USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot 2:sc= 0.433 USER MOD Set 2.2: A 79 ASN : amide:sc= 1.25 K(o=-2.2,f=-8.5!) USER MOD Set 2.3: A 83 TYR OH : rot 70:sc= -3.9! USER MOD Set 3.1: A 15 HIS : no HE2:sc= 0.842 K(o=1.8,f=-1.3) USER MOD Set 3.2: A 28 SER OG : rot 113:sc= 0.996 USER MOD Single : A 7 SER OG : rot 28:sc= 0.0762 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0625 USER MOD Single : A 20 MET CE :methyl -157:sc= 0 (180deg=-0.539) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0.031) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.987 K(o=0.99,f=-5.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.173 K(o=0.17,f=-1.2) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.605 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 63:sc= 1.53 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 62:sc= 1.28 USER MOD Single : A 67 HIS : no HD1:sc= 0.121 K(o=0.12,f=-4.4!) USER MOD Single : A 73 ASN : amide:sc= -0.23 K(o=-0.23,f=-3.5!) USER MOD Single : A 74 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.24) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.793 K(o=-0.79,f=-5.8!) USER MOD Single : A 82 ASN : amide:sc= -0.902 K(o=-0.9,f=-5.4!) USER MOD Single : A 89 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3.6!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 95 SER OG : rot 41:sc= 0.0478 USER MOD Single : A 99 MET CE :methyl -160:sc= -0.0941 (180deg=-0.536) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.993 2.478 4.821 1.00 1.06 N ATOM 80 CA SER A 7 -22.110 3.314 4.125 1.00 0.91 C ATOM 81 C SER A 7 -20.938 3.723 5.004 1.00 0.81 C ATOM 82 O SER A 7 -21.059 4.568 5.889 1.00 0.91 O ATOM 83 CB SER A 7 -22.916 4.484 3.595 1.00 1.01 C ATOM 84 OG SER A 7 -23.875 4.022 2.638 1.00 1.58 O ATOM 0 HA SER A 7 -21.654 2.797 3.280 1.00 0.91 H new ATOM 0 HB2 SER A 7 -23.424 4.989 4.417 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.252 5.215 3.133 1.00 1.01 H new ATOM 0 HG SER A 7 -24.119 3.095 2.841 1.00 1.58 H new ATOM 90 N PHE A 8 -19.836 3.060 4.787 1.00 0.75 N ATOM 91 CA PHE A 8 -18.614 3.308 5.496 1.00 0.70 C ATOM 92 C PHE A 8 -17.490 3.453 4.501 1.00 0.53 C ATOM 93 O PHE A 8 -17.387 2.671 3.551 1.00 0.54 O ATOM 94 CB PHE A 8 -18.339 2.199 6.539 1.00 0.85 C ATOM 95 CG PHE A 8 -18.470 0.770 6.051 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.682 0.101 6.164 1.00 0.88 C ATOM 97 CD2 PHE A 8 -17.391 0.095 5.508 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.811 -1.206 5.744 1.00 0.85 C ATOM 99 CE2 PHE A 8 -17.516 -1.213 5.081 1.00 1.19 C ATOM 100 CZ PHE A 8 -18.730 -1.864 5.203 1.00 0.96 C ATOM 0 H PHE A 8 -19.762 2.314 4.095 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.697 4.238 6.058 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.330 2.337 6.927 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -19.024 2.339 7.376 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -20.535 0.611 6.587 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -16.439 0.597 5.417 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.760 -1.713 5.840 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -16.667 -1.726 4.653 1.00 1.19 H new ATOM 0 HZ PHE A 8 -18.830 -2.888 4.874 1.00 0.96 H new ATOM 110 N CYS A 9 -16.681 4.457 4.707 1.00 0.49 N ATOM 111 CA CYS A 9 -15.615 4.812 3.791 1.00 0.44 C ATOM 112 C CYS A 9 -14.355 3.992 4.039 1.00 0.37 C ATOM 113 O CYS A 9 -14.382 2.999 4.780 1.00 0.40 O ATOM 114 CB CYS A 9 -15.329 6.309 3.902 1.00 0.62 C ATOM 115 SG CYS A 9 -16.753 7.347 3.449 1.00 1.32 S ATOM 0 H CYS A 9 -16.739 5.064 5.525 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.941 4.582 2.777 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.030 6.540 4.924 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -14.486 6.560 3.259 1.00 0.62 H new ATOM 120 N ALA A 10 -13.254 4.418 3.464 1.00 0.35 N ATOM 121 CA ALA A 10 -12.052 3.651 3.505 1.00 0.35 C ATOM 122 C ALA A 10 -11.156 4.064 4.647 1.00 0.29 C ATOM 123 O ALA A 10 -10.915 5.252 4.886 1.00 0.34 O ATOM 124 CB ALA A 10 -11.299 3.791 2.192 1.00 0.45 C ATOM 0 H ALA A 10 -13.176 5.302 2.960 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.336 2.610 3.661 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.383 3.202 2.233 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.924 3.433 1.374 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.049 4.839 2.026 1.00 0.45 H new ATOM 130 N SER A 11 -10.708 3.087 5.356 1.00 0.27 N ATOM 131 CA SER A 11 -9.749 3.255 6.390 1.00 0.27 C ATOM 132 C SER A 11 -8.474 2.591 5.921 1.00 0.23 C ATOM 133 O SER A 11 -8.523 1.509 5.319 1.00 0.25 O ATOM 134 CB SER A 11 -10.261 2.631 7.707 1.00 0.37 C ATOM 135 OG SER A 11 -9.281 2.665 8.748 1.00 1.19 O ATOM 0 H SER A 11 -11.008 2.121 5.228 1.00 0.27 H new ATOM 0 HA SER A 11 -9.569 4.311 6.594 1.00 0.27 H new ATOM 0 HB2 SER A 11 -11.153 3.165 8.035 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.557 1.598 7.525 1.00 0.37 H new ATOM 0 HG SER A 11 -9.652 2.261 9.560 1.00 1.19 H new ATOM 141 N VAL A 12 -7.361 3.231 6.147 1.00 0.23 N ATOM 142 CA VAL A 12 -6.094 2.697 5.728 1.00 0.22 C ATOM 143 C VAL A 12 -5.260 2.404 6.939 1.00 0.24 C ATOM 144 O VAL A 12 -4.902 3.306 7.694 1.00 0.29 O ATOM 145 CB VAL A 12 -5.313 3.678 4.799 1.00 0.23 C ATOM 146 CG1 VAL A 12 -3.944 3.134 4.483 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.043 3.887 3.506 1.00 0.27 C ATOM 0 H VAL A 12 -7.305 4.131 6.623 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.292 1.789 5.159 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.225 4.626 5.330 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.416 3.833 3.834 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.382 3.002 5.408 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.042 2.173 3.978 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.478 4.574 2.876 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.154 2.932 2.992 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.028 4.307 3.708 1.00 0.27 H new ATOM 157 N GLN A 13 -4.993 1.163 7.145 1.00 0.24 N ATOM 158 CA GLN A 13 -4.135 0.754 8.195 1.00 0.29 C ATOM 159 C GLN A 13 -2.834 0.272 7.607 1.00 0.26 C ATOM 160 O GLN A 13 -2.801 -0.700 6.846 1.00 0.32 O ATOM 161 CB GLN A 13 -4.779 -0.349 9.026 1.00 0.40 C ATOM 162 CG GLN A 13 -5.925 0.110 9.910 1.00 0.68 C ATOM 163 CD GLN A 13 -6.550 -1.042 10.671 1.00 1.43 C ATOM 164 OE1 GLN A 13 -6.594 -2.168 10.190 1.00 2.18 O ATOM 165 NE2 GLN A 13 -6.985 -0.788 11.869 1.00 2.06 N ATOM 0 H GLN A 13 -5.368 0.398 6.584 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.950 1.602 8.854 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.145 -1.125 8.354 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.014 -0.806 9.654 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.562 0.857 10.616 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.685 0.594 9.297 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -6.934 0.161 12.240 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.378 -1.538 12.439 1.00 2.06 H new ATOM 174 N LEU A 14 -1.790 0.954 7.913 1.00 0.28 N ATOM 175 CA LEU A 14 -0.483 0.563 7.484 1.00 0.25 C ATOM 176 C LEU A 14 0.209 -0.150 8.587 1.00 0.25 C ATOM 177 O LEU A 14 -0.055 0.097 9.764 1.00 0.33 O ATOM 178 CB LEU A 14 0.333 1.744 6.951 1.00 0.24 C ATOM 179 CG LEU A 14 0.038 2.123 5.500 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.713 3.412 5.132 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.542 1.037 4.586 1.00 0.25 C ATOM 0 H LEU A 14 -1.812 1.807 8.472 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.586 -0.121 6.642 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.146 2.612 7.584 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.393 1.506 7.041 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.040 2.244 5.393 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.486 3.658 4.095 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.352 4.210 5.781 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.791 3.306 5.253 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.332 1.306 3.551 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.617 0.919 4.719 1.00 0.25 H new ATOM 0 HD23 LEU A 14 0.042 0.099 4.825 1.00 0.25 H new ATOM 193 N HIS A 15 1.079 -1.023 8.235 1.00 0.21 N ATOM 194 CA HIS A 15 1.725 -1.856 9.193 1.00 0.24 C ATOM 195 C HIS A 15 3.189 -1.820 8.936 1.00 0.21 C ATOM 196 O HIS A 15 3.623 -1.626 7.801 1.00 0.22 O ATOM 197 CB HIS A 15 1.224 -3.308 9.079 1.00 0.34 C ATOM 198 CG HIS A 15 -0.248 -3.513 9.348 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.757 -3.867 10.577 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.317 -3.440 8.516 1.00 0.62 C ATOM 201 CE1 HIS A 15 -2.067 -4.006 10.485 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.430 -3.751 9.245 1.00 0.83 N ATOM 0 H HIS A 15 1.368 -1.185 7.270 1.00 0.21 H new ATOM 0 HA HIS A 15 1.501 -1.492 10.196 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.446 -3.672 8.076 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.792 -3.925 9.775 1.00 0.34 H new ATOM 0 HD1 HIS A 15 -0.208 -4.001 11.426 1.00 0.92 H new ATOM 0 HD2 HIS A 15 -1.293 -3.183 7.467 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.730 -4.283 11.292 1.00 1.03 H new ATOM 211 N THR A 16 3.924 -1.961 10.001 1.00 0.26 N ATOM 212 CA THR A 16 5.353 -1.963 10.022 1.00 0.29 C ATOM 213 C THR A 16 5.881 -3.056 9.081 1.00 0.25 C ATOM 214 O THR A 16 5.348 -4.189 9.065 1.00 0.27 O ATOM 215 CB THR A 16 5.769 -2.266 11.458 1.00 0.38 C ATOM 216 OG1 THR A 16 4.917 -1.487 12.343 1.00 0.49 O ATOM 217 CG2 THR A 16 7.223 -1.885 11.695 1.00 0.47 C ATOM 0 H THR A 16 3.517 -2.084 10.928 1.00 0.26 H new ATOM 0 HA THR A 16 5.757 -1.006 9.691 1.00 0.29 H new ATOM 0 HB THR A 16 5.664 -3.334 11.650 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.163 -1.665 13.275 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.495 -2.111 12.726 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.863 -2.452 11.019 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.354 -0.819 11.510 1.00 0.47 H new ATOM 225 N ALA A 17 6.905 -2.705 8.306 1.00 0.28 N ATOM 226 CA ALA A 17 7.471 -3.584 7.307 1.00 0.30 C ATOM 227 C ALA A 17 8.055 -4.813 7.952 1.00 0.35 C ATOM 228 O ALA A 17 8.644 -4.742 9.030 1.00 0.40 O ATOM 229 CB ALA A 17 8.538 -2.858 6.501 1.00 0.37 C ATOM 0 H ALA A 17 7.362 -1.795 8.360 1.00 0.28 H new ATOM 0 HA ALA A 17 6.672 -3.892 6.632 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.953 -3.535 5.754 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.094 -1.996 6.003 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.332 -2.523 7.168 1.00 0.37 H new ATOM 235 N VAL A 18 7.916 -5.922 7.296 1.00 0.38 N ATOM 236 CA VAL A 18 8.396 -7.165 7.830 1.00 0.48 C ATOM 237 C VAL A 18 9.821 -7.410 7.346 1.00 0.56 C ATOM 238 O VAL A 18 10.119 -7.301 6.144 1.00 0.52 O ATOM 239 CB VAL A 18 7.450 -8.360 7.477 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.064 -8.127 8.062 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.339 -8.573 5.976 1.00 0.52 C ATOM 0 H VAL A 18 7.470 -5.995 6.381 1.00 0.38 H new ATOM 0 HA VAL A 18 8.401 -7.095 8.918 1.00 0.48 H new ATOM 0 HB VAL A 18 7.888 -9.258 7.913 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.416 -8.966 7.809 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.137 -8.039 9.146 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.645 -7.208 7.651 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.673 -9.412 5.776 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.939 -7.673 5.509 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.326 -8.787 5.565 1.00 0.52 H new ATOM 251 N GLU A 19 10.702 -7.672 8.287 1.00 0.72 N ATOM 252 CA GLU A 19 12.097 -7.865 7.989 1.00 0.84 C ATOM 253 C GLU A 19 12.325 -9.226 7.374 1.00 0.84 C ATOM 254 O GLU A 19 12.056 -10.257 7.999 1.00 0.96 O ATOM 255 CB GLU A 19 12.957 -7.711 9.250 1.00 1.06 C ATOM 256 CG GLU A 19 14.452 -7.838 8.991 1.00 1.72 C ATOM 257 CD GLU A 19 15.261 -7.861 10.256 1.00 2.02 C ATOM 258 OE1 GLU A 19 15.373 -8.940 10.875 1.00 2.52 O ATOM 259 OE2 GLU A 19 15.811 -6.808 10.661 1.00 2.38 O ATOM 0 H GLU A 19 10.468 -7.756 9.276 1.00 0.72 H new ATOM 0 HA GLU A 19 12.393 -7.098 7.273 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.756 -6.738 9.699 1.00 1.06 H new ATOM 0 HB3 GLU A 19 12.658 -8.466 9.977 1.00 1.06 H new ATOM 0 HG2 GLU A 19 14.642 -8.751 8.427 1.00 1.72 H new ATOM 0 HG3 GLU A 19 14.781 -7.005 8.370 1.00 1.72 H new ATOM 266 N MET A 20 12.773 -9.210 6.155 1.00 0.79 N ATOM 267 CA MET A 20 13.152 -10.375 5.408 1.00 0.84 C ATOM 268 C MET A 20 13.875 -9.894 4.183 1.00 0.81 C ATOM 269 O MET A 20 14.094 -8.683 4.079 1.00 0.84 O ATOM 270 CB MET A 20 11.955 -11.313 5.089 1.00 0.88 C ATOM 271 CG MET A 20 10.791 -10.703 4.339 1.00 0.88 C ATOM 272 SD MET A 20 9.438 -11.895 4.153 1.00 0.88 S ATOM 273 CE MET A 20 8.252 -10.952 3.202 1.00 0.58 C ATOM 0 H MET A 20 12.890 -8.345 5.628 1.00 0.79 H new ATOM 0 HA MET A 20 13.811 -11.005 6.005 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.329 -12.156 4.508 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.579 -11.716 6.029 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.433 -9.822 4.871 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.123 -10.368 3.356 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.254 -11.364 3.354 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.269 -9.912 3.528 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.509 -11.005 2.144 1.00 0.58 H new ATOM 283 N HIS A 21 14.281 -10.760 3.294 1.00 0.92 N ATOM 284 CA HIS A 21 15.054 -10.307 2.136 1.00 1.01 C ATOM 285 C HIS A 21 14.206 -9.534 1.149 1.00 0.82 C ATOM 286 O HIS A 21 14.649 -8.547 0.586 1.00 0.95 O ATOM 287 CB HIS A 21 15.824 -11.443 1.474 1.00 1.24 C ATOM 288 CG HIS A 21 16.961 -11.941 2.304 1.00 1.65 C ATOM 289 ND1 HIS A 21 16.899 -13.066 3.094 1.00 2.31 N ATOM 290 CD2 HIS A 21 18.203 -11.448 2.466 1.00 2.19 C ATOM 291 CE1 HIS A 21 18.049 -13.236 3.700 1.00 2.75 C ATOM 292 NE2 HIS A 21 18.853 -12.271 3.335 1.00 2.66 N ATOM 0 H HIS A 21 14.102 -11.763 3.333 1.00 0.92 H new ATOM 0 HA HIS A 21 15.801 -9.610 2.515 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.141 -12.268 1.272 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.206 -11.103 0.512 1.00 1.24 H new ATOM 0 HD2 HIS A 21 18.608 -10.565 1.995 1.00 2.19 H new ATOM 0 HE1 HIS A 21 18.291 -14.036 4.384 1.00 2.75 H new ATOM 0 HE2 HIS A 21 19.816 -12.153 3.651 1.00 2.66 H new ATOM 301 N HIS A 22 13.002 -9.978 0.944 1.00 0.67 N ATOM 302 CA HIS A 22 12.062 -9.245 0.127 1.00 0.59 C ATOM 303 C HIS A 22 11.170 -8.471 1.053 1.00 0.49 C ATOM 304 O HIS A 22 10.421 -9.055 1.818 1.00 0.57 O ATOM 305 CB HIS A 22 11.238 -10.169 -0.779 1.00 0.76 C ATOM 306 CG HIS A 22 12.036 -10.817 -1.869 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.178 -12.179 -2.005 1.00 1.52 N ATOM 308 CD2 HIS A 22 12.708 -10.272 -2.908 1.00 2.11 C ATOM 309 CE1 HIS A 22 12.901 -12.439 -3.069 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.236 -11.300 -3.638 1.00 2.46 N ATOM 0 H HIS A 22 12.639 -10.849 1.331 1.00 0.67 H new ATOM 0 HA HIS A 22 12.604 -8.575 -0.540 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.778 -10.945 -0.168 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.428 -9.594 -1.227 1.00 0.76 H new ATOM 0 HD2 HIS A 22 12.809 -9.218 -3.122 1.00 2.11 H new ATOM 0 HE1 HIS A 22 13.175 -13.423 -3.419 1.00 2.06 H new ATOM 0 HE2 HIS A 22 13.797 -11.201 -4.484 1.00 2.46 H new ATOM 319 N TRP A 23 11.239 -7.177 0.994 1.00 0.41 N ATOM 320 CA TRP A 23 10.531 -6.365 1.952 1.00 0.36 C ATOM 321 C TRP A 23 9.079 -6.192 1.581 1.00 0.32 C ATOM 322 O TRP A 23 8.722 -5.992 0.410 1.00 0.44 O ATOM 323 CB TRP A 23 11.217 -5.023 2.162 1.00 0.43 C ATOM 324 CG TRP A 23 12.565 -5.138 2.789 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.739 -5.385 2.153 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.880 -5.001 4.179 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.765 -5.432 3.059 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.265 -5.194 4.312 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.122 -4.736 5.323 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.911 -5.135 5.542 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.763 -4.674 6.542 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.143 -4.873 6.643 1.00 0.86 C ATOM 0 H TRP A 23 11.774 -6.656 0.299 1.00 0.41 H new ATOM 0 HA TRP A 23 10.556 -6.898 2.902 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.314 -4.518 1.201 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.585 -4.395 2.790 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.848 -5.524 1.088 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.744 -5.615 2.837 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.055 -4.583 5.253 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.977 -5.290 5.625 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.189 -4.468 7.434 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.614 -4.819 7.613 1.00 0.86 H new ATOM 343 N CYS A 24 8.255 -6.287 2.578 1.00 0.27 N ATOM 344 CA CYS A 24 6.842 -6.208 2.428 1.00 0.25 C ATOM 345 C CYS A 24 6.285 -5.262 3.468 1.00 0.23 C ATOM 346 O CYS A 24 6.525 -5.442 4.676 1.00 0.25 O ATOM 347 CB CYS A 24 6.228 -7.621 2.592 1.00 0.28 C ATOM 348 SG CYS A 24 4.394 -7.714 2.572 1.00 0.30 S ATOM 0 H CYS A 24 8.558 -6.425 3.542 1.00 0.27 H new ATOM 0 HA CYS A 24 6.590 -5.831 1.437 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.612 -8.256 1.794 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.582 -8.042 3.533 1.00 0.28 H new ATOM 353 N ILE A 25 5.629 -4.220 3.004 1.00 0.20 N ATOM 354 CA ILE A 25 4.911 -3.317 3.870 1.00 0.19 C ATOM 355 C ILE A 25 3.427 -3.662 3.739 1.00 0.18 C ATOM 356 O ILE A 25 2.787 -3.310 2.728 1.00 0.18 O ATOM 357 CB ILE A 25 5.133 -1.822 3.491 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.632 -1.478 3.526 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.349 -0.910 4.441 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.956 -0.030 3.202 1.00 0.30 C ATOM 0 H ILE A 25 5.580 -3.977 2.015 1.00 0.20 H new ATOM 0 HA ILE A 25 5.274 -3.436 4.891 1.00 0.19 H new ATOM 0 HB ILE A 25 4.766 -1.661 2.477 1.00 0.21 H new ATOM 0 HG12 ILE A 25 7.022 -1.711 4.517 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.156 -2.121 2.818 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.514 0.131 4.164 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.286 -1.140 4.372 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.689 -1.072 5.464 1.00 0.22 H new ATOM 0 HD11 ILE A 25 8.034 0.121 3.250 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.601 0.207 2.199 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.465 0.623 3.924 1.00 0.30 H new ATOM 372 N PRO A 26 2.874 -4.417 4.698 1.00 0.20 N ATOM 373 CA PRO A 26 1.489 -4.846 4.646 1.00 0.21 C ATOM 374 C PRO A 26 0.528 -3.714 4.967 1.00 0.21 C ATOM 375 O PRO A 26 0.735 -2.941 5.918 1.00 0.23 O ATOM 376 CB PRO A 26 1.391 -5.944 5.727 1.00 0.25 C ATOM 377 CG PRO A 26 2.787 -6.162 6.218 1.00 0.28 C ATOM 378 CD PRO A 26 3.539 -4.904 5.913 1.00 0.24 C ATOM 0 HA PRO A 26 1.217 -5.193 3.649 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.735 -5.634 6.540 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.974 -6.863 5.314 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.795 -6.371 7.288 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.244 -7.019 5.723 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.471 -4.184 6.728 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.599 -5.096 5.745 1.00 0.24 H new ATOM 386 N PHE A 27 -0.510 -3.607 4.193 1.00 0.23 N ATOM 387 CA PHE A 27 -1.507 -2.613 4.435 1.00 0.25 C ATOM 388 C PHE A 27 -2.861 -3.254 4.492 1.00 0.25 C ATOM 389 O PHE A 27 -3.063 -4.355 3.967 1.00 0.30 O ATOM 390 CB PHE A 27 -1.474 -1.488 3.384 1.00 0.27 C ATOM 391 CG PHE A 27 -1.731 -1.909 1.966 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.026 -2.025 1.480 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.678 -2.167 1.116 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.258 -2.398 0.181 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.905 -2.538 -0.182 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.197 -2.655 -0.653 1.00 0.37 C ATOM 0 H PHE A 27 -0.687 -4.201 3.383 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.290 -2.149 5.397 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.215 -0.737 3.660 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.498 -1.004 3.428 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.861 -1.819 2.133 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.336 -2.076 1.477 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.270 -2.489 -0.185 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.072 -2.740 -0.839 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.374 -2.949 -1.677 1.00 0.37 H new ATOM 406 N SER A 28 -3.752 -2.615 5.153 1.00 0.25 N ATOM 407 CA SER A 28 -5.090 -3.063 5.248 1.00 0.28 C ATOM 408 C SER A 28 -6.001 -1.873 4.961 1.00 0.24 C ATOM 409 O SER A 28 -6.095 -0.949 5.766 1.00 0.27 O ATOM 410 CB SER A 28 -5.326 -3.598 6.667 1.00 0.41 C ATOM 411 OG SER A 28 -4.278 -4.500 7.045 1.00 0.88 O ATOM 0 H SER A 28 -3.568 -1.746 5.655 1.00 0.25 H new ATOM 0 HA SER A 28 -5.298 -3.860 4.535 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.371 -2.768 7.372 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.288 -4.109 6.714 1.00 0.41 H new ATOM 0 HG SER A 28 -3.749 -4.102 7.768 1.00 0.88 H new ATOM 417 N VAL A 29 -6.605 -1.862 3.806 1.00 0.23 N ATOM 418 CA VAL A 29 -7.537 -0.819 3.471 1.00 0.21 C ATOM 419 C VAL A 29 -8.927 -1.410 3.421 1.00 0.21 C ATOM 420 O VAL A 29 -9.189 -2.353 2.668 1.00 0.27 O ATOM 421 CB VAL A 29 -7.162 -0.037 2.152 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.921 -0.974 0.998 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.261 0.954 1.776 1.00 0.26 C ATOM 0 H VAL A 29 -6.469 -2.564 3.079 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.495 -0.058 4.250 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.239 0.505 2.357 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.666 -0.398 0.109 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.100 -1.648 1.242 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.823 -1.555 0.807 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.980 1.481 0.864 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.195 0.416 1.611 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.394 1.673 2.584 1.00 0.26 H new ATOM 433 N ASP A 30 -9.781 -0.908 4.260 1.00 0.27 N ATOM 434 CA ASP A 30 -11.126 -1.422 4.379 1.00 0.35 C ATOM 435 C ASP A 30 -12.140 -0.359 4.103 1.00 0.37 C ATOM 436 O ASP A 30 -12.075 0.736 4.670 1.00 0.48 O ATOM 437 CB ASP A 30 -11.364 -2.019 5.763 1.00 0.51 C ATOM 438 CG ASP A 30 -12.812 -2.404 5.990 1.00 0.80 C ATOM 439 OD1 ASP A 30 -13.496 -1.750 6.787 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.294 -3.350 5.334 1.00 1.30 O ATOM 0 H ASP A 30 -9.572 -0.130 4.885 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.239 -2.209 3.633 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -10.734 -2.900 5.888 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.060 -1.299 6.523 1.00 0.51 H new ATOM 445 N GLY A 31 -13.040 -0.667 3.224 1.00 0.37 N ATOM 446 CA GLY A 31 -14.111 0.207 2.891 1.00 0.42 C ATOM 447 C GLY A 31 -15.028 -0.495 1.953 1.00 0.46 C ATOM 448 O GLY A 31 -14.573 -1.350 1.186 1.00 0.60 O ATOM 0 H GLY A 31 -13.048 -1.549 2.711 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.648 0.506 3.791 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.726 1.118 2.432 1.00 0.42 H new ATOM 452 N GLN A 32 -16.300 -0.201 2.018 1.00 0.55 N ATOM 453 CA GLN A 32 -17.233 -0.834 1.117 1.00 0.64 C ATOM 454 C GLN A 32 -17.104 -0.191 -0.274 1.00 0.61 C ATOM 455 O GLN A 32 -16.868 -0.907 -1.255 1.00 0.68 O ATOM 456 CB GLN A 32 -18.664 -0.810 1.651 1.00 0.76 C ATOM 457 CG GLN A 32 -19.641 -1.581 0.797 1.00 0.99 C ATOM 458 CD GLN A 32 -21.036 -1.453 1.308 1.00 1.82 C ATOM 459 OE1 GLN A 32 -21.490 -2.240 2.118 1.00 2.42 O ATOM 460 NE2 GLN A 32 -21.714 -0.465 0.851 1.00 2.61 N ATOM 0 H GLN A 32 -16.712 0.462 2.674 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.983 -1.892 1.033 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.673 -1.222 2.660 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.998 0.225 1.726 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.594 -1.217 -0.229 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.356 -2.633 0.776 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -21.295 0.171 0.173 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -22.673 -0.315 1.166 1.00 2.61 H new ATOM 469 N PRO A 33 -17.261 1.170 -0.402 1.00 0.59 N ATOM 470 CA PRO A 33 -16.925 1.844 -1.633 1.00 0.62 C ATOM 471 C PRO A 33 -15.419 1.688 -1.871 1.00 0.53 C ATOM 472 O PRO A 33 -14.596 2.031 -1.008 1.00 0.44 O ATOM 473 CB PRO A 33 -17.309 3.316 -1.375 1.00 0.67 C ATOM 474 CG PRO A 33 -17.358 3.446 0.095 1.00 0.78 C ATOM 475 CD PRO A 33 -17.818 2.120 0.588 1.00 0.63 C ATOM 0 HA PRO A 33 -17.435 1.452 -2.513 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.576 3.997 -1.807 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -18.272 3.557 -1.825 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.379 3.699 0.501 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.043 4.238 0.398 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.448 1.915 1.593 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.906 2.063 0.631 1.00 0.63 H new ATOM 483 N ALA A 34 -15.079 1.119 -2.987 1.00 0.62 N ATOM 484 CA ALA A 34 -13.708 0.800 -3.314 1.00 0.60 C ATOM 485 C ALA A 34 -12.874 2.054 -3.595 1.00 0.52 C ATOM 486 O ALA A 34 -13.231 2.847 -4.459 1.00 0.63 O ATOM 487 CB ALA A 34 -13.696 -0.133 -4.501 1.00 0.78 C ATOM 0 H ALA A 34 -15.748 0.857 -3.710 1.00 0.62 H new ATOM 0 HA ALA A 34 -13.249 0.312 -2.454 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -12.666 -0.382 -4.758 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -14.238 -1.045 -4.252 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -14.175 0.353 -5.351 1.00 0.78 H new ATOM 493 N PRO A 35 -11.780 2.275 -2.842 1.00 0.39 N ATOM 494 CA PRO A 35 -10.903 3.422 -3.044 1.00 0.35 C ATOM 495 C PRO A 35 -9.752 3.118 -4.022 1.00 0.41 C ATOM 496 O PRO A 35 -9.518 1.957 -4.402 1.00 0.56 O ATOM 497 CB PRO A 35 -10.341 3.636 -1.644 1.00 0.29 C ATOM 498 CG PRO A 35 -10.190 2.258 -1.095 1.00 0.31 C ATOM 499 CD PRO A 35 -11.326 1.444 -1.695 1.00 0.37 C ATOM 0 HA PRO A 35 -11.425 4.278 -3.473 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.385 4.159 -1.674 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.014 4.237 -1.032 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.222 1.835 -1.363 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.245 2.263 -0.006 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.987 0.461 -2.021 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.128 1.282 -0.975 1.00 0.37 H new ATOM 507 N SER A 36 -9.077 4.147 -4.444 1.00 0.39 N ATOM 508 CA SER A 36 -7.914 4.024 -5.284 1.00 0.44 C ATOM 509 C SER A 36 -6.678 4.305 -4.429 1.00 0.37 C ATOM 510 O SER A 36 -6.622 5.328 -3.742 1.00 0.41 O ATOM 511 CB SER A 36 -8.021 5.025 -6.429 1.00 0.57 C ATOM 512 OG SER A 36 -9.268 4.868 -7.101 1.00 1.37 O ATOM 0 H SER A 36 -9.320 5.110 -4.213 1.00 0.39 H new ATOM 0 HA SER A 36 -7.839 3.022 -5.708 1.00 0.44 H new ATOM 0 HB2 SER A 36 -7.932 6.041 -6.044 1.00 0.57 H new ATOM 0 HB3 SER A 36 -7.200 4.877 -7.130 1.00 0.57 H new ATOM 0 HG SER A 36 -9.329 5.516 -7.834 1.00 1.37 H new ATOM 518 N LEU A 37 -5.727 3.397 -4.439 1.00 0.33 N ATOM 519 CA LEU A 37 -4.541 3.524 -3.608 1.00 0.30 C ATOM 520 C LEU A 37 -3.424 4.271 -4.325 1.00 0.32 C ATOM 521 O LEU A 37 -3.260 4.150 -5.555 1.00 0.50 O ATOM 522 CB LEU A 37 -4.058 2.147 -3.155 1.00 0.32 C ATOM 523 CG LEU A 37 -5.028 1.344 -2.284 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.471 -0.036 -2.029 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.265 2.061 -0.965 1.00 0.27 C ATOM 0 H LEU A 37 -5.749 2.556 -5.016 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.816 4.110 -2.731 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.824 1.557 -4.041 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.127 2.275 -2.603 1.00 0.32 H new ATOM 0 HG LEU A 37 -5.979 1.252 -2.809 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.167 -0.600 -1.409 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.330 -0.553 -2.978 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.513 0.047 -1.516 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -5.956 1.480 -0.354 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.319 2.172 -0.436 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.690 3.046 -1.158 1.00 0.27 H new ATOM 537 N ARG A 38 -2.697 5.049 -3.568 1.00 0.23 N ATOM 538 CA ARG A 38 -1.582 5.843 -4.037 1.00 0.23 C ATOM 539 C ARG A 38 -0.505 5.887 -2.954 1.00 0.22 C ATOM 540 O ARG A 38 -0.825 6.002 -1.777 1.00 0.26 O ATOM 541 CB ARG A 38 -2.083 7.273 -4.363 1.00 0.28 C ATOM 542 CG ARG A 38 -0.995 8.326 -4.592 1.00 0.33 C ATOM 543 CD ARG A 38 -0.089 7.979 -5.754 1.00 1.28 C ATOM 544 NE ARG A 38 -0.788 7.996 -7.037 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.241 7.679 -8.217 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.010 7.217 -8.281 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.961 7.796 -9.325 1.00 3.78 N ATOM 0 H ARG A 38 -2.868 5.154 -2.568 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.156 5.402 -4.938 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.708 7.224 -5.255 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.721 7.609 -3.545 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.463 9.293 -4.776 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.397 8.429 -3.687 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.740 8.686 -5.787 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.341 6.991 -5.592 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.770 8.271 -7.033 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.556 7.103 -7.427 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.420 6.978 -9.184 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.925 8.126 -9.274 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.551 7.556 -10.228 1.00 3.78 H new ATOM 561 N TRP A 39 0.739 5.759 -3.342 1.00 0.22 N ATOM 562 CA TRP A 39 1.836 5.874 -2.409 1.00 0.22 C ATOM 563 C TRP A 39 2.514 7.219 -2.538 1.00 0.20 C ATOM 564 O TRP A 39 2.605 7.801 -3.631 1.00 0.26 O ATOM 565 CB TRP A 39 2.878 4.778 -2.603 1.00 0.25 C ATOM 566 CG TRP A 39 2.407 3.411 -2.277 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.985 2.472 -3.150 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.319 2.822 -0.973 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.636 1.331 -2.483 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.830 1.516 -1.143 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.608 3.269 0.320 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.617 0.652 -0.075 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.399 2.410 1.381 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.908 1.115 1.177 1.00 0.26 C ATOM 0 H TRP A 39 1.020 5.574 -4.305 1.00 0.22 H new ATOM 0 HA TRP A 39 1.404 5.768 -1.414 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.214 4.794 -3.640 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.745 5.006 -1.983 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.931 2.603 -4.221 1.00 0.29 H new ATOM 0 HE1 TRP A 39 1.286 0.477 -2.917 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.987 4.267 0.486 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 1.236 -0.347 -0.229 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.618 2.743 2.385 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.756 0.468 2.028 1.00 0.26 H new ATOM 585 N LEU A 40 2.972 7.703 -1.436 1.00 0.25 N ATOM 586 CA LEU A 40 3.689 8.932 -1.366 1.00 0.24 C ATOM 587 C LEU A 40 4.938 8.662 -0.541 1.00 0.27 C ATOM 588 O LEU A 40 4.846 8.115 0.554 1.00 0.34 O ATOM 589 CB LEU A 40 2.815 9.965 -0.668 1.00 0.31 C ATOM 590 CG LEU A 40 3.265 11.410 -0.705 1.00 0.49 C ATOM 591 CD1 LEU A 40 3.068 11.980 -2.091 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.514 12.222 0.328 1.00 0.95 C ATOM 0 H LEU A 40 2.856 7.243 -0.533 1.00 0.25 H new ATOM 0 HA LEU A 40 3.955 9.308 -2.354 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.819 9.913 -1.107 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.718 9.671 0.377 1.00 0.31 H new ATOM 0 HG LEU A 40 4.327 11.457 -0.464 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.395 13.020 -2.107 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.654 11.405 -2.808 1.00 0.66 H new ATOM 0 HD13 LEU A 40 2.013 11.927 -2.360 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.848 13.259 0.289 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.445 12.177 0.119 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.707 11.815 1.321 1.00 0.95 H new ATOM 604 N PHE A 41 6.076 9.009 -1.058 1.00 0.28 N ATOM 605 CA PHE A 41 7.335 8.769 -0.388 1.00 0.35 C ATOM 606 C PHE A 41 7.960 10.082 0.039 1.00 0.38 C ATOM 607 O PHE A 41 8.433 10.841 -0.795 1.00 0.41 O ATOM 608 CB PHE A 41 8.288 7.974 -1.307 1.00 0.45 C ATOM 609 CG PHE A 41 9.700 7.859 -0.787 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.754 8.481 -1.436 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.966 7.119 0.358 1.00 0.60 C ATOM 612 CE1 PHE A 41 12.041 8.366 -0.958 1.00 0.88 C ATOM 613 CE2 PHE A 41 11.251 7.002 0.842 1.00 0.74 C ATOM 614 CZ PHE A 41 12.303 7.668 0.156 1.00 0.86 C ATOM 0 H PHE A 41 6.167 9.471 -1.963 1.00 0.28 H new ATOM 0 HA PHE A 41 7.152 8.173 0.506 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.883 6.972 -1.451 1.00 0.45 H new ATOM 0 HB3 PHE A 41 8.312 8.452 -2.286 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.565 9.062 -2.326 1.00 0.75 H new ATOM 0 HD2 PHE A 41 9.155 6.629 0.876 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.851 8.845 -1.489 1.00 0.88 H new ATOM 0 HE2 PHE A 41 11.455 6.416 1.726 1.00 0.74 H new ATOM 0 HZ PHE A 41 13.314 7.612 0.533 1.00 0.86 H new ATOM 624 N ASN A 42 7.912 10.359 1.339 1.00 0.46 N ATOM 625 CA ASN A 42 8.493 11.592 1.939 1.00 0.57 C ATOM 626 C ASN A 42 7.913 12.860 1.310 1.00 0.53 C ATOM 627 O ASN A 42 8.584 13.890 1.210 1.00 0.69 O ATOM 628 CB ASN A 42 10.045 11.620 1.840 1.00 0.73 C ATOM 629 CG ASN A 42 10.749 10.555 2.672 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.257 10.127 3.722 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.909 10.133 2.229 1.00 1.72 N ATOM 0 H ASN A 42 7.471 9.743 2.022 1.00 0.46 H new ATOM 0 HA ASN A 42 8.218 11.569 2.994 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.332 11.497 0.796 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.399 12.602 2.154 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.431 9.432 2.755 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.289 10.505 1.359 1.00 1.72 H new ATOM 638 N GLY A 43 6.682 12.780 0.864 1.00 0.45 N ATOM 639 CA GLY A 43 6.046 13.919 0.243 1.00 0.51 C ATOM 640 C GLY A 43 6.145 13.873 -1.268 1.00 0.47 C ATOM 641 O GLY A 43 5.446 14.594 -1.962 1.00 0.61 O ATOM 0 H GLY A 43 6.102 11.943 0.919 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.997 13.952 0.536 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.508 14.836 0.608 1.00 0.51 H new ATOM 645 N SER A 44 7.000 13.025 -1.776 1.00 0.38 N ATOM 646 CA SER A 44 7.179 12.877 -3.194 1.00 0.40 C ATOM 647 C SER A 44 6.241 11.812 -3.716 1.00 0.33 C ATOM 648 O SER A 44 6.133 10.729 -3.137 1.00 0.28 O ATOM 649 CB SER A 44 8.630 12.507 -3.481 1.00 0.51 C ATOM 650 OG SER A 44 9.520 13.472 -2.911 1.00 1.37 O ATOM 0 H SER A 44 7.594 12.415 -1.214 1.00 0.38 H new ATOM 0 HA SER A 44 6.949 13.816 -3.698 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.846 11.520 -3.073 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.790 12.449 -4.558 1.00 0.51 H new ATOM 0 HG SER A 44 10.446 13.217 -3.104 1.00 1.37 H new ATOM 656 N VAL A 45 5.521 12.153 -4.760 1.00 0.41 N ATOM 657 CA VAL A 45 4.607 11.246 -5.410 1.00 0.41 C ATOM 658 C VAL A 45 5.344 10.029 -5.912 1.00 0.39 C ATOM 659 O VAL A 45 6.241 10.133 -6.753 1.00 0.45 O ATOM 660 CB VAL A 45 3.842 11.939 -6.567 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.125 10.934 -7.424 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.832 12.893 -6.009 1.00 0.70 C ATOM 0 H VAL A 45 5.555 13.079 -5.186 1.00 0.41 H new ATOM 0 HA VAL A 45 3.869 10.930 -4.673 1.00 0.41 H new ATOM 0 HB VAL A 45 4.573 12.470 -7.176 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.598 11.450 -8.226 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.848 10.240 -7.852 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.409 10.382 -6.816 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.298 13.377 -6.827 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.124 12.349 -5.385 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.338 13.649 -5.409 1.00 0.70 H new ATOM 672 N LEU A 46 4.983 8.895 -5.376 1.00 0.37 N ATOM 673 CA LEU A 46 5.611 7.679 -5.733 1.00 0.40 C ATOM 674 C LEU A 46 4.786 6.966 -6.766 1.00 0.44 C ATOM 675 O LEU A 46 3.734 6.386 -6.458 1.00 0.51 O ATOM 676 CB LEU A 46 5.794 6.777 -4.509 1.00 0.44 C ATOM 677 CG LEU A 46 6.484 5.427 -4.766 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.941 5.609 -5.167 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.356 4.520 -3.563 1.00 0.61 C ATOM 0 H LEU A 46 4.243 8.801 -4.680 1.00 0.37 H new ATOM 0 HA LEU A 46 6.595 7.909 -6.143 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.372 7.322 -3.763 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.813 6.585 -4.074 1.00 0.44 H new ATOM 0 HG LEU A 46 5.976 4.950 -5.604 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.395 4.633 -5.340 1.00 0.57 H new ATOM 0 HD12 LEU A 46 7.996 6.202 -6.080 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.477 6.122 -4.368 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.852 3.571 -3.768 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.822 4.993 -2.699 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.302 4.341 -3.353 1.00 0.61 H new ATOM 691 N ASN A 47 5.191 7.061 -7.985 1.00 0.54 N ATOM 692 CA ASN A 47 4.580 6.255 -8.988 1.00 0.59 C ATOM 693 C ASN A 47 5.274 4.915 -8.957 1.00 0.53 C ATOM 694 O ASN A 47 6.507 4.855 -8.908 1.00 0.64 O ATOM 695 CB ASN A 47 4.623 6.886 -10.388 1.00 0.79 C ATOM 696 CG ASN A 47 3.652 8.049 -10.528 1.00 1.54 C ATOM 697 OD1 ASN A 47 2.481 7.856 -10.842 1.00 2.47 O ATOM 698 ND2 ASN A 47 4.119 9.249 -10.325 1.00 1.94 N ATOM 0 H ASN A 47 5.933 7.680 -8.311 1.00 0.54 H new ATOM 0 HA ASN A 47 3.517 6.152 -8.772 1.00 0.59 H new ATOM 0 HB2 ASN A 47 5.635 7.233 -10.596 1.00 0.79 H new ATOM 0 HB3 ASN A 47 4.387 6.127 -11.134 1.00 0.79 H new ATOM 0 HD21 ASN A 47 3.507 10.058 -10.426 1.00 1.94 H new ATOM 0 HD22 ASN A 47 5.097 9.379 -10.065 1.00 1.94 H new ATOM 705 N GLU A 48 4.489 3.860 -8.917 1.00 0.49 N ATOM 706 CA GLU A 48 4.981 2.489 -8.776 1.00 0.53 C ATOM 707 C GLU A 48 5.938 2.118 -9.888 1.00 0.53 C ATOM 708 O GLU A 48 5.710 2.449 -11.058 1.00 0.70 O ATOM 709 CB GLU A 48 3.811 1.523 -8.747 1.00 0.69 C ATOM 710 CG GLU A 48 2.870 1.748 -7.582 1.00 0.74 C ATOM 711 CD GLU A 48 1.688 0.833 -7.627 1.00 1.12 C ATOM 712 OE1 GLU A 48 0.625 1.243 -8.111 1.00 1.56 O ATOM 713 OE2 GLU A 48 1.803 -0.324 -7.184 1.00 1.74 O ATOM 0 H GLU A 48 3.473 3.922 -8.982 1.00 0.49 H new ATOM 0 HA GLU A 48 5.530 2.425 -7.837 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.252 1.614 -9.678 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.193 0.503 -8.703 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.409 1.597 -6.647 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.527 2.783 -7.588 1.00 0.74 H new ATOM 720 N THR A 49 6.991 1.441 -9.524 1.00 0.53 N ATOM 721 CA THR A 49 8.015 1.055 -10.446 1.00 0.58 C ATOM 722 C THR A 49 7.938 -0.451 -10.688 1.00 0.60 C ATOM 723 O THR A 49 6.912 -1.076 -10.381 1.00 0.65 O ATOM 724 CB THR A 49 9.421 1.435 -9.902 1.00 0.71 C ATOM 725 OG1 THR A 49 9.642 0.817 -8.624 1.00 1.57 O ATOM 726 CG2 THR A 49 9.563 2.941 -9.749 1.00 0.98 C ATOM 0 H THR A 49 7.162 1.139 -8.565 1.00 0.53 H new ATOM 0 HA THR A 49 7.860 1.585 -11.385 1.00 0.58 H new ATOM 0 HB THR A 49 10.159 1.080 -10.621 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.531 1.062 -8.292 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.556 3.176 -9.367 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.425 3.420 -10.718 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.810 3.309 -9.052 1.00 0.98 H new ATOM 734 N SER A 50 8.966 -1.032 -11.233 1.00 0.68 N ATOM 735 CA SER A 50 8.981 -2.445 -11.433 1.00 0.78 C ATOM 736 C SER A 50 9.481 -3.122 -10.150 1.00 0.72 C ATOM 737 O SER A 50 9.013 -4.199 -9.782 1.00 0.86 O ATOM 738 CB SER A 50 9.872 -2.783 -12.629 1.00 0.96 C ATOM 739 OG SER A 50 9.740 -4.133 -13.046 1.00 1.52 O ATOM 0 H SER A 50 9.806 -0.545 -11.547 1.00 0.68 H new ATOM 0 HA SER A 50 7.978 -2.811 -11.650 1.00 0.78 H new ATOM 0 HB2 SER A 50 9.622 -2.124 -13.461 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.912 -2.587 -12.369 1.00 0.96 H new ATOM 0 HG SER A 50 10.328 -4.298 -13.813 1.00 1.52 H new ATOM 745 N PHE A 51 10.409 -2.468 -9.456 1.00 0.64 N ATOM 746 CA PHE A 51 10.972 -3.030 -8.236 1.00 0.68 C ATOM 747 C PHE A 51 10.115 -2.714 -7.027 1.00 0.55 C ATOM 748 O PHE A 51 10.111 -3.466 -6.057 1.00 0.61 O ATOM 749 CB PHE A 51 12.405 -2.546 -7.990 1.00 0.87 C ATOM 750 CG PHE A 51 13.364 -2.883 -9.090 1.00 1.08 C ATOM 751 CD1 PHE A 51 13.518 -4.191 -9.508 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.119 -1.895 -9.696 1.00 1.16 C ATOM 753 CE1 PHE A 51 14.406 -4.508 -10.511 1.00 1.59 C ATOM 754 CE2 PHE A 51 15.005 -2.207 -10.700 1.00 1.37 C ATOM 755 CZ PHE A 51 15.123 -3.498 -11.138 1.00 1.52 C ATOM 0 H PHE A 51 10.783 -1.556 -9.717 1.00 0.64 H new ATOM 0 HA PHE A 51 10.992 -4.110 -8.379 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.393 -1.465 -7.852 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.769 -2.982 -7.060 1.00 0.87 H new ATOM 0 HD1 PHE A 51 12.936 -4.973 -9.043 1.00 1.39 H new ATOM 0 HD2 PHE A 51 14.011 -0.869 -9.377 1.00 1.16 H new ATOM 0 HE1 PHE A 51 14.544 -5.537 -10.809 1.00 1.59 H new ATOM 0 HE2 PHE A 51 15.610 -1.431 -11.144 1.00 1.37 H new ATOM 0 HZ PHE A 51 15.772 -3.731 -11.969 1.00 1.52 H new ATOM 765 N ILE A 52 9.420 -1.601 -7.074 1.00 0.46 N ATOM 766 CA ILE A 52 8.567 -1.189 -5.981 1.00 0.39 C ATOM 767 C ILE A 52 7.142 -1.133 -6.497 1.00 0.37 C ATOM 768 O ILE A 52 6.788 -0.215 -7.248 1.00 0.43 O ATOM 769 CB ILE A 52 8.976 0.223 -5.466 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.480 0.272 -5.142 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.144 0.604 -4.240 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.978 1.636 -4.717 1.00 0.50 C ATOM 0 H ILE A 52 9.429 -0.958 -7.866 1.00 0.46 H new ATOM 0 HA ILE A 52 8.661 -1.897 -5.158 1.00 0.39 H new ATOM 0 HB ILE A 52 8.778 0.948 -6.255 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.693 -0.444 -4.348 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.040 -0.050 -6.020 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.441 1.593 -3.892 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.087 0.616 -4.507 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.310 -0.125 -3.447 1.00 0.41 H new ATOM 0 HD11 ILE A 52 12.046 1.584 -4.507 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.800 2.354 -5.517 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.447 1.954 -3.820 1.00 0.50 H new ATOM 784 N PHE A 53 6.337 -2.085 -6.111 1.00 0.33 N ATOM 785 CA PHE A 53 4.984 -2.169 -6.619 1.00 0.37 C ATOM 786 C PHE A 53 4.034 -2.686 -5.553 1.00 0.31 C ATOM 787 O PHE A 53 4.436 -3.414 -4.633 1.00 0.29 O ATOM 788 CB PHE A 53 4.935 -3.080 -7.876 1.00 0.48 C ATOM 789 CG PHE A 53 5.361 -4.521 -7.648 1.00 1.06 C ATOM 790 CD1 PHE A 53 6.702 -4.873 -7.638 1.00 1.95 C ATOM 791 CD2 PHE A 53 4.414 -5.517 -7.459 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.088 -6.186 -7.439 1.00 2.87 C ATOM 793 CE2 PHE A 53 4.796 -6.832 -7.259 1.00 2.02 C ATOM 794 CZ PHE A 53 6.134 -7.165 -7.251 1.00 2.89 C ATOM 0 H PHE A 53 6.589 -2.816 -5.446 1.00 0.33 H new ATOM 0 HA PHE A 53 4.664 -1.166 -6.900 1.00 0.37 H new ATOM 0 HB2 PHE A 53 3.918 -3.076 -8.268 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.575 -2.646 -8.645 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.454 -4.113 -7.787 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.364 -5.263 -7.468 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.136 -6.445 -7.431 1.00 2.87 H new ATOM 0 HE2 PHE A 53 4.047 -7.596 -7.109 1.00 2.02 H new ATOM 0 HZ PHE A 53 6.435 -8.191 -7.098 1.00 2.89 H new ATOM 804 N THR A 54 2.801 -2.284 -5.652 1.00 0.35 N ATOM 805 CA THR A 54 1.777 -2.738 -4.767 1.00 0.35 C ATOM 806 C THR A 54 1.245 -4.059 -5.298 1.00 0.35 C ATOM 807 O THR A 54 0.644 -4.102 -6.377 1.00 0.40 O ATOM 808 CB THR A 54 0.619 -1.727 -4.731 1.00 0.39 C ATOM 809 OG1 THR A 54 1.149 -0.401 -4.608 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.285 -1.999 -3.557 1.00 0.44 C ATOM 0 H THR A 54 2.478 -1.624 -6.359 1.00 0.35 H new ATOM 0 HA THR A 54 2.186 -2.851 -3.763 1.00 0.35 H new ATOM 0 HB THR A 54 0.046 -1.822 -5.653 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.694 -0.192 -5.395 1.00 0.43 H new ATOM 0 HG21 THR A 54 -1.098 -1.273 -3.548 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.697 -3.005 -3.640 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.285 -1.916 -2.632 1.00 0.44 H new ATOM 818 N GLU A 55 1.489 -5.111 -4.585 1.00 0.36 N ATOM 819 CA GLU A 55 1.028 -6.400 -4.987 1.00 0.42 C ATOM 820 C GLU A 55 -0.220 -6.722 -4.207 1.00 0.44 C ATOM 821 O GLU A 55 -0.237 -6.600 -2.977 1.00 0.57 O ATOM 822 CB GLU A 55 2.096 -7.453 -4.730 1.00 0.60 C ATOM 823 CG GLU A 55 1.719 -8.850 -5.183 1.00 1.21 C ATOM 824 CD GLU A 55 2.770 -9.863 -4.836 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.562 -10.239 -5.725 1.00 1.67 O ATOM 826 OE2 GLU A 55 2.850 -10.285 -3.673 1.00 2.04 O ATOM 0 H GLU A 55 2.012 -5.101 -3.710 1.00 0.36 H new ATOM 0 HA GLU A 55 0.811 -6.397 -6.055 1.00 0.42 H new ATOM 0 HB2 GLU A 55 3.013 -7.154 -5.238 1.00 0.60 H new ATOM 0 HB3 GLU A 55 2.316 -7.477 -3.663 1.00 0.60 H new ATOM 0 HG2 GLU A 55 0.774 -9.137 -4.721 1.00 1.21 H new ATOM 0 HG3 GLU A 55 1.560 -8.850 -6.261 1.00 1.21 H new ATOM 833 N PHE A 56 -1.257 -7.069 -4.901 1.00 0.52 N ATOM 834 CA PHE A 56 -2.496 -7.445 -4.277 1.00 0.62 C ATOM 835 C PHE A 56 -2.638 -8.937 -4.398 1.00 0.73 C ATOM 836 O PHE A 56 -2.328 -9.501 -5.445 1.00 0.87 O ATOM 837 CB PHE A 56 -3.688 -6.762 -4.963 1.00 0.68 C ATOM 838 CG PHE A 56 -3.644 -5.260 -4.953 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.092 -4.548 -3.849 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.147 -4.559 -6.038 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.043 -3.171 -3.831 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.098 -3.184 -6.024 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.580 -2.486 -4.947 1.00 0.61 C ATOM 0 H PHE A 56 -1.273 -7.101 -5.920 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.487 -7.134 -3.232 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.739 -7.103 -5.997 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.606 -7.088 -4.474 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.484 -5.079 -2.994 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.794 -5.097 -6.905 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.363 -2.628 -2.954 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.678 -2.652 -6.865 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.600 -1.406 -4.966 1.00 0.61 H new ATOM 853 N LEU A 57 -3.062 -9.575 -3.351 1.00 0.77 N ATOM 854 CA LEU A 57 -3.271 -11.007 -3.368 1.00 0.93 C ATOM 855 C LEU A 57 -4.739 -11.254 -3.643 1.00 1.04 C ATOM 856 O LEU A 57 -5.521 -10.310 -3.595 1.00 1.04 O ATOM 857 CB LEU A 57 -2.774 -11.656 -2.040 1.00 1.01 C ATOM 858 CG LEU A 57 -3.394 -11.190 -0.708 1.00 0.99 C ATOM 859 CD1 LEU A 57 -4.769 -11.800 -0.489 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.468 -11.521 0.451 1.00 1.16 C ATOM 0 H LEU A 57 -3.275 -9.128 -2.459 1.00 0.77 H new ATOM 0 HA LEU A 57 -2.686 -11.481 -4.156 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -2.932 -12.732 -2.119 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -1.698 -11.496 -1.977 1.00 1.01 H new ATOM 0 HG LEU A 57 -3.520 -10.108 -0.758 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.176 -11.449 0.460 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -5.433 -11.502 -1.301 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -4.686 -12.887 -0.469 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.920 -11.186 1.385 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.307 -12.598 0.492 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.512 -11.017 0.309 1.00 1.16 H new ATOM 872 N GLU A 58 -5.104 -12.476 -3.985 1.00 1.18 N ATOM 873 CA GLU A 58 -6.496 -12.820 -4.284 1.00 1.31 C ATOM 874 C GLU A 58 -7.364 -12.781 -3.023 1.00 1.24 C ATOM 875 O GLU A 58 -7.240 -13.646 -2.155 1.00 1.32 O ATOM 876 CB GLU A 58 -6.579 -14.195 -4.938 1.00 1.61 C ATOM 877 CG GLU A 58 -5.918 -14.266 -6.304 1.00 2.01 C ATOM 878 CD GLU A 58 -6.546 -13.319 -7.298 1.00 2.65 C ATOM 879 OE1 GLU A 58 -6.131 -12.146 -7.370 1.00 3.36 O ATOM 880 OE2 GLU A 58 -7.476 -13.720 -8.023 1.00 2.90 O ATOM 0 H GLU A 58 -4.455 -13.258 -4.065 1.00 1.18 H new ATOM 0 HA GLU A 58 -6.879 -12.074 -4.980 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -6.112 -14.928 -4.280 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -7.627 -14.477 -5.037 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -4.858 -14.033 -6.204 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -5.986 -15.285 -6.685 1.00 2.01 H new ATOM 887 N PRO A 59 -8.233 -11.766 -2.900 1.00 1.21 N ATOM 888 CA PRO A 59 -9.110 -11.592 -1.757 1.00 1.25 C ATOM 889 C PRO A 59 -10.438 -12.315 -1.964 1.00 1.26 C ATOM 890 O PRO A 59 -10.741 -12.801 -3.073 1.00 1.35 O ATOM 891 CB PRO A 59 -9.326 -10.084 -1.754 1.00 1.37 C ATOM 892 CG PRO A 59 -9.360 -9.719 -3.200 1.00 1.39 C ATOM 893 CD PRO A 59 -8.480 -10.710 -3.911 1.00 1.30 C ATOM 0 HA PRO A 59 -8.700 -11.991 -0.829 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -10.256 -9.815 -1.253 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -8.521 -9.567 -1.231 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.379 -9.758 -3.586 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.000 -8.701 -3.352 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -8.970 -11.114 -4.797 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -7.549 -10.250 -4.243 1.00 1.30 H new ATOM 901 N ALA A 60 -11.206 -12.402 -0.920 1.00 1.29 N ATOM 902 CA ALA A 60 -12.519 -12.962 -0.995 1.00 1.40 C ATOM 903 C ALA A 60 -13.483 -11.818 -1.235 1.00 1.40 C ATOM 904 O ALA A 60 -13.340 -10.744 -0.656 1.00 1.33 O ATOM 905 CB ALA A 60 -12.850 -13.685 0.304 1.00 1.53 C ATOM 0 H ALA A 60 -10.937 -12.085 0.011 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.589 -13.690 -1.804 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.852 -14.109 0.239 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -12.128 -14.484 0.470 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.807 -12.980 1.134 1.00 1.53 H new ATOM 911 N ALA A 61 -14.460 -12.053 -2.094 1.00 1.55 N ATOM 912 CA ALA A 61 -15.435 -11.042 -2.506 1.00 1.65 C ATOM 913 C ALA A 61 -16.310 -10.591 -1.342 1.00 1.59 C ATOM 914 O ALA A 61 -16.938 -9.534 -1.393 1.00 1.70 O ATOM 915 CB ALA A 61 -16.290 -11.566 -3.648 1.00 1.91 C ATOM 0 H ALA A 61 -14.605 -12.962 -2.534 1.00 1.55 H new ATOM 0 HA ALA A 61 -14.880 -10.170 -2.852 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.010 -10.803 -3.943 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -15.652 -11.811 -4.497 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -16.822 -12.461 -3.324 1.00 1.91 H new ATOM 921 N ASN A 62 -16.356 -11.390 -0.296 1.00 1.52 N ATOM 922 CA ASN A 62 -17.090 -11.026 0.917 1.00 1.56 C ATOM 923 C ASN A 62 -16.335 -9.995 1.746 1.00 1.33 C ATOM 924 O ASN A 62 -16.901 -9.390 2.653 1.00 1.40 O ATOM 925 CB ASN A 62 -17.438 -12.245 1.805 1.00 1.82 C ATOM 926 CG ASN A 62 -18.570 -13.106 1.262 1.00 2.72 C ATOM 927 OD1 ASN A 62 -19.742 -12.829 1.507 1.00 3.49 O ATOM 928 ND2 ASN A 62 -18.248 -14.165 0.574 1.00 3.19 N ATOM 0 H ASN A 62 -15.896 -12.299 -0.253 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.026 -10.591 0.566 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -16.548 -12.864 1.919 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -17.710 -11.891 2.799 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -18.977 -14.787 0.225 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -17.267 -14.372 0.385 1.00 3.19 H new ATOM 935 N GLU A 63 -15.068 -9.787 1.428 1.00 1.20 N ATOM 936 CA GLU A 63 -14.235 -8.867 2.174 1.00 1.07 C ATOM 937 C GLU A 63 -14.242 -7.494 1.534 1.00 0.90 C ATOM 938 O GLU A 63 -14.110 -7.364 0.306 1.00 0.97 O ATOM 939 CB GLU A 63 -12.791 -9.359 2.216 1.00 1.16 C ATOM 940 CG GLU A 63 -12.616 -10.751 2.765 1.00 1.31 C ATOM 941 CD GLU A 63 -11.175 -11.189 2.749 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.527 -11.242 3.819 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.661 -11.516 1.658 1.00 1.89 O ATOM 0 H GLU A 63 -14.594 -10.248 0.652 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.641 -8.810 3.184 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.381 -9.327 1.207 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.203 -8.668 2.821 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.994 -10.788 3.787 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -13.213 -11.449 2.179 1.00 1.31 H new ATOM 950 N THR A 64 -14.390 -6.480 2.348 1.00 0.80 N ATOM 951 CA THR A 64 -14.280 -5.115 1.898 1.00 0.74 C ATOM 952 C THR A 64 -12.856 -4.629 2.144 1.00 0.59 C ATOM 953 O THR A 64 -12.478 -3.502 1.801 1.00 0.61 O ATOM 954 CB THR A 64 -15.297 -4.218 2.627 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.249 -4.484 4.044 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.702 -4.478 2.103 1.00 1.15 C ATOM 0 H THR A 64 -14.591 -6.577 3.343 1.00 0.80 H new ATOM 0 HA THR A 64 -14.502 -5.064 0.832 1.00 0.74 H new ATOM 0 HB THR A 64 -15.042 -3.174 2.444 1.00 0.90 H new ATOM 0 HG1 THR A 64 -14.356 -4.272 4.386 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.410 -3.837 2.628 1.00 1.15 H new ATOM 0 HG22 THR A 64 -16.738 -4.261 1.035 1.00 1.15 H new ATOM 0 HG23 THR A 64 -16.965 -5.522 2.270 1.00 1.15 H new ATOM 964 N VAL A 65 -12.075 -5.504 2.750 1.00 0.53 N ATOM 965 CA VAL A 65 -10.698 -5.243 3.022 1.00 0.45 C ATOM 966 C VAL A 65 -9.909 -5.630 1.797 1.00 0.42 C ATOM 967 O VAL A 65 -10.084 -6.732 1.257 1.00 0.49 O ATOM 968 CB VAL A 65 -10.156 -6.081 4.204 1.00 0.52 C ATOM 969 CG1 VAL A 65 -8.771 -5.609 4.608 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.108 -6.080 5.381 1.00 0.61 C ATOM 0 H VAL A 65 -12.394 -6.420 3.065 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.600 -4.188 3.279 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.075 -7.114 3.866 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.410 -6.212 5.441 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.090 -5.712 3.763 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -8.817 -4.563 4.911 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.689 -6.680 6.189 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.256 -5.057 5.728 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.065 -6.502 5.075 1.00 0.61 H new ATOM 980 N ARG A 66 -9.082 -4.757 1.349 1.00 0.37 N ATOM 981 CA ARG A 66 -8.254 -5.039 0.223 1.00 0.36 C ATOM 982 C ARG A 66 -6.913 -5.472 0.755 1.00 0.34 C ATOM 983 O ARG A 66 -6.241 -4.722 1.474 1.00 0.41 O ATOM 984 CB ARG A 66 -8.166 -3.826 -0.712 1.00 0.42 C ATOM 985 CG ARG A 66 -9.551 -3.297 -1.100 1.00 1.13 C ATOM 986 CD ARG A 66 -9.509 -2.068 -1.998 1.00 1.10 C ATOM 987 NE ARG A 66 -8.941 -2.335 -3.325 1.00 0.82 N ATOM 988 CZ ARG A 66 -9.661 -2.515 -4.453 1.00 1.15 C ATOM 989 NH1 ARG A 66 -10.993 -2.605 -4.406 1.00 1.61 N ATOM 990 NH2 ARG A 66 -9.043 -2.646 -5.614 1.00 1.84 N ATOM 0 H ARG A 66 -8.956 -3.827 1.748 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.673 -5.840 -0.386 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -7.599 -3.033 -0.224 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.618 -4.102 -1.613 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.103 -4.088 -1.608 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.104 -3.054 -0.193 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.520 -1.678 -2.115 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -8.922 -1.290 -1.510 1.00 1.10 H new ATOM 0 HE ARG A 66 -7.925 -2.389 -3.401 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -11.477 -2.538 -3.511 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -11.526 -2.741 -5.265 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -8.024 -2.611 -5.656 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -9.585 -2.782 -6.468 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.558 -6.698 0.460 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.369 -7.298 1.023 1.00 0.39 C ATOM 1006 C HIS A 67 -4.231 -7.219 0.044 1.00 0.35 C ATOM 1007 O HIS A 67 -4.258 -7.860 -1.017 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.605 -8.768 1.415 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.719 -9.011 2.398 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.557 -8.974 3.764 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -8.014 -9.333 2.195 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.697 -9.269 4.348 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.593 -9.489 3.422 1.00 0.90 N ATOM 0 H HIS A 67 -7.079 -7.306 -0.172 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.118 -6.739 1.925 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.814 -9.337 0.509 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.681 -9.166 1.835 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.502 -9.446 1.238 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.865 -9.321 5.414 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.568 -9.737 3.589 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.252 -6.438 0.379 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.111 -6.298 -0.459 1.00 0.31 C ATOM 1024 C GLY A 68 -0.911 -5.873 0.331 1.00 0.24 C ATOM 1025 O GLY A 68 -1.005 -5.653 1.553 1.00 0.26 O ATOM 0 H GLY A 68 -3.224 -5.885 1.235 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.905 -7.244 -0.959 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.316 -5.564 -1.238 1.00 0.31 H new ATOM 1029 N CYS A 69 0.188 -5.736 -0.331 1.00 0.21 N ATOM 1030 CA CYS A 69 1.416 -5.338 0.290 1.00 0.20 C ATOM 1031 C CYS A 69 2.282 -4.581 -0.702 1.00 0.19 C ATOM 1032 O CYS A 69 2.245 -4.863 -1.909 1.00 0.22 O ATOM 1033 CB CYS A 69 2.168 -6.579 0.795 1.00 0.25 C ATOM 1034 SG CYS A 69 3.863 -6.216 1.332 1.00 0.36 S ATOM 0 H CYS A 69 0.265 -5.899 -1.335 1.00 0.21 H new ATOM 0 HA CYS A 69 1.191 -4.685 1.133 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.616 -7.017 1.626 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.197 -7.326 0.002 1.00 0.25 H new ATOM 1039 N LEU A 70 3.018 -3.595 -0.215 1.00 0.20 N ATOM 1040 CA LEU A 70 3.981 -2.912 -1.041 1.00 0.22 C ATOM 1041 C LEU A 70 5.209 -3.787 -1.077 1.00 0.23 C ATOM 1042 O LEU A 70 5.894 -3.961 -0.053 1.00 0.24 O ATOM 1043 CB LEU A 70 4.334 -1.531 -0.482 1.00 0.24 C ATOM 1044 CG LEU A 70 5.284 -0.682 -1.347 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.669 -0.386 -2.700 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.646 0.612 -0.646 1.00 0.28 C ATOM 0 H LEU A 70 2.962 -3.256 0.745 1.00 0.20 H new ATOM 0 HA LEU A 70 3.571 -2.746 -2.037 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.410 -0.972 -0.335 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.787 -1.662 0.501 1.00 0.24 H new ATOM 0 HG LEU A 70 6.195 -1.261 -1.500 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.361 0.215 -3.290 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.466 -1.322 -3.220 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.737 0.163 -2.564 1.00 0.26 H new ATOM 0 HD21 LEU A 70 6.318 1.193 -1.278 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.740 1.187 -0.454 1.00 0.28 H new ATOM 0 HD23 LEU A 70 6.141 0.388 0.299 1.00 0.28 H new ATOM 1058 N ARG A 71 5.456 -4.365 -2.211 1.00 0.30 N ATOM 1059 CA ARG A 71 6.511 -5.312 -2.366 1.00 0.35 C ATOM 1060 C ARG A 71 7.728 -4.667 -2.939 1.00 0.36 C ATOM 1061 O ARG A 71 7.669 -4.037 -4.004 1.00 0.42 O ATOM 1062 CB ARG A 71 6.073 -6.468 -3.267 1.00 0.51 C ATOM 1063 CG ARG A 71 4.941 -7.308 -2.707 1.00 1.20 C ATOM 1064 CD ARG A 71 5.350 -7.974 -1.417 1.00 1.20 C ATOM 1065 NE ARG A 71 4.308 -8.852 -0.886 1.00 1.43 N ATOM 1066 CZ ARG A 71 4.534 -9.899 -0.095 1.00 1.80 C ATOM 1067 NH1 ARG A 71 5.779 -10.312 0.126 1.00 1.98 N ATOM 1068 NH2 ARG A 71 3.514 -10.561 0.439 1.00 2.68 N ATOM 0 H ARG A 71 4.924 -4.189 -3.063 1.00 0.30 H new ATOM 0 HA ARG A 71 6.752 -5.702 -1.377 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.766 -6.064 -4.232 1.00 0.51 H new ATOM 0 HB3 ARG A 71 6.931 -7.114 -3.451 1.00 0.51 H new ATOM 0 HG2 ARG A 71 4.067 -6.679 -2.535 1.00 1.20 H new ATOM 0 HG3 ARG A 71 4.650 -8.065 -3.435 1.00 1.20 H new ATOM 0 HD2 ARG A 71 6.259 -8.553 -1.583 1.00 1.20 H new ATOM 0 HD3 ARG A 71 5.589 -7.210 -0.677 1.00 1.20 H new ATOM 0 HE ARG A 71 3.341 -8.648 -1.139 1.00 1.43 H new ATOM 0 HH11 ARG A 71 6.562 -9.826 -0.311 1.00 1.98 H new ATOM 0 HH12 ARG A 71 5.950 -11.114 0.732 1.00 1.98 H new ATOM 0 HH21 ARG A 71 2.557 -10.267 0.243 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.688 -11.363 1.045 1.00 2.68 H new ATOM 1082 N LEU A 72 8.808 -4.778 -2.221 1.00 0.37 N ATOM 1083 CA LEU A 72 10.072 -4.338 -2.696 1.00 0.42 C ATOM 1084 C LEU A 72 10.808 -5.561 -3.208 1.00 0.44 C ATOM 1085 O LEU A 72 11.221 -6.436 -2.427 1.00 0.49 O ATOM 1086 CB LEU A 72 10.822 -3.662 -1.547 1.00 0.50 C ATOM 1087 CG LEU A 72 10.104 -2.430 -0.972 1.00 0.70 C ATOM 1088 CD1 LEU A 72 10.656 -2.040 0.377 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.255 -1.285 -1.920 1.00 0.61 C ATOM 0 H LEU A 72 8.828 -5.180 -1.284 1.00 0.37 H new ATOM 0 HA LEU A 72 9.980 -3.611 -3.503 1.00 0.42 H new ATOM 0 HB2 LEU A 72 10.973 -4.388 -0.748 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.810 -3.364 -1.897 1.00 0.50 H new ATOM 0 HG LEU A 72 9.051 -2.682 -0.843 1.00 0.70 H new ATOM 0 HD11 LEU A 72 10.123 -1.165 0.749 1.00 1.23 H new ATOM 0 HD12 LEU A 72 10.529 -2.867 1.075 1.00 1.23 H new ATOM 0 HD13 LEU A 72 11.716 -1.805 0.282 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.747 -0.409 -1.516 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.313 -1.061 -2.055 1.00 0.61 H new ATOM 0 HD23 LEU A 72 9.815 -1.548 -2.882 1.00 0.61 H new ATOM 1101 N ASN A 73 10.932 -5.633 -4.520 1.00 0.56 N ATOM 1102 CA ASN A 73 11.569 -6.761 -5.193 1.00 0.72 C ATOM 1103 C ASN A 73 13.055 -6.703 -4.964 1.00 0.73 C ATOM 1104 O ASN A 73 13.664 -7.649 -4.467 1.00 0.87 O ATOM 1105 CB ASN A 73 11.259 -6.724 -6.697 1.00 0.90 C ATOM 1106 CG ASN A 73 11.833 -7.906 -7.467 1.00 1.41 C ATOM 1107 OD1 ASN A 73 12.961 -7.869 -7.961 1.00 2.18 O ATOM 1108 ND2 ASN A 73 11.070 -8.957 -7.574 1.00 1.84 N ATOM 0 H ASN A 73 10.594 -4.911 -5.156 1.00 0.56 H new ATOM 0 HA ASN A 73 11.179 -7.693 -4.785 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.178 -6.701 -6.836 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.655 -5.800 -7.118 1.00 0.90 H new ATOM 0 HD21 ASN A 73 11.402 -9.779 -8.078 1.00 1.84 H new ATOM 0 HD22 ASN A 73 10.141 -8.957 -7.154 1.00 1.84 H new ATOM 1115 N GLN A 74 13.626 -5.583 -5.312 1.00 0.66 N ATOM 1116 CA GLN A 74 15.014 -5.340 -5.088 1.00 0.72 C ATOM 1117 C GLN A 74 15.144 -4.284 -4.013 1.00 0.66 C ATOM 1118 O GLN A 74 14.832 -3.105 -4.250 1.00 0.69 O ATOM 1119 CB GLN A 74 15.732 -4.926 -6.377 1.00 0.86 C ATOM 1120 CG GLN A 74 15.826 -6.048 -7.411 1.00 1.58 C ATOM 1121 CD GLN A 74 16.594 -7.255 -6.892 1.00 2.11 C ATOM 1122 OE1 GLN A 74 16.025 -8.178 -6.305 1.00 2.82 O ATOM 1123 NE2 GLN A 74 17.878 -7.269 -7.113 1.00 2.58 N ATOM 0 H GLN A 74 13.133 -4.811 -5.762 1.00 0.66 H new ATOM 0 HA GLN A 74 15.496 -6.260 -4.757 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.208 -4.079 -6.819 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.738 -4.585 -6.130 1.00 0.86 H new ATOM 0 HG2 GLN A 74 14.821 -6.357 -7.700 1.00 1.58 H new ATOM 0 HG3 GLN A 74 16.314 -5.670 -8.310 1.00 1.58 H new ATOM 0 HE21 GLN A 74 18.320 -6.490 -7.602 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.441 -8.059 -6.798 1.00 2.58 H new ATOM 1132 N PRO A 75 15.543 -4.705 -2.801 1.00 0.75 N ATOM 1133 CA PRO A 75 15.682 -3.813 -1.645 1.00 0.84 C ATOM 1134 C PRO A 75 16.740 -2.742 -1.894 1.00 0.81 C ATOM 1135 O PRO A 75 17.822 -3.033 -2.419 1.00 0.83 O ATOM 1136 CB PRO A 75 16.155 -4.746 -0.524 1.00 1.06 C ATOM 1137 CG PRO A 75 15.806 -6.111 -0.976 1.00 1.25 C ATOM 1138 CD PRO A 75 15.906 -6.092 -2.458 1.00 0.93 C ATOM 0 HA PRO A 75 14.754 -3.287 -1.420 1.00 0.84 H new ATOM 0 HB2 PRO A 75 17.228 -4.649 -0.359 1.00 1.06 H new ATOM 0 HB3 PRO A 75 15.664 -4.507 0.419 1.00 1.06 H new ATOM 0 HG2 PRO A 75 16.485 -6.849 -0.549 1.00 1.25 H new ATOM 0 HG3 PRO A 75 14.800 -6.382 -0.657 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.912 -6.341 -2.797 1.00 0.93 H new ATOM 0 HD3 PRO A 75 15.228 -6.811 -2.917 1.00 0.93 H new ATOM 1146 N THR A 76 16.430 -1.526 -1.538 1.00 0.86 N ATOM 1147 CA THR A 76 17.319 -0.404 -1.751 1.00 0.90 C ATOM 1148 C THR A 76 17.243 0.559 -0.556 1.00 0.84 C ATOM 1149 O THR A 76 16.246 0.597 0.146 1.00 0.79 O ATOM 1150 CB THR A 76 16.924 0.320 -3.067 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.483 0.401 -3.186 1.00 1.17 O ATOM 1152 CG2 THR A 76 17.501 -0.380 -4.293 1.00 1.22 C ATOM 0 H THR A 76 15.549 -1.278 -1.088 1.00 0.86 H new ATOM 0 HA THR A 76 18.346 -0.759 -1.838 1.00 0.90 H new ATOM 0 HB THR A 76 17.343 1.325 -3.022 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.066 0.007 -2.391 1.00 1.17 H new ATOM 0 HG21 THR A 76 17.202 0.157 -5.193 1.00 1.22 H new ATOM 0 HG22 THR A 76 18.589 -0.396 -4.225 1.00 1.22 H new ATOM 0 HG23 THR A 76 17.125 -1.402 -4.339 1.00 1.22 H new ATOM 1160 N HIS A 77 18.302 1.336 -0.333 1.00 0.92 N ATOM 1161 CA HIS A 77 18.374 2.271 0.810 1.00 0.94 C ATOM 1162 C HIS A 77 17.477 3.485 0.628 1.00 0.81 C ATOM 1163 O HIS A 77 17.383 4.319 1.505 1.00 0.85 O ATOM 1164 CB HIS A 77 19.833 2.664 1.196 1.00 1.20 C ATOM 1165 CG HIS A 77 20.622 3.456 0.182 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.500 2.880 -0.704 1.00 1.98 N ATOM 1167 CD2 HIS A 77 20.707 4.791 -0.032 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.089 3.814 -1.412 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.629 4.985 -1.025 1.00 1.72 N ATOM 0 H HIS A 77 19.131 1.343 -0.927 1.00 0.92 H new ATOM 0 HA HIS A 77 17.981 1.718 1.663 1.00 0.94 H new ATOM 0 HB2 HIS A 77 19.795 3.240 2.120 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.384 1.749 1.413 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.151 5.559 0.485 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.827 3.650 -2.183 1.00 2.03 H new ATOM 0 HE2 HIS A 77 21.913 5.889 -1.403 1.00 1.72 H new ATOM 1178 N VAL A 78 16.853 3.591 -0.542 1.00 0.83 N ATOM 1179 CA VAL A 78 15.821 4.605 -0.778 1.00 0.92 C ATOM 1180 C VAL A 78 14.496 4.167 -0.156 1.00 0.90 C ATOM 1181 O VAL A 78 13.565 4.931 -0.075 1.00 1.08 O ATOM 1182 CB VAL A 78 15.599 4.952 -2.280 1.00 1.15 C ATOM 1183 CG1 VAL A 78 16.818 5.624 -2.866 1.00 1.33 C ATOM 1184 CG2 VAL A 78 15.225 3.720 -3.092 1.00 1.14 C ATOM 0 H VAL A 78 17.042 2.989 -1.343 1.00 0.83 H new ATOM 0 HA VAL A 78 16.189 5.514 -0.301 1.00 0.92 H new ATOM 0 HB VAL A 78 14.763 5.649 -2.331 1.00 1.15 H new ATOM 0 HG11 VAL A 78 16.637 5.856 -3.916 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.023 6.546 -2.321 1.00 1.33 H new ATOM 0 HG13 VAL A 78 17.676 4.956 -2.785 1.00 1.33 H new ATOM 0 HG21 VAL A 78 15.078 4.002 -4.135 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.025 2.983 -3.025 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.303 3.291 -2.699 1.00 1.14 H new ATOM 1194 N ASN A 79 14.441 2.918 0.289 1.00 0.78 N ATOM 1195 CA ASN A 79 13.244 2.335 0.923 1.00 0.90 C ATOM 1196 C ASN A 79 13.274 2.618 2.410 1.00 0.78 C ATOM 1197 O ASN A 79 12.720 1.890 3.224 1.00 0.96 O ATOM 1198 CB ASN A 79 13.200 0.818 0.678 1.00 1.13 C ATOM 1199 CG ASN A 79 13.167 0.450 -0.798 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.757 -0.560 -1.216 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.466 1.220 -1.595 1.00 1.22 N ATOM 0 H ASN A 79 15.225 2.269 0.224 1.00 0.78 H new ATOM 0 HA ASN A 79 12.352 2.784 0.487 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.072 0.356 1.142 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.320 0.402 1.169 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.394 0.996 -2.587 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.992 2.043 -1.222 1.00 1.22 H new ATOM 1208 N ASN A 80 13.938 3.679 2.736 1.00 0.64 N ATOM 1209 CA ASN A 80 14.175 4.089 4.079 1.00 0.59 C ATOM 1210 C ASN A 80 13.572 5.469 4.241 1.00 0.56 C ATOM 1211 O ASN A 80 14.233 6.485 3.994 1.00 0.88 O ATOM 1212 CB ASN A 80 15.691 4.151 4.283 1.00 0.72 C ATOM 1213 CG ASN A 80 16.117 4.302 5.715 1.00 1.05 C ATOM 1214 OD1 ASN A 80 15.456 3.831 6.629 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.232 4.941 5.919 1.00 1.43 N ATOM 0 H ASN A 80 14.346 4.308 2.045 1.00 0.64 H new ATOM 0 HA ASN A 80 13.736 3.404 4.804 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.138 3.243 3.877 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.089 4.987 3.708 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.583 5.063 6.869 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.755 5.319 5.129 1.00 1.43 H new ATOM 1222 N GLY A 81 12.316 5.517 4.586 1.00 0.46 N ATOM 1223 CA GLY A 81 11.648 6.783 4.710 1.00 0.49 C ATOM 1224 C GLY A 81 10.183 6.621 4.978 1.00 0.43 C ATOM 1225 O GLY A 81 9.724 5.517 5.284 1.00 0.40 O ATOM 0 H GLY A 81 11.737 4.701 4.785 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.103 7.355 5.518 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.788 7.358 3.794 1.00 0.49 H new ATOM 1229 N ASN A 82 9.450 7.700 4.853 1.00 0.45 N ATOM 1230 CA ASN A 82 8.030 7.715 5.151 1.00 0.44 C ATOM 1231 C ASN A 82 7.209 7.391 3.921 1.00 0.37 C ATOM 1232 O ASN A 82 7.092 8.213 2.996 1.00 0.46 O ATOM 1233 CB ASN A 82 7.605 9.089 5.705 1.00 0.56 C ATOM 1234 CG ASN A 82 6.119 9.161 6.064 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.506 8.167 6.465 1.00 2.23 O ATOM 1236 ND2 ASN A 82 5.536 10.324 5.930 1.00 1.65 N ATOM 0 H ASN A 82 9.818 8.598 4.541 1.00 0.45 H new ATOM 0 HA ASN A 82 7.846 6.950 5.906 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.198 9.315 6.591 1.00 0.56 H new ATOM 0 HB3 ASN A 82 7.831 9.857 4.966 1.00 0.56 H new ATOM 0 HD21 ASN A 82 4.548 10.428 6.159 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.070 11.127 5.596 1.00 1.65 H new ATOM 1243 N TYR A 83 6.669 6.208 3.903 1.00 0.29 N ATOM 1244 CA TYR A 83 5.773 5.793 2.870 1.00 0.27 C ATOM 1245 C TYR A 83 4.354 6.030 3.354 1.00 0.28 C ATOM 1246 O TYR A 83 3.936 5.497 4.376 1.00 0.47 O ATOM 1247 CB TYR A 83 5.978 4.309 2.488 1.00 0.34 C ATOM 1248 CG TYR A 83 7.261 4.008 1.715 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.393 4.311 0.356 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.349 3.432 2.359 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.573 4.039 -0.324 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.523 3.161 1.680 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.572 3.456 0.253 1.00 0.60 C ATOM 1254 OH TYR A 83 10.820 3.194 -0.307 1.00 0.69 O ATOM 0 H TYR A 83 6.842 5.498 4.614 1.00 0.29 H new ATOM 0 HA TYR A 83 5.972 6.375 1.970 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.973 3.712 3.400 1.00 0.34 H new ATOM 0 HB3 TYR A 83 5.127 3.984 1.889 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.566 4.763 -0.172 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.277 3.191 3.409 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.658 4.322 -1.363 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.378 2.743 2.191 1.00 0.55 H new ATOM 0 HH TYR A 83 11.307 4.036 -0.430 1.00 0.69 H new ATOM 1264 N THR A 84 3.659 6.875 2.683 1.00 0.22 N ATOM 1265 CA THR A 84 2.309 7.178 3.028 1.00 0.23 C ATOM 1266 C THR A 84 1.371 6.543 2.014 1.00 0.22 C ATOM 1267 O THR A 84 1.595 6.651 0.805 1.00 0.26 O ATOM 1268 CB THR A 84 2.106 8.706 3.074 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.023 9.273 4.029 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.670 9.086 3.437 1.00 0.33 C ATOM 0 H THR A 84 4.010 7.383 1.871 1.00 0.22 H new ATOM 0 HA THR A 84 2.087 6.773 4.015 1.00 0.23 H new ATOM 0 HB THR A 84 2.301 9.105 2.078 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.901 10.245 4.063 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.575 10.172 3.457 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.014 8.676 2.694 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.424 8.682 4.419 1.00 0.33 H new ATOM 1278 N LEU A 85 0.368 5.862 2.499 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.607 5.259 1.649 1.00 0.19 C ATOM 1280 C LEU A 85 -1.848 6.103 1.655 1.00 0.18 C ATOM 1281 O LEU A 85 -2.435 6.368 2.717 1.00 0.19 O ATOM 1282 CB LEU A 85 -0.938 3.827 2.085 1.00 0.20 C ATOM 1283 CG LEU A 85 -1.945 3.074 1.213 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.432 2.960 -0.190 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.207 1.700 1.770 1.00 0.22 C ATOM 0 H LEU A 85 0.209 5.713 3.495 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.197 5.201 0.641 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.011 3.254 2.112 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.323 3.859 3.104 1.00 0.20 H new ATOM 0 HG LEU A 85 -2.879 3.635 1.209 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.158 2.422 -0.800 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.278 3.957 -0.603 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.486 2.418 -0.189 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.926 1.181 1.136 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.275 1.136 1.799 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.610 1.787 2.779 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.203 6.555 0.507 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.370 7.344 0.309 1.00 0.22 C ATOM 1299 C LEU A 86 -4.409 6.464 -0.330 1.00 0.22 C ATOM 1300 O LEU A 86 -4.086 5.671 -1.219 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.103 8.536 -0.661 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.055 9.611 -0.285 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.329 10.219 1.062 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.632 9.098 -0.375 1.00 0.32 C ATOM 0 H LEU A 86 -1.675 6.382 -0.348 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.689 7.743 1.272 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.807 8.114 -1.621 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.053 9.048 -0.817 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.155 10.400 -1.030 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.569 10.968 1.285 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.312 10.690 1.055 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.305 9.440 1.824 1.00 0.36 H new ATOM 0 HD21 LEU A 86 0.060 9.894 -0.100 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.505 8.256 0.306 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.426 8.774 -1.395 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.608 6.550 0.132 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.692 5.893 -0.524 1.00 0.23 C ATOM 1318 C ALA A 87 -7.696 6.945 -0.849 1.00 0.29 C ATOM 1319 O ALA A 87 -8.225 7.597 0.050 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.311 4.824 0.369 1.00 0.24 C ATOM 0 H ALA A 87 -5.867 7.073 0.969 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.343 5.387 -1.424 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.134 4.341 -0.158 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.556 4.080 0.622 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.686 5.286 1.282 1.00 0.24 H new ATOM 1326 N ALA A 88 -7.970 7.108 -2.101 1.00 0.36 N ATOM 1327 CA ALA A 88 -8.884 8.119 -2.538 1.00 0.45 C ATOM 1328 C ALA A 88 -10.207 7.510 -2.837 1.00 0.37 C ATOM 1329 O ALA A 88 -10.295 6.517 -3.572 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.350 8.855 -3.748 1.00 0.61 C ATOM 0 H ALA A 88 -7.569 6.546 -2.852 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.001 8.847 -1.735 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.067 9.616 -4.056 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -7.402 9.330 -3.496 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.197 8.149 -4.565 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.212 8.063 -2.246 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.551 7.626 -2.432 1.00 0.58 C ATOM 1338 C ASN A 89 -13.444 8.828 -2.232 1.00 0.57 C ATOM 1339 O ASN A 89 -13.198 9.656 -1.346 1.00 0.55 O ATOM 1340 CB ASN A 89 -12.908 6.547 -1.403 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.286 5.988 -1.642 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -15.277 6.515 -1.141 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.357 4.929 -2.398 1.00 1.18 N ATOM 0 H ASN A 89 -11.121 8.851 -1.605 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.677 7.200 -3.428 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -12.175 5.742 -1.450 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.855 6.969 -0.399 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -15.263 4.503 -2.595 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.507 4.526 -2.792 1.00 1.18 H new ATOM 1350 N PRO A 90 -14.458 8.966 -3.130 1.00 0.64 N ATOM 1351 CA PRO A 90 -15.431 10.069 -3.149 1.00 0.68 C ATOM 1352 C PRO A 90 -15.989 10.479 -1.786 1.00 0.56 C ATOM 1353 O PRO A 90 -16.266 11.660 -1.567 1.00 0.63 O ATOM 1354 CB PRO A 90 -16.564 9.510 -4.007 1.00 0.81 C ATOM 1355 CG PRO A 90 -15.895 8.611 -4.979 1.00 1.00 C ATOM 1356 CD PRO A 90 -14.699 8.037 -4.274 1.00 0.74 C ATOM 0 HA PRO A 90 -14.954 10.978 -3.516 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -17.289 8.967 -3.400 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -17.107 10.308 -4.514 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -16.570 7.820 -5.304 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -15.593 9.160 -5.871 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -14.892 7.022 -3.927 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -13.834 7.989 -4.935 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.176 9.532 -0.884 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.763 9.869 0.402 1.00 0.50 C ATOM 1366 C CYS A 91 -15.705 10.209 1.421 1.00 0.46 C ATOM 1367 O CYS A 91 -15.902 11.071 2.275 1.00 0.61 O ATOM 1368 CB CYS A 91 -17.646 8.743 0.906 1.00 0.61 C ATOM 1369 SG CYS A 91 -16.783 7.224 1.429 1.00 1.10 S ATOM 0 H CYS A 91 -15.938 8.548 -1.011 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.382 10.754 0.256 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -18.229 9.114 1.749 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -18.354 8.483 0.119 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.585 9.559 1.317 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.530 9.785 2.267 1.00 0.58 C ATOM 1376 C GLY A 92 -12.199 9.308 1.771 1.00 0.49 C ATOM 1377 O GLY A 92 -12.083 8.191 1.257 1.00 0.59 O ATOM 0 H GLY A 92 -14.376 8.873 0.592 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.470 10.850 2.492 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.770 9.275 3.200 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.212 10.152 1.892 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.868 9.825 1.510 1.00 0.42 C ATOM 1383 C GLN A 93 -9.058 9.553 2.755 1.00 0.41 C ATOM 1384 O GLN A 93 -9.035 10.364 3.681 1.00 0.56 O ATOM 1385 CB GLN A 93 -9.247 10.955 0.683 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.784 10.742 0.315 1.00 0.58 C ATOM 1387 CD GLN A 93 -7.226 11.831 -0.576 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -7.940 12.432 -1.384 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.961 12.102 -0.431 1.00 1.33 N ATOM 0 H GLN A 93 -11.320 11.096 2.263 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.874 8.933 0.884 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.824 11.076 -0.233 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -9.336 11.887 1.241 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.191 10.690 1.228 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.679 9.781 -0.189 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.403 11.584 0.247 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.528 12.833 -0.996 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.428 8.426 2.788 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.653 8.029 3.926 1.00 0.33 C ATOM 1400 C ALA A 94 -6.185 8.166 3.617 1.00 0.31 C ATOM 1401 O ALA A 94 -5.777 8.079 2.452 1.00 0.30 O ATOM 1402 CB ALA A 94 -7.977 6.607 4.297 1.00 0.37 C ATOM 0 H ALA A 94 -8.433 7.749 2.025 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.898 8.675 4.769 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.384 6.313 5.163 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.037 6.527 4.539 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.745 5.950 3.458 1.00 0.37 H new ATOM 1408 N SER A 95 -5.399 8.379 4.635 1.00 0.36 N ATOM 1409 CA SER A 95 -3.986 8.534 4.485 1.00 0.37 C ATOM 1410 C SER A 95 -3.268 8.071 5.739 1.00 0.38 C ATOM 1411 O SER A 95 -3.515 8.583 6.828 1.00 0.57 O ATOM 1412 CB SER A 95 -3.666 9.996 4.163 1.00 0.43 C ATOM 1413 OG SER A 95 -4.344 10.885 5.045 1.00 0.50 O ATOM 0 H SER A 95 -5.727 8.450 5.598 1.00 0.36 H new ATOM 0 HA SER A 95 -3.635 7.914 3.660 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.591 10.159 4.236 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.952 10.214 3.134 1.00 0.43 H new ATOM 0 HG SER A 95 -4.322 10.523 5.955 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.411 7.107 5.589 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.660 6.581 6.704 1.00 0.27 C ATOM 1421 C ALA A 96 -0.190 6.682 6.389 1.00 0.23 C ATOM 1422 O ALA A 96 0.195 6.526 5.238 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.054 5.143 6.964 1.00 0.30 C ATOM 0 H ALA A 96 -2.208 6.659 4.695 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.877 7.157 7.603 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.482 4.756 7.807 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.118 5.093 7.194 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.846 4.543 6.078 1.00 0.30 H new ATOM 1429 N SER A 97 0.621 6.954 7.375 1.00 0.26 N ATOM 1430 CA SER A 97 2.043 7.097 7.164 1.00 0.28 C ATOM 1431 C SER A 97 2.799 5.966 7.879 1.00 0.25 C ATOM 1432 O SER A 97 2.407 5.546 8.983 1.00 0.38 O ATOM 1433 CB SER A 97 2.486 8.456 7.703 1.00 0.41 C ATOM 1434 OG SER A 97 1.664 9.508 7.185 1.00 1.26 O ATOM 0 H SER A 97 0.322 7.083 8.342 1.00 0.26 H new ATOM 0 HA SER A 97 2.267 7.037 6.099 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.435 8.453 8.792 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.526 8.636 7.433 1.00 0.41 H new ATOM 0 HG SER A 97 1.966 10.367 7.546 1.00 1.26 H new ATOM 1440 N ILE A 98 3.822 5.443 7.246 1.00 0.25 N ATOM 1441 CA ILE A 98 4.655 4.433 7.849 1.00 0.28 C ATOM 1442 C ILE A 98 6.107 4.699 7.436 1.00 0.28 C ATOM 1443 O ILE A 98 6.435 4.755 6.249 1.00 0.30 O ATOM 1444 CB ILE A 98 4.147 2.961 7.470 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.857 1.819 8.270 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.219 2.689 5.966 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.292 1.502 7.878 1.00 0.37 C ATOM 0 H ILE A 98 4.099 5.706 6.300 1.00 0.25 H new ATOM 0 HA ILE A 98 4.593 4.485 8.936 1.00 0.28 H new ATOM 0 HB ILE A 98 3.100 2.947 7.771 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.844 2.085 9.327 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.266 0.910 8.162 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.864 1.679 5.762 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.594 3.408 5.436 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.251 2.786 5.628 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.671 0.695 8.505 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.324 1.195 6.833 1.00 0.37 H new ATOM 0 HD13 ILE A 98 6.911 2.389 8.015 1.00 0.37 H new ATOM 1459 N MET A 99 6.951 4.949 8.395 1.00 0.34 N ATOM 1460 CA MET A 99 8.342 5.151 8.100 1.00 0.41 C ATOM 1461 C MET A 99 9.082 3.863 8.277 1.00 0.40 C ATOM 1462 O MET A 99 9.262 3.378 9.396 1.00 0.51 O ATOM 1463 CB MET A 99 8.962 6.277 8.935 1.00 0.59 C ATOM 1464 CG MET A 99 10.460 6.467 8.705 1.00 0.85 C ATOM 1465 SD MET A 99 11.126 7.931 9.536 1.00 1.25 S ATOM 1466 CE MET A 99 10.315 9.249 8.616 1.00 1.18 C ATOM 0 H MET A 99 6.704 5.018 9.382 1.00 0.34 H new ATOM 0 HA MET A 99 8.425 5.470 7.061 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.448 7.211 8.706 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.790 6.069 9.991 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.991 5.583 9.058 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.650 6.546 7.635 1.00 0.85 H new ATOM 0 HE1 MET A 99 10.866 10.180 8.751 1.00 1.18 H new ATOM 0 HE2 MET A 99 10.291 8.992 7.557 1.00 1.18 H new ATOM 0 HE3 MET A 99 9.296 9.375 8.982 1.00 1.18 H new ATOM 1476 N ALA A 100 9.488 3.304 7.183 1.00 0.42 N ATOM 1477 CA ALA A 100 10.181 2.066 7.196 1.00 0.48 C ATOM 1478 C ALA A 100 11.652 2.338 7.289 1.00 0.48 C ATOM 1479 O ALA A 100 12.235 2.950 6.390 1.00 0.57 O ATOM 1480 CB ALA A 100 9.859 1.266 5.941 1.00 0.58 C ATOM 0 H ALA A 100 9.345 3.699 6.253 1.00 0.42 H new ATOM 0 HA ALA A 100 9.867 1.476 8.057 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.398 0.319 5.965 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.787 1.073 5.898 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.161 1.833 5.061 1.00 0.58 H new ATOM 1486 N ALA A 101 12.231 1.955 8.392 1.00 0.56 N ATOM 1487 CA ALA A 101 13.640 2.091 8.571 1.00 0.65 C ATOM 1488 C ALA A 101 14.284 0.850 8.017 1.00 0.66 C ATOM 1489 O ALA A 101 14.295 -0.212 8.652 1.00 0.77 O ATOM 1490 CB ALA A 101 13.972 2.272 10.037 1.00 0.84 C ATOM 0 H ALA A 101 11.739 1.543 9.185 1.00 0.56 H new ATOM 0 HA ALA A 101 14.014 2.972 8.049 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.051 2.374 10.156 1.00 0.84 H new ATOM 0 HB2 ALA A 101 13.479 3.168 10.414 1.00 0.84 H new ATOM 0 HB3 ALA A 101 13.626 1.404 10.598 1.00 0.84 H new ATOM 1496 N PHE A 102 14.802 1.004 6.828 1.00 0.75 N ATOM 1497 CA PHE A 102 15.384 -0.070 6.056 1.00 0.87 C ATOM 1498 C PHE A 102 16.639 -0.620 6.726 1.00 1.20 C ATOM 1499 O PHE A 102 16.624 -1.715 7.279 1.00 2.05 O ATOM 1500 CB PHE A 102 15.682 0.441 4.630 1.00 0.97 C ATOM 1501 CG PHE A 102 16.319 -0.559 3.708 1.00 1.69 C ATOM 1502 CD1 PHE A 102 15.591 -1.615 3.212 1.00 2.20 C ATOM 1503 CD2 PHE A 102 17.647 -0.426 3.330 1.00 2.45 C ATOM 1504 CE1 PHE A 102 16.168 -2.524 2.361 1.00 3.25 C ATOM 1505 CE2 PHE A 102 18.232 -1.336 2.478 1.00 3.51 C ATOM 1506 CZ PHE A 102 17.491 -2.388 1.993 1.00 3.86 C ATOM 0 H PHE A 102 14.833 1.906 6.352 1.00 0.75 H new ATOM 0 HA PHE A 102 14.675 -0.896 5.998 1.00 0.87 H new ATOM 0 HB2 PHE A 102 14.748 0.780 4.181 1.00 0.97 H new ATOM 0 HB3 PHE A 102 16.335 1.310 4.703 1.00 0.97 H new ATOM 0 HD1 PHE A 102 14.555 -1.730 3.495 1.00 2.20 H new ATOM 0 HD2 PHE A 102 18.229 0.401 3.708 1.00 2.45 H new ATOM 0 HE1 PHE A 102 15.585 -3.348 1.978 1.00 3.25 H new ATOM 0 HE2 PHE A 102 19.267 -1.224 2.192 1.00 3.51 H new ATOM 0 HZ PHE A 102 17.944 -3.106 1.325 1.00 3.86 H new