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= -0.0414 USER MOD Set 2.1: A 76 THR OG1 : rot -45:sc= 0.552 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.38 K(o=-0.75,f=-6.9!) USER MOD Set 2.3: A 83 TYR OH : rot 154:sc= -0.922 USER MOD Single : A 7 SER OG : rot -21:sc= 0.25 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.127 X(o=0.13,f=-0.062) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 20 MET CE :methyl -171:sc= 0 (180deg=-0.149) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.526 K(o=-0.53,f=-1.5) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.48) USER MOD Single : A 44 SER OG : rot 14:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.291 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 150:sc= 0.0202 USER MOD Single : A 62 ASN : amide:sc= -0.192 K(o=-0.19,f=-0.87) USER MOD Single : A 64 THR OG1 : rot -169:sc= 0.14 USER MOD Single : A 67 HIS : no HD1:sc= 1.04 K(o=1,f=-6.1!) USER MOD Single : A 73 ASN : amide:sc= -0.626 K(o=-0.63,f=-6.2!) USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 1.11 K(o=1.1,f=-4.6!) USER MOD Single : A 82 ASN : amide:sc= -1.98! C(o=-2!,f=-11!) USER MOD Single : A 89 ASN : amide:sc= -1.83! C(o=-1.8!,f=-6.8!) USER MOD Single : A 93 GLN : amide:sc= -0.802 X(o=-0.8,f=-0.66) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.105 1.234 1.626 1.00 1.06 N ATOM 80 CA SER A 7 -20.979 1.942 1.261 1.00 0.91 C ATOM 81 C SER A 7 -20.067 2.109 2.455 1.00 0.81 C ATOM 82 O SER A 7 -20.298 2.932 3.350 1.00 0.91 O ATOM 83 CB SER A 7 -21.417 3.247 0.603 1.00 1.01 C ATOM 84 OG SER A 7 -22.387 3.929 1.395 1.00 1.58 O ATOM 0 HA SER A 7 -20.385 1.405 0.521 1.00 0.91 H new ATOM 0 HB2 SER A 7 -20.550 3.890 0.454 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.832 3.038 -0.383 1.00 1.01 H new ATOM 0 HG SER A 7 -22.816 3.294 2.006 1.00 1.58 H new ATOM 90 N PHE A 8 -19.086 1.251 2.516 1.00 0.75 N ATOM 91 CA PHE A 8 -18.072 1.341 3.515 1.00 0.70 C ATOM 92 C PHE A 8 -17.048 2.323 3.043 1.00 0.53 C ATOM 93 O PHE A 8 -16.597 2.251 1.894 1.00 0.54 O ATOM 94 CB PHE A 8 -17.427 -0.023 3.791 1.00 0.85 C ATOM 95 CG PHE A 8 -18.329 -1.013 4.472 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.988 -1.995 3.752 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.501 -0.972 5.845 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.795 -2.910 4.390 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.313 -1.884 6.482 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.958 -2.854 5.753 1.00 0.96 C ATOM 0 H PHE A 8 -18.972 0.470 1.870 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.515 1.673 4.454 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.089 -0.449 2.846 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.541 0.127 4.408 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.868 -2.044 2.680 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -17.992 -0.215 6.424 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.301 -3.673 3.818 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -19.443 -1.837 7.553 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.593 -3.572 6.251 1.00 0.96 H new ATOM 110 N CYS A 9 -16.728 3.238 3.890 1.00 0.49 N ATOM 111 CA CYS A 9 -15.796 4.286 3.591 1.00 0.44 C ATOM 112 C CYS A 9 -14.390 3.753 3.847 1.00 0.37 C ATOM 113 O CYS A 9 -14.236 2.719 4.493 1.00 0.40 O ATOM 114 CB CYS A 9 -16.129 5.466 4.489 1.00 0.62 C ATOM 115 SG CYS A 9 -17.910 5.908 4.467 1.00 1.32 S ATOM 0 H CYS A 9 -17.112 3.286 4.834 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.853 4.612 2.553 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.832 5.232 5.511 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.543 6.330 4.176 1.00 0.62 H new ATOM 120 N ALA A 10 -13.379 4.455 3.393 1.00 0.35 N ATOM 121 CA ALA A 10 -12.044 3.911 3.423 1.00 0.35 C ATOM 122 C ALA A 10 -11.288 4.326 4.640 1.00 0.29 C ATOM 123 O ALA A 10 -11.225 5.515 4.992 1.00 0.34 O ATOM 124 CB ALA A 10 -11.259 4.300 2.186 1.00 0.45 C ATOM 0 H ALA A 10 -13.454 5.394 3.002 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.161 2.828 3.448 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.258 3.873 2.241 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.766 3.921 1.299 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.188 5.386 2.127 1.00 0.45 H new ATOM 130 N SER A 11 -10.729 3.346 5.273 1.00 0.27 N ATOM 131 CA SER A 11 -9.876 3.523 6.400 1.00 0.27 C ATOM 132 C SER A 11 -8.567 2.829 6.050 1.00 0.23 C ATOM 133 O SER A 11 -8.582 1.720 5.488 1.00 0.25 O ATOM 134 CB SER A 11 -10.530 2.903 7.643 1.00 0.37 C ATOM 135 OG SER A 11 -9.833 3.217 8.844 1.00 1.19 O ATOM 0 H SER A 11 -10.859 2.369 5.010 1.00 0.27 H new ATOM 0 HA SER A 11 -9.700 4.575 6.626 1.00 0.27 H new ATOM 0 HB2 SER A 11 -11.558 3.256 7.722 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.572 1.820 7.525 1.00 0.37 H new ATOM 0 HG SER A 11 -10.289 2.801 9.605 1.00 1.19 H new ATOM 141 N VAL A 12 -7.455 3.462 6.339 1.00 0.23 N ATOM 142 CA VAL A 12 -6.168 2.935 5.951 1.00 0.22 C ATOM 143 C VAL A 12 -5.336 2.577 7.164 1.00 0.24 C ATOM 144 O VAL A 12 -5.174 3.381 8.091 1.00 0.29 O ATOM 145 CB VAL A 12 -5.379 3.932 5.032 1.00 0.23 C ATOM 146 CG1 VAL A 12 -3.990 3.426 4.737 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.092 4.114 3.723 1.00 0.27 C ATOM 0 H VAL A 12 -7.416 4.347 6.844 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.359 2.029 5.377 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.316 4.879 5.568 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.471 4.140 4.098 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.440 3.307 5.671 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.054 2.464 4.229 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.532 4.809 3.097 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.173 3.153 3.216 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.090 4.513 3.905 1.00 0.27 H new ATOM 157 N GLN A 13 -4.866 1.358 7.166 1.00 0.24 N ATOM 158 CA GLN A 13 -3.994 0.842 8.174 1.00 0.29 C ATOM 159 C GLN A 13 -2.702 0.383 7.524 1.00 0.26 C ATOM 160 O GLN A 13 -2.722 -0.470 6.633 1.00 0.32 O ATOM 161 CB GLN A 13 -4.651 -0.343 8.883 1.00 0.40 C ATOM 162 CG GLN A 13 -5.847 0.014 9.748 1.00 0.68 C ATOM 163 CD GLN A 13 -5.451 0.835 10.954 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.120 0.280 12.002 1.00 2.18 O ATOM 165 NE2 GLN A 13 -5.490 2.137 10.835 1.00 2.06 N ATOM 0 H GLN A 13 -5.090 0.678 6.439 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.789 1.624 8.905 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -4.967 -1.067 8.132 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -3.904 -0.835 9.506 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.571 0.570 9.153 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.341 -0.900 10.078 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -5.769 2.560 9.950 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -5.241 2.729 11.627 1.00 2.06 H new ATOM 174 N LEU A 14 -1.609 0.960 7.935 1.00 0.28 N ATOM 175 CA LEU A 14 -0.296 0.571 7.450 1.00 0.25 C ATOM 176 C LEU A 14 0.459 -0.078 8.567 1.00 0.25 C ATOM 177 O LEU A 14 0.273 0.283 9.726 1.00 0.33 O ATOM 178 CB LEU A 14 0.482 1.776 6.902 1.00 0.24 C ATOM 179 CG LEU A 14 0.071 2.263 5.513 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.744 3.571 5.181 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.464 1.239 4.485 1.00 0.25 C ATOM 0 H LEU A 14 -1.593 1.717 8.618 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.418 -0.133 6.627 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.372 2.604 7.603 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.541 1.519 6.876 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.009 2.410 5.508 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.436 3.897 4.188 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.458 4.324 5.915 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.826 3.439 5.200 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.171 1.587 3.494 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.544 1.091 4.513 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.037 0.295 4.701 1.00 0.25 H new ATOM 193 N HIS A 15 1.269 -1.050 8.251 1.00 0.21 N ATOM 194 CA HIS A 15 2.022 -1.750 9.263 1.00 0.24 C ATOM 195 C HIS A 15 3.467 -1.873 8.869 1.00 0.21 C ATOM 196 O HIS A 15 3.806 -1.830 7.686 1.00 0.22 O ATOM 197 CB HIS A 15 1.418 -3.130 9.586 1.00 0.34 C ATOM 198 CG HIS A 15 0.153 -3.073 10.407 1.00 0.54 C ATOM 199 ND1 HIS A 15 0.131 -3.300 11.763 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.132 -2.823 10.056 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.100 -3.194 12.209 1.00 1.03 C ATOM 202 NE2 HIS A 15 -1.888 -2.905 11.195 1.00 0.83 N ATOM 0 H HIS A 15 1.427 -1.379 7.298 1.00 0.21 H new ATOM 0 HA HIS A 15 1.965 -1.155 10.174 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.209 -3.651 8.652 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.160 -3.723 10.122 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.493 -2.600 9.063 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -1.413 -3.322 13.235 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -2.897 -2.765 11.249 1.00 0.83 H new ATOM 211 N THR A 16 4.306 -1.992 9.880 1.00 0.26 N ATOM 212 CA THR A 16 5.740 -2.068 9.735 1.00 0.29 C ATOM 213 C THR A 16 6.163 -3.271 8.859 1.00 0.25 C ATOM 214 O THR A 16 5.648 -4.390 9.017 1.00 0.27 O ATOM 215 CB THR A 16 6.370 -2.187 11.131 1.00 0.38 C ATOM 216 OG1 THR A 16 5.784 -1.184 11.986 1.00 0.49 O ATOM 217 CG2 THR A 16 7.874 -1.952 11.069 1.00 0.47 C ATOM 0 H THR A 16 3.996 -2.039 10.851 1.00 0.26 H new ATOM 0 HA THR A 16 6.089 -1.164 9.236 1.00 0.29 H new ATOM 0 HB THR A 16 6.185 -3.190 11.517 1.00 0.38 H new ATOM 0 HG1 THR A 16 6.175 -1.249 12.882 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.298 -2.041 12.069 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.331 -2.693 10.414 1.00 0.47 H new ATOM 0 HG23 THR A 16 8.070 -0.953 10.680 1.00 0.47 H new ATOM 225 N ALA A 17 7.087 -2.997 7.935 1.00 0.28 N ATOM 226 CA ALA A 17 7.626 -3.976 6.995 1.00 0.30 C ATOM 227 C ALA A 17 8.317 -5.129 7.709 1.00 0.35 C ATOM 228 O ALA A 17 8.943 -4.939 8.759 1.00 0.40 O ATOM 229 CB ALA A 17 8.623 -3.294 6.073 1.00 0.37 C ATOM 0 H ALA A 17 7.489 -2.067 7.819 1.00 0.28 H new ATOM 0 HA ALA A 17 6.791 -4.383 6.425 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.027 -4.023 5.370 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.123 -2.497 5.522 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.435 -2.872 6.664 1.00 0.37 H new ATOM 235 N VAL A 18 8.213 -6.303 7.144 1.00 0.38 N ATOM 236 CA VAL A 18 8.838 -7.485 7.710 1.00 0.48 C ATOM 237 C VAL A 18 10.231 -7.680 7.107 1.00 0.56 C ATOM 238 O VAL A 18 10.434 -7.464 5.898 1.00 0.52 O ATOM 239 CB VAL A 18 7.963 -8.768 7.508 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.642 -8.627 8.250 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.701 -9.047 6.025 1.00 0.52 C ATOM 0 H VAL A 18 7.696 -6.474 6.281 1.00 0.38 H new ATOM 0 HA VAL A 18 8.931 -7.329 8.785 1.00 0.48 H new ATOM 0 HB VAL A 18 8.519 -9.613 7.915 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.043 -9.526 8.101 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.835 -8.492 9.314 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.100 -7.762 7.867 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.091 -9.945 5.926 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.176 -8.201 5.583 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.650 -9.195 5.509 1.00 0.52 H new ATOM 251 N GLU A 19 11.180 -8.047 7.946 1.00 0.72 N ATOM 252 CA GLU A 19 12.554 -8.204 7.533 1.00 0.84 C ATOM 253 C GLU A 19 12.819 -9.548 6.894 1.00 0.84 C ATOM 254 O GLU A 19 12.836 -10.591 7.566 1.00 0.96 O ATOM 255 CB GLU A 19 13.530 -7.982 8.685 1.00 1.06 C ATOM 256 CG GLU A 19 13.519 -6.583 9.251 1.00 1.72 C ATOM 257 CD GLU A 19 14.663 -6.356 10.189 1.00 2.02 C ATOM 258 OE1 GLU A 19 14.442 -6.386 11.419 1.00 2.52 O ATOM 259 OE2 GLU A 19 15.800 -6.149 9.734 1.00 2.38 O ATOM 0 H GLU A 19 11.016 -8.244 8.933 1.00 0.72 H new ATOM 0 HA GLU A 19 12.721 -7.432 6.781 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.296 -8.686 9.484 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.538 -8.214 8.341 1.00 1.06 H new ATOM 0 HG2 GLU A 19 13.568 -5.861 8.436 1.00 1.72 H new ATOM 0 HG3 GLU A 19 12.579 -6.410 9.775 1.00 1.72 H new ATOM 266 N MET A 20 13.018 -9.505 5.615 1.00 0.79 N ATOM 267 CA MET A 20 13.383 -10.632 4.811 1.00 0.84 C ATOM 268 C MET A 20 14.032 -10.070 3.566 1.00 0.81 C ATOM 269 O MET A 20 14.178 -8.843 3.486 1.00 0.84 O ATOM 270 CB MET A 20 12.177 -11.558 4.502 1.00 0.88 C ATOM 271 CG MET A 20 11.001 -10.900 3.804 1.00 0.88 C ATOM 272 SD MET A 20 9.642 -12.057 3.521 1.00 0.88 S ATOM 273 CE MET A 20 8.466 -11.011 2.666 1.00 0.58 C ATOM 0 H MET A 20 12.927 -8.644 5.076 1.00 0.79 H new ATOM 0 HA MET A 20 14.079 -11.281 5.343 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.527 -12.384 3.883 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.824 -11.989 5.439 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.645 -10.064 4.406 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.331 -10.489 2.850 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.516 -11.537 2.567 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.316 -10.093 3.234 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.850 -10.766 1.676 1.00 0.58 H new ATOM 283 N HIS A 21 14.447 -10.890 2.631 1.00 0.92 N ATOM 284 CA HIS A 21 15.143 -10.370 1.450 1.00 1.01 C ATOM 285 C HIS A 21 14.276 -9.458 0.611 1.00 0.82 C ATOM 286 O HIS A 21 14.745 -8.440 0.107 1.00 0.95 O ATOM 287 CB HIS A 21 15.791 -11.472 0.609 1.00 1.24 C ATOM 288 CG HIS A 21 16.977 -12.101 1.276 1.00 1.65 C ATOM 289 ND1 HIS A 21 17.000 -13.400 1.703 1.00 2.31 N ATOM 290 CD2 HIS A 21 18.199 -11.595 1.572 1.00 2.19 C ATOM 291 CE1 HIS A 21 18.171 -13.669 2.229 1.00 2.75 C ATOM 292 NE2 HIS A 21 18.913 -12.593 2.162 1.00 2.66 N ATOM 0 H HIS A 21 14.325 -11.902 2.650 1.00 0.92 H new ATOM 0 HA HIS A 21 15.955 -9.756 1.839 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.050 -12.243 0.398 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.100 -11.055 -0.350 1.00 1.24 H new ATOM 0 HD2 HIS A 21 18.542 -10.590 1.377 1.00 2.19 H new ATOM 0 HE1 HIS A 21 18.472 -14.618 2.647 1.00 2.75 H new ATOM 0 HE2 HIS A 21 19.873 -12.515 2.498 1.00 2.66 H new ATOM 301 N HIS A 22 13.028 -9.800 0.466 1.00 0.67 N ATOM 302 CA HIS A 22 12.110 -8.947 -0.250 1.00 0.59 C ATOM 303 C HIS A 22 11.256 -8.236 0.776 1.00 0.49 C ATOM 304 O HIS A 22 10.591 -8.876 1.572 1.00 0.57 O ATOM 305 CB HIS A 22 11.242 -9.747 -1.239 1.00 0.76 C ATOM 306 CG HIS A 22 12.036 -10.586 -2.207 1.00 1.13 C ATOM 307 ND1 HIS A 22 13.031 -10.080 -3.027 1.00 1.52 N ATOM 308 CD2 HIS A 22 12.018 -11.916 -2.439 1.00 2.11 C ATOM 309 CE1 HIS A 22 13.573 -11.062 -3.710 1.00 2.06 C ATOM 310 NE2 HIS A 22 12.982 -12.177 -3.372 1.00 2.46 N ATOM 0 H HIS A 22 12.619 -10.660 0.831 1.00 0.67 H new ATOM 0 HA HIS A 22 12.665 -8.225 -0.850 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.571 -10.396 -0.676 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.617 -9.054 -1.802 1.00 0.76 H new ATOM 0 HD1 HIS A 22 13.301 -9.098 -3.090 1.00 1.52 H new ATOM 0 HD2 HIS A 22 11.364 -12.639 -1.974 1.00 2.11 H new ATOM 0 HE1 HIS A 22 14.372 -10.964 -4.430 1.00 2.06 H new ATOM 319 N TRP A 23 11.267 -6.938 0.759 1.00 0.41 N ATOM 320 CA TRP A 23 10.598 -6.173 1.787 1.00 0.36 C ATOM 321 C TRP A 23 9.123 -6.040 1.508 1.00 0.32 C ATOM 322 O TRP A 23 8.718 -5.627 0.429 1.00 0.44 O ATOM 323 CB TRP A 23 11.250 -4.809 1.961 1.00 0.43 C ATOM 324 CG TRP A 23 12.642 -4.876 2.515 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.807 -5.020 1.816 1.00 0.52 C ATOM 326 CD2 TRP A 23 13.013 -4.793 3.895 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.874 -5.018 2.682 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.413 -4.881 3.960 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.293 -4.647 5.082 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.107 -4.826 5.160 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.982 -4.593 6.272 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.377 -4.680 6.302 1.00 0.86 C ATOM 0 H TRP A 23 11.732 -6.377 0.045 1.00 0.41 H new ATOM 0 HA TRP A 23 10.703 -6.719 2.725 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.276 -4.302 0.996 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.633 -4.202 2.624 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.879 -5.120 0.743 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.854 -5.105 2.413 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.215 -4.578 5.067 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.184 -4.896 5.188 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.436 -4.482 7.197 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.888 -4.630 7.252 1.00 0.86 H new ATOM 343 N CYS A 24 8.334 -6.406 2.476 1.00 0.27 N ATOM 344 CA CYS A 24 6.900 -6.384 2.353 1.00 0.25 C ATOM 345 C CYS A 24 6.303 -5.467 3.405 1.00 0.23 C ATOM 346 O CYS A 24 6.501 -5.688 4.613 1.00 0.25 O ATOM 347 CB CYS A 24 6.341 -7.820 2.504 1.00 0.28 C ATOM 348 SG CYS A 24 4.511 -7.978 2.468 1.00 0.30 S ATOM 0 H CYS A 24 8.668 -6.732 3.383 1.00 0.27 H new ATOM 0 HA CYS A 24 6.628 -6.003 1.368 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.755 -8.436 1.706 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.703 -8.233 3.446 1.00 0.28 H new ATOM 353 N ILE A 25 5.644 -4.418 2.949 1.00 0.20 N ATOM 354 CA ILE A 25 4.907 -3.517 3.813 1.00 0.19 C ATOM 355 C ILE A 25 3.429 -3.908 3.740 1.00 0.18 C ATOM 356 O ILE A 25 2.767 -3.666 2.714 1.00 0.18 O ATOM 357 CB ILE A 25 5.063 -2.024 3.374 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.530 -1.574 3.473 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.161 -1.110 4.218 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.781 -0.148 3.018 1.00 0.30 C ATOM 0 H ILE A 25 5.605 -4.166 1.961 1.00 0.20 H new ATOM 0 HA ILE A 25 5.299 -3.602 4.827 1.00 0.19 H new ATOM 0 HB ILE A 25 4.752 -1.946 2.332 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.859 -1.676 4.507 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.145 -2.247 2.875 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.286 -0.077 3.895 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.120 -1.407 4.089 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.436 -1.197 5.269 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.841 0.086 3.121 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.486 -0.042 1.974 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.197 0.538 3.631 1.00 0.30 H new ATOM 372 N PRO A 26 2.900 -4.562 4.781 1.00 0.20 N ATOM 373 CA PRO A 26 1.509 -4.988 4.805 1.00 0.21 C ATOM 374 C PRO A 26 0.566 -3.819 5.071 1.00 0.21 C ATOM 375 O PRO A 26 0.831 -2.964 5.945 1.00 0.23 O ATOM 376 CB PRO A 26 1.445 -5.995 5.971 1.00 0.25 C ATOM 377 CG PRO A 26 2.851 -6.150 6.464 1.00 0.28 C ATOM 378 CD PRO A 26 3.596 -4.930 6.019 1.00 0.24 C ATOM 0 HA PRO A 26 1.199 -5.412 3.850 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.792 -5.632 6.764 1.00 0.25 H new ATOM 0 HB3 PRO A 26 1.041 -6.951 5.638 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.873 -6.243 7.550 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.307 -7.053 6.057 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.550 -4.134 6.762 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.651 -5.141 5.843 1.00 0.24 H new ATOM 386 N PHE A 27 -0.520 -3.765 4.338 1.00 0.23 N ATOM 387 CA PHE A 27 -1.482 -2.715 4.527 1.00 0.25 C ATOM 388 C PHE A 27 -2.875 -3.278 4.476 1.00 0.25 C ATOM 389 O PHE A 27 -3.101 -4.384 3.969 1.00 0.30 O ATOM 390 CB PHE A 27 -1.319 -1.575 3.491 1.00 0.27 C ATOM 391 CG PHE A 27 -1.646 -1.931 2.063 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.934 -1.751 1.555 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.673 -2.433 1.227 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.226 -2.074 0.253 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.965 -2.756 -0.075 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.242 -2.579 -0.564 1.00 0.37 C ATOM 0 H PHE A 27 -0.756 -4.436 3.607 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.303 -2.280 5.510 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -1.955 -0.743 3.792 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.289 -1.220 3.530 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.709 -1.353 2.193 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.331 -2.574 1.600 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.226 -1.932 -0.129 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.192 -3.150 -0.718 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.469 -2.837 -1.588 1.00 0.37 H new ATOM 406 N SER A 28 -3.789 -2.554 5.023 1.00 0.25 N ATOM 407 CA SER A 28 -5.161 -2.910 4.988 1.00 0.28 C ATOM 408 C SER A 28 -6.012 -1.662 4.806 1.00 0.24 C ATOM 409 O SER A 28 -5.932 -0.708 5.586 1.00 0.27 O ATOM 410 CB SER A 28 -5.542 -3.694 6.249 1.00 0.41 C ATOM 411 OG SER A 28 -4.765 -4.896 6.325 1.00 0.88 O ATOM 0 H SER A 28 -3.598 -1.682 5.516 1.00 0.25 H new ATOM 0 HA SER A 28 -5.348 -3.565 4.137 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.370 -3.082 7.135 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.604 -3.937 6.230 1.00 0.41 H new ATOM 0 HG SER A 28 -5.010 -5.393 7.133 1.00 0.88 H new ATOM 417 N VAL A 29 -6.744 -1.647 3.736 1.00 0.23 N ATOM 418 CA VAL A 29 -7.657 -0.588 3.426 1.00 0.21 C ATOM 419 C VAL A 29 -9.001 -1.225 3.163 1.00 0.21 C ATOM 420 O VAL A 29 -9.093 -2.173 2.391 1.00 0.27 O ATOM 421 CB VAL A 29 -7.168 0.273 2.194 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.797 -0.602 1.017 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.243 1.264 1.758 1.00 0.26 C ATOM 0 H VAL A 29 -6.724 -2.388 3.036 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.722 0.110 4.261 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.283 0.818 2.521 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.466 0.024 0.188 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -5.992 -1.278 1.306 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.666 -1.183 0.708 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.881 1.844 0.909 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.143 0.721 1.469 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.474 1.937 2.584 1.00 0.26 H new ATOM 433 N ASP A 30 -10.006 -0.793 3.838 1.00 0.27 N ATOM 434 CA ASP A 30 -11.302 -1.388 3.630 1.00 0.35 C ATOM 435 C ASP A 30 -12.248 -0.394 3.061 1.00 0.37 C ATOM 436 O ASP A 30 -12.041 0.818 3.193 1.00 0.48 O ATOM 437 CB ASP A 30 -11.879 -2.027 4.899 1.00 0.51 C ATOM 438 CG ASP A 30 -12.319 -1.048 5.956 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.464 -0.590 6.759 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.528 -0.801 6.084 1.00 1.30 O ATOM 0 H ASP A 30 -9.971 -0.044 4.530 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.164 -2.198 2.913 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.731 -2.647 4.621 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.128 -2.690 5.328 1.00 0.51 H new ATOM 445 N GLY A 31 -13.234 -0.905 2.396 1.00 0.37 N ATOM 446 CA GLY A 31 -14.232 -0.111 1.784 1.00 0.42 C ATOM 447 C GLY A 31 -14.848 -0.869 0.650 1.00 0.46 C ATOM 448 O GLY A 31 -14.145 -1.603 -0.059 1.00 0.60 O ATOM 0 H GLY A 31 -13.364 -1.908 2.265 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.996 0.157 2.513 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.798 0.820 1.420 1.00 0.42 H new ATOM 452 N GLN A 32 -16.146 -0.751 0.484 1.00 0.55 N ATOM 453 CA GLN A 32 -16.807 -1.435 -0.612 1.00 0.64 C ATOM 454 C GLN A 32 -16.502 -0.670 -1.907 1.00 0.61 C ATOM 455 O GLN A 32 -16.026 -1.277 -2.859 1.00 0.68 O ATOM 456 CB GLN A 32 -18.335 -1.660 -0.351 1.00 0.76 C ATOM 457 CG GLN A 32 -19.043 -2.672 -1.295 1.00 0.99 C ATOM 458 CD GLN A 32 -19.176 -2.212 -2.744 1.00 1.82 C ATOM 459 OE1 GLN A 32 -19.294 -1.024 -3.019 1.00 2.42 O ATOM 460 NE2 GLN A 32 -19.167 -3.138 -3.665 1.00 2.61 N ATOM 0 H GLN A 32 -16.760 -0.198 1.082 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.413 -2.447 -0.708 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.462 -2.001 0.676 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.843 -0.699 -0.433 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -18.491 -3.612 -1.276 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.038 -2.879 -0.902 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -19.067 -4.118 -3.402 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -19.260 -2.881 -4.648 1.00 2.61 H new ATOM 469 N PRO A 33 -16.782 0.674 -1.990 1.00 0.59 N ATOM 470 CA PRO A 33 -16.317 1.457 -3.117 1.00 0.62 C ATOM 471 C PRO A 33 -14.787 1.509 -3.079 1.00 0.53 C ATOM 472 O PRO A 33 -14.197 1.916 -2.065 1.00 0.44 O ATOM 473 CB PRO A 33 -16.923 2.855 -2.897 1.00 0.67 C ATOM 474 CG PRO A 33 -17.313 2.899 -1.462 1.00 0.78 C ATOM 475 CD PRO A 33 -17.601 1.487 -1.061 1.00 0.63 C ATOM 0 HA PRO A 33 -16.608 1.046 -4.084 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.201 3.637 -3.131 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.786 3.014 -3.543 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.512 3.320 -0.854 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.189 3.531 -1.317 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.326 1.304 -0.022 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.662 1.254 -1.156 1.00 0.63 H new ATOM 483 N ALA A 34 -14.162 1.066 -4.144 1.00 0.62 N ATOM 484 CA ALA A 34 -12.718 0.961 -4.200 1.00 0.60 C ATOM 485 C ALA A 34 -12.053 2.334 -4.218 1.00 0.52 C ATOM 486 O ALA A 34 -12.348 3.161 -5.087 1.00 0.63 O ATOM 487 CB ALA A 34 -12.293 0.145 -5.411 1.00 0.78 C ATOM 0 H ALA A 34 -14.637 0.768 -4.996 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.388 0.449 -3.296 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.206 0.075 -5.439 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -12.719 -0.856 -5.343 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.649 0.630 -6.320 1.00 0.78 H new ATOM 493 N PRO A 35 -11.188 2.624 -3.234 1.00 0.39 N ATOM 494 CA PRO A 35 -10.462 3.876 -3.198 1.00 0.35 C ATOM 495 C PRO A 35 -9.188 3.823 -4.040 1.00 0.41 C ATOM 496 O PRO A 35 -8.628 2.740 -4.289 1.00 0.56 O ATOM 497 CB PRO A 35 -10.099 4.010 -1.724 1.00 0.29 C ATOM 498 CG PRO A 35 -9.892 2.613 -1.262 1.00 0.31 C ATOM 499 CD PRO A 35 -10.869 1.768 -2.054 1.00 0.37 C ATOM 0 HA PRO A 35 -11.045 4.706 -3.598 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.199 4.610 -1.590 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.895 4.500 -1.162 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -8.865 2.291 -1.437 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.076 2.524 -0.191 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.427 0.818 -2.354 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -11.762 1.535 -1.473 1.00 0.37 H new ATOM 507 N SER A 36 -8.750 4.973 -4.471 1.00 0.39 N ATOM 508 CA SER A 36 -7.526 5.100 -5.204 1.00 0.44 C ATOM 509 C SER A 36 -6.362 5.149 -4.218 1.00 0.37 C ATOM 510 O SER A 36 -6.227 6.127 -3.458 1.00 0.41 O ATOM 511 CB SER A 36 -7.563 6.387 -6.019 1.00 0.57 C ATOM 512 OG SER A 36 -8.718 6.438 -6.844 1.00 1.37 O ATOM 0 H SER A 36 -9.239 5.856 -4.321 1.00 0.39 H new ATOM 0 HA SER A 36 -7.401 4.251 -5.875 1.00 0.44 H new ATOM 0 HB2 SER A 36 -7.554 7.246 -5.348 1.00 0.57 H new ATOM 0 HB3 SER A 36 -6.668 6.455 -6.637 1.00 0.57 H new ATOM 0 HG SER A 36 -8.718 7.274 -7.355 1.00 1.37 H new ATOM 518 N LEU A 37 -5.570 4.098 -4.193 1.00 0.33 N ATOM 519 CA LEU A 37 -4.420 4.032 -3.322 1.00 0.30 C ATOM 520 C LEU A 37 -3.230 4.697 -3.968 1.00 0.32 C ATOM 521 O LEU A 37 -2.777 4.290 -5.041 1.00 0.50 O ATOM 522 CB LEU A 37 -4.062 2.595 -2.969 1.00 0.32 C ATOM 523 CG LEU A 37 -5.057 1.812 -2.122 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.540 0.405 -1.915 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.257 2.497 -0.780 1.00 0.27 C ATOM 0 H LEU A 37 -5.706 3.270 -4.773 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.682 4.557 -2.404 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.908 2.048 -3.899 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.107 2.605 -2.443 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.017 1.773 -2.637 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.250 -0.158 -1.309 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.420 -0.084 -2.882 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.577 0.442 -1.405 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -5.970 1.928 -0.184 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.304 2.550 -0.253 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.640 3.505 -0.939 1.00 0.27 H new ATOM 537 N ARG A 38 -2.742 5.707 -3.331 1.00 0.23 N ATOM 538 CA ARG A 38 -1.610 6.433 -3.810 1.00 0.23 C ATOM 539 C ARG A 38 -0.553 6.515 -2.744 1.00 0.22 C ATOM 540 O ARG A 38 -0.821 6.911 -1.613 1.00 0.26 O ATOM 541 CB ARG A 38 -2.034 7.826 -4.321 1.00 0.28 C ATOM 542 CG ARG A 38 -0.898 8.765 -4.771 1.00 0.33 C ATOM 543 CD ARG A 38 0.087 8.084 -5.719 1.00 1.28 C ATOM 544 NE ARG A 38 -0.576 7.309 -6.760 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.024 6.267 -7.402 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.262 5.955 -7.215 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.756 5.545 -8.236 1.00 3.78 N ATOM 0 H ARG A 38 -3.121 6.058 -2.452 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.177 5.900 -4.657 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.717 7.689 -5.160 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.596 8.324 -3.531 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.327 9.637 -5.264 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.361 9.126 -3.894 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.720 8.840 -6.183 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.742 7.428 -5.146 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.526 7.577 -7.019 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.834 6.511 -6.579 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.671 5.161 -7.708 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.736 5.781 -8.389 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.340 4.753 -8.725 1.00 3.78 H new ATOM 561 N TRP A 39 0.627 6.098 -3.101 1.00 0.22 N ATOM 562 CA TRP A 39 1.748 6.144 -2.216 1.00 0.22 C ATOM 563 C TRP A 39 2.491 7.446 -2.404 1.00 0.20 C ATOM 564 O TRP A 39 2.938 7.770 -3.516 1.00 0.26 O ATOM 565 CB TRP A 39 2.704 4.982 -2.478 1.00 0.25 C ATOM 566 CG TRP A 39 2.122 3.624 -2.235 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.566 2.789 -3.159 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.056 2.942 -0.981 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.161 1.627 -2.557 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.448 1.694 -1.218 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.454 3.264 0.319 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.228 0.768 -0.199 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.239 2.346 1.327 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.632 1.113 1.064 1.00 0.26 C ATOM 0 H TRP A 39 0.837 5.714 -4.022 1.00 0.22 H new ATOM 0 HA TRP A 39 1.376 6.067 -1.194 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.045 5.036 -3.512 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.583 5.104 -1.846 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.461 3.011 -4.211 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.717 0.839 -3.029 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.921 4.214 0.531 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.758 -0.184 -0.397 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.544 2.583 2.335 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.478 0.417 1.875 1.00 0.26 H new ATOM 585 N LEU A 40 2.571 8.204 -1.369 1.00 0.25 N ATOM 586 CA LEU A 40 3.352 9.394 -1.376 1.00 0.24 C ATOM 587 C LEU A 40 4.526 9.116 -0.476 1.00 0.27 C ATOM 588 O LEU A 40 4.352 8.648 0.644 1.00 0.34 O ATOM 589 CB LEU A 40 2.536 10.586 -0.875 1.00 0.31 C ATOM 590 CG LEU A 40 3.189 11.960 -0.981 1.00 0.49 C ATOM 591 CD1 LEU A 40 3.394 12.331 -2.431 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.338 12.998 -0.284 1.00 0.95 C ATOM 0 H LEU A 40 2.094 8.017 -0.487 1.00 0.25 H new ATOM 0 HA LEU A 40 3.679 9.655 -2.383 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.598 10.612 -1.429 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.284 10.410 0.171 1.00 0.31 H new ATOM 0 HG LEU A 40 4.163 11.925 -0.492 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.861 13.314 -2.493 1.00 0.66 H new ATOM 0 HD12 LEU A 40 4.039 11.593 -2.908 1.00 0.66 H new ATOM 0 HD13 LEU A 40 2.431 12.354 -2.940 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.815 13.975 -0.367 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.354 13.034 -0.750 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.231 12.734 0.768 1.00 0.95 H new ATOM 604 N PHE A 41 5.692 9.342 -0.962 1.00 0.28 N ATOM 605 CA PHE A 41 6.869 9.006 -0.234 1.00 0.35 C ATOM 606 C PHE A 41 7.684 10.244 0.043 1.00 0.38 C ATOM 607 O PHE A 41 8.269 10.810 -0.872 1.00 0.41 O ATOM 608 CB PHE A 41 7.682 7.982 -1.037 1.00 0.45 C ATOM 609 CG PHE A 41 8.981 7.602 -0.411 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.164 8.114 -0.886 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.012 6.725 0.659 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.359 7.762 -0.312 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.201 6.372 1.235 1.00 0.74 C ATOM 614 CZ PHE A 41 11.386 6.907 0.741 1.00 0.86 C ATOM 0 H PHE A 41 5.862 9.765 -1.875 1.00 0.28 H new ATOM 0 HA PHE A 41 6.594 8.567 0.725 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.080 7.083 -1.172 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.876 8.388 -2.030 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.153 8.800 -1.720 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.089 6.316 1.043 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.282 8.167 -0.700 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.220 5.683 2.067 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.329 6.641 1.196 1.00 0.86 H new ATOM 624 N ASN A 42 7.663 10.696 1.289 1.00 0.46 N ATOM 625 CA ASN A 42 8.465 11.854 1.754 1.00 0.57 C ATOM 626 C ASN A 42 8.106 13.124 0.947 1.00 0.53 C ATOM 627 O ASN A 42 8.919 14.003 0.710 1.00 0.69 O ATOM 628 CB ASN A 42 9.990 11.490 1.697 1.00 0.73 C ATOM 629 CG ASN A 42 10.962 12.548 2.254 1.00 1.12 C ATOM 630 OD1 ASN A 42 11.487 13.389 1.523 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.199 12.524 3.538 1.00 1.72 N ATOM 0 H ASN A 42 7.090 10.277 2.022 1.00 0.46 H new ATOM 0 HA ASN A 42 8.227 12.083 2.793 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.142 10.562 2.248 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.257 11.292 0.659 1.00 0.73 H new ATOM 0 HD21 ASN A 42 11.829 13.210 3.953 1.00 1.72 H new ATOM 0 HD22 ASN A 42 10.754 11.819 4.126 1.00 1.72 H new ATOM 638 N GLY A 43 6.863 13.191 0.518 1.00 0.45 N ATOM 639 CA GLY A 43 6.400 14.323 -0.259 1.00 0.51 C ATOM 640 C GLY A 43 6.620 14.150 -1.756 1.00 0.47 C ATOM 641 O GLY A 43 6.159 14.963 -2.558 1.00 0.61 O ATOM 0 H GLY A 43 6.156 12.477 0.693 1.00 0.45 H new ATOM 0 HA2 GLY A 43 5.338 14.476 -0.069 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.917 15.222 0.077 1.00 0.51 H new ATOM 645 N SER A 44 7.309 13.104 -2.137 1.00 0.38 N ATOM 646 CA SER A 44 7.547 12.827 -3.532 1.00 0.40 C ATOM 647 C SER A 44 6.665 11.690 -3.987 1.00 0.33 C ATOM 648 O SER A 44 6.396 10.750 -3.229 1.00 0.28 O ATOM 649 CB SER A 44 9.053 12.593 -3.820 1.00 0.51 C ATOM 650 OG SER A 44 9.654 11.627 -2.941 1.00 1.37 O ATOM 0 H SER A 44 7.718 12.425 -1.495 1.00 0.38 H new ATOM 0 HA SER A 44 7.275 13.702 -4.122 1.00 0.40 H new ATOM 0 HB2 SER A 44 9.172 12.260 -4.851 1.00 0.51 H new ATOM 0 HB3 SER A 44 9.585 13.540 -3.728 1.00 0.51 H new ATOM 0 HG SER A 44 8.952 11.134 -2.467 1.00 1.37 H new ATOM 656 N VAL A 45 6.163 11.814 -5.181 1.00 0.41 N ATOM 657 CA VAL A 45 5.245 10.858 -5.734 1.00 0.41 C ATOM 658 C VAL A 45 5.939 9.545 -6.027 1.00 0.39 C ATOM 659 O VAL A 45 6.838 9.477 -6.862 1.00 0.45 O ATOM 660 CB VAL A 45 4.548 11.407 -7.003 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.707 10.349 -7.661 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.675 12.580 -6.653 1.00 0.70 C ATOM 0 H VAL A 45 6.381 12.590 -5.806 1.00 0.41 H new ATOM 0 HA VAL A 45 4.474 10.676 -4.986 1.00 0.41 H new ATOM 0 HB VAL A 45 5.327 11.721 -7.697 1.00 0.55 H new ATOM 0 HG11 VAL A 45 3.230 10.764 -8.549 1.00 0.68 H new ATOM 0 HG12 VAL A 45 4.339 9.508 -7.947 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.942 10.007 -6.964 1.00 0.68 H new ATOM 0 HG21 VAL A 45 3.191 12.956 -7.555 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.915 12.267 -5.937 1.00 0.70 H new ATOM 0 HG23 VAL A 45 4.285 13.369 -6.213 1.00 0.70 H new ATOM 672 N LEU A 46 5.537 8.526 -5.324 1.00 0.37 N ATOM 673 CA LEU A 46 6.081 7.227 -5.510 1.00 0.40 C ATOM 674 C LEU A 46 5.255 6.511 -6.549 1.00 0.44 C ATOM 675 O LEU A 46 4.058 6.249 -6.338 1.00 0.51 O ATOM 676 CB LEU A 46 6.061 6.451 -4.193 1.00 0.44 C ATOM 677 CG LEU A 46 6.690 5.058 -4.227 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.179 5.148 -4.518 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.441 4.333 -2.922 1.00 0.61 C ATOM 0 H LEU A 46 4.818 8.581 -4.603 1.00 0.37 H new ATOM 0 HA LEU A 46 7.116 7.302 -5.843 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.578 7.043 -3.437 1.00 0.44 H new ATOM 0 HB3 LEU A 46 5.025 6.353 -3.868 1.00 0.44 H new ATOM 0 HG LEU A 46 6.222 4.489 -5.030 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.607 4.146 -4.538 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.332 5.627 -5.485 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.667 5.736 -3.740 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.895 3.343 -2.963 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.880 4.900 -2.101 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.368 4.233 -2.760 1.00 0.61 H new ATOM 691 N ASN A 47 5.845 6.266 -7.678 1.00 0.54 N ATOM 692 CA ASN A 47 5.170 5.555 -8.724 1.00 0.59 C ATOM 693 C ASN A 47 5.504 4.080 -8.603 1.00 0.53 C ATOM 694 O ASN A 47 6.655 3.724 -8.319 1.00 0.64 O ATOM 695 CB ASN A 47 5.582 6.085 -10.100 1.00 0.79 C ATOM 696 CG ASN A 47 4.771 5.464 -11.228 1.00 1.54 C ATOM 697 OD1 ASN A 47 5.148 4.440 -11.816 1.00 2.47 O ATOM 698 ND2 ASN A 47 3.664 6.071 -11.539 1.00 1.94 N ATOM 0 H ASN A 47 6.799 6.549 -7.901 1.00 0.54 H new ATOM 0 HA ASN A 47 4.094 5.701 -8.624 1.00 0.59 H new ATOM 0 HB2 ASN A 47 5.459 7.168 -10.121 1.00 0.79 H new ATOM 0 HB3 ASN A 47 6.640 5.882 -10.263 1.00 0.79 H new ATOM 0 HD21 ASN A 47 3.075 5.706 -12.288 1.00 1.94 H new ATOM 0 HD22 ASN A 47 3.384 6.912 -11.034 1.00 1.94 H new ATOM 705 N GLU A 48 4.501 3.247 -8.763 1.00 0.49 N ATOM 706 CA GLU A 48 4.639 1.810 -8.677 1.00 0.53 C ATOM 707 C GLU A 48 5.512 1.297 -9.835 1.00 0.53 C ATOM 708 O GLU A 48 5.033 1.145 -10.968 1.00 0.70 O ATOM 709 CB GLU A 48 3.252 1.112 -8.723 1.00 0.69 C ATOM 710 CG GLU A 48 2.175 1.665 -7.771 1.00 0.74 C ATOM 711 CD GLU A 48 1.370 2.825 -8.358 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.949 3.883 -8.666 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.136 2.709 -8.511 1.00 1.74 O ATOM 0 H GLU A 48 3.549 3.554 -8.960 1.00 0.49 H new ATOM 0 HA GLU A 48 5.115 1.572 -7.726 1.00 0.53 H new ATOM 0 HB2 GLU A 48 2.872 1.175 -9.743 1.00 0.69 H new ATOM 0 HB3 GLU A 48 3.394 0.054 -8.500 1.00 0.69 H new ATOM 0 HG2 GLU A 48 1.491 0.859 -7.503 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.653 1.997 -6.849 1.00 0.74 H new ATOM 720 N THR A 49 6.770 1.031 -9.549 1.00 0.53 N ATOM 721 CA THR A 49 7.728 0.601 -10.540 1.00 0.58 C ATOM 722 C THR A 49 7.815 -0.925 -10.607 1.00 0.60 C ATOM 723 O THR A 49 6.948 -1.618 -10.076 1.00 0.65 O ATOM 724 CB THR A 49 9.131 1.180 -10.237 1.00 0.71 C ATOM 725 OG1 THR A 49 9.532 0.838 -8.892 1.00 1.57 O ATOM 726 CG2 THR A 49 9.145 2.684 -10.406 1.00 0.98 C ATOM 0 H THR A 49 7.158 1.109 -8.609 1.00 0.53 H new ATOM 0 HA THR A 49 7.383 0.975 -11.504 1.00 0.58 H new ATOM 0 HB THR A 49 9.835 0.745 -10.946 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.421 1.208 -8.712 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.142 3.065 -10.187 1.00 0.98 H new ATOM 0 HG22 THR A 49 8.877 2.937 -11.432 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.426 3.134 -9.721 1.00 0.98 H new ATOM 734 N SER A 50 8.821 -1.447 -11.271 1.00 0.68 N ATOM 735 CA SER A 50 9.028 -2.877 -11.312 1.00 0.78 C ATOM 736 C SER A 50 9.649 -3.373 -9.989 1.00 0.72 C ATOM 737 O SER A 50 9.559 -4.552 -9.645 1.00 0.86 O ATOM 738 CB SER A 50 9.942 -3.204 -12.483 1.00 0.96 C ATOM 739 OG SER A 50 9.429 -2.618 -13.669 1.00 1.52 O ATOM 0 H SER A 50 9.509 -0.902 -11.791 1.00 0.68 H new ATOM 0 HA SER A 50 8.070 -3.381 -11.441 1.00 0.78 H new ATOM 0 HB2 SER A 50 10.947 -2.831 -12.287 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.021 -4.284 -12.604 1.00 0.96 H new ATOM 0 HG SER A 50 10.021 -2.829 -14.421 1.00 1.52 H new ATOM 745 N PHE A 51 10.269 -2.465 -9.258 1.00 0.64 N ATOM 746 CA PHE A 51 10.929 -2.821 -8.013 1.00 0.68 C ATOM 747 C PHE A 51 10.017 -2.567 -6.835 1.00 0.55 C ATOM 748 O PHE A 51 10.008 -3.324 -5.865 1.00 0.61 O ATOM 749 CB PHE A 51 12.241 -2.045 -7.853 1.00 0.87 C ATOM 750 CG PHE A 51 13.261 -2.353 -8.916 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.087 -3.462 -8.813 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.393 -1.526 -10.019 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.024 -3.740 -9.793 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.326 -1.797 -11.000 1.00 1.37 C ATOM 755 CZ PHE A 51 15.151 -2.939 -10.871 1.00 1.52 C ATOM 0 H PHE A 51 10.330 -1.477 -9.503 1.00 0.64 H new ATOM 0 HA PHE A 51 11.162 -3.885 -8.045 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.025 -0.977 -7.868 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.669 -2.270 -6.876 1.00 0.87 H new ATOM 0 HD1 PHE A 51 13.998 -4.116 -7.958 1.00 1.39 H new ATOM 0 HD2 PHE A 51 12.758 -0.658 -10.113 1.00 1.16 H new ATOM 0 HE1 PHE A 51 15.660 -4.607 -9.694 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.425 -1.145 -11.855 1.00 1.37 H new ATOM 0 HZ PHE A 51 15.880 -3.169 -11.633 1.00 1.52 H new ATOM 765 N ILE A 52 9.245 -1.509 -6.922 1.00 0.46 N ATOM 766 CA ILE A 52 8.329 -1.155 -5.869 1.00 0.39 C ATOM 767 C ILE A 52 6.926 -1.348 -6.411 1.00 0.37 C ATOM 768 O ILE A 52 6.451 -0.536 -7.198 1.00 0.43 O ATOM 769 CB ILE A 52 8.510 0.335 -5.484 1.00 0.41 C ATOM 770 CG1 ILE A 52 9.990 0.647 -5.249 1.00 0.46 C ATOM 771 CG2 ILE A 52 7.699 0.668 -4.234 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.264 2.095 -4.956 1.00 0.50 C ATOM 0 H ILE A 52 9.236 -0.874 -7.720 1.00 0.46 H new ATOM 0 HA ILE A 52 8.509 -1.772 -4.988 1.00 0.39 H new ATOM 0 HB ILE A 52 8.147 0.949 -6.308 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.352 0.043 -4.417 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.559 0.350 -6.130 1.00 0.46 H new ATOM 0 HG21 ILE A 52 7.839 1.718 -3.979 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.643 0.478 -4.424 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.036 0.045 -3.405 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.333 2.239 -4.801 1.00 0.50 H new ATOM 0 HD12 ILE A 52 9.934 2.705 -5.797 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.724 2.393 -4.057 1.00 0.50 H new ATOM 784 N PHE A 53 6.270 -2.385 -5.991 1.00 0.33 N ATOM 785 CA PHE A 53 4.969 -2.716 -6.521 1.00 0.37 C ATOM 786 C PHE A 53 3.992 -3.071 -5.417 1.00 0.31 C ATOM 787 O PHE A 53 4.388 -3.478 -4.323 1.00 0.29 O ATOM 788 CB PHE A 53 5.087 -3.849 -7.565 1.00 0.48 C ATOM 789 CG PHE A 53 5.908 -5.037 -7.113 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.261 -5.105 -7.407 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.335 -6.069 -6.398 1.00 1.15 C ATOM 792 CE1 PHE A 53 8.022 -6.178 -6.996 1.00 2.87 C ATOM 793 CE2 PHE A 53 6.091 -7.145 -5.983 1.00 2.02 C ATOM 794 CZ PHE A 53 7.437 -7.197 -6.282 1.00 2.89 C ATOM 0 H PHE A 53 6.612 -3.027 -5.276 1.00 0.33 H new ATOM 0 HA PHE A 53 4.570 -1.834 -7.022 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.086 -4.193 -7.824 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.529 -3.443 -8.475 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.725 -4.306 -7.966 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.282 -6.033 -6.161 1.00 1.15 H new ATOM 0 HE1 PHE A 53 9.075 -6.218 -7.234 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.630 -7.946 -5.424 1.00 2.02 H new ATOM 0 HZ PHE A 53 8.031 -8.038 -5.955 1.00 2.89 H new ATOM 804 N THR A 54 2.732 -2.902 -5.693 1.00 0.35 N ATOM 805 CA THR A 54 1.712 -3.172 -4.728 1.00 0.35 C ATOM 806 C THR A 54 0.970 -4.454 -5.111 1.00 0.35 C ATOM 807 O THR A 54 0.316 -4.516 -6.153 1.00 0.40 O ATOM 808 CB THR A 54 0.723 -1.994 -4.647 1.00 0.39 C ATOM 809 OG1 THR A 54 1.464 -0.768 -4.528 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.155 -2.132 -3.425 1.00 0.44 C ATOM 0 H THR A 54 2.385 -2.573 -6.594 1.00 0.35 H new ATOM 0 HA THR A 54 2.176 -3.302 -3.750 1.00 0.35 H new ATOM 0 HB THR A 54 0.106 -1.991 -5.545 1.00 0.39 H new ATOM 0 HG1 THR A 54 0.957 -0.038 -4.941 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.850 -1.293 -3.379 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.716 -3.065 -3.483 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.466 -2.138 -2.529 1.00 0.44 H new ATOM 818 N GLU A 55 1.098 -5.465 -4.293 1.00 0.36 N ATOM 819 CA GLU A 55 0.448 -6.732 -4.525 1.00 0.42 C ATOM 820 C GLU A 55 -0.932 -6.706 -3.913 1.00 0.44 C ATOM 821 O GLU A 55 -1.095 -6.271 -2.766 1.00 0.57 O ATOM 822 CB GLU A 55 1.271 -7.865 -3.917 1.00 0.60 C ATOM 823 CG GLU A 55 2.631 -8.049 -4.563 1.00 1.21 C ATOM 824 CD GLU A 55 2.531 -8.500 -6.003 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.456 -7.632 -6.900 1.00 1.67 O ATOM 826 OE2 GLU A 55 2.533 -9.705 -6.266 1.00 2.04 O ATOM 0 H GLU A 55 1.659 -5.435 -3.442 1.00 0.36 H new ATOM 0 HA GLU A 55 0.364 -6.903 -5.598 1.00 0.42 H new ATOM 0 HB2 GLU A 55 1.408 -7.672 -2.853 1.00 0.60 H new ATOM 0 HB3 GLU A 55 0.710 -8.795 -4.002 1.00 0.60 H new ATOM 0 HG2 GLU A 55 3.182 -7.109 -4.517 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.204 -8.782 -3.995 1.00 1.21 H new ATOM 833 N PHE A 56 -1.913 -7.132 -4.662 1.00 0.52 N ATOM 834 CA PHE A 56 -3.277 -7.165 -4.194 1.00 0.62 C ATOM 835 C PHE A 56 -3.812 -8.572 -4.280 1.00 0.73 C ATOM 836 O PHE A 56 -3.392 -9.354 -5.144 1.00 0.87 O ATOM 837 CB PHE A 56 -4.181 -6.256 -5.044 1.00 0.68 C ATOM 838 CG PHE A 56 -3.841 -4.793 -5.012 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.148 -4.030 -3.905 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.244 -4.177 -6.105 1.00 0.61 C ATOM 841 CE1 PHE A 56 -3.868 -2.679 -3.877 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.957 -2.824 -6.083 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.273 -2.073 -4.964 1.00 0.61 C ATOM 0 H PHE A 56 -1.791 -7.468 -5.617 1.00 0.52 H new ATOM 0 HA PHE A 56 -3.280 -6.812 -3.163 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -4.141 -6.598 -6.078 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -5.210 -6.379 -4.707 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.614 -4.496 -3.049 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -3.002 -4.761 -6.981 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.115 -2.095 -3.003 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.488 -2.355 -6.936 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.054 -1.016 -4.942 1.00 0.61 H new ATOM 853 N LEU A 57 -4.710 -8.906 -3.393 1.00 0.77 N ATOM 854 CA LEU A 57 -5.388 -10.171 -3.460 1.00 0.93 C ATOM 855 C LEU A 57 -6.877 -9.896 -3.521 1.00 1.04 C ATOM 856 O LEU A 57 -7.318 -8.769 -3.224 1.00 1.04 O ATOM 857 CB LEU A 57 -4.983 -11.110 -2.275 1.00 1.01 C ATOM 858 CG LEU A 57 -5.356 -10.716 -0.835 1.00 0.99 C ATOM 859 CD1 LEU A 57 -6.813 -11.051 -0.525 1.00 1.25 C ATOM 860 CD2 LEU A 57 -4.429 -11.403 0.157 1.00 1.16 C ATOM 0 H LEU A 57 -4.990 -8.315 -2.610 1.00 0.77 H new ATOM 0 HA LEU A 57 -5.092 -10.714 -4.357 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -5.421 -12.089 -2.470 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -3.900 -11.232 -2.310 1.00 1.01 H new ATOM 0 HG LEU A 57 -5.236 -9.637 -0.741 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -7.043 -10.760 0.500 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -7.465 -10.510 -1.211 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -6.973 -12.123 -0.642 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -4.704 -11.115 1.172 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -4.518 -12.484 0.050 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -3.400 -11.103 -0.039 1.00 1.16 H new ATOM 872 N GLU A 58 -7.629 -10.882 -3.917 1.00 1.18 N ATOM 873 CA GLU A 58 -9.062 -10.756 -4.068 1.00 1.31 C ATOM 874 C GLU A 58 -9.770 -10.910 -2.734 1.00 1.24 C ATOM 875 O GLU A 58 -9.700 -11.977 -2.123 1.00 1.32 O ATOM 876 CB GLU A 58 -9.555 -11.801 -5.049 1.00 1.61 C ATOM 877 CG GLU A 58 -9.122 -11.532 -6.477 1.00 2.01 C ATOM 878 CD GLU A 58 -9.798 -10.303 -7.051 1.00 2.65 C ATOM 879 OE1 GLU A 58 -9.317 -9.165 -6.830 1.00 3.36 O ATOM 880 OE2 GLU A 58 -10.856 -10.454 -7.725 1.00 2.90 O ATOM 0 H GLU A 58 -7.268 -11.807 -4.148 1.00 1.18 H new ATOM 0 HA GLU A 58 -9.288 -9.760 -4.449 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -9.186 -12.780 -4.743 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -10.643 -11.843 -5.008 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -8.041 -11.400 -6.510 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -9.356 -12.398 -7.096 1.00 2.01 H new ATOM 887 N PRO A 59 -10.458 -9.855 -2.262 1.00 1.21 N ATOM 888 CA PRO A 59 -11.179 -9.890 -0.997 1.00 1.25 C ATOM 889 C PRO A 59 -12.382 -10.802 -1.102 1.00 1.26 C ATOM 890 O PRO A 59 -13.061 -10.840 -2.141 1.00 1.35 O ATOM 891 CB PRO A 59 -11.651 -8.436 -0.796 1.00 1.37 C ATOM 892 CG PRO A 59 -10.898 -7.635 -1.797 1.00 1.39 C ATOM 893 CD PRO A 59 -10.629 -8.563 -2.933 1.00 1.30 C ATOM 0 HA PRO A 59 -10.564 -10.260 -0.177 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -12.726 -8.347 -0.950 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -11.445 -8.092 0.218 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -11.478 -6.772 -2.125 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.969 -7.253 -1.374 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -11.455 -8.582 -3.644 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -9.737 -8.274 -3.489 1.00 1.30 H new ATOM 901 N ALA A 60 -12.635 -11.529 -0.053 1.00 1.29 N ATOM 902 CA ALA A 60 -13.738 -12.439 0.010 1.00 1.40 C ATOM 903 C ALA A 60 -15.023 -11.646 0.011 1.00 1.40 C ATOM 904 O ALA A 60 -15.085 -10.558 0.569 1.00 1.33 O ATOM 905 CB ALA A 60 -13.630 -13.274 1.270 1.00 1.53 C ATOM 0 H ALA A 60 -12.070 -11.505 0.796 1.00 1.29 H new ATOM 0 HA ALA A 60 -13.728 -13.106 -0.852 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -14.469 -13.968 1.320 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -12.696 -13.835 1.256 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -13.647 -12.620 2.142 1.00 1.53 H new ATOM 911 N ALA A 61 -16.038 -12.191 -0.617 1.00 1.55 N ATOM 912 CA ALA A 61 -17.314 -11.506 -0.804 1.00 1.65 C ATOM 913 C ALA A 61 -18.063 -11.259 0.505 1.00 1.59 C ATOM 914 O ALA A 61 -19.054 -10.541 0.528 1.00 1.70 O ATOM 915 CB ALA A 61 -18.184 -12.263 -1.783 1.00 1.91 C ATOM 0 H ALA A 61 -16.011 -13.128 -1.019 1.00 1.55 H new ATOM 0 HA ALA A 61 -17.081 -10.523 -1.214 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -19.131 -11.738 -1.910 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -17.675 -12.331 -2.745 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -18.374 -13.266 -1.401 1.00 1.91 H new ATOM 921 N ASN A 62 -17.592 -11.857 1.574 1.00 1.52 N ATOM 922 CA ASN A 62 -18.188 -11.673 2.891 1.00 1.56 C ATOM 923 C ASN A 62 -17.501 -10.538 3.645 1.00 1.33 C ATOM 924 O ASN A 62 -17.852 -10.239 4.786 1.00 1.40 O ATOM 925 CB ASN A 62 -18.118 -12.972 3.715 1.00 1.82 C ATOM 926 CG ASN A 62 -16.697 -13.491 3.895 1.00 2.72 C ATOM 927 OD1 ASN A 62 -16.206 -14.241 3.060 1.00 3.49 O ATOM 928 ND2 ASN A 62 -16.040 -13.126 4.967 1.00 3.19 N ATOM 0 H ASN A 62 -16.788 -12.484 1.563 1.00 1.52 H new ATOM 0 HA ASN A 62 -19.236 -11.411 2.746 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -18.561 -12.797 4.695 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -18.719 -13.738 3.225 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -15.092 -13.467 5.125 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -16.476 -12.500 5.644 1.00 3.19 H new ATOM 935 N GLU A 63 -16.535 -9.902 3.015 1.00 1.20 N ATOM 936 CA GLU A 63 -15.811 -8.826 3.644 1.00 1.07 C ATOM 937 C GLU A 63 -15.536 -7.734 2.617 1.00 0.90 C ATOM 938 O GLU A 63 -15.788 -7.926 1.429 1.00 0.97 O ATOM 939 CB GLU A 63 -14.512 -9.357 4.268 1.00 1.16 C ATOM 940 CG GLU A 63 -13.452 -9.836 3.298 1.00 1.31 C ATOM 941 CD GLU A 63 -12.256 -10.379 4.027 1.00 1.42 C ATOM 942 OE1 GLU A 63 -11.367 -9.603 4.398 1.00 1.48 O ATOM 943 OE2 GLU A 63 -12.184 -11.600 4.267 1.00 1.89 O ATOM 0 H GLU A 63 -16.235 -10.116 2.064 1.00 1.20 H new ATOM 0 HA GLU A 63 -16.409 -8.397 4.448 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -14.081 -8.569 4.885 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -14.764 -10.182 4.935 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -13.869 -10.608 2.651 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -13.146 -9.012 2.654 1.00 1.31 H new ATOM 950 N THR A 64 -15.052 -6.601 3.059 1.00 0.80 N ATOM 951 CA THR A 64 -14.768 -5.497 2.164 1.00 0.74 C ATOM 952 C THR A 64 -13.386 -4.916 2.431 1.00 0.59 C ATOM 953 O THR A 64 -13.122 -3.745 2.168 1.00 0.61 O ATOM 954 CB THR A 64 -15.853 -4.387 2.257 1.00 0.90 C ATOM 955 OG1 THR A 64 -16.125 -4.063 3.630 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.145 -4.810 1.566 1.00 1.15 C ATOM 0 H THR A 64 -14.844 -6.414 4.040 1.00 0.80 H new ATOM 0 HA THR A 64 -14.784 -5.894 1.149 1.00 0.74 H new ATOM 0 HB THR A 64 -15.463 -3.506 1.747 1.00 0.90 H new ATOM 0 HG1 THR A 64 -16.926 -3.501 3.681 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.881 -4.011 1.650 1.00 1.15 H new ATOM 0 HG22 THR A 64 -16.946 -5.010 0.513 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.533 -5.712 2.040 1.00 1.15 H new ATOM 964 N VAL A 65 -12.503 -5.742 2.950 1.00 0.53 N ATOM 965 CA VAL A 65 -11.166 -5.299 3.249 1.00 0.45 C ATOM 966 C VAL A 65 -10.244 -5.692 2.112 1.00 0.42 C ATOM 967 O VAL A 65 -10.206 -6.852 1.712 1.00 0.49 O ATOM 968 CB VAL A 65 -10.614 -5.902 4.566 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.265 -5.295 4.909 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.591 -5.726 5.711 1.00 0.61 C ATOM 0 H VAL A 65 -12.690 -6.720 3.172 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.207 -4.217 3.371 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.481 -6.973 4.410 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.895 -5.732 5.837 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.559 -5.500 4.104 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.372 -4.217 5.032 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -11.171 -6.161 6.618 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.777 -4.664 5.870 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.529 -6.227 5.470 1.00 0.61 H new ATOM 980 N ARG A 66 -9.513 -4.747 1.604 1.00 0.37 N ATOM 981 CA ARG A 66 -8.567 -5.003 0.557 1.00 0.36 C ATOM 982 C ARG A 66 -7.259 -5.375 1.213 1.00 0.34 C ATOM 983 O ARG A 66 -6.660 -4.566 1.935 1.00 0.41 O ATOM 984 CB ARG A 66 -8.371 -3.769 -0.322 1.00 0.42 C ATOM 985 CG ARG A 66 -7.404 -3.981 -1.476 1.00 1.13 C ATOM 986 CD ARG A 66 -7.037 -2.670 -2.154 1.00 1.10 C ATOM 987 NE ARG A 66 -8.181 -1.973 -2.742 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.093 -0.979 -3.639 1.00 1.15 C ATOM 989 NH1 ARG A 66 -6.911 -0.607 -4.127 1.00 1.61 N ATOM 990 NH2 ARG A 66 -9.185 -0.383 -4.062 1.00 1.84 N ATOM 0 H ARG A 66 -9.555 -3.773 1.904 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.931 -5.807 -0.083 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -9.338 -3.463 -0.722 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.008 -2.948 0.297 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -6.500 -4.465 -1.108 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -7.852 -4.655 -2.206 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -6.559 -2.015 -1.425 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -6.303 -2.868 -2.935 1.00 1.10 H new ATOM 0 HE ARG A 66 -9.114 -2.264 -2.449 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -6.061 -1.079 -3.819 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -6.856 0.150 -4.809 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -10.096 -0.676 -3.709 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -9.122 0.373 -4.744 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.843 -6.585 1.005 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.628 -7.081 1.608 1.00 0.39 C ATOM 1006 C HIS A 67 -4.526 -7.012 0.584 1.00 0.35 C ATOM 1007 O HIS A 67 -4.757 -7.344 -0.600 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.800 -8.534 2.083 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.919 -8.751 3.056 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.763 -8.697 4.416 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -8.226 -9.022 2.844 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.921 -8.927 4.996 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.817 -9.123 4.063 1.00 0.90 N ATOM 0 H HIS A 67 -7.328 -7.261 0.416 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.384 -6.469 2.477 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.967 -9.168 1.212 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.868 -8.863 2.543 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.710 -9.137 1.885 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -8.101 -8.950 6.061 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.804 -9.321 4.225 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.364 -6.567 0.996 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.271 -6.476 0.082 1.00 0.31 C ATOM 1024 C GLY A 68 -0.993 -6.082 0.763 1.00 0.24 C ATOM 1025 O GLY A 68 -0.966 -5.869 1.985 1.00 0.26 O ATOM 0 H GLY A 68 -3.160 -6.267 1.949 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.135 -7.436 -0.415 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.507 -5.747 -0.693 1.00 0.31 H new ATOM 1029 N CYS A 69 0.042 -5.945 -0.018 1.00 0.21 N ATOM 1030 CA CYS A 69 1.350 -5.597 0.477 1.00 0.20 C ATOM 1031 C CYS A 69 2.120 -4.795 -0.555 1.00 0.19 C ATOM 1032 O CYS A 69 2.074 -5.101 -1.751 1.00 0.22 O ATOM 1033 CB CYS A 69 2.145 -6.871 0.837 1.00 0.25 C ATOM 1034 SG CYS A 69 3.933 -6.585 1.118 1.00 0.36 S ATOM 0 H CYS A 69 0.003 -6.073 -1.029 1.00 0.21 H new ATOM 0 HA CYS A 69 1.220 -4.988 1.372 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.714 -7.314 1.735 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.026 -7.599 0.034 1.00 0.25 H new ATOM 1039 N LEU A 70 2.783 -3.752 -0.109 1.00 0.20 N ATOM 1040 CA LEU A 70 3.693 -3.032 -0.958 1.00 0.22 C ATOM 1041 C LEU A 70 4.996 -3.773 -0.850 1.00 0.23 C ATOM 1042 O LEU A 70 5.683 -3.695 0.180 1.00 0.24 O ATOM 1043 CB LEU A 70 3.880 -1.584 -0.492 1.00 0.24 C ATOM 1044 CG LEU A 70 4.796 -0.713 -1.367 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.184 -0.479 -2.725 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.117 0.606 -0.695 1.00 0.28 C ATOM 0 H LEU A 70 2.706 -3.386 0.840 1.00 0.20 H new ATOM 0 HA LEU A 70 3.317 -2.980 -1.980 1.00 0.22 H new ATOM 0 HB2 LEU A 70 2.900 -1.109 -0.440 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.282 -1.597 0.521 1.00 0.24 H new ATOM 0 HG LEU A 70 5.731 -1.257 -1.500 1.00 0.25 H new ATOM 0 HD11 LEU A 70 4.852 0.140 -3.324 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.030 -1.436 -3.225 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.226 0.028 -2.610 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.766 1.196 -1.342 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.193 1.155 -0.511 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.623 0.418 0.252 1.00 0.28 H new ATOM 1058 N ARG A 71 5.316 -4.527 -1.847 1.00 0.30 N ATOM 1059 CA ARG A 71 6.459 -5.359 -1.766 1.00 0.35 C ATOM 1060 C ARG A 71 7.521 -4.877 -2.700 1.00 0.36 C ATOM 1061 O ARG A 71 7.276 -4.637 -3.881 1.00 0.42 O ATOM 1062 CB ARG A 71 6.107 -6.826 -2.018 1.00 0.51 C ATOM 1063 CG ARG A 71 7.250 -7.793 -1.715 1.00 1.20 C ATOM 1064 CD ARG A 71 6.818 -9.235 -1.886 1.00 1.20 C ATOM 1065 NE ARG A 71 6.502 -9.554 -3.280 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.420 -10.223 -3.693 1.00 1.80 C ATOM 1067 NH1 ARG A 71 4.548 -10.696 -2.811 1.00 1.98 N ATOM 1068 NH2 ARG A 71 5.233 -10.442 -4.988 1.00 2.68 N ATOM 0 H ARG A 71 4.800 -4.582 -2.725 1.00 0.30 H new ATOM 0 HA ARG A 71 6.850 -5.300 -0.750 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.245 -7.094 -1.407 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.809 -6.945 -3.060 1.00 0.51 H new ATOM 0 HG2 ARG A 71 8.090 -7.583 -2.377 1.00 1.20 H new ATOM 0 HG3 ARG A 71 7.600 -7.636 -0.695 1.00 1.20 H new ATOM 0 HD2 ARG A 71 7.611 -9.895 -1.535 1.00 1.20 H new ATOM 0 HD3 ARG A 71 5.944 -9.427 -1.263 1.00 1.20 H new ATOM 0 HE ARG A 71 7.160 -9.241 -3.993 1.00 1.43 H new ATOM 0 HH11 ARG A 71 4.702 -10.550 -1.813 1.00 1.98 H new ATOM 0 HH12 ARG A 71 3.724 -11.206 -3.131 1.00 1.98 H new ATOM 0 HH21 ARG A 71 5.914 -10.100 -5.667 1.00 2.68 H new ATOM 0 HH22 ARG A 71 4.409 -10.952 -5.305 1.00 2.68 H new ATOM 1082 N LEU A 72 8.667 -4.695 -2.156 1.00 0.37 N ATOM 1083 CA LEU A 72 9.804 -4.275 -2.888 1.00 0.42 C ATOM 1084 C LEU A 72 10.731 -5.453 -2.970 1.00 0.44 C ATOM 1085 O LEU A 72 11.288 -5.904 -1.948 1.00 0.49 O ATOM 1086 CB LEU A 72 10.511 -3.078 -2.202 1.00 0.50 C ATOM 1087 CG LEU A 72 9.692 -1.773 -2.039 1.00 0.70 C ATOM 1088 CD1 LEU A 72 8.645 -1.865 -0.931 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.600 -0.594 -1.803 1.00 0.61 C ATOM 0 H LEU A 72 8.845 -4.838 -1.162 1.00 0.37 H new ATOM 0 HA LEU A 72 9.507 -3.936 -3.880 1.00 0.42 H new ATOM 0 HB2 LEU A 72 10.836 -3.399 -1.212 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.410 -2.844 -2.772 1.00 0.50 H new ATOM 0 HG LEU A 72 9.154 -1.628 -2.976 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.103 -0.922 -0.864 1.00 1.23 H new ATOM 0 HD12 LEU A 72 7.946 -2.670 -1.157 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.138 -2.069 0.019 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.001 0.310 -1.692 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.181 -0.758 -0.896 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.276 -0.480 -2.651 1.00 0.61 H new ATOM 1101 N ASN A 73 10.852 -6.003 -4.167 1.00 0.56 N ATOM 1102 CA ASN A 73 11.702 -7.162 -4.382 1.00 0.72 C ATOM 1103 C ASN A 73 13.147 -6.774 -4.141 1.00 0.73 C ATOM 1104 O ASN A 73 13.896 -7.504 -3.489 1.00 0.87 O ATOM 1105 CB ASN A 73 11.509 -7.816 -5.782 1.00 0.90 C ATOM 1106 CG ASN A 73 11.967 -6.967 -6.966 1.00 1.41 C ATOM 1107 OD1 ASN A 73 11.911 -5.742 -6.938 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.414 -7.612 -8.000 1.00 1.84 N ATOM 0 H ASN A 73 10.374 -5.667 -5.003 1.00 0.56 H new ATOM 0 HA ASN A 73 11.406 -7.928 -3.666 1.00 0.72 H new ATOM 0 HB2 ASN A 73 12.052 -8.761 -5.802 1.00 0.90 H new ATOM 0 HB3 ASN A 73 10.453 -8.052 -5.912 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.732 -7.099 -8.822 1.00 1.84 H new ATOM 0 HD22 ASN A 73 12.447 -8.631 -7.990 1.00 1.84 H new ATOM 1115 N GLN A 74 13.517 -5.632 -4.648 1.00 0.66 N ATOM 1116 CA GLN A 74 14.785 -5.035 -4.403 1.00 0.72 C ATOM 1117 C GLN A 74 14.548 -3.568 -4.122 1.00 0.66 C ATOM 1118 O GLN A 74 14.106 -2.836 -5.006 1.00 0.69 O ATOM 1119 CB GLN A 74 15.728 -5.198 -5.590 1.00 0.86 C ATOM 1120 CG GLN A 74 17.089 -4.552 -5.369 1.00 1.58 C ATOM 1121 CD GLN A 74 18.000 -4.622 -6.576 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.859 -5.642 -7.377 1.00 2.82 O flip ATOM 1123 NE2 GLN A 74 18.825 -3.739 -6.785 1.00 2.58 N flip ATOM 0 H GLN A 74 12.920 -5.079 -5.262 1.00 0.66 H new ATOM 0 HA GLN A 74 15.261 -5.527 -3.555 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.866 -6.260 -5.793 1.00 0.86 H new ATOM 0 HB3 GLN A 74 15.266 -4.762 -6.475 1.00 0.86 H new ATOM 0 HG2 GLN A 74 16.945 -3.507 -5.094 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.580 -5.039 -4.526 1.00 1.58 H new ATOM 0 HE21 GLN A 74 18.908 -2.955 -6.138 1.00 2.58 H new ATOM 0 HE22 GLN A 74 19.428 -3.788 -7.606 1.00 2.58 H new ATOM 1132 N PRO A 75 14.780 -3.124 -2.897 1.00 0.75 N ATOM 1133 CA PRO A 75 14.577 -1.738 -2.543 1.00 0.84 C ATOM 1134 C PRO A 75 15.693 -0.849 -3.085 1.00 0.81 C ATOM 1135 O PRO A 75 16.875 -1.218 -3.060 1.00 0.83 O ATOM 1136 CB PRO A 75 14.600 -1.754 -1.014 1.00 1.06 C ATOM 1137 CG PRO A 75 15.456 -2.920 -0.658 1.00 1.25 C ATOM 1138 CD PRO A 75 15.263 -3.932 -1.754 1.00 0.93 C ATOM 0 HA PRO A 75 13.654 -1.335 -2.959 1.00 0.84 H new ATOM 0 HB2 PRO A 75 15.010 -0.826 -0.615 1.00 1.06 H new ATOM 0 HB3 PRO A 75 13.596 -1.861 -0.604 1.00 1.06 H new ATOM 0 HG2 PRO A 75 16.503 -2.625 -0.580 1.00 1.25 H new ATOM 0 HG3 PRO A 75 15.168 -3.333 0.309 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.194 -4.446 -1.992 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.540 -4.697 -1.470 1.00 0.93 H new ATOM 1146 N THR A 76 15.321 0.280 -3.605 1.00 0.86 N ATOM 1147 CA THR A 76 16.275 1.257 -4.052 1.00 0.90 C ATOM 1148 C THR A 76 16.685 2.060 -2.820 1.00 0.84 C ATOM 1149 O THR A 76 15.905 2.213 -1.891 1.00 0.79 O ATOM 1150 CB THR A 76 15.637 2.176 -5.139 1.00 1.07 C ATOM 1151 OG1 THR A 76 14.418 2.777 -4.661 1.00 1.17 O ATOM 1152 CG2 THR A 76 15.344 1.383 -6.409 1.00 1.22 C ATOM 0 H THR A 76 14.347 0.554 -3.733 1.00 0.86 H new ATOM 0 HA THR A 76 17.146 0.786 -4.508 1.00 0.90 H new ATOM 0 HB THR A 76 16.355 2.965 -5.363 1.00 1.07 H new ATOM 0 HG1 THR A 76 13.875 2.099 -4.207 1.00 1.17 H new ATOM 0 HG21 THR A 76 14.899 2.042 -7.155 1.00 1.22 H new ATOM 0 HG22 THR A 76 16.272 0.966 -6.800 1.00 1.22 H new ATOM 0 HG23 THR A 76 14.651 0.573 -6.181 1.00 1.22 H new ATOM 1160 N HIS A 77 17.939 2.537 -2.804 1.00 0.92 N ATOM 1161 CA HIS A 77 18.526 3.197 -1.611 1.00 0.94 C ATOM 1162 C HIS A 77 17.750 4.411 -1.148 1.00 0.81 C ATOM 1163 O HIS A 77 17.857 4.801 -0.011 1.00 0.85 O ATOM 1164 CB HIS A 77 20.043 3.529 -1.769 1.00 1.20 C ATOM 1165 CG HIS A 77 20.422 4.600 -2.780 1.00 1.36 C ATOM 1166 ND1 HIS A 77 20.526 4.367 -4.126 1.00 1.98 N ATOM 1167 CD2 HIS A 77 20.743 5.911 -2.613 1.00 1.62 C ATOM 1168 CE1 HIS A 77 20.882 5.477 -4.744 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.016 6.424 -3.848 1.00 1.72 N ATOM 0 H HIS A 77 18.573 2.481 -3.601 1.00 0.92 H new ATOM 0 HA HIS A 77 18.442 2.448 -0.824 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.424 3.835 -0.795 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.563 2.610 -2.040 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.776 6.447 -1.676 1.00 1.62 H new ATOM 0 HE1 HIS A 77 21.037 5.587 -5.807 1.00 2.03 H new ATOM 0 HE2 HIS A 77 21.282 7.389 -4.042 1.00 1.72 H new ATOM 1178 N VAL A 78 16.948 4.976 -2.035 1.00 0.83 N ATOM 1179 CA VAL A 78 16.135 6.141 -1.707 1.00 0.92 C ATOM 1180 C VAL A 78 14.910 5.752 -0.873 1.00 0.90 C ATOM 1181 O VAL A 78 14.256 6.606 -0.319 1.00 1.08 O ATOM 1182 CB VAL A 78 15.648 6.911 -2.979 1.00 1.15 C ATOM 1183 CG1 VAL A 78 16.805 7.476 -3.773 1.00 1.33 C ATOM 1184 CG2 VAL A 78 14.787 6.025 -3.864 1.00 1.14 C ATOM 0 H VAL A 78 16.841 4.646 -2.994 1.00 0.83 H new ATOM 0 HA VAL A 78 16.784 6.799 -1.128 1.00 0.92 H new ATOM 0 HB VAL A 78 15.041 7.746 -2.629 1.00 1.15 H new ATOM 0 HG11 VAL A 78 16.423 8.003 -4.648 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.370 8.169 -3.150 1.00 1.33 H new ATOM 0 HG13 VAL A 78 17.457 6.664 -4.095 1.00 1.33 H new ATOM 0 HG21 VAL A 78 14.464 6.589 -4.739 1.00 1.14 H new ATOM 0 HG22 VAL A 78 15.365 5.158 -4.184 1.00 1.14 H new ATOM 0 HG23 VAL A 78 13.913 5.692 -3.305 1.00 1.14 H new ATOM 1194 N ASN A 79 14.645 4.462 -0.758 1.00 0.78 N ATOM 1195 CA ASN A 79 13.431 3.930 -0.095 1.00 0.90 C ATOM 1196 C ASN A 79 13.503 3.933 1.425 1.00 0.78 C ATOM 1197 O ASN A 79 12.837 3.143 2.099 1.00 0.96 O ATOM 1198 CB ASN A 79 13.111 2.529 -0.609 1.00 1.13 C ATOM 1199 CG ASN A 79 12.598 2.516 -2.030 1.00 1.40 C ATOM 1200 OD1 ASN A 79 12.900 1.595 -2.804 1.00 2.19 O ATOM 1201 ND2 ASN A 79 11.786 3.493 -2.390 1.00 1.22 N ATOM 0 H ASN A 79 15.262 3.735 -1.120 1.00 0.78 H new ATOM 0 HA ASN A 79 12.624 4.614 -0.359 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.009 1.914 -0.549 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.367 2.072 0.043 1.00 1.13 H new ATOM 0 HD21 ASN A 79 11.387 3.505 -3.329 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.558 4.236 -1.729 1.00 1.22 H new ATOM 1208 N ASN A 80 14.280 4.811 1.957 1.00 0.64 N ATOM 1209 CA ASN A 80 14.402 4.952 3.378 1.00 0.59 C ATOM 1210 C ASN A 80 13.687 6.216 3.775 1.00 0.56 C ATOM 1211 O ASN A 80 14.291 7.289 3.825 1.00 0.88 O ATOM 1212 CB ASN A 80 15.881 5.021 3.812 1.00 0.72 C ATOM 1213 CG ASN A 80 16.669 3.766 3.480 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.131 2.660 3.445 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.941 3.924 3.238 1.00 1.43 N ATOM 0 H ASN A 80 14.856 5.459 1.420 1.00 0.64 H new ATOM 0 HA ASN A 80 13.962 4.085 3.871 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.354 5.876 3.328 1.00 0.72 H new ATOM 0 HB3 ASN A 80 15.928 5.196 4.887 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.521 3.116 3.011 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.355 4.855 3.275 1.00 1.43 H new ATOM 1222 N GLY A 81 12.407 6.110 4.031 1.00 0.46 N ATOM 1223 CA GLY A 81 11.626 7.273 4.357 1.00 0.49 C ATOM 1224 C GLY A 81 10.221 6.915 4.762 1.00 0.43 C ATOM 1225 O GLY A 81 9.941 5.753 5.096 1.00 0.40 O ATOM 0 H GLY A 81 11.887 5.233 4.020 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.109 7.818 5.168 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.596 7.942 3.497 1.00 0.49 H new ATOM 1229 N ASN A 82 9.338 7.889 4.717 1.00 0.45 N ATOM 1230 CA ASN A 82 7.962 7.701 5.137 1.00 0.44 C ATOM 1231 C ASN A 82 7.070 7.423 3.936 1.00 0.37 C ATOM 1232 O ASN A 82 7.056 8.193 2.965 1.00 0.46 O ATOM 1233 CB ASN A 82 7.465 8.951 5.881 1.00 0.56 C ATOM 1234 CG ASN A 82 6.084 8.817 6.541 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.211 8.077 6.099 1.00 2.23 O ATOM 1236 ND2 ASN A 82 5.888 9.545 7.607 1.00 1.65 N ATOM 0 H ASN A 82 9.550 8.831 4.390 1.00 0.45 H new ATOM 0 HA ASN A 82 7.918 6.843 5.808 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.193 9.209 6.650 1.00 0.56 H new ATOM 0 HB3 ASN A 82 7.434 9.784 5.178 1.00 0.56 H new ATOM 0 HD21 ASN A 82 4.992 9.507 8.093 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.631 10.152 7.954 1.00 1.65 H new ATOM 1243 N TYR A 83 6.360 6.327 4.003 1.00 0.29 N ATOM 1244 CA TYR A 83 5.405 5.935 3.002 1.00 0.27 C ATOM 1245 C TYR A 83 4.028 6.333 3.478 1.00 0.28 C ATOM 1246 O TYR A 83 3.480 5.739 4.421 1.00 0.47 O ATOM 1247 CB TYR A 83 5.449 4.419 2.766 1.00 0.34 C ATOM 1248 CG TYR A 83 6.747 3.917 2.195 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.861 3.643 0.844 1.00 0.60 C ATOM 1250 CD2 TYR A 83 7.863 3.726 3.001 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.046 3.198 0.311 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.048 3.279 2.473 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.131 3.016 1.126 1.00 0.60 C ATOM 1254 OH TYR A 83 10.305 2.602 0.590 1.00 0.69 O ATOM 0 H TYR A 83 6.433 5.666 4.776 1.00 0.29 H new ATOM 0 HA TYR A 83 5.645 6.430 2.061 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.261 3.911 3.712 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.639 4.145 2.090 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.006 3.781 0.199 1.00 0.60 H new ATOM 0 HD2 TYR A 83 7.797 3.933 4.059 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.122 2.993 -0.747 1.00 0.69 H new ATOM 0 HE2 TYR A 83 9.908 3.135 3.110 1.00 0.55 H new ATOM 0 HH TYR A 83 11.047 2.905 1.154 1.00 0.69 H new ATOM 1264 N THR A 84 3.500 7.345 2.882 1.00 0.22 N ATOM 1265 CA THR A 84 2.211 7.831 3.210 1.00 0.23 C ATOM 1266 C THR A 84 1.211 7.262 2.210 1.00 0.22 C ATOM 1267 O THR A 84 1.296 7.536 1.012 1.00 0.26 O ATOM 1268 CB THR A 84 2.213 9.364 3.138 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.333 9.864 3.897 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.920 9.936 3.706 1.00 0.33 C ATOM 0 H THR A 84 3.964 7.866 2.138 1.00 0.22 H new ATOM 0 HA THR A 84 1.935 7.526 4.219 1.00 0.23 H new ATOM 0 HB THR A 84 2.294 9.669 2.095 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.345 10.843 3.856 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.945 11.024 3.644 1.00 0.33 H new ATOM 0 HG22 THR A 84 0.073 9.559 3.133 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.816 9.634 4.748 1.00 0.33 H new ATOM 1278 N LEU A 85 0.312 6.450 2.682 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.677 5.859 1.824 1.00 0.19 C ATOM 1280 C LEU A 85 -1.935 6.685 1.873 1.00 0.18 C ATOM 1281 O LEU A 85 -2.533 6.852 2.942 1.00 0.19 O ATOM 1282 CB LEU A 85 -0.970 4.405 2.228 1.00 0.20 C ATOM 1283 CG LEU A 85 -1.993 3.650 1.376 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.545 3.611 -0.056 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.181 2.241 1.890 1.00 0.22 C ATOM 0 H LEU A 85 0.242 6.179 3.663 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.291 5.843 0.805 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.032 3.850 2.206 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.318 4.402 3.261 1.00 0.20 H new ATOM 0 HG LEU A 85 -2.946 4.176 1.441 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.280 3.071 -0.653 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.447 4.629 -0.434 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.582 3.105 -0.122 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.912 1.722 1.270 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.230 1.710 1.851 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.537 2.274 2.920 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.292 7.241 0.752 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.492 8.017 0.625 1.00 0.22 C ATOM 1299 C LEU A 86 -4.516 7.187 -0.102 1.00 0.22 C ATOM 1300 O LEU A 86 -4.222 6.625 -1.160 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.271 9.331 -0.181 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.299 10.400 0.371 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.624 10.779 1.799 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.844 9.992 0.218 1.00 0.32 C ATOM 0 H LEU A 86 -1.752 7.168 -0.110 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.820 8.290 1.628 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.921 9.051 -1.175 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.244 9.806 -0.307 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.443 11.291 -0.240 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.916 11.532 2.146 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.636 11.182 1.847 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.555 9.896 2.435 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.202 10.776 0.620 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.667 9.064 0.761 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.617 9.843 -0.838 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.676 7.065 0.459 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.749 6.397 -0.213 1.00 0.23 C ATOM 1318 C ALA A 87 -7.849 7.388 -0.426 1.00 0.29 C ATOM 1319 O ALA A 87 -8.381 7.958 0.540 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.261 5.217 0.603 1.00 0.24 C ATOM 0 H ALA A 87 -5.907 7.421 1.386 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.393 6.005 -1.166 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.075 4.730 0.067 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.451 4.504 0.759 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.623 5.572 1.568 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.190 7.607 -1.657 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.248 8.513 -1.982 1.00 0.45 C ATOM 1328 C ALA A 88 -10.480 7.724 -2.318 1.00 0.37 C ATOM 1329 O ALA A 88 -10.514 6.976 -3.301 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.843 9.442 -3.106 1.00 0.61 C ATOM 0 H ALA A 88 -7.746 7.166 -2.462 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.465 9.147 -1.122 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.666 10.120 -3.332 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -7.970 10.020 -2.804 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.601 8.856 -3.993 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.446 7.851 -1.470 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.701 7.148 -1.551 1.00 0.58 C ATOM 1338 C ASN A 89 -13.784 8.209 -1.644 1.00 0.57 C ATOM 1339 O ASN A 89 -13.626 9.304 -1.111 1.00 0.55 O ATOM 1340 CB ASN A 89 -12.858 6.349 -0.240 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.112 5.514 -0.151 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -15.148 5.987 0.284 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.021 4.274 -0.530 1.00 1.18 N ATOM 0 H ASN A 89 -11.388 8.473 -0.663 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.758 6.472 -2.404 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -11.994 5.694 -0.125 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.843 7.046 0.597 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.834 3.661 -0.469 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.137 3.914 -0.889 1.00 1.18 H new ATOM 1350 N PRO A 90 -14.886 7.932 -2.367 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.003 8.876 -2.513 1.00 0.68 C ATOM 1352 C PRO A 90 -16.646 9.279 -1.179 1.00 0.56 C ATOM 1353 O PRO A 90 -17.330 10.293 -1.105 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.016 8.126 -3.389 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.603 6.695 -3.328 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.117 6.706 -3.157 1.00 0.74 C ATOM 0 HA PRO A 90 -15.658 9.816 -2.944 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.032 8.259 -3.017 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -17.001 8.497 -4.414 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.088 6.183 -2.497 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.888 6.167 -4.238 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -14.764 5.817 -2.635 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -14.600 6.740 -4.116 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.437 8.488 -0.143 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.964 8.799 1.174 1.00 0.50 C ATOM 1366 C CYS A 91 -15.994 9.713 1.931 1.00 0.46 C ATOM 1367 O CYS A 91 -16.409 10.536 2.744 1.00 0.61 O ATOM 1368 CB CYS A 91 -17.220 7.511 1.971 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.976 7.752 3.617 1.00 1.10 S ATOM 0 H CYS A 91 -15.903 7.620 -0.188 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.913 9.321 1.053 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.868 6.862 1.383 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.273 6.986 2.097 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.715 9.599 1.635 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.728 10.399 2.308 1.00 0.58 C ATOM 1376 C GLY A 92 -12.341 9.936 1.969 1.00 0.49 C ATOM 1377 O GLY A 92 -12.169 8.979 1.217 1.00 0.59 O ATOM 0 H GLY A 92 -14.341 8.960 0.933 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.846 11.445 2.024 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.881 10.342 3.386 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.364 10.581 2.500 1.00 0.46 N ATOM 1382 CA GLN A 93 -10.011 10.228 2.223 1.00 0.42 C ATOM 1383 C GLN A 93 -9.368 9.675 3.476 1.00 0.41 C ATOM 1384 O GLN A 93 -9.628 10.145 4.590 1.00 0.56 O ATOM 1385 CB GLN A 93 -9.248 11.438 1.683 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.780 11.196 1.385 1.00 0.58 C ATOM 1387 CD GLN A 93 -7.091 12.449 0.907 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -7.709 13.318 0.279 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.833 12.577 1.216 1.00 1.33 N ATOM 0 H GLN A 93 -11.476 11.368 3.139 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.982 9.455 1.455 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.737 11.777 0.770 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -9.326 12.249 2.407 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.283 10.828 2.283 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.686 10.418 0.627 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.358 11.839 1.735 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.323 13.416 0.939 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.585 8.663 3.312 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.887 8.053 4.405 1.00 0.33 C ATOM 1400 C ALA A 94 -6.414 8.129 4.143 1.00 0.31 C ATOM 1401 O ALA A 94 -5.991 8.195 2.984 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.303 6.614 4.550 1.00 0.37 C ATOM 0 H ALA A 94 -8.406 8.227 2.407 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.128 8.580 5.328 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.766 6.162 5.384 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.375 6.563 4.739 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -8.070 6.074 3.633 1.00 0.37 H new ATOM 1408 N SER A 95 -5.644 8.139 5.184 1.00 0.36 N ATOM 1409 CA SER A 95 -4.229 8.177 5.066 1.00 0.37 C ATOM 1410 C SER A 95 -3.589 7.481 6.243 1.00 0.38 C ATOM 1411 O SER A 95 -4.200 7.346 7.313 1.00 0.57 O ATOM 1412 CB SER A 95 -3.740 9.628 4.959 1.00 0.43 C ATOM 1413 OG SER A 95 -4.216 10.421 6.045 1.00 0.50 O ATOM 0 H SER A 95 -5.986 8.121 6.145 1.00 0.36 H new ATOM 0 HA SER A 95 -3.938 7.652 4.156 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.650 9.646 4.944 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.079 10.059 4.017 1.00 0.43 H new ATOM 0 HG SER A 95 -3.886 11.339 5.949 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.401 7.014 6.035 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.598 6.419 7.059 1.00 0.27 C ATOM 1421 C ALA A 96 -0.169 6.638 6.660 1.00 0.23 C ATOM 1422 O ALA A 96 0.091 7.020 5.510 1.00 0.26 O ATOM 1423 CB ALA A 96 -1.905 4.938 7.213 1.00 0.30 C ATOM 0 H ALA A 96 -1.947 7.036 5.122 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.807 6.873 8.028 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.278 4.516 7.999 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -2.954 4.810 7.478 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.703 4.425 6.273 1.00 0.30 H new ATOM 1429 N SER A 97 0.745 6.447 7.552 1.00 0.26 N ATOM 1430 CA SER A 97 2.129 6.681 7.255 1.00 0.28 C ATOM 1431 C SER A 97 3.008 5.653 7.952 1.00 0.25 C ATOM 1432 O SER A 97 2.901 5.453 9.160 1.00 0.38 O ATOM 1433 CB SER A 97 2.494 8.100 7.689 1.00 0.41 C ATOM 1434 OG SER A 97 1.639 9.052 7.056 1.00 1.26 O ATOM 0 H SER A 97 0.561 6.127 8.503 1.00 0.26 H new ATOM 0 HA SER A 97 2.296 6.579 6.183 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.408 8.189 8.772 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.533 8.309 7.433 1.00 0.41 H new ATOM 0 HG SER A 97 1.885 9.956 7.345 1.00 1.26 H new ATOM 1440 N ILE A 98 3.833 4.988 7.189 1.00 0.25 N ATOM 1441 CA ILE A 98 4.748 4.006 7.716 1.00 0.28 C ATOM 1442 C ILE A 98 6.159 4.414 7.292 1.00 0.28 C ATOM 1443 O ILE A 98 6.431 4.615 6.113 1.00 0.30 O ATOM 1444 CB ILE A 98 4.339 2.534 7.252 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.188 1.401 7.916 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.335 2.386 5.728 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.614 1.236 7.410 1.00 0.37 C ATOM 0 H ILE A 98 3.891 5.111 6.178 1.00 0.25 H new ATOM 0 HA ILE A 98 4.710 3.976 8.805 1.00 0.28 H new ATOM 0 HB ILE A 98 3.318 2.405 7.611 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.226 1.588 8.989 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.664 0.455 7.775 1.00 0.72 H new ATOM 0 HG21 ILE A 98 4.051 1.368 5.462 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.620 3.087 5.296 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.331 2.598 5.339 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.098 0.420 7.947 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.598 1.010 6.344 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.168 2.160 7.577 1.00 0.37 H new ATOM 1459 N MET A 99 7.029 4.591 8.242 1.00 0.34 N ATOM 1460 CA MET A 99 8.361 5.052 7.941 1.00 0.41 C ATOM 1461 C MET A 99 9.352 3.921 8.107 1.00 0.40 C ATOM 1462 O MET A 99 9.606 3.458 9.218 1.00 0.51 O ATOM 1463 CB MET A 99 8.708 6.261 8.809 1.00 0.59 C ATOM 1464 CG MET A 99 9.974 6.964 8.387 1.00 0.85 C ATOM 1465 SD MET A 99 10.206 8.538 9.220 1.00 1.25 S ATOM 1466 CE MET A 99 11.593 9.151 8.282 1.00 1.18 C ATOM 0 H MET A 99 6.845 4.425 9.231 1.00 0.34 H new ATOM 0 HA MET A 99 8.410 5.376 6.901 1.00 0.41 H new ATOM 0 HB2 MET A 99 7.881 6.970 8.777 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.810 5.937 9.845 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.828 6.319 8.593 1.00 0.85 H new ATOM 0 HG3 MET A 99 9.951 7.128 7.310 1.00 0.85 H new ATOM 0 HE1 MET A 99 11.883 10.132 8.660 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.432 8.462 8.380 1.00 1.18 H new ATOM 0 HE3 MET A 99 11.313 9.235 7.232 1.00 1.18 H new ATOM 1476 N ALA A 100 9.910 3.480 7.007 1.00 0.42 N ATOM 1477 CA ALA A 100 10.782 2.333 7.010 1.00 0.48 C ATOM 1478 C ALA A 100 12.161 2.679 6.484 1.00 0.48 C ATOM 1479 O ALA A 100 12.334 3.647 5.731 1.00 0.57 O ATOM 1480 CB ALA A 100 10.168 1.198 6.192 1.00 0.58 C ATOM 0 H ALA A 100 9.773 3.904 6.089 1.00 0.42 H new ATOM 0 HA ALA A 100 10.896 2.004 8.043 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.838 0.338 6.203 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.208 0.916 6.624 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.020 1.529 5.164 1.00 0.58 H new ATOM 1486 N ALA A 101 13.128 1.915 6.917 1.00 0.56 N ATOM 1487 CA ALA A 101 14.494 2.038 6.488 1.00 0.65 C ATOM 1488 C ALA A 101 14.969 0.655 6.130 1.00 0.66 C ATOM 1489 O ALA A 101 14.859 -0.274 6.939 1.00 0.77 O ATOM 1490 CB ALA A 101 15.350 2.625 7.599 1.00 0.84 C ATOM 0 H ALA A 101 12.982 1.169 7.597 1.00 0.56 H new ATOM 0 HA ALA A 101 14.572 2.707 5.631 1.00 0.65 H new ATOM 0 HB1 ALA A 101 16.381 2.711 7.257 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.973 3.612 7.866 1.00 0.84 H new ATOM 0 HB3 ALA A 101 15.311 1.973 8.472 1.00 0.84 H new ATOM 1496 N PHE A 102 15.432 0.499 4.925 1.00 0.75 N ATOM 1497 CA PHE A 102 15.846 -0.802 4.435 1.00 0.87 C ATOM 1498 C PHE A 102 17.368 -0.969 4.469 1.00 1.20 C ATOM 1499 O PHE A 102 17.900 -1.634 5.361 1.00 2.05 O ATOM 1500 CB PHE A 102 15.284 -1.067 3.030 1.00 0.97 C ATOM 1501 CG PHE A 102 13.782 -0.902 2.927 1.00 1.69 C ATOM 1502 CD1 PHE A 102 12.937 -1.422 3.896 1.00 2.20 C ATOM 1503 CD2 PHE A 102 13.220 -0.241 1.855 1.00 2.45 C ATOM 1504 CE1 PHE A 102 11.568 -1.282 3.794 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.850 -0.098 1.750 1.00 3.51 C ATOM 1506 CZ PHE A 102 11.025 -0.618 2.720 1.00 3.86 C ATOM 0 H PHE A 102 15.537 1.257 4.251 1.00 0.75 H new ATOM 0 HA PHE A 102 15.429 -1.550 5.109 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.763 -0.389 2.324 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.550 -2.080 2.729 1.00 0.97 H new ATOM 0 HD1 PHE A 102 13.357 -1.944 4.743 1.00 2.20 H new ATOM 0 HD2 PHE A 102 13.859 0.170 1.088 1.00 2.45 H new ATOM 0 HE1 PHE A 102 10.924 -1.694 4.557 1.00 3.25 H new ATOM 0 HE2 PHE A 102 11.426 0.423 0.905 1.00 3.51 H new ATOM 0 HZ PHE A 102 9.954 -0.505 2.638 1.00 3.86 H new