USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 818 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 Single : A 6 THR OG1 : rot 120:sc= 0.684 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -30:sc= 0.795 USER MOD Single : A 25 ASN : amide:sc= -0.0204 X(o=-0.02,f=-0.49) USER MOD Single : A 27 SER OG : rot 93:sc= 0.622 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.04! C(o=-3!,f=-5.1!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 160:sc= -0.533 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 155:sc= -0.946 (180deg=-2.79!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 112:sc= 1.32 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 167:sc= 0.827 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.799 X(o=-0.8,f=-0.86) USER MOD Single : A 78 MET CE :methyl -164:sc= -2.16 (180deg=-3.02) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00739 USER MOD Single : A 91 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.3) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 96 THR OG1 : rot -77:sc= 0.989 USER MOD Single : B 1 LYS NZ :NH3+ -142:sc= -0.337 (180deg=-1.49!) USER MOD Single : B -4 SER OG : rot -1:sc= 0.821 USER MOD Single : B -7 PHE N :NH3+ 149:sc= 0.641 (180deg=0.174) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 8.018 -4.899 -10.532 1.00 0.23 N ATOM 43 CA LEU A 2 9.425 -4.630 -10.806 1.00 43.23 C ATOM 44 C LEU A 2 10.191 -5.927 -11.048 1.00 55.12 C ATOM 45 O LEU A 2 9.780 -6.996 -10.596 1.00 10.23 O ATOM 46 CB LEU A 2 10.055 -3.862 -9.642 1.00 72.53 C ATOM 47 CG LEU A 2 10.600 -4.713 -8.494 1.00 41.15 C ATOM 48 CD1 LEU A 2 12.115 -4.813 -8.577 1.00 43.31 C ATOM 49 CD2 LEU A 2 10.174 -4.134 -7.153 1.00 63.20 C ATOM 0 HA LEU A 2 9.483 -4.021 -11.708 1.00 43.23 H new ATOM 0 HB2 LEU A 2 10.869 -3.252 -10.034 1.00 72.53 H new ATOM 0 HB3 LEU A 2 9.309 -3.178 -9.238 1.00 72.53 H new ATOM 0 HG LEU A 2 10.185 -5.717 -8.582 1.00 41.15 H new ATOM 0 HD11 LEU A 2 12.485 -5.422 -7.752 1.00 43.31 H new ATOM 0 HD12 LEU A 2 12.398 -5.273 -9.524 1.00 43.31 H new ATOM 0 HD13 LEU A 2 12.549 -3.815 -8.515 1.00 43.31 H new ATOM 0 HD21 LEU A 2 10.570 -4.752 -6.347 1.00 63.20 H new ATOM 0 HD22 LEU A 2 10.560 -3.119 -7.056 1.00 63.20 H new ATOM 0 HD23 LEU A 2 9.086 -4.115 -7.094 1.00 63.20 H new ATOM 61 N PHE A 3 11.306 -5.825 -11.763 1.00 22.21 N ATOM 62 CA PHE A 3 12.130 -6.990 -12.064 1.00 22.00 C ATOM 63 C PHE A 3 13.594 -6.722 -11.727 1.00 62.42 C ATOM 64 O PHE A 3 14.058 -5.584 -11.787 1.00 33.04 O ATOM 65 CB PHE A 3 11.996 -7.368 -13.540 1.00 72.45 C ATOM 66 CG PHE A 3 10.628 -7.868 -13.909 1.00 62.11 C ATOM 67 CD1 PHE A 3 9.550 -6.999 -13.965 1.00 24.01 C ATOM 68 CD2 PHE A 3 10.420 -9.207 -14.201 1.00 4.45 C ATOM 69 CE1 PHE A 3 8.291 -7.456 -14.303 1.00 71.51 C ATOM 70 CE2 PHE A 3 9.163 -9.670 -14.540 1.00 1.22 C ATOM 71 CZ PHE A 3 8.097 -8.793 -14.592 1.00 62.21 C ATOM 0 H PHE A 3 11.660 -4.948 -12.145 1.00 22.21 H new ATOM 0 HA PHE A 3 11.780 -7.820 -11.450 1.00 22.00 H new ATOM 0 HB2 PHE A 3 12.234 -6.498 -14.153 1.00 72.45 H new ATOM 0 HB3 PHE A 3 12.731 -8.136 -13.778 1.00 72.45 H new ATOM 0 HD1 PHE A 3 9.696 -5.952 -13.742 1.00 24.01 H new ATOM 0 HD2 PHE A 3 11.250 -9.897 -14.163 1.00 4.45 H new ATOM 0 HE1 PHE A 3 7.459 -6.769 -14.341 1.00 71.51 H new ATOM 0 HE2 PHE A 3 9.014 -10.716 -14.764 1.00 1.22 H new ATOM 0 HZ PHE A 3 7.114 -9.152 -14.858 1.00 62.21 H new ATOM 81 N ALA A 4 14.317 -7.780 -11.373 1.00 35.22 N ATOM 82 CA ALA A 4 15.728 -7.661 -11.028 1.00 14.23 C ATOM 83 C ALA A 4 16.550 -8.760 -11.692 1.00 1.13 C ATOM 84 O ALA A 4 16.085 -9.889 -11.848 1.00 31.04 O ATOM 85 CB ALA A 4 15.907 -7.704 -9.517 1.00 41.14 C ATOM 0 H ALA A 4 13.948 -8.729 -11.318 1.00 35.22 H new ATOM 0 HA ALA A 4 16.088 -6.701 -11.398 1.00 14.23 H new ATOM 0 HB1 ALA A 4 16.966 -7.614 -9.273 1.00 41.14 H new ATOM 0 HB2 ALA A 4 15.359 -6.879 -9.062 1.00 41.14 H new ATOM 0 HB3 ALA A 4 15.525 -8.650 -9.132 1.00 41.14 H new ATOM 91 N VAL A 5 17.775 -8.422 -12.082 1.00 21.20 N ATOM 92 CA VAL A 5 18.663 -9.381 -12.729 1.00 53.22 C ATOM 93 C VAL A 5 19.880 -9.676 -11.860 1.00 42.13 C ATOM 94 O VAL A 5 20.558 -8.762 -11.390 1.00 44.32 O ATOM 95 CB VAL A 5 19.137 -8.868 -14.102 1.00 24.22 C ATOM 96 CG1 VAL A 5 19.911 -7.568 -13.948 1.00 1.31 C ATOM 97 CG2 VAL A 5 19.984 -9.922 -14.800 1.00 75.11 C ATOM 0 H VAL A 5 18.175 -7.492 -11.961 1.00 21.20 H new ATOM 0 HA VAL A 5 18.091 -10.298 -12.870 1.00 53.22 H new ATOM 0 HB VAL A 5 18.261 -8.670 -14.719 1.00 24.22 H new ATOM 0 HG11 VAL A 5 20.238 -7.221 -14.928 1.00 1.31 H new ATOM 0 HG12 VAL A 5 19.269 -6.814 -13.491 1.00 1.31 H new ATOM 0 HG13 VAL A 5 20.781 -7.736 -13.314 1.00 1.31 H new ATOM 0 HG21 VAL A 5 20.311 -9.543 -15.769 1.00 75.11 H new ATOM 0 HG22 VAL A 5 20.856 -10.152 -14.188 1.00 75.11 H new ATOM 0 HG23 VAL A 5 19.393 -10.826 -14.945 1.00 75.11 H new ATOM 107 N THR A 6 20.153 -10.960 -11.650 1.00 44.02 N ATOM 108 CA THR A 6 21.289 -11.377 -10.837 1.00 50.33 C ATOM 109 C THR A 6 22.608 -11.063 -11.534 1.00 23.23 C ATOM 110 O THR A 6 22.785 -11.363 -12.715 1.00 50.13 O ATOM 111 CB THR A 6 21.233 -12.884 -10.524 1.00 15.32 C ATOM 112 OG1 THR A 6 20.381 -13.548 -11.464 1.00 34.03 O ATOM 113 CG2 THR A 6 20.722 -13.124 -9.111 1.00 40.20 C ATOM 0 H THR A 6 19.603 -11.729 -12.032 1.00 44.02 H new ATOM 0 HA THR A 6 21.232 -10.817 -9.903 1.00 50.33 H new ATOM 0 HB THR A 6 22.243 -13.287 -10.602 1.00 15.32 H new ATOM 0 HG1 THR A 6 20.897 -14.222 -11.954 1.00 34.03 H new ATOM 0 HG21 THR A 6 20.691 -14.195 -8.912 1.00 40.20 H new ATOM 0 HG22 THR A 6 21.389 -12.642 -8.396 1.00 40.20 H new ATOM 0 HG23 THR A 6 19.720 -12.707 -9.011 1.00 40.20 H new ATOM 121 N LEU A 7 23.533 -10.459 -10.795 1.00 74.22 N ATOM 122 CA LEU A 7 24.838 -10.105 -11.342 1.00 70.42 C ATOM 123 C LEU A 7 25.898 -11.118 -10.921 1.00 33.43 C ATOM 124 O LEU A 7 26.945 -11.237 -11.557 1.00 22.13 O ATOM 125 CB LEU A 7 25.243 -8.704 -10.881 1.00 64.41 C ATOM 126 CG LEU A 7 24.217 -7.596 -11.120 1.00 23.11 C ATOM 127 CD1 LEU A 7 24.281 -6.561 -10.007 1.00 73.23 C ATOM 128 CD2 LEU A 7 24.446 -6.941 -12.474 1.00 53.41 C ATOM 0 H LEU A 7 23.403 -10.204 -9.816 1.00 74.22 H new ATOM 0 HA LEU A 7 24.764 -10.116 -12.429 1.00 70.42 H new ATOM 0 HB2 LEU A 7 25.463 -8.744 -9.814 1.00 64.41 H new ATOM 0 HB3 LEU A 7 26.169 -8.430 -11.387 1.00 64.41 H new ATOM 0 HG LEU A 7 23.222 -8.041 -11.118 1.00 23.11 H new ATOM 0 HD11 LEU A 7 23.544 -5.780 -10.194 1.00 73.23 H new ATOM 0 HD12 LEU A 7 24.068 -7.040 -9.052 1.00 73.23 H new ATOM 0 HD13 LEU A 7 25.277 -6.120 -9.977 1.00 73.23 H new ATOM 0 HD21 LEU A 7 23.707 -6.155 -12.628 1.00 53.41 H new ATOM 0 HD22 LEU A 7 25.446 -6.510 -12.505 1.00 53.41 H new ATOM 0 HD23 LEU A 7 24.349 -7.689 -13.261 1.00 53.41 H new ATOM 140 N TYR A 8 25.617 -11.848 -9.846 1.00 42.44 N ATOM 141 CA TYR A 8 26.546 -12.851 -9.340 1.00 3.42 C ATOM 142 C TYR A 8 25.843 -14.188 -9.129 1.00 54.21 C ATOM 143 O TYR A 8 24.616 -14.270 -9.176 1.00 52.42 O ATOM 144 CB TYR A 8 27.173 -12.379 -8.026 1.00 53.25 C ATOM 145 CG TYR A 8 27.969 -11.101 -8.160 1.00 41.43 C ATOM 146 CD1 TYR A 8 27.333 -9.872 -8.289 1.00 34.32 C ATOM 147 CD2 TYR A 8 29.358 -11.121 -8.157 1.00 65.23 C ATOM 148 CE1 TYR A 8 28.056 -8.702 -8.412 1.00 64.21 C ATOM 149 CE2 TYR A 8 30.090 -9.956 -8.279 1.00 4.14 C ATOM 150 CZ TYR A 8 29.435 -8.749 -8.406 1.00 71.03 C ATOM 151 OH TYR A 8 30.159 -7.585 -8.527 1.00 65.54 O ATOM 0 H TYR A 8 24.754 -11.763 -9.309 1.00 42.44 H new ATOM 0 HA TYR A 8 27.332 -12.988 -10.082 1.00 3.42 H new ATOM 0 HB2 TYR A 8 26.384 -12.230 -7.289 1.00 53.25 H new ATOM 0 HB3 TYR A 8 27.824 -13.164 -7.641 1.00 53.25 H new ATOM 0 HD1 TYR A 8 26.254 -9.831 -8.293 1.00 34.32 H new ATOM 0 HD2 TYR A 8 29.875 -12.064 -8.058 1.00 65.23 H new ATOM 0 HE1 TYR A 8 27.545 -7.756 -8.512 1.00 64.21 H new ATOM 0 HE2 TYR A 8 31.169 -9.990 -8.275 1.00 4.14 H new ATOM 0 HH TYR A 8 31.117 -7.792 -8.503 1.00 65.54 H new ATOM 161 N GLU A 9 26.630 -15.233 -8.896 1.00 20.20 N ATOM 162 CA GLU A 9 26.083 -16.567 -8.678 1.00 70.20 C ATOM 163 C GLU A 9 25.782 -16.797 -7.200 1.00 25.23 C ATOM 164 O GLU A 9 26.691 -17.007 -6.395 1.00 53.43 O ATOM 165 CB GLU A 9 27.059 -17.632 -9.183 1.00 3.21 C ATOM 166 CG GLU A 9 26.681 -19.046 -8.777 1.00 73.22 C ATOM 167 CD GLU A 9 26.866 -20.045 -9.903 1.00 35.21 C ATOM 168 OE1 GLU A 9 28.009 -20.501 -10.111 1.00 23.03 O ATOM 169 OE2 GLU A 9 25.865 -20.371 -10.576 1.00 63.31 O ATOM 0 H GLU A 9 27.648 -15.182 -8.853 1.00 20.20 H new ATOM 0 HA GLU A 9 25.151 -16.645 -9.237 1.00 70.20 H new ATOM 0 HB2 GLU A 9 27.112 -17.577 -10.270 1.00 3.21 H new ATOM 0 HB3 GLU A 9 28.056 -17.408 -8.803 1.00 3.21 H new ATOM 0 HG2 GLU A 9 27.287 -19.349 -7.924 1.00 73.22 H new ATOM 0 HG3 GLU A 9 25.641 -19.061 -8.450 1.00 73.22 H new ATOM 176 N PHE A 10 24.501 -16.756 -6.849 1.00 63.01 N ATOM 177 CA PHE A 10 24.080 -16.958 -5.468 1.00 32.12 C ATOM 178 C PHE A 10 23.778 -18.430 -5.201 1.00 55.22 C ATOM 179 O PHE A 10 22.740 -18.948 -5.615 1.00 40.31 O ATOM 180 CB PHE A 10 22.845 -16.108 -5.159 1.00 64.34 C ATOM 181 CG PHE A 10 22.522 -16.030 -3.695 1.00 22.03 C ATOM 182 CD1 PHE A 10 23.486 -15.641 -2.779 1.00 25.02 C ATOM 183 CD2 PHE A 10 21.254 -16.345 -3.234 1.00 1.13 C ATOM 184 CE1 PHE A 10 23.192 -15.569 -1.430 1.00 72.04 C ATOM 185 CE2 PHE A 10 20.953 -16.274 -1.886 1.00 64.34 C ATOM 186 CZ PHE A 10 21.923 -15.885 -0.984 1.00 5.22 C ATOM 0 H PHE A 10 23.736 -16.585 -7.502 1.00 63.01 H new ATOM 0 HA PHE A 10 24.897 -16.649 -4.817 1.00 32.12 H new ATOM 0 HB2 PHE A 10 23.003 -15.100 -5.542 1.00 64.34 H new ATOM 0 HB3 PHE A 10 21.988 -16.521 -5.691 1.00 64.34 H new ATOM 0 HD1 PHE A 10 24.479 -15.391 -3.123 1.00 25.02 H new ATOM 0 HD2 PHE A 10 20.492 -16.650 -3.936 1.00 1.13 H new ATOM 0 HE1 PHE A 10 23.953 -15.266 -0.726 1.00 72.04 H new ATOM 0 HE2 PHE A 10 19.961 -16.522 -1.540 1.00 64.34 H new ATOM 0 HZ PHE A 10 21.690 -15.828 0.069 1.00 5.22 H new ATOM 196 N LYS A 11 24.692 -19.099 -4.507 1.00 71.12 N ATOM 197 CA LYS A 11 24.525 -20.511 -4.183 1.00 43.14 C ATOM 198 C LYS A 11 23.696 -20.684 -2.915 1.00 22.11 C ATOM 199 O LYS A 11 24.176 -20.432 -1.810 1.00 34.42 O ATOM 200 CB LYS A 11 25.891 -21.180 -4.008 1.00 54.24 C ATOM 201 CG LYS A 11 26.751 -21.142 -5.259 1.00 43.13 C ATOM 202 CD LYS A 11 26.042 -21.778 -6.443 1.00 45.34 C ATOM 203 CE LYS A 11 27.033 -22.375 -7.431 1.00 42.20 C ATOM 204 NZ LYS A 11 27.529 -23.706 -6.983 1.00 41.43 N ATOM 0 H LYS A 11 25.557 -18.686 -4.158 1.00 71.12 H new ATOM 0 HA LYS A 11 23.997 -20.988 -5.009 1.00 43.14 H new ATOM 0 HB2 LYS A 11 26.425 -20.689 -3.195 1.00 54.24 H new ATOM 0 HB3 LYS A 11 25.742 -22.218 -3.711 1.00 54.24 H new ATOM 0 HG2 LYS A 11 27.003 -20.109 -5.497 1.00 43.13 H new ATOM 0 HG3 LYS A 11 27.689 -21.664 -5.072 1.00 43.13 H new ATOM 0 HD2 LYS A 11 25.366 -22.556 -6.089 1.00 45.34 H new ATOM 0 HD3 LYS A 11 25.430 -21.030 -6.947 1.00 45.34 H new ATOM 0 HE2 LYS A 11 26.558 -22.474 -8.407 1.00 42.20 H new ATOM 0 HE3 LYS A 11 27.877 -21.696 -7.555 1.00 42.20 H new ATOM 0 HZ1 LYS A 11 28.202 -24.079 -7.683 1.00 41.43 H new ATOM 0 HZ2 LYS A 11 28.005 -23.608 -6.063 1.00 41.43 H new ATOM 0 HZ3 LYS A 11 26.727 -24.362 -6.889 1.00 41.43 H new ATOM 218 N ALA A 12 22.451 -21.117 -3.082 1.00 13.42 N ATOM 219 CA ALA A 12 21.557 -21.327 -1.950 1.00 12.32 C ATOM 220 C ALA A 12 22.168 -22.291 -0.939 1.00 4.31 C ATOM 221 O ALA A 12 23.059 -23.071 -1.273 1.00 4.12 O ATOM 222 CB ALA A 12 20.210 -21.847 -2.430 1.00 41.02 C ATOM 0 H ALA A 12 22.038 -21.329 -3.990 1.00 13.42 H new ATOM 0 HA ALA A 12 21.408 -20.368 -1.454 1.00 12.32 H new ATOM 0 HB1 ALA A 12 19.553 -21.999 -1.574 1.00 41.02 H new ATOM 0 HB2 ALA A 12 19.761 -21.122 -3.108 1.00 41.02 H new ATOM 0 HB3 ALA A 12 20.350 -22.793 -2.952 1.00 41.02 H new ATOM 228 N GLU A 13 21.684 -22.230 0.298 1.00 62.23 N ATOM 229 CA GLU A 13 22.186 -23.098 1.357 1.00 13.30 C ATOM 230 C GLU A 13 21.038 -23.815 2.062 1.00 51.01 C ATOM 231 O GLU A 13 21.147 -24.991 2.410 1.00 3.32 O ATOM 232 CB GLU A 13 22.994 -22.286 2.371 1.00 20.15 C ATOM 233 CG GLU A 13 22.330 -20.980 2.773 1.00 4.41 C ATOM 234 CD GLU A 13 23.205 -20.136 3.680 1.00 12.22 C ATOM 235 OE1 GLU A 13 23.895 -20.714 4.546 1.00 52.14 O ATOM 236 OE2 GLU A 13 23.199 -18.897 3.524 1.00 12.30 O ATOM 0 H GLU A 13 20.946 -21.590 0.591 1.00 62.23 H new ATOM 0 HA GLU A 13 22.835 -23.847 0.902 1.00 13.30 H new ATOM 0 HB2 GLU A 13 23.155 -22.891 3.263 1.00 20.15 H new ATOM 0 HB3 GLU A 13 23.976 -22.070 1.951 1.00 20.15 H new ATOM 0 HG2 GLU A 13 22.086 -20.410 1.877 1.00 4.41 H new ATOM 0 HG3 GLU A 13 21.389 -21.196 3.280 1.00 4.41 H new ATOM 243 N ARG A 14 19.938 -23.098 2.269 1.00 61.11 N ATOM 244 CA ARG A 14 18.771 -23.665 2.934 1.00 53.55 C ATOM 245 C ARG A 14 17.634 -23.888 1.940 1.00 44.21 C ATOM 246 O ARG A 14 17.763 -23.580 0.755 1.00 42.11 O ATOM 247 CB ARG A 14 18.302 -22.743 4.062 1.00 65.35 C ATOM 248 CG ARG A 14 19.060 -22.942 5.364 1.00 34.33 C ATOM 249 CD ARG A 14 18.677 -24.251 6.037 1.00 73.32 C ATOM 250 NE ARG A 14 17.322 -24.211 6.581 1.00 21.22 N ATOM 251 CZ ARG A 14 16.732 -25.251 7.160 1.00 12.23 C ATOM 252 NH1 ARG A 14 17.374 -26.406 7.270 1.00 11.41 N ATOM 253 NH2 ARG A 14 15.497 -25.136 7.632 1.00 74.24 N ATOM 0 H ARG A 14 19.831 -22.124 1.986 1.00 61.11 H new ATOM 0 HA ARG A 14 19.057 -24.628 3.356 1.00 53.55 H new ATOM 0 HB2 ARG A 14 18.411 -21.707 3.742 1.00 65.35 H new ATOM 0 HB3 ARG A 14 17.240 -22.911 4.240 1.00 65.35 H new ATOM 0 HG2 ARG A 14 20.132 -22.933 5.167 1.00 34.33 H new ATOM 0 HG3 ARG A 14 18.852 -22.111 6.038 1.00 34.33 H new ATOM 0 HD2 ARG A 14 18.754 -25.065 5.316 1.00 73.32 H new ATOM 0 HD3 ARG A 14 19.383 -24.467 6.839 1.00 73.32 H new ATOM 0 HE ARG A 14 16.800 -23.337 6.513 1.00 21.22 H new ATOM 0 HH11 ARG A 14 18.324 -26.498 6.910 1.00 11.41 H new ATOM 0 HH12 ARG A 14 16.918 -27.203 7.715 1.00 11.41 H new ATOM 0 HH21 ARG A 14 15.000 -24.249 7.550 1.00 74.24 H new ATOM 0 HH22 ARG A 14 15.044 -25.935 8.076 1.00 74.24 H new ATOM 267 N ASP A 15 16.523 -24.425 2.431 1.00 63.40 N ATOM 268 CA ASP A 15 15.364 -24.690 1.587 1.00 51.42 C ATOM 269 C ASP A 15 14.739 -23.387 1.099 1.00 51.55 C ATOM 270 O ASP A 15 14.260 -23.302 -0.032 1.00 54.23 O ATOM 271 CB ASP A 15 14.326 -25.512 2.352 1.00 61.31 C ATOM 272 CG ASP A 15 13.348 -26.213 1.429 1.00 11.43 C ATOM 273 OD1 ASP A 15 12.352 -25.575 1.026 1.00 63.53 O ATOM 274 OD2 ASP A 15 13.578 -27.398 1.110 1.00 4.52 O ATOM 0 H ASP A 15 16.400 -24.685 3.410 1.00 63.40 H new ATOM 0 HA ASP A 15 15.699 -25.259 0.720 1.00 51.42 H new ATOM 0 HB2 ASP A 15 14.836 -26.253 2.967 1.00 61.31 H new ATOM 0 HB3 ASP A 15 13.777 -24.858 3.030 1.00 61.31 H new ATOM 279 N ASP A 16 14.747 -22.374 1.959 1.00 73.14 N ATOM 280 CA ASP A 16 14.181 -21.075 1.615 1.00 15.22 C ATOM 281 C ASP A 16 15.022 -20.380 0.550 1.00 43.34 C ATOM 282 O ASP A 16 14.496 -19.896 -0.452 1.00 60.10 O ATOM 283 CB ASP A 16 14.082 -20.192 2.861 1.00 72.45 C ATOM 284 CG ASP A 16 13.084 -20.725 3.870 1.00 54.03 C ATOM 285 OD1 ASP A 16 11.920 -20.961 3.485 1.00 73.15 O ATOM 286 OD2 ASP A 16 13.466 -20.905 5.045 1.00 2.21 O ATOM 0 H ASP A 16 15.139 -22.428 2.899 1.00 73.14 H new ATOM 0 HA ASP A 16 13.181 -21.237 1.213 1.00 15.22 H new ATOM 0 HB2 ASP A 16 15.063 -20.118 3.329 1.00 72.45 H new ATOM 0 HB3 ASP A 16 13.793 -19.183 2.566 1.00 72.45 H new ATOM 291 N GLU A 17 16.332 -20.333 0.774 1.00 32.41 N ATOM 292 CA GLU A 17 17.245 -19.695 -0.166 1.00 63.45 C ATOM 293 C GLU A 17 17.123 -20.321 -1.553 1.00 51.10 C ATOM 294 O GLU A 17 17.069 -21.544 -1.693 1.00 10.54 O ATOM 295 CB GLU A 17 18.688 -19.810 0.331 1.00 34.43 C ATOM 296 CG GLU A 17 19.588 -18.684 -0.147 1.00 2.12 C ATOM 297 CD GLU A 17 19.507 -17.456 0.739 1.00 12.02 C ATOM 298 OE1 GLU A 17 18.616 -16.613 0.503 1.00 32.14 O ATOM 299 OE2 GLU A 17 20.333 -17.338 1.667 1.00 4.55 O ATOM 0 H GLU A 17 16.784 -20.729 1.598 1.00 32.41 H new ATOM 0 HA GLU A 17 16.975 -18.641 -0.236 1.00 63.45 H new ATOM 0 HB2 GLU A 17 18.688 -19.826 1.421 1.00 34.43 H new ATOM 0 HB3 GLU A 17 19.103 -20.761 -0.001 1.00 34.43 H new ATOM 0 HG2 GLU A 17 20.619 -19.037 -0.179 1.00 2.12 H new ATOM 0 HG3 GLU A 17 19.312 -18.411 -1.166 1.00 2.12 H new ATOM 306 N LEU A 18 17.079 -19.474 -2.576 1.00 31.04 N ATOM 307 CA LEU A 18 16.962 -19.942 -3.952 1.00 62.33 C ATOM 308 C LEU A 18 18.240 -19.656 -4.735 1.00 13.20 C ATOM 309 O LEU A 18 18.744 -18.533 -4.730 1.00 52.42 O ATOM 310 CB LEU A 18 15.769 -19.275 -4.639 1.00 62.32 C ATOM 311 CG LEU A 18 15.102 -20.080 -5.755 1.00 53.54 C ATOM 312 CD1 LEU A 18 14.583 -21.405 -5.221 1.00 33.41 C ATOM 313 CD2 LEU A 18 13.973 -19.279 -6.388 1.00 12.32 C ATOM 0 H LEU A 18 17.123 -18.460 -2.478 1.00 31.04 H new ATOM 0 HA LEU A 18 16.804 -21.020 -3.931 1.00 62.33 H new ATOM 0 HB2 LEU A 18 15.018 -19.050 -3.882 1.00 62.32 H new ATOM 0 HB3 LEU A 18 16.099 -18.322 -5.053 1.00 62.32 H new ATOM 0 HG LEU A 18 15.848 -20.289 -6.522 1.00 53.54 H new ATOM 0 HD11 LEU A 18 14.112 -21.964 -6.030 1.00 33.41 H new ATOM 0 HD12 LEU A 18 15.413 -21.984 -4.815 1.00 33.41 H new ATOM 0 HD13 LEU A 18 13.852 -21.219 -4.434 1.00 33.41 H new ATOM 0 HD21 LEU A 18 13.509 -19.867 -7.180 1.00 12.32 H new ATOM 0 HD22 LEU A 18 13.227 -19.040 -5.630 1.00 12.32 H new ATOM 0 HD23 LEU A 18 14.373 -18.356 -6.808 1.00 12.32 H new ATOM 325 N ASP A 19 18.757 -20.678 -5.408 1.00 13.12 N ATOM 326 CA ASP A 19 19.974 -20.536 -6.198 1.00 53.55 C ATOM 327 C ASP A 19 19.699 -19.763 -7.485 1.00 74.30 C ATOM 328 O ASP A 19 18.649 -19.927 -8.107 1.00 51.41 O ATOM 329 CB ASP A 19 20.557 -21.910 -6.529 1.00 35.51 C ATOM 330 CG ASP A 19 20.510 -22.858 -5.347 1.00 22.34 C ATOM 331 OD1 ASP A 19 19.403 -23.320 -5.000 1.00 62.21 O ATOM 332 OD2 ASP A 19 21.581 -23.137 -4.767 1.00 71.42 O ATOM 0 H ASP A 19 18.352 -21.614 -5.422 1.00 13.12 H new ATOM 0 HA ASP A 19 20.698 -19.976 -5.606 1.00 53.55 H new ATOM 0 HB2 ASP A 19 20.005 -22.345 -7.362 1.00 35.51 H new ATOM 0 HB3 ASP A 19 21.590 -21.794 -6.857 1.00 35.51 H new ATOM 337 N VAL A 20 20.649 -18.921 -7.878 1.00 54.42 N ATOM 338 CA VAL A 20 20.509 -18.123 -9.090 1.00 51.25 C ATOM 339 C VAL A 20 21.871 -17.782 -9.684 1.00 62.22 C ATOM 340 O VAL A 20 22.839 -17.561 -8.957 1.00 0.44 O ATOM 341 CB VAL A 20 19.739 -16.817 -8.817 1.00 41.05 C ATOM 342 CG1 VAL A 20 20.406 -16.027 -7.702 1.00 20.14 C ATOM 343 CG2 VAL A 20 19.639 -15.983 -10.086 1.00 32.12 C ATOM 0 H VAL A 20 21.524 -18.774 -7.375 1.00 54.42 H new ATOM 0 HA VAL A 20 19.946 -18.726 -9.802 1.00 51.25 H new ATOM 0 HB VAL A 20 18.729 -17.071 -8.495 1.00 41.05 H new ATOM 0 HG11 VAL A 20 19.848 -15.108 -7.523 1.00 20.14 H new ATOM 0 HG12 VAL A 20 20.421 -16.625 -6.791 1.00 20.14 H new ATOM 0 HG13 VAL A 20 21.428 -15.781 -7.991 1.00 20.14 H new ATOM 0 HG21 VAL A 20 19.092 -15.064 -9.875 1.00 32.12 H new ATOM 0 HG22 VAL A 20 20.640 -15.737 -10.439 1.00 32.12 H new ATOM 0 HG23 VAL A 20 19.113 -16.550 -10.854 1.00 32.12 H new ATOM 353 N SER A 21 21.939 -17.742 -11.011 1.00 40.20 N ATOM 354 CA SER A 21 23.184 -17.431 -11.704 1.00 20.23 C ATOM 355 C SER A 21 23.151 -16.016 -12.273 1.00 13.03 C ATOM 356 O SER A 21 22.091 -15.415 -12.450 1.00 34.42 O ATOM 357 CB SER A 21 23.432 -18.439 -12.827 1.00 63.24 C ATOM 358 OG SER A 21 24.149 -19.566 -12.353 1.00 13.03 O ATOM 0 H SER A 21 21.147 -17.921 -11.628 1.00 40.20 H new ATOM 0 HA SER A 21 23.998 -17.494 -10.982 1.00 20.23 H new ATOM 0 HB2 SER A 21 22.479 -18.761 -13.248 1.00 63.24 H new ATOM 0 HB3 SER A 21 23.991 -17.961 -13.632 1.00 63.24 H new ATOM 0 HG SER A 21 24.734 -19.295 -11.615 1.00 13.03 H new ATOM 364 N PRO A 22 24.340 -15.469 -12.567 1.00 33.24 N ATOM 365 CA PRO A 22 24.475 -14.119 -13.121 1.00 13.35 C ATOM 366 C PRO A 22 23.968 -14.027 -14.556 1.00 32.42 C ATOM 367 O PRO A 22 24.441 -14.743 -15.438 1.00 14.30 O ATOM 368 CB PRO A 22 25.983 -13.863 -13.069 1.00 20.22 C ATOM 369 CG PRO A 22 26.598 -15.219 -13.106 1.00 64.42 C ATOM 370 CD PRO A 22 25.644 -16.127 -12.381 1.00 72.44 C ATOM 0 HA PRO A 22 23.886 -13.390 -12.565 1.00 13.35 H new ATOM 0 HB2 PRO A 22 26.311 -13.256 -13.913 1.00 20.22 H new ATOM 0 HB3 PRO A 22 26.263 -13.326 -12.163 1.00 20.22 H new ATOM 0 HG2 PRO A 22 26.748 -15.551 -14.133 1.00 64.42 H new ATOM 0 HG3 PRO A 22 27.576 -15.217 -12.625 1.00 64.42 H new ATOM 0 HD2 PRO A 22 25.650 -17.133 -12.800 1.00 72.44 H new ATOM 0 HD3 PRO A 22 25.901 -16.220 -11.326 1.00 72.44 H new ATOM 378 N GLY A 23 23.002 -13.142 -14.783 1.00 5.43 N ATOM 379 CA GLY A 23 22.448 -12.973 -16.113 1.00 70.12 C ATOM 380 C GLY A 23 21.034 -13.508 -16.224 1.00 11.31 C ATOM 381 O GLY A 23 20.457 -13.534 -17.311 1.00 24.14 O ATOM 0 H GLY A 23 22.593 -12.539 -14.069 1.00 5.43 H new ATOM 0 HA2 GLY A 23 22.454 -11.915 -16.374 1.00 70.12 H new ATOM 0 HA3 GLY A 23 23.084 -13.484 -16.836 1.00 70.12 H new ATOM 385 N GLU A 24 20.475 -13.936 -15.096 1.00 72.24 N ATOM 386 CA GLU A 24 19.120 -14.475 -15.073 1.00 60.12 C ATOM 387 C GLU A 24 18.103 -13.379 -14.768 1.00 44.44 C ATOM 388 O GLU A 24 18.454 -12.320 -14.249 1.00 52.10 O ATOM 389 CB GLU A 24 19.009 -15.592 -14.033 1.00 3.20 C ATOM 390 CG GLU A 24 19.516 -16.936 -14.527 1.00 74.43 C ATOM 391 CD GLU A 24 18.893 -18.103 -13.785 1.00 4.13 C ATOM 392 OE1 GLU A 24 17.650 -18.213 -13.787 1.00 74.13 O ATOM 393 OE2 GLU A 24 19.651 -18.906 -13.201 1.00 42.01 O ATOM 0 H GLU A 24 20.939 -13.920 -14.188 1.00 72.24 H new ATOM 0 HA GLU A 24 18.903 -14.884 -16.060 1.00 60.12 H new ATOM 0 HB2 GLU A 24 19.571 -15.306 -13.144 1.00 3.20 H new ATOM 0 HB3 GLU A 24 17.966 -15.695 -13.732 1.00 3.20 H new ATOM 0 HG2 GLU A 24 19.303 -17.032 -15.592 1.00 74.43 H new ATOM 0 HG3 GLU A 24 20.599 -16.975 -14.414 1.00 74.43 H new ATOM 400 N ASN A 25 16.842 -13.641 -15.096 1.00 65.13 N ATOM 401 CA ASN A 25 15.774 -12.677 -14.859 1.00 44.21 C ATOM 402 C ASN A 25 14.877 -13.130 -13.711 1.00 44.02 C ATOM 403 O ASN A 25 14.369 -14.252 -13.711 1.00 62.05 O ATOM 404 CB ASN A 25 14.941 -12.486 -16.128 1.00 13.53 C ATOM 405 CG ASN A 25 15.768 -11.973 -17.291 1.00 75.22 C ATOM 406 OD1 ASN A 25 16.615 -12.688 -17.827 1.00 51.41 O ATOM 407 ND2 ASN A 25 15.524 -10.729 -17.687 1.00 64.10 N ATOM 0 H ASN A 25 16.535 -14.513 -15.527 1.00 65.13 H new ATOM 0 HA ASN A 25 16.231 -11.726 -14.586 1.00 44.21 H new ATOM 0 HB2 ASN A 25 14.481 -13.435 -16.404 1.00 13.53 H new ATOM 0 HB3 ASN A 25 14.131 -11.786 -15.925 1.00 13.53 H new ATOM 0 HD21 ASN A 25 16.048 -10.329 -18.465 1.00 64.10 H new ATOM 0 HD22 ASN A 25 14.812 -10.173 -17.213 1.00 64.10 H new ATOM 414 N LEU A 26 14.687 -12.250 -12.734 1.00 74.42 N ATOM 415 CA LEU A 26 13.850 -12.559 -11.580 1.00 1.24 C ATOM 416 C LEU A 26 12.831 -11.451 -11.334 1.00 3.44 C ATOM 417 O LEU A 26 13.108 -10.275 -11.574 1.00 34.35 O ATOM 418 CB LEU A 26 14.717 -12.756 -10.335 1.00 1.52 C ATOM 419 CG LEU A 26 15.798 -13.833 -10.433 1.00 13.00 C ATOM 420 CD1 LEU A 26 17.094 -13.348 -9.804 1.00 2.55 C ATOM 421 CD2 LEU A 26 15.330 -15.120 -9.769 1.00 55.23 C ATOM 0 H LEU A 26 15.101 -11.318 -12.718 1.00 74.42 H new ATOM 0 HA LEU A 26 13.311 -13.483 -11.790 1.00 1.24 H new ATOM 0 HB2 LEU A 26 15.198 -11.807 -10.098 1.00 1.52 H new ATOM 0 HB3 LEU A 26 14.064 -13.000 -9.497 1.00 1.52 H new ATOM 0 HG LEU A 26 15.985 -14.038 -11.487 1.00 13.00 H new ATOM 0 HD11 LEU A 26 17.851 -14.128 -9.883 1.00 2.55 H new ATOM 0 HD12 LEU A 26 17.438 -12.454 -10.324 1.00 2.55 H new ATOM 0 HD13 LEU A 26 16.923 -13.114 -8.753 1.00 2.55 H new ATOM 0 HD21 LEU A 26 16.112 -15.875 -9.848 1.00 55.23 H new ATOM 0 HD22 LEU A 26 15.115 -14.930 -8.718 1.00 55.23 H new ATOM 0 HD23 LEU A 26 14.428 -15.478 -10.265 1.00 55.23 H new ATOM 433 N SER A 27 11.653 -11.833 -10.852 1.00 21.23 N ATOM 434 CA SER A 27 10.592 -10.872 -10.574 1.00 60.14 C ATOM 435 C SER A 27 10.455 -10.632 -9.074 1.00 3.20 C ATOM 436 O SER A 27 10.055 -11.524 -8.326 1.00 14.14 O ATOM 437 CB SER A 27 9.263 -11.369 -11.146 1.00 52.21 C ATOM 438 OG SER A 27 8.377 -10.290 -11.390 1.00 3.42 O ATOM 0 H SER A 27 11.409 -12.802 -10.646 1.00 21.23 H new ATOM 0 HA SER A 27 10.856 -9.929 -11.052 1.00 60.14 H new ATOM 0 HB2 SER A 27 9.443 -11.912 -12.074 1.00 52.21 H new ATOM 0 HB3 SER A 27 8.804 -12.071 -10.450 1.00 52.21 H new ATOM 0 HG SER A 27 8.480 -9.985 -12.316 1.00 3.42 H new ATOM 444 N ILE A 28 10.791 -9.421 -8.642 1.00 41.11 N ATOM 445 CA ILE A 28 10.705 -9.062 -7.232 1.00 20.30 C ATOM 446 C ILE A 28 9.281 -8.674 -6.849 1.00 72.43 C ATOM 447 O ILE A 28 8.551 -8.085 -7.648 1.00 23.22 O ATOM 448 CB ILE A 28 11.652 -7.897 -6.889 1.00 22.45 C ATOM 449 CG1 ILE A 28 13.103 -8.289 -7.178 1.00 52.53 C ATOM 450 CG2 ILE A 28 11.488 -7.493 -5.431 1.00 71.31 C ATOM 451 CD1 ILE A 28 14.101 -7.204 -6.837 1.00 73.10 C ATOM 0 H ILE A 28 11.125 -8.672 -9.248 1.00 41.11 H new ATOM 0 HA ILE A 28 11.004 -9.943 -6.664 1.00 20.30 H new ATOM 0 HB ILE A 28 11.394 -7.042 -7.514 1.00 22.45 H new ATOM 0 HG12 ILE A 28 13.348 -9.188 -6.612 1.00 52.53 H new ATOM 0 HG13 ILE A 28 13.199 -8.541 -8.234 1.00 52.53 H new ATOM 0 HG21 ILE A 28 12.164 -6.669 -5.204 1.00 71.31 H new ATOM 0 HG22 ILE A 28 10.459 -7.178 -5.254 1.00 71.31 H new ATOM 0 HG23 ILE A 28 11.723 -8.342 -4.789 1.00 71.31 H new ATOM 0 HD11 ILE A 28 15.108 -7.551 -7.067 1.00 73.10 H new ATOM 0 HD12 ILE A 28 13.882 -6.311 -7.422 1.00 73.10 H new ATOM 0 HD13 ILE A 28 14.033 -6.967 -5.775 1.00 73.10 H new ATOM 463 N CYS A 29 8.892 -9.007 -5.623 1.00 43.14 N ATOM 464 CA CYS A 29 7.555 -8.692 -5.134 1.00 32.45 C ATOM 465 C CYS A 29 7.622 -7.741 -3.943 1.00 34.50 C ATOM 466 O CYS A 29 6.743 -6.900 -3.758 1.00 34.43 O ATOM 467 CB CYS A 29 6.820 -9.974 -4.738 1.00 13.23 C ATOM 468 SG CYS A 29 6.604 -11.150 -6.094 1.00 25.32 S ATOM 0 H CYS A 29 9.483 -9.495 -4.950 1.00 43.14 H new ATOM 0 HA CYS A 29 7.007 -8.201 -5.938 1.00 32.45 H new ATOM 0 HB2 CYS A 29 7.370 -10.461 -3.933 1.00 13.23 H new ATOM 0 HB3 CYS A 29 5.840 -9.710 -4.341 1.00 13.23 H new ATOM 0 HG CYS A 29 5.975 -12.202 -5.660 1.00 25.32 H new ATOM 474 N ALA A 30 8.669 -7.882 -3.138 1.00 25.42 N ATOM 475 CA ALA A 30 8.851 -7.036 -1.965 1.00 41.12 C ATOM 476 C ALA A 30 10.299 -7.063 -1.488 1.00 1.23 C ATOM 477 O ALA A 30 11.118 -7.827 -1.999 1.00 41.14 O ATOM 478 CB ALA A 30 7.917 -7.475 -0.848 1.00 15.34 C ATOM 0 H ALA A 30 9.405 -8.575 -3.277 1.00 25.42 H new ATOM 0 HA ALA A 30 8.608 -6.011 -2.245 1.00 41.12 H new ATOM 0 HB1 ALA A 30 8.064 -6.835 0.022 1.00 15.34 H new ATOM 0 HB2 ALA A 30 6.884 -7.397 -1.186 1.00 15.34 H new ATOM 0 HB3 ALA A 30 8.133 -8.509 -0.578 1.00 15.34 H new ATOM 484 N HIS A 31 10.609 -6.224 -0.504 1.00 51.54 N ATOM 485 CA HIS A 31 11.959 -6.151 0.042 1.00 23.41 C ATOM 486 C HIS A 31 11.952 -6.416 1.545 1.00 41.13 C ATOM 487 O HIS A 31 10.896 -6.615 2.145 1.00 73.21 O ATOM 488 CB HIS A 31 12.575 -4.781 -0.243 1.00 62.44 C ATOM 489 CG HIS A 31 12.075 -3.699 0.663 1.00 23.24 C ATOM 490 ND1 HIS A 31 12.913 -2.884 1.395 1.00 52.54 N ATOM 491 CD2 HIS A 31 10.815 -3.299 0.954 1.00 22.50 C ATOM 492 CE1 HIS A 31 12.189 -2.030 2.097 1.00 5.00 C ATOM 493 NE2 HIS A 31 10.913 -2.261 1.847 1.00 22.02 N ATOM 0 H HIS A 31 9.943 -5.585 -0.069 1.00 51.54 H new ATOM 0 HA HIS A 31 12.562 -6.919 -0.442 1.00 23.41 H new ATOM 0 HB2 HIS A 31 13.658 -4.852 -0.147 1.00 62.44 H new ATOM 0 HB3 HIS A 31 12.364 -4.505 -1.276 1.00 62.44 H new ATOM 0 HD2 HIS A 31 9.902 -3.719 0.557 1.00 22.50 H new ATOM 0 HE1 HIS A 31 12.575 -1.272 2.762 1.00 5.00 H new ATOM 0 HE2 HIS A 31 10.128 -1.751 2.252 1.00 22.02 H new ATOM 501 N TYR A 32 13.137 -6.417 2.146 1.00 74.12 N ATOM 502 CA TYR A 32 13.267 -6.660 3.577 1.00 31.45 C ATOM 503 C TYR A 32 14.352 -5.775 4.184 1.00 73.50 C ATOM 504 O TYR A 32 15.542 -6.074 4.082 1.00 74.43 O ATOM 505 CB TYR A 32 13.589 -8.133 3.839 1.00 42.34 C ATOM 506 CG TYR A 32 13.553 -8.510 5.302 1.00 24.13 C ATOM 507 CD1 TYR A 32 14.681 -8.376 6.103 1.00 42.05 C ATOM 508 CD2 TYR A 32 12.391 -9.000 5.885 1.00 0.12 C ATOM 509 CE1 TYR A 32 14.653 -8.720 7.440 1.00 60.30 C ATOM 510 CE2 TYR A 32 12.353 -9.345 7.222 1.00 23.33 C ATOM 511 CZ TYR A 32 13.487 -9.204 7.995 1.00 31.23 C ATOM 512 OH TYR A 32 13.454 -9.547 9.328 1.00 44.04 O ATOM 0 H TYR A 32 14.021 -6.252 1.664 1.00 74.12 H new ATOM 0 HA TYR A 32 12.316 -6.413 4.049 1.00 31.45 H new ATOM 0 HB2 TYR A 32 12.877 -8.754 3.295 1.00 42.34 H new ATOM 0 HB3 TYR A 32 14.578 -8.357 3.439 1.00 42.34 H new ATOM 0 HD1 TYR A 32 15.596 -7.996 5.672 1.00 42.05 H new ATOM 0 HD2 TYR A 32 11.502 -9.113 5.282 1.00 0.12 H new ATOM 0 HE1 TYR A 32 15.539 -8.611 8.048 1.00 60.30 H new ATOM 0 HE2 TYR A 32 11.441 -9.723 7.660 1.00 23.33 H new ATOM 0 HH TYR A 32 12.558 -9.869 9.561 1.00 44.04 H new ATOM 522 N ASP A 33 13.931 -4.685 4.816 1.00 25.30 N ATOM 523 CA ASP A 33 14.865 -3.756 5.441 1.00 25.25 C ATOM 524 C ASP A 33 15.912 -3.280 4.439 1.00 72.13 C ATOM 525 O ASP A 33 17.001 -2.849 4.820 1.00 74.45 O ATOM 526 CB ASP A 33 15.551 -4.417 6.638 1.00 64.40 C ATOM 527 CG ASP A 33 16.397 -3.442 7.432 1.00 4.22 C ATOM 528 OD1 ASP A 33 15.954 -2.290 7.623 1.00 14.03 O ATOM 529 OD2 ASP A 33 17.503 -3.830 7.863 1.00 30.23 O ATOM 0 H ASP A 33 12.950 -4.423 4.909 1.00 25.30 H new ATOM 0 HA ASP A 33 14.300 -2.891 5.787 1.00 25.25 H new ATOM 0 HB2 ASP A 33 14.795 -4.853 7.291 1.00 64.40 H new ATOM 0 HB3 ASP A 33 16.179 -5.236 6.287 1.00 64.40 H new ATOM 534 N TYR A 34 15.575 -3.362 3.156 1.00 11.34 N ATOM 535 CA TYR A 34 16.486 -2.943 2.098 1.00 5.45 C ATOM 536 C TYR A 34 17.741 -3.811 2.084 1.00 12.14 C ATOM 537 O TYR A 34 18.746 -3.458 1.469 1.00 51.42 O ATOM 538 CB TYR A 34 16.872 -1.474 2.281 1.00 53.53 C ATOM 539 CG TYR A 34 15.685 -0.555 2.469 1.00 63.22 C ATOM 540 CD1 TYR A 34 15.154 -0.323 3.731 1.00 22.55 C ATOM 541 CD2 TYR A 34 15.096 0.081 1.383 1.00 0.53 C ATOM 542 CE1 TYR A 34 14.070 0.514 3.908 1.00 51.14 C ATOM 543 CE2 TYR A 34 14.012 0.922 1.550 1.00 23.12 C ATOM 544 CZ TYR A 34 13.503 1.135 2.814 1.00 34.41 C ATOM 545 OH TYR A 34 12.423 1.971 2.986 1.00 63.24 O ATOM 0 H TYR A 34 14.677 -3.715 2.824 1.00 11.34 H new ATOM 0 HA TYR A 34 15.973 -3.062 1.144 1.00 5.45 H new ATOM 0 HB2 TYR A 34 17.530 -1.385 3.145 1.00 53.53 H new ATOM 0 HB3 TYR A 34 17.441 -1.145 1.411 1.00 53.53 H new ATOM 0 HD1 TYR A 34 15.597 -0.806 4.590 1.00 22.55 H new ATOM 0 HD2 TYR A 34 15.492 -0.085 0.392 1.00 0.53 H new ATOM 0 HE1 TYR A 34 13.669 0.682 4.897 1.00 51.14 H new ATOM 0 HE2 TYR A 34 13.566 1.410 0.696 1.00 23.12 H new ATOM 0 HH TYR A 34 12.144 2.328 2.117 1.00 63.24 H new ATOM 555 N GLU A 35 17.672 -4.949 2.768 1.00 62.35 N ATOM 556 CA GLU A 35 18.802 -5.869 2.834 1.00 1.30 C ATOM 557 C GLU A 35 18.581 -7.069 1.918 1.00 65.00 C ATOM 558 O GLU A 35 19.504 -7.526 1.243 1.00 40.42 O ATOM 559 CB GLU A 35 19.018 -6.344 4.272 1.00 14.25 C ATOM 560 CG GLU A 35 18.846 -5.246 5.308 1.00 0.44 C ATOM 561 CD GLU A 35 19.756 -4.059 5.057 1.00 52.14 C ATOM 562 OE1 GLU A 35 20.732 -4.212 4.293 1.00 22.20 O ATOM 563 OE2 GLU A 35 19.492 -2.978 5.623 1.00 51.44 O ATOM 0 H GLU A 35 16.847 -5.256 3.283 1.00 62.35 H new ATOM 0 HA GLU A 35 19.691 -5.336 2.498 1.00 1.30 H new ATOM 0 HB2 GLU A 35 18.316 -7.150 4.489 1.00 14.25 H new ATOM 0 HB3 GLU A 35 20.021 -6.762 4.361 1.00 14.25 H new ATOM 0 HG2 GLU A 35 17.809 -4.910 5.307 1.00 0.44 H new ATOM 0 HG3 GLU A 35 19.049 -5.652 6.299 1.00 0.44 H new ATOM 570 N TRP A 36 17.354 -7.575 1.901 1.00 14.32 N ATOM 571 CA TRP A 36 17.011 -8.723 1.069 1.00 43.51 C ATOM 572 C TRP A 36 15.875 -8.381 0.112 1.00 74.22 C ATOM 573 O TRP A 36 15.179 -7.381 0.290 1.00 32.24 O ATOM 574 CB TRP A 36 16.617 -9.914 1.944 1.00 45.32 C ATOM 575 CG TRP A 36 17.731 -10.401 2.821 1.00 43.44 C ATOM 576 CD1 TRP A 36 18.018 -9.983 4.089 1.00 45.13 C ATOM 577 CD2 TRP A 36 18.707 -11.396 2.493 1.00 2.31 C ATOM 578 NE1 TRP A 36 19.114 -10.658 4.569 1.00 23.43 N ATOM 579 CE2 TRP A 36 19.555 -11.531 3.610 1.00 33.41 C ATOM 580 CE3 TRP A 36 18.946 -12.187 1.366 1.00 3.33 C ATOM 581 CZ2 TRP A 36 20.622 -12.425 3.630 1.00 45.34 C ATOM 582 CZ3 TRP A 36 20.007 -13.073 1.387 1.00 13.42 C ATOM 583 CH2 TRP A 36 20.834 -13.186 2.513 1.00 74.54 C ATOM 0 H TRP A 36 16.579 -7.209 2.454 1.00 14.32 H new ATOM 0 HA TRP A 36 17.889 -8.989 0.480 1.00 43.51 H new ATOM 0 HB2 TRP A 36 15.769 -9.632 2.568 1.00 45.32 H new ATOM 0 HB3 TRP A 36 16.284 -10.731 1.304 1.00 45.32 H new ATOM 0 HD1 TRP A 36 17.465 -9.232 4.634 1.00 45.13 H new ATOM 0 HE1 TRP A 36 19.532 -10.530 5.491 1.00 23.43 H new ATOM 0 HE3 TRP A 36 18.313 -12.108 0.494 1.00 3.33 H new ATOM 0 HZ2 TRP A 36 21.260 -12.515 4.497 1.00 45.34 H new ATOM 0 HZ3 TRP A 36 20.202 -13.688 0.521 1.00 13.42 H new ATOM 0 HH2 TRP A 36 21.655 -13.888 2.499 1.00 74.54 H new ATOM 594 N PHE A 37 15.691 -9.218 -0.904 1.00 52.33 N ATOM 595 CA PHE A 37 14.638 -9.003 -1.890 1.00 61.43 C ATOM 596 C PHE A 37 13.886 -10.301 -2.174 1.00 43.40 C ATOM 597 O PHE A 37 14.495 -11.339 -2.433 1.00 62.04 O ATOM 598 CB PHE A 37 15.230 -8.450 -3.188 1.00 4.31 C ATOM 599 CG PHE A 37 15.072 -6.963 -3.333 1.00 22.14 C ATOM 600 CD1 PHE A 37 13.819 -6.376 -3.262 1.00 31.44 C ATOM 601 CD2 PHE A 37 16.177 -6.152 -3.539 1.00 74.31 C ATOM 602 CE1 PHE A 37 13.671 -5.009 -3.395 1.00 54.24 C ATOM 603 CE2 PHE A 37 16.034 -4.784 -3.673 1.00 44.01 C ATOM 604 CZ PHE A 37 14.780 -4.212 -3.600 1.00 53.51 C ATOM 0 H PHE A 37 16.257 -10.051 -1.066 1.00 52.33 H new ATOM 0 HA PHE A 37 13.935 -8.277 -1.481 1.00 61.43 H new ATOM 0 HB2 PHE A 37 16.290 -8.701 -3.230 1.00 4.31 H new ATOM 0 HB3 PHE A 37 14.752 -8.942 -4.035 1.00 4.31 H new ATOM 0 HD1 PHE A 37 12.948 -6.994 -3.101 1.00 31.44 H new ATOM 0 HD2 PHE A 37 17.161 -6.594 -3.595 1.00 74.31 H new ATOM 0 HE1 PHE A 37 12.689 -4.564 -3.339 1.00 54.24 H new ATOM 0 HE2 PHE A 37 16.903 -4.163 -3.835 1.00 44.01 H new ATOM 0 HZ PHE A 37 14.666 -3.143 -3.703 1.00 53.51 H new ATOM 614 N ILE A 38 12.560 -10.232 -2.122 1.00 64.41 N ATOM 615 CA ILE A 38 11.725 -11.400 -2.374 1.00 25.42 C ATOM 616 C ILE A 38 11.324 -11.483 -3.843 1.00 1.14 C ATOM 617 O ILE A 38 10.337 -10.880 -4.262 1.00 14.24 O ATOM 618 CB ILE A 38 10.453 -11.381 -1.506 1.00 3.40 C ATOM 619 CG1 ILE A 38 10.778 -10.877 -0.098 1.00 52.52 C ATOM 620 CG2 ILE A 38 9.830 -12.767 -1.447 1.00 65.45 C ATOM 621 CD1 ILE A 38 11.857 -11.677 0.596 1.00 31.14 C ATOM 0 H ILE A 38 12.041 -9.380 -1.908 1.00 64.41 H new ATOM 0 HA ILE A 38 12.320 -12.275 -2.113 1.00 25.42 H new ATOM 0 HB ILE A 38 9.733 -10.700 -1.959 1.00 3.40 H new ATOM 0 HG12 ILE A 38 11.091 -9.835 -0.157 1.00 52.52 H new ATOM 0 HG13 ILE A 38 9.872 -10.904 0.507 1.00 52.52 H new ATOM 0 HG21 ILE A 38 8.932 -12.736 -0.830 1.00 65.45 H new ATOM 0 HG22 ILE A 38 9.567 -13.091 -2.454 1.00 65.45 H new ATOM 0 HG23 ILE A 38 10.544 -13.469 -1.015 1.00 65.45 H new ATOM 0 HD11 ILE A 38 12.035 -11.263 1.589 1.00 31.14 H new ATOM 0 HD12 ILE A 38 11.538 -12.715 0.687 1.00 31.14 H new ATOM 0 HD13 ILE A 38 12.777 -11.630 0.013 1.00 31.14 H new ATOM 633 N ALA A 39 12.096 -12.235 -4.620 1.00 20.41 N ATOM 634 CA ALA A 39 11.819 -12.400 -6.041 1.00 71.54 C ATOM 635 C ALA A 39 11.692 -13.875 -6.408 1.00 62.13 C ATOM 636 O ALA A 39 12.091 -14.753 -5.643 1.00 2.13 O ATOM 637 CB ALA A 39 12.909 -11.740 -6.872 1.00 3.21 C ATOM 0 H ALA A 39 12.918 -12.740 -4.289 1.00 20.41 H new ATOM 0 HA ALA A 39 10.868 -11.915 -6.259 1.00 71.54 H new ATOM 0 HB1 ALA A 39 12.689 -11.871 -7.931 1.00 3.21 H new ATOM 0 HB2 ALA A 39 12.950 -10.676 -6.639 1.00 3.21 H new ATOM 0 HB3 ALA A 39 13.870 -12.199 -6.642 1.00 3.21 H new ATOM 643 N LYS A 40 11.133 -14.142 -7.584 1.00 45.51 N ATOM 644 CA LYS A 40 10.954 -15.510 -8.054 1.00 20.11 C ATOM 645 C LYS A 40 11.543 -15.688 -9.450 1.00 12.22 C ATOM 646 O LYS A 40 11.703 -14.731 -10.208 1.00 64.32 O ATOM 647 CB LYS A 40 9.468 -15.877 -8.065 1.00 42.41 C ATOM 648 CG LYS A 40 8.575 -14.777 -8.612 1.00 14.11 C ATOM 649 CD LYS A 40 7.281 -15.339 -9.176 1.00 54.13 C ATOM 650 CE LYS A 40 6.652 -14.388 -10.183 1.00 40.40 C ATOM 651 NZ LYS A 40 6.158 -13.141 -9.535 1.00 30.32 N ATOM 0 H LYS A 40 10.796 -13.428 -8.229 1.00 45.51 H new ATOM 0 HA LYS A 40 11.481 -16.174 -7.369 1.00 20.11 H new ATOM 0 HB2 LYS A 40 9.329 -16.778 -8.663 1.00 42.41 H new ATOM 0 HB3 LYS A 40 9.154 -16.117 -7.049 1.00 42.41 H new ATOM 0 HG2 LYS A 40 8.348 -14.063 -7.820 1.00 14.11 H new ATOM 0 HG3 LYS A 40 9.106 -14.230 -9.391 1.00 14.11 H new ATOM 0 HD2 LYS A 40 7.478 -16.299 -9.654 1.00 54.13 H new ATOM 0 HD3 LYS A 40 6.579 -15.526 -8.363 1.00 54.13 H new ATOM 0 HE2 LYS A 40 7.385 -14.134 -10.949 1.00 40.40 H new ATOM 0 HE3 LYS A 40 5.825 -14.888 -10.687 1.00 40.40 H new ATOM 0 HZ1 LYS A 40 5.737 -12.519 -10.254 1.00 30.32 H new ATOM 0 HZ2 LYS A 40 5.440 -13.381 -8.822 1.00 30.32 H new ATOM 0 HZ3 LYS A 40 6.952 -12.650 -9.076 1.00 30.32 H new ATOM 665 N PRO A 41 11.871 -16.940 -9.799 1.00 63.34 N ATOM 666 CA PRO A 41 12.445 -17.273 -11.107 1.00 3.52 C ATOM 667 C PRO A 41 11.436 -17.116 -12.239 1.00 63.54 C ATOM 668 O PRO A 41 10.274 -17.499 -12.104 1.00 72.24 O ATOM 669 CB PRO A 41 12.853 -18.740 -10.952 1.00 44.25 C ATOM 670 CG PRO A 41 11.956 -19.273 -9.889 1.00 41.34 C ATOM 671 CD PRO A 41 11.707 -18.129 -8.946 1.00 2.24 C ATOM 0 HA PRO A 41 13.271 -16.613 -11.370 1.00 3.52 H new ATOM 0 HB2 PRO A 41 12.727 -19.287 -11.887 1.00 44.25 H new ATOM 0 HB3 PRO A 41 13.901 -18.831 -10.668 1.00 44.25 H new ATOM 0 HG2 PRO A 41 11.021 -19.639 -10.314 1.00 41.34 H new ATOM 0 HG3 PRO A 41 12.420 -20.112 -9.371 1.00 41.34 H new ATOM 0 HD2 PRO A 41 10.709 -18.177 -8.511 1.00 2.24 H new ATOM 0 HD3 PRO A 41 12.416 -18.130 -8.118 1.00 2.24 H new ATOM 679 N ILE A 42 11.888 -16.553 -13.355 1.00 23.14 N ATOM 680 CA ILE A 42 11.025 -16.349 -14.511 1.00 14.52 C ATOM 681 C ILE A 42 11.352 -17.339 -15.623 1.00 54.23 C ATOM 682 O ILE A 42 10.455 -17.908 -16.245 1.00 2.14 O ATOM 683 CB ILE A 42 11.150 -14.916 -15.061 1.00 44.41 C ATOM 684 CG1 ILE A 42 10.817 -13.896 -13.970 1.00 50.11 C ATOM 685 CG2 ILE A 42 10.239 -14.729 -16.265 1.00 2.51 C ATOM 686 CD1 ILE A 42 10.935 -12.459 -14.429 1.00 73.43 C ATOM 0 H ILE A 42 12.847 -16.230 -13.482 1.00 23.14 H new ATOM 0 HA ILE A 42 10.002 -16.512 -14.173 1.00 14.52 H new ATOM 0 HB ILE A 42 12.179 -14.754 -15.381 1.00 44.41 H new ATOM 0 HG12 ILE A 42 9.802 -14.073 -13.616 1.00 50.11 H new ATOM 0 HG13 ILE A 42 11.483 -14.054 -13.121 1.00 50.11 H new ATOM 0 HG21 ILE A 42 10.339 -13.711 -16.642 1.00 2.51 H new ATOM 0 HG22 ILE A 42 10.520 -15.435 -17.047 1.00 2.51 H new ATOM 0 HG23 ILE A 42 9.205 -14.907 -15.970 1.00 2.51 H new ATOM 0 HD11 ILE A 42 10.684 -11.792 -13.604 1.00 73.43 H new ATOM 0 HD12 ILE A 42 11.956 -12.264 -14.756 1.00 73.43 H new ATOM 0 HD13 ILE A 42 10.249 -12.284 -15.258 1.00 73.43 H new ATOM 769 N PRO A 47 8.677 -18.734 -5.297 1.00 4.33 N ATOM 770 CA PRO A 47 9.206 -17.544 -4.623 1.00 12.11 C ATOM 771 C PRO A 47 10.139 -17.897 -3.470 1.00 63.01 C ATOM 772 O PRO A 47 9.725 -18.512 -2.489 1.00 34.42 O ATOM 773 CB PRO A 47 7.949 -16.846 -4.098 1.00 54.23 C ATOM 774 CG PRO A 47 6.944 -17.936 -3.950 1.00 11.20 C ATOM 775 CD PRO A 47 7.239 -18.923 -5.046 1.00 12.53 C ATOM 0 HA PRO A 47 9.804 -16.928 -5.294 1.00 12.11 H new ATOM 0 HB2 PRO A 47 8.139 -16.351 -3.146 1.00 54.23 H new ATOM 0 HB3 PRO A 47 7.603 -16.080 -4.792 1.00 54.23 H new ATOM 0 HG2 PRO A 47 7.020 -18.407 -2.970 1.00 11.20 H new ATOM 0 HG3 PRO A 47 5.930 -17.546 -4.038 1.00 11.20 H new ATOM 0 HD2 PRO A 47 7.016 -19.944 -4.738 1.00 12.53 H new ATOM 0 HD3 PRO A 47 6.646 -18.722 -5.938 1.00 12.53 H new ATOM 783 N GLY A 48 11.403 -17.503 -3.596 1.00 10.35 N ATOM 784 CA GLY A 48 12.375 -17.787 -2.556 1.00 43.43 C ATOM 785 C GLY A 48 12.911 -16.528 -1.904 1.00 45.44 C ATOM 786 O GLY A 48 12.144 -15.652 -1.502 1.00 73.24 O ATOM 0 H GLY A 48 11.771 -16.993 -4.399 1.00 10.35 H new ATOM 0 HA2 GLY A 48 11.915 -18.419 -1.796 1.00 43.43 H new ATOM 0 HA3 GLY A 48 13.204 -18.353 -2.982 1.00 43.43 H new ATOM 790 N LEU A 49 14.232 -16.435 -1.797 1.00 63.42 N ATOM 791 CA LEU A 49 14.871 -15.274 -1.187 1.00 62.25 C ATOM 792 C LEU A 49 16.181 -14.940 -1.893 1.00 65.34 C ATOM 793 O LEU A 49 17.050 -15.798 -2.051 1.00 62.30 O ATOM 794 CB LEU A 49 15.130 -15.531 0.298 1.00 22.40 C ATOM 795 CG LEU A 49 14.776 -14.387 1.249 1.00 63.41 C ATOM 796 CD1 LEU A 49 15.220 -13.054 0.668 1.00 3.12 C ATOM 797 CD2 LEU A 49 13.282 -14.375 1.536 1.00 71.32 C ATOM 0 H LEU A 49 14.882 -17.150 -2.125 1.00 63.42 H new ATOM 0 HA LEU A 49 14.197 -14.424 -1.290 1.00 62.25 H new ATOM 0 HB2 LEU A 49 14.565 -16.414 0.597 1.00 22.40 H new ATOM 0 HB3 LEU A 49 16.186 -15.770 0.426 1.00 22.40 H new ATOM 0 HG LEU A 49 15.305 -14.544 2.189 1.00 63.41 H new ATOM 0 HD11 LEU A 49 14.960 -12.252 1.358 1.00 3.12 H new ATOM 0 HD12 LEU A 49 16.299 -13.065 0.515 1.00 3.12 H new ATOM 0 HD13 LEU A 49 14.720 -12.888 -0.286 1.00 3.12 H new ATOM 0 HD21 LEU A 49 13.048 -13.554 2.214 1.00 71.32 H new ATOM 0 HD22 LEU A 49 12.733 -14.242 0.604 1.00 71.32 H new ATOM 0 HD23 LEU A 49 12.992 -15.320 1.996 1.00 71.32 H new ATOM 809 N VAL A 50 16.318 -13.687 -2.315 1.00 71.11 N ATOM 810 CA VAL A 50 17.524 -13.238 -3.001 1.00 74.32 C ATOM 811 C VAL A 50 17.994 -11.892 -2.462 1.00 23.44 C ATOM 812 O VAL A 50 17.226 -10.937 -2.350 1.00 72.02 O ATOM 813 CB VAL A 50 17.294 -13.118 -4.519 1.00 74.35 C ATOM 814 CG1 VAL A 50 16.110 -12.208 -4.810 1.00 44.41 C ATOM 815 CG2 VAL A 50 18.550 -12.610 -5.210 1.00 3.03 C ATOM 0 H VAL A 50 15.608 -12.964 -2.194 1.00 71.11 H new ATOM 0 HA VAL A 50 18.292 -13.989 -2.815 1.00 74.32 H new ATOM 0 HB VAL A 50 17.066 -14.108 -4.913 1.00 74.35 H new ATOM 0 HG11 VAL A 50 15.963 -12.135 -5.888 1.00 44.41 H new ATOM 0 HG12 VAL A 50 15.213 -12.620 -4.348 1.00 44.41 H new ATOM 0 HG13 VAL A 50 16.305 -11.216 -4.403 1.00 44.41 H new ATOM 0 HG21 VAL A 50 18.369 -12.531 -6.282 1.00 3.03 H new ATOM 0 HG22 VAL A 50 18.812 -11.629 -4.813 1.00 3.03 H new ATOM 0 HG23 VAL A 50 19.370 -13.305 -5.031 1.00 3.03 H new ATOM 825 N PRO A 51 19.288 -11.813 -2.118 1.00 44.41 N ATOM 826 CA PRO A 51 19.892 -10.588 -1.585 1.00 52.40 C ATOM 827 C PRO A 51 20.002 -9.490 -2.638 1.00 65.20 C ATOM 828 O PRO A 51 19.933 -9.758 -3.838 1.00 14.33 O ATOM 829 CB PRO A 51 21.284 -11.043 -1.139 1.00 15.22 C ATOM 830 CG PRO A 51 21.582 -12.232 -1.984 1.00 62.44 C ATOM 831 CD PRO A 51 20.262 -12.912 -2.224 1.00 44.11 C ATOM 0 HA PRO A 51 19.294 -10.154 -0.784 1.00 52.40 H new ATOM 0 HB2 PRO A 51 22.024 -10.256 -1.287 1.00 15.22 H new ATOM 0 HB3 PRO A 51 21.297 -11.297 -0.079 1.00 15.22 H new ATOM 0 HG2 PRO A 51 22.045 -11.935 -2.925 1.00 62.44 H new ATOM 0 HG3 PRO A 51 22.280 -12.902 -1.482 1.00 62.44 H new ATOM 0 HD2 PRO A 51 20.227 -13.387 -3.205 1.00 44.11 H new ATOM 0 HD3 PRO A 51 20.071 -13.691 -1.486 1.00 44.11 H new ATOM 839 N VAL A 52 20.176 -8.254 -2.182 1.00 0.23 N ATOM 840 CA VAL A 52 20.298 -7.116 -3.085 1.00 0.32 C ATOM 841 C VAL A 52 21.726 -6.974 -3.601 1.00 13.05 C ATOM 842 O VAL A 52 21.963 -6.361 -4.641 1.00 53.32 O ATOM 843 CB VAL A 52 19.881 -5.804 -2.394 1.00 52.21 C ATOM 844 CG1 VAL A 52 19.638 -4.711 -3.424 1.00 71.53 C ATOM 845 CG2 VAL A 52 18.644 -6.024 -1.536 1.00 52.24 C ATOM 0 H VAL A 52 20.236 -8.015 -1.192 1.00 0.23 H new ATOM 0 HA VAL A 52 19.629 -7.305 -3.924 1.00 0.32 H new ATOM 0 HB VAL A 52 20.694 -5.482 -1.743 1.00 52.21 H new ATOM 0 HG11 VAL A 52 19.344 -3.792 -2.917 1.00 71.53 H new ATOM 0 HG12 VAL A 52 20.552 -4.536 -3.992 1.00 71.53 H new ATOM 0 HG13 VAL A 52 18.843 -5.021 -4.103 1.00 71.53 H new ATOM 0 HG21 VAL A 52 18.363 -5.087 -1.055 1.00 52.24 H new ATOM 0 HG22 VAL A 52 17.823 -6.370 -2.164 1.00 52.24 H new ATOM 0 HG23 VAL A 52 18.858 -6.773 -0.774 1.00 52.24 H new ATOM 855 N SER A 53 22.674 -7.546 -2.865 1.00 41.24 N ATOM 856 CA SER A 53 24.080 -7.481 -3.247 1.00 1.35 C ATOM 857 C SER A 53 24.377 -8.442 -4.394 1.00 1.43 C ATOM 858 O SER A 53 25.490 -8.474 -4.919 1.00 23.02 O ATOM 859 CB SER A 53 24.971 -7.809 -2.047 1.00 62.32 C ATOM 860 OG SER A 53 24.992 -6.739 -1.118 1.00 74.25 O ATOM 0 H SER A 53 22.494 -8.059 -2.002 1.00 41.24 H new ATOM 0 HA SER A 53 24.294 -6.466 -3.583 1.00 1.35 H new ATOM 0 HB2 SER A 53 24.608 -8.713 -1.557 1.00 62.32 H new ATOM 0 HB3 SER A 53 25.985 -8.017 -2.389 1.00 62.32 H new ATOM 0 HG SER A 53 25.284 -7.071 -0.243 1.00 74.25 H new ATOM 866 N TYR A 54 23.374 -9.223 -4.777 1.00 54.12 N ATOM 867 CA TYR A 54 23.526 -10.187 -5.860 1.00 64.12 C ATOM 868 C TYR A 54 22.450 -9.987 -6.923 1.00 65.42 C ATOM 869 O TYR A 54 22.416 -10.695 -7.930 1.00 24.42 O ATOM 870 CB TYR A 54 23.461 -11.614 -5.314 1.00 35.22 C ATOM 871 CG TYR A 54 24.568 -11.940 -4.337 1.00 33.30 C ATOM 872 CD1 TYR A 54 24.550 -11.435 -3.043 1.00 12.03 C ATOM 873 CD2 TYR A 54 25.632 -12.753 -4.708 1.00 52.43 C ATOM 874 CE1 TYR A 54 25.559 -11.730 -2.147 1.00 5.41 C ATOM 875 CE2 TYR A 54 26.645 -13.054 -3.819 1.00 10.32 C ATOM 876 CZ TYR A 54 26.604 -12.540 -2.540 1.00 5.35 C ATOM 877 OH TYR A 54 27.613 -12.836 -1.651 1.00 35.11 O ATOM 0 H TYR A 54 22.446 -9.208 -4.353 1.00 54.12 H new ATOM 0 HA TYR A 54 24.500 -10.026 -6.321 1.00 64.12 H new ATOM 0 HB2 TYR A 54 22.499 -11.763 -4.823 1.00 35.22 H new ATOM 0 HB3 TYR A 54 23.505 -12.315 -6.147 1.00 35.22 H new ATOM 0 HD1 TYR A 54 23.733 -10.801 -2.732 1.00 12.03 H new ATOM 0 HD2 TYR A 54 25.667 -13.157 -5.709 1.00 52.43 H new ATOM 0 HE1 TYR A 54 25.530 -11.329 -1.145 1.00 5.41 H new ATOM 0 HE2 TYR A 54 27.464 -13.688 -4.124 1.00 10.32 H new ATOM 0 HH TYR A 54 28.271 -13.419 -2.085 1.00 35.11 H new ATOM 887 N VAL A 55 21.572 -9.017 -6.692 1.00 4.40 N ATOM 888 CA VAL A 55 20.495 -8.721 -7.629 1.00 44.42 C ATOM 889 C VAL A 55 20.512 -7.253 -8.040 1.00 44.32 C ATOM 890 O VAL A 55 20.892 -6.382 -7.256 1.00 71.44 O ATOM 891 CB VAL A 55 19.119 -9.058 -7.027 1.00 14.33 C ATOM 892 CG1 VAL A 55 18.388 -7.787 -6.620 1.00 73.14 C ATOM 893 CG2 VAL A 55 18.290 -9.867 -8.013 1.00 32.35 C ATOM 0 H VAL A 55 21.585 -8.422 -5.863 1.00 4.40 H new ATOM 0 HA VAL A 55 20.661 -9.343 -8.508 1.00 44.42 H new ATOM 0 HB VAL A 55 19.271 -9.663 -6.133 1.00 14.33 H new ATOM 0 HG11 VAL A 55 17.417 -8.045 -6.197 1.00 73.14 H new ATOM 0 HG12 VAL A 55 18.977 -7.251 -5.876 1.00 73.14 H new ATOM 0 HG13 VAL A 55 18.245 -7.153 -7.495 1.00 73.14 H new ATOM 0 HG21 VAL A 55 17.320 -10.096 -7.571 1.00 32.35 H new ATOM 0 HG22 VAL A 55 18.145 -9.290 -8.926 1.00 32.35 H new ATOM 0 HG23 VAL A 55 18.810 -10.795 -8.250 1.00 32.35 H new ATOM 903 N ARG A 56 20.098 -6.985 -9.274 1.00 44.43 N ATOM 904 CA ARG A 56 20.067 -5.621 -9.790 1.00 73.43 C ATOM 905 C ARG A 56 18.666 -5.255 -10.271 1.00 52.43 C ATOM 906 O ARG A 56 18.188 -5.779 -11.278 1.00 14.42 O ATOM 907 CB ARG A 56 21.068 -5.463 -10.936 1.00 24.44 C ATOM 908 CG ARG A 56 20.760 -4.296 -11.858 1.00 55.42 C ATOM 909 CD ARG A 56 21.872 -4.076 -12.871 1.00 64.41 C ATOM 910 NE ARG A 56 22.165 -5.287 -13.634 1.00 33.24 N ATOM 911 CZ ARG A 56 22.777 -5.283 -14.812 1.00 62.44 C ATOM 912 NH1 ARG A 56 23.160 -4.138 -15.360 1.00 63.54 N ATOM 913 NH2 ARG A 56 23.008 -6.427 -15.445 1.00 40.42 N ATOM 0 H ARG A 56 19.780 -7.694 -9.935 1.00 44.43 H new ATOM 0 HA ARG A 56 20.344 -4.946 -8.980 1.00 73.43 H new ATOM 0 HB2 ARG A 56 22.067 -5.332 -10.519 1.00 24.44 H new ATOM 0 HB3 ARG A 56 21.085 -6.382 -11.521 1.00 24.44 H new ATOM 0 HG2 ARG A 56 19.822 -4.482 -12.381 1.00 55.42 H new ATOM 0 HG3 ARG A 56 20.621 -3.391 -11.267 1.00 55.42 H new ATOM 0 HD2 ARG A 56 21.586 -3.277 -13.555 1.00 64.41 H new ATOM 0 HD3 ARG A 56 22.773 -3.746 -12.354 1.00 64.41 H new ATOM 0 HE ARG A 56 21.884 -6.185 -13.240 1.00 33.24 H new ATOM 0 HH11 ARG A 56 22.985 -3.257 -14.876 1.00 63.54 H new ATOM 0 HH12 ARG A 56 23.630 -4.138 -16.265 1.00 63.54 H new ATOM 0 HH21 ARG A 56 22.715 -7.310 -15.026 1.00 40.42 H new ATOM 0 HH22 ARG A 56 23.478 -6.423 -16.350 1.00 40.42 H new ATOM 927 N ILE A 57 18.014 -4.353 -9.545 1.00 52.23 N ATOM 928 CA ILE A 57 16.669 -3.916 -9.898 1.00 73.24 C ATOM 929 C ILE A 57 16.666 -3.160 -11.223 1.00 20.42 C ATOM 930 O ILE A 57 17.194 -2.052 -11.317 1.00 61.05 O ATOM 931 CB ILE A 57 16.064 -3.016 -8.805 1.00 50.41 C ATOM 932 CG1 ILE A 57 15.450 -3.869 -7.693 1.00 5.42 C ATOM 933 CG2 ILE A 57 15.020 -2.085 -9.403 1.00 52.23 C ATOM 934 CD1 ILE A 57 16.430 -4.833 -7.061 1.00 74.45 C ATOM 0 H ILE A 57 18.395 -3.911 -8.709 1.00 52.23 H new ATOM 0 HA ILE A 57 16.061 -4.815 -9.994 1.00 73.24 H new ATOM 0 HB ILE A 57 16.860 -2.409 -8.374 1.00 50.41 H new ATOM 0 HG12 ILE A 57 15.050 -3.212 -6.921 1.00 5.42 H new ATOM 0 HG13 ILE A 57 14.610 -4.432 -8.100 1.00 5.42 H new ATOM 0 HG21 ILE A 57 14.602 -1.455 -8.618 1.00 52.23 H new ATOM 0 HG22 ILE A 57 15.485 -1.457 -10.163 1.00 52.23 H new ATOM 0 HG23 ILE A 57 14.224 -2.675 -9.858 1.00 52.23 H new ATOM 0 HD11 ILE A 57 15.927 -5.405 -6.281 1.00 74.45 H new ATOM 0 HD12 ILE A 57 16.812 -5.514 -7.821 1.00 74.45 H new ATOM 0 HD13 ILE A 57 17.259 -4.275 -6.624 1.00 74.45 H new ATOM 946 N ILE A 58 16.067 -3.766 -12.242 1.00 71.42 N ATOM 947 CA ILE A 58 15.993 -3.149 -13.561 1.00 32.14 C ATOM 948 C ILE A 58 14.557 -3.120 -14.074 1.00 62.42 C ATOM 949 O ILE A 58 13.795 -4.066 -13.871 1.00 44.12 O ATOM 950 CB ILE A 58 16.876 -3.892 -14.580 1.00 42.24 C ATOM 951 CG1 ILE A 58 16.679 -5.404 -14.453 1.00 3.21 C ATOM 952 CG2 ILE A 58 18.339 -3.524 -14.381 1.00 51.00 C ATOM 953 CD1 ILE A 58 16.914 -6.155 -15.745 1.00 1.22 C ATOM 0 H ILE A 58 15.626 -4.684 -12.180 1.00 71.42 H new ATOM 0 HA ILE A 58 16.358 -2.128 -13.453 1.00 32.14 H new ATOM 0 HB ILE A 58 16.579 -3.590 -15.584 1.00 42.24 H new ATOM 0 HG12 ILE A 58 17.357 -5.788 -13.691 1.00 3.21 H new ATOM 0 HG13 ILE A 58 15.665 -5.602 -14.106 1.00 3.21 H new ATOM 0 HG21 ILE A 58 18.951 -4.057 -15.109 1.00 51.00 H new ATOM 0 HG22 ILE A 58 18.466 -2.450 -14.518 1.00 51.00 H new ATOM 0 HG23 ILE A 58 18.650 -3.801 -13.374 1.00 51.00 H new ATOM 0 HD11 ILE A 58 16.757 -7.221 -15.580 1.00 1.22 H new ATOM 0 HD12 ILE A 58 16.218 -5.799 -16.505 1.00 1.22 H new ATOM 0 HD13 ILE A 58 17.937 -5.987 -16.083 1.00 1.22 H new ATOM 965 N ASP A 59 14.195 -2.030 -14.742 1.00 25.42 N ATOM 966 CA ASP A 59 12.852 -1.879 -15.288 1.00 32.01 C ATOM 967 C ASP A 59 12.635 -2.822 -16.468 1.00 3.43 C ATOM 968 O ASP A 59 13.388 -2.797 -17.442 1.00 41.44 O ATOM 969 CB ASP A 59 12.616 -0.432 -15.725 1.00 32.40 C ATOM 970 CG ASP A 59 11.236 -0.224 -16.317 1.00 72.32 C ATOM 971 OD1 ASP A 59 10.311 -0.977 -15.946 1.00 13.02 O ATOM 972 OD2 ASP A 59 11.081 0.692 -17.151 1.00 74.33 O ATOM 0 H ASP A 59 14.813 -1.238 -14.918 1.00 25.42 H new ATOM 0 HA ASP A 59 12.138 -2.135 -14.506 1.00 32.01 H new ATOM 0 HB2 ASP A 59 12.744 0.229 -14.868 1.00 32.40 H new ATOM 0 HB3 ASP A 59 13.370 -0.150 -16.460 1.00 32.40 H new ATOM 977 N LEU A 60 11.603 -3.653 -16.373 1.00 4.35 N ATOM 978 CA LEU A 60 11.288 -4.605 -17.432 1.00 31.15 C ATOM 979 C LEU A 60 11.088 -3.891 -18.764 1.00 51.14 C ATOM 980 O LEU A 60 11.268 -4.481 -19.829 1.00 74.31 O ATOM 981 CB LEU A 60 10.031 -5.400 -17.072 1.00 42.21 C ATOM 982 CG LEU A 60 9.382 -6.182 -18.214 1.00 64.53 C ATOM 983 CD1 LEU A 60 10.308 -7.288 -18.697 1.00 44.14 C ATOM 984 CD2 LEU A 60 8.045 -6.759 -17.773 1.00 60.24 C ATOM 0 H LEU A 60 10.970 -3.687 -15.574 1.00 4.35 H new ATOM 0 HA LEU A 60 12.129 -5.292 -17.532 1.00 31.15 H new ATOM 0 HB2 LEU A 60 10.284 -6.101 -16.276 1.00 42.21 H new ATOM 0 HB3 LEU A 60 9.292 -4.709 -16.666 1.00 42.21 H new ATOM 0 HG LEU A 60 9.204 -5.497 -19.043 1.00 64.53 H new ATOM 0 HD11 LEU A 60 9.829 -7.834 -19.510 1.00 44.14 H new ATOM 0 HD12 LEU A 60 11.241 -6.852 -19.053 1.00 44.14 H new ATOM 0 HD13 LEU A 60 10.518 -7.972 -17.875 1.00 44.14 H new ATOM 0 HD21 LEU A 60 7.597 -7.312 -18.599 1.00 60.24 H new ATOM 0 HD22 LEU A 60 8.199 -7.430 -16.928 1.00 60.24 H new ATOM 0 HD23 LEU A 60 7.379 -5.949 -17.476 1.00 60.24 H new ATOM 996 N MET A 61 10.717 -2.617 -18.697 1.00 51.51 N ATOM 997 CA MET A 61 10.496 -1.821 -19.899 1.00 41.21 C ATOM 998 C MET A 61 11.770 -1.087 -20.307 1.00 14.23 C ATOM 999 O MET A 61 11.992 -0.819 -21.488 1.00 13.34 O ATOM 1000 CB MET A 61 9.365 -0.816 -19.671 1.00 23.02 C ATOM 1001 CG MET A 61 8.033 -1.466 -19.333 1.00 64.35 C ATOM 1002 SD MET A 61 7.726 -1.540 -17.558 1.00 41.23 S ATOM 1003 CE MET A 61 7.200 -3.242 -17.376 1.00 32.10 C ATOM 0 H MET A 61 10.563 -2.113 -17.823 1.00 51.51 H new ATOM 0 HA MET A 61 10.213 -2.498 -20.705 1.00 41.21 H new ATOM 0 HB2 MET A 61 9.647 -0.142 -18.862 1.00 23.02 H new ATOM 0 HB3 MET A 61 9.246 -0.207 -20.567 1.00 23.02 H new ATOM 0 HG2 MET A 61 7.229 -0.909 -19.814 1.00 64.35 H new ATOM 0 HG3 MET A 61 8.011 -2.475 -19.744 1.00 64.35 H new ATOM 0 HE1 MET A 61 7.396 -3.577 -16.357 1.00 32.10 H new ATOM 0 HE2 MET A 61 6.133 -3.317 -17.583 1.00 32.10 H new ATOM 0 HE3 MET A 61 7.751 -3.870 -18.076 1.00 32.10 H new ATOM 1013 N ASP A 62 12.602 -0.765 -19.323 1.00 10.42 N ATOM 1014 CA ASP A 62 13.854 -0.062 -19.580 1.00 32.03 C ATOM 1015 C ASP A 62 14.958 -0.564 -18.655 1.00 23.12 C ATOM 1016 O ASP A 62 15.302 0.070 -17.657 1.00 33.33 O ATOM 1017 CB ASP A 62 13.665 1.445 -19.397 1.00 75.34 C ATOM 1018 CG ASP A 62 12.295 1.915 -19.846 1.00 34.52 C ATOM 1019 OD1 ASP A 62 11.970 1.744 -21.040 1.00 32.33 O ATOM 1020 OD2 ASP A 62 11.547 2.452 -19.003 1.00 0.24 O ATOM 0 H ASP A 62 12.433 -0.979 -18.340 1.00 10.42 H new ATOM 0 HA ASP A 62 14.149 -0.261 -20.610 1.00 32.03 H new ATOM 0 HB2 ASP A 62 13.808 1.701 -18.347 1.00 75.34 H new ATOM 0 HB3 ASP A 62 14.431 1.976 -19.962 1.00 75.34 H new ATOM 1025 N PRO A 63 15.528 -1.731 -18.992 1.00 1.41 N ATOM 1026 CA PRO A 63 16.602 -2.344 -18.204 1.00 53.14 C ATOM 1027 C PRO A 63 17.909 -1.565 -18.301 1.00 21.10 C ATOM 1028 O PRO A 63 18.873 -1.863 -17.597 1.00 2.34 O ATOM 1029 CB PRO A 63 16.757 -3.730 -18.835 1.00 50.13 C ATOM 1030 CG PRO A 63 16.265 -3.568 -20.232 1.00 51.40 C ATOM 1031 CD PRO A 63 15.169 -2.540 -20.168 1.00 73.31 C ATOM 0 HA PRO A 63 16.365 -2.369 -17.140 1.00 53.14 H new ATOM 0 HB2 PRO A 63 17.796 -4.059 -18.817 1.00 50.13 H new ATOM 0 HB3 PRO A 63 16.176 -4.478 -18.295 1.00 50.13 H new ATOM 0 HG2 PRO A 63 17.068 -3.242 -20.893 1.00 51.40 H new ATOM 0 HG3 PRO A 63 15.891 -4.513 -20.626 1.00 51.40 H new ATOM 0 HD2 PRO A 63 15.131 -1.936 -21.075 1.00 73.31 H new ATOM 0 HD3 PRO A 63 14.189 -3.004 -20.053 1.00 73.31 H new ATOM 1039 N ALA A 64 17.934 -0.566 -19.177 1.00 61.34 N ATOM 1040 CA ALA A 64 19.123 0.257 -19.364 1.00 34.31 C ATOM 1041 C ALA A 64 19.050 1.524 -18.520 1.00 5.55 C ATOM 1042 O ALA A 64 20.018 2.281 -18.432 1.00 71.13 O ATOM 1043 CB ALA A 64 19.296 0.609 -20.834 1.00 74.50 C ATOM 0 H ALA A 64 17.144 -0.307 -19.768 1.00 61.34 H new ATOM 0 HA ALA A 64 19.989 -0.318 -19.036 1.00 34.31 H new ATOM 0 HB1 ALA A 64 20.188 1.224 -20.958 1.00 74.50 H new ATOM 0 HB2 ALA A 64 19.402 -0.306 -21.417 1.00 74.50 H new ATOM 0 HB3 ALA A 64 18.423 1.162 -21.181 1.00 74.50 H new ATOM 1049 N LYS A 65 17.898 1.752 -17.899 1.00 73.31 N ATOM 1050 CA LYS A 65 17.698 2.928 -17.061 1.00 23.24 C ATOM 1051 C LYS A 65 18.218 2.683 -15.648 1.00 32.25 C ATOM 1052 O LYS A 65 19.005 3.469 -15.120 1.00 51.12 O ATOM 1053 CB LYS A 65 16.215 3.300 -17.013 1.00 34.23 C ATOM 1054 CG LYS A 65 15.748 4.095 -18.220 1.00 34.23 C ATOM 1055 CD LYS A 65 14.773 5.191 -17.822 1.00 60.24 C ATOM 1056 CE LYS A 65 15.482 6.341 -17.125 1.00 3.40 C ATOM 1057 NZ LYS A 65 14.831 7.650 -17.411 1.00 33.42 N ATOM 0 H LYS A 65 17.087 1.136 -17.961 1.00 73.31 H new ATOM 0 HA LYS A 65 18.259 3.754 -17.498 1.00 23.24 H new ATOM 0 HB2 LYS A 65 15.623 2.388 -16.938 1.00 34.23 H new ATOM 0 HB3 LYS A 65 16.024 3.880 -16.110 1.00 34.23 H new ATOM 0 HG2 LYS A 65 16.609 4.537 -18.721 1.00 34.23 H new ATOM 0 HG3 LYS A 65 15.272 3.425 -18.936 1.00 34.23 H new ATOM 0 HD2 LYS A 65 14.260 5.563 -18.709 1.00 60.24 H new ATOM 0 HD3 LYS A 65 14.010 4.779 -17.162 1.00 60.24 H new ATOM 0 HE2 LYS A 65 15.487 6.166 -16.049 1.00 3.40 H new ATOM 0 HE3 LYS A 65 16.523 6.375 -17.448 1.00 3.40 H new ATOM 0 HZ1 LYS A 65 15.344 8.408 -16.918 1.00 33.42 H new ATOM 0 HZ2 LYS A 65 14.848 7.830 -18.435 1.00 33.42 H new ATOM 0 HZ3 LYS A 65 13.845 7.627 -17.080 1.00 33.42 H new ATOM 1071 N TYR A 66 17.774 1.588 -15.040 1.00 73.05 N ATOM 1072 CA TYR A 66 18.193 1.240 -13.688 1.00 43.41 C ATOM 1073 C TYR A 66 19.331 0.225 -13.715 1.00 23.31 C ATOM 1074 O TYR A 66 19.540 -0.516 -12.754 1.00 50.15 O ATOM 1075 CB TYR A 66 17.013 0.679 -12.894 1.00 13.34 C ATOM 1076 CG TYR A 66 15.951 1.709 -12.578 1.00 62.21 C ATOM 1077 CD1 TYR A 66 15.208 2.301 -13.591 1.00 54.44 C ATOM 1078 CD2 TYR A 66 15.692 2.090 -11.267 1.00 64.33 C ATOM 1079 CE1 TYR A 66 14.237 3.243 -13.308 1.00 62.01 C ATOM 1080 CE2 TYR A 66 14.723 3.029 -10.975 1.00 0.24 C ATOM 1081 CZ TYR A 66 13.998 3.603 -11.998 1.00 43.23 C ATOM 1082 OH TYR A 66 13.033 4.541 -11.711 1.00 33.41 O ATOM 0 H TYR A 66 17.123 0.926 -15.463 1.00 73.05 H new ATOM 0 HA TYR A 66 18.551 2.147 -13.201 1.00 43.41 H new ATOM 0 HB2 TYR A 66 16.560 -0.136 -13.459 1.00 13.34 H new ATOM 0 HB3 TYR A 66 17.383 0.253 -11.961 1.00 13.34 H new ATOM 0 HD1 TYR A 66 15.392 2.020 -14.618 1.00 54.44 H new ATOM 0 HD2 TYR A 66 16.258 1.644 -10.463 1.00 64.33 H new ATOM 0 HE1 TYR A 66 13.669 3.695 -14.108 1.00 62.01 H new ATOM 0 HE2 TYR A 66 14.534 3.313 -9.950 1.00 0.24 H new ATOM 0 HH TYR A 66 12.286 4.110 -11.246 1.00 33.41 H new ATOM 1092 N ALA A 67 20.065 0.197 -14.823 1.00 10.03 N ATOM 1093 CA ALA A 67 21.184 -0.725 -14.975 1.00 53.23 C ATOM 1094 C ALA A 67 22.459 -0.145 -14.374 1.00 1.45 C ATOM 1095 O ALA A 67 23.407 -0.874 -14.083 1.00 2.21 O ATOM 1096 CB ALA A 67 21.396 -1.059 -16.444 1.00 74.04 C ATOM 0 H ALA A 67 19.905 0.802 -15.628 1.00 10.03 H new ATOM 0 HA ALA A 67 20.943 -1.641 -14.436 1.00 53.23 H new ATOM 0 HB1 ALA A 67 22.235 -1.748 -16.543 1.00 74.04 H new ATOM 0 HB2 ALA A 67 20.495 -1.523 -16.845 1.00 74.04 H new ATOM 0 HB3 ALA A 67 21.610 -0.145 -16.998 1.00 74.04 H new ATOM 1102 N SER A 68 22.476 1.172 -14.190 1.00 34.22 N ATOM 1103 CA SER A 68 23.637 1.850 -13.627 1.00 10.43 C ATOM 1104 C SER A 68 23.507 1.983 -12.112 1.00 65.23 C ATOM 1105 O SER A 68 24.505 2.105 -11.401 1.00 34.45 O ATOM 1106 CB SER A 68 23.802 3.234 -14.259 1.00 33.14 C ATOM 1107 OG SER A 68 22.686 4.061 -13.974 1.00 65.42 O ATOM 0 H SER A 68 21.699 1.790 -14.423 1.00 34.22 H new ATOM 0 HA SER A 68 24.520 1.250 -13.848 1.00 10.43 H new ATOM 0 HB2 SER A 68 24.711 3.703 -13.883 1.00 33.14 H new ATOM 0 HB3 SER A 68 23.918 3.133 -15.338 1.00 33.14 H new ATOM 0 HG SER A 68 22.816 4.940 -14.387 1.00 65.42 H new ATOM 1113 N VAL A 69 22.271 1.958 -11.626 1.00 74.00 N ATOM 1114 CA VAL A 69 22.009 2.074 -10.196 1.00 73.14 C ATOM 1115 C VAL A 69 22.831 1.065 -9.403 1.00 63.34 C ATOM 1116 O VAL A 69 23.234 0.027 -9.929 1.00 20.20 O ATOM 1117 CB VAL A 69 20.516 1.864 -9.881 1.00 12.35 C ATOM 1118 CG1 VAL A 69 20.127 0.407 -10.081 1.00 11.55 C ATOM 1119 CG2 VAL A 69 20.203 2.318 -8.463 1.00 12.42 C ATOM 0 H VAL A 69 21.435 1.858 -12.201 1.00 74.00 H new ATOM 0 HA VAL A 69 22.297 3.083 -9.902 1.00 73.14 H new ATOM 0 HB VAL A 69 19.928 2.469 -10.571 1.00 12.35 H new ATOM 0 HG11 VAL A 69 19.069 0.278 -9.854 1.00 11.55 H new ATOM 0 HG12 VAL A 69 20.313 0.119 -11.116 1.00 11.55 H new ATOM 0 HG13 VAL A 69 20.720 -0.222 -9.417 1.00 11.55 H new ATOM 0 HG21 VAL A 69 19.144 2.163 -8.257 1.00 12.42 H new ATOM 0 HG22 VAL A 69 20.799 1.741 -7.756 1.00 12.42 H new ATOM 0 HG23 VAL A 69 20.442 3.376 -8.359 1.00 12.42 H new ATOM 1129 N ASP A 70 23.077 1.376 -8.136 1.00 32.15 N ATOM 1130 CA ASP A 70 23.851 0.495 -7.268 1.00 54.31 C ATOM 1131 C ASP A 70 22.963 -0.129 -6.196 1.00 75.03 C ATOM 1132 O ASP A 70 22.725 0.468 -5.146 1.00 32.03 O ATOM 1133 CB ASP A 70 24.996 1.268 -6.612 1.00 61.03 C ATOM 1134 CG ASP A 70 25.981 1.815 -7.627 1.00 12.21 C ATOM 1135 OD1 ASP A 70 25.880 1.439 -8.813 1.00 42.03 O ATOM 1136 OD2 ASP A 70 26.853 2.619 -7.234 1.00 74.05 O ATOM 0 H ASP A 70 22.752 2.232 -7.686 1.00 32.15 H new ATOM 0 HA ASP A 70 24.267 -0.305 -7.881 1.00 54.31 H new ATOM 0 HB2 ASP A 70 24.586 2.092 -6.027 1.00 61.03 H new ATOM 0 HB3 ASP A 70 25.521 0.613 -5.917 1.00 61.03 H new ATOM 1141 N THR A 71 22.473 -1.335 -6.469 1.00 10.31 N ATOM 1142 CA THR A 71 21.609 -2.039 -5.530 1.00 24.22 C ATOM 1143 C THR A 71 22.306 -2.244 -4.190 1.00 22.15 C ATOM 1144 O THR A 71 21.684 -2.135 -3.133 1.00 22.25 O ATOM 1145 CB THR A 71 21.176 -3.409 -6.085 1.00 34.13 C ATOM 1146 OG1 THR A 71 21.973 -3.751 -7.224 1.00 54.11 O ATOM 1147 CG2 THR A 71 19.705 -3.394 -6.474 1.00 61.20 C ATOM 0 H THR A 71 22.660 -1.844 -7.333 1.00 10.31 H new ATOM 0 HA THR A 71 20.725 -1.417 -5.386 1.00 24.22 H new ATOM 0 HB THR A 71 21.322 -4.155 -5.304 1.00 34.13 H new ATOM 0 HG1 THR A 71 21.844 -4.698 -7.441 1.00 54.11 H new ATOM 0 HG21 THR A 71 19.422 -4.372 -6.863 1.00 61.20 H new ATOM 0 HG22 THR A 71 19.099 -3.163 -5.598 1.00 61.20 H new ATOM 0 HG23 THR A 71 19.539 -2.637 -7.240 1.00 61.20 H new ATOM 1155 N TYR A 72 23.600 -2.540 -4.240 1.00 60.40 N ATOM 1156 CA TYR A 72 24.381 -2.762 -3.029 1.00 21.20 C ATOM 1157 C TYR A 72 24.271 -1.570 -2.084 1.00 12.14 C ATOM 1158 O TYR A 72 24.092 -1.735 -0.877 1.00 2.23 O ATOM 1159 CB TYR A 72 25.848 -3.013 -3.382 1.00 21.40 C ATOM 1160 CG TYR A 72 26.765 -3.037 -2.180 1.00 33.23 C ATOM 1161 CD1 TYR A 72 26.397 -3.699 -1.014 1.00 51.43 C ATOM 1162 CD2 TYR A 72 27.998 -2.398 -2.209 1.00 12.35 C ATOM 1163 CE1 TYR A 72 27.231 -3.722 0.087 1.00 74.51 C ATOM 1164 CE2 TYR A 72 28.839 -2.418 -1.113 1.00 15.33 C ATOM 1165 CZ TYR A 72 28.451 -3.081 0.033 1.00 75.13 C ATOM 1166 OH TYR A 72 29.285 -3.102 1.127 1.00 74.00 O ATOM 0 H TYR A 72 24.130 -2.632 -5.106 1.00 60.40 H new ATOM 0 HA TYR A 72 23.980 -3.641 -2.525 1.00 21.20 H new ATOM 0 HB2 TYR A 72 25.929 -3.964 -3.909 1.00 21.40 H new ATOM 0 HB3 TYR A 72 26.185 -2.238 -4.070 1.00 21.40 H new ATOM 0 HD1 TYR A 72 25.443 -4.204 -0.968 1.00 51.43 H new ATOM 0 HD2 TYR A 72 28.305 -1.877 -3.104 1.00 12.35 H new ATOM 0 HE1 TYR A 72 26.929 -4.239 0.986 1.00 74.51 H new ATOM 0 HE2 TYR A 72 29.795 -1.917 -1.153 1.00 15.33 H new ATOM 0 HH TYR A 72 30.104 -2.605 0.923 1.00 74.00 H new ATOM 1176 N ASP A 73 24.378 -0.369 -2.642 1.00 20.24 N ATOM 1177 CA ASP A 73 24.289 0.852 -1.850 1.00 52.52 C ATOM 1178 C ASP A 73 22.908 0.990 -1.217 1.00 12.11 C ATOM 1179 O ASP A 73 21.918 1.230 -1.909 1.00 30.33 O ATOM 1180 CB ASP A 73 24.588 2.073 -2.722 1.00 12.21 C ATOM 1181 CG ASP A 73 24.610 3.362 -1.925 1.00 3.45 C ATOM 1182 OD1 ASP A 73 24.536 3.291 -0.680 1.00 43.21 O ATOM 1183 OD2 ASP A 73 24.701 4.443 -2.545 1.00 20.31 O ATOM 0 H ASP A 73 24.526 -0.215 -3.639 1.00 20.24 H new ATOM 0 HA ASP A 73 25.030 0.794 -1.053 1.00 52.52 H new ATOM 0 HB2 ASP A 73 25.551 1.937 -3.214 1.00 12.21 H new ATOM 0 HB3 ASP A 73 23.836 2.148 -3.508 1.00 12.21 H new ATOM 1188 N ARG A 74 22.849 0.836 0.102 1.00 61.22 N ATOM 1189 CA ARG A 74 21.589 0.941 0.828 1.00 62.51 C ATOM 1190 C ARG A 74 20.875 2.247 0.492 1.00 21.42 C ATOM 1191 O ARG A 74 19.648 2.325 0.543 1.00 22.52 O ATOM 1192 CB ARG A 74 21.836 0.855 2.335 1.00 21.32 C ATOM 1193 CG ARG A 74 22.428 2.123 2.929 1.00 62.44 C ATOM 1194 CD ARG A 74 23.881 2.303 2.519 1.00 44.51 C ATOM 1195 NE ARG A 74 24.676 1.106 2.777 1.00 21.34 N ATOM 1196 CZ ARG A 74 25.863 0.878 2.226 1.00 1.32 C ATOM 1197 NH1 ARG A 74 26.390 1.763 1.391 1.00 62.53 N ATOM 1198 NH2 ARG A 74 26.526 -0.236 2.511 1.00 53.50 N ATOM 0 H ARG A 74 23.659 0.638 0.689 1.00 61.22 H new ATOM 0 HA ARG A 74 20.952 0.110 0.523 1.00 62.51 H new ATOM 0 HB2 ARG A 74 20.894 0.634 2.837 1.00 21.32 H new ATOM 0 HB3 ARG A 74 22.508 0.021 2.537 1.00 21.32 H new ATOM 0 HG2 ARG A 74 21.847 2.985 2.602 1.00 62.44 H new ATOM 0 HG3 ARG A 74 22.357 2.085 4.016 1.00 62.44 H new ATOM 0 HD2 ARG A 74 23.930 2.549 1.458 1.00 44.51 H new ATOM 0 HD3 ARG A 74 24.309 3.146 3.062 1.00 44.51 H new ATOM 0 HE ARG A 74 24.299 0.406 3.416 1.00 21.34 H new ATOM 0 HH11 ARG A 74 25.884 2.621 1.171 1.00 62.53 H new ATOM 0 HH12 ARG A 74 27.302 1.586 0.969 1.00 62.53 H new ATOM 0 HH21 ARG A 74 26.124 -0.918 3.154 1.00 53.50 H new ATOM 0 HH22 ARG A 74 27.437 -0.410 2.087 1.00 53.50 H new ATOM 1212 N GLU A 75 21.653 3.269 0.150 1.00 54.13 N ATOM 1213 CA GLU A 75 21.094 4.572 -0.193 1.00 34.33 C ATOM 1214 C GLU A 75 20.296 4.497 -1.491 1.00 72.14 C ATOM 1215 O GLU A 75 19.114 4.839 -1.526 1.00 3.42 O ATOM 1216 CB GLU A 75 22.209 5.611 -0.325 1.00 53.04 C ATOM 1217 CG GLU A 75 22.642 6.212 1.001 1.00 32.23 C ATOM 1218 CD GLU A 75 23.600 7.375 0.830 1.00 32.42 C ATOM 1219 OE1 GLU A 75 23.122 8.511 0.630 1.00 44.22 O ATOM 1220 OE2 GLU A 75 24.826 7.148 0.896 1.00 1.52 O ATOM 0 H GLU A 75 22.671 3.220 0.103 1.00 54.13 H new ATOM 0 HA GLU A 75 20.421 4.873 0.610 1.00 34.33 H new ATOM 0 HB2 GLU A 75 23.072 5.147 -0.803 1.00 53.04 H new ATOM 0 HB3 GLU A 75 21.872 6.411 -0.984 1.00 53.04 H new ATOM 0 HG2 GLU A 75 21.761 6.549 1.548 1.00 32.23 H new ATOM 0 HG3 GLU A 75 23.117 5.441 1.607 1.00 32.23 H new ATOM 1227 N GLN A 76 20.951 4.047 -2.557 1.00 4.54 N ATOM 1228 CA GLN A 76 20.304 3.929 -3.858 1.00 12.13 C ATOM 1229 C GLN A 76 19.092 3.006 -3.781 1.00 1.23 C ATOM 1230 O GLN A 76 17.982 3.391 -4.148 1.00 34.53 O ATOM 1231 CB GLN A 76 21.295 3.404 -4.898 1.00 74.11 C ATOM 1232 CG GLN A 76 22.534 4.271 -5.050 1.00 20.20 C ATOM 1233 CD GLN A 76 22.863 4.570 -6.499 1.00 61.23 C ATOM 1234 OE1 GLN A 76 21.995 4.973 -7.275 1.00 25.34 O ATOM 1235 NE2 GLN A 76 24.122 4.374 -6.873 1.00 61.13 N ATOM 0 H GLN A 76 21.929 3.758 -2.545 1.00 4.54 H new ATOM 0 HA GLN A 76 19.964 4.920 -4.158 1.00 12.13 H new ATOM 0 HB2 GLN A 76 21.600 2.395 -4.620 1.00 74.11 H new ATOM 0 HB3 GLN A 76 20.792 3.331 -5.862 1.00 74.11 H new ATOM 0 HG2 GLN A 76 22.385 5.209 -4.514 1.00 20.20 H new ATOM 0 HG3 GLN A 76 23.383 3.770 -4.585 1.00 20.20 H new ATOM 0 HE21 GLN A 76 24.809 4.039 -6.197 1.00 61.13 H new ATOM 0 HE22 GLN A 76 24.402 4.558 -7.836 1.00 61.13 H new ATOM 1244 N VAL A 77 19.313 1.786 -3.301 1.00 41.15 N ATOM 1245 CA VAL A 77 18.239 0.808 -3.176 1.00 2.14 C ATOM 1246 C VAL A 77 17.071 1.375 -2.377 1.00 75.23 C ATOM 1247 O VAL A 77 15.913 1.046 -2.634 1.00 52.14 O ATOM 1248 CB VAL A 77 18.733 -0.483 -2.496 1.00 73.11 C ATOM 1249 CG1 VAL A 77 18.899 -0.269 -0.999 1.00 71.14 C ATOM 1250 CG2 VAL A 77 17.775 -1.631 -2.776 1.00 31.43 C ATOM 0 H VAL A 77 20.226 1.452 -2.992 1.00 41.15 H new ATOM 0 HA VAL A 77 17.905 0.573 -4.186 1.00 2.14 H new ATOM 0 HB VAL A 77 19.707 -0.742 -2.911 1.00 73.11 H new ATOM 0 HG11 VAL A 77 19.249 -1.192 -0.536 1.00 71.14 H new ATOM 0 HG12 VAL A 77 19.627 0.523 -0.823 1.00 71.14 H new ATOM 0 HG13 VAL A 77 17.941 0.015 -0.564 1.00 71.14 H new ATOM 0 HG21 VAL A 77 18.139 -2.536 -2.288 1.00 31.43 H new ATOM 0 HG22 VAL A 77 16.787 -1.383 -2.389 1.00 31.43 H new ATOM 0 HG23 VAL A 77 17.712 -1.799 -3.851 1.00 31.43 H new ATOM 1260 N MET A 78 17.382 2.229 -1.408 1.00 22.43 N ATOM 1261 CA MET A 78 16.357 2.843 -0.572 1.00 71.02 C ATOM 1262 C MET A 78 15.489 3.795 -1.389 1.00 0.33 C ATOM 1263 O MET A 78 14.263 3.685 -1.393 1.00 12.32 O ATOM 1264 CB MET A 78 17.002 3.595 0.594 1.00 72.23 C ATOM 1265 CG MET A 78 17.059 2.787 1.880 1.00 2.12 C ATOM 1266 SD MET A 78 17.626 3.762 3.287 1.00 30.54 S ATOM 1267 CE MET A 78 19.393 3.480 3.204 1.00 11.33 C ATOM 0 H MET A 78 18.336 2.512 -1.182 1.00 22.43 H new ATOM 0 HA MET A 78 15.723 2.050 -0.176 1.00 71.02 H new ATOM 0 HB2 MET A 78 18.014 3.887 0.312 1.00 72.23 H new ATOM 0 HB3 MET A 78 16.445 4.514 0.776 1.00 72.23 H new ATOM 0 HG2 MET A 78 16.069 2.385 2.096 1.00 2.12 H new ATOM 0 HG3 MET A 78 17.725 1.936 1.741 1.00 2.12 H new ATOM 0 HE1 MET A 78 19.853 3.770 4.149 1.00 11.33 H new ATOM 0 HE2 MET A 78 19.584 2.423 3.017 1.00 11.33 H new ATOM 0 HE3 MET A 78 19.819 4.075 2.396 1.00 11.33 H new ATOM 1277 N LYS A 79 16.133 4.731 -2.079 1.00 34.41 N ATOM 1278 CA LYS A 79 15.420 5.702 -2.900 1.00 44.32 C ATOM 1279 C LYS A 79 14.534 5.002 -3.926 1.00 3.42 C ATOM 1280 O LYS A 79 13.428 5.458 -4.218 1.00 45.21 O ATOM 1281 CB LYS A 79 16.413 6.624 -3.613 1.00 30.15 C ATOM 1282 CG LYS A 79 17.157 7.558 -2.674 1.00 11.01 C ATOM 1283 CD LYS A 79 18.530 7.917 -3.217 1.00 30.21 C ATOM 1284 CE LYS A 79 19.398 8.569 -2.152 1.00 14.25 C ATOM 1285 NZ LYS A 79 19.138 10.031 -2.043 1.00 55.52 N ATOM 0 H LYS A 79 17.147 4.837 -2.086 1.00 34.41 H new ATOM 0 HA LYS A 79 14.785 6.298 -2.244 1.00 44.32 H new ATOM 0 HB2 LYS A 79 17.137 6.015 -4.155 1.00 30.15 H new ATOM 0 HB3 LYS A 79 15.877 7.218 -4.354 1.00 30.15 H new ATOM 0 HG2 LYS A 79 16.574 8.467 -2.526 1.00 11.01 H new ATOM 0 HG3 LYS A 79 17.263 7.085 -1.698 1.00 11.01 H new ATOM 0 HD2 LYS A 79 19.022 7.018 -3.588 1.00 30.21 H new ATOM 0 HD3 LYS A 79 18.422 8.594 -4.064 1.00 30.21 H new ATOM 0 HE2 LYS A 79 19.210 8.094 -1.189 1.00 14.25 H new ATOM 0 HE3 LYS A 79 20.449 8.404 -2.389 1.00 14.25 H new ATOM 0 HZ1 LYS A 79 19.749 10.438 -1.307 1.00 55.52 H new ATOM 0 HZ2 LYS A 79 19.342 10.489 -2.954 1.00 55.52 H new ATOM 0 HZ3 LYS A 79 18.141 10.189 -1.792 1.00 55.52 H new ATOM 1299 N ILE A 80 15.026 3.893 -4.467 1.00 44.21 N ATOM 1300 CA ILE A 80 14.278 3.130 -5.458 1.00 35.14 C ATOM 1301 C ILE A 80 13.030 2.504 -4.842 1.00 5.52 C ATOM 1302 O ILE A 80 11.922 2.677 -5.350 1.00 21.32 O ATOM 1303 CB ILE A 80 15.141 2.018 -6.082 1.00 30.21 C ATOM 1304 CG1 ILE A 80 16.371 2.620 -6.765 1.00 74.30 C ATOM 1305 CG2 ILE A 80 14.322 1.205 -7.074 1.00 10.24 C ATOM 1306 CD1 ILE A 80 17.576 1.706 -6.753 1.00 42.13 C ATOM 0 H ILE A 80 15.940 3.503 -4.236 1.00 44.21 H new ATOM 0 HA ILE A 80 13.983 3.831 -6.239 1.00 35.14 H new ATOM 0 HB ILE A 80 15.479 1.352 -5.288 1.00 30.21 H new ATOM 0 HG12 ILE A 80 16.120 2.864 -7.797 1.00 74.30 H new ATOM 0 HG13 ILE A 80 16.630 3.556 -6.270 1.00 74.30 H new ATOM 0 HG21 ILE A 80 14.946 0.423 -7.507 1.00 10.24 H new ATOM 0 HG22 ILE A 80 13.475 0.751 -6.560 1.00 10.24 H new ATOM 0 HG23 ILE A 80 13.958 1.858 -7.867 1.00 10.24 H new ATOM 0 HD11 ILE A 80 18.410 2.197 -7.254 1.00 42.13 H new ATOM 0 HD12 ILE A 80 17.852 1.482 -5.723 1.00 42.13 H new ATOM 0 HD13 ILE A 80 17.335 0.779 -7.274 1.00 42.13 H new ATOM 1318 N ILE A 81 13.219 1.780 -3.744 1.00 62.22 N ATOM 1319 CA ILE A 81 12.109 1.131 -3.057 1.00 41.43 C ATOM 1320 C ILE A 81 11.119 2.159 -2.521 1.00 11.43 C ATOM 1321 O ILE A 81 9.913 1.914 -2.483 1.00 0.03 O ATOM 1322 CB ILE A 81 12.603 0.254 -1.892 1.00 4.31 C ATOM 1323 CG1 ILE A 81 13.509 -0.863 -2.414 1.00 40.11 C ATOM 1324 CG2 ILE A 81 11.423 -0.327 -1.129 1.00 14.14 C ATOM 1325 CD1 ILE A 81 14.267 -1.586 -1.323 1.00 32.30 C ATOM 0 H ILE A 81 14.130 1.628 -3.311 1.00 62.22 H new ATOM 0 HA ILE A 81 11.610 0.498 -3.791 1.00 41.43 H new ATOM 0 HB ILE A 81 13.182 0.876 -1.209 1.00 4.31 H new ATOM 0 HG12 ILE A 81 12.904 -1.584 -2.963 1.00 40.11 H new ATOM 0 HG13 ILE A 81 14.222 -0.440 -3.122 1.00 40.11 H new ATOM 0 HG21 ILE A 81 11.789 -0.945 -0.309 1.00 14.14 H new ATOM 0 HG22 ILE A 81 10.813 0.483 -0.729 1.00 14.14 H new ATOM 0 HG23 ILE A 81 10.820 -0.937 -1.801 1.00 14.14 H new ATOM 0 HD11 ILE A 81 14.889 -2.364 -1.766 1.00 32.30 H new ATOM 0 HD12 ILE A 81 14.899 -0.877 -0.788 1.00 32.30 H new ATOM 0 HD13 ILE A 81 13.560 -2.038 -0.627 1.00 32.30 H new ATOM 1337 N ASP A 82 11.636 3.312 -2.109 1.00 30.55 N ATOM 1338 CA ASP A 82 10.797 4.379 -1.577 1.00 1.25 C ATOM 1339 C ASP A 82 9.968 5.022 -2.684 1.00 43.21 C ATOM 1340 O ASP A 82 8.768 5.241 -2.526 1.00 12.01 O ATOM 1341 CB ASP A 82 11.659 5.438 -0.887 1.00 52.31 C ATOM 1342 CG ASP A 82 10.842 6.612 -0.385 1.00 14.32 C ATOM 1343 OD1 ASP A 82 9.962 6.399 0.476 1.00 24.42 O ATOM 1344 OD2 ASP A 82 11.082 7.745 -0.852 1.00 71.00 O ATOM 0 H ASP A 82 12.632 3.531 -2.133 1.00 30.55 H new ATOM 0 HA ASP A 82 10.117 3.943 -0.846 1.00 1.25 H new ATOM 0 HB2 ASP A 82 12.188 4.983 -0.050 1.00 52.31 H new ATOM 0 HB3 ASP A 82 12.416 5.797 -1.585 1.00 52.31 H new ATOM 1349 N GLU A 83 10.618 5.323 -3.804 1.00 63.01 N ATOM 1350 CA GLU A 83 9.941 5.943 -4.937 1.00 34.22 C ATOM 1351 C GLU A 83 8.956 4.970 -5.580 1.00 41.53 C ATOM 1352 O GLU A 83 7.802 5.316 -5.836 1.00 23.15 O ATOM 1353 CB GLU A 83 10.961 6.414 -5.975 1.00 24.32 C ATOM 1354 CG GLU A 83 11.644 7.720 -5.608 1.00 3.43 C ATOM 1355 CD GLU A 83 10.701 8.907 -5.662 1.00 23.35 C ATOM 1356 OE1 GLU A 83 9.947 9.019 -6.650 1.00 54.43 O ATOM 1357 OE2 GLU A 83 10.718 9.722 -4.716 1.00 32.11 O ATOM 0 H GLU A 83 11.612 5.148 -3.951 1.00 63.01 H new ATOM 0 HA GLU A 83 9.386 6.805 -4.568 1.00 34.22 H new ATOM 0 HB2 GLU A 83 11.719 5.641 -6.104 1.00 24.32 H new ATOM 0 HB3 GLU A 83 10.460 6.533 -6.936 1.00 24.32 H new ATOM 0 HG2 GLU A 83 12.062 7.638 -4.605 1.00 3.43 H new ATOM 0 HG3 GLU A 83 12.479 7.893 -6.287 1.00 3.43 H new ATOM 1364 N PHE A 84 9.421 3.753 -5.840 1.00 73.15 N ATOM 1365 CA PHE A 84 8.583 2.730 -6.456 1.00 14.24 C ATOM 1366 C PHE A 84 7.486 2.276 -5.496 1.00 40.45 C ATOM 1367 O PHE A 84 6.515 1.638 -5.903 1.00 14.24 O ATOM 1368 CB PHE A 84 9.433 1.531 -6.880 1.00 1.12 C ATOM 1369 CG PHE A 84 10.111 1.717 -8.207 1.00 62.31 C ATOM 1370 CD1 PHE A 84 11.112 2.662 -8.363 1.00 10.14 C ATOM 1371 CD2 PHE A 84 9.747 0.946 -9.300 1.00 23.15 C ATOM 1372 CE1 PHE A 84 11.738 2.835 -9.583 1.00 3.24 C ATOM 1373 CE2 PHE A 84 10.370 1.114 -10.522 1.00 2.23 C ATOM 1374 CZ PHE A 84 11.366 2.061 -10.664 1.00 20.22 C ATOM 0 H PHE A 84 10.373 3.451 -5.634 1.00 73.15 H new ATOM 0 HA PHE A 84 8.113 3.164 -7.339 1.00 14.24 H new ATOM 0 HB2 PHE A 84 10.189 1.344 -6.118 1.00 1.12 H new ATOM 0 HB3 PHE A 84 8.800 0.645 -6.925 1.00 1.12 H new ATOM 0 HD1 PHE A 84 11.407 3.271 -7.521 1.00 10.14 H new ATOM 0 HD2 PHE A 84 8.968 0.206 -9.195 1.00 23.15 H new ATOM 0 HE1 PHE A 84 12.517 3.575 -9.691 1.00 3.24 H new ATOM 0 HE2 PHE A 84 10.079 0.506 -11.365 1.00 2.23 H new ATOM 0 HZ PHE A 84 11.853 2.195 -11.619 1.00 20.22 H new ATOM 1384 N LYS A 85 7.649 2.610 -4.221 1.00 20.03 N ATOM 1385 CA LYS A 85 6.674 2.239 -3.202 1.00 24.33 C ATOM 1386 C LYS A 85 6.522 0.723 -3.121 1.00 52.14 C ATOM 1387 O LYS A 85 5.407 0.201 -3.139 1.00 31.43 O ATOM 1388 CB LYS A 85 5.320 2.883 -3.504 1.00 14.03 C ATOM 1389 CG LYS A 85 5.373 4.398 -3.593 1.00 41.40 C ATOM 1390 CD LYS A 85 5.053 5.047 -2.257 1.00 0.31 C ATOM 1391 CE LYS A 85 5.178 6.561 -2.329 1.00 0.55 C ATOM 1392 NZ LYS A 85 4.764 7.213 -1.055 1.00 5.10 N ATOM 0 H LYS A 85 8.448 3.137 -3.868 1.00 20.03 H new ATOM 0 HA LYS A 85 7.035 2.602 -2.240 1.00 24.33 H new ATOM 0 HB2 LYS A 85 4.940 2.485 -4.445 1.00 14.03 H new ATOM 0 HB3 LYS A 85 4.610 2.598 -2.727 1.00 14.03 H new ATOM 0 HG2 LYS A 85 6.365 4.710 -3.922 1.00 41.40 H new ATOM 0 HG3 LYS A 85 4.664 4.744 -4.346 1.00 41.40 H new ATOM 0 HD2 LYS A 85 4.041 4.778 -1.954 1.00 0.31 H new ATOM 0 HD3 LYS A 85 5.728 4.661 -1.493 1.00 0.31 H new ATOM 0 HE2 LYS A 85 6.210 6.830 -2.556 1.00 0.55 H new ATOM 0 HE3 LYS A 85 4.563 6.938 -3.146 1.00 0.55 H new ATOM 0 HZ1 LYS A 85 4.864 8.244 -1.144 1.00 5.10 H new ATOM 0 HZ2 LYS A 85 3.772 6.977 -0.851 1.00 5.10 H new ATOM 0 HZ3 LYS A 85 5.367 6.873 -0.279 1.00 5.10 H new ATOM 1406 N ILE A 86 7.648 0.024 -3.032 1.00 71.42 N ATOM 1407 CA ILE A 86 7.638 -1.431 -2.946 1.00 71.54 C ATOM 1408 C ILE A 86 7.286 -1.897 -1.538 1.00 0.35 C ATOM 1409 O ILE A 86 7.842 -1.427 -0.545 1.00 10.53 O ATOM 1410 CB ILE A 86 9.000 -2.028 -3.347 1.00 21.42 C ATOM 1411 CG1 ILE A 86 9.492 -1.401 -4.653 1.00 4.15 C ATOM 1412 CG2 ILE A 86 8.896 -3.540 -3.485 1.00 52.24 C ATOM 1413 CD1 ILE A 86 10.876 -1.857 -5.058 1.00 64.20 C ATOM 0 H ILE A 86 8.579 0.441 -3.018 1.00 71.42 H new ATOM 0 HA ILE A 86 6.877 -1.782 -3.643 1.00 71.54 H new ATOM 0 HB ILE A 86 9.723 -1.803 -2.563 1.00 21.42 H new ATOM 0 HG12 ILE A 86 8.790 -1.645 -5.451 1.00 4.15 H new ATOM 0 HG13 ILE A 86 9.492 -0.316 -4.548 1.00 4.15 H new ATOM 0 HG21 ILE A 86 9.866 -3.947 -3.769 1.00 52.24 H new ATOM 0 HG22 ILE A 86 8.586 -3.972 -2.533 1.00 52.24 H new ATOM 0 HG23 ILE A 86 8.161 -3.786 -4.252 1.00 52.24 H new ATOM 0 HD11 ILE A 86 11.160 -1.373 -5.992 1.00 64.20 H new ATOM 0 HD12 ILE A 86 11.590 -1.589 -4.279 1.00 64.20 H new ATOM 0 HD13 ILE A 86 10.877 -2.938 -5.195 1.00 64.20 H new ATOM 1425 N PRO A 87 6.341 -2.845 -1.446 1.00 44.51 N ATOM 1426 CA PRO A 87 5.895 -3.397 -0.163 1.00 44.54 C ATOM 1427 C PRO A 87 6.964 -4.259 0.499 1.00 31.42 C ATOM 1428 O PRO A 87 7.932 -4.670 -0.142 1.00 52.21 O ATOM 1429 CB PRO A 87 4.682 -4.248 -0.546 1.00 42.22 C ATOM 1430 CG PRO A 87 4.912 -4.615 -1.971 1.00 72.35 C ATOM 1431 CD PRO A 87 5.636 -3.451 -2.588 1.00 2.31 C ATOM 0 HA PRO A 87 5.672 -2.615 0.563 1.00 44.54 H new ATOM 0 HB2 PRO A 87 4.605 -5.134 0.084 1.00 42.22 H new ATOM 0 HB3 PRO A 87 3.753 -3.690 -0.426 1.00 42.22 H new ATOM 0 HG2 PRO A 87 5.503 -5.527 -2.048 1.00 72.35 H new ATOM 0 HG3 PRO A 87 3.968 -4.803 -2.483 1.00 72.35 H new ATOM 0 HD2 PRO A 87 6.330 -3.775 -3.363 1.00 2.31 H new ATOM 0 HD3 PRO A 87 4.945 -2.748 -3.053 1.00 2.31 H new ATOM 1439 N THR A 88 6.783 -4.532 1.788 1.00 75.53 N ATOM 1440 CA THR A 88 7.731 -5.346 2.537 1.00 22.14 C ATOM 1441 C THR A 88 7.290 -6.804 2.582 1.00 32.51 C ATOM 1442 O THR A 88 6.171 -7.137 2.191 1.00 60.34 O ATOM 1443 CB THR A 88 7.900 -4.828 3.978 1.00 33.23 C ATOM 1444 OG1 THR A 88 7.202 -3.588 4.138 1.00 74.21 O ATOM 1445 CG2 THR A 88 9.371 -4.635 4.315 1.00 15.12 C ATOM 0 H THR A 88 5.988 -4.201 2.334 1.00 75.53 H new ATOM 0 HA THR A 88 8.687 -5.275 2.018 1.00 22.14 H new ATOM 0 HB THR A 88 7.482 -5.570 4.658 1.00 33.23 H new ATOM 0 HG1 THR A 88 7.313 -3.266 5.057 1.00 74.21 H new ATOM 0 HG21 THR A 88 9.465 -4.269 5.337 1.00 15.12 H new ATOM 0 HG22 THR A 88 9.894 -5.587 4.221 1.00 15.12 H new ATOM 0 HG23 THR A 88 9.810 -3.911 3.628 1.00 15.12 H new ATOM 1453 N VAL A 89 8.175 -7.672 3.063 1.00 44.45 N ATOM 1454 CA VAL A 89 7.876 -9.095 3.160 1.00 30.22 C ATOM 1455 C VAL A 89 6.609 -9.336 3.973 1.00 54.24 C ATOM 1456 O VAL A 89 5.675 -9.987 3.505 1.00 11.24 O ATOM 1457 CB VAL A 89 9.040 -9.871 3.804 1.00 4.34 C ATOM 1458 CG1 VAL A 89 8.704 -11.351 3.908 1.00 41.51 C ATOM 1459 CG2 VAL A 89 10.322 -9.661 3.013 1.00 63.05 C ATOM 0 H VAL A 89 9.105 -7.414 3.392 1.00 44.45 H new ATOM 0 HA VAL A 89 7.727 -9.457 2.143 1.00 30.22 H new ATOM 0 HB VAL A 89 9.195 -9.487 4.812 1.00 4.34 H new ATOM 0 HG11 VAL A 89 9.539 -11.882 4.365 1.00 41.51 H new ATOM 0 HG12 VAL A 89 7.812 -11.479 4.521 1.00 41.51 H new ATOM 0 HG13 VAL A 89 8.520 -11.753 2.912 1.00 41.51 H new ATOM 0 HG21 VAL A 89 11.134 -10.216 3.482 1.00 63.05 H new ATOM 0 HG22 VAL A 89 10.182 -10.016 1.992 1.00 63.05 H new ATOM 0 HG23 VAL A 89 10.570 -8.600 2.997 1.00 63.05 H new ATOM 1469 N GLU A 90 6.584 -8.805 5.191 1.00 33.13 N ATOM 1470 CA GLU A 90 5.430 -8.963 6.069 1.00 10.00 C ATOM 1471 C GLU A 90 4.144 -8.552 5.357 1.00 4.41 C ATOM 1472 O GLU A 90 3.163 -9.294 5.350 1.00 50.15 O ATOM 1473 CB GLU A 90 5.611 -8.131 7.340 1.00 13.23 C ATOM 1474 CG GLU A 90 6.463 -8.812 8.398 1.00 60.13 C ATOM 1475 CD GLU A 90 6.777 -7.902 9.569 1.00 30.02 C ATOM 1476 OE1 GLU A 90 5.932 -7.042 9.895 1.00 35.40 O ATOM 1477 OE2 GLU A 90 7.867 -8.049 10.160 1.00 43.12 O ATOM 0 H GLU A 90 7.349 -8.262 5.592 1.00 33.13 H new ATOM 0 HA GLU A 90 5.354 -10.016 6.341 1.00 10.00 H new ATOM 0 HB2 GLU A 90 6.067 -7.177 7.077 1.00 13.23 H new ATOM 0 HB3 GLU A 90 4.631 -7.910 7.762 1.00 13.23 H new ATOM 0 HG2 GLU A 90 5.944 -9.699 8.761 1.00 60.13 H new ATOM 0 HG3 GLU A 90 7.395 -9.151 7.946 1.00 60.13 H new ATOM 1484 N GLN A 91 4.159 -7.364 4.761 1.00 3.31 N ATOM 1485 CA GLN A 91 2.995 -6.853 4.048 1.00 54.12 C ATOM 1486 C GLN A 91 2.573 -7.811 2.938 1.00 14.53 C ATOM 1487 O GLN A 91 1.387 -8.094 2.768 1.00 51.25 O ATOM 1488 CB GLN A 91 3.295 -5.473 3.460 1.00 71.11 C ATOM 1489 CG GLN A 91 3.929 -4.513 4.454 1.00 73.22 C ATOM 1490 CD GLN A 91 3.187 -4.468 5.775 1.00 3.23 C ATOM 1491 OE1 GLN A 91 1.956 -4.461 5.810 1.00 45.01 O ATOM 1492 NE2 GLN A 91 3.934 -4.437 6.873 1.00 43.53 N ATOM 0 H GLN A 91 4.964 -6.738 4.758 1.00 3.31 H new ATOM 0 HA GLN A 91 2.174 -6.766 4.760 1.00 54.12 H new ATOM 0 HB2 GLN A 91 3.960 -5.589 2.604 1.00 71.11 H new ATOM 0 HB3 GLN A 91 2.368 -5.037 3.087 1.00 71.11 H new ATOM 0 HG2 GLN A 91 4.963 -4.810 4.632 1.00 73.22 H new ATOM 0 HG3 GLN A 91 3.955 -3.513 4.022 1.00 73.22 H new ATOM 0 HE21 GLN A 91 4.951 -4.444 6.798 1.00 43.53 H new ATOM 0 HE22 GLN A 91 3.490 -4.406 7.791 1.00 43.53 H new ATOM 1501 N TRP A 92 3.550 -8.305 2.187 1.00 11.03 N ATOM 1502 CA TRP A 92 3.279 -9.231 1.093 1.00 2.14 C ATOM 1503 C TRP A 92 2.635 -10.512 1.611 1.00 22.14 C ATOM 1504 O TRP A 92 1.687 -11.026 1.018 1.00 32.30 O ATOM 1505 CB TRP A 92 4.572 -9.561 0.346 1.00 60.41 C ATOM 1506 CG TRP A 92 4.355 -10.412 -0.869 1.00 30.11 C ATOM 1507 CD1 TRP A 92 3.494 -10.164 -1.900 1.00 20.43 C ATOM 1508 CD2 TRP A 92 5.009 -11.648 -1.178 1.00 13.14 C ATOM 1509 NE1 TRP A 92 3.573 -11.172 -2.831 1.00 2.13 N ATOM 1510 CE2 TRP A 92 4.496 -12.094 -2.412 1.00 12.45 C ATOM 1511 CE3 TRP A 92 5.979 -12.420 -0.533 1.00 73.21 C ATOM 1512 CZ2 TRP A 92 4.921 -13.277 -3.010 1.00 55.31 C ATOM 1513 CZ3 TRP A 92 6.399 -13.594 -1.128 1.00 71.34 C ATOM 1514 CH2 TRP A 92 5.871 -14.013 -2.357 1.00 21.11 C ATOM 0 H TRP A 92 4.537 -8.080 2.315 1.00 11.03 H new ATOM 0 HA TRP A 92 2.583 -8.750 0.406 1.00 2.14 H new ATOM 0 HB2 TRP A 92 5.058 -8.632 0.048 1.00 60.41 H new ATOM 0 HB3 TRP A 92 5.254 -10.075 1.024 1.00 60.41 H new ATOM 0 HD1 TRP A 92 2.847 -9.303 -1.973 1.00 20.43 H new ATOM 0 HE1 TRP A 92 3.032 -11.225 -3.694 1.00 2.13 H new ATOM 0 HE3 TRP A 92 6.393 -12.105 0.413 1.00 73.21 H new ATOM 0 HZ2 TRP A 92 4.515 -13.602 -3.956 1.00 55.31 H new ATOM 0 HZ3 TRP A 92 7.147 -14.199 -0.638 1.00 71.34 H new ATOM 0 HH2 TRP A 92 6.221 -14.935 -2.797 1.00 21.11 H new ATOM 1525 N LYS A 93 3.156 -11.024 2.722 1.00 54.33 N ATOM 1526 CA LYS A 93 2.631 -12.245 3.321 1.00 15.33 C ATOM 1527 C LYS A 93 1.168 -12.071 3.717 1.00 12.03 C ATOM 1528 O LYS A 93 0.311 -12.866 3.330 1.00 24.20 O ATOM 1529 CB LYS A 93 3.459 -12.632 4.548 1.00 24.20 C ATOM 1530 CG LYS A 93 4.937 -12.816 4.250 1.00 24.30 C ATOM 1531 CD LYS A 93 5.273 -14.272 3.974 1.00 64.23 C ATOM 1532 CE LYS A 93 5.178 -14.595 2.490 1.00 15.44 C ATOM 1533 NZ LYS A 93 4.711 -15.989 2.255 1.00 65.22 N ATOM 0 H LYS A 93 3.942 -10.612 3.225 1.00 54.33 H new ATOM 0 HA LYS A 93 2.697 -13.041 2.579 1.00 15.33 H new ATOM 0 HB2 LYS A 93 3.344 -11.862 5.311 1.00 24.20 H new ATOM 0 HB3 LYS A 93 3.063 -13.558 4.966 1.00 24.20 H new ATOM 0 HG2 LYS A 93 5.214 -12.208 3.389 1.00 24.30 H new ATOM 0 HG3 LYS A 93 5.527 -12.459 5.095 1.00 24.30 H new ATOM 0 HD2 LYS A 93 6.280 -14.488 4.331 1.00 64.23 H new ATOM 0 HD3 LYS A 93 4.593 -14.915 4.532 1.00 64.23 H new ATOM 0 HE2 LYS A 93 4.493 -13.897 2.009 1.00 15.44 H new ATOM 0 HE3 LYS A 93 6.154 -14.456 2.025 1.00 15.44 H new ATOM 0 HZ1 LYS A 93 4.660 -16.170 1.232 1.00 65.22 H new ATOM 0 HZ2 LYS A 93 5.378 -16.657 2.692 1.00 65.22 H new ATOM 0 HZ3 LYS A 93 3.769 -16.115 2.677 1.00 65.22 H new ATOM 1547 N ASP A 94 0.889 -11.027 4.489 1.00 13.52 N ATOM 1548 CA ASP A 94 -0.471 -10.747 4.935 1.00 33.13 C ATOM 1549 C ASP A 94 -1.399 -10.524 3.745 1.00 64.12 C ATOM 1550 O ASP A 94 -2.557 -10.941 3.762 1.00 5.41 O ATOM 1551 CB ASP A 94 -0.489 -9.520 5.849 1.00 74.35 C ATOM 1552 CG ASP A 94 -1.897 -9.088 6.209 1.00 1.14 C ATOM 1553 OD1 ASP A 94 -2.613 -9.879 6.858 1.00 31.22 O ATOM 1554 OD2 ASP A 94 -2.282 -7.958 5.844 1.00 40.23 O ATOM 0 H ASP A 94 1.587 -10.360 4.819 1.00 13.52 H new ATOM 0 HA ASP A 94 -0.828 -11.612 5.494 1.00 33.13 H new ATOM 0 HB2 ASP A 94 0.065 -9.742 6.761 1.00 74.35 H new ATOM 0 HB3 ASP A 94 0.026 -8.696 5.356 1.00 74.35 H new ATOM 1559 N GLN A 95 -0.881 -9.864 2.714 1.00 53.23 N ATOM 1560 CA GLN A 95 -1.664 -9.584 1.516 1.00 73.21 C ATOM 1561 C GLN A 95 -2.120 -10.878 0.849 1.00 15.14 C ATOM 1562 O GLN A 95 -3.308 -11.068 0.584 1.00 11.42 O ATOM 1563 CB GLN A 95 -0.846 -8.749 0.529 1.00 22.44 C ATOM 1564 CG GLN A 95 -0.903 -7.255 0.803 1.00 24.23 C ATOM 1565 CD GLN A 95 -1.118 -6.439 -0.456 1.00 1.22 C ATOM 1566 OE1 GLN A 95 -2.133 -6.583 -1.137 1.00 15.00 O ATOM 1567 NE2 GLN A 95 -0.161 -5.575 -0.772 1.00 44.42 N ATOM 0 H GLN A 95 0.076 -9.514 2.684 1.00 53.23 H new ATOM 0 HA GLN A 95 -2.547 -9.019 1.814 1.00 73.21 H new ATOM 0 HB2 GLN A 95 0.193 -9.077 0.563 1.00 22.44 H new ATOM 0 HB3 GLN A 95 -1.208 -8.939 -0.482 1.00 22.44 H new ATOM 0 HG2 GLN A 95 -1.709 -7.049 1.507 1.00 24.23 H new ATOM 0 HG3 GLN A 95 0.025 -6.941 1.281 1.00 24.23 H new ATOM 0 HE21 GLN A 95 0.664 -5.488 -0.179 1.00 44.42 H new ATOM 0 HE22 GLN A 95 -0.251 -4.998 -1.608 1.00 44.42 H new ATOM 1576 N THR A 96 -1.169 -11.767 0.580 1.00 11.40 N ATOM 1577 CA THR A 96 -1.473 -13.042 -0.057 1.00 4.21 C ATOM 1578 C THR A 96 -2.407 -13.880 0.808 1.00 23.02 C ATOM 1579 O THR A 96 -3.355 -14.485 0.308 1.00 30.31 O ATOM 1580 CB THR A 96 -0.191 -13.848 -0.339 1.00 23.23 C ATOM 1581 OG1 THR A 96 0.846 -13.453 0.567 1.00 53.12 O ATOM 1582 CG2 THR A 96 0.275 -13.641 -1.772 1.00 11.00 C ATOM 0 H THR A 96 -0.181 -11.627 0.794 1.00 11.40 H new ATOM 0 HA THR A 96 -1.965 -12.814 -1.002 1.00 4.21 H new ATOM 0 HB THR A 96 -0.415 -14.905 -0.196 1.00 23.23 H new ATOM 0 HG1 THR A 96 1.220 -12.593 0.281 1.00 53.12 H new ATOM 0 HG21 THR A 96 1.182 -14.220 -1.947 1.00 11.00 H new ATOM 0 HG22 THR A 96 -0.504 -13.970 -2.459 1.00 11.00 H new ATOM 0 HG23 THR A 96 0.482 -12.584 -1.938 1.00 11.00 H new ATOM 1941 N PHE B -7 8.954 -16.566 5.072 1.00 5.12 N ATOM 1942 CA PHE B -7 10.333 -16.371 4.639 1.00 61.04 C ATOM 1943 C PHE B -7 11.204 -15.886 5.794 1.00 35.54 C ATOM 1944 O PHE B -7 11.997 -16.647 6.349 1.00 65.34 O ATOM 1945 CB PHE B -7 10.390 -15.366 3.486 1.00 23.21 C ATOM 1946 CG PHE B -7 9.764 -15.872 2.218 1.00 64.20 C ATOM 1947 CD1 PHE B -7 8.395 -15.792 2.026 1.00 34.31 C ATOM 1948 CD2 PHE B -7 10.546 -16.428 1.218 1.00 71.30 C ATOM 1949 CE1 PHE B -7 7.815 -16.257 0.860 1.00 3.31 C ATOM 1950 CE2 PHE B -7 9.972 -16.894 0.050 1.00 44.11 C ATOM 1951 CZ PHE B -7 8.605 -16.809 -0.129 1.00 24.12 C ATOM 0 H1 PHE B -7 8.311 -16.377 4.277 1.00 5.12 H new ATOM 0 H2 PHE B -7 8.827 -17.546 5.395 1.00 5.12 H new ATOM 0 H3 PHE B -7 8.740 -15.914 5.853 1.00 5.12 H new ATOM 0 HA PHE B -7 10.718 -17.331 4.296 1.00 61.04 H new ATOM 0 HB2 PHE B -7 9.886 -14.448 3.789 1.00 23.21 H new ATOM 0 HB3 PHE B -7 11.431 -15.108 3.290 1.00 23.21 H new ATOM 0 HD1 PHE B -7 7.773 -15.361 2.796 1.00 34.31 H new ATOM 0 HD2 PHE B -7 11.615 -16.498 1.353 1.00 71.30 H new ATOM 0 HE1 PHE B -7 6.746 -16.189 0.723 1.00 3.31 H new ATOM 0 HE2 PHE B -7 10.592 -17.324 -0.722 1.00 44.11 H new ATOM 0 HZ PHE B -7 8.155 -17.174 -1.041 1.00 24.12 H new ATOM 1961 N ILE B -6 11.048 -14.616 6.152 1.00 65.14 N ATOM 1962 CA ILE B -6 11.819 -14.030 7.241 1.00 23.01 C ATOM 1963 C ILE B -6 13.314 -14.249 7.037 1.00 64.22 C ATOM 1964 O ILE B -6 13.936 -15.099 7.676 1.00 54.50 O ATOM 1965 CB ILE B -6 11.407 -14.619 8.603 1.00 31.10 C ATOM 1966 CG1 ILE B -6 9.883 -14.616 8.744 1.00 4.14 C ATOM 1967 CG2 ILE B -6 12.051 -13.835 9.736 1.00 1.23 C ATOM 1968 CD1 ILE B -6 9.264 -13.245 8.582 1.00 63.33 C ATOM 0 H ILE B -6 10.395 -13.973 5.704 1.00 65.14 H new ATOM 0 HA ILE B -6 11.607 -12.961 7.237 1.00 23.01 H new ATOM 0 HB ILE B -6 11.756 -15.650 8.657 1.00 31.10 H new ATOM 0 HG12 ILE B -6 9.456 -15.289 8.000 1.00 4.14 H new ATOM 0 HG13 ILE B -6 9.616 -15.013 9.723 1.00 4.14 H new ATOM 0 HG21 ILE B -6 11.750 -14.264 10.692 1.00 1.23 H new ATOM 0 HG22 ILE B -6 13.136 -13.884 9.642 1.00 1.23 H new ATOM 0 HG23 ILE B -6 11.729 -12.795 9.687 1.00 1.23 H new ATOM 0 HD11 ILE B -6 8.182 -13.319 8.694 1.00 63.33 H new ATOM 0 HD12 ILE B -6 9.663 -12.574 9.342 1.00 63.33 H new ATOM 0 HD13 ILE B -6 9.500 -12.854 7.592 1.00 63.33 H new ATOM 1980 N PRO B -5 13.908 -13.465 6.125 1.00 4.55 N ATOM 1981 CA PRO B -5 15.339 -13.552 5.817 1.00 32.22 C ATOM 1982 C PRO B -5 16.211 -13.049 6.962 1.00 14.25 C ATOM 1983 O PRO B -5 16.717 -11.927 6.923 1.00 31.53 O ATOM 1984 CB PRO B -5 15.493 -12.649 4.591 1.00 63.32 C ATOM 1985 CG PRO B -5 14.366 -11.680 4.689 1.00 21.34 C ATOM 1986 CD PRO B -5 13.229 -12.431 5.326 1.00 3.23 C ATOM 0 HA PRO B -5 15.658 -14.581 5.649 1.00 32.22 H new ATOM 0 HB2 PRO B -5 16.456 -12.138 4.594 1.00 63.32 H new ATOM 0 HB3 PRO B -5 15.441 -13.224 3.667 1.00 63.32 H new ATOM 0 HG2 PRO B -5 14.647 -10.814 5.289 1.00 21.34 H new ATOM 0 HG3 PRO B -5 14.085 -11.308 3.704 1.00 21.34 H new ATOM 0 HD2 PRO B -5 12.616 -11.780 5.949 1.00 3.23 H new ATOM 0 HD3 PRO B -5 12.569 -12.870 4.578 1.00 3.23 H new ATOM 1994 N SER B -4 16.382 -13.885 7.981 1.00 10.04 N ATOM 1995 CA SER B -4 17.190 -13.523 9.140 1.00 43.12 C ATOM 1996 C SER B -4 18.675 -13.726 8.851 1.00 34.55 C ATOM 1997 O SER B -4 19.525 -13.469 9.704 1.00 52.43 O ATOM 1998 CB SER B -4 16.777 -14.353 10.356 1.00 31.34 C ATOM 1999 OG SER B -4 17.718 -14.221 11.408 1.00 54.31 O ATOM 0 H SER B -4 15.972 -14.818 8.028 1.00 10.04 H new ATOM 0 HA SER B -4 17.020 -12.468 9.355 1.00 43.12 H new ATOM 0 HB2 SER B -4 15.794 -14.033 10.701 1.00 31.34 H new ATOM 0 HB3 SER B -4 16.690 -15.402 10.072 1.00 31.34 H new ATOM 0 HG SER B -4 18.452 -13.639 11.119 1.00 54.31 H new ATOM 2005 N ARG B -3 18.978 -14.191 7.644 1.00 60.11 N ATOM 2006 CA ARG B -3 20.359 -14.431 7.242 1.00 31.03 C ATOM 2007 C ARG B -3 21.236 -13.224 7.562 1.00 14.30 C ATOM 2008 O ARG B -3 20.751 -12.110 7.765 1.00 63.13 O ATOM 2009 CB ARG B -3 20.430 -14.745 5.747 1.00 43.12 C ATOM 2010 CG ARG B -3 20.152 -16.202 5.416 1.00 31.13 C ATOM 2011 CD ARG B -3 21.252 -17.112 5.941 1.00 74.23 C ATOM 2012 NE ARG B -3 21.002 -18.514 5.617 1.00 23.32 N ATOM 2013 CZ ARG B -3 21.564 -19.529 6.265 1.00 72.10 C ATOM 2014 NH1 ARG B -3 22.402 -19.298 7.266 1.00 33.32 N ATOM 2015 NH2 ARG B -3 21.287 -20.778 5.912 1.00 50.22 N ATOM 0 H ARG B -3 18.286 -14.409 6.927 1.00 60.11 H new ATOM 0 HA ARG B -3 20.731 -15.288 7.804 1.00 31.03 H new ATOM 0 HB2 ARG B -3 19.712 -14.118 5.218 1.00 43.12 H new ATOM 0 HB3 ARG B -3 21.420 -14.479 5.375 1.00 43.12 H new ATOM 0 HG2 ARG B -3 19.196 -16.498 5.848 1.00 31.13 H new ATOM 0 HG3 ARG B -3 20.065 -16.321 4.336 1.00 31.13 H new ATOM 0 HD2 ARG B -3 22.209 -16.807 5.517 1.00 74.23 H new ATOM 0 HD3 ARG B -3 21.332 -16.998 7.022 1.00 74.23 H new ATOM 0 HE ARG B -3 20.361 -18.726 4.852 1.00 23.32 H new ATOM 0 HH11 ARG B -3 22.617 -18.339 7.540 1.00 33.32 H new ATOM 0 HH12 ARG B -3 22.832 -20.079 7.762 1.00 33.32 H new ATOM 0 HH21 ARG B -3 20.642 -20.960 5.143 1.00 50.22 H new ATOM 0 HH22 ARG B -3 21.719 -21.556 6.410 1.00 50.22 H new ATOM 2029 N PRO B -2 22.557 -13.448 7.609 1.00 2.21 N ATOM 2030 CA PRO B -2 23.529 -12.391 7.904 1.00 43.23 C ATOM 2031 C PRO B -2 23.643 -11.376 6.772 1.00 53.44 C ATOM 2032 O PRO B -2 24.002 -10.220 6.995 1.00 12.02 O ATOM 2033 CB PRO B -2 24.845 -13.155 8.070 1.00 30.22 C ATOM 2034 CG PRO B -2 24.663 -14.400 7.273 1.00 61.42 C ATOM 2035 CD PRO B -2 23.204 -14.750 7.378 1.00 64.11 C ATOM 0 HA PRO B -2 23.244 -11.809 8.781 1.00 43.23 H new ATOM 0 HB2 PRO B -2 25.690 -12.571 7.705 1.00 30.22 H new ATOM 0 HB3 PRO B -2 25.042 -13.381 9.118 1.00 30.22 H new ATOM 0 HG2 PRO B -2 24.953 -14.244 6.234 1.00 61.42 H new ATOM 0 HG3 PRO B -2 25.286 -15.206 7.660 1.00 61.42 H new ATOM 0 HD2 PRO B -2 22.838 -15.225 6.468 1.00 64.11 H new ATOM 0 HD3 PRO B -2 23.015 -15.444 8.197 1.00 64.11 H new ATOM 2043 N ALA B -1 23.334 -11.815 5.556 1.00 54.21 N ATOM 2044 CA ALA B -1 23.399 -10.943 4.389 1.00 34.34 C ATOM 2045 C ALA B -1 24.830 -10.490 4.122 1.00 72.35 C ATOM 2046 O ALA B -1 25.262 -9.426 4.563 1.00 44.50 O ATOM 2047 CB ALA B -1 22.488 -9.739 4.579 1.00 5.21 C ATOM 0 H ALA B -1 23.036 -12.769 5.353 1.00 54.21 H new ATOM 0 HA ALA B -1 23.058 -11.510 3.523 1.00 34.34 H new ATOM 0 HB1 ALA B -1 22.546 -9.096 3.700 1.00 5.21 H new ATOM 0 HB2 ALA B -1 21.461 -10.078 4.713 1.00 5.21 H new ATOM 0 HB3 ALA B -1 22.804 -9.179 5.459 1.00 5.21 H new ATOM 2053 N PRO B 0 25.584 -11.317 3.382 1.00 42.54 N ATOM 2054 CA PRO B 0 26.979 -11.021 3.039 1.00 75.53 C ATOM 2055 C PRO B 0 27.101 -9.867 2.050 1.00 15.44 C ATOM 2056 O PRO B 0 26.153 -9.548 1.331 1.00 22.23 O ATOM 2057 CB PRO B 0 27.471 -12.324 2.403 1.00 54.14 C ATOM 2058 CG PRO B 0 26.240 -12.976 1.875 1.00 73.33 C ATOM 2059 CD PRO B 0 25.134 -12.602 2.822 1.00 32.14 C ATOM 0 HA PRO B 0 27.556 -10.710 3.910 1.00 75.53 H new ATOM 0 HB2 PRO B 0 28.189 -12.129 1.606 1.00 54.14 H new ATOM 0 HB3 PRO B 0 27.972 -12.958 3.135 1.00 54.14 H new ATOM 0 HG2 PRO B 0 26.020 -12.634 0.864 1.00 73.33 H new ATOM 0 HG3 PRO B 0 26.362 -14.058 1.826 1.00 73.33 H new ATOM 0 HD2 PRO B 0 24.179 -12.503 2.306 1.00 32.14 H new ATOM 0 HD3 PRO B 0 24.999 -13.354 3.599 1.00 32.14 H new ATOM 2067 N LYS B 1 28.273 -9.242 2.019 1.00 31.12 N ATOM 2068 CA LYS B 1 28.521 -8.123 1.118 1.00 75.12 C ATOM 2069 C LYS B 1 29.138 -8.605 -0.191 1.00 23.01 C ATOM 2070 O LYS B 1 29.694 -9.700 -0.277 1.00 22.24 O ATOM 2071 CB LYS B 1 29.444 -7.100 1.783 1.00 14.15 C ATOM 2072 CG LYS B 1 28.704 -6.055 2.602 1.00 62.53 C ATOM 2073 CD LYS B 1 28.347 -6.579 3.983 1.00 63.13 C ATOM 2074 CE LYS B 1 29.485 -6.369 4.970 1.00 42.32 C ATOM 2075 NZ LYS B 1 30.459 -7.495 4.941 1.00 5.43 N ATOM 0 H LYS B 1 29.067 -9.492 2.608 1.00 31.12 H new ATOM 0 HA LYS B 1 27.565 -7.649 0.896 1.00 75.12 H new ATOM 0 HB2 LYS B 1 30.148 -7.624 2.429 1.00 14.15 H new ATOM 0 HB3 LYS B 1 30.031 -6.598 1.014 1.00 14.15 H new ATOM 0 HG2 LYS B 1 29.322 -5.163 2.699 1.00 62.53 H new ATOM 0 HG3 LYS B 1 27.795 -5.758 2.079 1.00 62.53 H new ATOM 0 HD2 LYS B 1 27.452 -6.073 4.345 1.00 63.13 H new ATOM 0 HD3 LYS B 1 28.110 -7.641 3.920 1.00 63.13 H new ATOM 0 HE2 LYS B 1 30.000 -5.437 4.737 1.00 42.32 H new ATOM 0 HE3 LYS B 1 29.079 -6.266 5.976 1.00 42.32 H new ATOM 0 HZ1 LYS B 1 30.789 -7.694 5.907 1.00 5.43 H new ATOM 0 HZ2 LYS B 1 29.999 -8.342 4.551 1.00 5.43 H new ATOM 0 HZ3 LYS B 1 31.271 -7.237 4.345 1.00 5.43 H new ATOM 2089 N PRO B 2 29.041 -7.769 -1.235 1.00 63.03 N ATOM 2090 CA PRO B 2 29.587 -8.088 -2.558 1.00 32.00 C ATOM 2091 C PRO B 2 31.112 -8.085 -2.572 1.00 74.52 C ATOM 2092 O PRO B 2 31.764 -7.622 -1.637 1.00 3.21 O ATOM 2093 CB PRO B 2 29.042 -6.967 -3.446 1.00 51.23 C ATOM 2094 CG PRO B 2 28.798 -5.830 -2.515 1.00 21.13 C ATOM 2095 CD PRO B 2 28.392 -6.448 -1.205 1.00 41.42 C ATOM 0 HA PRO B 2 29.302 -9.087 -2.886 1.00 32.00 H new ATOM 0 HB2 PRO B 2 29.756 -6.696 -4.224 1.00 51.23 H new ATOM 0 HB3 PRO B 2 28.124 -7.271 -3.948 1.00 51.23 H new ATOM 0 HG2 PRO B 2 29.695 -5.222 -2.398 1.00 21.13 H new ATOM 0 HG3 PRO B 2 28.015 -5.174 -2.896 1.00 21.13 H new ATOM 0 HD2 PRO B 2 28.732 -5.853 -0.358 1.00 41.42 H new ATOM 0 HD3 PRO B 2 27.309 -6.534 -1.120 1.00 41.42 H new ATOM 2103 N PRO B 3 31.695 -8.615 -3.658 1.00 11.21 N ATOM 2104 CA PRO B 3 33.150 -8.684 -3.820 1.00 62.11 C ATOM 2105 C PRO B 3 33.776 -7.310 -4.033 1.00 51.12 C ATOM 2106 O PRO B 3 33.453 -6.613 -4.995 1.00 41.11 O ATOM 2107 CB PRO B 3 33.327 -9.552 -5.069 1.00 10.42 C ATOM 2108 CG PRO B 3 32.063 -9.373 -5.836 1.00 54.02 C ATOM 2109 CD PRO B 3 30.979 -9.186 -4.811 1.00 12.31 C ATOM 0 HA PRO B 3 33.640 -9.085 -2.933 1.00 62.11 H new ATOM 0 HB2 PRO B 3 34.192 -9.236 -5.652 1.00 10.42 H new ATOM 0 HB3 PRO B 3 33.486 -10.598 -4.805 1.00 10.42 H new ATOM 0 HG2 PRO B 3 32.127 -8.509 -6.498 1.00 54.02 H new ATOM 0 HG3 PRO B 3 31.861 -10.241 -6.463 1.00 54.02 H new ATOM 0 HD2 PRO B 3 30.197 -8.517 -5.170 1.00 12.31 H new ATOM 0 HD3 PRO B 3 30.498 -10.131 -4.558 1.00 12.31 H new