4.803 1.00 0.00 O ATOM 0 H SER A 65 75.516 3.436 7.815 1.00 0.00 H new ATOM 0 HA SER A 65 75.734 3.213 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 65 75.305 0.933 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 65 74.138 1.414 6.750 1.00 0.00 H new ATOM 0 HG SER A 65 73.122 0.660 4.807 1.00 0.00 H new ATOM 1012 N TRP A 66 74.234 5.206 5.077 1.00 0.00 N ATOM 1013 CA TRP A 66 73.247 6.278 5.001 1.00 0.00 C ATOM 1014 C TRP A 66 72.598 6.322 3.621 1.00 0.00 C ATOM 1015 O TRP A 66 71.454 6.752 3.476 1.00 0.00 O ATOM 1016 CB TRP A 66 73.900 7.625 5.319 1.00 0.00 C ATOM 1017 CG TRP A 66 73.118 8.447 6.299 1.00 0.00 C ATOM 1018 CD1 TRP A 66 71.768 8.411 6.505 1.00 0.00 C ATOM 1019 CD2 TRP A 66 73.637 9.428 7.204 1.00 0.00 C ATOM 1020 NE1 TRP A 66 71.417 9.309 7.484 1.00 0.00 N ATOM 1021 CE2 TRP A 66 72.546 9.944 7.929 1.00 0.00 C ATOM 1022 CE3 TRP A 66 74.918 9.918 7.474 1.00 0.00 C ATOM 1023 CZ2 TRP A 66 72.698 10.928 8.904 1.00 0.00 C ATOM 1024 CZ3 TRP A 66 75.067 10.894 8.442 1.00 0.00 C ATOM 1025 CH2 TRP A 66 73.963 11.389 9.147 1.00 0.00 C ATOM 0 H TRP A 66 75.083 5.376 4.538 1.00 0.00 H new ATOM 0 HA TRP A 66 72.471 6.078 5.740 1.00 0.00 H new ATOM 0 HB2 TRP A 66 74.900 7.451 5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 66 74.019 8.190 4.395 1.00 0.00 H new ATOM 0 HD1 TRP A 66 71.078 7.771 5.976 1.00 0.00 H new ATOM 0 HE1 TRP A 66 70.470 9.476 7.824 1.00 0.00 H new ATOM 0 HE3 TRP A 66 75.776 9.541 6.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 71.848 11.313 9.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 76.052 11.281 8.658 1.00 0.00 H new ATOM 0 HH2 TRP A 66 74.113 12.150 9.898 1.00 0.00 H new ATOM 1036 N SER A 67 73.336 5.876 2.610 1.00 0.00 N ATOM 1037 CA SER A 67 72.831 5.863 1.243 1.00 0.00 C ATOM 1038 C SER A 67 73.170 4.547 0.549 1.00 0.00 C ATOM 1039 O SER A 67 72.307 3.687 0.370 1.00 0.00 O ATOM 1040 CB SER A 67 73.413 7.036 0.451 1.00 0.00 C ATOM 1041 OG SER A 67 73.221 6.856 -0.942 1.00 0.00 O ATOM 0 H SER A 67 74.286 5.519 2.712 1.00 0.00 H new ATOM 0 HA SER A 67 71.746 5.962 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 67 72.939 7.965 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 67 74.477 7.131 0.665 1.00 0.00 H new ATOM 0 HG SER A 67 73.600 7.619 -1.426 1.00 0.00 H new ATOM 1047 N GLN A 68 74.432 4.397 0.162 1.00 0.00 N ATOM 1048 CA GLN A 68 74.887 3.186 -0.514 1.00 0.00 C ATOM 1049 C GLN A 68 76.411 3.127 -0.553 1.00 0.00 C ATOM 1050 O GLN A 68 77.005 2.811 -1.583 1.00 0.00 O ATOM 1051 CB GLN A 68 74.324 3.130 -1.936 1.00 0.00 C ATOM 1052 CG GLN A 68 74.102 1.716 -2.448 1.00 0.00 C ATOM 1053 CD GLN A 68 73.863 1.670 -3.944 1.00 0.00 C ATOM 1054 OE1 GLN A 68 72.721 1.676 -4.403 1.00 0.00 O ATOM 1055 NE2 GLN A 68 74.944 1.622 -4.714 1.00 0.00 N ATOM 0 H GLN A 68 75.159 5.098 0.305 1.00 0.00 H new ATOM 0 HA GLN A 68 74.523 2.325 0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 68 73.378 3.670 -1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 68 75.007 3.648 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 68 74.970 1.104 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 68 73.247 1.277 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 68 75.872 1.619 -4.291 1.00 0.00 H new ATOM 0 HE22 GLN A 68 74.846 1.588 -5.729 1.00 0.00 H new ATOM 1064 N VAL A 69 77.038 3.433 0.578 1.00 0.00 N ATOM 1065 CA VAL A 69 78.493 3.417 0.675 1.00 0.00 C ATOM 1066 C VAL A 69 79.018 1.999 0.875 1.00 0.00 C ATOM 1067 O VAL A 69 80.046 1.623 0.311 1.00 0.00 O ATOM 1068 CB VAL A 69 78.990 4.306 1.831 1.00 0.00 C ATOM 1069 CG1 VAL A 69 80.501 4.465 1.770 1.00 0.00 C ATOM 1070 CG2 VAL A 69 78.301 5.662 1.795 1.00 0.00 C ATOM 0 H VAL A 69 76.561 3.695 1.441 1.00 0.00 H new ATOM 0 HA VAL A 69 78.875 3.812 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 69 78.737 3.821 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 69 80.834 5.096 2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 69 80.973 3.486 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 69 80.780 4.927 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 69 78.664 6.277 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 69 78.521 6.157 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 69 77.224 5.526 1.892 1.00 0.00 H new ATOM 1080 N VAL A 70 78.308 1.217 1.682 1.00 0.00 N ATOM 1081 CA VAL A 70 78.707 -0.159 1.955 1.00 0.00 C ATOM 1082 C VAL A 70 78.722 -0.994 0.677 1.00 0.00 C ATOM 1083 O VAL A 70 79.437 -1.991 0.584 1.00 0.00 O ATOM 1084 CB VAL A 70 77.768 -0.825 2.980 1.00 0.00 C ATOM 1085 CG1 VAL A 70 77.838 -0.101 4.315 1.00 0.00 C ATOM 1086 CG2 VAL A 70 76.338 -0.861 2.460 1.00 0.00 C ATOM 0 H VAL A 70 77.455 1.512 2.157 1.00 0.00 H new ATOM 0 HA VAL A 70 79.714 -0.118 2.370 1.00 0.00 H new ATOM 0 HB VAL A 70 78.098 -1.853 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 70 77.169 -0.585 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 70 78.859 -0.137 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.536 0.938 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 70 75.694 -1.335 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.992 0.156 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 70 76.303 -1.430 1.531 1.00 0.00 H new ATOM 1096 N ASP A 71 77.928 -0.580 -0.307 1.00 0.00 N ATOM 1097 CA ASP A 71 77.851 -1.290 -1.578 1.00 0.00 C ATOM 1098 C ASP A 71 79.093 -1.033 -2.426 1.00 0.00 C ATOM 1099 O ASP A 71 79.635 -1.950 -3.043 1.00 0.00 O ATOM 1100 CB ASP A 71 76.598 -0.867 -2.346 1.00 0.00 C ATOM 1101 CG ASP A 71 76.224 -1.854 -3.432 1.00 0.00 C ATOM 1102 OD1 ASP A 71 75.920 -3.018 -3.098 1.00 0.00 O ATOM 1103 OD2 ASP A 71 76.234 -1.465 -4.619 1.00 0.00 O ATOM 0 H ASP A 71 77.329 0.244 -0.247 1.00 0.00 H new ATOM 0 HA ASP A 71 77.797 -2.358 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 71 75.766 -0.765 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 71 76.763 0.114 -2.792 1.00 0.00 H new ATOM 1108 N VAL A 72 79.541 0.218 -2.453 1.00 0.00 N ATOM 1109 CA VAL A 72 80.718 0.591 -3.228 1.00 0.00 C ATOM 1110 C VAL A 72 82.004 0.156 -2.530 1.00 0.00 C ATOM 1111 O VAL A 72 83.025 -0.075 -3.178 1.00 0.00 O ATOM 1112 CB VAL A 72 80.771 2.109 -3.478 1.00 0.00 C ATOM 1113 CG1 VAL A 72 79.705 2.524 -4.480 1.00 0.00 C ATOM 1114 CG2 VAL A 72 80.612 2.872 -2.172 1.00 0.00 C ATOM 0 H VAL A 72 79.107 0.990 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 72 80.638 0.075 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 72 81.746 2.355 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 72 79.759 3.600 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 72 79.871 2.005 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 72 78.720 2.265 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 72 80.652 3.943 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 72 79.653 2.622 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 72 81.417 2.598 -1.490 1.00 0.00 H new ATOM 1124 N SER A 73 81.948 0.045 -1.206 1.00 0.00 N ATOM 1125 CA SER A 73 83.111 -0.363 -0.423 1.00 0.00 C ATOM 1126 C SER A 73 83.647 -1.712 -0.893 1.00 0.00 C ATOM 1127 O SER A 73 84.830 -2.011 -0.730 1.00 0.00 O ATOM 1128 CB SER A 73 82.751 -0.434 1.062 1.00 0.00 C ATOM 1129 OG SER A 73 82.621 0.862 1.620 1.00 0.00 O ATOM 0 H SER A 73 81.111 0.231 -0.653 1.00 0.00 H new ATOM 0 HA SER A 73 83.892 0.384 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 73 81.817 -0.982 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 73 83.520 -0.989 1.599 1.00 0.00 H new ATOM 0 HG SER A 73 81.800 1.280 1.287 1.00 0.00 H new ATOM 1135 N GLU A 74 82.770 -2.525 -1.476 1.00 0.00 N ATOM 1136 CA GLU A 74 83.158 -3.843 -1.968 1.00 0.00 C ATOM 1137 C GLU A 74 84.282 -3.742 -2.996 1.00 0.00 C ATOM 1138 O GLU A 74 85.024 -4.701 -3.210 1.00 0.00 O ATOM 1139 CB GLU A 74 81.951 -4.556 -2.583 1.00 0.00 C ATOM 1140 CG GLU A 74 80.831 -4.823 -1.592 1.00 0.00 C ATOM 1141 CD GLU A 74 79.673 -5.581 -2.211 1.00 0.00 C ATOM 1142 OE1 GLU A 74 78.863 -4.950 -2.922 1.00 0.00 O ATOM 1143 OE2 GLU A 74 79.578 -6.806 -1.987 1.00 0.00 O ATOM 0 H GLU A 74 81.787 -2.294 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 74 83.524 -4.422 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 74 81.562 -3.952 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 74 82.279 -5.503 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 74 81.224 -5.392 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 74 80.469 -3.875 -1.195 1.00 0.00 H new ATOM 1150 N VAL A 75 84.403 -2.579 -3.631 1.00 0.00 N ATOM 1151 CA VAL A 75 85.440 -2.363 -4.636 1.00 0.00 C ATOM 1152 C VAL A 75 86.826 -2.668 -4.074 1.00 0.00 C ATOM 1153 O VAL A 75 87.685 -3.206 -4.772 1.00 0.00 O ATOM 1154 CB VAL A 75 85.414 -0.916 -5.168 1.00 0.00 C ATOM 1155 CG1 VAL A 75 85.674 0.075 -4.043 1.00 0.00 C ATOM 1156 CG2 VAL A 75 86.425 -0.738 -6.291 1.00 0.00 C ATOM 0 H VAL A 75 83.798 -1.774 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 75 85.231 -3.046 -5.459 1.00 0.00 H new ATOM 0 HB VAL A 75 84.421 -0.718 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 75 85.651 1.090 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 75 84.905 -0.033 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 75 86.652 -0.121 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 75 86.390 0.290 -6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 75 87.425 -0.958 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 75 86.184 -1.418 -7.108 1.00 0.00 H new ATOM 1166 N LEU A 76 87.036 -2.320 -2.808 1.00 0.00 N ATOM 1167 CA LEU A 76 88.317 -2.560 -2.151 1.00 0.00 C ATOM 1168 C LEU A 76 88.585 -4.055 -2.015 1.00 0.00 C ATOM 1169 O LEU A 76 89.734 -4.496 -2.041 1.00 0.00 O ATOM 1170 CB LEU A 76 88.334 -1.899 -0.772 1.00 0.00 C ATOM 1171 CG LEU A 76 89.667 -1.267 -0.371 1.00 0.00 C ATOM 1172 CD1 LEU A 76 89.595 -0.719 1.046 1.00 0.00 C ATOM 1173 CD2 LEU A 76 90.796 -2.279 -0.496 1.00 0.00 C ATOM 0 H LEU A 76 86.336 -1.871 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 76 89.103 -2.123 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 76 87.563 -1.129 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 76 88.065 -2.646 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 76 89.871 -0.438 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.553 -0.273 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 76 88.814 0.039 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 76 89.366 -1.529 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 76 91.737 -1.812 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.597 -3.129 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 76 90.864 -2.623 -1.528 1.00 0.00 H new ATOM 1185 N ARG A 77 87.517 -4.832 -1.868 1.00 0.00 N ATOM 1186 CA ARG A 77 87.636 -6.279 -1.727 1.00 0.00 C ATOM 1187 C ARG A 77 88.133 -6.913 -3.023 1.00 0.00 C ATOM 1188 O ARG A 77 89.121 -7.648 -3.027 1.00 0.00 O ATOM 1189 CB ARG A 77 86.288 -6.886 -1.334 1.00 0.00 C ATOM 1190 CG ARG A 77 85.600 -6.155 -0.191 1.00 0.00 C ATOM 1191 CD ARG A 77 86.511 -6.026 1.021 1.00 0.00 C ATOM 1192 NE ARG A 77 85.825 -6.376 2.261 1.00 0.00 N ATOM 1193 CZ ARG A 77 86.249 -6.014 3.470 1.00 0.00 C ATOM 1194 NH1 ARG A 77 87.354 -5.293 3.605 1.00 0.00 N ATOM 1195 NH2 ARG A 77 85.565 -6.374 4.548 1.00 0.00 N ATOM 0 H ARG A 77 86.559 -4.484 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 77 88.363 -6.484 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 77 85.631 -6.883 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 77 86.437 -7.928 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 77 85.294 -5.163 -0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 77 84.693 -6.690 0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 77 87.379 -6.672 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 77 86.882 -5.003 1.088 1.00 0.00 H new ATOM 0 HE ARG A 77 84.971 -6.930 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 77 87.884 -5.013 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 77 87.674 -5.019 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 77 84.714 -6.928 4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 77 85.890 -6.097 5.474 1.00 0.00 H new ATOM 1209 N ASP A 78 87.441 -6.622 -4.120 1.00 0.00 N ATOM 1210 CA ASP A 78 87.810 -7.165 -5.423 1.00 0.00 C ATOM 1211 C ASP A 78 89.214 -6.722 -5.822 1.00 0.00 C ATOM 1212 O ASP A 78 90.160 -7.508 -5.775 1.00 0.00 O ATOM 1213 CB ASP A 78 86.802 -6.722 -6.485 1.00 0.00 C ATOM 1214 CG ASP A 78 85.459 -7.409 -6.330 1.00 0.00 C ATOM 1215 OD1 ASP A 78 85.420 -8.655 -6.400 1.00 0.00 O ATOM 1216 OD2 ASP A 78 84.449 -6.702 -6.139 1.00 0.00 O ATOM 0 H ASP A 78 86.622 -6.014 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 78 87.800 -8.253 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 78 86.664 -5.643 -6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 78 87.204 -6.936 -7.475 1.00 0.00 H new ATOM 1221 N GLY A 79 89.343 -5.458 -6.213 1.00 0.00 N ATOM 1222 CA GLY A 79 90.637 -4.935 -6.614 1.00 0.00 C ATOM 1223 C GLY A 79 90.557 -4.095 -7.875 1.00 0.00 C ATOM 1224 O GLY A 79 91.038 -4.504 -8.932 1.00 0.00 O ATOM 0 H GLY A 79 88.576 -4.787 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.048 -4.332 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.326 -5.764 -6.776 1.00 0.00 H new ATOM 1228 N THR A 80 89.947 -2.919 -7.763 1.00 0.00 N ATOM 1229 CA THR A 80 89.804 -2.019 -8.901 1.00 0.00 C ATOM 1230 C THR A 80 89.808 -0.558 -8.450 1.00 0.00 C ATOM 1231 O THR A 80 88.801 -0.054 -7.953 1.00 0.00 O ATOM 1232 CB THR A 80 88.506 -2.303 -9.680 1.00 0.00 C ATOM 1233 OG1 THR A 80 87.493 -2.783 -8.787 1.00 0.00 O ATOM 1234 CG2 THR A 80 88.747 -3.328 -10.778 1.00 0.00 C ATOM 0 H THR A 80 89.544 -2.567 -6.895 1.00 0.00 H new ATOM 0 HA THR A 80 90.657 -2.196 -9.556 1.00 0.00 H new ATOM 0 HB THR A 80 88.174 -1.372 -10.140 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.671 -2.959 -9.290 1.00 0.00 H new ATOM 0 HG21 THR A 80 87.816 -3.512 -11.314 1.00 0.00 H new ATOM 0 HG22 THR A 80 89.497 -2.948 -11.472 1.00 0.00 H new ATOM 0 HG23 THR A 80 89.101 -4.259 -10.335 1.00 0.00 H new ATOM 1242 N PRO A 81 90.947 0.141 -8.616 1.00 0.00 N ATOM 1243 CA PRO A 81 91.076 1.548 -8.217 1.00 0.00 C ATOM 1244 C PRO A 81 89.968 2.426 -8.789 1.00 0.00 C ATOM 1245 O PRO A 81 89.907 2.662 -9.996 1.00 0.00 O ATOM 1246 CB PRO A 81 92.434 1.960 -8.792 1.00 0.00 C ATOM 1247 CG PRO A 81 93.204 0.689 -8.894 1.00 0.00 C ATOM 1248 CD PRO A 81 92.195 -0.381 -9.204 1.00 0.00 C ATOM 0 HA PRO A 81 90.999 1.668 -7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 81 92.323 2.435 -9.767 1.00 0.00 H new ATOM 0 HB3 PRO A 81 92.937 2.677 -8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 81 93.959 0.752 -9.677 1.00 0.00 H new ATOM 0 HG3 PRO A 81 93.728 0.474 -7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 81 92.097 -0.541 -10.278 1.00 0.00 H new ATOM 0 HD3 PRO A 81 92.477 -1.338 -8.764 1.00 0.00 H new ATOM 1256 N ARG A 82 89.094 2.909 -7.912 1.00 0.00 N ATOM 1257 CA ARG A 82 87.987 3.771 -8.319 1.00 0.00 C ATOM 1258 C ARG A 82 87.622 4.734 -7.193 1.00 0.00 C ATOM 1259 O ARG A 82 87.712 4.384 -6.017 1.00 0.00 O ATOM 1260 CB ARG A 82 86.769 2.928 -8.703 1.00 0.00 C ATOM 1261 CG ARG A 82 86.815 2.407 -10.131 1.00 0.00 C ATOM 1262 CD ARG A 82 86.763 0.886 -10.180 1.00 0.00 C ATOM 1263 NE ARG A 82 85.539 0.398 -10.811 1.00 0.00 N ATOM 1264 CZ ARG A 82 85.359 0.333 -12.128 1.00 0.00 C ATOM 1265 NH1 ARG A 82 86.318 0.729 -12.957 1.00 0.00 N ATOM 1266 NH2 ARG A 82 84.217 -0.129 -12.618 1.00 0.00 N ATOM 0 H ARG A 82 89.130 2.718 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 82 88.302 4.349 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.692 2.083 -8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.867 3.527 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 82 85.977 2.818 -10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 82 87.727 2.755 -10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 82 87.627 0.512 -10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 82 86.832 0.489 -9.167 1.00 0.00 H new ATOM 0 HE ARG A 82 84.778 0.089 -10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 82 87.198 1.085 -12.585 1.00 0.00 H new ATOM 0 HH12 ARG A 82 86.174 0.677 -13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 82 83.477 -0.434 -11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 82 84.078 -0.179 -13.627 1.00 0.00 H new ATOM 1280 N ARG A 83 87.208 5.945 -7.552 1.00 0.00 N ATOM 1281 CA ARG A 83 86.842 6.943 -6.552 1.00 0.00 C ATOM 1282 C ARG A 83 85.357 7.292 -6.622 1.00 0.00 C ATOM 1283 O ARG A 83 84.934 8.096 -7.452 1.00 0.00 O ATOM 1284 CB ARG A 83 87.680 8.208 -6.736 1.00 0.00 C ATOM 1285 CG ARG A 83 87.530 9.209 -5.601 1.00 0.00 C ATOM 1286 CD ARG A 83 87.304 10.619 -6.123 1.00 0.00 C ATOM 1287 NE ARG A 83 88.520 11.198 -6.689 1.00 0.00 N ATOM 1288 CZ ARG A 83 89.524 11.675 -5.956 1.00 0.00 C ATOM 1289 NH1 ARG A 83 89.462 11.643 -4.631 1.00 0.00 N ATOM 1290 NH2 ARG A 83 90.593 12.188 -6.551 1.00 0.00 N ATOM 0 H ARG A 83 87.118 6.258 -8.519 1.00 0.00 H new ATOM 0 HA ARG A 83 87.042 6.514 -5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 83 88.730 7.928 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 83 87.397 8.688 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 83 86.693 8.917 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 83 88.424 9.190 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 83 86.523 10.603 -6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 83 86.945 11.252 -5.311 1.00 0.00 H new ATOM 0 HE ARG A 83 88.605 11.239 -7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 83 88.642 11.251 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 83 90.235 12.010 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 83 90.645 12.217 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 83 91.363 12.554 -5.990 1.00 0.00 H new ATOM 1304 N ASP A 84 84.576 6.676 -5.742 1.00 0.00 N ATOM 1305 CA ASP A 84 83.140 6.924 -5.669 1.00 0.00 C ATOM 1306 C ASP A 84 82.649 6.689 -4.247 1.00 0.00 C ATOM 1307 O ASP A 84 82.409 5.550 -3.849 1.00 0.00 O ATOM 1308 CB ASP A 84 82.395 6.003 -6.629 1.00 0.00 C ATOM 1309 CG ASP A 84 82.202 6.625 -7.998 1.00 0.00 C ATOM 1310 OD1 ASP A 84 83.178 6.661 -8.777 1.00 0.00 O ATOM 1311 OD2 ASP A 84 81.076 7.080 -8.290 1.00 0.00 O ATOM 0 H ASP A 84 84.917 5.995 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 84 82.947 7.959 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 84 82.947 5.069 -6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 84 81.422 5.754 -6.206 1.00 0.00 H new ATOM 1316 N GLU A 85 82.500 7.762 -3.479 1.00 0.00 N ATOM 1317 CA GLU A 85 82.063 7.632 -2.095 1.00 0.00 C ATOM 1318 C GLU A 85 81.309 8.868 -1.616 1.00 0.00 C ATOM 1319 O GLU A 85 81.558 9.983 -2.077 1.00 0.00 O ATOM 1320 CB GLU A 85 83.267 7.372 -1.181 1.00 0.00 C ATOM 1321 CG GLU A 85 84.476 6.778 -1.896 1.00 0.00 C ATOM 1322 CD GLU A 85 85.782 7.106 -1.204 1.00 0.00 C ATOM 1323 OE1 GLU A 85 85.974 6.659 -0.053 1.00 0.00 O ATOM 1324 OE2 GLU A 85 86.614 7.810 -1.814 1.00 0.00 O ATOM 0 H GLU A 85 82.673 8.719 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 85 81.378 6.785 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 85 83.562 8.310 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 85 82.963 6.696 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 85 84.363 5.696 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 85 84.508 7.152 -2.919 1.00 0.00 H new ATOM 1331 N GLU A 86 80.386 8.656 -0.685 1.00 0.00 N ATOM 1332 CA GLU A 86 79.603 9.745 -0.111 1.00 0.00 C ATOM 1333 C GLU A 86 79.292 9.476 1.337 1.00 0.00 C ATOM 1334 O GLU A 86 78.329 8.794 1.693 1.00 0.00 O ATOM 1335 CB GLU A 86 78.303 9.938 -0.897 1.00 0.00 C ATOM 1336 CG GLU A 86 77.372 10.978 -0.291 1.00 0.00 C ATOM 1337 CD GLU A 86 76.446 11.602 -1.319 1.00 0.00 C ATOM 1338 OE1 GLU A 86 75.517 10.906 -1.780 1.00 0.00 O ATOM 1339 OE2 GLU A 86 76.649 12.786 -1.661 1.00 0.00 O ATOM 0 H GLU A 86 80.160 7.735 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 86 80.196 10.658 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 86 78.546 10.232 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 86 77.779 8.984 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 86 76.776 10.513 0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 86 77.966 11.761 0.180 1.00 0.00 H new ATOM 1346 N ILE A 87 80.147 10.039 2.150 1.00 0.00 N ATOM 1347 CA ILE A 87 79.990 10.055 3.571 1.00 0.00 C ATOM 1348 C ILE A 87 79.980 11.525 3.831 1.00 0.00 C ATOM 1349 O ILE A 87 81.028 12.151 3.964 1.00 0.00 O ATOM 1350 CB ILE A 87 81.159 9.365 4.313 1.00 0.00 C ATOM 1351 CG1 ILE A 87 80.978 7.846 4.287 1.00 0.00 C ATOM 1352 CG2 ILE A 87 81.270 9.865 5.749 1.00 0.00 C ATOM 1353 CD1 ILE A 87 82.220 7.083 4.691 1.00 0.00 C ATOM 0 H ILE A 87 80.992 10.510 1.828 1.00 0.00 H new ATOM 0 HA ILE A 87 79.110 9.514 3.920 1.00 0.00 H new ATOM 0 HB ILE A 87 82.086 9.618 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 87 80.161 7.574 4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 87 80.684 7.540 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 87 82.100 9.363 6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.446 10.941 5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 87 80.344 9.649 6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 87 82.019 6.013 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.034 7.326 4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.503 7.360 5.707 1.00 0.00 H new ATOM 1365 N THR A 88 78.799 12.083 3.890 1.00 0.00 N ATOM 1366 CA THR A 88 78.688 13.509 4.013 1.00 0.00 C ATOM 1367 C THR A 88 78.299 13.931 5.425 1.00 0.00 C ATOM 1368 O THR A 88 77.118 14.057 5.749 1.00 0.00 O ATOM 1369 CB THR A 88 77.705 14.077 2.965 1.00 0.00 C ATOM 1370 OG1 THR A 88 76.924 15.142 3.521 1.00 0.00 O ATOM 1371 CG2 THR A 88 76.791 12.998 2.418 1.00 0.00 C ATOM 0 H THR A 88 77.913 11.579 3.855 1.00 0.00 H new ATOM 0 HA THR A 88 79.673 13.931 3.816 1.00 0.00 H new ATOM 0 HB THR A 88 78.302 14.469 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 88 76.389 14.800 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 88 76.113 13.433 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 88 77.389 12.220 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 88 76.212 12.564 3.233 1.00 0.00 H new ATOM 1379 N ILE A 89 79.311 14.146 6.262 1.00 0.00 N ATOM 1380 CA ILE A 89 79.099 14.543 7.650 1.00 0.00 C ATOM 1381 C ILE A 89 78.158 15.742 7.758 1.00 0.00 C ATOM 1382 O ILE A 89 77.485 15.923 8.773 1.00 0.00 O ATOM 1383 CB ILE A 89 80.438 14.879 8.342 1.00 0.00 C ATOM 1384 CG1 ILE A 89 81.071 16.129 7.721 1.00 0.00 C ATOM 1385 CG2 ILE A 89 81.391 13.695 8.246 1.00 0.00 C ATOM 1386 CD1 ILE A 89 81.310 17.242 8.717 1.00 0.00 C ATOM 0 H ILE A 89 80.292 14.051 6.000 1.00 0.00 H new ATOM 0 HA ILE A 89 78.638 13.693 8.153 1.00 0.00 H new ATOM 0 HB ILE A 89 80.241 15.085 9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 89 82.020 15.855 7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 89 80.424 16.497 6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 89 82.331 13.944 8.737 1.00 0.00 H new ATOM 0 HG22 ILE A 89 80.945 12.828 8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 89 81.580 13.464 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 89 81.760 18.095 8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 89 80.361 17.543 9.161 1.00 0.00 H new ATOM 0 HD13 ILE A 89 81.982 16.891 9.500 1.00 0.00 H new ATOM 1398 N LYS A 90 78.116 16.556 6.708 1.00 0.00 N ATOM 1399 CA LYS A 90 77.254 17.733 6.689 1.00 0.00 C ATOM 1400 C LYS A 90 77.095 18.262 5.267 1.00 0.00 C ATOM 1401 O LYS A 90 77.629 19.316 4.919 1.00 0.00 O ATOM 1402 CB LYS A 90 77.824 18.822 7.603 1.00 0.00 C ATOM 1403 CG LYS A 90 76.809 19.378 8.588 1.00 0.00 C ATOM 1404 CD LYS A 90 76.624 18.450 9.777 1.00 0.00 C ATOM 1405 CE LYS A 90 76.246 19.220 11.032 1.00 0.00 C ATOM 1406 NZ LYS A 90 74.779 19.183 11.285 1.00 0.00 N ATOM 0 H LYS A 90 78.668 16.423 5.860 1.00 0.00 H new ATOM 0 HA LYS A 90 76.270 17.445 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 90 78.670 18.415 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 90 78.207 19.637 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 90 77.137 20.357 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 90 75.853 19.522 8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 90 75.849 17.718 9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 90 77.545 17.895 9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 90 76.773 18.799 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 90 76.572 20.256 10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 74.562 19.719 12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 74.277 19.607 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 74.472 18.196 11.404 1.00 0.00 H new ATOM 1420 N ASP A 91 76.358 17.520 4.446 1.00 0.00 N ATOM 1421 CA ASP A 91 76.131 17.907 3.059 1.00 0.00 C ATOM 1422 C ASP A 91 77.449 17.994 2.292 1.00 0.00 C ATOM 1423 O ASP A 91 77.525 18.622 1.236 1.00 0.00 O ATOM 1424 CB ASP A 91 75.400 19.248 2.993 1.00 0.00 C ATOM 1425 CG ASP A 91 74.177 19.284 3.889 1.00 0.00 C ATOM 1426 OD1 ASP A 91 73.259 18.463 3.675 1.00 0.00 O ATOM 1427 OD2 ASP A 91 74.136 20.132 4.805 1.00 0.00 O ATOM 0 H ASP A 91 75.908 16.646 4.718 1.00 0.00 H new ATOM 0 HA ASP A 91 75.511 17.140 2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 91 76.083 20.046 3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 91 75.099 19.445 1.964 1.00 0.00 H new ATOM 1432 N ARG A 92 78.486 17.359 2.833 1.00 0.00 N ATOM 1433 CA ARG A 92 79.800 17.357 2.204 1.00 0.00 C ATOM 1434 C ARG A 92 80.278 15.926 1.998 1.00 0.00 C ATOM 1435 O ARG A 92 81.088 15.412 2.770 1.00 0.00 O ATOM 1436 CB ARG A 92 80.802 18.134 3.063 1.00 0.00 C ATOM 1437 CG ARG A 92 81.694 19.071 2.265 1.00 0.00 C ATOM 1438 CD ARG A 92 81.988 20.350 3.033 1.00 0.00 C ATOM 1439 NE ARG A 92 83.384 20.760 2.901 1.00 0.00 N ATOM 1440 CZ ARG A 92 84.406 20.101 3.444 1.00 0.00 C ATOM 1441 NH1 ARG A 92 84.192 18.998 4.152 1.00 0.00 N ATOM 1442 NH2 ARG A 92 85.644 20.544 3.276 1.00 0.00 N ATOM 0 H ARG A 92 78.439 16.838 3.709 1.00 0.00 H new ATOM 0 HA ARG A 92 79.725 17.845 1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 92 80.256 18.713 3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 92 81.428 17.426 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 92 82.630 18.567 2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 92 81.212 19.316 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 92 81.340 21.148 2.670 1.00 0.00 H new ATOM 0 HD3 ARG A 92 81.752 20.202 4.087 1.00 0.00 H new ATOM 0 HE ARG A 92 83.588 21.601 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 92 83.241 18.652 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 92 84.978 18.497 4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 92 85.814 21.389 2.731 1.00 0.00 H new ATOM 0 HH22 ARG A 92 86.427 20.040 3.692 1.00 0.00 H new ATOM 1456 N LEU A 93 79.769 15.284 0.949 1.00 0.00 N ATOM 1457 CA LEU A 93 80.127 13.903 0.644 1.00 0.00 C ATOM 1458 C LEU A 93 81.644 13.704 0.710 1.00 0.00 C ATOM 1459 O LEU A 93 82.397 14.421 0.051 1.00 0.00 O ATOM 1460 CB LEU A 93 79.617 13.523 -0.748 1.00 0.00 C ATOM 1461 CG LEU A 93 79.961 14.519 -1.860 1.00 0.00 C ATOM 1462 CD1 LEU A 93 80.379 13.785 -3.125 1.00 0.00 C ATOM 1463 CD2 LEU A 93 78.778 15.436 -2.140 1.00 0.00 C ATOM 0 H LEU A 93 79.106 15.700 0.295 1.00 0.00 H new ATOM 0 HA LEU A 93 79.660 13.259 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 93 80.027 12.549 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 93 78.534 13.412 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 93 80.799 15.131 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 93 80.619 14.509 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 93 81.256 13.172 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 93 79.562 13.147 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 93 79.040 16.137 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 93 77.921 14.839 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 93 78.525 15.989 -1.236 1.00 0.00 H new ATOM 1475 N LEU A 94 82.090 12.735 1.504 1.00 0.00 N ATOM 1476 CA LEU A 94 83.518 12.456 1.634 1.00 0.00 C ATOM 1477 C LEU A 94 83.920 11.275 0.764 1.00 0.00 C ATOM 1478 O LEU A 94 83.162 10.317 0.605 1.00 0.00 O ATOM 1479 CB LEU A 94 83.896 12.154 3.089 1.00 0.00 C ATOM 1480 CG LEU A 94 83.498 13.223 4.110 1.00 0.00 C ATOM 1481 CD1 LEU A 94 83.201 12.588 5.464 1.00 0.00 C ATOM 1482 CD2 LEU A 94 84.596 14.270 4.236 1.00 0.00 C ATOM 0 H LEU A 94 81.488 12.132 2.065 1.00 0.00 H new ATOM 0 HA LEU A 94 84.050 13.349 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 94 83.433 11.211 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 94 84.975 12.009 3.143 1.00 0.00 H new ATOM 0 HG LEU A 94 82.591 13.716 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.920 13.364 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 94 82.382 11.877 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 94 84.089 12.069 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.298 15.023 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 94 85.519 13.792 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.758 14.746 3.269 1.00 0.00 H new ATOM 1494 N LEU A 95 85.118 11.353 0.201 1.00 0.00 N ATOM 1495 CA LEU A 95 85.634 10.286 -0.642 1.00 0.00 C ATOM 1496 C LEU A 95 87.122 10.087 -0.388 1.00 0.00 C ATOM 1497 O LEU A 95 87.955 10.882 -0.823 1.00 0.00 O ATOM 1498 CB LEU A 95 85.374 10.564 -2.131 1.00 0.00 C ATOM 1499 CG LEU A 95 85.289 12.040 -2.542 1.00 0.00 C ATOM 1500 CD1 LEU A 95 84.073 12.710 -1.919 1.00 0.00 C ATOM 1501 CD2 LEU A 95 86.565 12.779 -2.164 1.00 0.00 C ATOM 0 H LEU A 95 85.750 12.145 0.314 1.00 0.00 H new ATOM 0 HA LEU A 95 85.104 9.370 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 95 86.168 10.093 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 95 84.441 10.076 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 95 85.178 12.082 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 95 84.036 13.755 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 95 83.168 12.202 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 95 84.143 12.653 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 95 86.483 13.824 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 95 86.712 12.722 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 95 87.414 12.321 -2.671 1.00 0.00 H new ATOM 1513 N ILE A 96 87.442 9.014 0.321 1.00 0.00 N ATOM 1514 CA ILE A 96 88.821 8.694 0.652 1.00 0.00 C ATOM 1515 C ILE A 96 89.366 7.641 -0.308 1.00 0.00 C ATOM 1516 O ILE A 96 88.617 6.807 -0.818 1.00 0.00 O ATOM 1517 CB ILE A 96 88.935 8.194 2.110 1.00 0.00 C ATOM 1518 CG1 ILE A 96 88.509 9.297 3.090 1.00 0.00 C ATOM 1519 CG2 ILE A 96 90.356 7.735 2.412 1.00 0.00 C ATOM 1520 CD1 ILE A 96 87.049 9.699 2.979 1.00 0.00 C ATOM 0 H ILE A 96 86.759 8.347 0.680 1.00 0.00 H new ATOM 0 HA ILE A 96 89.414 9.603 0.553 1.00 0.00 H new ATOM 0 HB ILE A 96 88.266 7.342 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.705 8.959 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.130 10.177 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 96 90.415 7.387 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 96 90.626 6.922 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 96 91.045 8.568 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 96 86.831 10.482 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 96 86.849 10.070 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 96 86.417 8.833 3.178 1.00 0.00 H new ATOM 1532 N ASN A 97 90.671 7.678 -0.550 1.00 0.00 N ATOM 1533 CA ASN A 97 91.297 6.740 -1.475 1.00 0.00 C ATOM 1534 C ASN A 97 91.956 5.578 -0.745 1.00 0.00 C ATOM 1535 O ASN A 97 92.939 5.753 -0.025 1.00 0.00 O ATOM 1536 CB ASN A 97 92.333 7.464 -2.337 1.00 0.00 C ATOM 1537 CG ASN A 97 91.726 8.594 -3.145 1.00 0.00 C ATOM 1538 OD1 ASN A 97 91.384 8.423 -4.315 1.00 0.00 O ATOM 1539 ND2 ASN A 97 91.588 9.758 -2.521 1.00 0.00 N ATOM 0 H ASN A 97 91.314 8.344 -0.121 1.00 0.00 H new ATOM 0 HA ASN A 97 90.511 6.332 -2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 97 93.120 7.861 -1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 97 92.802 6.749 -3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 97 91.185 10.556 -3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 97 91.885 9.855 -1.550 1.00 0.00 H new ATOM 1546 N THR A 98 91.401 4.387 -0.943 1.00 0.00 N ATOM 1547 CA THR A 98 91.924 3.176 -0.329 1.00 0.00 C ATOM 1548 C THR A 98 91.962 2.044 -1.350 1.00 0.00 C ATOM 1549 O THR A 98 90.946 1.408 -1.623 1.00 0.00 O ATOM 1550 CB THR A 98 91.072 2.737 0.877 1.00 0.00 C ATOM 1551 OG1 THR A 98 89.739 2.432 0.449 1.00 0.00 O ATOM 1552 CG2 THR A 98 91.029 3.827 1.939 1.00 0.00 C ATOM 0 H THR A 98 90.581 4.236 -1.530 1.00 0.00 H new ATOM 0 HA THR A 98 92.932 3.397 0.022 1.00 0.00 H new ATOM 0 HB THR A 98 91.530 1.848 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 98 89.773 1.829 -0.322 1.00 0.00 H new ATOM 0 HG21 THR A 98 90.421 3.492 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 98 92.041 4.039 2.284 1.00 0.00 H new ATOM 0 HG23 THR A 98 90.594 4.732 1.514 1.00 0.00 H new ATOM 1560 N VAL A 99 93.141 1.798 -1.912 1.00 0.00 N ATOM 1561 CA VAL A 99 93.304 0.751 -2.914 1.00 0.00 C ATOM 1562 C VAL A 99 93.987 -0.481 -2.330 1.00 0.00 C ATOM 1563 O VAL A 99 94.787 -0.374 -1.401 1.00 0.00 O ATOM 1564 CB VAL A 99 94.121 1.252 -4.120 1.00 0.00 C ATOM 1565 CG1 VAL A 99 93.323 2.267 -4.922 1.00 0.00 C ATOM 1566 CG2 VAL A 99 95.445 1.844 -3.659 1.00 0.00 C ATOM 0 H VAL A 99 93.996 2.308 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 99 92.302 0.479 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 99 94.336 0.403 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 99 93.917 2.609 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 99 92.406 1.804 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 99 93.073 3.117 -4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 99 96.009 2.193 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.255 2.682 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 99 96.021 1.082 -3.134 1.00 0.00 H new ATOM 1576 N PRO A 100 93.679 -1.672 -2.874 1.00 0.00 N ATOM 1577 CA PRO A 100 94.259 -2.926 -2.422 1.00 0.00 C ATOM 1578 C PRO A 100 95.424 -3.376 -3.298 1.00 0.00 C ATOM 1579 O PRO A 100 95.445 -3.115 -4.501 1.00 0.00 O ATOM 1580 CB PRO A 100 93.081 -3.880 -2.584 1.00 0.00 C ATOM 1581 CG PRO A 100 92.355 -3.378 -3.797 1.00 0.00 C ATOM 1582 CD PRO A 100 92.696 -1.908 -3.945 1.00 0.00 C ATOM 0 HA PRO A 100 94.673 -2.867 -1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 100 93.418 -4.908 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 100 92.438 -3.870 -1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 100 92.657 -3.935 -4.684 1.00 0.00 H new ATOM 0 HG3 PRO A 100 91.279 -3.514 -3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 100 93.114 -1.690 -4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 100 91.815 -1.278 -3.826 1.00 0.00 H new ATOM 1590 N VAL A 101 96.394 -4.052 -2.687 1.00 0.00 N ATOM 1591 CA VAL A 101 97.566 -4.535 -3.410 1.00 0.00 C ATOM 1592 C VAL A 101 97.165 -5.340 -4.644 1.00 0.00 C ATOM 1593 O VAL A 101 96.324 -6.237 -4.566 1.00 0.00 O ATOM 1594 CB VAL A 101 98.462 -5.409 -2.512 1.00 0.00 C ATOM 1595 CG1 VAL A 101 99.207 -4.549 -1.502 1.00 0.00 C ATOM 1596 CG2 VAL A 101 97.636 -6.474 -1.808 1.00 0.00 C ATOM 0 H VAL A 101 96.391 -4.277 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 101 98.125 -3.653 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 101 99.197 -5.909 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 101 99.835 -5.184 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 101 99.831 -3.827 -2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 101 98.489 -4.019 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 101 98.286 -7.081 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 101 96.876 -5.996 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 101 97.153 -7.109 -2.550 1.00 0.00 H new ATOM 1606 N ARG A 102 97.773 -5.014 -5.779 1.00 0.00 N ATOM 1607 CA ARG A 102 97.480 -5.702 -7.030 1.00 0.00 C ATOM 1608 C ARG A 102 98.272 -7.003 -7.138 1.00 0.00 C ATOM 1609 O ARG A 102 99.251 -7.086 -7.881 1.00 0.00 O ATOM 1610 CB ARG A 102 97.800 -4.795 -8.221 1.00 0.00 C ATOM 1611 CG ARG A 102 97.359 -5.367 -9.559 1.00 0.00 C ATOM 1612 CD ARG A 102 98.482 -5.320 -10.584 1.00 0.00 C ATOM 1613 NE ARG A 102 99.012 -3.970 -10.755 1.00 0.00 N ATOM 1614 CZ ARG A 102 99.867 -3.625 -11.715 1.00 0.00 C ATOM 1615 NH1 ARG A 102 100.286 -4.527 -12.595 1.00 0.00 N ATOM 1616 NH2 ARG A 102 100.304 -2.376 -11.797 1.00 0.00 N ATOM 0 H ARG A 102 98.473 -4.276 -5.858 1.00 0.00 H new ATOM 0 HA ARG A 102 96.418 -5.945 -7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 102 97.317 -3.829 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 102 98.874 -4.613 -8.250 1.00 0.00 H new ATOM 0 HG2 ARG A 102 97.031 -6.398 -9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 102 96.502 -4.806 -9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 102 99.285 -5.988 -10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 102 98.114 -5.689 -11.542 1.00 0.00 H new ATOM 0 HE ARG A 102 98.709 -3.249 -10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 102 99.953 -5.489 -12.537 1.00 0.00 H new ATOM 0 HH12 ARG A 102 100.941 -4.258 -13.329 1.00 0.00 H new ATOM 0 HH21 ARG A 102 99.985 -1.679 -11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 102 100.959 -2.112 -12.533 1.00 0.00 H new ATOM 1630 N SER A 103 97.844 -8.016 -6.392 1.00 0.00 N ATOM 1631 CA SER A 103 98.514 -9.312 -6.405 1.00 0.00 C ATOM 1632 C SER A 103 98.026 -10.162 -7.574 1.00 0.00 C ATOM 1633 O SER A 103 96.993 -9.871 -8.178 1.00 0.00 O ATOM 1634 CB SER A 103 98.274 -10.050 -5.087 1.00 0.00 C ATOM 1635 OG SER A 103 96.919 -10.451 -4.965 1.00 0.00 O ATOM 0 H SER A 103 97.037 -7.965 -5.771 1.00 0.00 H new ATOM 0 HA SER A 103 99.584 -9.139 -6.524 1.00 0.00 H new ATOM 0 HB2 SER A 103 98.922 -10.925 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 103 98.542 -9.404 -4.251 1.00 0.00 H new ATOM 0 HG SER A 103 96.857 -11.211 -4.349 1.00 0.00 H new ATOM 1641 N ASN A 104 98.776 -11.215 -7.889 1.00 0.00 N ATOM 1642 CA ASN A 104 98.418 -12.107 -8.986 1.00 0.00 C ATOM 1643 C ASN A 104 97.590 -13.285 -8.483 1.00 0.00 C ATOM 1644 O ASN A 104 96.687 -13.761 -9.171 1.00 0.00 O ATOM 1645 CB ASN A 104 99.678 -12.618 -9.688 1.00 0.00 C ATOM 1646 CG ASN A 104 100.459 -11.505 -10.358 1.00 0.00 C ATOM 1647 OD1 ASN A 104 101.071 -10.671 -9.691 1.00 0.00 O ATOM 1648 ND2 ASN A 104 100.442 -11.487 -11.687 1.00 0.00 N ATOM 0 H ASN A 104 99.634 -11.470 -7.400 1.00 0.00 H new ATOM 0 HA ASN A 104 97.817 -11.542 -9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 104 100.317 -13.120 -8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 104 99.398 -13.362 -10.434 1.00 0.00 H new ATOM 0 HD21 ASN A 104 100.950 -10.762 -12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 104 99.921 -12.198 -12.200 1.00 0.00 H new ATOM 1655 N GLY A 105 97.906 -13.752 -7.279 1.00 0.00 N ATOM 1656 CA GLY A 105 97.182 -14.871 -6.704 1.00 0.00 C ATOM 1657 C GLY A 105 96.496 -14.511 -5.400 1.00 0.00 C ATOM 1658 O GLY A 105 97.146 -14.390 -4.362 1.00 0.00 O ATOM 0 H GLY A 105 98.650 -13.376 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 105 96.437 -15.223 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 105 97.873 -15.696 -6.532 1.00 0.00 H new ATOM 1662 N VAL A 106 95.179 -14.339 -5.454 1.00 0.00 N ATOM 1663 CA VAL A 106 94.404 -13.992 -4.271 1.00 0.00 C ATOM 1664 C VAL A 106 94.803 -12.622 -3.732 1.00 0.00 C ATOM 1665 O VAL A 106 95.980 -12.359 -3.487 1.00 0.00 O ATOM 1666 CB VAL A 106 94.576 -15.039 -3.155 1.00 0.00 C ATOM 1667 CG1 VAL A 106 93.608 -14.769 -2.014 1.00 0.00 C ATOM 1668 CG2 VAL A 106 94.384 -16.444 -3.707 1.00 0.00 C ATOM 0 H VAL A 106 94.627 -14.435 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 106 93.358 -13.969 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 106 95.591 -14.963 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 106 93.745 -15.519 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 106 93.799 -13.779 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 106 92.585 -14.815 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 106 94.509 -17.171 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 106 93.382 -16.536 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 106 95.123 -16.633 -4.486 1.00 0.00 H new ATOM 1678 N ILE A 107 93.814 -11.753 -3.549 1.00 0.00 N ATOM 1679 CA ILE A 107 94.059 -10.411 -3.036 1.00 0.00 C ATOM 1680 C ILE A 107 93.981 -10.382 -1.513 1.00 0.00 C ATOM 1681 O ILE A 107 93.021 -10.878 -0.922 1.00 0.00 O ATOM 1682 CB ILE A 107 93.055 -9.394 -3.616 1.00 0.00 C ATOM 1683 CG1 ILE A 107 93.421 -7.973 -3.181 1.00 0.00 C ATOM 1684 CG2 ILE A 107 91.636 -9.735 -3.183 1.00 0.00 C ATOM 1685 CD1 ILE A 107 92.697 -6.897 -3.959 1.00 0.00 C ATOM 0 H ILE A 107 92.834 -11.955 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 107 95.065 -10.131 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 107 93.103 -9.446 -4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 107 93.196 -7.857 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 107 94.496 -7.832 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 107 90.943 -9.006 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 107 91.376 -10.731 -3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 107 91.572 -9.712 -2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 107 93.005 -5.916 -3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 107 92.941 -6.986 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 107 91.621 -7.012 -3.824 1.00 0.00 H new ATOM 1697 N ILE A 108 94.997 -9.800 -0.883 1.00 0.00 N ATOM 1698 CA ILE A 108 95.041 -9.709 0.571 1.00 0.00 C ATOM 1699 C ILE A 108 95.648 -8.383 1.022 1.00 0.00 C ATOM 1700 O ILE A 108 96.690 -7.964 0.519 1.00 0.00 O ATOM 1701 CB ILE A 108 95.850 -10.872 1.183 1.00 0.00 C ATOM 1702 CG1 ILE A 108 95.768 -10.835 2.710 1.00 0.00 C ATOM 1703 CG2 ILE A 108 97.299 -10.817 0.720 1.00 0.00 C ATOM 1704 CD1 ILE A 108 96.393 -12.040 3.378 1.00 0.00 C ATOM 0 H ILE A 108 95.799 -9.385 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 108 94.011 -9.770 0.924 1.00 0.00 H new ATOM 0 HB ILE A 108 95.418 -11.812 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 108 96.262 -9.933 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 108 94.722 -10.766 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 108 97.854 -11.645 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 108 97.337 -10.894 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 108 97.745 -9.873 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 108 96.298 -11.946 4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 108 95.884 -12.945 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 108 97.448 -12.098 3.110 1.00 0.00 H new ATOM 1716 N GLY A 109 94.987 -7.728 1.972 1.00 0.00 N ATOM 1717 CA GLY A 109 95.479 -6.457 2.474 1.00 0.00 C ATOM 1718 C GLY A 109 94.887 -5.273 1.735 1.00 0.00 C ATOM 1719 O GLY A 109 94.440 -5.404 0.597 1.00 0.00 O ATOM 0 H GLY A 109 94.121 -8.054 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 109 95.244 -6.373 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 109 96.565 -6.431 2.385 1.00 0.00 H new ATOM 1723 N ALA A 110 94.889 -4.112 2.384 1.00 0.00 N ATOM 1724 CA ALA A 110 94.350 -2.899 1.782 1.00 0.00 C ATOM 1725 C ALA A 110 95.184 -1.680 2.163 1.00 0.00 C ATOM 1726 O ALA A 110 95.620 -1.547 3.307 1.00 0.00 O ATOM 1727 CB ALA A 110 92.900 -2.701 2.197 1.00 0.00 C ATOM 0 H ALA A 110 95.258 -3.987 3.327 1.00 0.00 H new ATOM 0 HA ALA A 110 94.392 -3.011 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 110 92.512 -1.791 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 110 92.307 -3.554 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 110 92.841 -2.615 3.282 1.00 0.00 H new ATOM 1733 N ILE A 111 95.402 -0.793 1.198 1.00 0.00 N ATOM 1734 CA ILE A 111 96.185 0.415 1.431 1.00 0.00 C ATOM 1735 C ILE A 111 95.284 1.635 1.588 1.00 0.00 C ATOM 1736 O ILE A 111 94.227 1.723 0.965 1.00 0.00 O ATOM 1737 CB ILE A 111 97.179 0.669 0.282 1.00 0.00 C ATOM 1738 CG1 ILE A 111 97.971 -0.603 -0.029 1.00 0.00 C ATOM 1739 CG2 ILE A 111 98.119 1.811 0.637 1.00 0.00 C ATOM 1740 CD1 ILE A 111 98.702 -0.551 -1.353 1.00 0.00 C ATOM 0 H ILE A 111 95.047 -0.888 0.246 1.00 0.00 H new ATOM 0 HA ILE A 111 96.741 0.258 2.355 1.00 0.00 H new ATOM 0 HB ILE A 111 96.617 0.950 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 111 98.693 -0.776 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 111 97.290 -1.454 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 111 98.815 1.978 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 111 97.540 2.718 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 111 98.676 1.557 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 111 99.242 -1.485 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 111 97.983 -0.409 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 111 99.408 0.279 -1.346 1.00 0.00 H new ATOM 1752 N SER A 112 95.711 2.576 2.426 1.00 0.00 N ATOM 1753 CA SER A 112 94.945 3.792 2.666 1.00 0.00 C ATOM 1754 C SER A 112 95.677 5.013 2.120 1.00 0.00 C ATOM 1755 O SER A 112 96.907 5.061 2.115 1.00 0.00 O ATOM 1756 CB SER A 112 94.683 3.968 4.164 1.00 0.00 C ATOM 1757 OG SER A 112 93.660 4.921 4.396 1.00 0.00 O ATOM 0 H SER A 112 96.584 2.518 2.950 1.00 0.00 H new ATOM 0 HA SER A 112 93.992 3.699 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 112 94.398 3.011 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 112 95.599 4.286 4.661 1.00 0.00 H new ATOM 0 HG SER A 112 93.511 5.013 5.360 1.00 0.00 H new ATOM 1763 N THR A 113 94.913 5.998 1.660 1.00 0.00 N ATOM 1764 CA THR A 113 95.490 7.220 1.110 1.00 0.00 C ATOM 1765 C THR A 113 94.600 8.424 1.398 1.00 0.00 C ATOM 1766 O THR A 113 93.388 8.377 1.189 1.00 0.00 O ATOM 1767 CB THR A 113 95.704 7.107 -0.410 1.00 0.00 C ATOM 1768 OG1 THR A 113 96.413 5.900 -0.717 1.00 0.00 O ATOM 1769 CG2 THR A 113 96.482 8.303 -0.938 1.00 0.00 C ATOM 0 H THR A 113 93.893 5.974 1.657 1.00 0.00 H new ATOM 0 HA THR A 113 96.456 7.359 1.595 1.00 0.00 H new ATOM 0 HB THR A 113 94.726 7.087 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 113 96.544 5.835 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 113 96.621 8.200 -2.014 1.00 0.00 H new ATOM 0 HG22 THR A 113 95.928 9.218 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 113 97.455 8.348 -0.449 1.00 0.00 H new ATOM 1777 N PHE A 114 95.210 9.503 1.880 1.00 0.00 N ATOM 1778 CA PHE A 114 94.472 10.720 2.196 1.00 0.00 C ATOM 1779 C PHE A 114 95.281 11.960 1.829 1.00 0.00 C ATOM 1780 O PHE A 114 96.368 12.184 2.363 1.00 0.00 O ATOM 1781 CB PHE A 114 94.114 10.753 3.683 1.00 0.00 C ATOM 1782 CG PHE A 114 95.259 10.382 4.582 1.00 0.00 C ATOM 1783 CD1 PHE A 114 95.620 9.056 4.754 1.00 0.00 C ATOM 1784 CD2 PHE A 114 95.971 11.361 5.256 1.00 0.00 C ATOM 1785 CE1 PHE A 114 96.673 8.712 5.580 1.00 0.00 C ATOM 1786 CE2 PHE A 114 97.025 11.023 6.084 1.00 0.00 C ATOM 1787 CZ PHE A 114 97.376 9.697 6.247 1.00 0.00 C ATOM 0 H PHE A 114 96.212 9.559 2.060 1.00 0.00 H new ATOM 0 HA PHE A 114 93.554 10.720 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 114 93.767 11.753 3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 114 93.284 10.070 3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 114 95.072 8.282 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 114 95.700 12.399 5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 114 96.946 7.675 5.704 1.00 0.00 H new ATOM 0 HE2 PHE A 114 97.574 11.795 6.603 1.00 0.00 H new ATOM 0 HZ PHE A 114 98.198 9.431 6.895 1.00 0.00 H new ATOM 1797 N ARG A 115 94.744 12.760 0.915 1.00 0.00 N ATOM 1798 CA ARG A 115 95.416 13.978 0.477 1.00 0.00 C ATOM 1799 C ARG A 115 94.401 15.042 0.072 1.00 0.00 C ATOM 1800 O ARG A 115 93.806 14.969 -1.003 1.00 0.00 O ATOM 1801 CB ARG A 115 96.352 13.677 -0.695 1.00 0.00 C ATOM 1802 CG ARG A 115 97.251 14.844 -1.072 1.00 0.00 C ATOM 1803 CD ARG A 115 98.703 14.414 -1.225 1.00 0.00 C ATOM 1804 NE ARG A 115 99.189 14.601 -2.590 1.00 0.00 N ATOM 1805 CZ ARG A 115 100.473 14.530 -2.935 1.00 0.00 C ATOM 1806 NH1 ARG A 115 101.400 14.272 -2.021 1.00 0.00 N ATOM 1807 NH2 ARG A 115 100.829 14.712 -4.199 1.00 0.00 N ATOM 0 H ARG A 115 93.846 12.587 0.463 1.00 0.00 H new ATOM 0 HA ARG A 115 96.003 14.360 1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 115 96.973 12.818 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 115 95.755 13.394 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 115 96.902 15.284 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 115 97.180 15.619 -0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 115 99.325 14.987 -0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 115 98.802 13.365 -0.946 1.00 0.00 H new ATOM 0 HE ARG A 115 98.505 14.797 -3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 115 101.130 14.127 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 115 102.382 14.219 -2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 115 100.120 14.906 -4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 115 101.812 14.658 -4.465 1.00 0.00 H new ATOM 1821 N ASP A 116 94.206 16.029 0.942 1.00 0.00 N ATOM 1822 CA ASP A 116 93.262 17.108 0.675 1.00 0.00 C ATOM 1823 C ASP A 116 93.960 18.465 0.716 1.00 0.00 C ATOM 1824 O ASP A 116 94.687 18.770 1.661 1.00 0.00 O ATOM 1825 CB ASP A 116 92.119 17.076 1.692 1.00 0.00 C ATOM 1826 CG ASP A 116 90.763 17.275 1.045 1.00 0.00 C ATOM 1827 OD1 ASP A 116 90.593 16.856 -0.119 1.00 0.00 O ATOM 1828 OD2 ASP A 116 89.871 17.851 1.703 1.00 0.00 O ATOM 0 H ASP A 116 94.689 16.103 1.837 1.00 0.00 H new ATOM 0 HA ASP A 116 92.853 16.962 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 116 92.131 16.121 2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 116 92.279 17.853 2.439 1.00 0.00 H new ATOM 1833 N LYS A 117 93.731 19.273 -0.314 1.00 0.00 N ATOM 1834 CA LYS A 117 94.338 20.597 -0.394 1.00 0.00 C ATOM 1835 C LYS A 117 93.551 21.501 -1.339 1.00 0.00 C ATOM 1836 O LYS A 117 94.128 22.322 -2.052 1.00 0.00 O ATOM 1837 CB LYS A 117 95.790 20.488 -0.864 1.00 0.00 C ATOM 1838 CG LYS A 117 96.726 21.469 -0.176 1.00 0.00 C ATOM 1839 CD LYS A 117 98.140 20.916 -0.078 1.00 0.00 C ATOM 1840 CE LYS A 117 98.770 21.226 1.271 1.00 0.00 C ATOM 1841 NZ LYS A 117 99.296 20.000 1.933 1.00 0.00 N ATOM 0 H LYS A 117 93.131 19.035 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 117 94.318 21.039 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 117 96.146 19.473 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 117 95.829 20.655 -1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 117 96.739 22.409 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 117 96.351 21.691 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 117 98.121 19.837 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 117 98.753 21.341 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 117 99.580 21.942 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 117 98.030 21.699 1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 99.717 20.254 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 98.518 19.326 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 100.020 19.563 1.328 1.00 0.00 H new ATOM 1855 N THR A 118 92.231 21.344 -1.337 1.00 0.00 N ATOM 1856 CA THR A 118 91.366 22.148 -2.194 1.00 0.00 C ATOM 1857 C THR A 118 91.493 23.632 -1.866 1.00 0.00 C ATOM 1858 O THR A 118 91.600 23.964 -0.667 1.00 0.00 O ATOM 1859 CB THR A 118 89.891 21.728 -2.055 1.00 0.00 C ATOM 1860 OG1 THR A 118 89.063 22.581 -2.856 1.00 0.00 O ATOM 1861 CG2 THR A 118 89.444 21.799 -0.603 1.00 0.00 C ATOM 0 H THR A 118 91.738 20.669 -0.753 1.00 0.00 H new ATOM 0 HA THR A 118 91.690 21.976 -3.220 1.00 0.00 H new ATOM 0 HB THR A 118 89.794 20.698 -2.399 1.00 0.00 H new ATOM 0 HG1 THR A 118 88.126 22.307 -2.765 1.00 0.00 H new ATOM 0 HG21 THR A 118 88.399 21.498 -0.529 1.00 0.00 H new ATOM 0 HG22 THR A 118 90.058 21.130 -0.000 1.00 0.00 H new ATOM 0 HG23 THR A 118 89.554 22.820 -0.238 1.00 0.00 H new TER 1869 THR A 118