USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 912 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 MET CE :methyl 146:sc= -3.23! (180deg=-5.79!) USER MOD Set 1.2: A 91 CYS SG : rot 180:sc= -1.21 USER MOD Set 2.1: A 50 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 41 THR OG1 : rot -57:sc= 0.0179 USER MOD Set 3.2: A 68 HIS : no HD1:sc= -2.04! K(o=-2!,f=-0.21) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -162:sc= 1.32 USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= 1.26 (180deg=0.762) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.144 (180deg=-0.648) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.44! C(o=-2.4!,f=-5.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 1.88 (180deg=1.76) USER MOD Single : A 38 ASN : amide:sc= -1.3! C(o=-1.3!,f=-1.5!) USER MOD Single : A 43 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.61) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= 0.414 (180deg=-0.839) USER MOD Single : A 51 THR OG1 : rot -20:sc= 0.967 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 77:sc= 0.984 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.58! K(o=-1.6!,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.94! C(o=-3.9!,f=-9.1!) USER MOD Single : A 76 LYS NZ :NH3+ -142:sc= 1.23 (180deg=0.56) USER MOD Single : A 81 CYS SG : rot -25:sc= -1.8! USER MOD Single : A 83 SER OG : rot 27:sc= 0.819 USER MOD Single : A 84 SER OG : rot 72:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.0858 (180deg=-0.459) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.824) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 149:sc= -0.0777 (180deg=-1.25) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -10:sc= 0.466 USER MOD Single : A 109 SER OG : rot 24:sc= 0.201 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 124 SER OG : rot 180:sc= -0.248 USER MOD ----------------------------------------------------------------- ATOM 95 N PHE A 7 15.955 -1.392 0.806 1.00 0.87 N ATOM 96 CA PHE A 7 16.899 -1.627 1.895 1.00 0.77 C ATOM 97 C PHE A 7 18.155 -0.773 1.783 1.00 0.72 C ATOM 98 O PHE A 7 18.485 -0.257 0.716 1.00 0.87 O ATOM 99 CB PHE A 7 17.288 -3.103 1.953 1.00 0.77 C ATOM 100 CG PHE A 7 17.143 -3.827 0.644 1.00 1.61 C ATOM 101 CD1 PHE A 7 18.022 -3.596 -0.403 1.00 2.72 C ATOM 102 CD2 PHE A 7 16.121 -4.743 0.465 1.00 1.82 C ATOM 103 CE1 PHE A 7 17.881 -4.267 -1.603 1.00 3.60 C ATOM 104 CE2 PHE A 7 15.975 -5.415 -0.731 1.00 2.63 C ATOM 105 CZ PHE A 7 16.856 -5.178 -1.767 1.00 3.44 C ATOM 0 HA PHE A 7 16.390 -1.339 2.815 1.00 0.77 H new ATOM 0 HB2 PHE A 7 18.322 -3.182 2.287 1.00 0.77 H new ATOM 0 HB3 PHE A 7 16.672 -3.601 2.702 1.00 0.77 H new ATOM 0 HD1 PHE A 7 18.825 -2.884 -0.280 1.00 2.72 H new ATOM 0 HD2 PHE A 7 15.429 -4.934 1.272 1.00 1.82 H new ATOM 0 HE1 PHE A 7 18.572 -4.079 -2.412 1.00 3.60 H new ATOM 0 HE2 PHE A 7 15.172 -6.126 -0.857 1.00 2.63 H new ATOM 0 HZ PHE A 7 16.744 -5.704 -2.704 1.00 3.44 H new ATOM 115 N GLU A 8 18.839 -0.636 2.910 1.00 0.72 N ATOM 116 CA GLU A 8 20.090 0.098 2.980 1.00 0.76 C ATOM 117 C GLU A 8 21.266 -0.876 3.029 1.00 0.62 C ATOM 118 O GLU A 8 21.126 -2.022 3.467 1.00 0.61 O ATOM 119 CB GLU A 8 20.094 1.003 4.221 1.00 1.01 C ATOM 120 CG GLU A 8 21.398 1.758 4.451 1.00 1.20 C ATOM 121 CD GLU A 8 21.730 2.716 3.329 1.00 1.97 C ATOM 122 OE1 GLU A 8 22.107 2.244 2.235 1.00 2.71 O ATOM 123 OE2 GLU A 8 21.607 3.943 3.533 1.00 2.22 O ATOM 0 H GLU A 8 18.540 -1.032 3.801 1.00 0.72 H new ATOM 0 HA GLU A 8 20.190 0.720 2.091 1.00 0.76 H new ATOM 0 HB2 GLU A 8 19.282 1.725 4.131 1.00 1.01 H new ATOM 0 HB3 GLU A 8 19.882 0.394 5.100 1.00 1.01 H new ATOM 0 HG2 GLU A 8 21.331 2.312 5.387 1.00 1.20 H new ATOM 0 HG3 GLU A 8 22.212 1.042 4.563 1.00 1.20 H new ATOM 130 N LYS A 9 22.418 -0.413 2.574 1.00 0.60 N ATOM 131 CA LYS A 9 23.632 -1.203 2.597 1.00 0.53 C ATOM 132 C LYS A 9 24.476 -0.794 3.793 1.00 0.50 C ATOM 133 O LYS A 9 24.749 0.389 3.993 1.00 0.56 O ATOM 134 CB LYS A 9 24.436 -1.012 1.303 1.00 0.63 C ATOM 135 CG LYS A 9 23.778 -1.593 0.053 1.00 0.72 C ATOM 136 CD LYS A 9 22.557 -0.794 -0.393 1.00 0.95 C ATOM 137 CE LYS A 9 22.926 0.638 -0.762 1.00 1.49 C ATOM 138 NZ LYS A 9 21.755 1.407 -1.262 1.00 1.88 N ATOM 0 H LYS A 9 22.535 0.520 2.179 1.00 0.60 H new ATOM 0 HA LYS A 9 23.362 -2.256 2.677 1.00 0.53 H new ATOM 0 HB2 LYS A 9 24.602 0.054 1.148 1.00 0.63 H new ATOM 0 HB3 LYS A 9 25.416 -1.472 1.429 1.00 0.63 H new ATOM 0 HG2 LYS A 9 24.506 -1.619 -0.758 1.00 0.72 H new ATOM 0 HG3 LYS A 9 23.482 -2.624 0.249 1.00 0.72 H new ATOM 0 HD2 LYS A 9 22.095 -1.283 -1.250 1.00 0.95 H new ATOM 0 HD3 LYS A 9 21.816 -0.785 0.406 1.00 0.95 H new ATOM 0 HE2 LYS A 9 23.343 1.141 0.111 1.00 1.49 H new ATOM 0 HE3 LYS A 9 23.704 0.626 -1.525 1.00 1.49 H new ATOM 0 HZ1 LYS A 9 22.052 2.375 -1.501 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 21.371 0.943 -2.110 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 21.022 1.442 -0.525 1.00 1.88 H new ATOM 152 N VAL A 10 24.877 -1.769 4.592 1.00 0.46 N ATOM 153 CA VAL A 10 25.711 -1.504 5.752 1.00 0.46 C ATOM 154 C VAL A 10 27.149 -1.887 5.439 1.00 0.48 C ATOM 155 O VAL A 10 27.483 -3.074 5.364 1.00 0.54 O ATOM 156 CB VAL A 10 25.229 -2.293 6.994 1.00 0.51 C ATOM 157 CG1 VAL A 10 26.064 -1.940 8.221 1.00 0.54 C ATOM 158 CG2 VAL A 10 23.750 -2.042 7.252 1.00 0.59 C ATOM 0 H VAL A 10 24.638 -2.752 4.458 1.00 0.46 H new ATOM 0 HA VAL A 10 25.643 -0.440 5.980 1.00 0.46 H new ATOM 0 HB VAL A 10 25.362 -3.356 6.793 1.00 0.51 H new ATOM 0 HG11 VAL A 10 25.706 -2.507 9.080 1.00 0.54 H new ATOM 0 HG12 VAL A 10 27.109 -2.187 8.033 1.00 0.54 H new ATOM 0 HG13 VAL A 10 25.975 -0.873 8.427 1.00 0.54 H new ATOM 0 HG21 VAL A 10 23.433 -2.606 8.129 1.00 0.59 H new ATOM 0 HG22 VAL A 10 23.586 -0.978 7.426 1.00 0.59 H new ATOM 0 HG23 VAL A 10 23.170 -2.361 6.386 1.00 0.59 H new ATOM 168 N GLU A 11 27.988 -0.886 5.224 1.00 0.53 N ATOM 169 CA GLU A 11 29.380 -1.128 4.885 1.00 0.63 C ATOM 170 C GLU A 11 30.259 -1.080 6.125 1.00 0.55 C ATOM 171 O GLU A 11 30.040 -0.266 7.022 1.00 0.59 O ATOM 172 CB GLU A 11 29.887 -0.109 3.853 1.00 0.88 C ATOM 173 CG GLU A 11 29.840 1.338 4.319 1.00 1.37 C ATOM 174 CD GLU A 11 28.492 1.988 4.095 1.00 1.72 C ATOM 175 OE1 GLU A 11 27.601 1.841 4.954 1.00 2.16 O ATOM 176 OE2 GLU A 11 28.326 2.660 3.057 1.00 2.02 O ATOM 0 H GLU A 11 27.730 0.099 5.278 1.00 0.53 H new ATOM 0 HA GLU A 11 29.438 -2.125 4.449 1.00 0.63 H new ATOM 0 HB2 GLU A 11 30.915 -0.359 3.589 1.00 0.88 H new ATOM 0 HB3 GLU A 11 29.292 -0.204 2.945 1.00 0.88 H new ATOM 0 HG2 GLU A 11 30.086 1.380 5.380 1.00 1.37 H new ATOM 0 HG3 GLU A 11 30.604 1.909 3.792 1.00 1.37 H new ATOM 183 N LEU A 12 31.238 -1.981 6.172 1.00 0.52 N ATOM 184 CA LEU A 12 32.244 -1.994 7.231 1.00 0.51 C ATOM 185 C LEU A 12 31.605 -2.028 8.614 1.00 0.52 C ATOM 186 O LEU A 12 32.026 -1.307 9.519 1.00 0.61 O ATOM 187 CB LEU A 12 33.171 -0.783 7.102 1.00 0.57 C ATOM 188 CG LEU A 12 34.039 -0.773 5.843 1.00 0.88 C ATOM 189 CD1 LEU A 12 34.889 0.484 5.791 1.00 1.35 C ATOM 190 CD2 LEU A 12 34.920 -2.016 5.792 1.00 1.45 C ATOM 0 H LEU A 12 31.356 -2.720 5.479 1.00 0.52 H new ATOM 0 HA LEU A 12 32.832 -2.905 7.116 1.00 0.51 H new ATOM 0 HB2 LEU A 12 32.566 0.124 7.117 1.00 0.57 H new ATOM 0 HB3 LEU A 12 33.822 -0.746 7.976 1.00 0.57 H new ATOM 0 HG LEU A 12 33.382 -0.780 4.973 1.00 0.88 H new ATOM 0 HD11 LEU A 12 35.500 0.473 4.888 1.00 1.35 H new ATOM 0 HD12 LEU A 12 34.242 1.361 5.781 1.00 1.35 H new ATOM 0 HD13 LEU A 12 35.537 0.522 6.667 1.00 1.35 H new ATOM 0 HD21 LEU A 12 35.531 -1.992 4.890 1.00 1.45 H new ATOM 0 HD22 LEU A 12 35.568 -2.039 6.668 1.00 1.45 H new ATOM 0 HD23 LEU A 12 34.292 -2.907 5.782 1.00 1.45 H new ATOM 202 N THR A 13 30.589 -2.869 8.765 1.00 0.50 N ATOM 203 CA THR A 13 29.938 -3.067 10.050 1.00 0.56 C ATOM 204 C THR A 13 30.956 -3.485 11.118 1.00 0.53 C ATOM 205 O THR A 13 32.012 -4.043 10.800 1.00 0.50 O ATOM 206 CB THR A 13 28.839 -4.144 9.926 1.00 0.68 C ATOM 207 OG1 THR A 13 28.184 -4.351 11.184 1.00 0.78 O ATOM 208 CG2 THR A 13 29.433 -5.454 9.427 1.00 0.69 C ATOM 0 H THR A 13 30.197 -3.427 8.006 1.00 0.50 H new ATOM 0 HA THR A 13 29.486 -2.123 10.353 1.00 0.56 H new ATOM 0 HB THR A 13 28.101 -3.793 9.205 1.00 0.68 H new ATOM 0 HG1 THR A 13 27.704 -5.205 11.166 1.00 0.78 H new ATOM 0 HG21 THR A 13 28.645 -6.203 9.345 1.00 0.69 H new ATOM 0 HG22 THR A 13 29.888 -5.298 8.449 1.00 0.69 H new ATOM 0 HG23 THR A 13 30.191 -5.800 10.129 1.00 0.69 H new ATOM 216 N ALA A 14 30.618 -3.251 12.384 1.00 0.61 N ATOM 217 CA ALA A 14 31.507 -3.570 13.497 1.00 0.66 C ATOM 218 C ALA A 14 31.629 -5.081 13.691 1.00 0.69 C ATOM 219 O ALA A 14 32.335 -5.549 14.581 1.00 0.79 O ATOM 220 CB ALA A 14 31.003 -2.907 14.771 1.00 0.81 C ATOM 0 H ALA A 14 29.728 -2.839 12.665 1.00 0.61 H new ATOM 0 HA ALA A 14 32.500 -3.184 13.265 1.00 0.66 H new ATOM 0 HB1 ALA A 14 31.672 -3.150 15.597 1.00 0.81 H new ATOM 0 HB2 ALA A 14 30.975 -1.826 14.632 1.00 0.81 H new ATOM 0 HB3 ALA A 14 30.000 -3.269 14.998 1.00 0.81 H new ATOM 226 N ASP A 15 30.952 -5.837 12.833 1.00 0.71 N ATOM 227 CA ASP A 15 30.983 -7.295 12.894 1.00 0.85 C ATOM 228 C ASP A 15 32.259 -7.834 12.243 1.00 0.74 C ATOM 229 O ASP A 15 32.457 -9.042 12.156 1.00 0.86 O ATOM 230 CB ASP A 15 29.759 -7.900 12.194 1.00 1.08 C ATOM 231 CG ASP A 15 28.458 -7.193 12.534 1.00 1.69 C ATOM 232 OD1 ASP A 15 28.218 -6.907 13.724 1.00 1.87 O ATOM 233 OD2 ASP A 15 27.684 -6.886 11.595 1.00 2.40 O ATOM 0 H ASP A 15 30.372 -5.462 12.083 1.00 0.71 H new ATOM 0 HA ASP A 15 30.966 -7.582 13.945 1.00 0.85 H new ATOM 0 HB2 ASP A 15 29.912 -7.864 11.115 1.00 1.08 H new ATOM 0 HB3 ASP A 15 29.675 -8.951 12.469 1.00 1.08 H new ATOM 238 N GLY A 16 33.133 -6.928 11.812 1.00 0.64 N ATOM 239 CA GLY A 16 34.383 -7.335 11.189 1.00 0.68 C ATOM 240 C GLY A 16 34.574 -6.775 9.789 1.00 0.57 C ATOM 241 O GLY A 16 35.295 -7.364 8.980 1.00 0.63 O ATOM 0 H GLY A 16 32.999 -5.919 11.883 1.00 0.64 H new ATOM 0 HA2 GLY A 16 35.214 -7.013 11.817 1.00 0.68 H new ATOM 0 HA3 GLY A 16 34.420 -8.423 11.144 1.00 0.68 H new ATOM 245 N GLY A 17 33.931 -5.643 9.507 1.00 0.54 N ATOM 246 CA GLY A 17 34.176 -4.925 8.264 1.00 0.52 C ATOM 247 C GLY A 17 33.734 -5.678 7.019 1.00 0.46 C ATOM 248 O GLY A 17 34.563 -6.110 6.223 1.00 0.61 O ATOM 0 H GLY A 17 33.241 -5.208 10.120 1.00 0.54 H new ATOM 0 HA2 GLY A 17 33.657 -3.967 8.301 1.00 0.52 H new ATOM 0 HA3 GLY A 17 35.241 -4.707 8.186 1.00 0.52 H new ATOM 252 N VAL A 18 32.429 -5.831 6.852 1.00 0.36 N ATOM 253 CA VAL A 18 31.874 -6.469 5.665 1.00 0.34 C ATOM 254 C VAL A 18 30.681 -5.669 5.156 1.00 0.32 C ATOM 255 O VAL A 18 29.952 -5.067 5.945 1.00 0.36 O ATOM 256 CB VAL A 18 31.458 -7.936 5.957 1.00 0.40 C ATOM 257 CG1 VAL A 18 30.480 -8.465 4.917 1.00 0.47 C ATOM 258 CG2 VAL A 18 32.685 -8.829 6.004 1.00 0.49 C ATOM 0 H VAL A 18 31.730 -5.521 7.527 1.00 0.36 H new ATOM 0 HA VAL A 18 32.645 -6.490 4.895 1.00 0.34 H new ATOM 0 HB VAL A 18 30.958 -7.947 6.926 1.00 0.40 H new ATOM 0 HG11 VAL A 18 30.214 -9.494 5.158 1.00 0.47 H new ATOM 0 HG12 VAL A 18 29.581 -7.849 4.916 1.00 0.47 H new ATOM 0 HG13 VAL A 18 30.944 -8.431 3.931 1.00 0.47 H new ATOM 0 HG21 VAL A 18 32.380 -9.855 6.209 1.00 0.49 H new ATOM 0 HG22 VAL A 18 33.201 -8.789 5.045 1.00 0.49 H new ATOM 0 HG23 VAL A 18 33.355 -8.485 6.792 1.00 0.49 H new ATOM 268 N ILE A 19 30.506 -5.641 3.837 1.00 0.31 N ATOM 269 CA ILE A 19 29.388 -4.932 3.232 1.00 0.31 C ATOM 270 C ILE A 19 28.165 -5.842 3.204 1.00 0.30 C ATOM 271 O ILE A 19 28.117 -6.816 2.450 1.00 0.30 O ATOM 272 CB ILE A 19 29.709 -4.485 1.787 1.00 0.34 C ATOM 273 CG1 ILE A 19 31.156 -3.984 1.666 1.00 0.41 C ATOM 274 CG2 ILE A 19 28.735 -3.401 1.335 1.00 0.36 C ATOM 275 CD1 ILE A 19 31.475 -2.781 2.530 1.00 0.47 C ATOM 0 H ILE A 19 31.125 -6.101 3.170 1.00 0.31 H new ATOM 0 HA ILE A 19 29.194 -4.043 3.833 1.00 0.31 H new ATOM 0 HB ILE A 19 29.597 -5.353 1.137 1.00 0.34 H new ATOM 0 HG12 ILE A 19 31.833 -4.796 1.931 1.00 0.41 H new ATOM 0 HG13 ILE A 19 31.354 -3.731 0.624 1.00 0.41 H new ATOM 0 HG21 ILE A 19 28.975 -3.098 0.316 1.00 0.36 H new ATOM 0 HG22 ILE A 19 27.717 -3.790 1.368 1.00 0.36 H new ATOM 0 HG23 ILE A 19 28.816 -2.540 1.998 1.00 0.36 H new ATOM 0 HD11 ILE A 19 32.516 -2.494 2.383 1.00 0.47 H new ATOM 0 HD12 ILE A 19 30.827 -1.950 2.251 1.00 0.47 H new ATOM 0 HD13 ILE A 19 31.312 -3.032 3.578 1.00 0.47 H new ATOM 287 N LYS A 20 27.182 -5.525 4.022 1.00 0.33 N ATOM 288 CA LYS A 20 26.017 -6.378 4.170 1.00 0.37 C ATOM 289 C LYS A 20 24.732 -5.604 3.907 1.00 0.33 C ATOM 290 O LYS A 20 24.516 -4.521 4.452 1.00 0.37 O ATOM 291 CB LYS A 20 26.012 -7.006 5.571 1.00 0.53 C ATOM 292 CG LYS A 20 26.292 -6.010 6.687 1.00 0.59 C ATOM 293 CD LYS A 20 26.679 -6.702 7.989 1.00 0.76 C ATOM 294 CE LYS A 20 25.516 -7.442 8.626 1.00 0.83 C ATOM 295 NZ LYS A 20 25.480 -7.261 10.109 1.00 1.34 N ATOM 0 H LYS A 20 27.165 -4.682 4.596 1.00 0.33 H new ATOM 0 HA LYS A 20 26.069 -7.176 3.429 1.00 0.37 H new ATOM 0 HB2 LYS A 20 25.043 -7.473 5.747 1.00 0.53 H new ATOM 0 HB3 LYS A 20 26.759 -7.799 5.607 1.00 0.53 H new ATOM 0 HG2 LYS A 20 27.095 -5.339 6.381 1.00 0.59 H new ATOM 0 HG3 LYS A 20 25.408 -5.394 6.853 1.00 0.59 H new ATOM 0 HD2 LYS A 20 27.490 -7.405 7.796 1.00 0.76 H new ATOM 0 HD3 LYS A 20 27.061 -5.960 8.691 1.00 0.76 H new ATOM 0 HE2 LYS A 20 24.580 -7.086 8.195 1.00 0.83 H new ATOM 0 HE3 LYS A 20 25.591 -8.504 8.392 1.00 0.83 H new ATOM 0 HZ1 LYS A 20 24.970 -8.057 10.544 1.00 1.34 H new ATOM 0 HZ2 LYS A 20 26.452 -7.229 10.479 1.00 1.34 H new ATOM 0 HZ3 LYS A 20 24.993 -6.371 10.338 1.00 1.34 H new ATOM 309 N THR A 21 23.898 -6.157 3.046 1.00 0.34 N ATOM 310 CA THR A 21 22.631 -5.549 2.698 1.00 0.36 C ATOM 311 C THR A 21 21.505 -6.237 3.453 1.00 0.36 C ATOM 312 O THR A 21 21.243 -7.428 3.251 1.00 0.40 O ATOM 313 CB THR A 21 22.379 -5.651 1.181 1.00 0.44 C ATOM 314 OG1 THR A 21 23.550 -5.220 0.474 1.00 0.49 O ATOM 315 CG2 THR A 21 21.191 -4.797 0.768 1.00 0.50 C ATOM 0 H THR A 21 24.081 -7.040 2.569 1.00 0.34 H new ATOM 0 HA THR A 21 22.664 -4.495 2.976 1.00 0.36 H new ATOM 0 HB THR A 21 22.157 -6.689 0.935 1.00 0.44 H new ATOM 0 HG1 THR A 21 23.392 -5.286 -0.491 1.00 0.49 H new ATOM 0 HG21 THR A 21 21.035 -4.887 -0.307 1.00 0.50 H new ATOM 0 HG22 THR A 21 20.299 -5.136 1.294 1.00 0.50 H new ATOM 0 HG23 THR A 21 21.387 -3.755 1.020 1.00 0.50 H new ATOM 323 N ILE A 22 20.861 -5.493 4.339 1.00 0.40 N ATOM 324 CA ILE A 22 19.779 -6.038 5.133 1.00 0.43 C ATOM 325 C ILE A 22 18.600 -6.388 4.229 1.00 0.44 C ATOM 326 O ILE A 22 18.174 -5.583 3.407 1.00 0.55 O ATOM 327 CB ILE A 22 19.340 -5.061 6.260 1.00 0.56 C ATOM 328 CG1 ILE A 22 18.335 -5.742 7.187 1.00 0.63 C ATOM 329 CG2 ILE A 22 18.762 -3.767 5.691 1.00 0.67 C ATOM 330 CD1 ILE A 22 18.915 -6.927 7.931 1.00 0.66 C ATOM 0 H ILE A 22 21.071 -4.512 4.524 1.00 0.40 H new ATOM 0 HA ILE A 22 20.139 -6.945 5.619 1.00 0.43 H new ATOM 0 HB ILE A 22 20.226 -4.794 6.836 1.00 0.56 H new ATOM 0 HG12 ILE A 22 17.966 -5.014 7.909 1.00 0.63 H new ATOM 0 HG13 ILE A 22 17.478 -6.074 6.601 1.00 0.63 H new ATOM 0 HG21 ILE A 22 18.467 -3.110 6.509 1.00 0.67 H new ATOM 0 HG22 ILE A 22 19.515 -3.270 5.080 1.00 0.67 H new ATOM 0 HG23 ILE A 22 17.891 -3.997 5.077 1.00 0.67 H new ATOM 0 HD11 ILE A 22 18.149 -7.365 8.572 1.00 0.66 H new ATOM 0 HD12 ILE A 22 19.259 -7.673 7.215 1.00 0.66 H new ATOM 0 HD13 ILE A 22 19.755 -6.597 8.543 1.00 0.66 H new ATOM 342 N LEU A 23 18.108 -7.607 4.355 1.00 0.41 N ATOM 343 CA LEU A 23 17.028 -8.074 3.503 1.00 0.47 C ATOM 344 C LEU A 23 15.837 -8.519 4.337 1.00 0.50 C ATOM 345 O LEU A 23 14.866 -7.782 4.498 1.00 0.67 O ATOM 346 CB LEU A 23 17.509 -9.235 2.623 1.00 0.54 C ATOM 347 CG LEU A 23 17.534 -8.967 1.117 1.00 0.53 C ATOM 348 CD1 LEU A 23 16.143 -8.631 0.601 1.00 0.83 C ATOM 349 CD2 LEU A 23 18.511 -7.851 0.797 1.00 0.64 C ATOM 0 H LEU A 23 18.437 -8.290 5.037 1.00 0.41 H new ATOM 0 HA LEU A 23 16.717 -7.247 2.865 1.00 0.47 H new ATOM 0 HB2 LEU A 23 18.514 -9.513 2.940 1.00 0.54 H new ATOM 0 HB3 LEU A 23 16.867 -10.096 2.808 1.00 0.54 H new ATOM 0 HG LEU A 23 17.867 -9.874 0.613 1.00 0.53 H new ATOM 0 HD11 LEU A 23 16.188 -8.445 -0.472 1.00 0.83 H new ATOM 0 HD12 LEU A 23 15.471 -9.467 0.796 1.00 0.83 H new ATOM 0 HD13 LEU A 23 15.772 -7.741 1.108 1.00 0.83 H new ATOM 0 HD21 LEU A 23 18.518 -7.671 -0.278 1.00 0.64 H new ATOM 0 HD22 LEU A 23 18.207 -6.941 1.315 1.00 0.64 H new ATOM 0 HD23 LEU A 23 19.511 -8.138 1.124 1.00 0.64 H new ATOM 361 N LYS A 24 15.941 -9.709 4.895 1.00 0.49 N ATOM 362 CA LYS A 24 14.839 -10.314 5.605 1.00 0.60 C ATOM 363 C LYS A 24 15.269 -10.681 7.016 1.00 0.60 C ATOM 364 O LYS A 24 16.192 -11.475 7.205 1.00 0.76 O ATOM 365 CB LYS A 24 14.367 -11.544 4.822 1.00 0.78 C ATOM 366 CG LYS A 24 13.246 -12.334 5.475 1.00 1.05 C ATOM 367 CD LYS A 24 13.785 -13.485 6.314 1.00 1.11 C ATOM 368 CE LYS A 24 12.673 -14.399 6.784 1.00 1.12 C ATOM 369 NZ LYS A 24 11.901 -14.962 5.645 1.00 1.56 N ATOM 0 H LYS A 24 16.787 -10.278 4.868 1.00 0.49 H new ATOM 0 HA LYS A 24 14.010 -9.612 5.689 1.00 0.60 H new ATOM 0 HB2 LYS A 24 14.036 -11.222 3.835 1.00 0.78 H new ATOM 0 HB3 LYS A 24 15.218 -12.208 4.671 1.00 0.78 H new ATOM 0 HG2 LYS A 24 12.652 -11.671 6.105 1.00 1.05 H new ATOM 0 HG3 LYS A 24 12.580 -12.725 4.706 1.00 1.05 H new ATOM 0 HD2 LYS A 24 14.504 -14.057 5.728 1.00 1.11 H new ATOM 0 HD3 LYS A 24 14.320 -13.088 7.177 1.00 1.11 H new ATOM 0 HE2 LYS A 24 13.096 -15.212 7.373 1.00 1.12 H new ATOM 0 HE3 LYS A 24 12.001 -13.846 7.440 1.00 1.12 H new ATOM 0 HZ1 LYS A 24 11.393 -15.814 5.957 1.00 1.56 H new ATOM 0 HZ2 LYS A 24 11.217 -14.256 5.307 1.00 1.56 H new ATOM 0 HZ3 LYS A 24 12.552 -15.211 4.873 1.00 1.56 H new ATOM 383 N LYS A 25 14.612 -10.095 7.999 1.00 0.61 N ATOM 384 CA LYS A 25 14.939 -10.362 9.388 1.00 0.64 C ATOM 385 C LYS A 25 13.869 -11.219 10.035 1.00 0.72 C ATOM 386 O LYS A 25 12.763 -11.368 9.502 1.00 0.90 O ATOM 387 CB LYS A 25 15.106 -9.066 10.187 1.00 0.76 C ATOM 388 CG LYS A 25 16.273 -8.208 9.731 1.00 1.52 C ATOM 389 CD LYS A 25 16.629 -7.151 10.767 1.00 1.72 C ATOM 390 CE LYS A 25 17.194 -7.778 12.036 1.00 2.60 C ATOM 391 NZ LYS A 25 17.610 -6.752 13.032 1.00 2.95 N ATOM 0 H LYS A 25 13.849 -9.432 7.862 1.00 0.61 H new ATOM 0 HA LYS A 25 15.888 -10.898 9.398 1.00 0.64 H new ATOM 0 HB2 LYS A 25 14.188 -8.483 10.111 1.00 0.76 H new ATOM 0 HB3 LYS A 25 15.240 -9.314 11.240 1.00 0.76 H new ATOM 0 HG2 LYS A 25 17.140 -8.842 9.544 1.00 1.52 H new ATOM 0 HG3 LYS A 25 16.022 -7.724 8.787 1.00 1.52 H new ATOM 0 HD2 LYS A 25 17.359 -6.459 10.346 1.00 1.72 H new ATOM 0 HD3 LYS A 25 15.742 -6.568 11.013 1.00 1.72 H new ATOM 0 HE2 LYS A 25 16.444 -8.432 12.482 1.00 2.60 H new ATOM 0 HE3 LYS A 25 18.050 -8.403 11.781 1.00 2.60 H new ATOM 0 HZ1 LYS A 25 17.988 -7.223 13.879 1.00 2.95 H new ATOM 0 HZ2 LYS A 25 18.345 -6.144 12.617 1.00 2.95 H new ATOM 0 HZ3 LYS A 25 16.788 -6.172 13.296 1.00 2.95 H new ATOM 405 N GLY A 26 14.215 -11.796 11.172 1.00 0.69 N ATOM 406 CA GLY A 26 13.253 -12.522 11.960 1.00 0.85 C ATOM 407 C GLY A 26 12.731 -11.680 13.102 1.00 0.88 C ATOM 408 O GLY A 26 12.249 -10.567 12.887 1.00 1.32 O ATOM 0 H GLY A 26 15.156 -11.772 11.565 1.00 0.69 H new ATOM 0 HA2 GLY A 26 12.423 -12.835 11.327 1.00 0.85 H new ATOM 0 HA3 GLY A 26 13.712 -13.429 12.354 1.00 0.85 H new ATOM 412 N ASP A 27 12.853 -12.195 14.315 1.00 0.84 N ATOM 413 CA ASP A 27 12.405 -11.477 15.505 1.00 1.01 C ATOM 414 C ASP A 27 13.237 -11.876 16.709 1.00 0.93 C ATOM 415 O ASP A 27 14.245 -11.247 17.021 1.00 1.24 O ATOM 416 CB ASP A 27 10.924 -11.746 15.810 1.00 1.33 C ATOM 417 CG ASP A 27 9.972 -10.874 15.017 1.00 2.08 C ATOM 418 OD1 ASP A 27 9.887 -9.662 15.306 1.00 2.38 O ATOM 419 OD2 ASP A 27 9.282 -11.404 14.123 1.00 2.77 O ATOM 0 H ASP A 27 13.260 -13.111 14.505 1.00 0.84 H new ATOM 0 HA ASP A 27 12.530 -10.413 15.302 1.00 1.01 H new ATOM 0 HB2 ASP A 27 10.703 -12.793 15.602 1.00 1.33 H new ATOM 0 HB3 ASP A 27 10.747 -11.589 16.874 1.00 1.33 H new ATOM 424 N GLU A 28 12.824 -12.943 17.370 1.00 0.91 N ATOM 425 CA GLU A 28 13.525 -13.421 18.544 1.00 0.91 C ATOM 426 C GLU A 28 14.503 -14.524 18.169 1.00 0.96 C ATOM 427 O GLU A 28 14.382 -15.155 17.111 1.00 1.22 O ATOM 428 CB GLU A 28 12.529 -13.908 19.600 1.00 1.11 C ATOM 429 CG GLU A 28 11.630 -15.040 19.129 1.00 1.59 C ATOM 430 CD GLU A 28 10.538 -15.360 20.123 1.00 2.09 C ATOM 431 OE1 GLU A 28 10.853 -15.875 21.214 1.00 2.56 O ATOM 432 OE2 GLU A 28 9.358 -15.095 19.817 1.00 2.64 O ATOM 0 H GLU A 28 12.005 -13.494 17.112 1.00 0.91 H new ATOM 0 HA GLU A 28 14.094 -12.595 18.970 1.00 0.91 H new ATOM 0 HB2 GLU A 28 13.081 -14.239 20.480 1.00 1.11 H new ATOM 0 HB3 GLU A 28 11.906 -13.069 19.911 1.00 1.11 H new ATOM 0 HG2 GLU A 28 11.180 -14.770 18.174 1.00 1.59 H new ATOM 0 HG3 GLU A 28 12.233 -15.931 18.956 1.00 1.59 H new ATOM 439 N GLY A 29 15.485 -14.734 19.025 1.00 0.88 N ATOM 440 CA GLY A 29 16.476 -15.756 18.791 1.00 1.04 C ATOM 441 C GLY A 29 17.551 -15.726 19.848 1.00 0.79 C ATOM 442 O GLY A 29 18.733 -15.641 19.536 1.00 0.90 O ATOM 0 H GLY A 29 15.614 -14.207 19.889 1.00 0.88 H new ATOM 0 HA2 GLY A 29 15.997 -16.735 18.783 1.00 1.04 H new ATOM 0 HA3 GLY A 29 16.925 -15.613 17.808 1.00 1.04 H new ATOM 446 N GLU A 30 17.132 -15.790 21.105 1.00 0.73 N ATOM 447 CA GLU A 30 18.058 -15.720 22.227 1.00 0.80 C ATOM 448 C GLU A 30 18.959 -16.951 22.244 1.00 0.78 C ATOM 449 O GLU A 30 20.156 -16.858 22.505 1.00 0.96 O ATOM 450 CB GLU A 30 17.273 -15.611 23.534 1.00 1.08 C ATOM 451 CG GLU A 30 18.115 -15.280 24.756 1.00 1.35 C ATOM 452 CD GLU A 30 17.273 -15.138 26.008 1.00 1.68 C ATOM 453 OE1 GLU A 30 16.324 -14.323 26.001 1.00 1.89 O ATOM 454 OE2 GLU A 30 17.539 -15.850 26.995 1.00 2.29 O ATOM 0 H GLU A 30 16.153 -15.891 21.373 1.00 0.73 H new ATOM 0 HA GLU A 30 18.688 -14.837 22.119 1.00 0.80 H new ATOM 0 HB2 GLU A 30 16.507 -14.844 23.419 1.00 1.08 H new ATOM 0 HB3 GLU A 30 16.756 -16.554 23.711 1.00 1.08 H new ATOM 0 HG2 GLU A 30 18.858 -16.063 24.906 1.00 1.35 H new ATOM 0 HG3 GLU A 30 18.660 -14.353 24.579 1.00 1.35 H new ATOM 461 N GLU A 31 18.369 -18.101 21.950 1.00 0.76 N ATOM 462 CA GLU A 31 19.118 -19.344 21.859 1.00 0.86 C ATOM 463 C GLU A 31 19.260 -19.757 20.394 1.00 0.78 C ATOM 464 O GLU A 31 19.374 -20.942 20.066 1.00 1.11 O ATOM 465 CB GLU A 31 18.420 -20.434 22.673 1.00 1.09 C ATOM 466 CG GLU A 31 19.338 -21.589 23.043 1.00 1.56 C ATOM 467 CD GLU A 31 18.689 -22.574 23.986 1.00 2.17 C ATOM 468 OE1 GLU A 31 17.892 -23.410 23.523 1.00 2.64 O ATOM 469 OE2 GLU A 31 18.978 -22.513 25.200 1.00 2.54 O ATOM 0 H GLU A 31 17.370 -18.198 21.770 1.00 0.76 H new ATOM 0 HA GLU A 31 20.116 -19.198 22.272 1.00 0.86 H new ATOM 0 HB2 GLU A 31 18.015 -19.994 23.585 1.00 1.09 H new ATOM 0 HB3 GLU A 31 17.575 -20.819 22.102 1.00 1.09 H new ATOM 0 HG2 GLU A 31 19.643 -22.109 22.135 1.00 1.56 H new ATOM 0 HG3 GLU A 31 20.243 -21.194 23.504 1.00 1.56 H new ATOM 476 N ASN A 32 19.232 -18.764 19.515 1.00 0.51 N ATOM 477 CA ASN A 32 19.412 -18.992 18.087 1.00 0.55 C ATOM 478 C ASN A 32 20.454 -18.031 17.538 1.00 0.49 C ATOM 479 O ASN A 32 20.117 -17.036 16.883 1.00 0.57 O ATOM 480 CB ASN A 32 18.093 -18.806 17.327 1.00 0.71 C ATOM 481 CG ASN A 32 17.106 -19.940 17.534 1.00 0.95 C ATOM 482 OD1 ASN A 32 17.090 -20.904 16.773 1.00 1.45 O ATOM 483 ND2 ASN A 32 16.265 -19.828 18.549 1.00 1.19 N ATOM 0 H ASN A 32 19.085 -17.787 19.768 1.00 0.51 H new ATOM 0 HA ASN A 32 19.749 -20.019 17.948 1.00 0.55 H new ATOM 0 HB2 ASN A 32 17.630 -17.871 17.643 1.00 0.71 H new ATOM 0 HB3 ASN A 32 18.307 -18.712 16.262 1.00 0.71 H new ATOM 0 HD21 ASN A 32 15.573 -20.557 18.721 1.00 1.19 H new ATOM 0 HD22 ASN A 32 16.309 -19.012 19.160 1.00 1.19 H new ATOM 490 N ILE A 33 21.719 -18.325 17.810 1.00 0.47 N ATOM 491 CA ILE A 33 22.815 -17.458 17.392 1.00 0.51 C ATOM 492 C ILE A 33 23.913 -18.258 16.685 1.00 0.44 C ATOM 493 O ILE A 33 24.480 -19.195 17.251 1.00 0.47 O ATOM 494 CB ILE A 33 23.429 -16.707 18.601 1.00 0.66 C ATOM 495 CG1 ILE A 33 22.383 -15.811 19.281 1.00 0.74 C ATOM 496 CG2 ILE A 33 24.636 -15.878 18.168 1.00 0.76 C ATOM 497 CD1 ILE A 33 21.869 -14.686 18.410 1.00 0.81 C ATOM 0 H ILE A 33 22.013 -19.159 18.319 1.00 0.47 H new ATOM 0 HA ILE A 33 22.399 -16.730 16.696 1.00 0.51 H new ATOM 0 HB ILE A 33 23.762 -17.453 19.323 1.00 0.66 H new ATOM 0 HG12 ILE A 33 21.540 -16.428 19.593 1.00 0.74 H new ATOM 0 HG13 ILE A 33 22.818 -15.385 20.185 1.00 0.74 H new ATOM 0 HG21 ILE A 33 25.051 -15.360 19.033 1.00 0.76 H new ATOM 0 HG22 ILE A 33 25.394 -16.535 17.741 1.00 0.76 H new ATOM 0 HG23 ILE A 33 24.326 -15.147 17.421 1.00 0.76 H new ATOM 0 HD11 ILE A 33 21.135 -14.102 18.965 1.00 0.81 H new ATOM 0 HD12 ILE A 33 22.699 -14.043 18.119 1.00 0.81 H new ATOM 0 HD13 ILE A 33 21.402 -15.101 17.517 1.00 0.81 H new ATOM 509 N PRO A 34 24.207 -17.916 15.423 1.00 0.46 N ATOM 510 CA PRO A 34 25.309 -18.527 14.677 1.00 0.44 C ATOM 511 C PRO A 34 26.668 -18.012 15.160 1.00 0.52 C ATOM 512 O PRO A 34 26.874 -16.804 15.298 1.00 0.75 O ATOM 513 CB PRO A 34 25.045 -18.092 13.236 1.00 0.51 C ATOM 514 CG PRO A 34 24.291 -16.813 13.360 1.00 0.54 C ATOM 515 CD PRO A 34 23.481 -16.917 14.623 1.00 0.62 C ATOM 0 HA PRO A 34 25.349 -19.609 14.800 1.00 0.44 H new ATOM 0 HB2 PRO A 34 25.977 -17.951 12.688 1.00 0.51 H new ATOM 0 HB3 PRO A 34 24.467 -18.842 12.695 1.00 0.51 H new ATOM 0 HG2 PRO A 34 24.972 -15.963 13.405 1.00 0.54 H new ATOM 0 HG3 PRO A 34 23.645 -16.658 12.496 1.00 0.54 H new ATOM 0 HD2 PRO A 34 23.420 -15.959 15.139 1.00 0.62 H new ATOM 0 HD3 PRO A 34 22.459 -17.235 14.418 1.00 0.62 H new ATOM 523 N LYS A 35 27.596 -18.927 15.410 1.00 0.49 N ATOM 524 CA LYS A 35 28.882 -18.569 16.001 1.00 0.60 C ATOM 525 C LYS A 35 30.024 -19.084 15.142 1.00 0.56 C ATOM 526 O LYS A 35 29.932 -20.175 14.578 1.00 0.58 O ATOM 527 CB LYS A 35 28.990 -19.165 17.409 1.00 0.83 C ATOM 528 CG LYS A 35 27.872 -18.733 18.348 1.00 1.17 C ATOM 529 CD LYS A 35 28.018 -17.282 18.780 1.00 1.46 C ATOM 530 CE LYS A 35 29.204 -17.102 19.710 1.00 1.98 C ATOM 531 NZ LYS A 35 29.290 -15.716 20.238 1.00 2.66 N ATOM 0 H LYS A 35 27.484 -19.922 15.214 1.00 0.49 H new ATOM 0 HA LYS A 35 28.947 -17.483 16.059 1.00 0.60 H new ATOM 0 HB2 LYS A 35 28.989 -20.252 17.334 1.00 0.83 H new ATOM 0 HB3 LYS A 35 29.948 -18.877 17.843 1.00 0.83 H new ATOM 0 HG2 LYS A 35 26.910 -18.869 17.853 1.00 1.17 H new ATOM 0 HG3 LYS A 35 27.870 -19.375 19.229 1.00 1.17 H new ATOM 0 HD2 LYS A 35 28.142 -16.649 17.901 1.00 1.46 H new ATOM 0 HD3 LYS A 35 27.107 -16.956 19.281 1.00 1.46 H new ATOM 0 HE2 LYS A 35 29.123 -17.802 20.541 1.00 1.98 H new ATOM 0 HE3 LYS A 35 30.123 -17.345 19.177 1.00 1.98 H new ATOM 0 HZ1 LYS A 35 30.113 -15.635 20.869 1.00 2.66 H new ATOM 0 HZ2 LYS A 35 29.393 -15.049 19.447 1.00 2.66 H new ATOM 0 HZ3 LYS A 35 28.424 -15.492 20.769 1.00 2.66 H new ATOM 545 N LYS A 36 31.091 -18.304 15.030 1.00 0.67 N ATOM 546 CA LYS A 36 32.278 -18.759 14.326 1.00 0.82 C ATOM 547 C LYS A 36 32.979 -19.830 15.152 1.00 0.84 C ATOM 548 O LYS A 36 33.074 -19.717 16.374 1.00 0.91 O ATOM 549 CB LYS A 36 33.245 -17.605 14.057 1.00 1.09 C ATOM 550 CG LYS A 36 34.488 -18.041 13.298 1.00 1.26 C ATOM 551 CD LYS A 36 35.729 -17.325 13.795 1.00 1.36 C ATOM 552 CE LYS A 36 35.863 -15.920 13.225 1.00 2.14 C ATOM 553 NZ LYS A 36 36.168 -15.948 11.772 1.00 2.51 N ATOM 0 H LYS A 36 31.157 -17.362 15.415 1.00 0.67 H new ATOM 0 HA LYS A 36 31.967 -19.171 13.366 1.00 0.82 H new ATOM 0 HB2 LYS A 36 32.730 -16.831 13.488 1.00 1.09 H new ATOM 0 HB3 LYS A 36 33.542 -17.158 15.006 1.00 1.09 H new ATOM 0 HG2 LYS A 36 34.621 -19.117 13.406 1.00 1.26 H new ATOM 0 HG3 LYS A 36 34.354 -17.841 12.235 1.00 1.26 H new ATOM 0 HD2 LYS A 36 35.701 -17.270 14.883 1.00 1.36 H new ATOM 0 HD3 LYS A 36 36.611 -17.907 13.528 1.00 1.36 H new ATOM 0 HE2 LYS A 36 34.938 -15.369 13.393 1.00 2.14 H new ATOM 0 HE3 LYS A 36 36.653 -15.386 13.753 1.00 2.14 H new ATOM 0 HZ1 LYS A 36 36.370 -14.983 11.441 1.00 2.51 H new ATOM 0 HZ2 LYS A 36 36.997 -16.552 11.603 1.00 2.51 H new ATOM 0 HZ3 LYS A 36 35.351 -16.328 11.253 1.00 2.51 H new ATOM 567 N GLY A 37 33.451 -20.869 14.488 1.00 0.92 N ATOM 568 CA GLY A 37 34.098 -21.963 15.184 1.00 1.04 C ATOM 569 C GLY A 37 33.119 -23.070 15.503 1.00 0.96 C ATOM 570 O GLY A 37 33.495 -24.240 15.605 1.00 1.12 O ATOM 0 H GLY A 37 33.399 -20.977 13.475 1.00 0.92 H new ATOM 0 HA2 GLY A 37 34.908 -22.357 14.571 1.00 1.04 H new ATOM 0 HA3 GLY A 37 34.546 -21.595 16.107 1.00 1.04 H new ATOM 574 N ASN A 38 31.853 -22.698 15.642 1.00 0.79 N ATOM 575 CA ASN A 38 30.791 -23.673 15.838 1.00 0.75 C ATOM 576 C ASN A 38 30.253 -24.126 14.492 1.00 0.72 C ATOM 577 O ASN A 38 30.211 -23.351 13.535 1.00 0.79 O ATOM 578 CB ASN A 38 29.662 -23.109 16.712 1.00 0.75 C ATOM 579 CG ASN A 38 29.992 -23.170 18.192 1.00 0.87 C ATOM 580 OD1 ASN A 38 30.720 -24.053 18.641 1.00 1.38 O ATOM 581 ND2 ASN A 38 29.451 -22.239 18.963 1.00 0.98 N ATOM 0 H ASN A 38 31.538 -21.728 15.622 1.00 0.79 H new ATOM 0 HA ASN A 38 31.209 -24.532 16.363 1.00 0.75 H new ATOM 0 HB2 ASN A 38 29.468 -22.075 16.428 1.00 0.75 H new ATOM 0 HB3 ASN A 38 28.746 -23.668 16.523 1.00 0.75 H new ATOM 0 HD21 ASN A 38 29.633 -22.239 19.967 1.00 0.98 H new ATOM 0 HD22 ASN A 38 28.852 -21.522 18.553 1.00 0.98 H new ATOM 588 N GLU A 39 29.870 -25.389 14.420 1.00 0.71 N ATOM 589 CA GLU A 39 29.450 -25.995 13.165 1.00 0.73 C ATOM 590 C GLU A 39 28.115 -25.441 12.678 1.00 0.63 C ATOM 591 O GLU A 39 27.051 -25.853 13.138 1.00 0.69 O ATOM 592 CB GLU A 39 29.363 -27.509 13.319 1.00 0.86 C ATOM 593 CG GLU A 39 30.684 -28.154 13.698 1.00 1.37 C ATOM 594 CD GLU A 39 30.595 -29.659 13.747 1.00 1.73 C ATOM 595 OE1 GLU A 39 30.813 -30.305 12.705 1.00 2.20 O ATOM 596 OE2 GLU A 39 30.301 -30.203 14.834 1.00 2.17 O ATOM 0 H GLU A 39 29.841 -26.020 15.221 1.00 0.71 H new ATOM 0 HA GLU A 39 30.200 -25.746 12.415 1.00 0.73 H new ATOM 0 HB2 GLU A 39 28.620 -27.747 14.080 1.00 0.86 H new ATOM 0 HB3 GLU A 39 29.011 -27.942 12.383 1.00 0.86 H new ATOM 0 HG2 GLU A 39 31.448 -27.861 12.978 1.00 1.37 H new ATOM 0 HG3 GLU A 39 31.002 -27.780 14.671 1.00 1.37 H new ATOM 603 N VAL A 40 28.180 -24.497 11.752 1.00 0.60 N ATOM 604 CA VAL A 40 26.985 -23.971 11.114 1.00 0.54 C ATOM 605 C VAL A 40 27.007 -24.299 9.622 1.00 0.54 C ATOM 606 O VAL A 40 28.073 -24.468 9.033 1.00 0.67 O ATOM 607 CB VAL A 40 26.836 -22.444 11.311 1.00 0.57 C ATOM 608 CG1 VAL A 40 26.817 -22.090 12.790 1.00 0.61 C ATOM 609 CG2 VAL A 40 27.939 -21.694 10.590 1.00 0.67 C ATOM 0 H VAL A 40 29.051 -24.079 11.425 1.00 0.60 H new ATOM 0 HA VAL A 40 26.127 -24.447 11.589 1.00 0.54 H new ATOM 0 HB VAL A 40 25.884 -22.139 10.877 1.00 0.57 H new ATOM 0 HG11 VAL A 40 26.711 -21.011 12.905 1.00 0.61 H new ATOM 0 HG12 VAL A 40 25.978 -22.590 13.273 1.00 0.61 H new ATOM 0 HG13 VAL A 40 27.748 -22.415 13.254 1.00 0.61 H new ATOM 0 HG21 VAL A 40 27.811 -20.623 10.744 1.00 0.67 H new ATOM 0 HG22 VAL A 40 28.907 -22.004 10.983 1.00 0.67 H new ATOM 0 HG23 VAL A 40 27.892 -21.915 9.524 1.00 0.67 H new ATOM 619 N THR A 41 25.834 -24.416 9.027 1.00 0.46 N ATOM 620 CA THR A 41 25.715 -24.734 7.614 1.00 0.48 C ATOM 621 C THR A 41 24.822 -23.706 6.930 1.00 0.42 C ATOM 622 O THR A 41 23.727 -23.405 7.422 1.00 0.44 O ATOM 623 CB THR A 41 25.125 -26.140 7.428 1.00 0.56 C ATOM 624 OG1 THR A 41 25.784 -27.058 8.312 1.00 0.65 O ATOM 625 CG2 THR A 41 25.283 -26.615 5.993 1.00 0.63 C ATOM 0 H THR A 41 24.941 -24.294 9.505 1.00 0.46 H new ATOM 0 HA THR A 41 26.708 -24.710 7.164 1.00 0.48 H new ATOM 0 HB THR A 41 24.061 -26.098 7.660 1.00 0.56 H new ATOM 0 HG1 THR A 41 26.749 -27.041 8.141 1.00 0.65 H new ATOM 0 HG21 THR A 41 24.856 -27.613 5.891 1.00 0.63 H new ATOM 0 HG22 THR A 41 24.765 -25.929 5.323 1.00 0.63 H new ATOM 0 HG23 THR A 41 26.341 -26.645 5.734 1.00 0.63 H new ATOM 633 N VAL A 42 25.282 -23.165 5.809 1.00 0.40 N ATOM 634 CA VAL A 42 24.581 -22.068 5.153 1.00 0.42 C ATOM 635 C VAL A 42 24.515 -22.242 3.638 1.00 0.43 C ATOM 636 O VAL A 42 25.378 -22.875 3.029 1.00 0.49 O ATOM 637 CB VAL A 42 25.234 -20.704 5.476 1.00 0.46 C ATOM 638 CG1 VAL A 42 24.952 -20.292 6.910 1.00 0.80 C ATOM 639 CG2 VAL A 42 26.731 -20.764 5.237 1.00 0.87 C ATOM 0 H VAL A 42 26.134 -23.466 5.336 1.00 0.40 H new ATOM 0 HA VAL A 42 23.565 -22.086 5.547 1.00 0.42 H new ATOM 0 HB VAL A 42 24.799 -19.957 4.812 1.00 0.46 H new ATOM 0 HG11 VAL A 42 25.422 -19.330 7.111 1.00 0.80 H new ATOM 0 HG12 VAL A 42 23.876 -20.208 7.059 1.00 0.80 H new ATOM 0 HG13 VAL A 42 25.355 -21.042 7.590 1.00 0.80 H new ATOM 0 HG21 VAL A 42 27.176 -19.796 5.469 1.00 0.87 H new ATOM 0 HG22 VAL A 42 27.171 -21.528 5.877 1.00 0.87 H new ATOM 0 HG23 VAL A 42 26.923 -21.011 4.193 1.00 0.87 H new ATOM 649 N HIS A 43 23.473 -21.667 3.055 1.00 0.44 N ATOM 650 CA HIS A 43 23.239 -21.696 1.611 1.00 0.49 C ATOM 651 C HIS A 43 23.564 -20.331 1.013 1.00 0.47 C ATOM 652 O HIS A 43 23.077 -19.319 1.508 1.00 0.53 O ATOM 653 CB HIS A 43 21.762 -22.062 1.353 1.00 0.64 C ATOM 654 CG HIS A 43 21.249 -21.748 -0.025 1.00 1.16 C ATOM 655 ND1 HIS A 43 20.807 -20.495 -0.393 1.00 2.00 N ATOM 656 CD2 HIS A 43 21.058 -22.541 -1.105 1.00 2.04 C ATOM 657 CE1 HIS A 43 20.375 -20.531 -1.638 1.00 2.74 C ATOM 658 NE2 HIS A 43 20.510 -21.762 -2.099 1.00 2.75 N ATOM 0 H HIS A 43 22.756 -21.160 3.574 1.00 0.44 H new ATOM 0 HA HIS A 43 23.881 -22.441 1.141 1.00 0.49 H new ATOM 0 HB2 HIS A 43 21.633 -23.129 1.536 1.00 0.64 H new ATOM 0 HB3 HIS A 43 21.143 -21.537 2.081 1.00 0.64 H new ATOM 0 HD2 HIS A 43 21.293 -23.593 -1.174 1.00 2.04 H new ATOM 0 HE1 HIS A 43 19.976 -19.693 -2.190 1.00 2.74 H new ATOM 0 HE2 HIS A 43 20.252 -22.081 -3.033 1.00 2.75 H new ATOM 667 N TYR A 44 24.374 -20.296 -0.045 1.00 0.44 N ATOM 668 CA TYR A 44 24.719 -19.027 -0.684 1.00 0.42 C ATOM 669 C TYR A 44 24.610 -19.119 -2.206 1.00 0.41 C ATOM 670 O TYR A 44 24.947 -20.141 -2.802 1.00 0.47 O ATOM 671 CB TYR A 44 26.129 -18.570 -0.271 1.00 0.46 C ATOM 672 CG TYR A 44 27.261 -19.271 -0.995 1.00 0.50 C ATOM 673 CD1 TYR A 44 27.561 -20.600 -0.735 1.00 0.52 C ATOM 674 CD2 TYR A 44 28.033 -18.596 -1.938 1.00 0.60 C ATOM 675 CE1 TYR A 44 28.593 -21.241 -1.391 1.00 0.60 C ATOM 676 CE2 TYR A 44 29.069 -19.233 -2.599 1.00 0.68 C ATOM 677 CZ TYR A 44 29.343 -20.555 -2.320 1.00 0.66 C ATOM 678 OH TYR A 44 30.373 -21.194 -2.974 1.00 0.76 O ATOM 0 H TYR A 44 24.798 -21.119 -0.473 1.00 0.44 H new ATOM 0 HA TYR A 44 24.000 -18.282 -0.342 1.00 0.42 H new ATOM 0 HB2 TYR A 44 26.214 -17.497 -0.445 1.00 0.46 H new ATOM 0 HB3 TYR A 44 26.248 -18.729 0.801 1.00 0.46 H new ATOM 0 HD1 TYR A 44 26.977 -21.143 -0.007 1.00 0.52 H new ATOM 0 HD2 TYR A 44 27.820 -17.560 -2.157 1.00 0.60 H new ATOM 0 HE1 TYR A 44 28.811 -22.277 -1.176 1.00 0.60 H new ATOM 0 HE2 TYR A 44 29.659 -18.698 -3.329 1.00 0.68 H new ATOM 0 HH TYR A 44 30.801 -20.571 -3.597 1.00 0.76 H new ATOM 688 N VAL A 45 24.093 -18.055 -2.812 1.00 0.35 N ATOM 689 CA VAL A 45 24.027 -17.920 -4.264 1.00 0.36 C ATOM 690 C VAL A 45 23.631 -16.478 -4.602 1.00 0.30 C ATOM 691 O VAL A 45 23.080 -15.786 -3.749 1.00 0.30 O ATOM 692 CB VAL A 45 23.019 -18.921 -4.886 1.00 0.44 C ATOM 693 CG1 VAL A 45 21.590 -18.566 -4.518 1.00 0.47 C ATOM 694 CG2 VAL A 45 23.183 -18.997 -6.399 1.00 0.49 C ATOM 0 H VAL A 45 23.706 -17.258 -2.307 1.00 0.35 H new ATOM 0 HA VAL A 45 25.005 -18.150 -4.687 1.00 0.36 H new ATOM 0 HB VAL A 45 23.237 -19.905 -4.471 1.00 0.44 H new ATOM 0 HG11 VAL A 45 20.908 -19.287 -4.970 1.00 0.47 H new ATOM 0 HG12 VAL A 45 21.477 -18.589 -3.434 1.00 0.47 H new ATOM 0 HG13 VAL A 45 21.357 -17.567 -4.886 1.00 0.47 H new ATOM 0 HG21 VAL A 45 22.463 -19.706 -6.808 1.00 0.49 H new ATOM 0 HG22 VAL A 45 23.009 -18.013 -6.834 1.00 0.49 H new ATOM 0 HG23 VAL A 45 24.194 -19.326 -6.639 1.00 0.49 H new ATOM 704 N GLY A 46 23.922 -16.012 -5.809 1.00 0.31 N ATOM 705 CA GLY A 46 23.577 -14.643 -6.159 1.00 0.30 C ATOM 706 C GLY A 46 23.922 -14.293 -7.592 1.00 0.30 C ATOM 707 O GLY A 46 23.505 -14.980 -8.521 1.00 0.36 O ATOM 0 H GLY A 46 24.384 -16.546 -6.545 1.00 0.31 H new ATOM 0 HA2 GLY A 46 22.509 -14.492 -6.001 1.00 0.30 H new ATOM 0 HA3 GLY A 46 24.099 -13.960 -5.488 1.00 0.30 H new ATOM 711 N LYS A 47 24.672 -13.210 -7.782 1.00 0.27 N ATOM 712 CA LYS A 47 25.081 -12.792 -9.116 1.00 0.29 C ATOM 713 C LYS A 47 26.353 -11.958 -9.073 1.00 0.25 C ATOM 714 O LYS A 47 26.823 -11.576 -7.999 1.00 0.26 O ATOM 715 CB LYS A 47 23.964 -12.015 -9.830 1.00 0.36 C ATOM 716 CG LYS A 47 23.469 -10.771 -9.103 1.00 0.42 C ATOM 717 CD LYS A 47 22.599 -9.921 -10.019 1.00 0.66 C ATOM 718 CE LYS A 47 21.794 -8.875 -9.256 1.00 0.83 C ATOM 719 NZ LYS A 47 22.654 -7.915 -8.513 1.00 1.43 N ATOM 0 H LYS A 47 25.007 -12.609 -7.029 1.00 0.27 H new ATOM 0 HA LYS A 47 25.284 -13.700 -9.684 1.00 0.29 H new ATOM 0 HB2 LYS A 47 24.322 -11.721 -10.817 1.00 0.36 H new ATOM 0 HB3 LYS A 47 23.119 -12.686 -9.985 1.00 0.36 H new ATOM 0 HG2 LYS A 47 22.900 -11.062 -8.220 1.00 0.42 H new ATOM 0 HG3 LYS A 47 24.320 -10.185 -8.755 1.00 0.42 H new ATOM 0 HD2 LYS A 47 23.230 -9.423 -10.755 1.00 0.66 H new ATOM 0 HD3 LYS A 47 21.917 -10.568 -10.570 1.00 0.66 H new ATOM 0 HE2 LYS A 47 21.165 -8.325 -9.956 1.00 0.83 H new ATOM 0 HE3 LYS A 47 21.127 -9.377 -8.555 1.00 0.83 H new ATOM 0 HZ1 LYS A 47 22.145 -7.016 -8.390 1.00 1.43 H new ATOM 0 HZ2 LYS A 47 22.890 -8.310 -7.580 1.00 1.43 H new ATOM 0 HZ3 LYS A 47 23.529 -7.747 -9.049 1.00 1.43 H new ATOM 733 N LEU A 48 26.907 -11.695 -10.249 1.00 0.27 N ATOM 734 CA LEU A 48 28.116 -10.896 -10.381 1.00 0.26 C ATOM 735 C LEU A 48 27.744 -9.441 -10.639 1.00 0.25 C ATOM 736 O LEU A 48 27.435 -9.062 -11.771 1.00 0.27 O ATOM 737 CB LEU A 48 28.981 -11.434 -11.530 1.00 0.29 C ATOM 738 CG LEU A 48 30.257 -10.643 -11.838 1.00 0.32 C ATOM 739 CD1 LEU A 48 31.211 -10.679 -10.659 1.00 0.36 C ATOM 740 CD2 LEU A 48 30.931 -11.199 -13.084 1.00 0.38 C ATOM 0 H LEU A 48 26.531 -12.029 -11.136 1.00 0.27 H new ATOM 0 HA LEU A 48 28.689 -10.958 -9.456 1.00 0.26 H new ATOM 0 HB2 LEU A 48 29.261 -12.461 -11.297 1.00 0.29 H new ATOM 0 HB3 LEU A 48 28.371 -11.467 -12.433 1.00 0.29 H new ATOM 0 HG LEU A 48 29.983 -9.604 -12.021 1.00 0.32 H new ATOM 0 HD11 LEU A 48 32.109 -10.111 -10.901 1.00 0.36 H new ATOM 0 HD12 LEU A 48 30.728 -10.240 -9.786 1.00 0.36 H new ATOM 0 HD13 LEU A 48 31.482 -11.712 -10.442 1.00 0.36 H new ATOM 0 HD21 LEU A 48 31.836 -10.629 -13.293 1.00 0.38 H new ATOM 0 HD22 LEU A 48 31.190 -12.245 -12.921 1.00 0.38 H new ATOM 0 HD23 LEU A 48 30.250 -11.121 -13.931 1.00 0.38 H new ATOM 752 N GLU A 49 27.760 -8.635 -9.583 1.00 0.29 N ATOM 753 CA GLU A 49 27.338 -7.239 -9.675 1.00 0.36 C ATOM 754 C GLU A 49 28.325 -6.415 -10.492 1.00 0.34 C ATOM 755 O GLU A 49 27.980 -5.358 -11.007 1.00 0.41 O ATOM 756 CB GLU A 49 27.195 -6.618 -8.283 1.00 0.50 C ATOM 757 CG GLU A 49 26.293 -5.397 -8.258 1.00 0.63 C ATOM 758 CD GLU A 49 24.840 -5.748 -8.517 1.00 1.20 C ATOM 759 OE1 GLU A 49 24.544 -6.374 -9.559 1.00 1.96 O ATOM 760 OE2 GLU A 49 23.991 -5.428 -7.665 1.00 1.75 O ATOM 0 H GLU A 49 28.061 -8.923 -8.652 1.00 0.29 H new ATOM 0 HA GLU A 49 26.370 -7.229 -10.175 1.00 0.36 H new ATOM 0 HB2 GLU A 49 26.799 -7.367 -7.598 1.00 0.50 H new ATOM 0 HB3 GLU A 49 28.182 -6.339 -7.914 1.00 0.50 H new ATOM 0 HG2 GLU A 49 26.378 -4.905 -7.289 1.00 0.63 H new ATOM 0 HG3 GLU A 49 26.631 -4.683 -9.009 1.00 0.63 H new ATOM 767 N SER A 50 29.547 -6.920 -10.613 1.00 0.33 N ATOM 768 CA SER A 50 30.620 -6.204 -11.295 1.00 0.40 C ATOM 769 C SER A 50 30.218 -5.816 -12.722 1.00 0.45 C ATOM 770 O SER A 50 30.719 -4.838 -13.279 1.00 0.55 O ATOM 771 CB SER A 50 31.884 -7.065 -11.320 1.00 0.46 C ATOM 772 OG SER A 50 33.033 -6.278 -11.571 1.00 0.67 O ATOM 0 H SER A 50 29.822 -7.831 -10.244 1.00 0.33 H new ATOM 0 HA SER A 50 30.817 -5.285 -10.744 1.00 0.40 H new ATOM 0 HB2 SER A 50 31.995 -7.581 -10.366 1.00 0.46 H new ATOM 0 HB3 SER A 50 31.790 -7.832 -12.089 1.00 0.46 H new ATOM 0 HG SER A 50 33.759 -6.852 -11.894 1.00 0.67 H new ATOM 778 N THR A 51 29.319 -6.592 -13.313 1.00 0.44 N ATOM 779 CA THR A 51 28.798 -6.289 -14.636 1.00 0.53 C ATOM 780 C THR A 51 27.286 -6.537 -14.686 1.00 0.54 C ATOM 781 O THR A 51 26.666 -6.469 -15.746 1.00 0.73 O ATOM 782 CB THR A 51 29.530 -7.121 -15.723 1.00 0.59 C ATOM 783 OG1 THR A 51 28.941 -6.910 -17.012 1.00 0.72 O ATOM 784 CG2 THR A 51 29.509 -8.602 -15.387 1.00 0.53 C ATOM 0 H THR A 51 28.935 -7.439 -12.894 1.00 0.44 H new ATOM 0 HA THR A 51 28.980 -5.234 -14.842 1.00 0.53 H new ATOM 0 HB THR A 51 30.566 -6.784 -15.748 1.00 0.59 H new ATOM 0 HG1 THR A 51 28.031 -6.563 -16.903 1.00 0.72 H new ATOM 0 HG21 THR A 51 30.029 -9.159 -16.166 1.00 0.53 H new ATOM 0 HG22 THR A 51 30.006 -8.765 -14.431 1.00 0.53 H new ATOM 0 HG23 THR A 51 28.477 -8.946 -15.323 1.00 0.53 H new ATOM 792 N GLY A 52 26.699 -6.784 -13.516 1.00 0.48 N ATOM 793 CA GLY A 52 25.272 -7.045 -13.423 1.00 0.51 C ATOM 794 C GLY A 52 24.854 -8.284 -14.191 1.00 0.54 C ATOM 795 O GLY A 52 23.984 -8.220 -15.060 1.00 0.78 O ATOM 0 H GLY A 52 27.192 -6.808 -12.624 1.00 0.48 H new ATOM 0 HA2 GLY A 52 24.995 -7.161 -12.375 1.00 0.51 H new ATOM 0 HA3 GLY A 52 24.723 -6.184 -13.804 1.00 0.51 H new ATOM 799 N LYS A 53 25.481 -9.408 -13.877 1.00 0.44 N ATOM 800 CA LYS A 53 25.180 -10.667 -14.543 1.00 0.49 C ATOM 801 C LYS A 53 24.723 -11.710 -13.532 1.00 0.41 C ATOM 802 O LYS A 53 25.467 -12.052 -12.612 1.00 0.38 O ATOM 803 CB LYS A 53 26.415 -11.174 -15.293 1.00 0.60 C ATOM 804 CG LYS A 53 26.790 -10.332 -16.505 1.00 0.84 C ATOM 805 CD LYS A 53 25.907 -10.649 -17.701 1.00 1.47 C ATOM 806 CE LYS A 53 26.182 -12.048 -18.234 1.00 2.09 C ATOM 807 NZ LYS A 53 25.301 -12.402 -19.376 1.00 2.89 N ATOM 0 H LYS A 53 26.205 -9.474 -13.162 1.00 0.44 H new ATOM 0 HA LYS A 53 24.374 -10.496 -15.257 1.00 0.49 H new ATOM 0 HB2 LYS A 53 27.260 -11.200 -14.605 1.00 0.60 H new ATOM 0 HB3 LYS A 53 26.236 -12.199 -15.617 1.00 0.60 H new ATOM 0 HG2 LYS A 53 26.701 -9.275 -16.256 1.00 0.84 H new ATOM 0 HG3 LYS A 53 27.833 -10.511 -16.765 1.00 0.84 H new ATOM 0 HD2 LYS A 53 24.859 -10.566 -17.414 1.00 1.47 H new ATOM 0 HD3 LYS A 53 26.081 -9.916 -18.489 1.00 1.47 H new ATOM 0 HE2 LYS A 53 27.224 -12.116 -18.548 1.00 2.09 H new ATOM 0 HE3 LYS A 53 26.042 -12.773 -17.432 1.00 2.09 H new ATOM 0 HZ1 LYS A 53 25.526 -13.363 -19.703 1.00 2.89 H new ATOM 0 HZ2 LYS A 53 24.307 -12.364 -19.072 1.00 2.89 H new ATOM 0 HZ3 LYS A 53 25.452 -11.727 -20.153 1.00 2.89 H new ATOM 821 N VAL A 54 23.495 -12.188 -13.689 1.00 0.44 N ATOM 822 CA VAL A 54 22.944 -13.202 -12.795 1.00 0.44 C ATOM 823 C VAL A 54 23.641 -14.551 -13.000 1.00 0.46 C ATOM 824 O VAL A 54 24.188 -14.825 -14.073 1.00 0.51 O ATOM 825 CB VAL A 54 21.417 -13.354 -13.008 1.00 0.52 C ATOM 826 CG1 VAL A 54 21.109 -13.956 -14.370 1.00 0.59 C ATOM 827 CG2 VAL A 54 20.780 -14.175 -11.892 1.00 0.57 C ATOM 0 H VAL A 54 22.859 -11.890 -14.429 1.00 0.44 H new ATOM 0 HA VAL A 54 23.122 -12.873 -11.771 1.00 0.44 H new ATOM 0 HB VAL A 54 20.981 -12.356 -12.977 1.00 0.52 H new ATOM 0 HG11 VAL A 54 20.030 -14.050 -14.490 1.00 0.59 H new ATOM 0 HG12 VAL A 54 21.506 -13.309 -15.152 1.00 0.59 H new ATOM 0 HG13 VAL A 54 21.570 -14.941 -14.445 1.00 0.59 H new ATOM 0 HG21 VAL A 54 19.708 -14.263 -12.071 1.00 0.57 H new ATOM 0 HG22 VAL A 54 21.227 -15.169 -11.871 1.00 0.57 H new ATOM 0 HG23 VAL A 54 20.948 -13.681 -10.935 1.00 0.57 H new ATOM 837 N PHE A 55 23.645 -15.379 -11.962 1.00 0.48 N ATOM 838 CA PHE A 55 24.229 -16.709 -12.051 1.00 0.54 C ATOM 839 C PHE A 55 23.300 -17.653 -12.798 1.00 0.61 C ATOM 840 O PHE A 55 22.264 -18.068 -12.276 1.00 0.78 O ATOM 841 CB PHE A 55 24.517 -17.278 -10.657 1.00 0.59 C ATOM 842 CG PHE A 55 25.756 -16.744 -9.996 1.00 0.47 C ATOM 843 CD1 PHE A 55 26.432 -15.644 -10.503 1.00 0.52 C ATOM 844 CD2 PHE A 55 26.247 -17.357 -8.857 1.00 0.58 C ATOM 845 CE1 PHE A 55 27.570 -15.169 -9.882 1.00 0.46 C ATOM 846 CE2 PHE A 55 27.383 -16.887 -8.234 1.00 0.70 C ATOM 847 CZ PHE A 55 28.048 -15.791 -8.746 1.00 0.56 C ATOM 0 H PHE A 55 23.250 -15.152 -11.050 1.00 0.48 H new ATOM 0 HA PHE A 55 25.168 -16.620 -12.597 1.00 0.54 H new ATOM 0 HB2 PHE A 55 23.662 -17.071 -10.013 1.00 0.59 H new ATOM 0 HB3 PHE A 55 24.603 -18.362 -10.734 1.00 0.59 H new ATOM 0 HD1 PHE A 55 26.064 -15.154 -11.393 1.00 0.52 H new ATOM 0 HD2 PHE A 55 25.733 -18.216 -8.451 1.00 0.58 H new ATOM 0 HE1 PHE A 55 28.086 -14.310 -10.285 1.00 0.46 H new ATOM 0 HE2 PHE A 55 27.753 -17.376 -7.345 1.00 0.70 H new ATOM 0 HZ PHE A 55 28.939 -15.422 -8.260 1.00 0.56 H new ATOM 857 N ASP A 56 23.656 -17.963 -14.031 1.00 0.61 N ATOM 858 CA ASP A 56 22.952 -18.983 -14.785 1.00 0.71 C ATOM 859 C ASP A 56 23.946 -19.950 -15.392 1.00 0.70 C ATOM 860 O ASP A 56 24.395 -19.785 -16.528 1.00 0.87 O ATOM 861 CB ASP A 56 22.063 -18.387 -15.882 1.00 0.91 C ATOM 862 CG ASP A 56 21.351 -19.459 -16.698 1.00 1.59 C ATOM 863 OD1 ASP A 56 21.134 -20.563 -16.162 1.00 2.14 O ATOM 864 OD2 ASP A 56 21.014 -19.209 -17.881 1.00 2.18 O ATOM 0 H ASP A 56 24.428 -17.523 -14.531 1.00 0.61 H new ATOM 0 HA ASP A 56 22.298 -19.510 -14.090 1.00 0.71 H new ATOM 0 HB2 ASP A 56 21.323 -17.728 -15.428 1.00 0.91 H new ATOM 0 HB3 ASP A 56 22.672 -17.773 -16.546 1.00 0.91 H new ATOM 869 N SER A 57 24.320 -20.936 -14.607 1.00 0.61 N ATOM 870 CA SER A 57 25.188 -21.989 -15.073 1.00 0.67 C ATOM 871 C SER A 57 24.434 -23.306 -15.000 1.00 0.68 C ATOM 872 O SER A 57 23.493 -23.448 -14.215 1.00 0.75 O ATOM 873 CB SER A 57 26.452 -22.047 -14.216 1.00 0.75 C ATOM 874 OG SER A 57 26.718 -20.780 -13.641 1.00 1.24 O ATOM 0 H SER A 57 24.032 -21.028 -13.633 1.00 0.61 H new ATOM 0 HA SER A 57 25.488 -21.796 -16.103 1.00 0.67 H new ATOM 0 HB2 SER A 57 26.332 -22.792 -13.430 1.00 0.75 H new ATOM 0 HB3 SER A 57 27.299 -22.361 -14.826 1.00 0.75 H new ATOM 0 HG SER A 57 26.109 -20.628 -12.889 1.00 1.24 H new ATOM 880 N SER A 58 24.851 -24.263 -15.802 1.00 0.75 N ATOM 881 CA SER A 58 24.174 -25.542 -15.878 1.00 0.82 C ATOM 882 C SER A 58 24.352 -26.328 -14.578 1.00 0.70 C ATOM 883 O SER A 58 23.572 -27.226 -14.265 1.00 0.70 O ATOM 884 CB SER A 58 24.728 -26.316 -17.069 1.00 1.03 C ATOM 885 OG SER A 58 24.809 -25.470 -18.209 1.00 1.49 O ATOM 0 H SER A 58 25.662 -24.179 -16.415 1.00 0.75 H new ATOM 0 HA SER A 58 23.104 -25.385 -16.015 1.00 0.82 H new ATOM 0 HB2 SER A 58 25.715 -26.710 -16.829 1.00 1.03 H new ATOM 0 HB3 SER A 58 24.088 -27.171 -17.286 1.00 1.03 H new ATOM 0 HG SER A 58 25.168 -25.977 -18.967 1.00 1.49 H new ATOM 891 N PHE A 59 25.383 -25.978 -13.821 1.00 0.69 N ATOM 892 CA PHE A 59 25.677 -26.660 -12.572 1.00 0.70 C ATOM 893 C PHE A 59 25.063 -25.946 -11.364 1.00 0.64 C ATOM 894 O PHE A 59 24.391 -26.578 -10.548 1.00 0.67 O ATOM 895 CB PHE A 59 27.188 -26.799 -12.392 1.00 0.85 C ATOM 896 CG PHE A 59 27.854 -27.592 -13.490 1.00 1.08 C ATOM 897 CD1 PHE A 59 27.452 -28.891 -13.766 1.00 1.28 C ATOM 898 CD2 PHE A 59 28.879 -27.041 -14.241 1.00 1.39 C ATOM 899 CE1 PHE A 59 28.060 -29.623 -14.768 1.00 1.58 C ATOM 900 CE2 PHE A 59 29.491 -27.769 -15.246 1.00 1.77 C ATOM 901 CZ PHE A 59 29.082 -29.062 -15.509 1.00 1.80 C ATOM 0 H PHE A 59 26.030 -25.224 -14.052 1.00 0.69 H new ATOM 0 HA PHE A 59 25.225 -27.650 -12.627 1.00 0.70 H new ATOM 0 HB2 PHE A 59 27.634 -25.805 -12.350 1.00 0.85 H new ATOM 0 HB3 PHE A 59 27.389 -27.279 -11.434 1.00 0.85 H new ATOM 0 HD1 PHE A 59 26.654 -29.336 -13.190 1.00 1.28 H new ATOM 0 HD2 PHE A 59 29.204 -26.031 -14.040 1.00 1.39 H new ATOM 0 HE1 PHE A 59 27.736 -30.633 -14.972 1.00 1.58 H new ATOM 0 HE2 PHE A 59 30.288 -27.326 -15.825 1.00 1.77 H new ATOM 0 HZ PHE A 59 29.560 -29.633 -16.292 1.00 1.80 H new ATOM 911 N ASP A 60 25.262 -24.628 -11.264 1.00 0.66 N ATOM 912 CA ASP A 60 24.925 -23.893 -10.037 1.00 0.72 C ATOM 913 C ASP A 60 23.416 -23.854 -9.789 1.00 0.71 C ATOM 914 O ASP A 60 22.967 -24.063 -8.665 1.00 0.86 O ATOM 915 CB ASP A 60 25.505 -22.463 -10.053 1.00 0.83 C ATOM 916 CG ASP A 60 24.601 -21.443 -10.719 1.00 1.54 C ATOM 917 OD1 ASP A 60 24.665 -21.311 -11.957 1.00 1.89 O ATOM 918 OD2 ASP A 60 23.829 -20.773 -10.007 1.00 2.19 O ATOM 0 H ASP A 60 25.651 -24.051 -12.010 1.00 0.66 H new ATOM 0 HA ASP A 60 25.385 -24.438 -9.213 1.00 0.72 H new ATOM 0 HB2 ASP A 60 25.699 -22.148 -9.028 1.00 0.83 H new ATOM 0 HB3 ASP A 60 26.465 -22.476 -10.569 1.00 0.83 H new ATOM 923 N ARG A 61 22.626 -23.614 -10.833 1.00 0.68 N ATOM 924 CA ARG A 61 21.177 -23.547 -10.673 1.00 0.80 C ATOM 925 C ARG A 61 20.574 -24.941 -10.557 1.00 0.75 C ATOM 926 O ARG A 61 19.374 -25.096 -10.341 1.00 0.92 O ATOM 927 CB ARG A 61 20.520 -22.767 -11.820 1.00 0.97 C ATOM 928 CG ARG A 61 20.895 -21.293 -11.836 1.00 1.23 C ATOM 929 CD ARG A 61 19.811 -20.437 -12.476 1.00 1.65 C ATOM 930 NE ARG A 61 19.626 -20.721 -13.901 1.00 1.75 N ATOM 931 CZ ARG A 61 18.438 -20.905 -14.481 1.00 2.15 C ATOM 932 NH1 ARG A 61 17.317 -20.820 -13.771 1.00 2.58 N ATOM 933 NH2 ARG A 61 18.377 -21.152 -15.780 1.00 2.78 N ATOM 0 H ARG A 61 22.959 -23.465 -11.785 1.00 0.68 H new ATOM 0 HA ARG A 61 20.976 -23.009 -9.746 1.00 0.80 H new ATOM 0 HB2 ARG A 61 20.808 -23.219 -12.769 1.00 0.97 H new ATOM 0 HB3 ARG A 61 19.437 -22.859 -11.739 1.00 0.97 H new ATOM 0 HG2 ARG A 61 21.071 -20.952 -10.816 1.00 1.23 H new ATOM 0 HG3 ARG A 61 21.830 -21.162 -12.381 1.00 1.23 H new ATOM 0 HD2 ARG A 61 18.869 -20.602 -11.953 1.00 1.65 H new ATOM 0 HD3 ARG A 61 20.065 -19.385 -12.351 1.00 1.65 H new ATOM 0 HE ARG A 61 20.458 -20.782 -14.488 1.00 1.75 H new ATOM 0 HH11 ARG A 61 17.360 -20.612 -12.773 1.00 2.58 H new ATOM 0 HH12 ARG A 61 16.414 -20.962 -14.224 1.00 2.58 H new ATOM 0 HH21 ARG A 61 19.234 -21.201 -16.331 1.00 2.78 H new ATOM 0 HH22 ARG A 61 17.473 -21.294 -16.230 1.00 2.78 H new ATOM 947 N ASN A 62 21.419 -25.955 -10.690 1.00 0.64 N ATOM 948 CA ASN A 62 20.992 -27.335 -10.500 1.00 0.68 C ATOM 949 C ASN A 62 21.183 -27.744 -9.043 1.00 0.73 C ATOM 950 O ASN A 62 20.301 -28.347 -8.433 1.00 0.89 O ATOM 951 CB ASN A 62 21.777 -28.271 -11.419 1.00 0.71 C ATOM 952 CG ASN A 62 21.381 -29.727 -11.248 1.00 0.83 C ATOM 953 OD1 ASN A 62 20.466 -30.211 -11.911 1.00 0.93 O ATOM 954 ND2 ASN A 62 22.069 -30.431 -10.362 1.00 1.10 N ATOM 0 H ASN A 62 22.405 -25.848 -10.929 1.00 0.64 H new ATOM 0 HA ASN A 62 19.935 -27.411 -10.754 1.00 0.68 H new ATOM 0 HB2 ASN A 62 21.617 -27.974 -12.456 1.00 0.71 H new ATOM 0 HB3 ASN A 62 22.843 -28.162 -11.217 1.00 0.71 H new ATOM 0 HD21 ASN A 62 21.847 -31.415 -10.209 1.00 1.10 H new ATOM 0 HD22 ASN A 62 22.821 -29.990 -9.833 1.00 1.10 H new ATOM 961 N VAL A 63 22.343 -27.411 -8.495 1.00 0.68 N ATOM 962 CA VAL A 63 22.642 -27.681 -7.098 1.00 0.83 C ATOM 963 C VAL A 63 23.699 -26.700 -6.575 1.00 0.62 C ATOM 964 O VAL A 63 24.842 -26.693 -7.034 1.00 0.64 O ATOM 965 CB VAL A 63 23.110 -29.148 -6.883 1.00 1.16 C ATOM 966 CG1 VAL A 63 24.312 -29.494 -7.750 1.00 1.76 C ATOM 967 CG2 VAL A 63 23.433 -29.409 -5.426 1.00 2.03 C ATOM 0 H VAL A 63 23.098 -26.949 -9.003 1.00 0.68 H new ATOM 0 HA VAL A 63 21.721 -27.542 -6.532 1.00 0.83 H new ATOM 0 HB VAL A 63 22.282 -29.790 -7.182 1.00 1.16 H new ATOM 0 HG11 VAL A 63 24.606 -30.528 -7.568 1.00 1.76 H new ATOM 0 HG12 VAL A 63 24.050 -29.370 -8.801 1.00 1.76 H new ATOM 0 HG13 VAL A 63 25.142 -28.832 -7.502 1.00 1.76 H new ATOM 0 HG21 VAL A 63 23.758 -30.442 -5.305 1.00 2.03 H new ATOM 0 HG22 VAL A 63 24.230 -28.738 -5.104 1.00 2.03 H new ATOM 0 HG23 VAL A 63 22.544 -29.234 -4.819 1.00 2.03 H new ATOM 977 N PRO A 64 23.308 -25.829 -5.638 1.00 0.91 N ATOM 978 CA PRO A 64 24.209 -24.843 -5.050 1.00 1.03 C ATOM 979 C PRO A 64 25.143 -25.461 -4.015 1.00 0.81 C ATOM 980 O PRO A 64 24.984 -26.623 -3.630 1.00 0.86 O ATOM 981 CB PRO A 64 23.267 -23.827 -4.386 1.00 1.53 C ATOM 982 CG PRO A 64 21.876 -24.263 -4.729 1.00 1.76 C ATOM 983 CD PRO A 64 21.959 -25.721 -5.085 1.00 1.40 C ATOM 0 HA PRO A 64 24.864 -24.399 -5.800 1.00 1.03 H new ATOM 0 HB2 PRO A 64 23.414 -23.807 -3.306 1.00 1.53 H new ATOM 0 HB3 PRO A 64 23.461 -22.819 -4.752 1.00 1.53 H new ATOM 0 HG2 PRO A 64 21.202 -24.108 -3.886 1.00 1.76 H new ATOM 0 HG3 PRO A 64 21.482 -23.682 -5.563 1.00 1.76 H new ATOM 0 HD2 PRO A 64 21.824 -26.361 -4.213 1.00 1.40 H new ATOM 0 HD3 PRO A 64 21.198 -26.007 -5.811 1.00 1.40 H new ATOM 991 N PHE A 65 26.110 -24.679 -3.560 1.00 0.68 N ATOM 992 CA PHE A 65 27.078 -25.151 -2.586 1.00 0.53 C ATOM 993 C PHE A 65 26.732 -24.619 -1.201 1.00 0.47 C ATOM 994 O PHE A 65 26.257 -23.488 -1.057 1.00 0.54 O ATOM 995 CB PHE A 65 28.490 -24.710 -2.992 1.00 0.62 C ATOM 996 CG PHE A 65 29.596 -25.355 -2.199 1.00 0.72 C ATOM 997 CD1 PHE A 65 29.978 -26.661 -2.462 1.00 1.06 C ATOM 998 CD2 PHE A 65 30.254 -24.657 -1.197 1.00 0.71 C ATOM 999 CE1 PHE A 65 30.994 -27.259 -1.744 1.00 1.31 C ATOM 1000 CE2 PHE A 65 31.273 -25.252 -0.475 1.00 0.95 C ATOM 1001 CZ PHE A 65 31.643 -26.554 -0.748 1.00 1.24 C ATOM 0 H PHE A 65 26.244 -23.711 -3.852 1.00 0.68 H new ATOM 0 HA PHE A 65 27.048 -26.240 -2.556 1.00 0.53 H new ATOM 0 HB2 PHE A 65 28.638 -24.935 -4.048 1.00 0.62 H new ATOM 0 HB3 PHE A 65 28.565 -23.628 -2.883 1.00 0.62 H new ATOM 0 HD1 PHE A 65 29.474 -27.218 -3.238 1.00 1.06 H new ATOM 0 HD2 PHE A 65 29.968 -23.639 -0.978 1.00 0.71 H new ATOM 0 HE1 PHE A 65 31.282 -28.277 -1.960 1.00 1.31 H new ATOM 0 HE2 PHE A 65 31.779 -24.698 0.302 1.00 0.95 H new ATOM 0 HZ PHE A 65 32.438 -27.020 -0.185 1.00 1.24 H new ATOM 1011 N LYS A 66 26.939 -25.448 -0.194 1.00 0.41 N ATOM 1012 CA LYS A 66 26.746 -25.044 1.187 1.00 0.39 C ATOM 1013 C LYS A 66 28.064 -25.175 1.929 1.00 0.38 C ATOM 1014 O LYS A 66 28.841 -26.094 1.656 1.00 0.48 O ATOM 1015 CB LYS A 66 25.644 -25.889 1.852 1.00 0.45 C ATOM 1016 CG LYS A 66 25.914 -27.387 1.872 1.00 0.60 C ATOM 1017 CD LYS A 66 26.709 -27.811 3.096 1.00 0.67 C ATOM 1018 CE LYS A 66 27.071 -29.277 3.025 1.00 0.93 C ATOM 1019 NZ LYS A 66 27.771 -29.750 4.247 1.00 1.36 N ATOM 0 H LYS A 66 27.244 -26.415 -0.309 1.00 0.41 H new ATOM 0 HA LYS A 66 26.421 -24.004 1.222 1.00 0.39 H new ATOM 0 HB2 LYS A 66 25.510 -25.544 2.877 1.00 0.45 H new ATOM 0 HB3 LYS A 66 24.704 -25.710 1.330 1.00 0.45 H new ATOM 0 HG2 LYS A 66 24.967 -27.925 1.852 1.00 0.60 H new ATOM 0 HG3 LYS A 66 26.460 -27.668 0.971 1.00 0.60 H new ATOM 0 HD2 LYS A 66 27.616 -27.212 3.170 1.00 0.67 H new ATOM 0 HD3 LYS A 66 26.126 -27.620 3.997 1.00 0.67 H new ATOM 0 HE2 LYS A 66 26.165 -29.865 2.879 1.00 0.93 H new ATOM 0 HE3 LYS A 66 27.707 -29.449 2.156 1.00 0.93 H new ATOM 0 HZ1 LYS A 66 27.997 -30.760 4.148 1.00 1.36 H new ATOM 0 HZ2 LYS A 66 28.650 -29.209 4.375 1.00 1.36 H new ATOM 0 HZ3 LYS A 66 27.156 -29.612 5.075 1.00 1.36 H new ATOM 1033 N PHE A 67 28.336 -24.266 2.848 1.00 0.39 N ATOM 1034 CA PHE A 67 29.613 -24.281 3.535 1.00 0.42 C ATOM 1035 C PHE A 67 29.454 -24.119 5.042 1.00 0.42 C ATOM 1036 O PHE A 67 28.364 -23.839 5.548 1.00 0.46 O ATOM 1037 CB PHE A 67 30.547 -23.197 2.969 1.00 0.46 C ATOM 1038 CG PHE A 67 30.056 -21.783 3.140 1.00 0.45 C ATOM 1039 CD1 PHE A 67 29.258 -21.186 2.177 1.00 0.55 C ATOM 1040 CD2 PHE A 67 30.412 -21.049 4.259 1.00 0.43 C ATOM 1041 CE1 PHE A 67 28.818 -19.885 2.329 1.00 0.57 C ATOM 1042 CE2 PHE A 67 29.978 -19.745 4.415 1.00 0.46 C ATOM 1043 CZ PHE A 67 29.180 -19.165 3.449 1.00 0.51 C ATOM 0 H PHE A 67 27.701 -23.520 3.132 1.00 0.39 H new ATOM 0 HA PHE A 67 30.063 -25.258 3.360 1.00 0.42 H new ATOM 0 HB2 PHE A 67 31.520 -23.289 3.451 1.00 0.46 H new ATOM 0 HB3 PHE A 67 30.699 -23.387 1.907 1.00 0.46 H new ATOM 0 HD1 PHE A 67 28.976 -21.745 1.297 1.00 0.55 H new ATOM 0 HD2 PHE A 67 31.035 -21.499 5.018 1.00 0.43 H new ATOM 0 HE1 PHE A 67 28.193 -19.433 1.573 1.00 0.57 H new ATOM 0 HE2 PHE A 67 30.263 -19.181 5.291 1.00 0.46 H new ATOM 0 HZ PHE A 67 28.839 -18.147 3.570 1.00 0.51 H new ATOM 1053 N HIS A 68 30.557 -24.334 5.740 1.00 0.42 N ATOM 1054 CA HIS A 68 30.633 -24.149 7.176 1.00 0.44 C ATOM 1055 C HIS A 68 31.391 -22.870 7.490 1.00 0.42 C ATOM 1056 O HIS A 68 32.280 -22.467 6.740 1.00 0.44 O ATOM 1057 CB HIS A 68 31.351 -25.335 7.826 1.00 0.53 C ATOM 1058 CG HIS A 68 30.438 -26.387 8.370 1.00 0.89 C ATOM 1059 ND1 HIS A 68 30.466 -26.784 9.687 1.00 1.68 N ATOM 1060 CD2 HIS A 68 29.488 -27.146 7.772 1.00 1.56 C ATOM 1061 CE1 HIS A 68 29.574 -27.735 9.880 1.00 1.98 C ATOM 1062 NE2 HIS A 68 28.965 -27.972 8.736 1.00 1.87 N ATOM 0 H HIS A 68 31.433 -24.645 5.319 1.00 0.42 H new ATOM 0 HA HIS A 68 29.620 -24.082 7.574 1.00 0.44 H new ATOM 0 HB2 HIS A 68 32.013 -25.791 7.090 1.00 0.53 H new ATOM 0 HB3 HIS A 68 31.981 -24.964 8.635 1.00 0.53 H new ATOM 0 HD2 HIS A 68 29.197 -27.108 6.733 1.00 1.56 H new ATOM 0 HE1 HIS A 68 29.376 -28.235 10.817 1.00 1.98 H new ATOM 0 HE2 HIS A 68 28.225 -28.658 8.590 1.00 1.87 H new ATOM 1071 N LEU A 69 31.041 -22.230 8.585 1.00 0.44 N ATOM 1072 CA LEU A 69 31.723 -21.015 8.983 1.00 0.47 C ATOM 1073 C LEU A 69 33.112 -21.343 9.513 1.00 0.49 C ATOM 1074 O LEU A 69 33.266 -22.237 10.350 1.00 0.58 O ATOM 1075 CB LEU A 69 30.909 -20.268 10.041 1.00 0.59 C ATOM 1076 CG LEU A 69 31.421 -18.875 10.401 1.00 0.71 C ATOM 1077 CD1 LEU A 69 31.560 -18.021 9.153 1.00 0.74 C ATOM 1078 CD2 LEU A 69 30.487 -18.209 11.397 1.00 0.95 C ATOM 0 H LEU A 69 30.294 -22.527 9.212 1.00 0.44 H new ATOM 0 HA LEU A 69 31.826 -20.370 8.110 1.00 0.47 H new ATOM 0 HB2 LEU A 69 29.882 -20.179 9.688 1.00 0.59 H new ATOM 0 HB3 LEU A 69 30.883 -20.872 10.948 1.00 0.59 H new ATOM 0 HG LEU A 69 32.404 -18.976 10.861 1.00 0.71 H new ATOM 0 HD11 LEU A 69 31.926 -17.032 9.428 1.00 0.74 H new ATOM 0 HD12 LEU A 69 32.265 -18.491 8.467 1.00 0.74 H new ATOM 0 HD13 LEU A 69 30.589 -17.926 8.667 1.00 0.74 H new ATOM 0 HD21 LEU A 69 30.866 -17.217 11.644 1.00 0.95 H new ATOM 0 HD22 LEU A 69 29.493 -18.120 10.960 1.00 0.95 H new ATOM 0 HD23 LEU A 69 30.432 -18.812 12.303 1.00 0.95 H new ATOM 1090 N GLU A 70 34.111 -20.632 8.992 1.00 0.59 N ATOM 1091 CA GLU A 70 35.504 -20.799 9.403 1.00 0.69 C ATOM 1092 C GLU A 70 36.034 -22.189 9.016 1.00 0.69 C ATOM 1093 O GLU A 70 36.899 -22.751 9.684 1.00 0.96 O ATOM 1094 CB GLU A 70 35.645 -20.554 10.911 1.00 0.95 C ATOM 1095 CG GLU A 70 37.082 -20.374 11.374 1.00 1.12 C ATOM 1096 CD GLU A 70 37.769 -19.207 10.696 1.00 1.47 C ATOM 1097 OE1 GLU A 70 37.672 -18.078 11.218 1.00 2.08 O ATOM 1098 OE2 GLU A 70 38.411 -19.418 9.646 1.00 1.79 O ATOM 0 H GLU A 70 33.977 -19.923 8.272 1.00 0.59 H new ATOM 0 HA GLU A 70 36.108 -20.061 8.876 1.00 0.69 H new ATOM 0 HB2 GLU A 70 35.073 -19.666 11.180 1.00 0.95 H new ATOM 0 HB3 GLU A 70 35.203 -21.393 11.448 1.00 0.95 H new ATOM 0 HG2 GLU A 70 37.096 -20.222 12.453 1.00 1.12 H new ATOM 0 HG3 GLU A 70 37.642 -21.287 11.173 1.00 1.12 H new ATOM 1105 N GLN A 71 35.530 -22.729 7.911 1.00 0.68 N ATOM 1106 CA GLN A 71 36.017 -24.012 7.401 1.00 0.86 C ATOM 1107 C GLN A 71 37.314 -23.834 6.610 1.00 0.83 C ATOM 1108 O GLN A 71 37.755 -24.745 5.908 1.00 0.96 O ATOM 1109 CB GLN A 71 34.960 -24.689 6.520 1.00 1.05 C ATOM 1110 CG GLN A 71 34.534 -23.866 5.315 1.00 0.96 C ATOM 1111 CD GLN A 71 33.569 -24.615 4.416 1.00 1.14 C ATOM 1112 OE1 GLN A 71 32.839 -25.495 4.866 1.00 1.98 O ATOM 1113 NE2 GLN A 71 33.532 -24.249 3.148 1.00 0.97 N ATOM 0 H GLN A 71 34.790 -22.304 7.353 1.00 0.68 H new ATOM 0 HA GLN A 71 36.218 -24.650 8.261 1.00 0.86 H new ATOM 0 HB2 GLN A 71 35.351 -25.645 6.173 1.00 1.05 H new ATOM 0 HB3 GLN A 71 34.081 -24.905 7.127 1.00 1.05 H new ATOM 0 HG2 GLN A 71 34.066 -22.942 5.656 1.00 0.96 H new ATOM 0 HG3 GLN A 71 35.416 -23.583 4.741 1.00 0.96 H new ATOM 0 HE21 GLN A 71 34.154 -23.514 2.811 1.00 0.97 H new ATOM 0 HE22 GLN A 71 32.882 -24.701 2.505 1.00 0.97 H new ATOM 1122 N GLY A 72 37.914 -22.659 6.725 1.00 0.72 N ATOM 1123 CA GLY A 72 39.154 -22.381 6.026 1.00 0.72 C ATOM 1124 C GLY A 72 38.933 -21.879 4.615 1.00 0.67 C ATOM 1125 O GLY A 72 39.842 -21.339 3.991 1.00 0.70 O ATOM 0 H GLY A 72 37.563 -21.888 7.293 1.00 0.72 H new ATOM 0 HA2 GLY A 72 39.723 -21.638 6.586 1.00 0.72 H new ATOM 0 HA3 GLY A 72 39.758 -23.287 5.994 1.00 0.72 H new ATOM 1129 N GLU A 73 37.723 -22.060 4.104 1.00 0.63 N ATOM 1130 CA GLU A 73 37.402 -21.638 2.747 1.00 0.62 C ATOM 1131 C GLU A 73 36.943 -20.186 2.726 1.00 0.57 C ATOM 1132 O GLU A 73 37.174 -19.464 1.763 1.00 0.66 O ATOM 1133 CB GLU A 73 36.298 -22.513 2.165 1.00 0.67 C ATOM 1134 CG GLU A 73 36.583 -24.003 2.220 1.00 0.73 C ATOM 1135 CD GLU A 73 37.783 -24.399 1.394 1.00 0.81 C ATOM 1136 OE1 GLU A 73 37.641 -24.532 0.167 1.00 0.97 O ATOM 1137 OE2 GLU A 73 38.869 -24.593 1.974 1.00 0.92 O ATOM 0 H GLU A 73 36.949 -22.495 4.607 1.00 0.63 H new ATOM 0 HA GLU A 73 38.306 -21.739 2.146 1.00 0.62 H new ATOM 0 HB2 GLU A 73 35.371 -22.313 2.703 1.00 0.67 H new ATOM 0 HB3 GLU A 73 36.133 -22.225 1.127 1.00 0.67 H new ATOM 0 HG2 GLU A 73 36.747 -24.299 3.256 1.00 0.73 H new ATOM 0 HG3 GLU A 73 35.708 -24.549 1.867 1.00 0.73 H new ATOM 1144 N VAL A 74 36.287 -19.763 3.797 1.00 0.50 N ATOM 1145 CA VAL A 74 35.723 -18.422 3.860 1.00 0.45 C ATOM 1146 C VAL A 74 36.650 -17.485 4.627 1.00 0.41 C ATOM 1147 O VAL A 74 37.078 -17.779 5.744 1.00 0.46 O ATOM 1148 CB VAL A 74 34.305 -18.431 4.481 1.00 0.50 C ATOM 1149 CG1 VAL A 74 33.344 -19.203 3.589 1.00 0.58 C ATOM 1150 CG2 VAL A 74 34.322 -19.030 5.880 1.00 0.55 C ATOM 0 H VAL A 74 36.132 -20.327 4.632 1.00 0.50 H new ATOM 0 HA VAL A 74 35.629 -18.052 2.839 1.00 0.45 H new ATOM 0 HB VAL A 74 33.964 -17.399 4.560 1.00 0.50 H new ATOM 0 HG11 VAL A 74 32.351 -19.202 4.037 1.00 0.58 H new ATOM 0 HG12 VAL A 74 33.300 -18.731 2.607 1.00 0.58 H new ATOM 0 HG13 VAL A 74 33.692 -20.230 3.482 1.00 0.58 H new ATOM 0 HG21 VAL A 74 33.312 -19.023 6.291 1.00 0.55 H new ATOM 0 HG22 VAL A 74 34.687 -20.056 5.832 1.00 0.55 H new ATOM 0 HG23 VAL A 74 34.978 -18.441 6.520 1.00 0.55 H new ATOM 1160 N ILE A 75 36.980 -16.369 4.002 1.00 0.38 N ATOM 1161 CA ILE A 75 37.932 -15.432 4.574 1.00 0.40 C ATOM 1162 C ILE A 75 37.243 -14.300 5.340 1.00 0.39 C ATOM 1163 O ILE A 75 37.213 -14.307 6.569 1.00 0.47 O ATOM 1164 CB ILE A 75 38.891 -14.841 3.507 1.00 0.45 C ATOM 1165 CG1 ILE A 75 38.154 -14.511 2.193 1.00 0.46 C ATOM 1166 CG2 ILE A 75 40.052 -15.799 3.252 1.00 0.53 C ATOM 1167 CD1 ILE A 75 38.023 -15.679 1.232 1.00 0.62 C ATOM 0 H ILE A 75 36.603 -16.089 3.097 1.00 0.38 H new ATOM 0 HA ILE A 75 38.525 -16.011 5.281 1.00 0.40 H new ATOM 0 HB ILE A 75 39.287 -13.904 3.898 1.00 0.45 H new ATOM 0 HG12 ILE A 75 37.157 -14.142 2.434 1.00 0.46 H new ATOM 0 HG13 ILE A 75 38.681 -13.701 1.690 1.00 0.46 H new ATOM 0 HG21 ILE A 75 40.717 -15.373 2.501 1.00 0.53 H new ATOM 0 HG22 ILE A 75 40.604 -15.957 4.179 1.00 0.53 H new ATOM 0 HG23 ILE A 75 39.665 -16.753 2.894 1.00 0.53 H new ATOM 0 HD11 ILE A 75 37.492 -15.356 0.337 1.00 0.62 H new ATOM 0 HD12 ILE A 75 39.015 -16.037 0.957 1.00 0.62 H new ATOM 0 HD13 ILE A 75 37.467 -16.485 1.712 1.00 0.62 H new ATOM 1179 N LYS A 76 36.688 -13.329 4.623 1.00 0.33 N ATOM 1180 CA LYS A 76 36.067 -12.172 5.271 1.00 0.35 C ATOM 1181 C LYS A 76 34.595 -12.024 4.900 1.00 0.29 C ATOM 1182 O LYS A 76 33.734 -12.029 5.776 1.00 0.31 O ATOM 1183 CB LYS A 76 36.817 -10.881 4.920 1.00 0.48 C ATOM 1184 CG LYS A 76 38.196 -10.770 5.557 1.00 0.62 C ATOM 1185 CD LYS A 76 38.214 -9.760 6.699 1.00 0.98 C ATOM 1186 CE LYS A 76 37.374 -10.215 7.884 1.00 1.18 C ATOM 1187 NZ LYS A 76 37.378 -9.219 8.990 1.00 2.04 N ATOM 0 H LYS A 76 36.653 -13.316 3.604 1.00 0.33 H new ATOM 0 HA LYS A 76 36.128 -12.347 6.345 1.00 0.35 H new ATOM 0 HB2 LYS A 76 36.923 -10.818 3.837 1.00 0.48 H new ATOM 0 HB3 LYS A 76 36.215 -10.028 5.232 1.00 0.48 H new ATOM 0 HG2 LYS A 76 38.503 -11.747 5.931 1.00 0.62 H new ATOM 0 HG3 LYS A 76 38.923 -10.476 4.800 1.00 0.62 H new ATOM 0 HD2 LYS A 76 39.242 -9.601 7.025 1.00 0.98 H new ATOM 0 HD3 LYS A 76 37.842 -8.801 6.339 1.00 0.98 H new ATOM 0 HE2 LYS A 76 36.349 -10.387 7.556 1.00 1.18 H new ATOM 0 HE3 LYS A 76 37.755 -11.167 8.253 1.00 1.18 H new ATOM 0 HZ1 LYS A 76 37.402 -9.715 9.904 1.00 2.04 H new ATOM 0 HZ2 LYS A 76 38.216 -8.609 8.905 1.00 2.04 H new ATOM 0 HZ3 LYS A 76 36.519 -8.636 8.935 1.00 2.04 H new ATOM 1201 N GLY A 77 34.316 -11.917 3.599 1.00 0.29 N ATOM 1202 CA GLY A 77 32.975 -11.584 3.131 1.00 0.30 C ATOM 1203 C GLY A 77 31.889 -12.473 3.709 1.00 0.27 C ATOM 1204 O GLY A 77 30.904 -11.982 4.258 1.00 0.32 O ATOM 0 H GLY A 77 35.000 -12.056 2.856 1.00 0.29 H new ATOM 0 HA2 GLY A 77 32.758 -10.547 3.387 1.00 0.30 H new ATOM 0 HA3 GLY A 77 32.951 -11.656 2.044 1.00 0.30 H new ATOM 1208 N TRP A 78 32.070 -13.776 3.590 1.00 0.24 N ATOM 1209 CA TRP A 78 31.080 -14.727 4.080 1.00 0.26 C ATOM 1210 C TRP A 78 31.129 -14.847 5.601 1.00 0.29 C ATOM 1211 O TRP A 78 30.091 -14.851 6.257 1.00 0.30 O ATOM 1212 CB TRP A 78 31.297 -16.103 3.449 1.00 0.28 C ATOM 1213 CG TRP A 78 31.222 -16.101 1.950 1.00 0.29 C ATOM 1214 CD1 TRP A 78 30.100 -16.240 1.178 1.00 0.32 C ATOM 1215 CD2 TRP A 78 32.317 -15.949 1.037 1.00 0.34 C ATOM 1216 NE1 TRP A 78 30.434 -16.186 -0.154 1.00 0.36 N ATOM 1217 CE2 TRP A 78 31.788 -16.009 -0.266 1.00 0.37 C ATOM 1218 CE3 TRP A 78 33.697 -15.772 1.199 1.00 0.40 C ATOM 1219 CZ2 TRP A 78 32.589 -15.893 -1.401 1.00 0.43 C ATOM 1220 CZ3 TRP A 78 34.489 -15.655 0.070 1.00 0.48 C ATOM 1221 CH2 TRP A 78 33.934 -15.716 -1.213 1.00 0.49 C ATOM 0 H TRP A 78 32.891 -14.202 3.160 1.00 0.24 H new ATOM 0 HA TRP A 78 30.097 -14.352 3.795 1.00 0.26 H new ATOM 0 HB2 TRP A 78 32.272 -16.483 3.754 1.00 0.28 H new ATOM 0 HB3 TRP A 78 30.550 -16.794 3.840 1.00 0.28 H new ATOM 0 HD1 TRP A 78 29.099 -16.373 1.560 1.00 0.32 H new ATOM 0 HE1 TRP A 78 29.780 -16.265 -0.933 1.00 0.36 H new ATOM 0 HE3 TRP A 78 34.134 -15.728 2.185 1.00 0.40 H new ATOM 0 HZ2 TRP A 78 32.164 -15.941 -2.393 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 35.554 -15.514 0.181 1.00 0.48 H new ATOM 0 HH2 TRP A 78 34.580 -15.621 -2.073 1.00 0.49 H new ATOM 1232 N ASP A 79 32.345 -14.912 6.144 1.00 0.35 N ATOM 1233 CA ASP A 79 32.572 -15.208 7.564 1.00 0.42 C ATOM 1234 C ASP A 79 31.755 -14.304 8.489 1.00 0.43 C ATOM 1235 O ASP A 79 31.021 -14.791 9.353 1.00 0.47 O ATOM 1236 CB ASP A 79 34.067 -15.084 7.887 1.00 0.52 C ATOM 1237 CG ASP A 79 34.365 -15.218 9.369 1.00 0.76 C ATOM 1238 OD1 ASP A 79 34.297 -16.346 9.904 1.00 1.14 O ATOM 1239 OD2 ASP A 79 34.708 -14.199 10.001 1.00 0.90 O ATOM 0 H ASP A 79 33.203 -14.761 5.613 1.00 0.35 H new ATOM 0 HA ASP A 79 32.238 -16.230 7.742 1.00 0.42 H new ATOM 0 HB2 ASP A 79 34.616 -15.851 7.341 1.00 0.52 H new ATOM 0 HB3 ASP A 79 34.431 -14.119 7.534 1.00 0.52 H new ATOM 1244 N ILE A 80 31.861 -12.998 8.287 1.00 0.45 N ATOM 1245 CA ILE A 80 31.168 -12.029 9.136 1.00 0.52 C ATOM 1246 C ILE A 80 29.652 -12.206 9.057 1.00 0.47 C ATOM 1247 O ILE A 80 28.971 -12.331 10.080 1.00 0.56 O ATOM 1248 CB ILE A 80 31.533 -10.566 8.751 1.00 0.63 C ATOM 1249 CG1 ILE A 80 32.915 -10.173 9.288 1.00 0.75 C ATOM 1250 CG2 ILE A 80 30.486 -9.588 9.268 1.00 0.78 C ATOM 1251 CD1 ILE A 80 34.060 -10.991 8.737 1.00 0.70 C ATOM 0 H ILE A 80 32.420 -12.581 7.543 1.00 0.45 H new ATOM 0 HA ILE A 80 31.498 -12.217 10.158 1.00 0.52 H new ATOM 0 HB ILE A 80 31.557 -10.517 7.662 1.00 0.63 H new ATOM 0 HG12 ILE A 80 33.094 -9.122 9.060 1.00 0.75 H new ATOM 0 HG13 ILE A 80 32.908 -10.267 10.374 1.00 0.75 H new ATOM 0 HG21 ILE A 80 30.765 -8.573 8.985 1.00 0.78 H new ATOM 0 HG22 ILE A 80 29.516 -9.831 8.835 1.00 0.78 H new ATOM 0 HG23 ILE A 80 30.427 -9.659 10.354 1.00 0.78 H new ATOM 0 HD11 ILE A 80 34.997 -10.644 9.171 1.00 0.70 H new ATOM 0 HD12 ILE A 80 33.911 -12.041 8.988 1.00 0.70 H new ATOM 0 HD13 ILE A 80 34.099 -10.879 7.653 1.00 0.70 H new ATOM 1263 N CYS A 81 29.130 -12.245 7.841 1.00 0.38 N ATOM 1264 CA CYS A 81 27.692 -12.219 7.634 1.00 0.40 C ATOM 1265 C CYS A 81 27.034 -13.532 8.063 1.00 0.35 C ATOM 1266 O CYS A 81 25.870 -13.538 8.458 1.00 0.42 O ATOM 1267 CB CYS A 81 27.377 -11.900 6.173 1.00 0.44 C ATOM 1268 SG CYS A 81 25.614 -11.689 5.823 1.00 0.55 S ATOM 0 H CYS A 81 29.681 -12.295 6.984 1.00 0.38 H new ATOM 0 HA CYS A 81 27.275 -11.432 8.263 1.00 0.40 H new ATOM 0 HB2 CYS A 81 27.904 -10.989 5.890 1.00 0.44 H new ATOM 0 HB3 CYS A 81 27.767 -12.701 5.546 1.00 0.44 H new ATOM 0 HG CYS A 81 24.916 -12.348 6.699 1.00 0.55 H new ATOM 1274 N VAL A 82 27.781 -14.631 8.009 1.00 0.30 N ATOM 1275 CA VAL A 82 27.254 -15.928 8.438 1.00 0.34 C ATOM 1276 C VAL A 82 26.980 -15.934 9.940 1.00 0.39 C ATOM 1277 O VAL A 82 25.960 -16.461 10.392 1.00 0.48 O ATOM 1278 CB VAL A 82 28.210 -17.087 8.078 1.00 0.36 C ATOM 1279 CG1 VAL A 82 27.766 -18.388 8.728 1.00 0.84 C ATOM 1280 CG2 VAL A 82 28.282 -17.267 6.574 1.00 0.73 C ATOM 0 H VAL A 82 28.745 -14.653 7.676 1.00 0.30 H new ATOM 0 HA VAL A 82 26.318 -16.082 7.902 1.00 0.34 H new ATOM 0 HB VAL A 82 29.199 -16.830 8.458 1.00 0.36 H new ATOM 0 HG11 VAL A 82 28.458 -19.185 8.456 1.00 0.84 H new ATOM 0 HG12 VAL A 82 27.757 -18.269 9.811 1.00 0.84 H new ATOM 0 HG13 VAL A 82 26.764 -18.644 8.383 1.00 0.84 H new ATOM 0 HG21 VAL A 82 28.960 -18.087 6.338 1.00 0.73 H new ATOM 0 HG22 VAL A 82 27.289 -17.494 6.187 1.00 0.73 H new ATOM 0 HG23 VAL A 82 28.649 -16.349 6.115 1.00 0.73 H new ATOM 1290 N SER A 83 27.873 -15.324 10.710 1.00 0.39 N ATOM 1291 CA SER A 83 27.697 -15.247 12.153 1.00 0.49 C ATOM 1292 C SER A 83 26.687 -14.154 12.500 1.00 0.48 C ATOM 1293 O SER A 83 26.262 -14.027 13.646 1.00 0.60 O ATOM 1294 CB SER A 83 29.040 -14.983 12.844 1.00 0.63 C ATOM 1295 OG SER A 83 28.930 -15.103 14.254 1.00 1.43 O ATOM 0 H SER A 83 28.721 -14.878 10.361 1.00 0.39 H new ATOM 0 HA SER A 83 27.313 -16.202 12.512 1.00 0.49 H new ATOM 0 HB2 SER A 83 29.785 -15.687 12.475 1.00 0.63 H new ATOM 0 HB3 SER A 83 29.392 -13.983 12.589 1.00 0.63 H new ATOM 0 HG SER A 83 28.202 -15.721 14.474 1.00 1.43 H new ATOM 1301 N SER A 84 26.288 -13.385 11.494 1.00 0.50 N ATOM 1302 CA SER A 84 25.327 -12.305 11.683 1.00 0.53 C ATOM 1303 C SER A 84 23.917 -12.758 11.291 1.00 0.51 C ATOM 1304 O SER A 84 23.036 -11.935 11.047 1.00 0.64 O ATOM 1305 CB SER A 84 25.731 -11.092 10.838 1.00 0.69 C ATOM 1306 OG SER A 84 27.049 -10.672 11.141 1.00 1.23 O ATOM 0 H SER A 84 26.617 -13.490 10.534 1.00 0.50 H new ATOM 0 HA SER A 84 25.324 -12.029 12.738 1.00 0.53 H new ATOM 0 HB2 SER A 84 25.661 -11.343 9.780 1.00 0.69 H new ATOM 0 HB3 SER A 84 25.035 -10.272 11.018 1.00 0.69 H new ATOM 0 HG SER A 84 27.690 -11.322 10.783 1.00 1.23 H new ATOM 1312 N MET A 85 23.708 -14.068 11.237 1.00 0.46 N ATOM 1313 CA MET A 85 22.425 -14.619 10.805 1.00 0.49 C ATOM 1314 C MET A 85 21.546 -15.003 11.993 1.00 0.49 C ATOM 1315 O MET A 85 21.875 -14.724 13.143 1.00 0.74 O ATOM 1316 CB MET A 85 22.646 -15.840 9.903 1.00 0.54 C ATOM 1317 CG MET A 85 23.270 -15.516 8.551 1.00 0.63 C ATOM 1318 SD MET A 85 22.107 -14.791 7.369 1.00 1.05 S ATOM 1319 CE MET A 85 21.838 -13.158 8.056 1.00 2.27 C ATOM 0 H MET A 85 24.407 -14.768 11.486 1.00 0.46 H new ATOM 0 HA MET A 85 21.908 -13.842 10.242 1.00 0.49 H new ATOM 0 HB2 MET A 85 23.286 -16.551 10.425 1.00 0.54 H new ATOM 0 HB3 MET A 85 21.688 -16.334 9.739 1.00 0.54 H new ATOM 0 HG2 MET A 85 24.101 -14.826 8.700 1.00 0.63 H new ATOM 0 HG3 MET A 85 23.686 -16.429 8.125 1.00 0.63 H new ATOM 0 HE1 MET A 85 21.691 -12.443 7.247 1.00 2.27 H new ATOM 0 HE2 MET A 85 20.953 -13.172 8.693 1.00 2.27 H new ATOM 0 HE3 MET A 85 22.706 -12.864 8.647 1.00 2.27 H new ATOM 1329 N ARG A 86 20.419 -15.634 11.692 1.00 0.45 N ATOM 1330 CA ARG A 86 19.477 -16.104 12.703 1.00 0.46 C ATOM 1331 C ARG A 86 18.642 -17.227 12.084 1.00 0.49 C ATOM 1332 O ARG A 86 18.633 -17.367 10.861 1.00 0.57 O ATOM 1333 CB ARG A 86 18.594 -14.937 13.180 1.00 0.49 C ATOM 1334 CG ARG A 86 17.720 -15.243 14.382 1.00 0.96 C ATOM 1335 CD ARG A 86 17.134 -13.967 14.970 1.00 1.24 C ATOM 1336 NE ARG A 86 18.135 -13.181 15.694 1.00 2.20 N ATOM 1337 CZ ARG A 86 18.457 -11.913 15.411 1.00 3.10 C ATOM 1338 NH1 ARG A 86 17.945 -11.302 14.346 1.00 3.34 N ATOM 1339 NH2 ARG A 86 19.330 -11.269 16.175 1.00 4.19 N ATOM 0 H ARG A 86 20.130 -15.836 10.735 1.00 0.45 H new ATOM 0 HA ARG A 86 20.003 -16.488 13.577 1.00 0.46 H new ATOM 0 HB2 ARG A 86 19.237 -14.091 13.423 1.00 0.49 H new ATOM 0 HB3 ARG A 86 17.954 -14.625 12.355 1.00 0.49 H new ATOM 0 HG2 ARG A 86 16.914 -15.916 14.088 1.00 0.96 H new ATOM 0 HG3 ARG A 86 18.307 -15.761 15.140 1.00 0.96 H new ATOM 0 HD2 ARG A 86 16.709 -13.362 14.169 1.00 1.24 H new ATOM 0 HD3 ARG A 86 16.317 -14.222 15.645 1.00 1.24 H new ATOM 0 HE ARG A 86 18.621 -13.632 16.469 1.00 2.20 H new ATOM 0 HH11 ARG A 86 17.299 -11.800 13.734 1.00 3.34 H new ATOM 0 HH12 ARG A 86 18.199 -10.335 14.142 1.00 3.34 H new ATOM 0 HH21 ARG A 86 19.753 -11.740 16.975 1.00 4.19 H new ATOM 0 HH22 ARG A 86 19.578 -10.303 15.963 1.00 4.19 H new ATOM 1353 N LYS A 87 17.959 -18.024 12.910 1.00 0.51 N ATOM 1354 CA LYS A 87 17.210 -19.193 12.423 1.00 0.59 C ATOM 1355 C LYS A 87 16.278 -18.835 11.260 1.00 0.59 C ATOM 1356 O LYS A 87 16.164 -19.585 10.291 1.00 0.74 O ATOM 1357 CB LYS A 87 16.387 -19.821 13.557 1.00 0.68 C ATOM 1358 CG LYS A 87 15.596 -21.052 13.131 1.00 0.84 C ATOM 1359 CD LYS A 87 16.455 -22.306 13.096 1.00 1.03 C ATOM 1360 CE LYS A 87 16.634 -22.910 14.481 1.00 1.26 C ATOM 1361 NZ LYS A 87 15.348 -23.382 15.053 1.00 1.94 N ATOM 0 H LYS A 87 17.907 -17.884 13.919 1.00 0.51 H new ATOM 0 HA LYS A 87 17.947 -19.911 12.063 1.00 0.59 H new ATOM 0 HB2 LYS A 87 17.057 -20.095 14.372 1.00 0.68 H new ATOM 0 HB3 LYS A 87 15.697 -19.074 13.949 1.00 0.68 H new ATOM 0 HG2 LYS A 87 14.764 -21.203 13.819 1.00 0.84 H new ATOM 0 HG3 LYS A 87 15.166 -20.881 12.144 1.00 0.84 H new ATOM 0 HD2 LYS A 87 15.996 -23.042 12.436 1.00 1.03 H new ATOM 0 HD3 LYS A 87 17.432 -22.065 12.676 1.00 1.03 H new ATOM 0 HE2 LYS A 87 17.334 -23.744 14.425 1.00 1.26 H new ATOM 0 HE3 LYS A 87 17.076 -22.168 15.146 1.00 1.26 H new ATOM 0 HZ1 LYS A 87 15.535 -24.095 15.787 1.00 1.94 H new ATOM 0 HZ2 LYS A 87 14.839 -22.578 15.473 1.00 1.94 H new ATOM 0 HZ3 LYS A 87 14.767 -23.804 14.300 1.00 1.94 H new ATOM 1375 N ASN A 88 15.623 -17.683 11.353 1.00 0.55 N ATOM 1376 CA ASN A 88 14.662 -17.272 10.332 1.00 0.66 C ATOM 1377 C ASN A 88 15.101 -15.969 9.678 1.00 0.60 C ATOM 1378 O ASN A 88 14.269 -15.147 9.301 1.00 0.71 O ATOM 1379 CB ASN A 88 13.264 -17.088 10.944 1.00 0.79 C ATOM 1380 CG ASN A 88 12.726 -18.343 11.601 1.00 0.96 C ATOM 1381 OD1 ASN A 88 12.121 -19.194 10.947 1.00 1.23 O ATOM 1382 ND2 ASN A 88 12.928 -18.457 12.906 1.00 1.20 N ATOM 0 H ASN A 88 15.738 -17.020 12.119 1.00 0.55 H new ATOM 0 HA ASN A 88 14.621 -18.057 9.577 1.00 0.66 H new ATOM 0 HB2 ASN A 88 13.301 -16.287 11.683 1.00 0.79 H new ATOM 0 HB3 ASN A 88 12.573 -16.770 10.164 1.00 0.79 H new ATOM 0 HD21 ASN A 88 12.577 -19.273 13.407 1.00 1.20 H new ATOM 0 HD22 ASN A 88 13.434 -17.729 13.409 1.00 1.20 H new ATOM 1389 N GLU A 89 16.407 -15.781 9.537 1.00 0.50 N ATOM 1390 CA GLU A 89 16.925 -14.529 9.004 1.00 0.46 C ATOM 1391 C GLU A 89 17.783 -14.781 7.765 1.00 0.47 C ATOM 1392 O GLU A 89 18.547 -15.745 7.712 1.00 0.65 O ATOM 1393 CB GLU A 89 17.713 -13.806 10.096 1.00 0.50 C ATOM 1394 CG GLU A 89 17.957 -12.332 9.828 1.00 0.48 C ATOM 1395 CD GLU A 89 17.873 -11.504 11.097 1.00 1.01 C ATOM 1396 OE1 GLU A 89 16.859 -11.628 11.827 1.00 1.38 O ATOM 1397 OE2 GLU A 89 18.819 -10.741 11.380 1.00 1.60 O ATOM 0 H GLU A 89 17.118 -16.470 9.781 1.00 0.50 H new ATOM 0 HA GLU A 89 16.095 -13.894 8.694 1.00 0.46 H new ATOM 0 HB2 GLU A 89 17.177 -13.906 11.040 1.00 0.50 H new ATOM 0 HB3 GLU A 89 18.675 -14.303 10.221 1.00 0.50 H new ATOM 0 HG2 GLU A 89 18.940 -12.203 9.375 1.00 0.48 H new ATOM 0 HG3 GLU A 89 17.224 -11.968 9.108 1.00 0.48 H new ATOM 1404 N LYS A 90 17.641 -13.908 6.773 1.00 0.39 N ATOM 1405 CA LYS A 90 18.312 -14.069 5.487 1.00 0.40 C ATOM 1406 C LYS A 90 18.692 -12.702 4.922 1.00 0.39 C ATOM 1407 O LYS A 90 17.855 -11.803 4.848 1.00 0.47 O ATOM 1408 CB LYS A 90 17.379 -14.833 4.528 1.00 0.50 C ATOM 1409 CG LYS A 90 17.906 -15.014 3.108 1.00 0.56 C ATOM 1410 CD LYS A 90 17.557 -13.830 2.220 1.00 0.93 C ATOM 1411 CE LYS A 90 17.932 -14.080 0.770 1.00 0.85 C ATOM 1412 NZ LYS A 90 17.126 -15.171 0.158 1.00 1.17 N ATOM 0 H LYS A 90 17.060 -13.072 6.837 1.00 0.39 H new ATOM 0 HA LYS A 90 19.231 -14.642 5.612 1.00 0.40 H new ATOM 0 HB2 LYS A 90 17.178 -15.817 4.951 1.00 0.50 H new ATOM 0 HB3 LYS A 90 16.426 -14.306 4.479 1.00 0.50 H new ATOM 0 HG2 LYS A 90 18.988 -15.141 3.136 1.00 0.56 H new ATOM 0 HG3 LYS A 90 17.489 -15.925 2.679 1.00 0.56 H new ATOM 0 HD2 LYS A 90 16.488 -13.627 2.289 1.00 0.93 H new ATOM 0 HD3 LYS A 90 18.074 -12.941 2.581 1.00 0.93 H new ATOM 0 HE2 LYS A 90 17.792 -13.163 0.198 1.00 0.85 H new ATOM 0 HE3 LYS A 90 18.990 -14.335 0.709 1.00 0.85 H new ATOM 0 HZ1 LYS A 90 17.132 -15.068 -0.877 1.00 1.17 H new ATOM 0 HZ2 LYS A 90 17.535 -16.092 0.417 1.00 1.17 H new ATOM 0 HZ3 LYS A 90 16.147 -15.117 0.506 1.00 1.17 H new ATOM 1426 N CYS A 91 19.948 -12.537 4.526 1.00 0.35 N ATOM 1427 CA CYS A 91 20.407 -11.260 3.997 1.00 0.38 C ATOM 1428 C CYS A 91 21.302 -11.445 2.772 1.00 0.32 C ATOM 1429 O CYS A 91 21.682 -12.567 2.424 1.00 0.37 O ATOM 1430 CB CYS A 91 21.152 -10.468 5.079 1.00 0.48 C ATOM 1431 SG CYS A 91 20.137 -10.056 6.522 1.00 1.20 S ATOM 0 H CYS A 91 20.661 -13.265 4.561 1.00 0.35 H new ATOM 0 HA CYS A 91 19.526 -10.699 3.686 1.00 0.38 H new ATOM 0 HB2 CYS A 91 22.015 -11.046 5.408 1.00 0.48 H new ATOM 0 HB3 CYS A 91 21.534 -9.546 4.641 1.00 0.48 H new ATOM 0 HG CYS A 91 20.852 -9.391 7.380 1.00 1.20 H new ATOM 1437 N LEU A 92 21.614 -10.330 2.117 1.00 0.31 N ATOM 1438 CA LEU A 92 22.520 -10.324 0.978 1.00 0.32 C ATOM 1439 C LEU A 92 23.860 -9.737 1.384 1.00 0.28 C ATOM 1440 O LEU A 92 23.920 -8.683 2.016 1.00 0.39 O ATOM 1441 CB LEU A 92 21.936 -9.507 -0.179 1.00 0.40 C ATOM 1442 CG LEU A 92 20.787 -10.169 -0.943 1.00 0.79 C ATOM 1443 CD1 LEU A 92 20.244 -9.234 -2.011 1.00 1.39 C ATOM 1444 CD2 LEU A 92 21.246 -11.470 -1.578 1.00 1.73 C ATOM 0 H LEU A 92 21.247 -9.410 2.361 1.00 0.31 H new ATOM 0 HA LEU A 92 22.656 -11.353 0.647 1.00 0.32 H new ATOM 0 HB2 LEU A 92 21.585 -8.553 0.215 1.00 0.40 H new ATOM 0 HB3 LEU A 92 22.737 -9.285 -0.884 1.00 0.40 H new ATOM 0 HG LEU A 92 19.991 -10.388 -0.232 1.00 0.79 H new ATOM 0 HD11 LEU A 92 19.428 -9.724 -2.543 1.00 1.39 H new ATOM 0 HD12 LEU A 92 19.876 -8.321 -1.543 1.00 1.39 H new ATOM 0 HD13 LEU A 92 21.038 -8.986 -2.715 1.00 1.39 H new ATOM 0 HD21 LEU A 92 20.415 -11.925 -2.116 1.00 1.73 H new ATOM 0 HD22 LEU A 92 22.061 -11.268 -2.273 1.00 1.73 H new ATOM 0 HD23 LEU A 92 21.592 -12.152 -0.801 1.00 1.73 H new ATOM 1456 N VAL A 93 24.929 -10.420 1.034 1.00 0.25 N ATOM 1457 CA VAL A 93 26.261 -9.949 1.357 1.00 0.25 C ATOM 1458 C VAL A 93 27.025 -9.552 0.090 1.00 0.23 C ATOM 1459 O VAL A 93 26.915 -10.207 -0.952 1.00 0.26 O ATOM 1460 CB VAL A 93 27.041 -11.019 2.155 1.00 0.34 C ATOM 1461 CG1 VAL A 93 27.154 -12.310 1.373 1.00 0.74 C ATOM 1462 CG2 VAL A 93 28.420 -10.523 2.535 1.00 0.60 C ATOM 0 H VAL A 93 24.903 -11.304 0.525 1.00 0.25 H new ATOM 0 HA VAL A 93 26.162 -9.061 1.982 1.00 0.25 H new ATOM 0 HB VAL A 93 26.479 -11.214 3.068 1.00 0.34 H new ATOM 0 HG11 VAL A 93 27.707 -13.043 1.959 1.00 0.74 H new ATOM 0 HG12 VAL A 93 26.157 -12.694 1.159 1.00 0.74 H new ATOM 0 HG13 VAL A 93 27.679 -12.123 0.436 1.00 0.74 H new ATOM 0 HG21 VAL A 93 28.944 -11.298 3.095 1.00 0.60 H new ATOM 0 HG22 VAL A 93 28.983 -10.285 1.632 1.00 0.60 H new ATOM 0 HG23 VAL A 93 28.328 -9.629 3.152 1.00 0.60 H new ATOM 1472 N ARG A 94 27.780 -8.462 0.184 1.00 0.25 N ATOM 1473 CA ARG A 94 28.554 -7.954 -0.944 1.00 0.30 C ATOM 1474 C ARG A 94 30.008 -8.398 -0.822 1.00 0.33 C ATOM 1475 O ARG A 94 30.719 -7.977 0.090 1.00 0.38 O ATOM 1476 CB ARG A 94 28.478 -6.421 -0.987 1.00 0.40 C ATOM 1477 CG ARG A 94 27.070 -5.880 -1.188 1.00 0.92 C ATOM 1478 CD ARG A 94 26.711 -5.765 -2.660 1.00 0.65 C ATOM 1479 NE ARG A 94 27.442 -4.674 -3.312 1.00 0.89 N ATOM 1480 CZ ARG A 94 26.954 -3.935 -4.313 1.00 1.05 C ATOM 1481 NH1 ARG A 94 25.743 -4.176 -4.802 1.00 1.71 N ATOM 1482 NH2 ARG A 94 27.676 -2.946 -4.820 1.00 1.58 N ATOM 0 H ARG A 94 27.873 -7.910 1.037 1.00 0.25 H new ATOM 0 HA ARG A 94 28.136 -8.356 -1.867 1.00 0.30 H new ATOM 0 HB2 ARG A 94 28.881 -6.021 -0.057 1.00 0.40 H new ATOM 0 HB3 ARG A 94 29.115 -6.058 -1.793 1.00 0.40 H new ATOM 0 HG2 ARG A 94 26.355 -6.535 -0.690 1.00 0.92 H new ATOM 0 HG3 ARG A 94 26.987 -4.901 -0.717 1.00 0.92 H new ATOM 0 HD2 ARG A 94 26.935 -6.705 -3.164 1.00 0.65 H new ATOM 0 HD3 ARG A 94 25.639 -5.596 -2.761 1.00 0.65 H new ATOM 0 HE ARG A 94 28.384 -4.466 -2.980 1.00 0.89 H new ATOM 0 HH11 ARG A 94 25.177 -4.930 -4.413 1.00 1.71 H new ATOM 0 HH12 ARG A 94 25.379 -3.607 -5.566 1.00 1.71 H new ATOM 0 HH21 ARG A 94 28.604 -2.749 -4.446 1.00 1.58 H new ATOM 0 HH22 ARG A 94 27.303 -2.382 -5.584 1.00 1.58 H new ATOM 1496 N ILE A 95 30.440 -9.256 -1.731 1.00 0.35 N ATOM 1497 CA ILE A 95 31.807 -9.754 -1.716 1.00 0.38 C ATOM 1498 C ILE A 95 32.642 -9.024 -2.758 1.00 0.41 C ATOM 1499 O ILE A 95 32.470 -9.216 -3.964 1.00 0.45 O ATOM 1500 CB ILE A 95 31.898 -11.287 -1.958 1.00 0.43 C ATOM 1501 CG1 ILE A 95 31.303 -12.067 -0.778 1.00 0.47 C ATOM 1502 CG2 ILE A 95 33.347 -11.715 -2.180 1.00 0.52 C ATOM 1503 CD1 ILE A 95 29.793 -12.060 -0.728 1.00 0.51 C ATOM 0 H ILE A 95 29.865 -9.623 -2.489 1.00 0.35 H new ATOM 0 HA ILE A 95 32.197 -9.561 -0.717 1.00 0.38 H new ATOM 0 HB ILE A 95 31.320 -11.514 -2.854 1.00 0.43 H new ATOM 0 HG12 ILE A 95 31.649 -13.100 -0.829 1.00 0.47 H new ATOM 0 HG13 ILE A 95 31.688 -11.647 0.151 1.00 0.47 H new ATOM 0 HG21 ILE A 95 33.387 -12.791 -2.347 1.00 0.52 H new ATOM 0 HG22 ILE A 95 33.750 -11.197 -3.050 1.00 0.52 H new ATOM 0 HG23 ILE A 95 33.940 -11.462 -1.301 1.00 0.52 H new ATOM 0 HD11 ILE A 95 29.455 -12.633 0.135 1.00 0.51 H new ATOM 0 HD12 ILE A 95 29.436 -11.033 -0.644 1.00 0.51 H new ATOM 0 HD13 ILE A 95 29.397 -12.508 -1.639 1.00 0.51 H new ATOM 1515 N GLU A 96 33.520 -8.158 -2.283 1.00 0.43 N ATOM 1516 CA GLU A 96 34.460 -7.467 -3.149 1.00 0.49 C ATOM 1517 C GLU A 96 35.677 -8.362 -3.370 1.00 0.45 C ATOM 1518 O GLU A 96 35.802 -9.401 -2.719 1.00 0.45 O ATOM 1519 CB GLU A 96 34.863 -6.129 -2.514 1.00 0.55 C ATOM 1520 CG GLU A 96 35.553 -5.162 -3.466 1.00 0.77 C ATOM 1521 CD GLU A 96 35.765 -3.796 -2.847 1.00 0.88 C ATOM 1522 OE1 GLU A 96 36.773 -3.609 -2.139 1.00 1.37 O ATOM 1523 OE2 GLU A 96 34.920 -2.902 -3.074 1.00 1.19 O ATOM 0 H GLU A 96 33.602 -7.915 -1.296 1.00 0.43 H new ATOM 0 HA GLU A 96 34.000 -7.255 -4.114 1.00 0.49 H new ATOM 0 HB2 GLU A 96 33.971 -5.649 -2.112 1.00 0.55 H new ATOM 0 HB3 GLU A 96 35.526 -6.326 -1.672 1.00 0.55 H new ATOM 0 HG2 GLU A 96 36.516 -5.576 -3.765 1.00 0.77 H new ATOM 0 HG3 GLU A 96 34.955 -5.059 -4.372 1.00 0.77 H new ATOM 1530 N SER A 97 36.569 -7.966 -4.271 1.00 0.49 N ATOM 1531 CA SER A 97 37.739 -8.776 -4.598 1.00 0.54 C ATOM 1532 C SER A 97 38.574 -9.086 -3.356 1.00 0.52 C ATOM 1533 O SER A 97 39.077 -10.195 -3.201 1.00 0.59 O ATOM 1534 CB SER A 97 38.596 -8.056 -5.642 1.00 0.64 C ATOM 1535 OG SER A 97 38.915 -6.739 -5.222 1.00 1.00 O ATOM 0 H SER A 97 36.505 -7.089 -4.788 1.00 0.49 H new ATOM 0 HA SER A 97 37.388 -9.724 -5.006 1.00 0.54 H new ATOM 0 HB2 SER A 97 39.514 -8.618 -5.814 1.00 0.64 H new ATOM 0 HB3 SER A 97 38.062 -8.019 -6.592 1.00 0.64 H new ATOM 0 HG SER A 97 39.464 -6.302 -5.906 1.00 1.00 H new ATOM 1541 N MET A 98 38.688 -8.111 -2.458 1.00 0.48 N ATOM 1542 CA MET A 98 39.501 -8.272 -1.258 1.00 0.53 C ATOM 1543 C MET A 98 38.786 -9.123 -0.209 1.00 0.49 C ATOM 1544 O MET A 98 39.369 -9.487 0.809 1.00 0.58 O ATOM 1545 CB MET A 98 39.876 -6.905 -0.671 1.00 0.59 C ATOM 1546 CG MET A 98 38.692 -6.105 -0.153 1.00 0.57 C ATOM 1547 SD MET A 98 39.183 -4.515 0.541 1.00 0.79 S ATOM 1548 CE MET A 98 39.802 -3.678 -0.919 1.00 1.79 C ATOM 0 H MET A 98 38.229 -7.204 -2.539 1.00 0.48 H new ATOM 0 HA MET A 98 40.415 -8.792 -1.546 1.00 0.53 H new ATOM 0 HB2 MET A 98 40.584 -7.054 0.144 1.00 0.59 H new ATOM 0 HB3 MET A 98 40.388 -6.321 -1.436 1.00 0.59 H new ATOM 0 HG2 MET A 98 37.985 -5.940 -0.966 1.00 0.57 H new ATOM 0 HG3 MET A 98 38.171 -6.685 0.609 1.00 0.57 H new ATOM 0 HE1 MET A 98 39.628 -2.606 -0.825 1.00 1.79 H new ATOM 0 HE2 MET A 98 40.871 -3.865 -1.020 1.00 1.79 H new ATOM 0 HE3 MET A 98 39.283 -4.054 -1.801 1.00 1.79 H new ATOM 1558 N TYR A 99 37.521 -9.441 -0.455 1.00 0.41 N ATOM 1559 CA TYR A 99 36.749 -10.246 0.482 1.00 0.43 C ATOM 1560 C TYR A 99 36.747 -11.708 0.054 1.00 0.49 C ATOM 1561 O TYR A 99 36.108 -12.549 0.696 1.00 0.48 O ATOM 1562 CB TYR A 99 35.310 -9.737 0.585 1.00 0.43 C ATOM 1563 CG TYR A 99 35.192 -8.337 1.145 1.00 0.46 C ATOM 1564 CD1 TYR A 99 36.160 -7.820 1.995 1.00 0.51 C ATOM 1565 CD2 TYR A 99 34.107 -7.532 0.821 1.00 0.53 C ATOM 1566 CE1 TYR A 99 36.053 -6.539 2.501 1.00 0.59 C ATOM 1567 CE2 TYR A 99 33.994 -6.250 1.325 1.00 0.62 C ATOM 1568 CZ TYR A 99 34.968 -5.757 2.165 1.00 0.63 C ATOM 1569 OH TYR A 99 34.856 -4.481 2.669 1.00 0.75 O ATOM 0 H TYR A 99 37.011 -9.155 -1.291 1.00 0.41 H new ATOM 0 HA TYR A 99 37.220 -10.161 1.461 1.00 0.43 H new ATOM 0 HB2 TYR A 99 34.855 -9.761 -0.405 1.00 0.43 H new ATOM 0 HB3 TYR A 99 34.738 -10.419 1.215 1.00 0.43 H new ATOM 0 HD1 TYR A 99 37.010 -8.429 2.265 1.00 0.51 H new ATOM 0 HD2 TYR A 99 33.339 -7.914 0.165 1.00 0.53 H new ATOM 0 HE1 TYR A 99 36.817 -6.151 3.158 1.00 0.59 H new ATOM 0 HE2 TYR A 99 33.145 -5.637 1.061 1.00 0.62 H new ATOM 0 HH TYR A 99 34.034 -4.067 2.332 1.00 0.75 H new ATOM 1579 N GLY A 100 37.454 -11.996 -1.031 1.00 0.60 N ATOM 1580 CA GLY A 100 37.547 -13.350 -1.531 1.00 0.71 C ATOM 1581 C GLY A 100 38.971 -13.719 -1.888 1.00 0.67 C ATOM 1582 O GLY A 100 39.916 -13.168 -1.321 1.00 0.67 O ATOM 0 H GLY A 100 37.969 -11.306 -1.578 1.00 0.60 H new ATOM 0 HA2 GLY A 100 37.169 -14.042 -0.779 1.00 0.71 H new ATOM 0 HA3 GLY A 100 36.912 -13.458 -2.410 1.00 0.71 H new ATOM 1586 N TYR A 101 39.126 -14.641 -2.830 1.00 0.76 N ATOM 1587 CA TYR A 101 40.448 -15.071 -3.268 1.00 0.86 C ATOM 1588 C TYR A 101 40.844 -14.367 -4.560 1.00 0.93 C ATOM 1589 O TYR A 101 41.730 -13.511 -4.571 1.00 1.52 O ATOM 1590 CB TYR A 101 40.483 -16.589 -3.469 1.00 1.01 C ATOM 1591 CG TYR A 101 40.381 -17.379 -2.185 1.00 0.86 C ATOM 1592 CD1 TYR A 101 39.145 -17.729 -1.659 1.00 0.75 C ATOM 1593 CD2 TYR A 101 41.524 -17.777 -1.502 1.00 1.09 C ATOM 1594 CE1 TYR A 101 39.053 -18.451 -0.485 1.00 0.74 C ATOM 1595 CE2 TYR A 101 41.435 -18.499 -0.330 1.00 1.14 C ATOM 1596 CZ TYR A 101 40.199 -18.832 0.174 1.00 0.92 C ATOM 1597 OH TYR A 101 40.106 -19.550 1.341 1.00 1.09 O ATOM 0 H TYR A 101 38.352 -15.106 -3.306 1.00 0.76 H new ATOM 0 HA TYR A 101 41.163 -14.803 -2.490 1.00 0.86 H new ATOM 0 HB2 TYR A 101 39.664 -16.877 -4.128 1.00 1.01 H new ATOM 0 HB3 TYR A 101 41.410 -16.857 -3.977 1.00 1.01 H new ATOM 0 HD1 TYR A 101 38.243 -17.433 -2.174 1.00 0.75 H new ATOM 0 HD2 TYR A 101 42.496 -17.517 -1.895 1.00 1.09 H new ATOM 0 HE1 TYR A 101 38.085 -18.715 -0.086 1.00 0.74 H new ATOM 0 HE2 TYR A 101 42.332 -18.802 0.190 1.00 1.14 H new ATOM 0 HH TYR A 101 39.173 -19.567 1.641 1.00 1.09 H new ATOM 1681 N SER A 109 32.987 -19.188 -8.264 1.00 0.97 N ATOM 1682 CA SER A 109 32.117 -18.985 -9.406 1.00 0.88 C ATOM 1683 C SER A 109 32.851 -18.209 -10.500 1.00 0.77 C ATOM 1684 O SER A 109 33.279 -18.789 -11.492 1.00 0.85 O ATOM 1685 CB SER A 109 30.854 -18.244 -8.968 1.00 0.92 C ATOM 1686 OG SER A 109 30.272 -18.858 -7.827 1.00 1.52 O ATOM 0 HA SER A 109 31.829 -19.954 -9.814 1.00 0.88 H new ATOM 0 HB2 SER A 109 31.097 -17.206 -8.742 1.00 0.92 H new ATOM 0 HB3 SER A 109 30.133 -18.232 -9.786 1.00 0.92 H new ATOM 0 HG SER A 109 30.959 -19.356 -7.337 1.00 1.52 H new ATOM 1692 N ILE A 110 33.023 -16.903 -10.291 1.00 0.68 N ATOM 1693 CA ILE A 110 33.773 -16.050 -11.217 1.00 0.65 C ATOM 1694 C ILE A 110 34.342 -14.832 -10.486 1.00 0.63 C ATOM 1695 O ILE A 110 33.934 -13.698 -10.731 1.00 0.75 O ATOM 1696 CB ILE A 110 32.936 -15.548 -12.435 1.00 0.64 C ATOM 1697 CG1 ILE A 110 31.555 -15.008 -12.007 1.00 0.66 C ATOM 1698 CG2 ILE A 110 32.795 -16.632 -13.494 1.00 0.72 C ATOM 1699 CD1 ILE A 110 30.492 -16.068 -11.812 1.00 0.74 C ATOM 0 H ILE A 110 32.650 -16.408 -9.481 1.00 0.68 H new ATOM 0 HA ILE A 110 34.571 -16.682 -11.606 1.00 0.65 H new ATOM 0 HB ILE A 110 33.485 -14.716 -12.875 1.00 0.64 H new ATOM 0 HG12 ILE A 110 31.670 -14.453 -11.076 1.00 0.66 H new ATOM 0 HG13 ILE A 110 31.208 -14.300 -12.759 1.00 0.66 H new ATOM 0 HG21 ILE A 110 32.207 -16.251 -14.329 1.00 0.72 H new ATOM 0 HG22 ILE A 110 33.783 -16.924 -13.850 1.00 0.72 H new ATOM 0 HG23 ILE A 110 32.294 -17.499 -13.063 1.00 0.72 H new ATOM 0 HD11 ILE A 110 29.557 -15.595 -11.512 1.00 0.74 H new ATOM 0 HD12 ILE A 110 30.342 -16.609 -12.746 1.00 0.74 H new ATOM 0 HD13 ILE A 110 30.811 -16.765 -11.037 1.00 0.74 H new ATOM 1711 N PRO A 111 35.283 -15.045 -9.557 1.00 0.70 N ATOM 1712 CA PRO A 111 35.867 -13.979 -8.754 1.00 0.78 C ATOM 1713 C PRO A 111 37.133 -13.386 -9.378 1.00 0.79 C ATOM 1714 O PRO A 111 38.171 -13.298 -8.725 1.00 1.58 O ATOM 1715 CB PRO A 111 36.196 -14.694 -7.433 1.00 1.10 C ATOM 1716 CG PRO A 111 36.101 -16.169 -7.707 1.00 1.22 C ATOM 1717 CD PRO A 111 35.853 -16.338 -9.184 1.00 0.89 C ATOM 0 HA PRO A 111 35.194 -13.128 -8.649 1.00 0.78 H new ATOM 0 HB2 PRO A 111 37.195 -14.428 -7.087 1.00 1.10 H new ATOM 0 HB3 PRO A 111 35.498 -14.400 -6.649 1.00 1.10 H new ATOM 0 HG2 PRO A 111 37.021 -16.674 -7.412 1.00 1.22 H new ATOM 0 HG3 PRO A 111 35.292 -16.616 -7.128 1.00 1.22 H new ATOM 0 HD2 PRO A 111 36.773 -16.549 -9.729 1.00 0.89 H new ATOM 0 HD3 PRO A 111 35.166 -17.159 -9.389 1.00 0.89 H new ATOM 1725 N GLY A 112 37.040 -12.951 -10.631 1.00 0.95 N ATOM 1726 CA GLY A 112 38.190 -12.361 -11.301 1.00 1.02 C ATOM 1727 C GLY A 112 38.397 -10.910 -10.906 1.00 1.09 C ATOM 1728 O GLY A 112 38.294 -10.015 -11.745 1.00 2.05 O ATOM 0 H GLY A 112 36.191 -12.995 -11.195 1.00 0.95 H new ATOM 0 HA2 GLY A 112 39.085 -12.934 -11.057 1.00 1.02 H new ATOM 0 HA3 GLY A 112 38.054 -12.427 -12.380 1.00 1.02 H new ATOM 1732 N ASN A 113 38.688 -10.690 -9.622 1.00 0.74 N ATOM 1733 CA ASN A 113 38.799 -9.343 -9.052 1.00 0.84 C ATOM 1734 C ASN A 113 37.563 -8.523 -9.385 1.00 0.75 C ATOM 1735 O ASN A 113 37.616 -7.556 -10.144 1.00 1.00 O ATOM 1736 CB ASN A 113 40.069 -8.621 -9.519 1.00 1.00 C ATOM 1737 CG ASN A 113 41.313 -9.102 -8.794 1.00 1.49 C ATOM 1738 OD1 ASN A 113 41.409 -10.265 -8.404 1.00 2.03 O ATOM 1739 ND2 ASN A 113 42.271 -8.206 -8.600 1.00 1.79 N ATOM 0 H ASN A 113 38.853 -11.438 -8.948 1.00 0.74 H new ATOM 0 HA ASN A 113 38.871 -9.452 -7.970 1.00 0.84 H new ATOM 0 HB2 ASN A 113 40.196 -8.773 -10.591 1.00 1.00 H new ATOM 0 HB3 ASN A 113 39.952 -7.549 -9.361 1.00 1.00 H new ATOM 0 HD21 ASN A 113 43.126 -8.471 -8.112 1.00 1.79 H new ATOM 0 HD22 ASN A 113 42.153 -7.251 -8.939 1.00 1.79 H new ATOM 1746 N SER A 114 36.440 -8.942 -8.829 1.00 0.57 N ATOM 1747 CA SER A 114 35.169 -8.303 -9.098 1.00 0.58 C ATOM 1748 C SER A 114 34.300 -8.320 -7.848 1.00 0.50 C ATOM 1749 O SER A 114 34.619 -9.003 -6.873 1.00 0.59 O ATOM 1750 CB SER A 114 34.465 -9.025 -10.248 1.00 0.65 C ATOM 1751 OG SER A 114 35.252 -8.996 -11.427 1.00 1.14 O ATOM 0 H SER A 114 36.386 -9.729 -8.183 1.00 0.57 H new ATOM 0 HA SER A 114 35.341 -7.265 -9.384 1.00 0.58 H new ATOM 0 HB2 SER A 114 34.266 -10.059 -9.965 1.00 0.65 H new ATOM 0 HB3 SER A 114 33.500 -8.556 -10.440 1.00 0.65 H new ATOM 0 HG SER A 114 34.781 -9.465 -12.147 1.00 1.14 H new ATOM 1757 N VAL A 115 33.214 -7.566 -7.882 1.00 0.44 N ATOM 1758 CA VAL A 115 32.286 -7.521 -6.766 1.00 0.38 C ATOM 1759 C VAL A 115 31.066 -8.398 -7.051 1.00 0.31 C ATOM 1760 O VAL A 115 30.446 -8.301 -8.116 1.00 0.31 O ATOM 1761 CB VAL A 115 31.848 -6.069 -6.448 1.00 0.44 C ATOM 1762 CG1 VAL A 115 31.206 -5.403 -7.656 1.00 0.48 C ATOM 1763 CG2 VAL A 115 30.903 -6.041 -5.259 1.00 0.42 C ATOM 0 H VAL A 115 32.954 -6.976 -8.672 1.00 0.44 H new ATOM 0 HA VAL A 115 32.803 -7.910 -5.889 1.00 0.38 H new ATOM 0 HB VAL A 115 32.744 -5.503 -6.193 1.00 0.44 H new ATOM 0 HG11 VAL A 115 30.911 -4.386 -7.397 1.00 0.48 H new ATOM 0 HG12 VAL A 115 31.921 -5.375 -8.479 1.00 0.48 H new ATOM 0 HG13 VAL A 115 30.326 -5.970 -7.959 1.00 0.48 H new ATOM 0 HG21 VAL A 115 30.608 -5.012 -5.053 1.00 0.42 H new ATOM 0 HG22 VAL A 115 30.017 -6.634 -5.484 1.00 0.42 H new ATOM 0 HG23 VAL A 115 31.405 -6.456 -4.385 1.00 0.42 H new ATOM 1773 N LEU A 116 30.750 -9.278 -6.112 1.00 0.28 N ATOM 1774 CA LEU A 116 29.606 -10.170 -6.249 1.00 0.25 C ATOM 1775 C LEU A 116 28.652 -9.991 -5.073 1.00 0.28 C ATOM 1776 O LEU A 116 28.981 -9.323 -4.093 1.00 0.37 O ATOM 1777 CB LEU A 116 30.049 -11.641 -6.317 1.00 0.30 C ATOM 1778 CG LEU A 116 30.981 -12.014 -7.477 1.00 0.33 C ATOM 1779 CD1 LEU A 116 32.433 -11.690 -7.149 1.00 0.51 C ATOM 1780 CD2 LEU A 116 30.827 -13.485 -7.820 1.00 0.50 C ATOM 0 H LEU A 116 31.272 -9.394 -5.243 1.00 0.28 H new ATOM 0 HA LEU A 116 29.099 -9.913 -7.179 1.00 0.25 H new ATOM 0 HB2 LEU A 116 30.549 -11.892 -5.381 1.00 0.30 H new ATOM 0 HB3 LEU A 116 29.157 -12.265 -6.379 1.00 0.30 H new ATOM 0 HG LEU A 116 30.697 -11.417 -8.344 1.00 0.33 H new ATOM 0 HD11 LEU A 116 33.067 -11.966 -7.992 1.00 0.51 H new ATOM 0 HD12 LEU A 116 32.533 -10.622 -6.955 1.00 0.51 H new ATOM 0 HD13 LEU A 116 32.740 -12.249 -6.265 1.00 0.51 H new ATOM 0 HD21 LEU A 116 31.493 -13.738 -8.645 1.00 0.50 H new ATOM 0 HD22 LEU A 116 31.081 -14.090 -6.950 1.00 0.50 H new ATOM 0 HD23 LEU A 116 29.796 -13.684 -8.112 1.00 0.50 H new ATOM 1792 N LEU A 117 27.468 -10.575 -5.180 1.00 0.31 N ATOM 1793 CA LEU A 117 26.504 -10.569 -4.087 1.00 0.38 C ATOM 1794 C LEU A 117 25.913 -11.955 -3.928 1.00 0.31 C ATOM 1795 O LEU A 117 25.494 -12.567 -4.912 1.00 0.38 O ATOM 1796 CB LEU A 117 25.362 -9.566 -4.316 1.00 0.61 C ATOM 1797 CG LEU A 117 25.574 -8.509 -5.401 1.00 0.38 C ATOM 1798 CD1 LEU A 117 25.303 -9.091 -6.778 1.00 0.70 C ATOM 1799 CD2 LEU A 117 24.678 -7.312 -5.148 1.00 0.59 C ATOM 0 H LEU A 117 27.149 -11.062 -6.018 1.00 0.31 H new ATOM 0 HA LEU A 117 27.039 -10.267 -3.187 1.00 0.38 H new ATOM 0 HB2 LEU A 117 24.461 -10.128 -4.562 1.00 0.61 H new ATOM 0 HB3 LEU A 117 25.169 -9.051 -3.375 1.00 0.61 H new ATOM 0 HG LEU A 117 26.614 -8.183 -5.367 1.00 0.38 H new ATOM 0 HD11 LEU A 117 25.460 -8.323 -7.535 1.00 0.70 H new ATOM 0 HD12 LEU A 117 25.982 -9.924 -6.961 1.00 0.70 H new ATOM 0 HD13 LEU A 117 24.273 -9.444 -6.827 1.00 0.70 H new ATOM 0 HD21 LEU A 117 24.838 -6.567 -5.927 1.00 0.59 H new ATOM 0 HD22 LEU A 117 23.635 -7.629 -5.158 1.00 0.59 H new ATOM 0 HD23 LEU A 117 24.916 -6.878 -4.177 1.00 0.59 H new ATOM 1811 N PHE A 118 25.882 -12.450 -2.701 1.00 0.30 N ATOM 1812 CA PHE A 118 25.328 -13.767 -2.432 1.00 0.34 C ATOM 1813 C PHE A 118 24.308 -13.708 -1.307 1.00 0.34 C ATOM 1814 O PHE A 118 24.451 -12.928 -0.363 1.00 0.37 O ATOM 1815 CB PHE A 118 26.431 -14.759 -2.053 1.00 0.43 C ATOM 1816 CG PHE A 118 27.517 -14.893 -3.084 1.00 0.37 C ATOM 1817 CD1 PHE A 118 27.221 -15.266 -4.385 1.00 0.39 C ATOM 1818 CD2 PHE A 118 28.838 -14.657 -2.743 1.00 0.38 C ATOM 1819 CE1 PHE A 118 28.223 -15.397 -5.324 1.00 0.38 C ATOM 1820 CE2 PHE A 118 29.844 -14.786 -3.680 1.00 0.40 C ATOM 1821 CZ PHE A 118 29.535 -15.157 -4.973 1.00 0.38 C ATOM 0 H PHE A 118 26.233 -11.961 -1.878 1.00 0.30 H new ATOM 0 HA PHE A 118 24.838 -14.105 -3.345 1.00 0.34 H new ATOM 0 HB2 PHE A 118 26.878 -14.446 -1.109 1.00 0.43 H new ATOM 0 HB3 PHE A 118 25.982 -15.738 -1.884 1.00 0.43 H new ATOM 0 HD1 PHE A 118 26.196 -15.456 -4.667 1.00 0.39 H new ATOM 0 HD2 PHE A 118 29.085 -14.369 -1.732 1.00 0.38 H new ATOM 0 HE1 PHE A 118 27.980 -15.688 -6.335 1.00 0.38 H new ATOM 0 HE2 PHE A 118 30.870 -14.597 -3.402 1.00 0.40 H new ATOM 0 HZ PHE A 118 30.319 -15.259 -5.709 1.00 0.38 H new ATOM 1831 N GLU A 119 23.272 -14.516 -1.432 1.00 0.33 N ATOM 1832 CA GLU A 119 22.322 -14.716 -0.354 1.00 0.37 C ATOM 1833 C GLU A 119 22.962 -15.598 0.702 1.00 0.34 C ATOM 1834 O GLU A 119 23.477 -16.663 0.379 1.00 0.47 O ATOM 1835 CB GLU A 119 21.053 -15.415 -0.867 1.00 0.56 C ATOM 1836 CG GLU A 119 20.457 -14.824 -2.134 1.00 0.82 C ATOM 1837 CD GLU A 119 19.196 -15.556 -2.558 1.00 1.18 C ATOM 1838 OE1 GLU A 119 19.308 -16.635 -3.177 1.00 1.43 O ATOM 1839 OE2 GLU A 119 18.087 -15.047 -2.298 1.00 1.46 O ATOM 0 H GLU A 119 23.066 -15.049 -2.277 1.00 0.33 H new ATOM 0 HA GLU A 119 22.050 -13.744 0.058 1.00 0.37 H new ATOM 0 HB2 GLU A 119 21.284 -16.465 -1.048 1.00 0.56 H new ATOM 0 HB3 GLU A 119 20.298 -15.386 -0.081 1.00 0.56 H new ATOM 0 HG2 GLU A 119 20.229 -13.771 -1.971 1.00 0.82 H new ATOM 0 HG3 GLU A 119 21.192 -14.870 -2.938 1.00 0.82 H new ATOM 1846 N ILE A 120 22.945 -15.168 1.948 1.00 0.29 N ATOM 1847 CA ILE A 120 23.398 -16.031 3.026 1.00 0.31 C ATOM 1848 C ILE A 120 22.197 -16.503 3.825 1.00 0.31 C ATOM 1849 O ILE A 120 21.428 -15.700 4.353 1.00 0.33 O ATOM 1850 CB ILE A 120 24.432 -15.354 3.958 1.00 0.34 C ATOM 1851 CG1 ILE A 120 25.727 -15.062 3.184 1.00 0.33 C ATOM 1852 CG2 ILE A 120 24.720 -16.247 5.162 1.00 0.48 C ATOM 1853 CD1 ILE A 120 26.862 -14.551 4.051 1.00 0.39 C ATOM 0 H ILE A 120 22.629 -14.243 2.238 1.00 0.29 H new ATOM 0 HA ILE A 120 23.910 -16.879 2.571 1.00 0.31 H new ATOM 0 HB ILE A 120 24.020 -14.411 4.317 1.00 0.34 H new ATOM 0 HG12 ILE A 120 26.050 -15.973 2.680 1.00 0.33 H new ATOM 0 HG13 ILE A 120 25.516 -14.326 2.408 1.00 0.33 H new ATOM 0 HG21 ILE A 120 25.449 -15.760 5.810 1.00 0.48 H new ATOM 0 HG22 ILE A 120 23.798 -16.418 5.717 1.00 0.48 H new ATOM 0 HG23 ILE A 120 25.120 -17.202 4.820 1.00 0.48 H new ATOM 0 HD11 ILE A 120 27.740 -14.369 3.431 1.00 0.39 H new ATOM 0 HD12 ILE A 120 26.560 -13.622 4.535 1.00 0.39 H new ATOM 0 HD13 ILE A 120 27.103 -15.294 4.811 1.00 0.39 H new ATOM 1865 N GLU A 121 22.022 -17.814 3.869 1.00 0.36 N ATOM 1866 CA GLU A 121 20.876 -18.411 4.524 1.00 0.40 C ATOM 1867 C GLU A 121 21.324 -19.457 5.533 1.00 0.35 C ATOM 1868 O GLU A 121 21.962 -20.446 5.168 1.00 0.40 O ATOM 1869 CB GLU A 121 19.974 -19.053 3.473 1.00 0.60 C ATOM 1870 CG GLU A 121 18.680 -19.619 4.027 1.00 1.06 C ATOM 1871 CD GLU A 121 17.919 -20.418 2.997 1.00 1.43 C ATOM 1872 OE1 GLU A 121 17.989 -20.070 1.802 1.00 1.88 O ATOM 1873 OE2 GLU A 121 17.253 -21.404 3.378 1.00 1.67 O ATOM 0 H GLU A 121 22.666 -18.487 3.454 1.00 0.36 H new ATOM 0 HA GLU A 121 20.325 -17.635 5.056 1.00 0.40 H new ATOM 0 HB2 GLU A 121 19.736 -18.310 2.712 1.00 0.60 H new ATOM 0 HB3 GLU A 121 20.525 -19.853 2.977 1.00 0.60 H new ATOM 0 HG2 GLU A 121 18.901 -20.253 4.885 1.00 1.06 H new ATOM 0 HG3 GLU A 121 18.053 -18.803 4.387 1.00 1.06 H new ATOM 1880 N LEU A 122 21.005 -19.226 6.799 1.00 0.33 N ATOM 1881 CA LEU A 122 21.335 -20.166 7.858 1.00 0.33 C ATOM 1882 C LEU A 122 20.310 -21.297 7.887 1.00 0.38 C ATOM 1883 O LEU A 122 19.133 -21.071 8.169 1.00 0.54 O ATOM 1884 CB LEU A 122 21.365 -19.445 9.210 1.00 0.38 C ATOM 1885 CG LEU A 122 21.882 -20.271 10.393 1.00 0.43 C ATOM 1886 CD1 LEU A 122 23.332 -20.669 10.175 1.00 0.80 C ATOM 1887 CD2 LEU A 122 21.730 -19.492 11.689 1.00 1.12 C ATOM 0 H LEU A 122 20.515 -18.390 7.118 1.00 0.33 H new ATOM 0 HA LEU A 122 22.321 -20.588 7.664 1.00 0.33 H new ATOM 0 HB2 LEU A 122 21.987 -18.555 9.113 1.00 0.38 H new ATOM 0 HB3 LEU A 122 20.356 -19.105 9.442 1.00 0.38 H new ATOM 0 HG LEU A 122 21.286 -21.181 10.465 1.00 0.43 H new ATOM 0 HD11 LEU A 122 23.680 -21.255 11.026 1.00 0.80 H new ATOM 0 HD12 LEU A 122 23.413 -21.266 9.266 1.00 0.80 H new ATOM 0 HD13 LEU A 122 23.944 -19.773 10.076 1.00 0.80 H new ATOM 0 HD21 LEU A 122 22.101 -20.092 12.520 1.00 1.12 H new ATOM 0 HD22 LEU A 122 22.301 -18.566 11.626 1.00 1.12 H new ATOM 0 HD23 LEU A 122 20.678 -19.259 11.852 1.00 1.12 H new ATOM 1899 N LEU A 123 20.752 -22.510 7.572 1.00 0.39 N ATOM 1900 CA LEU A 123 19.844 -23.652 7.527 1.00 0.47 C ATOM 1901 C LEU A 123 20.185 -24.690 8.601 1.00 0.47 C ATOM 1902 O LEU A 123 19.397 -25.595 8.872 1.00 0.59 O ATOM 1903 CB LEU A 123 19.834 -24.273 6.117 1.00 0.55 C ATOM 1904 CG LEU A 123 21.204 -24.576 5.490 1.00 0.58 C ATOM 1905 CD1 LEU A 123 21.782 -25.872 6.029 1.00 1.00 C ATOM 1906 CD2 LEU A 123 21.093 -24.639 3.972 1.00 0.77 C ATOM 0 H LEU A 123 21.723 -22.727 7.346 1.00 0.39 H new ATOM 0 HA LEU A 123 18.838 -23.294 7.747 1.00 0.47 H new ATOM 0 HB2 LEU A 123 19.265 -25.202 6.158 1.00 0.55 H new ATOM 0 HB3 LEU A 123 19.296 -23.598 5.451 1.00 0.55 H new ATOM 0 HG LEU A 123 21.881 -23.766 5.761 1.00 0.58 H new ATOM 0 HD11 LEU A 123 22.751 -26.058 5.566 1.00 1.00 H new ATOM 0 HD12 LEU A 123 21.905 -25.794 7.109 1.00 1.00 H new ATOM 0 HD13 LEU A 123 21.106 -26.695 5.799 1.00 1.00 H new ATOM 0 HD21 LEU A 123 22.072 -24.854 3.544 1.00 0.77 H new ATOM 0 HD22 LEU A 123 20.393 -25.426 3.691 1.00 0.77 H new ATOM 0 HD23 LEU A 123 20.734 -23.682 3.593 1.00 0.77 H new ATOM 1918 N SER A 124 21.361 -24.562 9.204 1.00 0.44 N ATOM 1919 CA SER A 124 21.775 -25.443 10.297 1.00 0.47 C ATOM 1920 C SER A 124 22.813 -24.744 11.164 1.00 0.43 C ATOM 1921 O SER A 124 23.706 -24.081 10.644 1.00 0.48 O ATOM 1922 CB SER A 124 22.359 -26.756 9.755 1.00 0.63 C ATOM 1923 OG SER A 124 21.445 -27.414 8.894 1.00 1.19 O ATOM 0 H SER A 124 22.051 -23.853 8.955 1.00 0.44 H new ATOM 0 HA SER A 124 20.895 -25.676 10.896 1.00 0.47 H new ATOM 0 HB2 SER A 124 23.284 -26.549 9.216 1.00 0.63 H new ATOM 0 HB3 SER A 124 22.614 -27.413 10.587 1.00 0.63 H new ATOM 0 HG SER A 124 21.846 -28.245 8.564 1.00 1.19 H new ATOM 1929 N PHE A 125 22.690 -24.882 12.479 1.00 0.39 N ATOM 1930 CA PHE A 125 23.655 -24.291 13.396 1.00 0.43 C ATOM 1931 C PHE A 125 23.573 -24.965 14.758 1.00 0.46 C ATOM 1932 O PHE A 125 22.717 -25.823 14.988 1.00 0.46 O ATOM 1933 CB PHE A 125 23.421 -22.779 13.541 1.00 0.46 C ATOM 1934 CG PHE A 125 22.243 -22.415 14.397 1.00 0.46 C ATOM 1935 CD1 PHE A 125 20.953 -22.659 13.964 1.00 0.44 C ATOM 1936 CD2 PHE A 125 22.428 -21.820 15.637 1.00 0.62 C ATOM 1937 CE1 PHE A 125 19.871 -22.323 14.747 1.00 0.54 C ATOM 1938 CE2 PHE A 125 21.348 -21.481 16.425 1.00 0.72 C ATOM 1939 CZ PHE A 125 20.066 -21.734 15.980 1.00 0.67 C ATOM 0 H PHE A 125 21.934 -25.396 12.932 1.00 0.39 H new ATOM 0 HA PHE A 125 24.652 -24.446 12.983 1.00 0.43 H new ATOM 0 HB2 PHE A 125 24.317 -22.324 13.963 1.00 0.46 H new ATOM 0 HB3 PHE A 125 23.282 -22.348 12.550 1.00 0.46 H new ATOM 0 HD1 PHE A 125 20.792 -23.119 13.000 1.00 0.44 H new ATOM 0 HD2 PHE A 125 23.429 -21.620 15.989 1.00 0.62 H new ATOM 0 HE1 PHE A 125 18.869 -22.521 14.396 1.00 0.54 H new ATOM 0 HE2 PHE A 125 21.505 -21.019 17.388 1.00 0.72 H new ATOM 0 HZ PHE A 125 19.218 -21.472 16.595 1.00 0.67 H new ATOM 1949 N ARG A 126 24.477 -24.580 15.647 1.00 0.60 N ATOM 1950 CA ARG A 126 24.520 -25.113 17.003 1.00 0.71 C ATOM 1951 C ARG A 126 25.346 -24.202 17.906 1.00 0.76 C ATOM 1952 O ARG A 126 26.303 -23.573 17.451 1.00 0.90 O ATOM 1953 CB ARG A 126 25.111 -26.527 17.010 1.00 0.83 C ATOM 1954 CG ARG A 126 26.290 -26.695 16.065 1.00 0.85 C ATOM 1955 CD ARG A 126 27.152 -27.897 16.435 1.00 1.12 C ATOM 1956 NE ARG A 126 26.364 -29.114 16.641 1.00 1.57 N ATOM 1957 CZ ARG A 126 26.894 -30.313 16.889 1.00 2.14 C ATOM 1958 NH1 ARG A 126 28.212 -30.491 16.841 1.00 2.47 N ATOM 1959 NH2 ARG A 126 26.099 -31.345 17.149 1.00 2.98 N ATOM 0 H ARG A 126 25.202 -23.890 15.450 1.00 0.60 H new ATOM 0 HA ARG A 126 23.499 -25.159 17.383 1.00 0.71 H new ATOM 0 HB2 ARG A 126 25.429 -26.775 18.023 1.00 0.83 H new ATOM 0 HB3 ARG A 126 24.332 -27.239 16.737 1.00 0.83 H new ATOM 0 HG2 ARG A 126 25.923 -26.812 15.045 1.00 0.85 H new ATOM 0 HG3 ARG A 126 26.900 -25.792 16.083 1.00 0.85 H new ATOM 0 HD2 ARG A 126 27.883 -28.072 15.646 1.00 1.12 H new ATOM 0 HD3 ARG A 126 27.711 -27.673 17.343 1.00 1.12 H new ATOM 0 HE ARG A 126 25.348 -29.041 16.592 1.00 1.57 H new ATOM 0 HH11 ARG A 126 28.824 -29.708 16.613 1.00 2.47 H new ATOM 0 HH12 ARG A 126 28.610 -31.411 17.032 1.00 2.47 H new ATOM 0 HH21 ARG A 126 25.087 -31.219 17.159 1.00 2.98 H new ATOM 0 HH22 ARG A 126 26.501 -32.263 17.339 1.00 2.98 H new ATOM 1973 N GLU A 127 24.969 -24.127 19.173 1.00 0.82 N ATOM 1974 CA GLU A 127 25.713 -23.348 20.149 1.00 0.88 C ATOM 1975 C GLU A 127 26.301 -24.261 21.215 1.00 1.01 C ATOM 1976 O GLU A 127 25.768 -25.340 21.486 1.00 1.11 O ATOM 1977 CB GLU A 127 24.825 -22.284 20.799 1.00 1.10 C ATOM 1978 CG GLU A 127 24.401 -21.178 19.849 1.00 1.68 C ATOM 1979 CD GLU A 127 23.612 -20.086 20.546 1.00 2.69 C ATOM 1980 OE1 GLU A 127 22.378 -20.233 20.667 1.00 3.38 O ATOM 1981 OE2 GLU A 127 24.225 -19.085 20.980 1.00 3.18 O ATOM 0 H GLU A 127 24.147 -24.599 19.550 1.00 0.82 H new ATOM 0 HA GLU A 127 26.525 -22.841 19.627 1.00 0.88 H new ATOM 0 HB2 GLU A 127 23.934 -22.765 21.203 1.00 1.10 H new ATOM 0 HB3 GLU A 127 25.359 -21.843 21.641 1.00 1.10 H new ATOM 0 HG2 GLU A 127 25.286 -20.743 19.385 1.00 1.68 H new ATOM 0 HG3 GLU A 127 23.797 -21.603 19.047 1.00 1.68 H new