USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 867 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 76 CYS SG : rot 138:sc= 0.832 USER MOD Set 1.2: A 79 CYS SG : rot 179:sc= 1.26 USER MOD Set 1.3: A 93 CYS SG : rot -137:sc= 2.12 USER MOD Set 1.4: A 96 CYS SG : rot -101:sc= 1.2 USER MOD Set 1.5: A 100 ASN : amide:sc= -0.165 K(o=5.3,f=3.1) USER MOD Set 2.1: A 39 SER OG : rot -13:sc= -0.368 USER MOD Set 2.2: A 41 MET CE :methyl 165:sc= -0.0482 (180deg=-0.0268) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 86:sc= 0.0259 USER MOD Single : A 16 CYS SG : rot -17:sc= 0.0859 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.05) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0391 K(o=-0.039,f=-1) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.19) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 94:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc=-0.00683 USER MOD Single : A 60 CYS SG : rot -31:sc= -0.0283 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00377) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.524 K(o=-0.52,f=-2.5!) USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00927) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 98 SER OG : rot 17:sc= 0.00214 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 148:sc= 1.28 USER MOD Single : A 105 GLN : amide:sc= 1.79 K(o=1.8,f=-0.0024) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -123:sc= -0.925 (180deg=-2.68) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0059 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -15.651 9.745 -2.958 1.00 0.00 N ATOM 39 CA HIS A 4 -15.212 8.448 -2.431 1.00 0.00 C ATOM 40 C HIS A 4 -13.846 8.061 -3.019 1.00 0.00 C ATOM 41 O HIS A 4 -12.861 7.967 -2.286 1.00 0.00 O ATOM 42 CB HIS A 4 -16.288 7.379 -2.694 1.00 0.00 C ATOM 43 CG HIS A 4 -17.622 7.678 -2.049 1.00 0.00 C ATOM 44 ND1 HIS A 4 -17.860 7.813 -0.698 1.00 0.00 N ATOM 45 CD2 HIS A 4 -18.811 7.865 -2.701 1.00 0.00 C ATOM 46 CE1 HIS A 4 -19.167 8.085 -0.536 1.00 0.00 C ATOM 47 NE2 HIS A 4 -19.787 8.126 -1.730 1.00 0.00 N ATOM 0 HA HIS A 4 -15.083 8.522 -1.351 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.431 7.279 -3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -15.927 6.417 -2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -18.968 7.820 -3.769 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -19.650 8.247 0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -20.776 8.311 -1.896 1.00 0.00 H new ATOM 55 N GLU A 5 -13.747 7.906 -4.345 1.00 0.00 N ATOM 56 CA GLU A 5 -12.480 7.624 -5.046 1.00 0.00 C ATOM 57 C GLU A 5 -11.414 8.722 -4.857 1.00 0.00 C ATOM 58 O GLU A 5 -10.215 8.439 -4.854 1.00 0.00 O ATOM 59 CB GLU A 5 -12.752 7.358 -6.539 1.00 0.00 C ATOM 60 CG GLU A 5 -13.288 8.570 -7.320 1.00 0.00 C ATOM 61 CD GLU A 5 -13.637 8.176 -8.768 1.00 0.00 C ATOM 62 OE1 GLU A 5 -12.728 8.155 -9.635 1.00 0.00 O ATOM 63 OE2 GLU A 5 -14.823 7.877 -9.053 1.00 0.00 O ATOM 0 H GLU A 5 -14.550 7.973 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.058 6.728 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.828 7.020 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.469 6.542 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.173 8.966 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.542 9.365 -7.324 1.00 0.00 H new ATOM 70 N TYR A 6 -11.844 9.968 -4.632 1.00 0.00 N ATOM 71 CA TYR A 6 -10.972 11.115 -4.354 1.00 0.00 C ATOM 72 C TYR A 6 -10.396 11.143 -2.924 1.00 0.00 C ATOM 73 O TYR A 6 -9.596 12.026 -2.615 1.00 0.00 O ATOM 74 CB TYR A 6 -11.733 12.413 -4.659 1.00 0.00 C ATOM 75 CG TYR A 6 -12.241 12.524 -6.087 1.00 0.00 C ATOM 76 CD1 TYR A 6 -11.339 12.408 -7.164 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.607 12.757 -6.337 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.799 12.517 -8.490 1.00 0.00 C ATOM 79 CE2 TYR A 6 -14.074 12.866 -7.662 1.00 0.00 C ATOM 80 CZ TYR A 6 -13.174 12.741 -8.741 1.00 0.00 C ATOM 81 OH TYR A 6 -13.638 12.846 -10.017 1.00 0.00 O ATOM 0 H TYR A 6 -12.834 10.213 -4.638 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.105 11.016 -5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.580 12.491 -3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -11.079 13.260 -4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.291 12.235 -6.971 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.298 12.852 -5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.105 12.430 -9.313 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -15.122 13.045 -7.852 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.606 12.998 -10.002 1.00 0.00 H new ATOM 91 N SER A 7 -10.764 10.195 -2.051 1.00 0.00 N ATOM 92 CA SER A 7 -10.235 10.084 -0.682 1.00 0.00 C ATOM 93 C SER A 7 -8.709 9.910 -0.677 1.00 0.00 C ATOM 94 O SER A 7 -7.996 10.779 -0.177 1.00 0.00 O ATOM 95 CB SER A 7 -10.948 8.953 0.076 1.00 0.00 C ATOM 96 OG SER A 7 -10.574 8.934 1.445 1.00 0.00 O ATOM 0 H SER A 7 -11.447 9.473 -2.278 1.00 0.00 H new ATOM 0 HA SER A 7 -10.440 11.018 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.027 9.081 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.705 7.995 -0.383 1.00 0.00 H new ATOM 0 HG SER A 7 -11.044 8.206 1.902 1.00 0.00 H new ATOM 102 N VAL A 8 -8.189 8.831 -1.282 1.00 0.00 N ATOM 103 CA VAL A 8 -6.738 8.548 -1.375 1.00 0.00 C ATOM 104 C VAL A 8 -5.955 9.704 -2.017 1.00 0.00 C ATOM 105 O VAL A 8 -4.906 10.107 -1.515 1.00 0.00 O ATOM 106 CB VAL A 8 -6.481 7.193 -2.071 1.00 0.00 C ATOM 107 CG1 VAL A 8 -6.861 7.160 -3.553 1.00 0.00 C ATOM 108 CG2 VAL A 8 -5.026 6.749 -1.906 1.00 0.00 C ATOM 0 H VAL A 8 -8.767 8.118 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.355 8.464 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.145 6.493 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.648 6.172 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.924 7.375 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.282 7.909 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.878 5.792 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.366 7.495 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.796 6.643 -0.846 1.00 0.00 H new ATOM 118 N VAL A 9 -6.510 10.282 -3.086 1.00 0.00 N ATOM 119 CA VAL A 9 -6.015 11.437 -3.850 1.00 0.00 C ATOM 120 C VAL A 9 -5.835 12.670 -2.961 1.00 0.00 C ATOM 121 O VAL A 9 -4.705 13.105 -2.727 1.00 0.00 O ATOM 122 CB VAL A 9 -7.007 11.709 -4.993 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.719 12.986 -5.779 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.051 10.534 -5.976 1.00 0.00 C ATOM 0 H VAL A 9 -7.386 9.929 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.029 11.212 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.970 11.837 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.464 13.104 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.761 13.844 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.726 12.923 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.760 10.753 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.060 10.380 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.364 9.632 -5.451 1.00 0.00 H new ATOM 134 N SER A 10 -6.938 13.224 -2.445 1.00 0.00 N ATOM 135 CA SER A 10 -6.950 14.367 -1.524 1.00 0.00 C ATOM 136 C SER A 10 -6.033 14.145 -0.314 1.00 0.00 C ATOM 137 O SER A 10 -5.238 15.025 0.024 1.00 0.00 O ATOM 138 CB SER A 10 -8.391 14.636 -1.071 1.00 0.00 C ATOM 139 OG SER A 10 -8.472 15.790 -0.251 1.00 0.00 O ATOM 0 H SER A 10 -7.873 12.880 -2.663 1.00 0.00 H new ATOM 0 HA SER A 10 -6.562 15.237 -2.055 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.030 14.764 -1.945 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.768 13.772 -0.524 1.00 0.00 H new ATOM 0 HG SER A 10 -9.403 15.935 0.019 1.00 0.00 H new ATOM 145 N SER A 11 -6.079 12.955 0.300 1.00 0.00 N ATOM 146 CA SER A 11 -5.227 12.600 1.446 1.00 0.00 C ATOM 147 C SER A 11 -3.733 12.673 1.120 1.00 0.00 C ATOM 148 O SER A 11 -2.985 13.297 1.870 1.00 0.00 O ATOM 149 CB SER A 11 -5.567 11.211 1.997 1.00 0.00 C ATOM 150 OG SER A 11 -6.801 11.253 2.696 1.00 0.00 O ATOM 0 H SER A 11 -6.711 12.207 0.015 1.00 0.00 H new ATOM 0 HA SER A 11 -5.439 13.347 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.627 10.492 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.774 10.871 2.663 1.00 0.00 H new ATOM 0 HG SER A 11 -7.539 11.128 2.064 1.00 0.00 H new ATOM 156 N LEU A 12 -3.282 12.085 0.005 1.00 0.00 N ATOM 157 CA LEU A 12 -1.883 12.157 -0.439 1.00 0.00 C ATOM 158 C LEU A 12 -1.407 13.594 -0.664 1.00 0.00 C ATOM 159 O LEU A 12 -0.372 13.992 -0.129 1.00 0.00 O ATOM 160 CB LEU A 12 -1.718 11.331 -1.723 1.00 0.00 C ATOM 161 CG LEU A 12 -1.506 9.842 -1.424 1.00 0.00 C ATOM 162 CD1 LEU A 12 -1.718 9.024 -2.687 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.077 9.587 -0.940 1.00 0.00 C ATOM 0 H LEU A 12 -3.880 11.543 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.260 11.746 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.602 11.453 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.870 11.711 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.219 9.553 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.566 7.968 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.734 9.175 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.007 9.341 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.053 8.525 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.629 9.896 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.107 10.159 -0.030 1.00 0.00 H new ATOM 175 N ILE A 13 -2.158 14.371 -1.446 1.00 0.00 N ATOM 176 CA ILE A 13 -1.833 15.770 -1.763 1.00 0.00 C ATOM 177 C ILE A 13 -1.756 16.616 -0.479 1.00 0.00 C ATOM 178 O ILE A 13 -0.788 17.352 -0.288 1.00 0.00 O ATOM 179 CB ILE A 13 -2.813 16.360 -2.802 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.806 15.524 -4.106 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.429 17.819 -3.121 1.00 0.00 C ATOM 182 CD1 ILE A 13 -4.006 15.813 -5.011 1.00 0.00 C ATOM 0 H ILE A 13 -3.020 14.046 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.846 15.794 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.816 16.332 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.887 15.727 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.798 14.464 -3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.125 18.226 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.473 18.414 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.417 17.849 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.943 15.196 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.928 15.583 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.003 16.866 -5.294 1.00 0.00 H new ATOM 194 N ALA A 14 -2.719 16.467 0.437 1.00 0.00 N ATOM 195 CA ALA A 14 -2.696 17.110 1.750 1.00 0.00 C ATOM 196 C ALA A 14 -1.455 16.720 2.573 1.00 0.00 C ATOM 197 O ALA A 14 -0.720 17.592 3.032 1.00 0.00 O ATOM 198 CB ALA A 14 -3.986 16.762 2.500 1.00 0.00 C ATOM 0 H ALA A 14 -3.545 15.889 0.283 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.636 18.188 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.976 17.238 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.845 17.119 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.056 15.681 2.622 1.00 0.00 H new ATOM 204 N LEU A 15 -1.199 15.420 2.754 1.00 0.00 N ATOM 205 CA LEU A 15 -0.051 14.906 3.503 1.00 0.00 C ATOM 206 C LEU A 15 1.282 15.439 2.956 1.00 0.00 C ATOM 207 O LEU A 15 2.072 15.997 3.717 1.00 0.00 O ATOM 208 CB LEU A 15 -0.089 13.366 3.504 1.00 0.00 C ATOM 209 CG LEU A 15 -1.109 12.762 4.489 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.260 11.263 4.223 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.679 12.935 5.948 1.00 0.00 C ATOM 0 H LEU A 15 -1.795 14.684 2.377 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.121 15.263 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.322 13.018 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.904 12.989 3.749 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.049 13.291 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.982 10.840 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.609 11.108 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.296 10.771 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.430 12.493 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.278 12.438 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.579 13.997 6.174 1.00 0.00 H new ATOM 223 N CYS A 16 1.537 15.309 1.651 1.00 0.00 N ATOM 224 CA CYS A 16 2.788 15.785 1.058 1.00 0.00 C ATOM 225 C CYS A 16 2.955 17.316 1.091 1.00 0.00 C ATOM 226 O CYS A 16 4.062 17.792 1.345 1.00 0.00 O ATOM 227 CB CYS A 16 2.976 15.191 -0.340 1.00 0.00 C ATOM 228 SG CYS A 16 1.820 15.856 -1.567 1.00 0.00 S ATOM 0 H CYS A 16 0.894 14.879 0.986 1.00 0.00 H new ATOM 0 HA CYS A 16 3.598 15.421 1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.996 15.381 -0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.854 14.109 -0.286 1.00 0.00 H new ATOM 0 HG CYS A 16 0.833 16.445 -0.959 1.00 0.00 H new ATOM 234 N GLU A 17 1.879 18.097 0.931 1.00 0.00 N ATOM 235 CA GLU A 17 1.876 19.547 1.178 1.00 0.00 C ATOM 236 C GLU A 17 2.293 19.871 2.625 1.00 0.00 C ATOM 237 O GLU A 17 3.163 20.714 2.855 1.00 0.00 O ATOM 238 CB GLU A 17 0.483 20.122 0.856 1.00 0.00 C ATOM 239 CG GLU A 17 0.389 21.635 1.106 1.00 0.00 C ATOM 240 CD GLU A 17 -0.980 22.244 0.735 1.00 0.00 C ATOM 241 OE1 GLU A 17 -2.028 21.560 0.844 1.00 0.00 O ATOM 242 OE2 GLU A 17 -1.022 23.449 0.382 1.00 0.00 O ATOM 0 H GLU A 17 0.976 17.737 0.623 1.00 0.00 H new ATOM 0 HA GLU A 17 2.611 20.015 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.242 19.915 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.265 19.611 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.591 21.833 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.167 22.138 0.532 1.00 0.00 H new ATOM 249 N GLU A 18 1.695 19.184 3.603 1.00 0.00 N ATOM 250 CA GLU A 18 1.963 19.386 5.032 1.00 0.00 C ATOM 251 C GLU A 18 3.399 18.999 5.416 1.00 0.00 C ATOM 252 O GLU A 18 4.059 19.736 6.148 1.00 0.00 O ATOM 253 CB GLU A 18 0.949 18.616 5.898 1.00 0.00 C ATOM 254 CG GLU A 18 -0.465 19.220 5.896 1.00 0.00 C ATOM 255 CD GLU A 18 -0.518 20.597 6.578 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.333 20.682 7.815 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.738 21.619 5.885 1.00 0.00 O ATOM 0 H GLU A 18 1.000 18.460 3.422 1.00 0.00 H new ATOM 0 HA GLU A 18 1.851 20.453 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.893 17.587 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.316 18.581 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.815 19.314 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.148 18.540 6.405 1.00 0.00 H new ATOM 264 N HIS A 19 3.922 17.885 4.896 1.00 0.00 N ATOM 265 CA HIS A 19 5.321 17.497 5.071 1.00 0.00 C ATOM 266 C HIS A 19 6.276 18.514 4.430 1.00 0.00 C ATOM 267 O HIS A 19 7.278 18.880 5.045 1.00 0.00 O ATOM 268 CB HIS A 19 5.557 16.103 4.474 1.00 0.00 C ATOM 269 CG HIS A 19 4.732 14.990 5.081 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.284 14.906 6.384 1.00 0.00 N ATOM 271 CD2 HIS A 19 4.306 13.862 4.430 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.593 13.760 6.511 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.584 13.087 5.347 1.00 0.00 N ATOM 0 H HIS A 19 3.381 17.224 4.338 1.00 0.00 H new ATOM 0 HA HIS A 19 5.530 17.475 6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.350 16.144 3.405 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.612 15.853 4.585 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.493 13.615 3.395 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.113 13.427 7.419 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.138 12.187 5.167 1.00 0.00 H new ATOM 281 N ALA A 20 5.975 19.003 3.221 1.00 0.00 N ATOM 282 CA ALA A 20 6.850 19.920 2.492 1.00 0.00 C ATOM 283 C ALA A 20 7.024 21.255 3.221 1.00 0.00 C ATOM 284 O ALA A 20 8.157 21.693 3.418 1.00 0.00 O ATOM 285 CB ALA A 20 6.333 20.131 1.067 1.00 0.00 C ATOM 0 H ALA A 20 5.116 18.772 2.723 1.00 0.00 H new ATOM 0 HA ALA A 20 7.837 19.461 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.995 20.816 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.307 19.175 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.328 20.553 1.103 1.00 0.00 H new ATOM 291 N LYS A 21 5.933 21.893 3.665 1.00 0.00 N ATOM 292 CA LYS A 21 6.015 23.136 4.453 1.00 0.00 C ATOM 293 C LYS A 21 6.714 22.945 5.808 1.00 0.00 C ATOM 294 O LYS A 21 7.432 23.840 6.254 1.00 0.00 O ATOM 295 CB LYS A 21 4.626 23.780 4.594 1.00 0.00 C ATOM 296 CG LYS A 21 3.708 23.006 5.545 1.00 0.00 C ATOM 297 CD LYS A 21 2.360 23.708 5.740 1.00 0.00 C ATOM 298 CE LYS A 21 1.825 23.337 7.124 1.00 0.00 C ATOM 299 NZ LYS A 21 0.400 23.717 7.286 1.00 0.00 N ATOM 0 H LYS A 21 4.981 21.571 3.493 1.00 0.00 H new ATOM 0 HA LYS A 21 6.650 23.828 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.739 24.802 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.157 23.840 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.541 22.003 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.200 22.892 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.478 24.788 5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.656 23.402 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.935 22.264 7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.422 23.833 7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.118 23.591 8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.273 24.713 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.191 23.114 6.679 1.00 0.00 H new ATOM 313 N LYS A 22 6.548 21.777 6.451 1.00 0.00 N ATOM 314 CA LYS A 22 7.108 21.465 7.782 1.00 0.00 C ATOM 315 C LYS A 22 8.615 21.218 7.707 1.00 0.00 C ATOM 316 O LYS A 22 9.379 21.707 8.538 1.00 0.00 O ATOM 317 CB LYS A 22 6.358 20.250 8.368 1.00 0.00 C ATOM 318 CG LYS A 22 6.697 19.931 9.836 1.00 0.00 C ATOM 319 CD LYS A 22 6.240 20.997 10.848 1.00 0.00 C ATOM 320 CE LYS A 22 4.710 21.132 10.896 1.00 0.00 C ATOM 321 NZ LYS A 22 4.275 22.087 11.949 1.00 0.00 N ATOM 0 H LYS A 22 6.010 21.006 6.054 1.00 0.00 H new ATOM 0 HA LYS A 22 6.968 22.320 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.286 20.429 8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.582 19.374 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.240 18.978 10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.776 19.803 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.612 20.738 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.680 21.959 10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.344 21.468 9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.264 20.155 11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.237 22.152 11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.603 21.753 12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.680 23.025 11.756 1.00 0.00 H new ATOM 335 N ASN A 23 9.039 20.508 6.662 1.00 0.00 N ATOM 336 CA ASN A 23 10.440 20.266 6.302 1.00 0.00 C ATOM 337 C ASN A 23 11.101 21.468 5.593 1.00 0.00 C ATOM 338 O ASN A 23 12.304 21.449 5.334 1.00 0.00 O ATOM 339 CB ASN A 23 10.476 18.986 5.442 1.00 0.00 C ATOM 340 CG ASN A 23 11.879 18.461 5.180 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.387 18.495 4.069 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.543 17.934 6.186 1.00 0.00 N ATOM 0 H ASN A 23 8.388 20.065 6.013 1.00 0.00 H new ATOM 0 HA ASN A 23 11.032 20.133 7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.895 18.209 5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.989 19.187 4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.478 17.556 6.037 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.122 17.904 7.115 1.00 0.00 H new ATOM 349 N GLN A 24 10.326 22.520 5.296 1.00 0.00 N ATOM 350 CA GLN A 24 10.717 23.714 4.535 1.00 0.00 C ATOM 351 C GLN A 24 11.270 23.361 3.135 1.00 0.00 C ATOM 352 O GLN A 24 12.147 24.044 2.599 1.00 0.00 O ATOM 353 CB GLN A 24 11.652 24.601 5.386 1.00 0.00 C ATOM 354 CG GLN A 24 11.007 25.063 6.706 1.00 0.00 C ATOM 355 CD GLN A 24 12.058 25.552 7.697 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.428 26.719 7.743 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.588 24.674 8.527 1.00 0.00 N ATOM 0 H GLN A 24 9.353 22.563 5.598 1.00 0.00 H new ATOM 0 HA GLN A 24 9.828 24.309 4.326 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.565 24.048 5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.942 25.476 4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.295 25.863 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.445 24.239 7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.288 23.700 8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.298 24.970 9.197 1.00 0.00 H new ATOM 366 N ALA A 25 10.769 22.269 2.543 1.00 0.00 N ATOM 367 CA ALA A 25 11.199 21.745 1.249 1.00 0.00 C ATOM 368 C ALA A 25 10.739 22.631 0.078 1.00 0.00 C ATOM 369 O ALA A 25 11.503 22.872 -0.857 1.00 0.00 O ATOM 370 CB ALA A 25 10.643 20.320 1.100 1.00 0.00 C ATOM 0 H ALA A 25 10.029 21.711 2.969 1.00 0.00 H new ATOM 0 HA ALA A 25 12.289 21.737 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.952 19.908 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.028 19.693 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.554 20.347 1.150 1.00 0.00 H new ATOM 376 N HIS A 26 9.482 23.098 0.124 1.00 0.00 N ATOM 377 CA HIS A 26 8.780 23.833 -0.945 1.00 0.00 C ATOM 378 C HIS A 26 8.882 23.180 -2.349 1.00 0.00 C ATOM 379 O HIS A 26 8.791 23.858 -3.376 1.00 0.00 O ATOM 380 CB HIS A 26 9.172 25.320 -0.900 1.00 0.00 C ATOM 381 CG HIS A 26 8.729 25.996 0.376 1.00 0.00 C ATOM 382 ND1 HIS A 26 7.476 26.521 0.616 1.00 0.00 N ATOM 383 CD2 HIS A 26 9.476 26.167 1.508 1.00 0.00 C ATOM 384 CE1 HIS A 26 7.465 27.000 1.872 1.00 0.00 C ATOM 385 NE2 HIS A 26 8.662 26.802 2.456 1.00 0.00 N ATOM 0 H HIS A 26 8.896 22.968 0.949 1.00 0.00 H new ATOM 0 HA HIS A 26 7.711 23.769 -0.743 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.254 25.411 -0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.730 25.835 -1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.504 25.868 1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.618 27.475 2.345 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.926 27.064 3.406 1.00 0.00 H new ATOM 393 N LYS A 27 9.064 21.851 -2.396 1.00 0.00 N ATOM 394 CA LYS A 27 9.191 21.015 -3.603 1.00 0.00 C ATOM 395 C LYS A 27 8.911 19.542 -3.286 1.00 0.00 C ATOM 396 O LYS A 27 9.069 19.110 -2.145 1.00 0.00 O ATOM 397 CB LYS A 27 10.638 21.152 -4.147 1.00 0.00 C ATOM 398 CG LYS A 27 10.765 21.785 -5.539 1.00 0.00 C ATOM 399 CD LYS A 27 10.242 20.885 -6.672 1.00 0.00 C ATOM 400 CE LYS A 27 10.772 21.337 -8.042 1.00 0.00 C ATOM 401 NZ LYS A 27 10.265 22.677 -8.439 1.00 0.00 N ATOM 0 H LYS A 27 9.131 21.297 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 27 8.464 21.350 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.217 21.748 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.092 20.161 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.218 22.727 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.812 22.022 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.543 19.854 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.152 20.903 -6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.862 21.358 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.485 20.606 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.718 22.970 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.235 22.632 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.487 23.367 -7.693 1.00 0.00 H new ATOM 415 N ILE A 28 8.579 18.767 -4.317 1.00 0.00 N ATOM 416 CA ILE A 28 8.502 17.297 -4.315 1.00 0.00 C ATOM 417 C ILE A 28 9.188 16.774 -5.586 1.00 0.00 C ATOM 418 O ILE A 28 9.067 17.374 -6.655 1.00 0.00 O ATOM 419 CB ILE A 28 7.031 16.816 -4.229 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.351 17.305 -2.927 1.00 0.00 C ATOM 421 CG2 ILE A 28 6.954 15.278 -4.316 1.00 0.00 C ATOM 422 CD1 ILE A 28 4.853 16.995 -2.843 1.00 0.00 C ATOM 0 H ILE A 28 8.343 19.163 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 28 9.013 16.902 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 28 6.497 17.247 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.853 16.847 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.493 18.382 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.913 14.962 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.378 14.945 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.517 14.838 -3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.456 17.371 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.335 17.476 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.701 15.917 -2.896 1.00 0.00 H new ATOM 434 N GLU A 29 9.893 15.650 -5.472 1.00 0.00 N ATOM 435 CA GLU A 29 10.406 14.860 -6.595 1.00 0.00 C ATOM 436 C GLU A 29 9.399 13.744 -6.932 1.00 0.00 C ATOM 437 O GLU A 29 8.752 13.794 -7.982 1.00 0.00 O ATOM 438 CB GLU A 29 11.807 14.335 -6.242 1.00 0.00 C ATOM 439 CG GLU A 29 12.643 13.928 -7.464 1.00 0.00 C ATOM 440 CD GLU A 29 12.244 12.577 -8.080 1.00 0.00 C ATOM 441 OE1 GLU A 29 12.330 11.545 -7.374 1.00 0.00 O ATOM 442 OE2 GLU A 29 11.888 12.540 -9.282 1.00 0.00 O ATOM 0 H GLU A 29 10.132 15.249 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 29 10.513 15.469 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.344 15.104 -5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.706 13.475 -5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.553 14.702 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.693 13.886 -7.174 1.00 0.00 H new ATOM 449 N ARG A 30 9.193 12.787 -6.009 1.00 0.00 N ATOM 450 CA ARG A 30 8.159 11.738 -6.095 1.00 0.00 C ATOM 451 C ARG A 30 7.469 11.450 -4.755 1.00 0.00 C ATOM 452 O ARG A 30 8.005 11.752 -3.690 1.00 0.00 O ATOM 453 CB ARG A 30 8.745 10.435 -6.691 1.00 0.00 C ATOM 454 CG ARG A 30 8.960 10.543 -8.208 1.00 0.00 C ATOM 455 CD ARG A 30 9.299 9.219 -8.903 1.00 0.00 C ATOM 456 NE ARG A 30 10.557 8.610 -8.424 1.00 0.00 N ATOM 457 CZ ARG A 30 11.758 8.716 -8.970 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.007 9.524 -9.961 1.00 0.00 N ATOM 459 NH2 ARG A 30 12.745 7.982 -8.539 1.00 0.00 N ATOM 0 H ARG A 30 9.755 12.720 -5.161 1.00 0.00 H new ATOM 0 HA ARG A 30 7.390 12.127 -6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.694 10.209 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.072 9.604 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.058 10.955 -8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.765 11.254 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.481 8.516 -8.747 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.372 9.389 -9.977 1.00 0.00 H new ATOM 0 HE ARG A 30 10.493 8.044 -7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.262 10.105 -10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.947 9.575 -10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.594 7.321 -7.777 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.668 8.068 -8.964 1.00 0.00 H new ATOM 473 N VAL A 31 6.307 10.794 -4.814 1.00 0.00 N ATOM 474 CA VAL A 31 5.582 10.210 -3.667 1.00 0.00 C ATOM 475 C VAL A 31 5.346 8.712 -3.902 1.00 0.00 C ATOM 476 O VAL A 31 4.881 8.307 -4.968 1.00 0.00 O ATOM 477 CB VAL A 31 4.286 10.980 -3.325 1.00 0.00 C ATOM 478 CG1 VAL A 31 4.566 12.477 -3.148 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.160 10.834 -4.352 1.00 0.00 C ATOM 0 H VAL A 31 5.819 10.645 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 31 6.209 10.313 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 31 3.945 10.522 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.637 12.995 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.281 12.620 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.979 12.882 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.293 11.409 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.499 11.206 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.885 9.783 -4.443 1.00 0.00 H new ATOM 489 N VAL A 32 5.733 7.878 -2.936 1.00 0.00 N ATOM 490 CA VAL A 32 5.834 6.413 -3.063 1.00 0.00 C ATOM 491 C VAL A 32 4.604 5.741 -2.460 1.00 0.00 C ATOM 492 O VAL A 32 4.308 5.935 -1.279 1.00 0.00 O ATOM 493 CB VAL A 32 7.123 5.872 -2.406 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.360 4.412 -2.808 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.377 6.671 -2.793 1.00 0.00 C ATOM 0 H VAL A 32 5.995 8.210 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 32 5.881 6.175 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 32 6.967 5.966 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.272 4.048 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.516 3.804 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.461 4.345 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.249 6.242 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.515 6.631 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.258 7.709 -2.481 1.00 0.00 H new ATOM 505 N VAL A 33 3.879 4.957 -3.262 1.00 0.00 N ATOM 506 CA VAL A 33 2.577 4.371 -2.897 1.00 0.00 C ATOM 507 C VAL A 33 2.527 2.878 -3.226 1.00 0.00 C ATOM 508 O VAL A 33 2.743 2.470 -4.366 1.00 0.00 O ATOM 509 CB VAL A 33 1.412 5.136 -3.561 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.061 4.614 -3.056 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.467 6.639 -3.245 1.00 0.00 C ATOM 0 H VAL A 33 4.182 4.704 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 33 2.461 4.471 -1.818 1.00 0.00 H new ATOM 0 HB VAL A 33 1.513 4.978 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.746 5.167 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.032 3.555 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.000 4.749 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.631 7.144 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.404 6.787 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.405 7.054 -3.614 1.00 0.00 H new ATOM 521 N GLY A 34 2.240 2.062 -2.212 1.00 0.00 N ATOM 522 CA GLY A 34 2.158 0.607 -2.273 1.00 0.00 C ATOM 523 C GLY A 34 0.750 0.115 -2.605 1.00 0.00 C ATOM 524 O GLY A 34 -0.195 0.384 -1.861 1.00 0.00 O ATOM 0 H GLY A 34 2.048 2.420 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.855 0.238 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.470 0.188 -1.316 1.00 0.00 H new ATOM 528 N ILE A 35 0.616 -0.622 -3.708 1.00 0.00 N ATOM 529 CA ILE A 35 -0.621 -1.268 -4.170 1.00 0.00 C ATOM 530 C ILE A 35 -0.411 -2.786 -4.159 1.00 0.00 C ATOM 531 O ILE A 35 0.555 -3.289 -4.735 1.00 0.00 O ATOM 532 CB ILE A 35 -1.043 -0.754 -5.567 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.160 0.789 -5.564 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.373 -1.416 -5.984 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.703 1.393 -6.862 1.00 0.00 C ATOM 0 H ILE A 35 1.401 -0.795 -4.335 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.439 -1.014 -3.496 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.279 -1.025 -6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.809 1.089 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.176 1.214 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.668 -1.052 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.245 -2.498 -6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.147 -1.166 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.750 2.478 -6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.044 1.129 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.702 1.002 -7.055 1.00 0.00 H new ATOM 547 N GLY A 36 -1.297 -3.510 -3.470 1.00 0.00 N ATOM 548 CA GLY A 36 -1.189 -4.962 -3.277 1.00 0.00 C ATOM 549 C GLY A 36 -1.251 -5.745 -4.592 1.00 0.00 C ATOM 550 O GLY A 36 -2.049 -5.431 -5.477 1.00 0.00 O ATOM 0 H GLY A 36 -2.119 -3.102 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.251 -5.187 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.993 -5.297 -2.622 1.00 0.00 H new ATOM 554 N GLU A 37 -0.452 -6.805 -4.723 1.00 0.00 N ATOM 555 CA GLU A 37 -0.286 -7.572 -5.967 1.00 0.00 C ATOM 556 C GLU A 37 -1.545 -8.364 -6.366 1.00 0.00 C ATOM 557 O GLU A 37 -1.684 -8.774 -7.520 1.00 0.00 O ATOM 558 CB GLU A 37 0.953 -8.485 -5.879 1.00 0.00 C ATOM 559 CG GLU A 37 0.861 -9.571 -4.792 1.00 0.00 C ATOM 560 CD GLU A 37 2.092 -10.500 -4.737 1.00 0.00 C ATOM 561 OE1 GLU A 37 2.736 -10.759 -5.783 1.00 0.00 O ATOM 562 OE2 GLU A 37 2.394 -11.013 -3.634 1.00 0.00 O ATOM 0 H GLU A 37 0.112 -7.165 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.129 -6.847 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.105 -8.966 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.832 -7.869 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.735 -9.091 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.030 -10.174 -4.967 1.00 0.00 H new ATOM 569 N ARG A 38 -2.488 -8.533 -5.424 1.00 0.00 N ATOM 570 CA ARG A 38 -3.815 -9.133 -5.626 1.00 0.00 C ATOM 571 C ARG A 38 -4.972 -8.118 -5.620 1.00 0.00 C ATOM 572 O ARG A 38 -6.128 -8.516 -5.746 1.00 0.00 O ATOM 573 CB ARG A 38 -4.046 -10.250 -4.589 1.00 0.00 C ATOM 574 CG ARG A 38 -3.006 -11.384 -4.592 1.00 0.00 C ATOM 575 CD ARG A 38 -2.880 -12.109 -5.937 1.00 0.00 C ATOM 576 NE ARG A 38 -1.907 -13.217 -5.858 1.00 0.00 N ATOM 577 CZ ARG A 38 -1.653 -14.119 -6.790 1.00 0.00 C ATOM 578 NH1 ARG A 38 -2.281 -14.134 -7.931 1.00 0.00 N ATOM 579 NH2 ARG A 38 -0.751 -15.037 -6.589 1.00 0.00 N ATOM 0 H ARG A 38 -2.338 -8.242 -4.458 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.816 -9.556 -6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.065 -9.801 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.031 -10.684 -4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.034 -10.973 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.272 -12.109 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.854 -12.497 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.569 -11.402 -6.706 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.374 -13.294 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.996 -13.434 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.058 -14.846 -8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.236 -15.062 -5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.559 -15.731 -7.312 1.00 0.00 H new ATOM 593 N SER A 39 -4.687 -6.816 -5.485 1.00 0.00 N ATOM 594 CA SER A 39 -5.688 -5.740 -5.487 1.00 0.00 C ATOM 595 C SER A 39 -6.433 -5.634 -6.827 1.00 0.00 C ATOM 596 O SER A 39 -7.642 -5.391 -6.853 1.00 0.00 O ATOM 597 CB SER A 39 -4.983 -4.415 -5.184 1.00 0.00 C ATOM 598 OG SER A 39 -5.918 -3.365 -5.089 1.00 0.00 O ATOM 0 H SER A 39 -3.733 -6.474 -5.369 1.00 0.00 H new ATOM 0 HA SER A 39 -6.432 -5.969 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.426 -4.499 -4.251 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.259 -4.194 -5.969 1.00 0.00 H new ATOM 0 HG SER A 39 -6.784 -3.666 -5.434 1.00 0.00 H new ATOM 604 N ALA A 40 -5.713 -5.841 -7.937 1.00 0.00 N ATOM 605 CA ALA A 40 -6.177 -5.759 -9.328 1.00 0.00 C ATOM 606 C ALA A 40 -6.825 -4.411 -9.744 1.00 0.00 C ATOM 607 O ALA A 40 -7.393 -4.316 -10.837 1.00 0.00 O ATOM 608 CB ALA A 40 -7.044 -6.989 -9.637 1.00 0.00 C ATOM 0 H ALA A 40 -4.724 -6.087 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.292 -5.775 -9.964 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.394 -6.938 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.453 -7.895 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.901 -7.009 -8.964 1.00 0.00 H new ATOM 614 N MET A 41 -6.736 -3.362 -8.915 1.00 0.00 N ATOM 615 CA MET A 41 -7.172 -2.005 -9.263 1.00 0.00 C ATOM 616 C MET A 41 -6.328 -1.415 -10.403 1.00 0.00 C ATOM 617 O MET A 41 -5.116 -1.628 -10.489 1.00 0.00 O ATOM 618 CB MET A 41 -7.104 -1.080 -8.037 1.00 0.00 C ATOM 619 CG MET A 41 -8.190 -1.405 -7.003 1.00 0.00 C ATOM 620 SD MET A 41 -8.408 -0.127 -5.728 1.00 0.00 S ATOM 621 CE MET A 41 -6.912 -0.370 -4.731 1.00 0.00 C ATOM 0 H MET A 41 -6.354 -3.434 -7.972 1.00 0.00 H new ATOM 0 HA MET A 41 -8.205 -2.076 -9.602 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.123 -1.170 -7.571 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.210 -0.044 -8.359 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.138 -1.551 -7.521 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.943 -2.349 -6.517 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.764 0.493 -4.082 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.022 -1.268 -4.123 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.050 -0.481 -5.389 1.00 0.00 H new ATOM 631 N ASP A 42 -6.972 -0.634 -11.271 1.00 0.00 N ATOM 632 CA ASP A 42 -6.343 0.071 -12.392 1.00 0.00 C ATOM 633 C ASP A 42 -5.524 1.285 -11.909 1.00 0.00 C ATOM 634 O ASP A 42 -6.032 2.401 -11.768 1.00 0.00 O ATOM 635 CB ASP A 42 -7.410 0.463 -13.425 1.00 0.00 C ATOM 636 CG ASP A 42 -7.949 -0.759 -14.185 1.00 0.00 C ATOM 637 OD1 ASP A 42 -7.225 -1.291 -15.060 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.101 -1.182 -13.923 1.00 0.00 O ATOM 0 H ASP A 42 -7.977 -0.469 -11.213 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.634 -0.601 -12.877 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.234 0.970 -12.922 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.985 1.173 -14.134 1.00 0.00 H new ATOM 643 N LYS A 43 -4.223 1.074 -11.677 1.00 0.00 N ATOM 644 CA LYS A 43 -3.232 2.087 -11.260 1.00 0.00 C ATOM 645 C LYS A 43 -3.174 3.334 -12.158 1.00 0.00 C ATOM 646 O LYS A 43 -2.887 4.432 -11.684 1.00 0.00 O ATOM 647 CB LYS A 43 -1.860 1.406 -11.140 1.00 0.00 C ATOM 648 CG LYS A 43 -1.344 0.791 -12.461 1.00 0.00 C ATOM 649 CD LYS A 43 -0.001 0.061 -12.328 1.00 0.00 C ATOM 650 CE LYS A 43 -0.084 -1.175 -11.420 1.00 0.00 C ATOM 651 NZ LYS A 43 1.180 -1.959 -11.451 1.00 0.00 N ATOM 0 H LYS A 43 -3.807 0.148 -11.779 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.551 2.477 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.134 2.136 -10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.920 0.622 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.090 0.092 -12.840 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.243 1.583 -13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.342 -0.243 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.744 0.750 -11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.295 -0.863 -10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.913 -1.807 -11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.091 -2.787 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.368 -2.277 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.967 -1.362 -11.124 1.00 0.00 H new ATOM 665 N SER A 44 -3.512 3.167 -13.438 1.00 0.00 N ATOM 666 CA SER A 44 -3.680 4.230 -14.440 1.00 0.00 C ATOM 667 C SER A 44 -4.734 5.275 -14.032 1.00 0.00 C ATOM 668 O SER A 44 -4.507 6.475 -14.201 1.00 0.00 O ATOM 669 CB SER A 44 -4.053 3.597 -15.787 1.00 0.00 C ATOM 670 OG SER A 44 -4.088 4.561 -16.826 1.00 0.00 O ATOM 0 H SER A 44 -3.686 2.240 -13.827 1.00 0.00 H new ATOM 0 HA SER A 44 -2.732 4.762 -14.520 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.331 2.819 -16.036 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.027 3.114 -15.705 1.00 0.00 H new ATOM 0 HG SER A 44 -4.327 4.124 -17.670 1.00 0.00 H new ATOM 676 N LEU A 45 -5.856 4.852 -13.428 1.00 0.00 N ATOM 677 CA LEU A 45 -6.849 5.784 -12.870 1.00 0.00 C ATOM 678 C LEU A 45 -6.256 6.509 -11.672 1.00 0.00 C ATOM 679 O LEU A 45 -6.385 7.725 -11.564 1.00 0.00 O ATOM 680 CB LEU A 45 -8.151 5.100 -12.405 1.00 0.00 C ATOM 681 CG LEU A 45 -8.679 3.998 -13.314 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.966 3.403 -12.743 1.00 0.00 C ATOM 683 CD2 LEU A 45 -8.947 4.460 -14.748 1.00 0.00 C ATOM 0 H LEU A 45 -6.099 3.868 -13.313 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.101 6.468 -13.680 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.984 4.679 -11.413 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.923 5.862 -12.302 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.889 3.248 -13.353 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.329 2.617 -13.406 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.767 2.983 -11.757 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.722 4.184 -12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.321 3.622 -15.336 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.690 5.258 -14.740 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.022 4.830 -15.190 1.00 0.00 H new ATOM 695 N PHE A 46 -5.616 5.755 -10.769 1.00 0.00 N ATOM 696 CA PHE A 46 -5.141 6.289 -9.502 1.00 0.00 C ATOM 697 C PHE A 46 -4.160 7.455 -9.714 1.00 0.00 C ATOM 698 O PHE A 46 -4.375 8.548 -9.191 1.00 0.00 O ATOM 699 CB PHE A 46 -4.528 5.189 -8.621 1.00 0.00 C ATOM 700 CG PHE A 46 -3.737 5.723 -7.436 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.354 6.559 -6.478 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.360 5.437 -7.324 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.588 7.140 -5.450 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.626 5.940 -6.241 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.227 6.821 -5.333 1.00 0.00 C ATOM 0 H PHE A 46 -5.417 4.763 -10.902 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.007 6.685 -8.971 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.326 4.544 -8.253 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.874 4.568 -9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.415 6.752 -6.535 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.872 4.831 -8.073 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.046 7.828 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.595 5.648 -6.106 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.639 7.257 -4.539 1.00 0.00 H new ATOM 715 N VAL A 47 -3.113 7.248 -10.523 1.00 0.00 N ATOM 716 CA VAL A 47 -2.148 8.301 -10.883 1.00 0.00 C ATOM 717 C VAL A 47 -2.781 9.485 -11.578 1.00 0.00 C ATOM 718 O VAL A 47 -2.487 10.625 -11.229 1.00 0.00 O ATOM 719 CB VAL A 47 -0.991 7.746 -11.716 1.00 0.00 C ATOM 720 CG1 VAL A 47 -1.276 7.328 -13.157 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.195 8.711 -11.744 1.00 0.00 C ATOM 0 H VAL A 47 -2.909 6.344 -10.949 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.752 8.668 -9.936 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.776 6.821 -11.180 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.360 6.956 -13.616 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.031 6.542 -13.165 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.641 8.187 -13.720 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.998 8.284 -12.345 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.118 9.660 -12.179 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.552 8.878 -10.728 1.00 0.00 H new ATOM 731 N SER A 48 -3.675 9.226 -12.531 1.00 0.00 N ATOM 732 CA SER A 48 -4.361 10.296 -13.246 1.00 0.00 C ATOM 733 C SER A 48 -5.247 11.125 -12.302 1.00 0.00 C ATOM 734 O SER A 48 -5.336 12.346 -12.432 1.00 0.00 O ATOM 735 CB SER A 48 -5.176 9.705 -14.400 1.00 0.00 C ATOM 736 OG SER A 48 -5.709 10.730 -15.221 1.00 0.00 O ATOM 0 H SER A 48 -3.940 8.285 -12.824 1.00 0.00 H new ATOM 0 HA SER A 48 -3.614 10.975 -13.657 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.544 9.047 -14.997 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.986 9.094 -14.002 1.00 0.00 H new ATOM 0 HG SER A 48 -6.224 10.329 -15.952 1.00 0.00 H new ATOM 742 N ALA A 49 -5.844 10.492 -11.288 1.00 0.00 N ATOM 743 CA ALA A 49 -6.632 11.165 -10.258 1.00 0.00 C ATOM 744 C ALA A 49 -5.743 11.986 -9.306 1.00 0.00 C ATOM 745 O ALA A 49 -6.040 13.155 -9.047 1.00 0.00 O ATOM 746 CB ALA A 49 -7.478 10.130 -9.509 1.00 0.00 C ATOM 0 H ALA A 49 -5.791 9.481 -11.160 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.302 11.880 -10.735 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.067 10.629 -8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.146 9.630 -10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.823 9.393 -9.043 1.00 0.00 H new ATOM 752 N PHE A 50 -4.629 11.406 -8.833 1.00 0.00 N ATOM 753 CA PHE A 50 -3.585 12.099 -8.069 1.00 0.00 C ATOM 754 C PHE A 50 -3.103 13.362 -8.805 1.00 0.00 C ATOM 755 O PHE A 50 -3.152 14.464 -8.256 1.00 0.00 O ATOM 756 CB PHE A 50 -2.446 11.116 -7.721 1.00 0.00 C ATOM 757 CG PHE A 50 -1.060 11.739 -7.662 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.713 12.636 -6.633 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.148 11.489 -8.704 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.532 13.294 -6.665 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.072 12.181 -8.762 1.00 0.00 C ATOM 762 CZ PHE A 50 1.419 13.077 -7.736 1.00 0.00 C ATOM 0 H PHE A 50 -4.426 10.417 -8.976 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.000 12.451 -7.124 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.664 10.657 -6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.438 10.315 -8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.401 12.819 -5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.388 10.760 -9.464 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.807 13.967 -5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.743 12.025 -9.594 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.364 13.598 -7.769 1.00 0.00 H new ATOM 772 N GLU A 51 -2.666 13.222 -10.058 1.00 0.00 N ATOM 773 CA GLU A 51 -2.069 14.324 -10.814 1.00 0.00 C ATOM 774 C GLU A 51 -3.093 15.370 -11.291 1.00 0.00 C ATOM 775 O GLU A 51 -2.748 16.545 -11.374 1.00 0.00 O ATOM 776 CB GLU A 51 -1.170 13.773 -11.934 1.00 0.00 C ATOM 777 CG GLU A 51 -1.874 13.173 -13.154 1.00 0.00 C ATOM 778 CD GLU A 51 -1.835 14.104 -14.381 1.00 0.00 C ATOM 779 OE1 GLU A 51 -2.264 15.277 -14.280 1.00 0.00 O ATOM 780 OE2 GLU A 51 -1.357 13.674 -15.459 1.00 0.00 O ATOM 0 H GLU A 51 -2.716 12.344 -10.576 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.431 14.888 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.523 14.580 -12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.523 13.008 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.404 12.223 -13.409 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.912 12.957 -12.900 1.00 0.00 H new ATOM 787 N THR A 52 -4.365 15.013 -11.509 1.00 0.00 N ATOM 788 CA THR A 52 -5.430 15.972 -11.880 1.00 0.00 C ATOM 789 C THR A 52 -5.564 17.111 -10.861 1.00 0.00 C ATOM 790 O THR A 52 -5.693 18.276 -11.242 1.00 0.00 O ATOM 791 CB THR A 52 -6.787 15.263 -12.062 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.764 14.484 -13.237 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.973 16.218 -12.225 1.00 0.00 C ATOM 0 H THR A 52 -4.692 14.050 -11.435 1.00 0.00 H new ATOM 0 HA THR A 52 -5.133 16.409 -12.833 1.00 0.00 H new ATOM 0 HB THR A 52 -6.922 14.676 -11.154 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.510 13.564 -13.015 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.890 15.642 -12.348 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.057 16.849 -11.340 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.818 16.844 -13.103 1.00 0.00 H new ATOM 801 N PHE A 53 -5.490 16.799 -9.563 1.00 0.00 N ATOM 802 CA PHE A 53 -5.599 17.765 -8.468 1.00 0.00 C ATOM 803 C PHE A 53 -4.257 18.420 -8.081 1.00 0.00 C ATOM 804 O PHE A 53 -4.176 19.048 -7.021 1.00 0.00 O ATOM 805 CB PHE A 53 -6.339 17.122 -7.274 1.00 0.00 C ATOM 806 CG PHE A 53 -7.856 17.117 -7.385 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.562 18.324 -7.563 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.575 15.917 -7.231 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.968 18.324 -7.615 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.980 15.918 -7.264 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.678 17.121 -7.465 1.00 0.00 C ATOM 0 H PHE A 53 -5.349 15.843 -9.238 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.198 18.603 -8.823 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.994 16.094 -7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.058 17.652 -6.364 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.021 19.254 -7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.043 14.988 -7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.502 19.250 -7.770 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.524 14.994 -7.135 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.757 17.121 -7.504 1.00 0.00 H new ATOM 821 N ARG A 54 -3.210 18.359 -8.930 1.00 0.00 N ATOM 822 CA ARG A 54 -1.918 19.039 -8.676 1.00 0.00 C ATOM 823 C ARG A 54 -2.071 20.518 -8.311 1.00 0.00 C ATOM 824 O ARG A 54 -1.302 21.054 -7.523 1.00 0.00 O ATOM 825 CB ARG A 54 -0.911 18.839 -9.835 1.00 0.00 C ATOM 826 CG ARG A 54 -0.988 19.802 -11.045 1.00 0.00 C ATOM 827 CD ARG A 54 -2.149 19.601 -12.030 1.00 0.00 C ATOM 828 NE ARG A 54 -1.850 18.562 -13.031 1.00 0.00 N ATOM 829 CZ ARG A 54 -1.184 18.677 -14.165 1.00 0.00 C ATOM 830 NH1 ARG A 54 -0.648 19.801 -14.552 1.00 0.00 N ATOM 831 NH2 ARG A 54 -1.039 17.648 -14.943 1.00 0.00 N ATOM 0 H ARG A 54 -3.234 17.840 -9.808 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.502 18.550 -7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.094 18.907 -9.418 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.032 17.823 -10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.042 20.821 -10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.055 19.720 -11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.048 19.326 -11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.362 20.542 -12.537 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.205 17.629 -12.820 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.735 20.635 -13.971 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.141 19.847 -15.436 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.440 16.748 -14.679 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.524 17.739 -15.819 1.00 0.00 H new ATOM 845 N GLU A 55 -3.097 21.161 -8.866 1.00 0.00 N ATOM 846 CA GLU A 55 -3.430 22.581 -8.684 1.00 0.00 C ATOM 847 C GLU A 55 -3.760 22.972 -7.229 1.00 0.00 C ATOM 848 O GLU A 55 -3.708 24.152 -6.878 1.00 0.00 O ATOM 849 CB GLU A 55 -4.611 22.959 -9.595 1.00 0.00 C ATOM 850 CG GLU A 55 -4.429 22.491 -11.046 1.00 0.00 C ATOM 851 CD GLU A 55 -5.378 23.245 -11.999 1.00 0.00 C ATOM 852 OE1 GLU A 55 -6.581 22.893 -12.074 1.00 0.00 O ATOM 853 OE2 GLU A 55 -4.926 24.198 -12.681 1.00 0.00 O ATOM 0 H GLU A 55 -3.753 20.686 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.532 23.136 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.526 22.525 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.739 24.041 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.396 22.651 -11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.619 21.420 -11.112 1.00 0.00 H new ATOM 860 N GLU A 56 -4.090 22.002 -6.370 1.00 0.00 N ATOM 861 CA GLU A 56 -4.421 22.215 -4.953 1.00 0.00 C ATOM 862 C GLU A 56 -3.207 22.624 -4.087 1.00 0.00 C ATOM 863 O GLU A 56 -3.386 23.232 -3.029 1.00 0.00 O ATOM 864 CB GLU A 56 -5.100 20.938 -4.420 1.00 0.00 C ATOM 865 CG GLU A 56 -5.710 21.101 -3.022 1.00 0.00 C ATOM 866 CD GLU A 56 -6.657 19.933 -2.687 1.00 0.00 C ATOM 867 OE1 GLU A 56 -6.180 18.871 -2.220 1.00 0.00 O ATOM 868 OE2 GLU A 56 -7.891 20.080 -2.870 1.00 0.00 O ATOM 0 H GLU A 56 -4.136 21.021 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.102 23.063 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.883 20.636 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.368 20.131 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.914 21.152 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.257 22.043 -2.969 1.00 0.00 H new ATOM 875 N SER A 57 -1.974 22.342 -4.531 1.00 0.00 N ATOM 876 CA SER A 57 -0.728 22.649 -3.811 1.00 0.00 C ATOM 877 C SER A 57 0.412 23.002 -4.769 1.00 0.00 C ATOM 878 O SER A 57 0.715 22.248 -5.695 1.00 0.00 O ATOM 879 CB SER A 57 -0.338 21.449 -2.945 1.00 0.00 C ATOM 880 OG SER A 57 0.964 21.634 -2.416 1.00 0.00 O ATOM 0 H SER A 57 -1.810 21.881 -5.426 1.00 0.00 H new ATOM 0 HA SER A 57 -0.903 23.522 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.055 21.328 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.372 20.536 -3.539 1.00 0.00 H new ATOM 0 HG SER A 57 1.205 20.862 -1.862 1.00 0.00 H new ATOM 886 N LEU A 58 1.088 24.135 -4.540 1.00 0.00 N ATOM 887 CA LEU A 58 2.162 24.633 -5.409 1.00 0.00 C ATOM 888 C LEU A 58 3.329 23.647 -5.568 1.00 0.00 C ATOM 889 O LEU A 58 3.926 23.579 -6.642 1.00 0.00 O ATOM 890 CB LEU A 58 2.668 25.998 -4.914 1.00 0.00 C ATOM 891 CG LEU A 58 1.637 27.147 -4.944 1.00 0.00 C ATOM 892 CD1 LEU A 58 2.363 28.469 -4.704 1.00 0.00 C ATOM 893 CD2 LEU A 58 0.893 27.285 -6.275 1.00 0.00 C ATOM 0 H LEU A 58 0.903 24.738 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 58 1.724 24.747 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.026 25.883 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.526 26.288 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 58 0.905 26.911 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.644 29.288 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.856 28.442 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.108 28.622 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.188 28.114 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.609 27.476 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.351 26.363 -6.486 1.00 0.00 H new ATOM 905 N VAL A 59 3.628 22.852 -4.536 1.00 0.00 N ATOM 906 CA VAL A 59 4.682 21.823 -4.593 1.00 0.00 C ATOM 907 C VAL A 59 4.233 20.543 -5.314 1.00 0.00 C ATOM 908 O VAL A 59 5.070 19.800 -5.829 1.00 0.00 O ATOM 909 CB VAL A 59 5.268 21.496 -3.203 1.00 0.00 C ATOM 910 CG1 VAL A 59 5.560 22.761 -2.388 1.00 0.00 C ATOM 911 CG2 VAL A 59 4.396 20.601 -2.325 1.00 0.00 C ATOM 0 H VAL A 59 3.149 22.900 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 59 5.480 22.264 -5.190 1.00 0.00 H new ATOM 0 HB VAL A 59 6.181 20.954 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.971 22.482 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.280 23.380 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.637 23.322 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.895 20.430 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.436 21.087 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.234 19.647 -2.826 1.00 0.00 H new ATOM 921 N CYS A 60 2.921 20.282 -5.388 1.00 0.00 N ATOM 922 CA CYS A 60 2.353 19.103 -6.048 1.00 0.00 C ATOM 923 C CYS A 60 2.404 19.220 -7.580 1.00 0.00 C ATOM 924 O CYS A 60 2.466 18.207 -8.276 1.00 0.00 O ATOM 925 CB CYS A 60 0.913 18.898 -5.559 1.00 0.00 C ATOM 926 SG CYS A 60 0.358 17.223 -5.987 1.00 0.00 S ATOM 0 H CYS A 60 2.214 20.896 -4.983 1.00 0.00 H new ATOM 0 HA CYS A 60 2.955 18.234 -5.783 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.860 19.045 -4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.255 19.638 -6.014 1.00 0.00 H new ATOM 0 HG CYS A 60 0.934 16.843 -7.089 1.00 0.00 H new ATOM 932 N LYS A 61 2.454 20.449 -8.115 1.00 0.00 N ATOM 933 CA LYS A 61 2.623 20.749 -9.549 1.00 0.00 C ATOM 934 C LYS A 61 3.925 20.213 -10.171 1.00 0.00 C ATOM 935 O LYS A 61 4.009 20.117 -11.394 1.00 0.00 O ATOM 936 CB LYS A 61 2.462 22.266 -9.764 1.00 0.00 C ATOM 937 CG LYS A 61 0.972 22.664 -9.770 1.00 0.00 C ATOM 938 CD LYS A 61 0.624 23.926 -8.973 1.00 0.00 C ATOM 939 CE LYS A 61 1.455 25.176 -9.317 1.00 0.00 C ATOM 940 NZ LYS A 61 1.204 25.661 -10.702 1.00 0.00 N ATOM 0 H LYS A 61 2.376 21.291 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 61 1.841 20.209 -10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.984 22.807 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.924 22.555 -10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.657 22.809 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.390 21.832 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.430 24.156 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.747 23.710 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.221 25.971 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.515 24.948 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.786 26.503 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.452 24.914 -11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.199 25.905 -10.807 1.00 0.00 H new ATOM 954 N ASP A 62 4.902 19.809 -9.353 1.00 0.00 N ATOM 955 CA ASP A 62 6.137 19.128 -9.778 1.00 0.00 C ATOM 956 C ASP A 62 6.225 17.651 -9.331 1.00 0.00 C ATOM 957 O ASP A 62 7.143 16.938 -9.748 1.00 0.00 O ATOM 958 CB ASP A 62 7.351 19.911 -9.255 1.00 0.00 C ATOM 959 CG ASP A 62 7.476 21.309 -9.877 1.00 0.00 C ATOM 960 OD1 ASP A 62 7.530 21.427 -11.124 1.00 0.00 O ATOM 961 OD2 ASP A 62 7.604 22.292 -9.110 1.00 0.00 O ATOM 0 H ASP A 62 4.857 19.950 -8.344 1.00 0.00 H new ATOM 0 HA ASP A 62 6.127 19.109 -10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.276 20.007 -8.172 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.259 19.344 -9.463 1.00 0.00 H new ATOM 966 N ALA A 63 5.292 17.168 -8.502 1.00 0.00 N ATOM 967 CA ALA A 63 5.287 15.800 -7.983 1.00 0.00 C ATOM 968 C ALA A 63 4.916 14.758 -9.059 1.00 0.00 C ATOM 969 O ALA A 63 4.087 15.012 -9.939 1.00 0.00 O ATOM 970 CB ALA A 63 4.303 15.724 -6.807 1.00 0.00 C ATOM 0 H ALA A 63 4.507 17.728 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 63 6.298 15.558 -7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.289 14.709 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.617 16.416 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.304 15.993 -7.150 1.00 0.00 H new ATOM 976 N ILE A 64 5.480 13.553 -8.936 1.00 0.00 N ATOM 977 CA ILE A 64 5.175 12.363 -9.750 1.00 0.00 C ATOM 978 C ILE A 64 4.932 11.164 -8.810 1.00 0.00 C ATOM 979 O ILE A 64 5.485 11.097 -7.710 1.00 0.00 O ATOM 980 CB ILE A 64 6.313 12.134 -10.782 1.00 0.00 C ATOM 981 CG1 ILE A 64 6.356 13.288 -11.815 1.00 0.00 C ATOM 982 CG2 ILE A 64 6.194 10.777 -11.504 1.00 0.00 C ATOM 983 CD1 ILE A 64 7.555 13.249 -12.772 1.00 0.00 C ATOM 0 H ILE A 64 6.196 13.367 -8.234 1.00 0.00 H new ATOM 0 HA ILE A 64 4.262 12.500 -10.330 1.00 0.00 H new ATOM 0 HB ILE A 64 7.247 12.120 -10.220 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.439 13.265 -12.403 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.367 14.237 -11.279 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.014 10.669 -12.214 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.239 9.970 -10.772 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.245 10.731 -12.037 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.501 14.094 -13.458 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.480 13.306 -12.199 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.537 12.319 -13.340 1.00 0.00 H new ATOM 995 N LEU A 65 4.092 10.212 -9.221 1.00 0.00 N ATOM 996 CA LEU A 65 3.760 9.024 -8.432 1.00 0.00 C ATOM 997 C LEU A 65 4.785 7.895 -8.651 1.00 0.00 C ATOM 998 O LEU A 65 5.186 7.625 -9.784 1.00 0.00 O ATOM 999 CB LEU A 65 2.358 8.582 -8.873 1.00 0.00 C ATOM 1000 CG LEU A 65 1.655 7.585 -7.941 1.00 0.00 C ATOM 1001 CD1 LEU A 65 1.136 8.263 -6.677 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.490 6.936 -8.664 1.00 0.00 C ATOM 0 H LEU A 65 3.617 10.245 -10.123 1.00 0.00 H new ATOM 0 HA LEU A 65 3.784 9.254 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.730 9.468 -8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.432 8.135 -9.865 1.00 0.00 H new ATOM 0 HG LEU A 65 2.389 6.833 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.645 7.524 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.970 8.709 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.422 9.040 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.004 6.230 -7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.221 7.703 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.857 6.408 -9.544 1.00 0.00 H new ATOM 1014 N ASP A 66 5.156 7.186 -7.585 1.00 0.00 N ATOM 1015 CA ASP A 66 5.998 5.983 -7.618 1.00 0.00 C ATOM 1016 C ASP A 66 5.211 4.764 -7.103 1.00 0.00 C ATOM 1017 O ASP A 66 5.163 4.481 -5.903 1.00 0.00 O ATOM 1018 CB ASP A 66 7.312 6.236 -6.861 1.00 0.00 C ATOM 1019 CG ASP A 66 8.363 5.127 -7.050 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.157 4.194 -7.861 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.438 5.220 -6.409 1.00 0.00 O ATOM 0 H ASP A 66 4.870 7.440 -6.639 1.00 0.00 H new ATOM 0 HA ASP A 66 6.276 5.751 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.735 7.184 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.094 6.339 -5.798 1.00 0.00 H new ATOM 1026 N ILE A 67 4.519 4.088 -8.026 1.00 0.00 N ATOM 1027 CA ILE A 67 3.682 2.904 -7.777 1.00 0.00 C ATOM 1028 C ILE A 67 4.569 1.686 -7.467 1.00 0.00 C ATOM 1029 O ILE A 67 5.341 1.235 -8.318 1.00 0.00 O ATOM 1030 CB ILE A 67 2.754 2.627 -8.987 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.792 3.809 -9.261 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.918 1.354 -8.737 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.291 3.868 -10.712 1.00 0.00 C ATOM 0 H ILE A 67 4.525 4.360 -9.009 1.00 0.00 H new ATOM 0 HA ILE A 67 3.049 3.096 -6.911 1.00 0.00 H new ATOM 0 HB ILE A 67 3.396 2.494 -9.858 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.935 3.732 -8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.300 4.743 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.270 1.170 -9.594 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.584 0.503 -8.597 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.308 1.489 -7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.622 4.720 -10.832 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.141 3.976 -11.386 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.754 2.949 -10.949 1.00 0.00 H new ATOM 1045 N VAL A 68 4.438 1.136 -6.258 1.00 0.00 N ATOM 1046 CA VAL A 68 5.129 -0.072 -5.778 1.00 0.00 C ATOM 1047 C VAL A 68 4.150 -1.245 -5.710 1.00 0.00 C ATOM 1048 O VAL A 68 3.112 -1.165 -5.055 1.00 0.00 O ATOM 1049 CB VAL A 68 5.786 0.181 -4.406 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.446 -1.079 -3.829 1.00 0.00 C ATOM 1051 CG2 VAL A 68 6.872 1.258 -4.521 1.00 0.00 C ATOM 0 H VAL A 68 3.820 1.536 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 68 5.921 -0.324 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 68 4.983 0.500 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.893 -0.846 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.694 -1.858 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.220 -1.430 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.325 1.424 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.637 0.930 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.427 2.187 -4.877 1.00 0.00 H new ATOM 1061 N ASP A 69 4.485 -2.343 -6.382 1.00 0.00 N ATOM 1062 CA ASP A 69 3.808 -3.639 -6.282 1.00 0.00 C ATOM 1063 C ASP A 69 4.104 -4.324 -4.929 1.00 0.00 C ATOM 1064 O ASP A 69 5.120 -4.997 -4.749 1.00 0.00 O ATOM 1065 CB ASP A 69 4.157 -4.520 -7.496 1.00 0.00 C ATOM 1066 CG ASP A 69 5.661 -4.805 -7.689 1.00 0.00 C ATOM 1067 OD1 ASP A 69 6.457 -3.840 -7.818 1.00 0.00 O ATOM 1068 OD2 ASP A 69 6.046 -5.995 -7.791 1.00 0.00 O ATOM 0 H ASP A 69 5.266 -2.358 -7.038 1.00 0.00 H new ATOM 0 HA ASP A 69 2.730 -3.478 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.633 -5.471 -7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.776 -4.038 -8.396 1.00 0.00 H new ATOM 1073 N GLU A 70 3.228 -4.112 -3.947 1.00 0.00 N ATOM 1074 CA GLU A 70 3.317 -4.694 -2.602 1.00 0.00 C ATOM 1075 C GLU A 70 2.923 -6.179 -2.596 1.00 0.00 C ATOM 1076 O GLU A 70 1.927 -6.577 -3.204 1.00 0.00 O ATOM 1077 CB GLU A 70 2.398 -3.919 -1.639 1.00 0.00 C ATOM 1078 CG GLU A 70 3.070 -2.681 -1.033 1.00 0.00 C ATOM 1079 CD GLU A 70 4.031 -3.073 0.105 1.00 0.00 C ATOM 1080 OE1 GLU A 70 3.563 -3.233 1.257 1.00 0.00 O ATOM 1081 OE2 GLU A 70 5.246 -3.250 -0.152 1.00 0.00 O ATOM 0 H GLU A 70 2.411 -3.513 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 70 4.354 -4.618 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.498 -3.612 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.081 -4.583 -0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.618 -2.145 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.309 -2.000 -0.652 1.00 0.00 H new ATOM 1088 N LYS A 71 3.663 -7.002 -1.846 1.00 0.00 N ATOM 1089 CA LYS A 71 3.276 -8.390 -1.549 1.00 0.00 C ATOM 1090 C LYS A 71 2.009 -8.436 -0.687 1.00 0.00 C ATOM 1091 O LYS A 71 1.674 -7.457 -0.015 1.00 0.00 O ATOM 1092 CB LYS A 71 4.438 -9.134 -0.859 1.00 0.00 C ATOM 1093 CG LYS A 71 5.768 -9.140 -1.636 1.00 0.00 C ATOM 1094 CD LYS A 71 5.662 -9.771 -3.035 1.00 0.00 C ATOM 1095 CE LYS A 71 7.005 -9.780 -3.780 1.00 0.00 C ATOM 1096 NZ LYS A 71 7.982 -10.732 -3.188 1.00 0.00 N ATOM 0 H LYS A 71 4.550 -6.726 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 71 3.055 -8.893 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.609 -8.681 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.134 -10.166 -0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.126 -8.115 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.515 -9.684 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.295 -10.793 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.928 -9.221 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.835 -10.042 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.429 -8.776 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.858 -10.723 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.194 -10.449 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.578 -11.690 -3.191 1.00 0.00 H new ATOM 1110 N VAL A 72 1.340 -9.588 -0.649 1.00 0.00 N ATOM 1111 CA VAL A 72 0.171 -9.859 0.212 1.00 0.00 C ATOM 1112 C VAL A 72 0.468 -10.946 1.250 1.00 0.00 C ATOM 1113 O VAL A 72 1.313 -11.813 1.021 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.077 -10.226 -0.613 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -1.610 -9.014 -1.382 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -0.821 -11.361 -1.608 1.00 0.00 C ATOM 0 H VAL A 72 1.597 -10.386 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.041 -8.933 0.746 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.817 -10.565 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.491 -9.305 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.879 -8.226 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.841 -8.647 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.736 -11.575 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.038 -11.064 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.506 -12.254 -1.068 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.221 -10.919 2.396 1.00 0.00 N ATOM 1127 CA GLU A 73 0.025 -11.867 3.497 1.00 0.00 C ATOM 1128 C GLU A 73 -1.225 -12.134 4.357 1.00 0.00 C ATOM 1129 O GLU A 73 -2.042 -11.236 4.585 1.00 0.00 O ATOM 1130 CB GLU A 73 1.192 -11.343 4.358 1.00 0.00 C ATOM 1131 CG GLU A 73 2.132 -12.475 4.773 1.00 0.00 C ATOM 1132 CD GLU A 73 3.369 -11.945 5.527 1.00 0.00 C ATOM 1133 OE1 GLU A 73 3.218 -11.232 6.548 1.00 0.00 O ATOM 1134 OE2 GLU A 73 4.513 -12.240 5.100 1.00 0.00 O ATOM 0 H GLU A 73 -0.962 -10.245 2.590 1.00 0.00 H new ATOM 0 HA GLU A 73 0.288 -12.829 3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.750 -10.592 3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.798 -10.851 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.594 -13.180 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.453 -13.024 3.888 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.369 -13.377 4.833 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.566 -13.952 5.463 1.00 0.00 C ATOM 1143 C LEU A 74 -2.259 -14.494 6.880 1.00 0.00 C ATOM 1144 O LEU A 74 -1.767 -15.613 7.033 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.122 -15.084 4.569 1.00 0.00 C ATOM 1146 CG LEU A 74 -4.056 -14.739 3.390 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -5.466 -14.399 3.859 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -3.574 -13.585 2.516 1.00 0.00 C ATOM 0 H LEU A 74 -0.605 -14.051 4.786 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.311 -13.163 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.269 -15.625 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.658 -15.777 5.217 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.051 -15.649 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.089 -14.163 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.889 -15.252 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.430 -13.538 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.291 -13.412 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.483 -12.683 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.603 -13.834 2.088 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.536 -13.705 7.919 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.611 -14.140 9.321 1.00 0.00 C ATOM 1162 C GLU A 75 -3.822 -15.048 9.578 1.00 0.00 C ATOM 1163 O GLU A 75 -4.857 -14.919 8.926 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.721 -12.914 10.257 1.00 0.00 C ATOM 1165 CG GLU A 75 -1.376 -12.462 10.829 1.00 0.00 C ATOM 1166 CD GLU A 75 -1.544 -11.279 11.802 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -1.613 -10.116 11.337 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -1.591 -11.499 13.036 1.00 0.00 O ATOM 0 H GLU A 75 -2.722 -12.708 7.807 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.699 -14.701 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.170 -12.086 9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.395 -13.154 11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.901 -13.295 11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.712 -12.173 10.014 1.00 0.00 H new ATOM 1175 N CYS A 76 -3.728 -15.908 10.594 1.00 0.00 N ATOM 1176 CA CYS A 76 -4.888 -16.541 11.216 1.00 0.00 C ATOM 1177 C CYS A 76 -5.587 -15.589 12.219 1.00 0.00 C ATOM 1178 O CYS A 76 -5.009 -14.604 12.689 1.00 0.00 O ATOM 1179 CB CYS A 76 -4.391 -17.806 11.915 1.00 0.00 C ATOM 1180 SG CYS A 76 -5.747 -18.978 12.209 1.00 0.00 S ATOM 0 H CYS A 76 -2.839 -16.185 11.009 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.633 -16.786 10.459 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.623 -18.282 11.306 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.926 -17.540 12.864 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.343 -20.185 11.942 1.00 0.00 H new ATOM 1185 N LYS A 77 -6.832 -15.914 12.580 1.00 0.00 N ATOM 1186 CA LYS A 77 -7.675 -15.192 13.557 1.00 0.00 C ATOM 1187 C LYS A 77 -7.166 -15.259 15.004 1.00 0.00 C ATOM 1188 O LYS A 77 -6.768 -14.240 15.567 1.00 0.00 O ATOM 1189 CB LYS A 77 -9.128 -15.702 13.472 1.00 0.00 C ATOM 1190 CG LYS A 77 -9.899 -15.129 12.271 1.00 0.00 C ATOM 1191 CD LYS A 77 -10.280 -13.644 12.404 1.00 0.00 C ATOM 1192 CE LYS A 77 -11.260 -13.391 13.547 1.00 0.00 C ATOM 1193 NZ LYS A 77 -11.730 -11.981 13.574 1.00 0.00 N ATOM 0 H LYS A 77 -7.308 -16.725 12.184 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.626 -14.139 13.280 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.122 -16.790 13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.653 -15.441 14.391 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.294 -15.256 11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.808 -15.713 12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.378 -13.054 12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.722 -13.301 11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.117 -14.057 13.444 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.781 -13.632 14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.393 -11.851 14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.916 -11.346 13.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.210 -11.758 12.679 1.00 0.00 H new ATOM 1207 N ASP A 78 -7.235 -16.438 15.622 1.00 0.00 N ATOM 1208 CA ASP A 78 -7.043 -16.665 17.067 1.00 0.00 C ATOM 1209 C ASP A 78 -5.957 -17.731 17.319 1.00 0.00 C ATOM 1210 O ASP A 78 -6.200 -18.800 17.886 1.00 0.00 O ATOM 1211 CB ASP A 78 -8.402 -16.992 17.709 1.00 0.00 C ATOM 1212 CG ASP A 78 -8.330 -17.125 19.244 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -7.613 -16.328 19.897 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -9.031 -17.999 19.812 1.00 0.00 O ATOM 0 H ASP A 78 -7.434 -17.300 15.115 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.670 -15.761 17.548 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.116 -16.210 17.451 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.782 -17.923 17.287 1.00 0.00 H new ATOM 1219 N CYS A 79 -4.759 -17.433 16.811 1.00 0.00 N ATOM 1220 CA CYS A 79 -3.672 -18.370 16.544 1.00 0.00 C ATOM 1221 C CYS A 79 -2.294 -17.768 16.898 1.00 0.00 C ATOM 1222 O CYS A 79 -2.183 -16.831 17.695 1.00 0.00 O ATOM 1223 CB CYS A 79 -3.782 -18.661 15.045 1.00 0.00 C ATOM 1224 SG CYS A 79 -3.339 -20.353 14.570 1.00 0.00 S ATOM 0 H CYS A 79 -4.510 -16.476 16.562 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.753 -19.271 17.151 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -4.805 -18.464 14.724 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.139 -17.966 14.505 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.491 -20.498 13.287 1.00 0.00 H new ATOM 1229 N SER A 80 -1.247 -18.286 16.252 1.00 0.00 N ATOM 1230 CA SER A 80 0.075 -17.649 16.162 1.00 0.00 C ATOM 1231 C SER A 80 0.794 -18.087 14.876 1.00 0.00 C ATOM 1232 O SER A 80 1.832 -18.756 14.909 1.00 0.00 O ATOM 1233 CB SER A 80 0.897 -17.920 17.435 1.00 0.00 C ATOM 1234 OG SER A 80 2.004 -17.032 17.508 1.00 0.00 O ATOM 0 H SER A 80 -1.293 -19.181 15.765 1.00 0.00 H new ATOM 0 HA SER A 80 -0.049 -16.568 16.100 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.266 -17.798 18.316 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.249 -18.951 17.435 1.00 0.00 H new ATOM 0 HG SER A 80 2.517 -17.215 18.323 1.00 0.00 H new ATOM 1240 N HIS A 81 0.200 -17.767 13.718 1.00 0.00 N ATOM 1241 CA HIS A 81 0.756 -18.063 12.396 1.00 0.00 C ATOM 1242 C HIS A 81 0.286 -17.077 11.306 1.00 0.00 C ATOM 1243 O HIS A 81 -0.798 -16.488 11.387 1.00 0.00 O ATOM 1244 CB HIS A 81 0.377 -19.504 12.024 1.00 0.00 C ATOM 1245 CG HIS A 81 0.994 -19.951 10.728 1.00 0.00 C ATOM 1246 ND1 HIS A 81 2.343 -19.995 10.449 1.00 0.00 N ATOM 1247 CD2 HIS A 81 0.312 -20.275 9.589 1.00 0.00 C ATOM 1248 CE1 HIS A 81 2.478 -20.321 9.152 1.00 0.00 C ATOM 1249 NE2 HIS A 81 1.268 -20.498 8.594 1.00 0.00 N ATOM 0 H HIS A 81 -0.698 -17.286 13.676 1.00 0.00 H new ATOM 0 HA HIS A 81 1.839 -17.950 12.449 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.692 -20.176 12.822 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.708 -19.583 11.951 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.101 -19.813 11.107 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.760 -20.345 9.479 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.420 -20.425 8.634 1.00 0.00 H new ATOM 1257 N VAL A 82 1.105 -16.935 10.258 1.00 0.00 N ATOM 1258 CA VAL A 82 0.837 -16.206 9.011 1.00 0.00 C ATOM 1259 C VAL A 82 1.648 -16.796 7.854 1.00 0.00 C ATOM 1260 O VAL A 82 2.817 -17.152 8.017 1.00 0.00 O ATOM 1261 CB VAL A 82 1.086 -14.689 9.185 1.00 0.00 C ATOM 1262 CG1 VAL A 82 2.306 -14.286 10.007 1.00 0.00 C ATOM 1263 CG2 VAL A 82 1.177 -13.912 7.873 1.00 0.00 C ATOM 0 H VAL A 82 2.035 -17.354 10.257 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.218 -16.326 8.763 1.00 0.00 H new ATOM 0 HB VAL A 82 0.188 -14.422 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.370 -13.199 10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.214 -14.689 11.016 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.207 -14.682 9.539 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.352 -12.858 8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.000 -14.303 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.244 -14.020 7.321 1.00 0.00 H new ATOM 1273 N PHE A 83 1.018 -16.879 6.681 1.00 0.00 N ATOM 1274 CA PHE A 83 1.592 -17.379 5.428 1.00 0.00 C ATOM 1275 C PHE A 83 1.211 -16.497 4.220 1.00 0.00 C ATOM 1276 O PHE A 83 0.578 -15.448 4.376 1.00 0.00 O ATOM 1277 CB PHE A 83 1.226 -18.871 5.265 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.244 -19.281 5.288 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -1.243 -18.515 4.650 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -0.612 -20.505 5.884 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -2.567 -18.972 4.578 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -1.938 -20.960 5.820 1.00 0.00 C ATOM 1283 CZ PHE A 83 -2.920 -20.200 5.162 1.00 0.00 C ATOM 0 H PHE A 83 0.047 -16.586 6.572 1.00 0.00 H new ATOM 0 HA PHE A 83 2.679 -17.313 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.647 -19.211 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.733 -19.422 6.057 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.984 -17.563 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.133 -21.097 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.316 -18.379 4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.205 -21.900 6.279 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.938 -20.557 5.106 1.00 0.00 H new ATOM 1293 N LYS A 84 1.559 -16.925 3.000 1.00 0.00 N ATOM 1294 CA LYS A 84 1.125 -16.293 1.740 1.00 0.00 C ATOM 1295 C LYS A 84 -0.149 -16.967 1.183 1.00 0.00 C ATOM 1296 O LYS A 84 -0.360 -18.155 1.445 1.00 0.00 O ATOM 1297 CB LYS A 84 2.287 -16.295 0.724 1.00 0.00 C ATOM 1298 CG LYS A 84 2.634 -17.677 0.152 1.00 0.00 C ATOM 1299 CD LYS A 84 3.766 -17.556 -0.878 1.00 0.00 C ATOM 1300 CE LYS A 84 4.092 -18.907 -1.522 1.00 0.00 C ATOM 1301 NZ LYS A 84 3.024 -19.364 -2.454 1.00 0.00 N ATOM 0 H LYS A 84 2.161 -17.735 2.854 1.00 0.00 H new ATOM 0 HA LYS A 84 0.858 -15.255 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.033 -15.629 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.174 -15.882 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.936 -18.347 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.753 -18.117 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.480 -16.844 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.658 -17.159 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.035 -18.830 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.233 -19.654 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.321 -20.248 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.146 -19.529 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.859 -18.635 -3.177 1.00 0.00 H new ATOM 1315 N PRO A 85 -0.987 -16.253 0.408 1.00 0.00 N ATOM 1316 CA PRO A 85 -2.149 -16.834 -0.268 1.00 0.00 C ATOM 1317 C PRO A 85 -1.756 -17.627 -1.533 1.00 0.00 C ATOM 1318 O PRO A 85 -0.573 -17.779 -1.851 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.050 -15.632 -0.569 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.062 -14.492 -0.804 1.00 0.00 C ATOM 1321 CD PRO A 85 -0.869 -14.836 0.092 1.00 0.00 C ATOM 0 HA PRO A 85 -2.659 -17.575 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.674 -15.808 -1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.721 -15.416 0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.768 -14.430 -1.852 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.495 -13.528 -0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.072 -14.629 -0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.879 -14.233 1.000 1.00 0.00 H new ATOM 1329 N ASN A 86 -2.764 -18.117 -2.264 1.00 0.00 N ATOM 1330 CA ASN A 86 -2.670 -18.948 -3.472 1.00 0.00 C ATOM 1331 C ASN A 86 -1.896 -20.258 -3.247 1.00 0.00 C ATOM 1332 O ASN A 86 -0.710 -20.393 -3.564 1.00 0.00 O ATOM 1333 CB ASN A 86 -2.111 -18.131 -4.643 1.00 0.00 C ATOM 1334 CG ASN A 86 -2.453 -18.744 -5.991 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -1.687 -19.489 -6.585 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -3.622 -18.460 -6.520 1.00 0.00 N ATOM 0 H ASN A 86 -3.734 -17.931 -2.010 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.682 -19.259 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.507 -17.117 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.028 -18.055 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.885 -18.860 -7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.266 -17.839 -6.030 1.00 0.00 H new ATOM 1405 N GLY A 91 -5.000 -24.650 2.012 1.00 0.00 N ATOM 1406 CA GLY A 91 -6.087 -23.658 2.068 1.00 0.00 C ATOM 1407 C GLY A 91 -6.460 -23.254 3.504 1.00 0.00 C ATOM 1408 O GLY A 91 -6.793 -22.097 3.766 1.00 0.00 O ATOM 0 HA2 GLY A 91 -5.789 -22.769 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.968 -24.064 1.571 1.00 0.00 H new ATOM 1412 N VAL A 92 -6.384 -24.207 4.439 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.499 -23.995 5.894 1.00 0.00 C ATOM 1414 C VAL A 92 -5.233 -23.366 6.499 1.00 0.00 C ATOM 1415 O VAL A 92 -4.157 -23.443 5.904 1.00 0.00 O ATOM 1416 CB VAL A 92 -6.801 -25.321 6.621 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -8.192 -25.853 6.261 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -5.773 -26.423 6.336 1.00 0.00 C ATOM 0 H VAL A 92 -6.235 -25.187 4.198 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.325 -23.299 6.036 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.751 -25.076 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.372 -26.788 6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.947 -25.122 6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.248 -26.028 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.048 -27.327 6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.753 -26.635 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.786 -26.092 6.659 1.00 0.00 H new ATOM 1428 N CYS A 93 -5.343 -22.811 7.712 1.00 0.00 N ATOM 1429 CA CYS A 93 -4.201 -22.446 8.559 1.00 0.00 C ATOM 1430 C CYS A 93 -3.354 -23.707 8.859 1.00 0.00 C ATOM 1431 O CYS A 93 -3.893 -24.792 9.111 1.00 0.00 O ATOM 1432 CB CYS A 93 -4.730 -21.693 9.795 1.00 0.00 C ATOM 1433 SG CYS A 93 -3.588 -21.738 11.215 1.00 0.00 S ATOM 0 H CYS A 93 -6.244 -22.599 8.140 1.00 0.00 H new ATOM 0 HA CYS A 93 -3.516 -21.761 8.059 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.920 -20.654 9.524 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.685 -22.125 10.093 1.00 0.00 H new ATOM 0 HG CYS A 93 -4.261 -21.952 12.306 1.00 0.00 H new ATOM 1438 N GLU A 94 -2.021 -23.598 8.752 1.00 0.00 N ATOM 1439 CA GLU A 94 -1.141 -24.771 8.875 1.00 0.00 C ATOM 1440 C GLU A 94 -1.113 -25.358 10.298 1.00 0.00 C ATOM 1441 O GLU A 94 -0.833 -26.549 10.471 1.00 0.00 O ATOM 1442 CB GLU A 94 0.276 -24.495 8.332 1.00 0.00 C ATOM 1443 CG GLU A 94 1.255 -23.877 9.343 1.00 0.00 C ATOM 1444 CD GLU A 94 2.679 -23.666 8.774 1.00 0.00 C ATOM 1445 OE1 GLU A 94 2.885 -23.673 7.535 1.00 0.00 O ATOM 1446 OE2 GLU A 94 3.631 -23.528 9.583 1.00 0.00 O ATOM 0 H GLU A 94 -1.532 -22.719 8.582 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.580 -25.542 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.697 -25.432 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.195 -23.828 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.861 -22.918 9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.315 -24.522 10.220 1.00 0.00 H new ATOM 1453 N LYS A 95 -1.409 -24.530 11.311 1.00 0.00 N ATOM 1454 CA LYS A 95 -1.523 -24.940 12.721 1.00 0.00 C ATOM 1455 C LYS A 95 -2.918 -25.464 13.061 1.00 0.00 C ATOM 1456 O LYS A 95 -3.043 -26.589 13.549 1.00 0.00 O ATOM 1457 CB LYS A 95 -1.167 -23.778 13.656 1.00 0.00 C ATOM 1458 CG LYS A 95 0.283 -23.315 13.480 1.00 0.00 C ATOM 1459 CD LYS A 95 0.660 -22.305 14.566 1.00 0.00 C ATOM 1460 CE LYS A 95 0.913 -22.989 15.917 1.00 0.00 C ATOM 1461 NZ LYS A 95 1.305 -22.007 16.962 1.00 0.00 N ATOM 0 H LYS A 95 -1.580 -23.534 11.171 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.814 -25.755 12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.839 -22.941 13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.326 -24.085 14.690 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.953 -24.174 13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.410 -22.864 12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.554 -21.760 14.261 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.139 -21.572 14.674 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.013 -23.517 16.232 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.699 -23.736 15.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.468 -22.503 17.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.177 -21.521 16.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.544 -21.309 17.085 1.00 0.00 H new ATOM 1475 N CYS A 96 -3.946 -24.644 12.829 1.00 0.00 N ATOM 1476 CA CYS A 96 -5.347 -24.932 13.145 1.00 0.00 C ATOM 1477 C CYS A 96 -6.197 -25.079 11.861 1.00 0.00 C ATOM 1478 O CYS A 96 -6.316 -24.159 11.055 1.00 0.00 O ATOM 1479 CB CYS A 96 -5.852 -23.937 14.212 1.00 0.00 C ATOM 1480 SG CYS A 96 -6.271 -22.289 13.620 1.00 0.00 S ATOM 0 H CYS A 96 -3.821 -23.727 12.400 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.452 -25.912 13.611 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.733 -24.364 14.690 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.086 -23.841 14.982 1.00 0.00 H new ATOM 0 HG CYS A 96 -5.300 -21.469 13.894 1.00 0.00 H new ATOM 1485 N HIS A 97 -6.716 -26.284 11.601 1.00 0.00 N ATOM 1486 CA HIS A 97 -7.222 -26.674 10.276 1.00 0.00 C ATOM 1487 C HIS A 97 -8.610 -26.086 9.918 1.00 0.00 C ATOM 1488 O HIS A 97 -9.600 -26.810 9.773 1.00 0.00 O ATOM 1489 CB HIS A 97 -7.182 -28.199 10.122 1.00 0.00 C ATOM 1490 CG HIS A 97 -5.852 -28.830 10.464 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -5.654 -29.840 11.381 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -4.635 -28.511 9.925 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -4.341 -30.130 11.396 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -3.682 -29.348 10.521 1.00 0.00 N ATOM 0 H HIS A 97 -6.798 -27.019 12.303 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.548 -26.225 9.546 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.951 -28.636 10.759 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.437 -28.454 9.093 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.444 -27.754 9.178 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.881 -30.882 12.020 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -2.680 -29.362 10.328 1.00 0.00 H new ATOM 1502 N SER A 98 -8.664 -24.768 9.720 1.00 0.00 N ATOM 1503 CA SER A 98 -9.807 -23.980 9.242 1.00 0.00 C ATOM 1504 C SER A 98 -9.330 -22.886 8.278 1.00 0.00 C ATOM 1505 O SER A 98 -8.177 -22.453 8.335 1.00 0.00 O ATOM 1506 CB SER A 98 -10.544 -23.343 10.430 1.00 0.00 C ATOM 1507 OG SER A 98 -11.271 -24.322 11.157 1.00 0.00 O ATOM 0 H SER A 98 -7.852 -24.178 9.902 1.00 0.00 H new ATOM 0 HA SER A 98 -10.492 -24.644 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.826 -22.853 11.088 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.225 -22.571 10.070 1.00 0.00 H new ATOM 0 HG SER A 98 -10.939 -25.215 10.926 1.00 0.00 H new ATOM 1513 N LYS A 99 -10.208 -22.421 7.379 1.00 0.00 N ATOM 1514 CA LYS A 99 -9.902 -21.431 6.319 1.00 0.00 C ATOM 1515 C LYS A 99 -10.174 -19.975 6.741 1.00 0.00 C ATOM 1516 O LYS A 99 -10.335 -19.090 5.901 1.00 0.00 O ATOM 1517 CB LYS A 99 -10.627 -21.818 5.012 1.00 0.00 C ATOM 1518 CG LYS A 99 -10.265 -23.239 4.546 1.00 0.00 C ATOM 1519 CD LYS A 99 -10.717 -23.511 3.106 1.00 0.00 C ATOM 1520 CE LYS A 99 -10.370 -24.954 2.717 1.00 0.00 C ATOM 1521 NZ LYS A 99 -10.793 -25.260 1.325 1.00 0.00 N ATOM 0 H LYS A 99 -11.181 -22.728 7.363 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.827 -21.465 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.704 -21.750 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.369 -21.104 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.187 -23.379 4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.727 -23.967 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.791 -23.348 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.230 -22.814 2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.296 -25.110 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.856 -25.645 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.544 -26.243 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.822 -25.135 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.310 -24.617 0.666 1.00 0.00 H new ATOM 1535 N ASN A 100 -10.241 -19.721 8.050 1.00 0.00 N ATOM 1536 CA ASN A 100 -10.584 -18.438 8.682 1.00 0.00 C ATOM 1537 C ASN A 100 -9.538 -17.309 8.520 1.00 0.00 C ATOM 1538 O ASN A 100 -9.754 -16.216 9.042 1.00 0.00 O ATOM 1539 CB ASN A 100 -10.865 -18.707 10.174 1.00 0.00 C ATOM 1540 CG ASN A 100 -9.626 -19.160 10.932 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -9.435 -20.336 11.188 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -8.741 -18.251 11.270 1.00 0.00 N ATOM 0 H ASN A 100 -10.046 -20.446 8.741 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.461 -18.055 8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.257 -17.800 10.635 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.639 -19.469 10.262 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.885 -18.527 11.751 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.910 -17.269 11.052 1.00 0.00 H new ATOM 1549 N VAL A 101 -8.386 -17.566 7.891 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.291 -16.599 7.690 1.00 0.00 C ATOM 1551 C VAL A 101 -7.756 -15.278 7.051 1.00 0.00 C ATOM 1552 O VAL A 101 -8.644 -15.268 6.194 1.00 0.00 O ATOM 1553 CB VAL A 101 -6.137 -17.220 6.871 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -5.406 -18.310 7.663 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.585 -17.838 5.537 1.00 0.00 C ATOM 0 H VAL A 101 -8.179 -18.482 7.493 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.924 -16.353 8.686 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.475 -16.381 6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.601 -18.724 7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.989 -17.880 8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.107 -19.102 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.720 -18.253 5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.309 -18.631 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.045 -17.069 4.916 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.140 -14.158 7.451 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.455 -12.795 6.986 1.00 0.00 C ATOM 1567 C ILE A 102 -6.223 -12.050 6.458 1.00 0.00 C ATOM 1568 O ILE A 102 -5.093 -12.273 6.896 1.00 0.00 O ATOM 1569 CB ILE A 102 -8.175 -11.950 8.061 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -7.342 -11.657 9.333 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.568 -12.521 8.375 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -7.304 -12.751 10.411 1.00 0.00 C ATOM 0 H ILE A 102 -6.381 -14.173 8.132 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.144 -12.930 6.152 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.308 -10.964 7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.317 -11.449 9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.729 -10.746 9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.051 -11.906 9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -10.174 -12.521 7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.468 -13.542 8.744 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.687 -12.418 11.246 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.316 -12.949 10.764 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.882 -13.663 9.989 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.450 -11.151 5.497 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.414 -10.429 4.756 1.00 0.00 C ATOM 1586 C ILE A 103 -4.902 -9.287 5.644 1.00 0.00 C ATOM 1587 O ILE A 103 -5.574 -8.269 5.817 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.921 -9.918 3.384 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.511 -10.989 2.433 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.743 -9.266 2.633 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -7.898 -11.538 2.797 1.00 0.00 C ATOM 0 H ILE A 103 -7.393 -10.897 5.204 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.594 -11.108 4.523 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.733 -9.234 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.565 -10.563 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -5.814 -11.826 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.086 -8.902 1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.355 -8.432 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.954 -10.003 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.202 -12.279 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.858 -12.004 3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.620 -10.722 2.811 1.00 0.00 H new ATOM 1603 N THR A 104 -3.724 -9.471 6.237 1.00 0.00 N ATOM 1604 CA THR A 104 -3.102 -8.508 7.167 1.00 0.00 C ATOM 1605 C THR A 104 -2.227 -7.467 6.443 1.00 0.00 C ATOM 1606 O THR A 104 -1.773 -6.481 7.028 1.00 0.00 O ATOM 1607 CB THR A 104 -2.327 -9.277 8.252 1.00 0.00 C ATOM 1608 OG1 THR A 104 -1.918 -8.423 9.294 1.00 0.00 O ATOM 1609 CG2 THR A 104 -1.106 -10.041 7.730 1.00 0.00 C ATOM 0 H THR A 104 -3.158 -10.306 6.087 1.00 0.00 H new ATOM 0 HA THR A 104 -3.892 -7.930 7.647 1.00 0.00 H new ATOM 0 HB THR A 104 -3.037 -10.016 8.624 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.914 -8.918 10.140 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.617 -10.555 8.558 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.425 -10.772 6.987 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.406 -9.341 7.274 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.993 -7.674 5.143 1.00 0.00 N ATOM 1618 CA GLN A 105 -1.014 -6.980 4.312 1.00 0.00 C ATOM 1619 C GLN A 105 -1.524 -6.985 2.869 1.00 0.00 C ATOM 1620 O GLN A 105 -1.719 -8.048 2.280 1.00 0.00 O ATOM 1621 CB GLN A 105 0.334 -7.711 4.474 1.00 0.00 C ATOM 1622 CG GLN A 105 1.402 -7.424 3.409 1.00 0.00 C ATOM 1623 CD GLN A 105 1.802 -5.955 3.260 1.00 0.00 C ATOM 1624 OE1 GLN A 105 1.874 -5.189 4.213 1.00 0.00 O ATOM 1625 NE2 GLN A 105 2.080 -5.519 2.052 1.00 0.00 N ATOM 0 H GLN A 105 -2.515 -8.373 4.615 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.872 -5.940 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.747 -7.453 5.449 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.141 -8.784 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.294 -8.003 3.648 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.037 -7.783 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.022 -6.153 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.354 -4.547 1.911 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.774 -5.798 2.316 1.00 0.00 N ATOM 1635 CA GLY A 106 -2.186 -5.604 0.922 1.00 0.00 C ATOM 1636 C GLY A 106 -3.692 -5.725 0.643 1.00 0.00 C ATOM 1637 O GLY A 106 -4.088 -5.739 -0.523 1.00 0.00 O ATOM 0 H GLY A 106 -1.694 -4.924 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.855 -4.617 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.662 -6.333 0.304 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.540 -5.794 1.679 1.00 0.00 N ATOM 1642 CA ASN A 107 -6.007 -5.763 1.549 1.00 0.00 C ATOM 1643 C ASN A 107 -6.515 -4.442 0.927 1.00 0.00 C ATOM 1644 O ASN A 107 -7.474 -4.438 0.155 1.00 0.00 O ATOM 1645 CB ASN A 107 -6.631 -5.986 2.938 1.00 0.00 C ATOM 1646 CG ASN A 107 -8.149 -6.079 2.887 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -8.866 -5.190 3.322 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -8.693 -7.152 2.355 1.00 0.00 N ATOM 0 H ASN A 107 -4.223 -5.874 2.645 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.310 -6.559 0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.228 -6.902 3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.342 -5.168 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.708 -7.239 2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.100 -7.897 1.990 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.837 -3.336 1.236 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.987 -2.014 0.616 1.00 0.00 C ATOM 1657 C GLU A 108 -4.602 -1.416 0.314 1.00 0.00 C ATOM 1658 O GLU A 108 -3.602 -1.776 0.944 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.769 -1.065 1.545 1.00 0.00 C ATOM 1660 CG GLU A 108 -8.212 -1.515 1.811 1.00 0.00 C ATOM 1661 CD GLU A 108 -8.970 -0.464 2.645 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -8.805 -0.431 3.889 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -9.744 0.336 2.063 1.00 0.00 O ATOM 0 H GLU A 108 -5.127 -3.336 1.968 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.543 -2.131 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.242 -0.985 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.784 -0.069 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.728 -1.675 0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.209 -2.469 2.337 1.00 0.00 H new ATOM 1670 N MET A 109 -4.538 -0.478 -0.634 1.00 0.00 N ATOM 1671 CA MET A 109 -3.335 0.314 -0.920 1.00 0.00 C ATOM 1672 C MET A 109 -3.080 1.401 0.142 1.00 0.00 C ATOM 1673 O MET A 109 -4.029 1.932 0.727 1.00 0.00 O ATOM 1674 CB MET A 109 -3.458 0.946 -2.315 1.00 0.00 C ATOM 1675 CG MET A 109 -4.662 1.890 -2.458 1.00 0.00 C ATOM 1676 SD MET A 109 -4.760 2.756 -4.043 1.00 0.00 S ATOM 1677 CE MET A 109 -3.311 3.828 -3.869 1.00 0.00 C ATOM 0 H MET A 109 -5.329 -0.243 -1.233 1.00 0.00 H new ATOM 0 HA MET A 109 -2.479 -0.360 -0.892 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.545 1.499 -2.536 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.538 0.153 -3.058 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.577 1.314 -2.317 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.624 2.629 -1.658 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.614 4.870 -3.977 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.865 3.680 -2.886 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.581 3.581 -4.640 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.810 1.781 0.349 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.374 2.903 1.210 1.00 0.00 C ATOM 1689 C ARG A 110 -0.069 3.531 0.710 1.00 0.00 C ATOM 1690 O ARG A 110 0.730 2.881 0.037 1.00 0.00 O ATOM 1691 CB ARG A 110 -1.161 2.416 2.666 1.00 0.00 C ATOM 1692 CG ARG A 110 -2.431 2.143 3.492 1.00 0.00 C ATOM 1693 CD ARG A 110 -3.299 3.398 3.672 1.00 0.00 C ATOM 1694 NE ARG A 110 -4.460 3.140 4.547 1.00 0.00 N ATOM 1695 CZ ARG A 110 -5.334 4.029 4.987 1.00 0.00 C ATOM 1696 NH1 ARG A 110 -5.245 5.296 4.691 1.00 0.00 N ATOM 1697 NH2 ARG A 110 -6.327 3.661 5.744 1.00 0.00 N ATOM 0 H ARG A 110 -1.026 1.301 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.162 3.655 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.570 1.501 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.566 3.163 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.019 1.366 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.147 1.758 4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.695 4.200 4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.647 3.742 2.698 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.603 2.174 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.482 5.630 4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.938 5.953 5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.435 2.680 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.997 4.354 6.079 1.00 0.00 H new ATOM 1711 N LEU A 111 0.181 4.786 1.091 1.00 0.00 N ATOM 1712 CA LEU A 111 1.500 5.424 0.972 1.00 0.00 C ATOM 1713 C LEU A 111 2.607 4.655 1.726 1.00 0.00 C ATOM 1714 O LEU A 111 2.337 3.933 2.688 1.00 0.00 O ATOM 1715 CB LEU A 111 1.424 6.907 1.393 1.00 0.00 C ATOM 1716 CG LEU A 111 1.490 7.231 2.901 1.00 0.00 C ATOM 1717 CD1 LEU A 111 1.527 8.750 3.078 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.292 6.695 3.687 1.00 0.00 C ATOM 0 H LEU A 111 -0.530 5.395 1.495 1.00 0.00 H new ATOM 0 HA LEU A 111 1.787 5.388 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.239 7.437 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.494 7.319 1.002 1.00 0.00 H new ATOM 0 HG LEU A 111 2.386 6.747 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.574 8.992 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.406 9.154 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.628 9.189 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.401 6.957 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.626 7.135 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.246 5.611 3.586 1.00 0.00 H new ATOM 1730 N LEU A 112 3.858 4.853 1.309 1.00 0.00 N ATOM 1731 CA LEU A 112 5.058 4.204 1.857 1.00 0.00 C ATOM 1732 C LEU A 112 6.126 5.227 2.279 1.00 0.00 C ATOM 1733 O LEU A 112 6.643 5.156 3.395 1.00 0.00 O ATOM 1734 CB LEU A 112 5.633 3.219 0.817 1.00 0.00 C ATOM 1735 CG LEU A 112 4.730 2.023 0.457 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.394 1.211 -0.656 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.483 1.089 1.642 1.00 0.00 C ATOM 0 H LEU A 112 4.076 5.496 0.548 1.00 0.00 H new ATOM 0 HA LEU A 112 4.766 3.659 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.854 3.772 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.581 2.834 1.194 1.00 0.00 H new ATOM 0 HG LEU A 112 3.770 2.432 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.760 0.363 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.533 1.842 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.363 0.848 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.841 0.266 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.434 0.692 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.998 1.642 2.446 1.00 0.00 H new ATOM 1749 N SER A 113 6.468 6.165 1.389 1.00 0.00 N ATOM 1750 CA SER A 113 7.499 7.197 1.585 1.00 0.00 C ATOM 1751 C SER A 113 7.306 8.373 0.612 1.00 0.00 C ATOM 1752 O SER A 113 6.397 8.355 -0.221 1.00 0.00 O ATOM 1753 CB SER A 113 8.887 6.569 1.394 1.00 0.00 C ATOM 1754 OG SER A 113 9.889 7.410 1.942 1.00 0.00 O ATOM 0 H SER A 113 6.018 6.231 0.476 1.00 0.00 H new ATOM 0 HA SER A 113 7.410 7.590 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.920 5.592 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.078 6.409 0.333 1.00 0.00 H new ATOM 0 HG SER A 113 10.768 6.997 1.815 1.00 0.00 H new ATOM 1760 N LEU A 114 8.161 9.394 0.685 1.00 0.00 N ATOM 1761 CA LEU A 114 8.245 10.502 -0.272 1.00 0.00 C ATOM 1762 C LEU A 114 9.715 10.874 -0.547 1.00 0.00 C ATOM 1763 O LEU A 114 10.615 10.526 0.219 1.00 0.00 O ATOM 1764 CB LEU A 114 7.472 11.755 0.209 1.00 0.00 C ATOM 1765 CG LEU A 114 6.042 11.579 0.767 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.993 11.189 2.251 1.00 0.00 C ATOM 1767 CD2 LEU A 114 5.302 12.916 0.683 1.00 0.00 C ATOM 0 H LEU A 114 8.841 9.476 1.441 1.00 0.00 H new ATOM 0 HA LEU A 114 7.778 10.156 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.071 12.236 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.416 12.450 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 114 5.597 10.783 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.955 11.085 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.513 10.242 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.477 11.963 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.292 12.798 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.834 13.664 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.252 13.239 -0.357 1.00 0.00 H new ATOM 1779 N GLU A 115 9.948 11.644 -1.607 1.00 0.00 N ATOM 1780 CA GLU A 115 11.237 12.249 -1.952 1.00 0.00 C ATOM 1781 C GLU A 115 11.039 13.738 -2.272 1.00 0.00 C ATOM 1782 O GLU A 115 10.256 14.097 -3.153 1.00 0.00 O ATOM 1783 CB GLU A 115 11.876 11.480 -3.123 1.00 0.00 C ATOM 1784 CG GLU A 115 13.288 11.968 -3.482 1.00 0.00 C ATOM 1785 CD GLU A 115 14.292 11.739 -2.334 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.413 12.626 -1.454 1.00 0.00 O ATOM 1787 OE2 GLU A 115 14.961 10.678 -2.306 1.00 0.00 O ATOM 0 H GLU A 115 9.215 11.874 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 115 11.922 12.183 -1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.920 10.421 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.235 11.572 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.635 11.448 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.253 13.030 -3.725 1.00 0.00 H new ATOM 1794 N MET A 116 11.737 14.609 -1.542 1.00 0.00 N ATOM 1795 CA MET A 116 11.651 16.070 -1.633 1.00 0.00 C ATOM 1796 C MET A 116 13.047 16.668 -1.856 1.00 0.00 C ATOM 1797 O MET A 116 13.849 16.774 -0.927 1.00 0.00 O ATOM 1798 CB MET A 116 10.960 16.652 -0.386 1.00 0.00 C ATOM 1799 CG MET A 116 9.487 16.236 -0.296 1.00 0.00 C ATOM 1800 SD MET A 116 8.489 17.074 0.971 1.00 0.00 S ATOM 1801 CE MET A 116 9.171 16.386 2.503 1.00 0.00 C ATOM 0 H MET A 116 12.409 14.303 -0.838 1.00 0.00 H new ATOM 0 HA MET A 116 11.037 16.341 -2.492 1.00 0.00 H new ATOM 0 HB2 MET A 116 11.486 16.318 0.508 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.028 17.740 -0.409 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.023 16.409 -1.267 1.00 0.00 H new ATOM 0 HG3 MET A 116 9.445 15.163 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.649 16.815 3.358 1.00 0.00 H new ATOM 0 HE2 MET A 116 9.042 15.304 2.505 1.00 0.00 H new ATOM 0 HE3 MET A 116 10.232 16.625 2.568 1.00 0.00 H new ATOM 1811 N LEU A 117 13.341 17.016 -3.113 1.00 0.00 N ATOM 1812 CA LEU A 117 14.617 17.575 -3.582 1.00 0.00 C ATOM 1813 C LEU A 117 15.012 18.869 -2.840 1.00 0.00 C ATOM 1814 O LEU A 117 14.507 19.954 -3.136 1.00 0.00 O ATOM 1815 CB LEU A 117 14.549 17.785 -5.113 1.00 0.00 C ATOM 1816 CG LEU A 117 15.071 16.597 -5.940 1.00 0.00 C ATOM 1817 CD1 LEU A 117 14.731 16.817 -7.414 1.00 0.00 C ATOM 1818 CD2 LEU A 117 16.591 16.436 -5.833 1.00 0.00 C ATOM 0 H LEU A 117 12.664 16.911 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 117 15.407 16.860 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 117 13.515 17.982 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.125 18.673 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 117 14.595 15.700 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 117 15.100 15.977 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.650 16.895 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 117 15.200 17.737 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 117 16.910 15.584 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 117 17.079 17.340 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 117 16.867 16.269 -4.792 1.00 0.00 H new