USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 957 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 145 MET CE :methyl -147:sc= -1.77 (180deg=-3.69!) USER MOD Set 1.2: A 146 THR OG1 : rot 65:sc= 1.11 USER MOD Set 2.1: A 99 TYR OH : rot 62:sc= 0.153 USER MOD Set 2.2: A 135 GLN : amide:sc= -1.85! C(o=-1.7!,f=-6.6!) USER MOD Set 3.1: A 36 MET CE :methyl 147:sc= -1.35 (180deg=-3.76!) USER MOD Set 3.2: A 72 MET CE :methyl 140:sc= -0.106 (180deg=-0.553) USER MOD Set 4.1: A 26 THR OG1 : rot -147:sc= 1.07 USER MOD Set 4.2: A 62 THR OG1 : rot 130:sc= 1.25 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= -0.604 (180deg=-1.94!) USER MOD Single : A 17 SER OG : rot 104:sc= 0.034 USER MOD Single : A 28 THR OG1 : rot -107:sc= 0.208 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00366 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -3.03! C(o=-3!,f=-5.6!) USER MOD Single : A 44 THR OG1 : rot 149:sc= 1.21 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 156:sc= -5.38! (180deg=-6.34!) USER MOD Single : A 53 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.0052) USER MOD Single : A 70 THR OG1 : rot -178:sc= -1.57! USER MOD Single : A 71 MET CE :methyl -151:sc= -5.77! (180deg=-6.52!) USER MOD Single : A 81 SER OG : rot 29:sc= 0.0553 USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00815) USER MOD Single : A 97 ASN : amide:sc= -1.46! C(o=-1.5!,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.399 X(o=-0.4,f=0.09) USER MOD Single : A 109 MET CE :methyl -106:sc= -2.9! (180deg=-5.2!) USER MOD Single : A 110 THR OG1 : rot 91:sc= 0.914 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -115:sc= -4.89! (180deg=-8.47!) USER MOD Single : A 137 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.28) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -137:sc= -2.16 (180deg=-6.3!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 7.925 13.364 -8.166 1.00 3.51 N ATOM 91 CA GLU A 7 6.916 14.014 -9.006 1.00 3.59 C ATOM 92 C GLU A 7 5.491 13.830 -8.485 1.00 3.35 C ATOM 93 O GLU A 7 4.598 14.589 -8.872 1.00 3.38 O ATOM 94 CB GLU A 7 7.012 13.515 -10.452 1.00 3.93 C ATOM 95 CG GLU A 7 8.222 14.046 -11.207 1.00 4.45 C ATOM 96 CD GLU A 7 8.292 13.531 -12.632 1.00 5.14 C ATOM 97 OE1 GLU A 7 7.727 14.191 -13.530 1.00 5.54 O ATOM 98 OE2 GLU A 7 8.911 12.469 -12.849 1.00 5.58 O ATOM 0 HA GLU A 7 7.133 15.082 -8.971 1.00 3.59 H new ATOM 0 HB2 GLU A 7 7.047 12.426 -10.449 1.00 3.93 H new ATOM 0 HB3 GLU A 7 6.107 13.803 -10.987 1.00 3.93 H new ATOM 0 HG2 GLU A 7 8.189 15.135 -11.219 1.00 4.45 H new ATOM 0 HG3 GLU A 7 9.131 13.761 -10.676 1.00 4.45 H new ATOM 105 N GLN A 8 5.267 12.823 -7.621 1.00 3.16 N ATOM 106 CA GLN A 8 3.939 12.599 -7.037 1.00 2.96 C ATOM 107 C GLN A 8 3.535 13.800 -6.214 1.00 2.69 C ATOM 108 O GLN A 8 2.366 14.169 -6.170 1.00 2.63 O ATOM 109 CB GLN A 8 3.891 11.315 -6.202 1.00 2.87 C ATOM 110 CG GLN A 8 3.950 10.039 -7.029 1.00 3.23 C ATOM 111 CD GLN A 8 3.856 8.788 -6.177 1.00 3.13 C ATOM 112 OE1 GLN A 8 2.765 8.279 -5.919 1.00 3.27 O ATOM 113 NE2 GLN A 8 5.003 8.286 -5.734 1.00 3.29 N ATOM 0 H GLN A 8 5.981 12.161 -7.317 1.00 3.16 H new ATOM 0 HA GLN A 8 3.226 12.470 -7.851 1.00 2.96 H new ATOM 0 HB2 GLN A 8 4.724 11.319 -5.499 1.00 2.87 H new ATOM 0 HB3 GLN A 8 2.975 11.311 -5.611 1.00 2.87 H new ATOM 0 HG2 GLN A 8 3.136 10.042 -7.754 1.00 3.23 H new ATOM 0 HG3 GLN A 8 4.881 10.020 -7.595 1.00 3.23 H new ATOM 0 HE21 GLN A 8 5.884 8.741 -5.972 1.00 3.29 H new ATOM 0 HE22 GLN A 8 5.002 7.446 -5.156 1.00 3.29 H new ATOM 122 N ILE A 9 4.531 14.393 -5.565 1.00 2.59 N ATOM 123 CA ILE A 9 4.369 15.625 -4.818 1.00 2.41 C ATOM 124 C ILE A 9 3.897 16.706 -5.787 1.00 2.64 C ATOM 125 O ILE A 9 2.962 17.450 -5.492 1.00 2.55 O ATOM 126 CB ILE A 9 5.707 15.999 -4.144 1.00 2.42 C ATOM 127 CG1 ILE A 9 5.939 15.060 -2.963 1.00 2.20 C ATOM 128 CG2 ILE A 9 5.757 17.463 -3.735 1.00 2.45 C ATOM 129 CD1 ILE A 9 6.747 13.841 -3.336 1.00 2.35 C ATOM 0 H ILE A 9 5.482 14.024 -5.545 1.00 2.59 H new ATOM 0 HA ILE A 9 3.627 15.513 -4.027 1.00 2.41 H new ATOM 0 HB ILE A 9 6.516 15.874 -4.864 1.00 2.42 H new ATOM 0 HG12 ILE A 9 6.453 15.602 -2.169 1.00 2.20 H new ATOM 0 HG13 ILE A 9 4.976 14.743 -2.562 1.00 2.20 H new ATOM 0 HG21 ILE A 9 6.717 17.677 -3.266 1.00 2.45 H new ATOM 0 HG22 ILE A 9 5.636 18.092 -4.617 1.00 2.45 H new ATOM 0 HG23 ILE A 9 4.953 17.671 -3.029 1.00 2.45 H new ATOM 0 HD11 ILE A 9 6.880 13.210 -2.457 1.00 2.35 H new ATOM 0 HD12 ILE A 9 6.223 13.280 -4.110 1.00 2.35 H new ATOM 0 HD13 ILE A 9 7.722 14.152 -3.711 1.00 2.35 H new ATOM 141 N ALA A 10 4.573 16.769 -6.954 1.00 2.97 N ATOM 142 CA ALA A 10 4.188 17.681 -8.036 1.00 3.26 C ATOM 143 C ALA A 10 2.749 17.417 -8.467 1.00 3.27 C ATOM 144 O ALA A 10 2.067 18.315 -8.968 1.00 3.43 O ATOM 145 CB ALA A 10 5.142 17.561 -9.216 1.00 3.61 C ATOM 0 H ALA A 10 5.389 16.195 -7.165 1.00 2.97 H new ATOM 0 HA ALA A 10 4.251 18.703 -7.662 1.00 3.26 H new ATOM 0 HB1 ALA A 10 4.834 18.248 -10.004 1.00 3.61 H new ATOM 0 HB2 ALA A 10 6.153 17.809 -8.893 1.00 3.61 H new ATOM 0 HB3 ALA A 10 5.123 16.540 -9.597 1.00 3.61 H new ATOM 151 N GLU A 11 2.301 16.167 -8.262 1.00 3.14 N ATOM 152 CA GLU A 11 0.917 15.781 -8.546 1.00 3.18 C ATOM 153 C GLU A 11 0.049 16.144 -7.363 1.00 2.87 C ATOM 154 O GLU A 11 -1.147 16.418 -7.507 1.00 2.94 O ATOM 155 CB GLU A 11 0.781 14.276 -8.784 1.00 3.24 C ATOM 156 CG GLU A 11 1.695 13.715 -9.869 1.00 3.63 C ATOM 157 CD GLU A 11 1.564 12.213 -10.023 1.00 3.78 C ATOM 158 OE1 GLU A 11 0.719 11.770 -10.829 1.00 4.13 O ATOM 159 OE2 GLU A 11 2.306 11.478 -9.337 1.00 3.90 O ATOM 0 H GLU A 11 2.881 15.410 -7.900 1.00 3.14 H new ATOM 0 HA GLU A 11 0.607 16.309 -9.448 1.00 3.18 H new ATOM 0 HB2 GLU A 11 0.987 13.754 -7.849 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -0.253 14.056 -9.050 1.00 3.24 H new ATOM 0 HG2 GLU A 11 1.462 14.196 -10.819 1.00 3.63 H new ATOM 0 HG3 GLU A 11 2.729 13.963 -9.631 1.00 3.63 H new ATOM 166 N PHE A 12 0.681 16.141 -6.188 1.00 2.56 N ATOM 167 CA PHE A 12 0.005 16.463 -4.944 1.00 2.24 C ATOM 168 C PHE A 12 -0.310 17.958 -4.831 1.00 2.30 C ATOM 169 O PHE A 12 -1.360 18.323 -4.294 1.00 2.22 O ATOM 170 CB PHE A 12 0.831 15.997 -3.737 1.00 1.94 C ATOM 171 CG PHE A 12 0.893 14.490 -3.544 1.00 1.85 C ATOM 172 CD1 PHE A 12 0.171 13.617 -4.355 1.00 2.28 C ATOM 173 CD2 PHE A 12 1.661 13.942 -2.524 1.00 2.07 C ATOM 174 CE1 PHE A 12 0.221 12.265 -4.152 1.00 2.34 C ATOM 175 CE2 PHE A 12 1.708 12.574 -2.328 1.00 2.03 C ATOM 176 CZ PHE A 12 0.975 11.740 -3.156 1.00 1.90 C ATOM 0 H PHE A 12 1.670 15.916 -6.079 1.00 2.56 H new ATOM 0 HA PHE A 12 -0.944 15.927 -4.948 1.00 2.24 H new ATOM 0 HB2 PHE A 12 1.847 16.377 -3.843 1.00 1.94 H new ATOM 0 HB3 PHE A 12 0.415 16.447 -2.836 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -0.437 14.013 -5.155 1.00 2.28 H new ATOM 0 HD2 PHE A 12 2.229 14.593 -1.876 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -0.348 11.608 -4.794 1.00 2.34 H new ATOM 0 HE2 PHE A 12 2.312 12.159 -1.535 1.00 2.03 H new ATOM 0 HZ PHE A 12 1.004 10.671 -3.008 1.00 1.90 H new ATOM 186 N LYS A 13 0.597 18.825 -5.334 1.00 2.51 N ATOM 187 CA LYS A 13 0.366 20.280 -5.287 1.00 2.67 C ATOM 188 C LYS A 13 -0.601 20.730 -6.375 1.00 2.96 C ATOM 189 O LYS A 13 -1.188 21.806 -6.270 1.00 3.07 O ATOM 190 CB LYS A 13 1.660 21.111 -5.348 1.00 2.86 C ATOM 191 CG LYS A 13 2.776 20.548 -6.229 1.00 3.04 C ATOM 192 CD LYS A 13 4.034 20.224 -5.414 1.00 2.93 C ATOM 193 CE LYS A 13 4.821 21.473 -5.011 1.00 3.15 C ATOM 194 NZ LYS A 13 4.190 22.204 -3.877 1.00 3.58 N ATOM 0 H LYS A 13 1.477 18.547 -5.768 1.00 2.51 H new ATOM 0 HA LYS A 13 -0.084 20.468 -4.312 1.00 2.67 H new ATOM 0 HB2 LYS A 13 1.410 22.110 -5.706 1.00 2.86 H new ATOM 0 HB3 LYS A 13 2.045 21.222 -4.334 1.00 2.86 H new ATOM 0 HG2 LYS A 13 2.424 19.646 -6.729 1.00 3.04 H new ATOM 0 HG3 LYS A 13 3.023 21.269 -7.008 1.00 3.04 H new ATOM 0 HD2 LYS A 13 3.748 19.676 -4.516 1.00 2.93 H new ATOM 0 HD3 LYS A 13 4.679 19.567 -5.997 1.00 2.93 H new ATOM 0 HE2 LYS A 13 5.835 21.186 -4.734 1.00 3.15 H new ATOM 0 HE3 LYS A 13 4.902 22.140 -5.869 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 4.924 22.699 -3.331 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 3.508 22.897 -4.247 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 3.696 21.528 -3.260 1.00 3.58 H new ATOM 208 N GLU A 14 -0.767 19.907 -7.425 1.00 3.12 N ATOM 209 CA GLU A 14 -1.708 20.228 -8.505 1.00 3.43 C ATOM 210 C GLU A 14 -3.150 20.293 -7.974 1.00 3.34 C ATOM 211 O GLU A 14 -3.935 21.146 -8.396 1.00 3.56 O ATOM 212 CB GLU A 14 -1.611 19.192 -9.630 1.00 3.67 C ATOM 213 CG GLU A 14 -0.376 19.348 -10.504 1.00 4.07 C ATOM 214 CD GLU A 14 -0.282 18.281 -11.577 1.00 4.36 C ATOM 215 OE1 GLU A 14 0.272 17.199 -11.291 1.00 4.71 O ATOM 216 OE2 GLU A 14 -0.763 18.527 -12.703 1.00 4.52 O ATOM 0 H GLU A 14 -0.267 19.026 -7.546 1.00 3.12 H new ATOM 0 HA GLU A 14 -1.440 21.207 -8.903 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -1.611 18.194 -9.193 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -2.500 19.266 -10.257 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -0.390 20.331 -10.975 1.00 4.07 H new ATOM 0 HG3 GLU A 14 0.515 19.308 -9.878 1.00 4.07 H new ATOM 223 N ALA A 15 -3.478 19.378 -7.043 1.00 3.04 N ATOM 224 CA ALA A 15 -4.815 19.311 -6.442 1.00 2.97 C ATOM 225 C ALA A 15 -4.969 20.184 -5.208 1.00 2.76 C ATOM 226 O ALA A 15 -5.864 21.029 -5.160 1.00 2.91 O ATOM 227 CB ALA A 15 -5.180 17.867 -6.093 1.00 2.84 C ATOM 0 H ALA A 15 -2.829 18.674 -6.692 1.00 3.04 H new ATOM 0 HA ALA A 15 -5.499 19.699 -7.197 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -6.175 17.840 -5.649 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -5.171 17.260 -6.999 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -4.455 17.470 -5.383 1.00 2.84 H new ATOM 233 N PHE A 16 -4.112 19.960 -4.199 1.00 2.45 N ATOM 234 CA PHE A 16 -4.159 20.714 -2.938 1.00 2.28 C ATOM 235 C PHE A 16 -4.246 22.216 -3.187 1.00 2.56 C ATOM 236 O PHE A 16 -4.998 22.924 -2.522 1.00 2.60 O ATOM 237 CB PHE A 16 -2.912 20.408 -2.095 1.00 2.02 C ATOM 238 CG PHE A 16 -2.966 20.871 -0.650 1.00 1.86 C ATOM 239 CD1 PHE A 16 -2.999 22.226 -0.323 1.00 2.18 C ATOM 240 CD2 PHE A 16 -2.958 19.941 0.380 1.00 2.17 C ATOM 241 CE1 PHE A 16 -3.035 22.625 1.004 1.00 2.21 C ATOM 242 CE2 PHE A 16 -2.992 20.336 1.695 1.00 2.07 C ATOM 243 CZ PHE A 16 -3.036 21.671 2.010 1.00 1.79 C ATOM 0 H PHE A 16 -3.373 19.257 -4.234 1.00 2.45 H new ATOM 0 HA PHE A 16 -5.055 20.403 -2.400 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -2.743 19.331 -2.106 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -2.049 20.871 -2.574 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -2.997 22.968 -1.107 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -2.924 18.888 0.143 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -3.062 23.675 1.253 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -2.984 19.596 2.481 1.00 2.07 H new ATOM 0 HZ PHE A 16 -3.072 21.979 3.044 1.00 1.79 H new ATOM 253 N SER A 17 -3.481 22.678 -4.164 1.00 2.80 N ATOM 254 CA SER A 17 -3.436 24.079 -4.496 1.00 3.11 C ATOM 255 C SER A 17 -4.682 24.566 -5.218 1.00 3.36 C ATOM 256 O SER A 17 -4.940 25.773 -5.250 1.00 3.59 O ATOM 257 CB SER A 17 -2.198 24.391 -5.324 1.00 3.33 C ATOM 258 OG SER A 17 -1.018 24.273 -4.549 1.00 3.30 O ATOM 0 H SER A 17 -2.880 22.090 -4.741 1.00 2.80 H new ATOM 0 HA SER A 17 -3.391 24.616 -3.549 1.00 3.11 H new ATOM 0 HB2 SER A 17 -2.146 23.712 -6.175 1.00 3.33 H new ATOM 0 HB3 SER A 17 -2.272 25.401 -5.726 1.00 3.33 H new ATOM 0 HG SER A 17 -0.558 23.438 -4.778 1.00 3.30 H new ATOM 264 N LEU A 18 -5.457 23.642 -5.808 1.00 3.35 N ATOM 265 CA LEU A 18 -6.667 24.029 -6.511 1.00 3.63 C ATOM 266 C LEU A 18 -7.729 24.478 -5.517 1.00 3.56 C ATOM 267 O LEU A 18 -8.702 25.155 -5.861 1.00 3.81 O ATOM 268 CB LEU A 18 -7.148 22.892 -7.422 1.00 3.72 C ATOM 269 CG LEU A 18 -8.150 21.929 -6.801 1.00 3.54 C ATOM 270 CD1 LEU A 18 -9.584 22.382 -7.056 1.00 3.79 C ATOM 271 CD2 LEU A 18 -7.952 20.505 -7.298 1.00 3.53 C ATOM 0 H LEU A 18 -5.263 22.641 -5.807 1.00 3.35 H new ATOM 0 HA LEU A 18 -6.455 24.879 -7.159 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -7.597 23.330 -8.313 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -6.279 22.322 -7.750 1.00 3.72 H new ATOM 0 HG LEU A 18 -7.969 21.937 -5.726 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -10.276 21.674 -6.600 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -9.736 23.370 -6.621 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -9.766 22.427 -8.130 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -8.687 19.851 -6.830 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -8.078 20.477 -8.380 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -6.949 20.166 -7.040 1.00 3.53 H new ATOM 283 N PHE A 19 -7.492 24.071 -4.290 1.00 3.24 N ATOM 284 CA PHE A 19 -8.351 24.394 -3.162 1.00 3.16 C ATOM 285 C PHE A 19 -7.628 25.368 -2.230 1.00 3.11 C ATOM 286 O PHE A 19 -8.158 25.756 -1.183 1.00 3.07 O ATOM 287 CB PHE A 19 -8.728 23.119 -2.399 1.00 2.89 C ATOM 288 CG PHE A 19 -9.425 22.062 -3.223 1.00 3.01 C ATOM 289 CD1 PHE A 19 -8.769 20.886 -3.552 1.00 3.31 C ATOM 290 CD2 PHE A 19 -10.732 22.237 -3.660 1.00 3.27 C ATOM 291 CE1 PHE A 19 -9.398 19.908 -4.298 1.00 3.50 C ATOM 292 CE2 PHE A 19 -11.365 21.261 -4.408 1.00 3.41 C ATOM 293 CZ PHE A 19 -10.696 20.095 -4.727 1.00 3.37 C ATOM 0 H PHE A 19 -6.686 23.498 -4.039 1.00 3.24 H new ATOM 0 HA PHE A 19 -9.264 24.860 -3.532 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -7.822 22.687 -1.974 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -9.374 23.391 -1.564 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -7.753 20.732 -3.221 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -11.260 23.146 -3.413 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -8.874 18.997 -4.545 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -12.381 21.410 -4.742 1.00 3.41 H new ATOM 0 HZ PHE A 19 -11.188 19.331 -5.311 1.00 3.37 H new ATOM 303 N ALA A 20 -6.409 25.773 -2.640 1.00 3.18 N ATOM 304 CA ALA A 20 -5.563 26.705 -1.851 1.00 3.22 C ATOM 305 C ALA A 20 -6.210 28.100 -1.663 1.00 3.51 C ATOM 306 O ALA A 20 -7.421 28.254 -1.847 1.00 3.80 O ATOM 307 CB ALA A 20 -4.190 26.833 -2.512 1.00 3.38 C ATOM 0 H ALA A 20 -5.983 25.470 -3.516 1.00 3.18 H new ATOM 0 HA ALA A 20 -5.457 26.282 -0.852 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -3.570 27.517 -1.933 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -3.712 25.854 -2.551 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -4.308 27.219 -3.524 1.00 3.38 H new ATOM 354 N ASP A 24 -3.146 29.982 5.581 1.00 3.98 N ATOM 355 CA ASP A 24 -1.759 29.535 5.827 1.00 3.89 C ATOM 356 C ASP A 24 -1.270 28.605 4.705 1.00 3.62 C ATOM 357 O ASP A 24 -0.133 28.118 4.723 1.00 3.56 O ATOM 358 CB ASP A 24 -1.668 28.819 7.180 1.00 3.77 C ATOM 359 CG ASP A 24 -1.835 29.764 8.355 1.00 4.13 C ATOM 360 OD1 ASP A 24 -0.815 30.303 8.834 1.00 4.50 O ATOM 361 OD2 ASP A 24 -2.987 29.965 8.796 1.00 4.32 O ATOM 0 HA ASP A 24 -1.117 30.416 5.843 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -2.434 28.046 7.229 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -0.703 28.317 7.257 1.00 3.77 H new ATOM 366 N GLY A 25 -2.157 28.390 3.729 1.00 3.50 N ATOM 367 CA GLY A 25 -1.882 27.547 2.577 1.00 3.30 C ATOM 368 C GLY A 25 -2.337 26.152 2.871 1.00 2.90 C ATOM 369 O GLY A 25 -1.568 25.190 2.795 1.00 2.69 O ATOM 0 H GLY A 25 -3.090 28.802 3.722 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -2.397 27.933 1.697 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -0.816 27.555 2.351 1.00 3.30 H new ATOM 373 N THR A 26 -3.625 26.076 3.209 1.00 2.85 N ATOM 374 CA THR A 26 -4.252 24.835 3.596 1.00 2.53 C ATOM 375 C THR A 26 -5.488 24.503 2.760 1.00 2.45 C ATOM 376 O THR A 26 -5.893 25.283 1.893 1.00 2.66 O ATOM 377 CB THR A 26 -4.661 24.876 5.075 1.00 2.59 C ATOM 378 OG1 THR A 26 -5.664 25.872 5.314 1.00 2.84 O ATOM 379 CG2 THR A 26 -3.458 25.140 5.925 1.00 2.74 C ATOM 0 H THR A 26 -4.253 26.879 3.219 1.00 2.85 H new ATOM 0 HA THR A 26 -3.508 24.057 3.424 1.00 2.53 H new ATOM 0 HB THR A 26 -5.086 23.907 5.337 1.00 2.59 H new ATOM 0 HG1 THR A 26 -5.543 26.249 6.210 1.00 2.84 H new ATOM 0 HG21 THR A 26 -3.753 25.168 6.974 1.00 2.74 H new ATOM 0 HG22 THR A 26 -2.725 24.347 5.775 1.00 2.74 H new ATOM 0 HG23 THR A 26 -3.018 26.097 5.646 1.00 2.74 H new ATOM 387 N ILE A 27 -6.081 23.329 3.046 1.00 2.21 N ATOM 388 CA ILE A 27 -7.295 22.855 2.351 1.00 2.22 C ATOM 389 C ILE A 27 -8.140 22.028 3.321 1.00 2.15 C ATOM 390 O ILE A 27 -7.826 21.958 4.500 1.00 2.13 O ATOM 391 CB ILE A 27 -7.001 22.038 1.048 1.00 2.13 C ATOM 392 CG1 ILE A 27 -6.264 20.731 1.373 1.00 1.82 C ATOM 393 CG2 ILE A 27 -6.240 22.897 0.040 1.00 2.31 C ATOM 394 CD1 ILE A 27 -6.292 19.721 0.245 1.00 1.79 C ATOM 0 H ILE A 27 -5.737 22.686 3.759 1.00 2.21 H new ATOM 0 HA ILE A 27 -7.841 23.741 2.025 1.00 2.22 H new ATOM 0 HB ILE A 27 -7.949 21.759 0.588 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -5.227 20.960 1.618 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -6.710 20.283 2.261 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -6.044 22.314 -0.860 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -6.838 23.771 -0.217 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -5.295 23.219 0.477 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -5.752 18.824 0.547 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -7.325 19.462 0.014 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -5.819 20.149 -0.639 1.00 1.79 H new ATOM 406 N THR A 28 -9.217 21.434 2.832 1.00 2.23 N ATOM 407 CA THR A 28 -10.089 20.619 3.680 1.00 2.29 C ATOM 408 C THR A 28 -9.830 19.134 3.417 1.00 2.17 C ATOM 409 O THR A 28 -8.897 18.784 2.686 1.00 2.04 O ATOM 410 CB THR A 28 -11.591 20.975 3.494 1.00 2.57 C ATOM 411 OG1 THR A 28 -12.041 20.604 2.183 1.00 2.86 O ATOM 412 CG2 THR A 28 -11.852 22.465 3.712 1.00 3.10 C ATOM 0 H THR A 28 -9.512 21.497 1.858 1.00 2.23 H new ATOM 0 HA THR A 28 -9.849 20.840 4.720 1.00 2.29 H new ATOM 0 HB THR A 28 -12.146 20.413 4.245 1.00 2.57 H new ATOM 0 HG1 THR A 28 -12.163 21.410 1.639 1.00 2.86 H new ATOM 0 HG21 THR A 28 -12.913 22.673 3.573 1.00 3.10 H new ATOM 0 HG22 THR A 28 -11.558 22.742 4.724 1.00 3.10 H new ATOM 0 HG23 THR A 28 -11.272 23.045 2.994 1.00 3.10 H new ATOM 420 N THR A 29 -10.652 18.268 4.011 1.00 2.30 N ATOM 421 CA THR A 29 -10.461 16.826 3.894 1.00 2.30 C ATOM 422 C THR A 29 -11.137 16.181 2.688 1.00 2.50 C ATOM 423 O THR A 29 -10.502 15.407 1.968 1.00 2.44 O ATOM 424 CB THR A 29 -10.897 16.115 5.160 1.00 2.48 C ATOM 425 OG1 THR A 29 -12.169 16.601 5.611 1.00 2.75 O ATOM 426 CG2 THR A 29 -9.836 16.330 6.217 1.00 2.32 C ATOM 0 H THR A 29 -11.455 18.542 4.577 1.00 2.30 H new ATOM 0 HA THR A 29 -9.389 16.706 3.739 1.00 2.30 H new ATOM 0 HB THR A 29 -11.011 15.050 4.960 1.00 2.48 H new ATOM 0 HG1 THR A 29 -12.430 16.126 6.428 1.00 2.75 H new ATOM 0 HG21 THR A 29 -10.131 15.826 7.137 1.00 2.32 H new ATOM 0 HG22 THR A 29 -8.887 15.922 5.868 1.00 2.32 H new ATOM 0 HG23 THR A 29 -9.724 17.397 6.408 1.00 2.32 H new ATOM 434 N LYS A 30 -12.424 16.479 2.476 1.00 2.77 N ATOM 435 CA LYS A 30 -13.186 15.913 1.342 1.00 3.04 C ATOM 436 C LYS A 30 -12.495 16.184 -0.008 1.00 2.98 C ATOM 437 O LYS A 30 -12.516 15.341 -0.909 1.00 3.14 O ATOM 438 CB LYS A 30 -14.637 16.449 1.319 1.00 3.33 C ATOM 439 CG LYS A 30 -14.779 17.973 1.421 1.00 3.42 C ATOM 440 CD LYS A 30 -15.095 18.414 2.842 1.00 3.38 C ATOM 441 CE LYS A 30 -15.260 19.922 2.934 1.00 3.68 C ATOM 442 NZ LYS A 30 -15.568 20.364 4.323 1.00 3.70 N ATOM 0 H LYS A 30 -12.965 17.107 3.070 1.00 2.77 H new ATOM 0 HA LYS A 30 -13.217 14.834 1.490 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -15.114 16.118 0.396 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -15.187 15.994 2.143 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -13.856 18.448 1.089 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -15.569 18.311 0.751 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -16.009 17.926 3.181 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -14.296 18.093 3.510 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -14.346 20.409 2.593 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -16.060 20.241 2.266 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -15.673 21.398 4.343 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -16.453 19.920 4.640 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -14.793 20.082 4.957 1.00 3.70 H new ATOM 456 N GLU A 31 -11.891 17.369 -0.114 1.00 2.81 N ATOM 457 CA GLU A 31 -11.183 17.803 -1.323 1.00 2.81 C ATOM 458 C GLU A 31 -9.699 17.407 -1.325 1.00 2.52 C ATOM 459 O GLU A 31 -9.052 17.500 -2.374 1.00 2.57 O ATOM 460 CB GLU A 31 -11.329 19.323 -1.486 1.00 2.89 C ATOM 461 CG GLU A 31 -12.772 19.782 -1.692 1.00 3.24 C ATOM 462 CD GLU A 31 -12.980 21.252 -1.373 1.00 3.22 C ATOM 463 OE1 GLU A 31 -13.357 22.010 -2.291 1.00 3.26 O ATOM 464 OE2 GLU A 31 -12.773 21.645 -0.204 1.00 3.60 O ATOM 0 H GLU A 31 -11.878 18.058 0.638 1.00 2.81 H new ATOM 0 HA GLU A 31 -11.641 17.289 -2.168 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -10.923 19.815 -0.602 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -10.729 19.648 -2.336 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -13.062 19.596 -2.726 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -13.431 19.183 -1.063 1.00 3.24 H new ATOM 471 N LEU A 32 -9.148 16.962 -0.172 1.00 2.26 N ATOM 472 CA LEU A 32 -7.728 16.568 -0.124 1.00 1.98 C ATOM 473 C LEU A 32 -7.497 15.203 -0.724 1.00 2.07 C ATOM 474 O LEU A 32 -6.451 14.948 -1.312 1.00 1.98 O ATOM 475 CB LEU A 32 -7.118 16.649 1.273 1.00 1.69 C ATOM 476 CG LEU A 32 -7.653 15.776 2.411 1.00 1.74 C ATOM 477 CD1 LEU A 32 -7.153 14.335 2.367 1.00 1.76 C ATOM 478 CD2 LEU A 32 -7.168 16.407 3.668 1.00 1.59 C ATOM 0 H LEU A 32 -9.650 16.870 0.711 1.00 2.26 H new ATOM 0 HA LEU A 32 -7.210 17.306 -0.736 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -6.055 16.429 1.172 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -7.199 17.686 1.599 1.00 1.69 H new ATOM 0 HG LEU A 32 -8.739 15.722 2.332 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -7.574 13.778 3.204 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -7.462 13.871 1.430 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -6.065 14.325 2.435 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -7.517 15.829 4.524 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -6.078 16.430 3.666 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -7.553 17.425 3.736 1.00 1.59 H new ATOM 490 N GLY A 33 -8.458 14.311 -0.531 1.00 2.31 N ATOM 491 CA GLY A 33 -8.366 12.995 -1.140 1.00 2.52 C ATOM 492 C GLY A 33 -8.399 13.109 -2.637 1.00 2.75 C ATOM 493 O GLY A 33 -7.993 12.198 -3.343 1.00 2.91 O ATOM 0 H GLY A 33 -9.294 14.470 0.031 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -7.444 12.505 -0.826 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -9.191 12.370 -0.798 1.00 2.52 H new ATOM 497 N THR A 34 -8.899 14.263 -3.107 1.00 2.81 N ATOM 498 CA THR A 34 -8.946 14.579 -4.524 1.00 3.07 C ATOM 499 C THR A 34 -7.525 14.728 -5.038 1.00 2.93 C ATOM 500 O THR A 34 -7.247 14.686 -6.240 1.00 3.16 O ATOM 501 CB THR A 34 -9.830 15.820 -4.832 1.00 3.23 C ATOM 502 OG1 THR A 34 -11.063 15.725 -4.108 1.00 3.30 O ATOM 503 CG2 THR A 34 -10.142 15.941 -6.323 1.00 3.60 C ATOM 0 H THR A 34 -9.279 14.996 -2.508 1.00 2.81 H new ATOM 0 HA THR A 34 -9.429 13.758 -5.054 1.00 3.07 H new ATOM 0 HB THR A 34 -9.272 16.704 -4.525 1.00 3.23 H new ATOM 0 HG1 THR A 34 -11.618 16.509 -4.302 1.00 3.30 H new ATOM 0 HG21 THR A 34 -10.762 16.821 -6.495 1.00 3.60 H new ATOM 0 HG22 THR A 34 -9.212 16.037 -6.883 1.00 3.60 H new ATOM 0 HG23 THR A 34 -10.675 15.051 -6.656 1.00 3.60 H new ATOM 511 N VAL A 35 -6.660 14.906 -4.060 1.00 2.56 N ATOM 512 CA VAL A 35 -5.216 14.963 -4.256 1.00 2.39 C ATOM 513 C VAL A 35 -4.750 13.516 -4.314 1.00 2.44 C ATOM 514 O VAL A 35 -3.821 13.186 -5.057 1.00 2.53 O ATOM 515 CB VAL A 35 -4.402 15.653 -3.105 1.00 2.01 C ATOM 516 CG1 VAL A 35 -2.929 15.752 -3.472 1.00 1.92 C ATOM 517 CG2 VAL A 35 -4.909 17.041 -2.745 1.00 2.02 C ATOM 0 H VAL A 35 -6.941 15.018 -3.086 1.00 2.56 H new ATOM 0 HA VAL A 35 -5.038 15.558 -5.152 1.00 2.39 H new ATOM 0 HB VAL A 35 -4.540 15.016 -2.231 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -2.383 16.233 -2.660 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -2.527 14.752 -3.637 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -2.820 16.341 -4.382 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -4.298 17.455 -1.943 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -4.847 17.689 -3.619 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -5.946 16.975 -2.415 1.00 2.02 H new ATOM 527 N MET A 36 -5.417 12.653 -3.510 1.00 2.44 N ATOM 528 CA MET A 36 -5.055 11.252 -3.467 1.00 2.55 C ATOM 529 C MET A 36 -5.676 10.454 -4.620 1.00 2.97 C ATOM 530 O MET A 36 -5.074 9.489 -5.097 1.00 3.11 O ATOM 531 CB MET A 36 -5.446 10.630 -2.141 1.00 2.49 C ATOM 532 CG MET A 36 -4.397 9.670 -1.590 1.00 2.24 C ATOM 533 SD MET A 36 -4.858 8.936 -0.008 1.00 2.48 S ATOM 534 CE MET A 36 -4.448 10.260 1.129 1.00 1.96 C ATOM 0 H MET A 36 -6.192 12.914 -2.900 1.00 2.44 H new ATOM 0 HA MET A 36 -3.972 11.208 -3.578 1.00 2.55 H new ATOM 0 HB2 MET A 36 -5.620 11.423 -1.413 1.00 2.49 H new ATOM 0 HB3 MET A 36 -6.388 10.096 -2.262 1.00 2.49 H new ATOM 0 HG2 MET A 36 -4.227 8.874 -2.315 1.00 2.24 H new ATOM 0 HG3 MET A 36 -3.453 10.203 -1.474 1.00 2.24 H new ATOM 0 HE1 MET A 36 -5.146 10.250 1.966 1.00 1.96 H new ATOM 0 HE2 MET A 36 -3.433 10.119 1.501 1.00 1.96 H new ATOM 0 HE3 MET A 36 -4.515 11.217 0.612 1.00 1.96 H new ATOM 544 N ARG A 37 -6.898 10.832 -5.047 1.00 3.18 N ATOM 545 CA ARG A 37 -7.568 10.148 -6.141 1.00 3.60 C ATOM 546 C ARG A 37 -6.890 10.412 -7.502 1.00 3.77 C ATOM 547 O ARG A 37 -7.110 9.679 -8.470 1.00 4.10 O ATOM 548 CB ARG A 37 -9.035 10.578 -6.224 1.00 3.78 C ATOM 549 CG ARG A 37 -9.972 9.734 -5.377 1.00 4.18 C ATOM 550 CD ARG A 37 -9.947 10.151 -3.921 1.00 4.52 C ATOM 551 NE ARG A 37 -10.748 11.357 -3.674 1.00 4.90 N ATOM 552 CZ ARG A 37 -11.533 11.546 -2.603 1.00 5.36 C ATOM 553 NH1 ARG A 37 -11.644 10.617 -1.656 1.00 5.45 N ATOM 554 NH2 ARG A 37 -12.211 12.679 -2.481 1.00 5.91 N ATOM 0 H ARG A 37 -7.428 11.605 -4.645 1.00 3.18 H new ATOM 0 HA ARG A 37 -7.501 9.081 -5.929 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -9.117 11.619 -5.911 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -9.359 10.531 -7.264 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -10.988 9.822 -5.762 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -9.689 8.684 -5.459 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -10.324 9.335 -3.305 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -8.917 10.332 -3.615 1.00 4.52 H new ATOM 0 HE ARG A 37 -10.704 12.104 -4.367 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -11.127 9.742 -1.737 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -12.246 10.780 -0.849 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -12.134 13.400 -3.199 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -12.810 12.830 -1.669 1.00 5.91 H new ATOM 568 N SER A 38 -6.067 11.473 -7.542 1.00 3.57 N ATOM 569 CA SER A 38 -5.362 11.921 -8.760 1.00 3.76 C ATOM 570 C SER A 38 -4.273 10.946 -9.234 1.00 3.81 C ATOM 571 O SER A 38 -4.208 10.626 -10.425 1.00 4.08 O ATOM 572 CB SER A 38 -4.745 13.304 -8.517 1.00 3.59 C ATOM 573 OG SER A 38 -4.307 13.895 -9.729 1.00 3.89 O ATOM 0 H SER A 38 -5.869 12.050 -6.725 1.00 3.57 H new ATOM 0 HA SER A 38 -6.108 11.964 -9.554 1.00 3.76 H new ATOM 0 HB2 SER A 38 -5.479 13.953 -8.039 1.00 3.59 H new ATOM 0 HB3 SER A 38 -3.904 13.213 -7.830 1.00 3.59 H new ATOM 0 HG SER A 38 -3.920 14.776 -9.542 1.00 3.89 H new ATOM 579 N LEU A 39 -3.423 10.477 -8.303 1.00 3.59 N ATOM 580 CA LEU A 39 -2.324 9.537 -8.632 1.00 3.65 C ATOM 581 C LEU A 39 -2.858 8.156 -9.048 1.00 3.91 C ATOM 582 O LEU A 39 -2.104 7.313 -9.548 1.00 4.06 O ATOM 583 CB LEU A 39 -1.341 9.324 -7.439 1.00 3.29 C ATOM 584 CG LEU A 39 -1.162 10.415 -6.369 1.00 3.06 C ATOM 585 CD1 LEU A 39 -0.779 11.769 -6.951 1.00 2.78 C ATOM 586 CD2 LEU A 39 -2.377 10.527 -5.461 1.00 3.19 C ATOM 0 H LEU A 39 -3.472 10.730 -7.316 1.00 3.59 H new ATOM 0 HA LEU A 39 -1.792 10.002 -9.462 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -1.653 8.416 -6.923 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -0.357 9.126 -7.864 1.00 3.29 H new ATOM 0 HG LEU A 39 -0.319 10.093 -5.758 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -0.668 12.494 -6.144 1.00 2.78 H new ATOM 0 HD12 LEU A 39 0.164 11.680 -7.490 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -1.558 12.104 -7.635 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -2.207 11.309 -4.721 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -3.255 10.776 -6.057 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -2.541 9.576 -4.953 1.00 3.19 H new ATOM 598 N GLY A 40 -4.159 7.951 -8.843 1.00 4.01 N ATOM 599 CA GLY A 40 -4.797 6.679 -9.149 1.00 4.30 C ATOM 600 C GLY A 40 -5.018 5.875 -7.884 1.00 4.16 C ATOM 601 O GLY A 40 -4.943 4.643 -7.894 1.00 4.36 O ATOM 0 H GLY A 40 -4.791 8.656 -8.464 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -5.751 6.855 -9.646 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -4.176 6.112 -9.843 1.00 4.30 H new ATOM 605 N GLN A 41 -5.294 6.601 -6.793 1.00 3.86 N ATOM 606 CA GLN A 41 -5.512 6.019 -5.472 1.00 3.74 C ATOM 607 C GLN A 41 -6.716 6.702 -4.828 1.00 3.60 C ATOM 608 O GLN A 41 -7.355 7.539 -5.461 1.00 3.46 O ATOM 609 CB GLN A 41 -4.258 6.197 -4.589 1.00 3.47 C ATOM 610 CG GLN A 41 -2.980 5.602 -5.174 1.00 3.68 C ATOM 611 CD GLN A 41 -1.930 5.318 -4.121 1.00 3.94 C ATOM 612 OE1 GLN A 41 -1.897 4.235 -3.538 1.00 4.34 O ATOM 613 NE2 GLN A 41 -1.061 6.291 -3.878 1.00 4.15 N ATOM 0 H GLN A 41 -5.372 7.618 -6.808 1.00 3.86 H new ATOM 0 HA GLN A 41 -5.704 4.951 -5.571 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -4.101 7.261 -4.414 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -4.445 5.739 -3.618 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -3.222 4.677 -5.698 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -2.570 6.290 -5.914 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -1.127 7.173 -4.386 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -0.327 6.157 -3.183 1.00 4.15 H new ATOM 622 N ASN A 42 -7.060 6.319 -3.595 1.00 3.76 N ATOM 623 CA ASN A 42 -8.177 6.927 -2.885 1.00 3.68 C ATOM 624 C ASN A 42 -8.001 6.701 -1.358 1.00 3.53 C ATOM 625 O ASN A 42 -7.622 5.595 -0.962 1.00 3.67 O ATOM 626 CB ASN A 42 -9.516 6.318 -3.369 1.00 4.06 C ATOM 627 CG ASN A 42 -10.753 7.045 -2.859 1.00 4.60 C ATOM 628 OD1 ASN A 42 -10.922 7.247 -1.657 1.00 4.82 O ATOM 629 ND2 ASN A 42 -11.628 7.437 -3.778 1.00 5.19 N ATOM 0 H ASN A 42 -6.577 5.589 -3.071 1.00 3.76 H new ATOM 0 HA ASN A 42 -8.194 7.997 -3.090 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -9.530 6.321 -4.459 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -9.564 5.276 -3.052 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -12.478 7.925 -3.497 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -11.450 7.250 -4.765 1.00 5.19 H new ATOM 636 N PRO A 43 -8.265 7.717 -0.471 1.00 3.30 N ATOM 637 CA PRO A 43 -8.120 7.560 0.988 1.00 3.22 C ATOM 638 C PRO A 43 -9.393 7.037 1.672 1.00 3.54 C ATOM 639 O PRO A 43 -10.440 6.910 1.030 1.00 3.81 O ATOM 640 CB PRO A 43 -7.810 8.989 1.470 1.00 2.89 C ATOM 641 CG PRO A 43 -8.018 9.900 0.293 1.00 2.92 C ATOM 642 CD PRO A 43 -8.698 9.093 -0.782 1.00 3.17 C ATOM 0 HA PRO A 43 -7.353 6.826 1.233 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -8.464 9.269 2.296 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -6.786 9.059 1.837 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -8.629 10.758 0.574 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -7.065 10.290 -0.064 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -9.782 9.196 -0.742 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -8.385 9.401 -1.780 1.00 3.17 H new ATOM 650 N THR A 44 -9.286 6.737 2.980 1.00 3.56 N ATOM 651 CA THR A 44 -10.421 6.244 3.775 1.00 3.90 C ATOM 652 C THR A 44 -11.284 7.420 4.257 1.00 3.85 C ATOM 653 O THR A 44 -10.805 8.553 4.331 1.00 3.54 O ATOM 654 CB THR A 44 -9.947 5.412 4.995 1.00 4.01 C ATOM 655 OG1 THR A 44 -8.713 4.745 4.692 1.00 3.86 O ATOM 656 CG2 THR A 44 -10.989 4.371 5.393 1.00 4.50 C ATOM 0 H THR A 44 -8.419 6.829 3.509 1.00 3.56 H new ATOM 0 HA THR A 44 -11.014 5.595 3.131 1.00 3.90 H new ATOM 0 HB THR A 44 -9.802 6.101 5.827 1.00 4.01 H new ATOM 0 HG1 THR A 44 -8.181 4.655 5.510 1.00 3.86 H new ATOM 0 HG21 THR A 44 -10.628 3.804 6.251 1.00 4.50 H new ATOM 0 HG22 THR A 44 -11.921 4.871 5.655 1.00 4.50 H new ATOM 0 HG23 THR A 44 -11.164 3.693 4.558 1.00 4.50 H new ATOM 664 N GLU A 45 -12.549 7.133 4.588 1.00 4.21 N ATOM 665 CA GLU A 45 -13.503 8.163 5.037 1.00 4.27 C ATOM 666 C GLU A 45 -13.330 8.556 6.513 1.00 4.16 C ATOM 667 O GLU A 45 -13.650 9.687 6.890 1.00 4.02 O ATOM 668 CB GLU A 45 -14.940 7.686 4.805 1.00 4.73 C ATOM 669 CG GLU A 45 -15.364 7.699 3.343 1.00 4.87 C ATOM 670 CD GLU A 45 -16.789 7.221 3.146 1.00 5.41 C ATOM 671 OE1 GLU A 45 -17.709 8.065 3.181 1.00 5.67 O ATOM 672 OE2 GLU A 45 -16.986 6.002 2.958 1.00 5.89 O ATOM 0 H GLU A 45 -12.940 6.192 4.554 1.00 4.21 H new ATOM 0 HA GLU A 45 -13.293 9.052 4.443 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -15.044 6.673 5.195 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -15.619 8.319 5.376 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -15.266 8.711 2.949 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -14.689 7.066 2.767 1.00 4.87 H new ATOM 679 N ALA A 46 -12.828 7.628 7.337 1.00 4.29 N ATOM 680 CA ALA A 46 -12.647 7.878 8.773 1.00 4.30 C ATOM 681 C ALA A 46 -11.250 8.395 9.132 1.00 3.96 C ATOM 682 O ALA A 46 -11.072 8.991 10.199 1.00 3.93 O ATOM 683 CB ALA A 46 -12.938 6.612 9.562 1.00 4.70 C ATOM 0 H ALA A 46 -12.540 6.697 7.034 1.00 4.29 H new ATOM 0 HA ALA A 46 -13.353 8.665 9.038 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -12.801 6.807 10.626 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -13.966 6.298 9.380 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -12.256 5.822 9.247 1.00 4.70 H new ATOM 689 N GLU A 47 -10.267 8.172 8.249 1.00 3.76 N ATOM 690 CA GLU A 47 -8.889 8.593 8.500 1.00 3.47 C ATOM 691 C GLU A 47 -8.627 10.051 8.161 1.00 3.09 C ATOM 692 O GLU A 47 -7.779 10.681 8.799 1.00 2.91 O ATOM 693 CB GLU A 47 -7.899 7.689 7.755 1.00 3.43 C ATOM 694 CG GLU A 47 -7.745 6.307 8.375 1.00 3.78 C ATOM 695 CD GLU A 47 -6.688 5.471 7.681 1.00 3.77 C ATOM 696 OE1 GLU A 47 -7.053 4.661 6.804 1.00 3.72 O ATOM 697 OE2 GLU A 47 -5.494 5.626 8.014 1.00 4.19 O ATOM 0 H GLU A 47 -10.405 7.702 7.355 1.00 3.76 H new ATOM 0 HA GLU A 47 -8.737 8.493 9.575 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -8.228 7.579 6.722 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -6.924 8.176 7.729 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -7.486 6.412 9.428 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -8.701 5.785 8.333 1.00 3.78 H new ATOM 704 N LEU A 48 -9.347 10.593 7.170 1.00 3.03 N ATOM 705 CA LEU A 48 -9.187 12.007 6.770 1.00 2.71 C ATOM 706 C LEU A 48 -9.401 12.940 7.955 1.00 2.75 C ATOM 707 O LEU A 48 -8.906 14.059 7.977 1.00 2.53 O ATOM 708 CB LEU A 48 -10.170 12.415 5.681 1.00 2.77 C ATOM 709 CG LEU A 48 -10.348 11.448 4.519 1.00 2.90 C ATOM 710 CD1 LEU A 48 -11.790 11.450 4.035 1.00 3.19 C ATOM 711 CD2 LEU A 48 -9.411 11.842 3.402 1.00 2.63 C ATOM 0 H LEU A 48 -10.044 10.081 6.630 1.00 3.03 H new ATOM 0 HA LEU A 48 -8.169 12.094 6.390 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -11.144 12.572 6.144 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -9.850 13.376 5.277 1.00 2.77 H new ATOM 0 HG LEU A 48 -10.111 10.437 4.851 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -11.896 10.752 3.204 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -12.448 11.147 4.850 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -12.061 12.452 3.704 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -9.532 11.154 2.565 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -9.641 12.856 3.074 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -8.382 11.801 3.759 1.00 2.63 H new ATOM 723 N GLN A 49 -10.183 12.461 8.916 1.00 3.08 N ATOM 724 CA GLN A 49 -10.472 13.202 10.133 1.00 3.22 C ATOM 725 C GLN A 49 -9.376 13.010 11.186 1.00 3.25 C ATOM 726 O GLN A 49 -9.051 13.957 11.902 1.00 3.25 O ATOM 727 CB GLN A 49 -11.820 12.764 10.715 1.00 3.61 C ATOM 728 CG GLN A 49 -13.023 13.254 9.922 1.00 3.67 C ATOM 729 CD GLN A 49 -14.340 12.806 10.524 1.00 4.10 C ATOM 730 OE1 GLN A 49 -14.860 11.741 10.188 1.00 4.58 O ATOM 731 NE2 GLN A 49 -14.888 13.618 11.420 1.00 4.30 N ATOM 0 H GLN A 49 -10.634 11.547 8.871 1.00 3.08 H new ATOM 0 HA GLN A 49 -10.512 14.259 9.869 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -11.848 11.675 10.762 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -11.899 13.130 11.739 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -13.002 14.343 9.873 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -12.952 12.887 8.898 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -14.423 14.491 11.669 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -15.774 13.369 11.859 1.00 4.30 H new ATOM 740 N ASP A 50 -8.816 11.786 11.285 1.00 3.34 N ATOM 741 CA ASP A 50 -7.785 11.499 12.295 1.00 3.43 C ATOM 742 C ASP A 50 -6.332 11.769 11.863 1.00 3.13 C ATOM 743 O ASP A 50 -5.629 12.501 12.561 1.00 3.13 O ATOM 744 CB ASP A 50 -7.891 10.082 12.819 1.00 3.76 C ATOM 745 CG ASP A 50 -9.213 9.797 13.511 1.00 4.11 C ATOM 746 OD1 ASP A 50 -9.297 10.006 14.740 1.00 4.38 O ATOM 747 OD2 ASP A 50 -10.162 9.364 12.824 1.00 4.38 O ATOM 0 H ASP A 50 -9.057 10.995 10.687 1.00 3.34 H new ATOM 0 HA ASP A 50 -8.005 12.218 13.084 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -7.764 9.385 11.991 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -7.075 9.898 13.518 1.00 3.76 H new ATOM 752 N MET A 51 -5.843 11.169 10.748 1.00 2.93 N ATOM 753 CA MET A 51 -4.428 11.393 10.342 1.00 2.66 C ATOM 754 C MET A 51 -4.193 12.825 9.933 1.00 2.39 C ATOM 755 O MET A 51 -3.107 13.372 10.146 1.00 2.30 O ATOM 756 CB MET A 51 -3.905 10.406 9.282 1.00 2.59 C ATOM 757 CG MET A 51 -4.898 9.989 8.215 1.00 2.35 C ATOM 758 SD MET A 51 -4.835 11.033 6.759 1.00 2.18 S ATOM 759 CE MET A 51 -6.245 10.371 5.908 1.00 2.48 C ATOM 0 H MET A 51 -6.378 10.553 10.136 1.00 2.93 H new ATOM 0 HA MET A 51 -3.837 11.187 11.235 1.00 2.66 H new ATOM 0 HB2 MET A 51 -3.041 10.855 8.791 1.00 2.59 H new ATOM 0 HB3 MET A 51 -3.552 9.510 9.792 1.00 2.59 H new ATOM 0 HG2 MET A 51 -4.700 8.957 7.925 1.00 2.35 H new ATOM 0 HG3 MET A 51 -5.905 10.016 8.632 1.00 2.35 H new ATOM 0 HE1 MET A 51 -6.638 11.118 5.219 1.00 2.48 H new ATOM 0 HE2 MET A 51 -5.949 9.483 5.350 1.00 2.48 H new ATOM 0 HE3 MET A 51 -7.015 10.105 6.632 1.00 2.48 H new ATOM 769 N ILE A 52 -5.225 13.428 9.368 1.00 2.33 N ATOM 770 CA ILE A 52 -5.198 14.827 8.989 1.00 2.15 C ATOM 771 C ILE A 52 -5.233 15.687 10.250 1.00 2.40 C ATOM 772 O ILE A 52 -4.806 16.829 10.248 1.00 2.36 O ATOM 773 CB ILE A 52 -6.375 15.135 8.032 1.00 2.10 C ATOM 774 CG1 ILE A 52 -5.873 15.111 6.597 1.00 1.78 C ATOM 775 CG2 ILE A 52 -7.084 16.452 8.340 1.00 2.22 C ATOM 776 CD1 ILE A 52 -6.430 13.971 5.782 1.00 1.85 C ATOM 0 H ILE A 52 -6.106 12.959 9.159 1.00 2.33 H new ATOM 0 HA ILE A 52 -4.279 15.059 8.451 1.00 2.15 H new ATOM 0 HB ILE A 52 -7.126 14.359 8.180 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -6.133 16.053 6.114 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -4.785 15.045 6.602 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -7.897 16.602 7.630 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -7.487 16.420 9.352 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -6.374 17.275 8.258 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -6.029 14.017 4.770 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -6.148 13.024 6.241 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -7.517 14.047 5.745 1.00 1.85 H new ATOM 788 N ASN A 53 -5.718 15.080 11.329 1.00 2.72 N ATOM 789 CA ASN A 53 -5.816 15.717 12.635 1.00 3.03 C ATOM 790 C ASN A 53 -4.463 15.809 13.293 1.00 3.09 C ATOM 791 O ASN A 53 -4.270 16.451 14.323 1.00 3.36 O ATOM 792 CB ASN A 53 -6.792 14.921 13.507 1.00 3.37 C ATOM 793 CG ASN A 53 -7.181 15.621 14.801 1.00 3.66 C ATOM 794 OD1 ASN A 53 -8.157 16.371 14.846 1.00 3.89 O ATOM 795 ND2 ASN A 53 -6.416 15.378 15.859 1.00 3.98 N ATOM 0 H ASN A 53 -6.058 14.118 11.319 1.00 2.72 H new ATOM 0 HA ASN A 53 -6.188 16.734 12.511 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -7.695 14.718 12.931 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -6.344 13.957 13.748 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -6.628 15.820 16.754 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -5.617 14.750 15.777 1.00 3.98 H new ATOM 802 N GLU A 54 -3.582 15.091 12.696 1.00 2.90 N ATOM 803 CA GLU A 54 -2.186 15.045 13.099 1.00 2.96 C ATOM 804 C GLU A 54 -1.384 16.140 12.394 1.00 2.77 C ATOM 805 O GLU A 54 -0.299 16.514 12.849 1.00 2.93 O ATOM 806 CB GLU A 54 -1.590 13.669 12.782 1.00 2.91 C ATOM 807 CG GLU A 54 -2.107 12.552 13.679 1.00 3.22 C ATOM 808 CD GLU A 54 -1.546 11.195 13.304 1.00 3.25 C ATOM 809 OE1 GLU A 54 -0.485 10.821 13.847 1.00 3.56 O ATOM 810 OE2 GLU A 54 -2.167 10.506 12.468 1.00 3.40 O ATOM 0 H GLU A 54 -3.796 14.499 11.894 1.00 2.90 H new ATOM 0 HA GLU A 54 -2.132 15.216 14.174 1.00 2.96 H new ATOM 0 HB2 GLU A 54 -1.809 13.419 11.744 1.00 2.91 H new ATOM 0 HB3 GLU A 54 -0.505 13.724 12.874 1.00 2.91 H new ATOM 0 HG2 GLU A 54 -1.849 12.774 14.714 1.00 3.22 H new ATOM 0 HG3 GLU A 54 -3.195 12.519 13.622 1.00 3.22 H new ATOM 817 N VAL A 55 -1.935 16.641 11.285 1.00 2.49 N ATOM 818 CA VAL A 55 -1.281 17.687 10.496 1.00 2.36 C ATOM 819 C VAL A 55 -2.181 18.899 10.244 1.00 2.40 C ATOM 820 O VAL A 55 -1.676 19.989 9.951 1.00 2.49 O ATOM 821 CB VAL A 55 -0.722 17.105 9.156 1.00 1.99 C ATOM 822 CG1 VAL A 55 -0.222 18.185 8.195 1.00 2.37 C ATOM 823 CG2 VAL A 55 0.399 16.116 9.443 1.00 2.07 C ATOM 0 H VAL A 55 -2.835 16.338 10.913 1.00 2.49 H new ATOM 0 HA VAL A 55 -0.444 18.051 11.092 1.00 2.36 H new ATOM 0 HB VAL A 55 -1.554 16.600 8.665 1.00 1.99 H new ATOM 0 HG11 VAL A 55 0.153 17.717 7.285 1.00 2.37 H new ATOM 0 HG12 VAL A 55 -1.042 18.858 7.946 1.00 2.37 H new ATOM 0 HG13 VAL A 55 0.580 18.751 8.669 1.00 2.37 H new ATOM 0 HG21 VAL A 55 0.781 15.717 8.504 1.00 2.07 H new ATOM 0 HG22 VAL A 55 1.204 16.623 9.976 1.00 2.07 H new ATOM 0 HG23 VAL A 55 0.016 15.300 10.055 1.00 2.07 H new ATOM 833 N ALA A 56 -3.491 18.737 10.389 1.00 2.43 N ATOM 834 CA ALA A 56 -4.401 19.845 10.149 1.00 2.53 C ATOM 835 C ALA A 56 -4.873 20.391 11.487 1.00 2.90 C ATOM 836 O ALA A 56 -5.829 21.172 11.576 1.00 3.05 O ATOM 837 CB ALA A 56 -5.549 19.399 9.261 1.00 2.36 C ATOM 0 H ALA A 56 -3.939 17.864 10.667 1.00 2.43 H new ATOM 0 HA ALA A 56 -3.892 20.649 9.618 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -6.223 20.238 9.089 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -5.156 19.048 8.307 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -6.093 18.590 9.749 1.00 2.36 H new ATOM 843 N ALA A 57 -4.147 19.966 12.524 1.00 3.08 N ATOM 844 CA ALA A 57 -4.413 20.365 13.885 1.00 3.45 C ATOM 845 C ALA A 57 -3.353 21.307 14.405 1.00 3.67 C ATOM 846 O ALA A 57 -2.149 21.072 14.276 1.00 3.69 O ATOM 847 CB ALA A 57 -4.544 19.159 14.791 1.00 3.64 C ATOM 0 H ALA A 57 -3.355 19.331 12.429 1.00 3.08 H new ATOM 0 HA ALA A 57 -5.363 20.899 13.886 1.00 3.45 H new ATOM 0 HB1 ALA A 57 -4.744 19.490 15.810 1.00 3.64 H new ATOM 0 HB2 ALA A 57 -5.365 18.532 14.445 1.00 3.64 H new ATOM 0 HB3 ALA A 57 -3.617 18.586 14.771 1.00 3.64 H new ATOM 886 N GLY A 61 -8.490 24.730 11.429 1.00 3.52 N ATOM 887 CA GLY A 61 -9.723 24.175 10.884 1.00 3.44 C ATOM 888 C GLY A 61 -9.547 23.477 9.541 1.00 3.11 C ATOM 889 O GLY A 61 -10.521 22.951 8.994 1.00 3.10 O ATOM 0 HA2 GLY A 61 -10.137 23.465 11.600 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -10.452 24.977 10.772 1.00 3.44 H new ATOM 893 N THR A 62 -8.314 23.468 9.008 1.00 2.91 N ATOM 894 CA THR A 62 -8.022 22.809 7.729 1.00 2.61 C ATOM 895 C THR A 62 -6.608 22.209 7.698 1.00 2.41 C ATOM 896 O THR A 62 -5.868 22.280 8.683 1.00 2.55 O ATOM 897 CB THR A 62 -8.233 23.749 6.518 1.00 2.62 C ATOM 898 OG1 THR A 62 -7.718 25.055 6.801 1.00 2.84 O ATOM 899 CG2 THR A 62 -9.712 23.836 6.171 1.00 2.75 C ATOM 0 H THR A 62 -7.505 23.910 9.445 1.00 2.91 H new ATOM 0 HA THR A 62 -8.739 21.993 7.645 1.00 2.61 H new ATOM 0 HB THR A 62 -7.693 23.339 5.665 1.00 2.62 H new ATOM 0 HG1 THR A 62 -7.130 25.340 6.071 1.00 2.84 H new ATOM 0 HG21 THR A 62 -9.847 24.500 5.317 1.00 2.75 H new ATOM 0 HG22 THR A 62 -10.086 22.843 5.921 1.00 2.75 H new ATOM 0 HG23 THR A 62 -10.264 24.227 7.026 1.00 2.75 H new ATOM 907 N ILE A 63 -6.249 21.657 6.534 1.00 2.14 N ATOM 908 CA ILE A 63 -4.988 20.964 6.301 1.00 1.93 C ATOM 909 C ILE A 63 -4.011 21.786 5.512 1.00 1.95 C ATOM 910 O ILE A 63 -4.371 22.370 4.510 1.00 1.99 O ATOM 911 CB ILE A 63 -5.133 19.738 5.387 1.00 1.63 C ATOM 912 CG1 ILE A 63 -6.577 19.501 4.900 1.00 1.70 C ATOM 913 CG2 ILE A 63 -4.527 18.444 5.949 1.00 1.51 C ATOM 914 CD1 ILE A 63 -7.516 18.925 5.943 1.00 1.95 C ATOM 0 H ILE A 63 -6.848 21.683 5.709 1.00 2.14 H new ATOM 0 HA ILE A 63 -4.663 20.727 7.314 1.00 1.93 H new ATOM 0 HB ILE A 63 -4.531 20.005 4.518 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -6.986 20.448 4.547 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -6.550 18.827 4.044 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -4.677 17.633 5.236 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -3.460 18.586 6.119 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -5.014 18.193 6.891 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -8.507 18.794 5.508 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -7.137 17.960 6.280 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -7.580 19.607 6.791 1.00 1.95 H new ATOM 926 N ASP A 64 -2.765 21.713 5.903 1.00 2.01 N ATOM 927 CA ASP A 64 -1.697 22.384 5.203 1.00 2.12 C ATOM 928 C ASP A 64 -0.986 21.366 4.290 1.00 1.86 C ATOM 929 O ASP A 64 -1.112 20.156 4.503 1.00 1.62 O ATOM 930 CB ASP A 64 -0.720 23.083 6.159 1.00 2.46 C ATOM 931 CG ASP A 64 -0.021 22.144 7.137 1.00 2.46 C ATOM 932 OD1 ASP A 64 1.071 21.641 6.799 1.00 2.68 O ATOM 933 OD2 ASP A 64 -0.569 21.917 8.236 1.00 2.74 O ATOM 0 H ASP A 64 -2.460 21.184 6.720 1.00 2.01 H new ATOM 0 HA ASP A 64 -2.121 23.180 4.591 1.00 2.12 H new ATOM 0 HB2 ASP A 64 0.035 23.605 5.571 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -1.262 23.840 6.725 1.00 2.46 H new ATOM 938 N PHE A 65 -0.242 21.849 3.292 1.00 1.97 N ATOM 939 CA PHE A 65 0.419 20.966 2.316 1.00 1.80 C ATOM 940 C PHE A 65 1.733 20.284 2.814 1.00 1.83 C ATOM 941 O PHE A 65 1.913 19.096 2.543 1.00 1.60 O ATOM 942 CB PHE A 65 0.711 21.750 1.021 1.00 2.04 C ATOM 943 CG PHE A 65 1.012 20.886 -0.188 1.00 1.95 C ATOM 944 CD1 PHE A 65 2.265 20.893 -0.779 1.00 2.40 C ATOM 945 CD2 PHE A 65 0.032 20.076 -0.729 1.00 2.11 C ATOM 946 CE1 PHE A 65 2.522 20.107 -1.888 1.00 2.45 C ATOM 947 CE2 PHE A 65 0.272 19.289 -1.830 1.00 2.08 C ATOM 948 CZ PHE A 65 1.523 19.305 -2.414 1.00 1.96 C ATOM 0 H PHE A 65 -0.080 22.844 3.135 1.00 1.97 H new ATOM 0 HA PHE A 65 -0.286 20.153 2.145 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -0.147 22.383 0.794 1.00 2.04 H new ATOM 0 HB3 PHE A 65 1.558 22.413 1.197 1.00 2.04 H new ATOM 0 HD1 PHE A 65 3.047 21.517 -0.371 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -0.948 20.061 -0.275 1.00 2.11 H new ATOM 0 HE1 PHE A 65 3.501 20.119 -2.343 1.00 2.45 H new ATOM 0 HE2 PHE A 65 -0.510 18.664 -2.234 1.00 2.08 H new ATOM 0 HZ PHE A 65 1.722 18.692 -3.281 1.00 1.96 H new ATOM 958 N PRO A 66 2.665 20.998 3.543 1.00 2.16 N ATOM 959 CA PRO A 66 3.981 20.435 3.981 1.00 2.30 C ATOM 960 C PRO A 66 3.996 18.999 4.562 1.00 2.09 C ATOM 961 O PRO A 66 4.703 18.140 4.030 1.00 2.04 O ATOM 962 CB PRO A 66 4.446 21.442 5.036 1.00 2.67 C ATOM 963 CG PRO A 66 3.880 22.735 4.586 1.00 2.78 C ATOM 964 CD PRO A 66 2.530 22.409 4.008 1.00 2.48 C ATOM 0 HA PRO A 66 4.621 20.314 3.107 1.00 2.30 H new ATOM 0 HB2 PRO A 66 4.084 21.174 6.028 1.00 2.67 H new ATOM 0 HB3 PRO A 66 5.534 21.483 5.094 1.00 2.67 H new ATOM 0 HG2 PRO A 66 3.791 23.434 5.417 1.00 2.78 H new ATOM 0 HG3 PRO A 66 4.522 23.205 3.841 1.00 2.78 H new ATOM 0 HD2 PRO A 66 1.742 22.509 4.754 1.00 2.48 H new ATOM 0 HD3 PRO A 66 2.277 23.077 3.185 1.00 2.48 H new ATOM 972 N GLU A 67 3.247 18.740 5.644 1.00 2.04 N ATOM 973 CA GLU A 67 3.244 17.415 6.279 1.00 1.95 C ATOM 974 C GLU A 67 2.204 16.456 5.739 1.00 1.60 C ATOM 975 O GLU A 67 2.255 15.250 5.999 1.00 1.59 O ATOM 976 CB GLU A 67 3.172 17.525 7.803 1.00 2.24 C ATOM 977 CG GLU A 67 4.500 17.886 8.451 1.00 2.61 C ATOM 978 CD GLU A 67 4.403 17.984 9.961 1.00 3.15 C ATOM 979 OE1 GLU A 67 4.114 19.090 10.466 1.00 3.47 O ATOM 980 OE2 GLU A 67 4.615 16.957 10.638 1.00 3.66 O ATOM 0 H GLU A 67 2.640 19.425 6.094 1.00 2.04 H new ATOM 0 HA GLU A 67 4.201 16.970 6.008 1.00 1.95 H new ATOM 0 HB2 GLU A 67 2.430 18.278 8.070 1.00 2.24 H new ATOM 0 HB3 GLU A 67 2.824 16.576 8.211 1.00 2.24 H new ATOM 0 HG2 GLU A 67 5.245 17.136 8.186 1.00 2.61 H new ATOM 0 HG3 GLU A 67 4.849 18.838 8.050 1.00 2.61 H new ATOM 987 N PHE A 68 1.284 17.004 4.991 1.00 1.40 N ATOM 988 CA PHE A 68 0.189 16.237 4.372 1.00 1.10 C ATOM 989 C PHE A 68 0.764 15.217 3.354 1.00 0.99 C ATOM 990 O PHE A 68 0.162 14.165 3.124 1.00 0.94 O ATOM 991 CB PHE A 68 -0.844 17.226 3.779 1.00 1.04 C ATOM 992 CG PHE A 68 -1.876 16.687 2.815 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.989 15.969 3.254 1.00 1.36 C ATOM 994 CD2 PHE A 68 -1.770 16.987 1.464 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.954 15.574 2.361 1.00 1.57 C ATOM 996 CE2 PHE A 68 -2.732 16.572 0.566 1.00 1.57 C ATOM 997 CZ PHE A 68 -3.829 15.869 1.010 1.00 1.15 C ATOM 0 H PHE A 68 1.256 18.002 4.781 1.00 1.40 H new ATOM 0 HA PHE A 68 -0.344 15.638 5.111 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -1.375 17.691 4.610 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.294 18.017 3.270 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -3.092 15.723 4.301 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -0.922 17.554 1.110 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -4.818 15.029 2.712 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -2.624 16.799 -0.484 1.00 1.57 H new ATOM 0 HZ PHE A 68 -4.588 15.549 0.312 1.00 1.15 H new ATOM 1007 N LEU A 69 1.934 15.549 2.752 1.00 1.15 N ATOM 1008 CA LEU A 69 2.639 14.632 1.824 1.00 1.24 C ATOM 1009 C LEU A 69 3.483 13.627 2.602 1.00 1.42 C ATOM 1010 O LEU A 69 3.648 12.479 2.181 1.00 1.53 O ATOM 1011 CB LEU A 69 3.573 15.346 0.838 1.00 1.51 C ATOM 1012 CG LEU A 69 3.215 16.773 0.447 1.00 1.59 C ATOM 1013 CD1 LEU A 69 4.191 17.724 1.096 1.00 1.82 C ATOM 1014 CD2 LEU A 69 3.244 16.938 -1.060 1.00 1.76 C ATOM 0 H LEU A 69 2.407 16.442 2.893 1.00 1.15 H new ATOM 0 HA LEU A 69 1.848 14.142 1.256 1.00 1.24 H new ATOM 0 HB2 LEU A 69 4.574 15.355 1.268 1.00 1.51 H new ATOM 0 HB3 LEU A 69 3.623 14.749 -0.073 1.00 1.51 H new ATOM 0 HG LEU A 69 2.205 16.996 0.791 1.00 1.59 H new ATOM 0 HD11 LEU A 69 3.940 18.748 0.820 1.00 1.82 H new ATOM 0 HD12 LEU A 69 4.137 17.617 2.179 1.00 1.82 H new ATOM 0 HD13 LEU A 69 5.202 17.495 0.758 1.00 1.82 H new ATOM 0 HD21 LEU A 69 2.985 17.965 -1.319 1.00 1.76 H new ATOM 0 HD22 LEU A 69 4.243 16.711 -1.432 1.00 1.76 H new ATOM 0 HD23 LEU A 69 2.524 16.257 -1.514 1.00 1.76 H new ATOM 1026 N THR A 70 4.039 14.088 3.734 1.00 1.58 N ATOM 1027 CA THR A 70 4.889 13.250 4.602 1.00 1.88 C ATOM 1028 C THR A 70 4.103 12.038 5.110 1.00 1.87 C ATOM 1029 O THR A 70 4.638 10.932 5.220 1.00 2.04 O ATOM 1030 CB THR A 70 5.439 14.051 5.811 1.00 2.19 C ATOM 1031 OG1 THR A 70 5.579 15.437 5.469 1.00 2.14 O ATOM 1032 CG2 THR A 70 6.794 13.511 6.261 1.00 2.80 C ATOM 0 H THR A 70 3.915 15.042 4.073 1.00 1.58 H new ATOM 0 HA THR A 70 5.734 12.913 4.001 1.00 1.88 H new ATOM 0 HB THR A 70 4.726 13.942 6.628 1.00 2.19 H new ATOM 0 HG1 THR A 70 5.955 15.926 6.231 1.00 2.14 H new ATOM 0 HG21 THR A 70 7.154 14.093 7.110 1.00 2.80 H new ATOM 0 HG22 THR A 70 6.690 12.466 6.555 1.00 2.80 H new ATOM 0 HG23 THR A 70 7.507 13.588 5.440 1.00 2.80 H new ATOM 1040 N MET A 71 2.827 12.285 5.412 1.00 1.77 N ATOM 1041 CA MET A 71 1.899 11.254 5.880 1.00 1.91 C ATOM 1042 C MET A 71 1.320 10.448 4.707 1.00 1.83 C ATOM 1043 O MET A 71 0.895 9.305 4.887 1.00 2.06 O ATOM 1044 CB MET A 71 0.767 11.881 6.718 1.00 2.01 C ATOM 1045 CG MET A 71 0.087 13.097 6.089 1.00 2.31 C ATOM 1046 SD MET A 71 -0.875 14.038 7.282 1.00 2.07 S ATOM 1047 CE MET A 71 -2.426 13.153 7.243 1.00 1.57 C ATOM 0 H MET A 71 2.406 13.211 5.338 1.00 1.77 H new ATOM 0 HA MET A 71 2.459 10.566 6.513 1.00 1.91 H new ATOM 0 HB2 MET A 71 0.011 11.119 6.906 1.00 2.01 H new ATOM 0 HB3 MET A 71 1.173 12.173 7.687 1.00 2.01 H new ATOM 0 HG2 MET A 71 0.844 13.744 5.645 1.00 2.31 H new ATOM 0 HG3 MET A 71 -0.565 12.767 5.280 1.00 2.31 H new ATOM 0 HE1 MET A 71 -3.241 13.837 7.481 1.00 1.57 H new ATOM 0 HE2 MET A 71 -2.582 12.735 6.248 1.00 1.57 H new ATOM 0 HE3 MET A 71 -2.403 12.346 7.976 1.00 1.57 H new ATOM 1057 N MET A 72 1.339 11.060 3.504 1.00 1.61 N ATOM 1058 CA MET A 72 0.813 10.450 2.266 1.00 1.69 C ATOM 1059 C MET A 72 1.310 9.014 2.042 1.00 1.97 C ATOM 1060 O MET A 72 0.554 8.166 1.564 1.00 2.17 O ATOM 1061 CB MET A 72 1.173 11.326 1.059 1.00 1.60 C ATOM 1062 CG MET A 72 0.078 12.309 0.673 1.00 1.46 C ATOM 1063 SD MET A 72 -1.437 11.492 0.136 1.00 1.69 S ATOM 1064 CE MET A 72 -2.476 12.906 -0.219 1.00 1.53 C ATOM 0 H MET A 72 1.721 11.995 3.364 1.00 1.61 H new ATOM 0 HA MET A 72 -0.270 10.392 2.378 1.00 1.69 H new ATOM 0 HB2 MET A 72 2.085 11.880 1.281 1.00 1.60 H new ATOM 0 HB3 MET A 72 1.390 10.683 0.206 1.00 1.60 H new ATOM 0 HG2 MET A 72 -0.144 12.952 1.525 1.00 1.46 H new ATOM 0 HG3 MET A 72 0.441 12.954 -0.127 1.00 1.46 H new ATOM 0 HE1 MET A 72 -3.054 12.715 -1.123 1.00 1.53 H new ATOM 0 HE2 MET A 72 -3.155 13.078 0.616 1.00 1.53 H new ATOM 0 HE3 MET A 72 -1.852 13.788 -0.367 1.00 1.53 H new ATOM 1207 N SER A 81 -1.274 -3.091 2.184 1.00 3.49 N ATOM 1208 CA SER A 81 -0.810 -4.302 2.854 1.00 3.36 C ATOM 1209 C SER A 81 -1.138 -5.558 2.042 1.00 2.88 C ATOM 1210 O SER A 81 -0.240 -6.292 1.623 1.00 2.79 O ATOM 1211 CB SER A 81 -1.402 -4.394 4.267 1.00 3.71 C ATOM 1212 OG SER A 81 -1.020 -3.279 5.055 1.00 4.35 O ATOM 0 HA SER A 81 0.275 -4.242 2.935 1.00 3.36 H new ATOM 0 HB2 SER A 81 -2.489 -4.445 4.206 1.00 3.71 H new ATOM 0 HB3 SER A 81 -1.066 -5.314 4.746 1.00 3.71 H new ATOM 0 HG SER A 81 -0.872 -2.503 4.474 1.00 4.35 H new ATOM 1218 N GLU A 82 -2.430 -5.782 1.834 1.00 2.97 N ATOM 1219 CA GLU A 82 -2.941 -6.931 1.062 1.00 3.25 C ATOM 1220 C GLU A 82 -2.986 -6.635 -0.433 1.00 3.85 C ATOM 1221 O GLU A 82 -2.910 -7.539 -1.265 1.00 4.27 O ATOM 1222 CB GLU A 82 -4.339 -7.313 1.542 1.00 3.94 C ATOM 1223 CG GLU A 82 -4.371 -7.945 2.927 1.00 4.12 C ATOM 1224 CD GLU A 82 -5.773 -8.315 3.368 1.00 4.93 C ATOM 1225 OE1 GLU A 82 -6.203 -9.454 3.088 1.00 5.51 O ATOM 1226 OE2 GLU A 82 -6.442 -7.466 3.993 1.00 5.25 O ATOM 0 H GLU A 82 -3.165 -5.173 2.194 1.00 2.97 H new ATOM 0 HA GLU A 82 -2.253 -7.761 1.226 1.00 3.25 H new ATOM 0 HB2 GLU A 82 -4.966 -6.421 1.547 1.00 3.94 H new ATOM 0 HB3 GLU A 82 -4.779 -8.008 0.827 1.00 3.94 H new ATOM 0 HG2 GLU A 82 -3.746 -8.838 2.929 1.00 4.12 H new ATOM 0 HG3 GLU A 82 -3.938 -7.252 3.648 1.00 4.12 H new ATOM 1233 N GLU A 83 -3.142 -5.358 -0.755 1.00 4.18 N ATOM 1234 CA GLU A 83 -3.196 -4.885 -2.150 1.00 5.12 C ATOM 1235 C GLU A 83 -1.880 -5.147 -2.897 1.00 5.33 C ATOM 1236 O GLU A 83 -1.865 -5.197 -4.129 1.00 6.21 O ATOM 1237 CB GLU A 83 -3.536 -3.390 -2.203 1.00 5.53 C ATOM 1238 CG GLU A 83 -4.979 -3.060 -1.830 1.00 5.74 C ATOM 1239 CD GLU A 83 -5.959 -3.315 -2.963 1.00 6.48 C ATOM 1240 OE1 GLU A 83 -6.485 -4.444 -3.051 1.00 6.88 O ATOM 1241 OE2 GLU A 83 -6.198 -2.384 -3.761 1.00 6.89 O ATOM 0 H GLU A 83 -3.236 -4.614 -0.064 1.00 4.18 H new ATOM 0 HA GLU A 83 -3.983 -5.451 -2.648 1.00 5.12 H new ATOM 0 HB2 GLU A 83 -2.867 -2.853 -1.530 1.00 5.53 H new ATOM 0 HB3 GLU A 83 -3.340 -3.020 -3.209 1.00 5.53 H new ATOM 0 HG2 GLU A 83 -5.270 -3.655 -0.965 1.00 5.74 H new ATOM 0 HG3 GLU A 83 -5.041 -2.013 -1.532 1.00 5.74 H new ATOM 1248 N GLU A 84 -0.783 -5.309 -2.136 1.00 4.72 N ATOM 1249 CA GLU A 84 0.545 -5.566 -2.705 1.00 5.16 C ATOM 1250 C GLU A 84 0.756 -7.045 -3.062 1.00 4.87 C ATOM 1251 O GLU A 84 1.453 -7.346 -4.035 1.00 5.53 O ATOM 1252 CB GLU A 84 1.638 -5.107 -1.738 1.00 5.11 C ATOM 1253 CG GLU A 84 1.923 -3.616 -1.799 1.00 5.77 C ATOM 1254 CD GLU A 84 3.182 -3.232 -1.046 1.00 6.38 C ATOM 1255 OE1 GLU A 84 3.076 -2.865 0.143 1.00 6.86 O ATOM 1256 OE2 GLU A 84 4.276 -3.302 -1.645 1.00 6.68 O ATOM 0 H GLU A 84 -0.795 -5.265 -1.117 1.00 4.72 H new ATOM 0 HA GLU A 84 0.607 -4.993 -3.630 1.00 5.16 H new ATOM 0 HB2 GLU A 84 1.345 -5.370 -0.722 1.00 5.11 H new ATOM 0 HB3 GLU A 84 2.556 -5.652 -1.957 1.00 5.11 H new ATOM 0 HG2 GLU A 84 2.020 -3.311 -2.841 1.00 5.77 H new ATOM 0 HG3 GLU A 84 1.075 -3.070 -1.384 1.00 5.77 H new ATOM 1263 N ILE A 85 0.158 -7.966 -2.277 1.00 3.98 N ATOM 1264 CA ILE A 85 0.290 -9.411 -2.532 1.00 3.69 C ATOM 1265 C ILE A 85 -0.463 -9.839 -3.771 1.00 4.63 C ATOM 1266 O ILE A 85 0.117 -10.429 -4.682 1.00 5.03 O ATOM 1267 CB ILE A 85 -0.098 -10.303 -1.315 1.00 2.77 C ATOM 1268 CG1 ILE A 85 -1.419 -9.874 -0.665 1.00 3.16 C ATOM 1269 CG2 ILE A 85 1.003 -10.275 -0.273 1.00 1.99 C ATOM 1270 CD1 ILE A 85 -2.435 -10.989 -0.541 1.00 3.97 C ATOM 0 H ILE A 85 -0.417 -7.734 -1.467 1.00 3.98 H new ATOM 0 HA ILE A 85 1.355 -9.570 -2.703 1.00 3.69 H new ATOM 0 HB ILE A 85 -0.230 -11.315 -1.698 1.00 2.77 H new ATOM 0 HG12 ILE A 85 -1.211 -9.474 0.327 1.00 3.16 H new ATOM 0 HG13 ILE A 85 -1.854 -9.064 -1.250 1.00 3.16 H new ATOM 0 HG21 ILE A 85 0.720 -10.902 0.572 1.00 1.99 H new ATOM 0 HG22 ILE A 85 1.928 -10.651 -0.710 1.00 1.99 H new ATOM 0 HG23 ILE A 85 1.154 -9.251 0.069 1.00 1.99 H new ATOM 0 HD11 ILE A 85 -3.341 -10.605 -0.072 1.00 3.97 H new ATOM 0 HD12 ILE A 85 -2.675 -11.375 -1.532 1.00 3.97 H new ATOM 0 HD13 ILE A 85 -2.022 -11.791 0.070 1.00 3.97 H new ATOM 1282 N ARG A 86 -1.742 -9.505 -3.817 1.00 5.19 N ATOM 1283 CA ARG A 86 -2.580 -9.803 -4.983 1.00 6.32 C ATOM 1284 C ARG A 86 -1.988 -9.170 -6.227 1.00 7.11 C ATOM 1285 O ARG A 86 -2.241 -9.612 -7.352 1.00 7.98 O ATOM 1286 CB ARG A 86 -3.962 -9.207 -4.824 1.00 6.99 C ATOM 1287 CG ARG A 86 -5.076 -10.239 -4.768 1.00 7.36 C ATOM 1288 CD ARG A 86 -6.434 -9.584 -4.573 1.00 8.25 C ATOM 1289 NE ARG A 86 -7.517 -10.571 -4.516 1.00 8.76 N ATOM 1290 CZ ARG A 86 -8.800 -10.284 -4.252 1.00 9.65 C ATOM 1291 NH1 ARG A 86 -9.190 -9.033 -4.013 1.00 10.08 N ATOM 1292 NH2 ARG A 86 -9.697 -11.260 -4.227 1.00 10.26 N ATOM 0 H ARG A 86 -2.231 -9.025 -3.061 1.00 5.19 H new ATOM 0 HA ARG A 86 -2.632 -10.888 -5.068 1.00 6.32 H new ATOM 0 HB2 ARG A 86 -3.987 -8.610 -3.912 1.00 6.99 H new ATOM 0 HB3 ARG A 86 -4.151 -8.527 -5.655 1.00 6.99 H new ATOM 0 HG2 ARG A 86 -5.081 -10.821 -5.690 1.00 7.36 H new ATOM 0 HG3 ARG A 86 -4.887 -10.936 -3.952 1.00 7.36 H new ATOM 0 HD2 ARG A 86 -6.426 -9.001 -3.652 1.00 8.25 H new ATOM 0 HD3 ARG A 86 -6.621 -8.887 -5.390 1.00 8.25 H new ATOM 0 HE ARG A 86 -7.277 -11.547 -4.690 1.00 8.76 H new ATOM 0 HH11 ARG A 86 -8.508 -8.274 -4.029 1.00 10.08 H new ATOM 0 HH12 ARG A 86 -10.170 -8.834 -3.814 1.00 10.08 H new ATOM 0 HH21 ARG A 86 -9.409 -12.222 -4.408 1.00 10.26 H new ATOM 0 HH22 ARG A 86 -10.675 -11.049 -4.027 1.00 10.26 H new ATOM 1306 N GLU A 87 -1.192 -8.122 -5.990 1.00 6.95 N ATOM 1307 CA GLU A 87 -0.592 -7.367 -7.069 1.00 7.91 C ATOM 1308 C GLU A 87 0.727 -7.994 -7.526 1.00 7.97 C ATOM 1309 O GLU A 87 1.066 -7.983 -8.712 1.00 8.94 O ATOM 1310 CB GLU A 87 -0.377 -5.907 -6.655 1.00 8.02 C ATOM 1311 CG GLU A 87 -0.496 -4.912 -7.804 1.00 8.75 C ATOM 1312 CD GLU A 87 -0.277 -3.479 -7.359 1.00 9.11 C ATOM 1313 OE1 GLU A 87 0.883 -3.019 -7.390 1.00 9.62 O ATOM 1314 OE2 GLU A 87 -1.267 -2.818 -6.980 1.00 9.05 O ATOM 0 H GLU A 87 -0.955 -7.786 -5.057 1.00 6.95 H new ATOM 0 HA GLU A 87 -1.283 -7.392 -7.912 1.00 7.91 H new ATOM 0 HB2 GLU A 87 -1.105 -5.647 -5.886 1.00 8.02 H new ATOM 0 HB3 GLU A 87 0.611 -5.810 -6.205 1.00 8.02 H new ATOM 0 HG2 GLU A 87 0.232 -5.164 -8.575 1.00 8.75 H new ATOM 0 HG3 GLU A 87 -1.484 -5.001 -8.256 1.00 8.75 H new ATOM 1321 N ALA A 88 1.448 -8.539 -6.545 1.00 7.00 N ATOM 1322 CA ALA A 88 2.755 -9.165 -6.754 1.00 7.06 C ATOM 1323 C ALA A 88 2.640 -10.596 -7.276 1.00 7.01 C ATOM 1324 O ALA A 88 3.335 -10.986 -8.210 1.00 7.73 O ATOM 1325 CB ALA A 88 3.536 -9.159 -5.465 1.00 6.21 C ATOM 0 H ALA A 88 1.138 -8.559 -5.573 1.00 7.00 H new ATOM 0 HA ALA A 88 3.275 -8.581 -7.513 1.00 7.06 H new ATOM 0 HB1 ALA A 88 4.508 -9.626 -5.626 1.00 6.21 H new ATOM 0 HB2 ALA A 88 3.678 -8.131 -5.131 1.00 6.21 H new ATOM 0 HB3 ALA A 88 2.988 -9.715 -4.705 1.00 6.21 H new ATOM 1331 N PHE A 89 1.807 -11.395 -6.614 1.00 6.21 N ATOM 1332 CA PHE A 89 1.538 -12.782 -7.013 1.00 6.21 C ATOM 1333 C PHE A 89 1.093 -12.920 -8.476 1.00 7.49 C ATOM 1334 O PHE A 89 1.153 -14.011 -9.043 1.00 7.70 O ATOM 1335 CB PHE A 89 0.520 -13.379 -6.050 1.00 5.56 C ATOM 1336 CG PHE A 89 1.158 -13.694 -4.744 1.00 4.24 C ATOM 1337 CD1 PHE A 89 1.649 -14.955 -4.513 1.00 3.84 C ATOM 1338 CD2 PHE A 89 1.328 -12.714 -3.771 1.00 3.79 C ATOM 1339 CE1 PHE A 89 2.291 -15.247 -3.353 1.00 2.77 C ATOM 1340 CE2 PHE A 89 1.960 -13.004 -2.599 1.00 2.72 C ATOM 1341 CZ PHE A 89 2.447 -14.281 -2.391 1.00 1.93 C ATOM 0 H PHE A 89 1.295 -11.101 -5.782 1.00 6.21 H new ATOM 0 HA PHE A 89 2.472 -13.340 -6.954 1.00 6.21 H new ATOM 0 HB2 PHE A 89 -0.301 -12.678 -5.900 1.00 5.56 H new ATOM 0 HB3 PHE A 89 0.092 -14.285 -6.480 1.00 5.56 H new ATOM 0 HD1 PHE A 89 1.523 -15.723 -5.262 1.00 3.84 H new ATOM 0 HD2 PHE A 89 0.956 -11.715 -3.946 1.00 3.79 H new ATOM 0 HE1 PHE A 89 2.679 -16.241 -3.187 1.00 2.77 H new ATOM 0 HE2 PHE A 89 2.079 -12.244 -1.841 1.00 2.72 H new ATOM 0 HZ PHE A 89 2.953 -14.519 -1.467 1.00 1.93 H new ATOM 1351 N ARG A 90 0.647 -11.810 -9.073 1.00 8.36 N ATOM 1352 CA ARG A 90 0.243 -11.791 -10.480 1.00 9.63 C ATOM 1353 C ARG A 90 1.477 -11.665 -11.390 1.00 10.20 C ATOM 1354 O ARG A 90 1.375 -11.829 -12.610 1.00 11.20 O ATOM 1355 CB ARG A 90 -0.729 -10.634 -10.746 1.00 10.38 C ATOM 1356 CG ARG A 90 -2.122 -10.855 -10.169 1.00 10.73 C ATOM 1357 CD ARG A 90 -3.045 -9.677 -10.454 1.00 11.51 C ATOM 1358 NE ARG A 90 -3.475 -9.631 -11.858 1.00 12.01 N ATOM 1359 CZ ARG A 90 -4.394 -8.786 -12.348 1.00 12.77 C ATOM 1360 NH1 ARG A 90 -5.003 -7.899 -11.563 1.00 13.10 N ATOM 1361 NH2 ARG A 90 -4.705 -8.833 -13.636 1.00 13.29 N ATOM 0 H ARG A 90 0.557 -10.911 -8.600 1.00 8.36 H new ATOM 0 HA ARG A 90 -0.264 -12.730 -10.704 1.00 9.63 H new ATOM 0 HB2 ARG A 90 -0.313 -9.718 -10.325 1.00 10.38 H new ATOM 0 HB3 ARG A 90 -0.812 -10.482 -11.822 1.00 10.38 H new ATOM 0 HG2 ARG A 90 -2.551 -11.764 -10.592 1.00 10.73 H new ATOM 0 HG3 ARG A 90 -2.050 -11.008 -9.092 1.00 10.73 H new ATOM 0 HD2 ARG A 90 -3.922 -9.742 -9.810 1.00 11.51 H new ATOM 0 HD3 ARG A 90 -2.533 -8.748 -10.203 1.00 11.51 H new ATOM 0 HE ARG A 90 -3.044 -10.289 -12.507 1.00 12.01 H new ATOM 0 HH11 ARG A 90 -4.773 -7.854 -10.570 1.00 13.10 H new ATOM 0 HH12 ARG A 90 -5.699 -7.265 -11.955 1.00 13.10 H new ATOM 0 HH21 ARG A 90 -4.246 -9.509 -14.247 1.00 13.29 H new ATOM 0 HH22 ARG A 90 -5.403 -8.193 -14.016 1.00 13.29 H new ATOM 1375 N VAL A 91 2.642 -11.374 -10.776 1.00 9.66 N ATOM 1376 CA VAL A 91 3.891 -11.224 -11.480 1.00 10.29 C ATOM 1377 C VAL A 91 4.749 -12.482 -11.376 1.00 9.81 C ATOM 1378 O VAL A 91 5.295 -12.963 -12.374 1.00 10.52 O ATOM 1379 CB VAL A 91 4.737 -10.057 -10.933 1.00 10.33 C ATOM 1380 CG1 VAL A 91 5.391 -9.270 -12.061 1.00 11.64 C ATOM 1381 CG2 VAL A 91 3.959 -9.133 -10.008 1.00 9.85 C ATOM 0 H VAL A 91 2.722 -11.239 -9.768 1.00 9.66 H new ATOM 0 HA VAL A 91 3.613 -11.029 -12.516 1.00 10.29 H new ATOM 0 HB VAL A 91 5.520 -10.513 -10.328 1.00 10.33 H new ATOM 0 HG11 VAL A 91 5.980 -8.454 -11.642 1.00 11.64 H new ATOM 0 HG12 VAL A 91 6.042 -9.930 -12.635 1.00 11.64 H new ATOM 0 HG13 VAL A 91 4.620 -8.862 -12.715 1.00 11.64 H new ATOM 0 HG21 VAL A 91 4.612 -8.334 -9.658 1.00 9.85 H new ATOM 0 HG22 VAL A 91 3.116 -8.702 -10.549 1.00 9.85 H new ATOM 0 HG23 VAL A 91 3.590 -9.700 -9.153 1.00 9.85 H new ATOM 1391 N PHE A 92 4.851 -12.997 -10.151 1.00 8.63 N ATOM 1392 CA PHE A 92 5.688 -14.167 -9.850 1.00 8.08 C ATOM 1393 C PHE A 92 4.948 -15.496 -9.950 1.00 7.58 C ATOM 1394 O PHE A 92 5.564 -16.516 -10.267 1.00 7.57 O ATOM 1395 CB PHE A 92 6.222 -14.075 -8.424 1.00 7.14 C ATOM 1396 CG PHE A 92 6.900 -12.785 -8.055 1.00 7.60 C ATOM 1397 CD1 PHE A 92 8.275 -12.662 -8.146 1.00 7.95 C ATOM 1398 CD2 PHE A 92 6.164 -11.718 -7.560 1.00 7.88 C ATOM 1399 CE1 PHE A 92 8.906 -11.501 -7.751 1.00 8.45 C ATOM 1400 CE2 PHE A 92 6.787 -10.557 -7.168 1.00 8.39 C ATOM 1401 CZ PHE A 92 8.162 -10.446 -7.258 1.00 8.62 C ATOM 0 H PHE A 92 4.360 -12.620 -9.340 1.00 8.63 H new ATOM 0 HA PHE A 92 6.481 -14.150 -10.598 1.00 8.08 H new ATOM 0 HB2 PHE A 92 5.392 -14.236 -7.736 1.00 7.14 H new ATOM 0 HB3 PHE A 92 6.928 -14.891 -8.268 1.00 7.14 H new ATOM 0 HD1 PHE A 92 8.861 -13.484 -8.530 1.00 7.95 H new ATOM 0 HD2 PHE A 92 5.090 -11.801 -7.482 1.00 7.88 H new ATOM 0 HE1 PHE A 92 9.980 -11.416 -7.827 1.00 8.45 H new ATOM 0 HE2 PHE A 92 6.202 -9.732 -6.790 1.00 8.39 H new ATOM 0 HZ PHE A 92 8.653 -9.537 -6.944 1.00 8.62 H new ATOM 1411 N ALA A 93 3.643 -15.486 -9.685 1.00 7.32 N ATOM 1412 CA ALA A 93 2.847 -16.707 -9.739 1.00 7.11 C ATOM 1413 C ALA A 93 2.070 -16.783 -11.059 1.00 8.33 C ATOM 1414 O ALA A 93 1.901 -15.763 -11.735 1.00 8.83 O ATOM 1415 CB ALA A 93 1.949 -16.810 -8.500 1.00 6.22 C ATOM 0 H ALA A 93 3.118 -14.649 -9.432 1.00 7.32 H new ATOM 0 HA ALA A 93 3.506 -17.575 -9.720 1.00 7.11 H new ATOM 0 HB1 ALA A 93 1.360 -17.726 -8.553 1.00 6.22 H new ATOM 0 HB2 ALA A 93 2.568 -16.827 -7.603 1.00 6.22 H new ATOM 0 HB3 ALA A 93 1.280 -15.950 -8.463 1.00 6.22 H new ATOM 1421 N LYS A 94 1.618 -18.007 -11.424 1.00 8.92 N ATOM 1422 CA LYS A 94 0.878 -18.288 -12.688 1.00 10.13 C ATOM 1423 C LYS A 94 1.849 -18.418 -13.880 1.00 10.64 C ATOM 1424 O LYS A 94 1.650 -17.803 -14.937 1.00 11.32 O ATOM 1425 CB LYS A 94 -0.204 -17.218 -12.991 1.00 10.90 C ATOM 1426 CG LYS A 94 -1.655 -17.729 -12.955 1.00 11.36 C ATOM 1427 CD LYS A 94 -2.115 -18.236 -11.573 1.00 11.16 C ATOM 1428 CE LYS A 94 -2.047 -17.169 -10.479 1.00 10.61 C ATOM 1429 NZ LYS A 94 -2.914 -15.990 -10.770 1.00 11.01 N ATOM 0 H LYS A 94 1.756 -18.837 -10.848 1.00 8.92 H new ATOM 0 HA LYS A 94 0.365 -19.239 -12.544 1.00 10.13 H new ATOM 0 HB2 LYS A 94 -0.103 -16.407 -12.270 1.00 10.90 H new ATOM 0 HB3 LYS A 94 -0.009 -16.795 -13.976 1.00 10.90 H new ATOM 0 HG2 LYS A 94 -2.319 -16.925 -13.274 1.00 11.36 H new ATOM 0 HG3 LYS A 94 -1.762 -18.537 -13.679 1.00 11.36 H new ATOM 0 HD2 LYS A 94 -3.139 -18.601 -11.651 1.00 11.16 H new ATOM 0 HD3 LYS A 94 -1.496 -19.084 -11.281 1.00 11.16 H new ATOM 0 HE2 LYS A 94 -2.347 -17.610 -9.528 1.00 10.61 H new ATOM 0 HE3 LYS A 94 -1.015 -16.837 -10.365 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 -2.870 -15.322 -9.974 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 -2.582 -15.520 -11.636 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 -3.896 -16.306 -10.903 1.00 11.01 H new ATOM 1443 N ASP A 95 2.898 -19.235 -13.701 1.00 10.41 N ATOM 1444 CA ASP A 95 3.911 -19.440 -14.734 1.00 10.95 C ATOM 1445 C ASP A 95 3.781 -20.787 -15.456 1.00 11.36 C ATOM 1446 O ASP A 95 4.733 -21.267 -16.086 1.00 11.72 O ATOM 1447 CB ASP A 95 5.318 -19.258 -14.150 1.00 10.75 C ATOM 1448 CG ASP A 95 5.640 -17.806 -13.847 1.00 10.79 C ATOM 1449 OD1 ASP A 95 6.304 -17.158 -14.683 1.00 11.08 O ATOM 1450 OD2 ASP A 95 5.225 -17.318 -12.775 1.00 10.72 O ATOM 0 H ASP A 95 3.063 -19.764 -12.845 1.00 10.41 H new ATOM 0 HA ASP A 95 3.740 -18.677 -15.494 1.00 10.95 H new ATOM 0 HB2 ASP A 95 5.407 -19.845 -13.236 1.00 10.75 H new ATOM 0 HB3 ASP A 95 6.053 -19.650 -14.853 1.00 10.75 H new ATOM 1455 N GLY A 96 2.593 -21.368 -15.379 1.00 11.41 N ATOM 1456 CA GLY A 96 2.331 -22.654 -16.024 1.00 11.89 C ATOM 1457 C GLY A 96 2.013 -23.764 -15.052 1.00 11.67 C ATOM 1458 O GLY A 96 2.133 -23.588 -13.836 1.00 11.82 O ATOM 0 H GLY A 96 1.796 -20.974 -14.879 1.00 11.41 H new ATOM 0 HA2 GLY A 96 1.498 -22.540 -16.718 1.00 11.89 H new ATOM 0 HA3 GLY A 96 3.201 -22.938 -16.615 1.00 11.89 H new ATOM 1462 N ASN A 97 1.619 -24.935 -15.616 1.00 11.48 N ATOM 1463 CA ASN A 97 1.272 -26.160 -14.857 1.00 11.39 C ATOM 1464 C ASN A 97 0.025 -26.009 -13.974 1.00 11.24 C ATOM 1465 O ASN A 97 -0.703 -26.975 -13.727 1.00 11.69 O ATOM 1466 CB ASN A 97 2.472 -26.573 -14.030 1.00 10.47 C ATOM 1467 CG ASN A 97 2.692 -28.073 -14.019 1.00 10.82 C ATOM 1468 OD1 ASN A 97 2.105 -28.793 -13.213 1.00 11.12 O ATOM 1469 ND2 ASN A 97 3.544 -28.552 -14.918 1.00 10.95 N ATOM 0 H ASN A 97 1.533 -25.054 -16.625 1.00 11.48 H new ATOM 0 HA ASN A 97 1.018 -26.935 -15.580 1.00 11.39 H new ATOM 0 HB2 ASN A 97 3.363 -26.083 -14.422 1.00 10.47 H new ATOM 0 HB3 ASN A 97 2.340 -26.223 -13.006 1.00 10.47 H new ATOM 0 HD21 ASN A 97 3.733 -29.553 -14.959 1.00 10.95 H new ATOM 0 HD22 ASN A 97 4.009 -27.918 -15.568 1.00 10.95 H new ATOM 1476 N GLY A 98 -0.185 -24.789 -13.520 1.00 10.71 N ATOM 1477 CA GLY A 98 -1.317 -24.429 -12.682 1.00 10.57 C ATOM 1478 C GLY A 98 -0.926 -24.119 -11.246 1.00 9.35 C ATOM 1479 O GLY A 98 -1.725 -23.546 -10.513 1.00 9.23 O ATOM 0 H GLY A 98 0.435 -24.006 -13.725 1.00 10.71 H new ATOM 0 HA2 GLY A 98 -1.816 -23.560 -13.111 1.00 10.57 H new ATOM 0 HA3 GLY A 98 -2.038 -25.246 -12.687 1.00 10.57 H new ATOM 1483 N TYR A 99 0.286 -24.512 -10.837 1.00 8.53 N ATOM 1484 CA TYR A 99 0.798 -24.195 -9.513 1.00 7.35 C ATOM 1485 C TYR A 99 2.214 -23.620 -9.630 1.00 6.60 C ATOM 1486 O TYR A 99 3.058 -24.206 -10.315 1.00 6.68 O ATOM 1487 CB TYR A 99 0.734 -25.405 -8.541 1.00 7.03 C ATOM 1488 CG TYR A 99 1.640 -26.598 -8.831 1.00 7.42 C ATOM 1489 CD1 TYR A 99 2.375 -27.180 -7.797 1.00 7.29 C ATOM 1490 CD2 TYR A 99 1.751 -27.153 -10.104 1.00 8.16 C ATOM 1491 CE1 TYR A 99 3.189 -28.272 -8.029 1.00 7.85 C ATOM 1492 CE2 TYR A 99 2.567 -28.243 -10.339 1.00 8.71 C ATOM 1493 CZ TYR A 99 3.282 -28.798 -9.299 1.00 8.53 C ATOM 1494 OH TYR A 99 4.092 -29.886 -9.531 1.00 9.21 O ATOM 0 H TYR A 99 0.929 -25.054 -11.414 1.00 8.53 H new ATOM 0 HA TYR A 99 0.151 -23.437 -9.073 1.00 7.35 H new ATOM 0 HB2 TYR A 99 0.967 -25.043 -7.540 1.00 7.03 H new ATOM 0 HB3 TYR A 99 -0.295 -25.763 -8.519 1.00 7.03 H new ATOM 0 HD1 TYR A 99 2.306 -26.770 -6.800 1.00 7.29 H new ATOM 0 HD2 TYR A 99 1.190 -26.724 -10.921 1.00 8.16 H new ATOM 0 HE1 TYR A 99 3.750 -28.712 -7.218 1.00 7.85 H new ATOM 0 HE2 TYR A 99 2.644 -28.658 -11.333 1.00 8.71 H new ATOM 0 HH TYR A 99 3.776 -30.648 -9.002 1.00 9.21 H new ATOM 1504 N ILE A 100 2.474 -22.486 -8.970 1.00 6.19 N ATOM 1505 CA ILE A 100 3.804 -21.855 -9.015 1.00 5.73 C ATOM 1506 C ILE A 100 4.719 -22.433 -7.926 1.00 4.64 C ATOM 1507 O ILE A 100 4.248 -22.802 -6.850 1.00 4.17 O ATOM 1508 CB ILE A 100 3.717 -20.293 -8.888 1.00 5.84 C ATOM 1509 CG1 ILE A 100 5.085 -19.629 -9.160 1.00 5.96 C ATOM 1510 CG2 ILE A 100 3.181 -19.864 -7.518 1.00 5.70 C ATOM 1511 CD1 ILE A 100 5.434 -19.509 -10.632 1.00 6.65 C ATOM 0 H ILE A 100 1.789 -21.987 -8.402 1.00 6.19 H new ATOM 0 HA ILE A 100 4.235 -22.081 -9.990 1.00 5.73 H new ATOM 0 HB ILE A 100 3.013 -19.953 -9.647 1.00 5.84 H new ATOM 0 HG12 ILE A 100 5.089 -18.634 -8.714 1.00 5.96 H new ATOM 0 HG13 ILE A 100 5.863 -20.206 -8.659 1.00 5.96 H new ATOM 0 HG21 ILE A 100 3.136 -18.776 -7.469 1.00 5.70 H new ATOM 0 HG22 ILE A 100 2.182 -20.276 -7.373 1.00 5.70 H new ATOM 0 HG23 ILE A 100 3.843 -20.235 -6.736 1.00 5.70 H new ATOM 0 HD11 ILE A 100 6.409 -19.033 -10.737 1.00 6.65 H new ATOM 0 HD12 ILE A 100 5.465 -20.502 -11.081 1.00 6.65 H new ATOM 0 HD13 ILE A 100 4.679 -18.906 -11.137 1.00 6.65 H new ATOM 1523 N SER A 101 6.030 -22.479 -8.202 1.00 4.56 N ATOM 1524 CA SER A 101 6.985 -23.007 -7.239 1.00 3.87 C ATOM 1525 C SER A 101 7.105 -22.113 -6.018 1.00 3.18 C ATOM 1526 O SER A 101 7.151 -20.884 -6.123 1.00 3.33 O ATOM 1527 CB SER A 101 8.357 -23.236 -7.868 1.00 4.59 C ATOM 1528 OG SER A 101 8.948 -22.020 -8.303 1.00 5.48 O ATOM 0 H SER A 101 6.443 -22.158 -9.078 1.00 4.56 H new ATOM 0 HA SER A 101 6.598 -23.973 -6.914 1.00 3.87 H new ATOM 0 HB2 SER A 101 9.012 -23.720 -7.144 1.00 4.59 H new ATOM 0 HB3 SER A 101 8.260 -23.916 -8.714 1.00 4.59 H new ATOM 0 HG SER A 101 9.825 -22.206 -8.698 1.00 5.48 H new ATOM 1534 N ALA A 102 7.155 -22.769 -4.862 1.00 2.74 N ATOM 1535 CA ALA A 102 7.273 -22.093 -3.553 1.00 2.63 C ATOM 1536 C ALA A 102 8.513 -21.189 -3.424 1.00 3.39 C ATOM 1537 O ALA A 102 8.565 -20.336 -2.534 1.00 3.61 O ATOM 1538 CB ALA A 102 7.280 -23.126 -2.444 1.00 3.06 C ATOM 0 H ALA A 102 7.115 -23.786 -4.796 1.00 2.74 H new ATOM 0 HA ALA A 102 6.406 -21.438 -3.470 1.00 2.63 H new ATOM 0 HB1 ALA A 102 7.367 -22.624 -1.480 1.00 3.06 H new ATOM 0 HB2 ALA A 102 6.352 -23.697 -2.473 1.00 3.06 H new ATOM 0 HB3 ALA A 102 8.126 -23.800 -2.580 1.00 3.06 H new ATOM 1544 N ALA A 103 9.497 -21.379 -4.316 1.00 4.09 N ATOM 1545 CA ALA A 103 10.748 -20.601 -4.306 1.00 5.20 C ATOM 1546 C ALA A 103 10.553 -19.118 -4.668 1.00 5.47 C ATOM 1547 O ALA A 103 11.414 -18.290 -4.355 1.00 6.33 O ATOM 1548 CB ALA A 103 11.756 -21.236 -5.252 1.00 5.96 C ATOM 0 H ALA A 103 9.450 -22.073 -5.062 1.00 4.09 H new ATOM 0 HA ALA A 103 11.120 -20.623 -3.281 1.00 5.20 H new ATOM 0 HB1 ALA A 103 12.680 -20.657 -5.241 1.00 5.96 H new ATOM 0 HB2 ALA A 103 11.964 -22.257 -4.931 1.00 5.96 H new ATOM 0 HB3 ALA A 103 11.348 -21.250 -6.263 1.00 5.96 H new ATOM 1554 N GLU A 104 9.427 -18.790 -5.322 1.00 4.91 N ATOM 1555 CA GLU A 104 9.137 -17.406 -5.739 1.00 5.33 C ATOM 1556 C GLU A 104 8.549 -16.560 -4.601 1.00 4.76 C ATOM 1557 O GLU A 104 8.888 -15.385 -4.472 1.00 5.38 O ATOM 1558 CB GLU A 104 8.182 -17.386 -6.939 1.00 5.44 C ATOM 1559 CG GLU A 104 8.784 -17.927 -8.234 1.00 6.31 C ATOM 1560 CD GLU A 104 9.679 -16.921 -8.939 1.00 6.92 C ATOM 1561 OE1 GLU A 104 9.161 -16.150 -9.774 1.00 7.26 O ATOM 1562 OE2 GLU A 104 10.895 -16.906 -8.654 1.00 7.37 O ATOM 0 H GLU A 104 8.703 -19.463 -5.574 1.00 4.91 H new ATOM 0 HA GLU A 104 10.092 -16.964 -6.024 1.00 5.33 H new ATOM 0 HB2 GLU A 104 7.296 -17.971 -6.692 1.00 5.44 H new ATOM 0 HB3 GLU A 104 7.851 -16.361 -7.107 1.00 5.44 H new ATOM 0 HG2 GLU A 104 9.360 -18.825 -8.013 1.00 6.31 H new ATOM 0 HG3 GLU A 104 7.979 -18.223 -8.907 1.00 6.31 H new ATOM 1569 N LEU A 105 7.642 -17.161 -3.806 1.00 3.64 N ATOM 1570 CA LEU A 105 6.984 -16.505 -2.654 1.00 3.09 C ATOM 1571 C LEU A 105 7.908 -15.702 -1.776 1.00 4.03 C ATOM 1572 O LEU A 105 7.574 -14.588 -1.368 1.00 4.13 O ATOM 1573 CB LEU A 105 6.337 -17.552 -1.754 1.00 2.35 C ATOM 1574 CG LEU A 105 5.491 -18.622 -2.456 1.00 1.65 C ATOM 1575 CD1 LEU A 105 5.315 -19.835 -1.564 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.148 -18.045 -2.867 1.00 1.38 C ATOM 0 H LEU A 105 7.341 -18.126 -3.945 1.00 3.64 H new ATOM 0 HA LEU A 105 6.261 -15.824 -3.104 1.00 3.09 H new ATOM 0 HB2 LEU A 105 7.125 -18.053 -1.191 1.00 2.35 H new ATOM 0 HB3 LEU A 105 5.706 -17.037 -1.030 1.00 2.35 H new ATOM 0 HG LEU A 105 6.013 -18.944 -3.357 1.00 1.65 H new ATOM 0 HD11 LEU A 105 4.712 -20.582 -2.080 1.00 2.00 H new ATOM 0 HD12 LEU A 105 6.292 -20.257 -1.327 1.00 2.00 H new ATOM 0 HD13 LEU A 105 4.815 -19.539 -0.642 1.00 2.00 H new ATOM 0 HD21 LEU A 105 3.558 -18.815 -3.364 1.00 1.38 H new ATOM 0 HD22 LEU A 105 3.616 -17.695 -1.982 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.304 -17.210 -3.550 1.00 1.38 H new ATOM 1588 N ARG A 106 9.055 -16.283 -1.471 1.00 4.83 N ATOM 1589 CA ARG A 106 10.033 -15.635 -0.611 1.00 5.95 C ATOM 1590 C ARG A 106 10.549 -14.368 -1.262 1.00 6.65 C ATOM 1591 O ARG A 106 11.058 -13.476 -0.600 1.00 7.39 O ATOM 1592 CB ARG A 106 11.209 -16.560 -0.282 1.00 6.81 C ATOM 1593 CG ARG A 106 10.825 -17.907 0.335 1.00 6.46 C ATOM 1594 CD ARG A 106 10.590 -18.963 -0.725 1.00 5.99 C ATOM 1595 NE ARG A 106 10.513 -20.313 -0.153 1.00 6.40 N ATOM 1596 CZ ARG A 106 11.261 -21.355 -0.545 1.00 6.89 C ATOM 1597 NH1 ARG A 106 12.164 -21.233 -1.517 1.00 7.08 N ATOM 1598 NH2 ARG A 106 11.102 -22.532 0.045 1.00 7.37 N ATOM 0 H ARG A 106 9.334 -17.205 -1.807 1.00 4.83 H new ATOM 0 HA ARG A 106 9.528 -15.388 0.323 1.00 5.95 H new ATOM 0 HB2 ARG A 106 11.772 -16.745 -1.197 1.00 6.81 H new ATOM 0 HB3 ARG A 106 11.878 -16.041 0.405 1.00 6.81 H new ATOM 0 HG2 ARG A 106 11.616 -18.237 1.008 1.00 6.46 H new ATOM 0 HG3 ARG A 106 9.924 -17.788 0.936 1.00 6.46 H new ATOM 0 HD2 ARG A 106 9.665 -18.742 -1.257 1.00 5.99 H new ATOM 0 HD3 ARG A 106 11.396 -18.926 -1.458 1.00 5.99 H new ATOM 0 HE ARG A 106 9.841 -20.470 0.598 1.00 6.40 H new ATOM 0 HH11 ARG A 106 12.297 -20.334 -1.979 1.00 7.08 H new ATOM 0 HH12 ARG A 106 12.722 -22.039 -1.799 1.00 7.08 H new ATOM 0 HH21 ARG A 106 10.415 -22.640 0.791 1.00 7.37 H new ATOM 0 HH22 ARG A 106 11.667 -23.329 -0.247 1.00 7.37 H new ATOM 1612 N HIS A 107 10.451 -14.353 -2.578 1.00 6.60 N ATOM 1613 CA HIS A 107 10.805 -13.208 -3.379 1.00 7.43 C ATOM 1614 C HIS A 107 9.576 -12.307 -3.557 1.00 6.90 C ATOM 1615 O HIS A 107 9.719 -11.133 -3.896 1.00 7.61 O ATOM 1616 CB HIS A 107 11.352 -13.638 -4.745 1.00 8.00 C ATOM 1617 CG HIS A 107 12.698 -14.293 -4.678 1.00 8.87 C ATOM 1618 ND1 HIS A 107 13.872 -13.632 -4.973 1.00 9.79 N ATOM 1619 CD2 HIS A 107 13.053 -15.558 -4.349 1.00 9.07 C ATOM 1620 CE1 HIS A 107 14.891 -14.462 -4.829 1.00 10.41 C ATOM 1621 NE2 HIS A 107 14.420 -15.635 -4.451 1.00 10.03 N ATOM 0 H HIS A 107 10.118 -15.149 -3.123 1.00 6.60 H new ATOM 0 HA HIS A 107 11.590 -12.653 -2.865 1.00 7.43 H new ATOM 0 HB2 HIS A 107 10.646 -14.327 -5.208 1.00 8.00 H new ATOM 0 HB3 HIS A 107 11.416 -12.763 -5.392 1.00 8.00 H new ATOM 0 HD2 HIS A 107 12.386 -16.357 -4.060 1.00 9.07 H new ATOM 0 HE1 HIS A 107 15.931 -14.221 -4.993 1.00 10.41 H new ATOM 0 HE2 HIS A 107 14.981 -16.466 -4.264 1.00 10.03 H new ATOM 1630 N VAL A 108 8.361 -12.877 -3.331 1.00 5.69 N ATOM 1631 CA VAL A 108 7.111 -12.129 -3.465 1.00 5.20 C ATOM 1632 C VAL A 108 6.744 -11.380 -2.198 1.00 4.84 C ATOM 1633 O VAL A 108 6.647 -10.151 -2.208 1.00 5.36 O ATOM 1634 CB VAL A 108 5.926 -13.065 -3.855 1.00 4.27 C ATOM 1635 CG1 VAL A 108 4.652 -12.273 -4.094 1.00 4.16 C ATOM 1636 CG2 VAL A 108 6.254 -13.945 -5.047 1.00 4.80 C ATOM 0 H VAL A 108 8.236 -13.851 -3.056 1.00 5.69 H new ATOM 0 HA VAL A 108 7.284 -11.404 -4.260 1.00 5.20 H new ATOM 0 HB VAL A 108 5.758 -13.728 -3.007 1.00 4.27 H new ATOM 0 HG11 VAL A 108 3.845 -12.954 -4.364 1.00 4.16 H new ATOM 0 HG12 VAL A 108 4.383 -11.734 -3.186 1.00 4.16 H new ATOM 0 HG13 VAL A 108 4.812 -11.562 -4.904 1.00 4.16 H new ATOM 0 HG21 VAL A 108 5.397 -14.578 -5.279 1.00 4.80 H new ATOM 0 HG22 VAL A 108 6.486 -13.319 -5.908 1.00 4.80 H new ATOM 0 HG23 VAL A 108 7.114 -14.571 -4.811 1.00 4.80 H new ATOM 1646 N MET A 109 6.482 -12.132 -1.137 1.00 4.11 N ATOM 1647 CA MET A 109 6.166 -11.548 0.165 1.00 4.08 C ATOM 1648 C MET A 109 7.263 -10.575 0.566 1.00 5.33 C ATOM 1649 O MET A 109 6.979 -9.503 1.110 1.00 5.53 O ATOM 1650 CB MET A 109 5.957 -12.632 1.209 1.00 3.81 C ATOM 1651 CG MET A 109 4.547 -13.218 1.151 1.00 2.70 C ATOM 1652 SD MET A 109 4.165 -14.296 2.540 1.00 3.27 S ATOM 1653 CE MET A 109 5.124 -15.737 2.106 1.00 3.46 C ATOM 0 H MET A 109 6.482 -13.152 -1.150 1.00 4.11 H new ATOM 0 HA MET A 109 5.230 -10.995 0.095 1.00 4.08 H new ATOM 0 HB2 MET A 109 6.687 -13.427 1.057 1.00 3.81 H new ATOM 0 HB3 MET A 109 6.138 -12.219 2.202 1.00 3.81 H new ATOM 0 HG2 MET A 109 3.824 -12.403 1.123 1.00 2.70 H new ATOM 0 HG3 MET A 109 4.432 -13.778 0.223 1.00 2.70 H new ATOM 0 HE1 MET A 109 4.458 -16.526 1.757 1.00 3.46 H new ATOM 0 HE2 MET A 109 5.828 -15.480 1.315 1.00 3.46 H new ATOM 0 HE3 MET A 109 5.672 -16.086 2.981 1.00 3.46 H new ATOM 1663 N THR A 110 8.526 -10.956 0.285 1.00 6.20 N ATOM 1664 CA THR A 110 9.659 -10.055 0.516 1.00 7.45 C ATOM 1665 C THR A 110 9.555 -8.840 -0.428 1.00 7.80 C ATOM 1666 O THR A 110 9.982 -7.740 -0.064 1.00 8.54 O ATOM 1667 CB THR A 110 11.004 -10.773 0.304 1.00 8.32 C ATOM 1668 OG1 THR A 110 11.068 -11.916 1.164 1.00 8.16 O ATOM 1669 CG2 THR A 110 12.204 -9.871 0.599 1.00 9.65 C ATOM 0 H THR A 110 8.778 -11.868 -0.096 1.00 6.20 H new ATOM 0 HA THR A 110 9.621 -9.720 1.553 1.00 7.45 H new ATOM 0 HB THR A 110 11.054 -11.063 -0.745 1.00 8.32 H new ATOM 0 HG1 THR A 110 10.714 -12.699 0.694 1.00 8.16 H new ATOM 0 HG21 THR A 110 13.127 -10.427 0.434 1.00 9.65 H new ATOM 0 HG22 THR A 110 12.179 -9.005 -0.062 1.00 9.65 H new ATOM 0 HG23 THR A 110 12.162 -9.538 1.636 1.00 9.65 H new ATOM 1677 N ASN A 111 8.987 -9.045 -1.647 1.00 7.42 N ATOM 1678 CA ASN A 111 8.796 -7.937 -2.605 1.00 8.00 C ATOM 1679 C ASN A 111 7.718 -6.943 -2.110 1.00 7.57 C ATOM 1680 O ASN A 111 7.547 -5.868 -2.693 1.00 8.26 O ATOM 1681 CB ASN A 111 8.413 -8.479 -3.988 1.00 7.98 C ATOM 1682 CG ASN A 111 8.814 -7.547 -5.118 1.00 9.16 C ATOM 1683 OD1 ASN A 111 8.045 -6.673 -5.520 1.00 9.84 O ATOM 1684 ND2 ASN A 111 10.023 -7.730 -5.635 1.00 9.58 N ATOM 0 H ASN A 111 8.661 -9.952 -1.979 1.00 7.42 H new ATOM 0 HA ASN A 111 9.743 -7.403 -2.682 1.00 8.00 H new ATOM 0 HB2 ASN A 111 8.888 -9.449 -4.137 1.00 7.98 H new ATOM 0 HB3 ASN A 111 7.336 -8.643 -4.023 1.00 7.98 H new ATOM 0 HD21 ASN A 111 10.348 -7.134 -6.396 1.00 9.58 H new ATOM 0 HD22 ASN A 111 10.627 -8.467 -5.271 1.00 9.58 H new ATOM 1691 N LEU A 112 7.005 -7.320 -1.031 1.00 6.48 N ATOM 1692 CA LEU A 112 5.973 -6.498 -0.436 1.00 6.02 C ATOM 1693 C LEU A 112 6.571 -5.639 0.694 1.00 6.50 C ATOM 1694 O LEU A 112 6.333 -4.429 0.753 1.00 6.87 O ATOM 1695 CB LEU A 112 4.812 -7.408 0.047 1.00 4.81 C ATOM 1696 CG LEU A 112 3.835 -6.810 1.070 1.00 4.44 C ATOM 1697 CD1 LEU A 112 2.473 -7.468 0.968 1.00 4.55 C ATOM 1698 CD2 LEU A 112 4.402 -6.990 2.459 1.00 4.77 C ATOM 0 H LEU A 112 7.142 -8.212 -0.556 1.00 6.48 H new ATOM 0 HA LEU A 112 5.563 -5.806 -1.171 1.00 6.02 H new ATOM 0 HB2 LEU A 112 4.239 -7.718 -0.827 1.00 4.81 H new ATOM 0 HB3 LEU A 112 5.246 -8.309 0.480 1.00 4.81 H new ATOM 0 HG LEU A 112 3.708 -5.748 0.861 1.00 4.44 H new ATOM 0 HD11 LEU A 112 1.800 -7.027 1.703 1.00 4.55 H new ATOM 0 HD12 LEU A 112 2.069 -7.315 -0.033 1.00 4.55 H new ATOM 0 HD13 LEU A 112 2.570 -8.537 1.160 1.00 4.55 H new ATOM 0 HD21 LEU A 112 3.713 -6.568 3.191 1.00 4.77 H new ATOM 0 HD22 LEU A 112 4.539 -8.052 2.661 1.00 4.77 H new ATOM 0 HD23 LEU A 112 5.363 -6.480 2.529 1.00 4.77 H new ATOM 1710 N GLY A 113 7.346 -6.286 1.580 1.00 6.67 N ATOM 1711 CA GLY A 113 7.966 -5.592 2.702 1.00 7.40 C ATOM 1712 C GLY A 113 9.382 -6.057 2.973 1.00 8.34 C ATOM 1713 O GLY A 113 9.803 -7.113 2.491 1.00 8.64 O ATOM 0 H GLY A 113 7.553 -7.284 1.535 1.00 6.67 H new ATOM 0 HA2 GLY A 113 7.973 -4.521 2.501 1.00 7.40 H new ATOM 0 HA3 GLY A 113 7.361 -5.745 3.596 1.00 7.40 H new ATOM 1717 N GLU A 114 10.108 -5.258 3.755 1.00 8.94 N ATOM 1718 CA GLU A 114 11.497 -5.555 4.118 1.00 10.00 C ATOM 1719 C GLU A 114 11.591 -6.170 5.510 1.00 10.47 C ATOM 1720 O GLU A 114 12.517 -6.933 5.801 1.00 11.33 O ATOM 1721 CB GLU A 114 12.331 -4.275 4.086 1.00 10.43 C ATOM 1722 CG GLU A 114 12.520 -3.689 2.693 1.00 10.39 C ATOM 1723 CD GLU A 114 13.349 -2.420 2.702 1.00 11.02 C ATOM 1724 OE1 GLU A 114 14.588 -2.519 2.579 1.00 11.20 O ATOM 1725 OE2 GLU A 114 12.760 -1.326 2.833 1.00 11.47 O ATOM 0 H GLU A 114 9.753 -4.389 4.154 1.00 8.94 H new ATOM 0 HA GLU A 114 11.880 -6.272 3.392 1.00 10.00 H new ATOM 0 HB2 GLU A 114 11.854 -3.528 4.721 1.00 10.43 H new ATOM 0 HB3 GLU A 114 13.311 -4.482 4.517 1.00 10.43 H new ATOM 0 HG2 GLU A 114 13.002 -4.429 2.054 1.00 10.39 H new ATOM 0 HG3 GLU A 114 11.544 -3.478 2.256 1.00 10.39 H new ATOM 1732 N LYS A 115 10.618 -5.826 6.361 1.00 10.04 N ATOM 1733 CA LYS A 115 10.558 -6.314 7.755 1.00 10.61 C ATOM 1734 C LYS A 115 10.430 -7.823 7.849 1.00 10.14 C ATOM 1735 O LYS A 115 10.960 -8.455 8.768 1.00 10.70 O ATOM 1736 CB LYS A 115 9.393 -5.678 8.530 1.00 11.03 C ATOM 1737 CG LYS A 115 8.022 -5.956 7.904 1.00 10.36 C ATOM 1738 CD LYS A 115 7.307 -4.671 7.480 1.00 10.71 C ATOM 1739 CE LYS A 115 8.036 -3.946 6.350 1.00 10.61 C ATOM 1740 NZ LYS A 115 7.402 -2.638 6.027 1.00 10.83 N ATOM 0 H LYS A 115 9.850 -5.204 6.110 1.00 10.04 H new ATOM 0 HA LYS A 115 11.507 -6.017 8.201 1.00 10.61 H new ATOM 0 HB2 LYS A 115 9.400 -6.053 9.553 1.00 11.03 H new ATOM 0 HB3 LYS A 115 9.548 -4.600 8.584 1.00 11.03 H new ATOM 0 HG2 LYS A 115 8.146 -6.604 7.036 1.00 10.36 H new ATOM 0 HG3 LYS A 115 7.401 -6.496 8.619 1.00 10.36 H new ATOM 0 HD2 LYS A 115 6.293 -4.911 7.160 1.00 10.71 H new ATOM 0 HD3 LYS A 115 7.221 -4.006 8.339 1.00 10.71 H new ATOM 0 HE2 LYS A 115 9.076 -3.785 6.634 1.00 10.61 H new ATOM 0 HE3 LYS A 115 8.043 -4.575 5.460 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 7.927 -2.179 5.256 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 6.417 -2.793 5.731 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 7.418 -2.027 6.868 1.00 10.83 H new ATOM 1754 N LEU A 116 9.722 -8.371 6.882 1.00 9.19 N ATOM 1755 CA LEU A 116 9.444 -9.784 6.842 1.00 8.69 C ATOM 1756 C LEU A 116 10.491 -10.561 6.040 1.00 9.07 C ATOM 1757 O LEU A 116 10.951 -10.094 4.992 1.00 9.05 O ATOM 1758 CB LEU A 116 8.028 -10.004 6.306 1.00 7.40 C ATOM 1759 CG LEU A 116 7.703 -9.418 4.920 1.00 6.84 C ATOM 1760 CD1 LEU A 116 8.070 -10.395 3.815 1.00 6.44 C ATOM 1761 CD2 LEU A 116 6.230 -9.050 4.836 1.00 6.43 C ATOM 0 H LEU A 116 9.325 -7.845 6.103 1.00 9.19 H new ATOM 0 HA LEU A 116 9.502 -10.179 7.856 1.00 8.69 H new ATOM 0 HB2 LEU A 116 7.843 -11.078 6.271 1.00 7.40 H new ATOM 0 HB3 LEU A 116 7.325 -9.582 7.025 1.00 7.40 H new ATOM 0 HG LEU A 116 8.299 -8.516 4.784 1.00 6.84 H new ATOM 0 HD11 LEU A 116 7.830 -9.956 2.847 1.00 6.44 H new ATOM 0 HD12 LEU A 116 9.137 -10.612 3.861 1.00 6.44 H new ATOM 0 HD13 LEU A 116 7.506 -11.319 3.944 1.00 6.44 H new ATOM 0 HD21 LEU A 116 6.014 -8.637 3.851 1.00 6.43 H new ATOM 0 HD22 LEU A 116 5.623 -9.941 4.997 1.00 6.43 H new ATOM 0 HD23 LEU A 116 5.996 -8.308 5.600 1.00 6.43 H new ATOM 1773 N THR A 117 10.856 -11.741 6.545 1.00 9.56 N ATOM 1774 CA THR A 117 11.843 -12.587 5.908 1.00 10.01 C ATOM 1775 C THR A 117 11.281 -13.871 5.365 1.00 9.24 C ATOM 1776 O THR A 117 10.077 -14.119 5.363 1.00 8.29 O ATOM 1777 CB THR A 117 12.985 -12.975 6.858 1.00 11.26 C ATOM 1778 OG1 THR A 117 12.472 -13.331 8.149 1.00 11.46 O ATOM 1779 CG2 THR A 117 13.941 -11.832 6.974 1.00 12.18 C ATOM 0 H THR A 117 10.471 -12.128 7.406 1.00 9.56 H new ATOM 0 HA THR A 117 12.210 -11.972 5.087 1.00 10.01 H new ATOM 0 HB THR A 117 13.506 -13.843 6.453 1.00 11.26 H new ATOM 0 HG1 THR A 117 13.214 -13.577 8.740 1.00 11.46 H new ATOM 0 HG21 THR A 117 14.753 -12.104 7.648 1.00 12.18 H new ATOM 0 HG22 THR A 117 14.349 -11.597 5.991 1.00 12.18 H new ATOM 0 HG23 THR A 117 13.419 -10.960 7.368 1.00 12.18 H new ATOM 1787 N ASP A 118 12.224 -14.665 4.882 1.00 9.74 N ATOM 1788 CA ASP A 118 11.992 -15.992 4.340 1.00 9.28 C ATOM 1789 C ASP A 118 11.409 -16.928 5.379 1.00 9.42 C ATOM 1790 O ASP A 118 10.696 -17.877 5.044 1.00 8.80 O ATOM 1791 CB ASP A 118 13.328 -16.517 3.863 1.00 10.08 C ATOM 1792 CG ASP A 118 13.639 -16.125 2.432 1.00 9.81 C ATOM 1793 OD1 ASP A 118 13.619 -17.015 1.556 1.00 9.86 O ATOM 1794 OD2 ASP A 118 13.902 -14.929 2.187 1.00 9.76 O ATOM 0 H ASP A 118 13.206 -14.392 4.856 1.00 9.74 H new ATOM 0 HA ASP A 118 11.271 -15.936 3.525 1.00 9.28 H new ATOM 0 HB2 ASP A 118 14.115 -16.141 4.517 1.00 10.08 H new ATOM 0 HB3 ASP A 118 13.337 -17.604 3.947 1.00 10.08 H new ATOM 1799 N GLU A 119 11.725 -16.645 6.642 1.00 10.37 N ATOM 1800 CA GLU A 119 11.209 -17.420 7.764 1.00 10.83 C ATOM 1801 C GLU A 119 9.704 -17.242 7.868 1.00 10.04 C ATOM 1802 O GLU A 119 9.009 -18.074 8.456 1.00 10.27 O ATOM 1803 CB GLU A 119 11.900 -17.045 9.080 1.00 12.10 C ATOM 1804 CG GLU A 119 13.337 -17.535 9.182 1.00 13.08 C ATOM 1805 CD GLU A 119 13.991 -17.152 10.496 1.00 14.16 C ATOM 1806 OE1 GLU A 119 13.893 -17.941 11.459 1.00 14.50 O ATOM 1807 OE2 GLU A 119 14.601 -16.064 10.561 1.00 14.78 O ATOM 0 H GLU A 119 12.341 -15.878 6.913 1.00 10.37 H new ATOM 0 HA GLU A 119 11.428 -18.472 7.579 1.00 10.83 H new ATOM 0 HB2 GLU A 119 11.887 -15.961 9.190 1.00 12.10 H new ATOM 0 HB3 GLU A 119 11.326 -17.456 9.911 1.00 12.10 H new ATOM 0 HG2 GLU A 119 13.356 -18.619 9.073 1.00 13.08 H new ATOM 0 HG3 GLU A 119 13.918 -17.122 8.357 1.00 13.08 H new ATOM 1814 N GLU A 120 9.215 -16.139 7.281 1.00 9.24 N ATOM 1815 CA GLU A 120 7.783 -15.879 7.194 1.00 8.40 C ATOM 1816 C GLU A 120 7.219 -16.918 6.247 1.00 7.57 C ATOM 1817 O GLU A 120 6.178 -17.510 6.503 1.00 7.44 O ATOM 1818 CB GLU A 120 7.478 -14.468 6.659 1.00 7.71 C ATOM 1819 CG GLU A 120 6.045 -14.011 6.918 1.00 7.14 C ATOM 1820 CD GLU A 120 5.860 -12.518 6.751 1.00 8.10 C ATOM 1821 OE1 GLU A 120 5.594 -12.076 5.613 1.00 8.52 O ATOM 1822 OE2 GLU A 120 5.980 -11.788 7.758 1.00 8.58 O ATOM 0 H GLU A 120 9.798 -15.415 6.861 1.00 9.24 H new ATOM 0 HA GLU A 120 7.336 -15.936 8.186 1.00 8.40 H new ATOM 0 HB2 GLU A 120 8.165 -13.758 7.119 1.00 7.71 H new ATOM 0 HB3 GLU A 120 7.669 -14.447 5.586 1.00 7.71 H new ATOM 0 HG2 GLU A 120 5.374 -14.533 6.236 1.00 7.14 H new ATOM 0 HG3 GLU A 120 5.756 -14.296 7.930 1.00 7.14 H new ATOM 1829 N VAL A 121 7.972 -17.183 5.169 1.00 7.19 N ATOM 1830 CA VAL A 121 7.579 -18.149 4.194 1.00 6.42 C ATOM 1831 C VAL A 121 7.683 -19.567 4.757 1.00 7.15 C ATOM 1832 O VAL A 121 6.718 -20.324 4.697 1.00 6.95 O ATOM 1833 CB VAL A 121 8.434 -17.974 2.924 1.00 5.97 C ATOM 1834 CG1 VAL A 121 7.902 -18.845 1.824 1.00 5.00 C ATOM 1835 CG2 VAL A 121 8.460 -16.509 2.479 1.00 5.72 C ATOM 0 H VAL A 121 8.861 -16.724 4.971 1.00 7.19 H new ATOM 0 HA VAL A 121 6.534 -17.989 3.930 1.00 6.42 H new ATOM 0 HB VAL A 121 9.456 -18.275 3.153 1.00 5.97 H new ATOM 0 HG11 VAL A 121 8.512 -18.715 0.930 1.00 5.00 H new ATOM 0 HG12 VAL A 121 7.935 -19.888 2.138 1.00 5.00 H new ATOM 0 HG13 VAL A 121 6.872 -18.565 1.604 1.00 5.00 H new ATOM 0 HG21 VAL A 121 9.070 -16.412 1.581 1.00 5.72 H new ATOM 0 HG22 VAL A 121 7.444 -16.175 2.266 1.00 5.72 H new ATOM 0 HG23 VAL A 121 8.884 -15.895 3.273 1.00 5.72 H new ATOM 1845 N ASP A 122 8.837 -19.885 5.349 1.00 8.17 N ATOM 1846 CA ASP A 122 9.087 -21.217 5.954 1.00 9.00 C ATOM 1847 C ASP A 122 8.071 -21.529 7.056 1.00 9.58 C ATOM 1848 O ASP A 122 7.808 -22.694 7.358 1.00 10.07 O ATOM 1849 CB ASP A 122 10.508 -21.312 6.517 1.00 10.08 C ATOM 1850 CG ASP A 122 11.574 -21.234 5.438 1.00 9.97 C ATOM 1851 OD1 ASP A 122 11.891 -22.283 4.840 1.00 10.09 O ATOM 1852 OD2 ASP A 122 12.091 -20.124 5.193 1.00 9.98 O ATOM 0 H ASP A 122 9.624 -19.241 5.428 1.00 8.17 H new ATOM 0 HA ASP A 122 8.975 -21.955 5.160 1.00 9.00 H new ATOM 0 HB2 ASP A 122 10.664 -20.507 7.235 1.00 10.08 H new ATOM 0 HB3 ASP A 122 10.616 -22.250 7.062 1.00 10.08 H new ATOM 1857 N GLU A 123 7.508 -20.462 7.637 1.00 9.61 N ATOM 1858 CA GLU A 123 6.488 -20.563 8.689 1.00 10.24 C ATOM 1859 C GLU A 123 5.145 -21.004 8.093 1.00 9.65 C ATOM 1860 O GLU A 123 4.435 -21.822 8.685 1.00 10.36 O ATOM 1861 CB GLU A 123 6.324 -19.219 9.410 1.00 10.45 C ATOM 1862 CG GLU A 123 7.180 -19.081 10.664 1.00 11.70 C ATOM 1863 CD GLU A 123 6.521 -19.676 11.895 1.00 11.94 C ATOM 1864 OE1 GLU A 123 6.731 -20.878 12.160 1.00 12.02 O ATOM 1865 OE2 GLU A 123 5.795 -18.938 12.594 1.00 12.16 O ATOM 0 H GLU A 123 7.748 -19.502 7.390 1.00 9.61 H new ATOM 0 HA GLU A 123 6.816 -21.311 9.411 1.00 10.24 H new ATOM 0 HB2 GLU A 123 6.577 -18.414 8.719 1.00 10.45 H new ATOM 0 HB3 GLU A 123 5.276 -19.089 9.681 1.00 10.45 H new ATOM 0 HG2 GLU A 123 8.140 -19.571 10.499 1.00 11.70 H new ATOM 0 HG3 GLU A 123 7.387 -18.026 10.843 1.00 11.70 H new ATOM 1872 N MET A 124 4.810 -20.445 6.915 1.00 8.45 N ATOM 1873 CA MET A 124 3.573 -20.782 6.205 1.00 7.91 C ATOM 1874 C MET A 124 3.743 -22.003 5.321 1.00 7.70 C ATOM 1875 O MET A 124 2.755 -22.632 4.930 1.00 7.76 O ATOM 1876 CB MET A 124 3.085 -19.597 5.371 1.00 6.78 C ATOM 1877 CG MET A 124 2.091 -18.708 6.104 1.00 6.98 C ATOM 1878 SD MET A 124 2.464 -16.952 5.949 1.00 6.62 S ATOM 1879 CE MET A 124 3.764 -16.781 7.163 1.00 7.40 C ATOM 0 H MET A 124 5.387 -19.753 6.436 1.00 8.45 H new ATOM 0 HA MET A 124 2.824 -21.017 6.962 1.00 7.91 H new ATOM 0 HB2 MET A 124 3.944 -18.997 5.069 1.00 6.78 H new ATOM 0 HB3 MET A 124 2.621 -19.971 4.458 1.00 6.78 H new ATOM 0 HG2 MET A 124 1.090 -18.896 5.716 1.00 6.98 H new ATOM 0 HG3 MET A 124 2.080 -18.979 7.160 1.00 6.98 H new ATOM 0 HE1 MET A 124 3.425 -16.131 7.970 1.00 7.40 H new ATOM 0 HE2 MET A 124 4.015 -17.761 7.568 1.00 7.40 H new ATOM 0 HE3 MET A 124 4.646 -16.346 6.693 1.00 7.40 H new ATOM 1889 N ILE A 125 4.996 -22.334 5.010 1.00 7.60 N ATOM 1890 CA ILE A 125 5.309 -23.486 4.184 1.00 7.41 C ATOM 1891 C ILE A 125 4.890 -24.794 4.852 1.00 8.49 C ATOM 1892 O ILE A 125 4.325 -25.674 4.205 1.00 8.45 O ATOM 1893 CB ILE A 125 6.790 -23.524 3.798 1.00 7.24 C ATOM 1894 CG1 ILE A 125 7.095 -22.399 2.813 1.00 6.16 C ATOM 1895 CG2 ILE A 125 7.088 -24.855 3.181 1.00 7.27 C ATOM 1896 CD1 ILE A 125 8.550 -22.089 2.660 1.00 6.48 C ATOM 0 H ILE A 125 5.814 -21.811 5.324 1.00 7.60 H new ATOM 0 HA ILE A 125 4.729 -23.379 3.267 1.00 7.41 H new ATOM 0 HB ILE A 125 7.413 -23.385 4.681 1.00 7.24 H new ATOM 0 HG12 ILE A 125 6.689 -22.666 1.838 1.00 6.16 H new ATOM 0 HG13 ILE A 125 6.576 -21.497 3.138 1.00 6.16 H new ATOM 0 HG21 ILE A 125 8.140 -24.898 2.900 1.00 7.27 H new ATOM 0 HG22 ILE A 125 6.871 -25.646 3.899 1.00 7.27 H new ATOM 0 HG23 ILE A 125 6.470 -24.991 2.294 1.00 7.27 H new ATOM 0 HD11 ILE A 125 8.676 -21.278 1.942 1.00 6.48 H new ATOM 0 HD12 ILE A 125 8.961 -21.788 3.623 1.00 6.48 H new ATOM 0 HD13 ILE A 125 9.075 -22.975 2.303 1.00 6.48 H new ATOM 1908 N ARG A 126 5.233 -24.909 6.129 1.00 9.53 N ATOM 1909 CA ARG A 126 4.869 -26.070 6.977 1.00 10.70 C ATOM 1910 C ARG A 126 3.406 -26.474 6.760 1.00 10.89 C ATOM 1911 O ARG A 126 3.081 -27.665 6.750 1.00 11.45 O ATOM 1912 CB ARG A 126 5.069 -25.758 8.466 1.00 11.76 C ATOM 1913 CG ARG A 126 6.457 -25.257 8.833 1.00 12.03 C ATOM 1914 CD ARG A 126 6.363 -23.996 9.671 1.00 12.20 C ATOM 1915 NE ARG A 126 7.687 -23.464 10.014 1.00 12.92 N ATOM 1916 CZ ARG A 126 8.166 -23.344 11.261 1.00 13.50 C ATOM 1917 NH1 ARG A 126 7.444 -23.713 12.318 1.00 13.44 N ATOM 1918 NH2 ARG A 126 9.381 -22.848 11.450 1.00 14.26 N ATOM 0 H ARG A 126 5.776 -24.201 6.623 1.00 9.53 H new ATOM 0 HA ARG A 126 5.525 -26.890 6.685 1.00 10.70 H new ATOM 0 HB2 ARG A 126 4.337 -25.009 8.767 1.00 11.76 H new ATOM 0 HB3 ARG A 126 4.859 -26.659 9.043 1.00 11.76 H new ATOM 0 HG2 ARG A 126 6.994 -26.028 9.385 1.00 12.03 H new ATOM 0 HG3 ARG A 126 7.029 -25.057 7.927 1.00 12.03 H new ATOM 0 HD2 ARG A 126 5.798 -23.240 9.126 1.00 12.20 H new ATOM 0 HD3 ARG A 126 5.810 -24.209 10.586 1.00 12.20 H new ATOM 0 HE ARG A 126 8.288 -23.163 9.247 1.00 12.92 H new ATOM 0 HH11 ARG A 126 6.507 -24.095 12.188 1.00 13.44 H new ATOM 0 HH12 ARG A 126 7.828 -23.613 13.258 1.00 13.44 H new ATOM 0 HH21 ARG A 126 9.945 -22.561 10.650 1.00 14.26 H new ATOM 0 HH22 ARG A 126 9.752 -22.754 12.395 1.00 14.26 H new ATOM 1932 N GLU A 127 2.531 -25.461 6.588 1.00 10.50 N ATOM 1933 CA GLU A 127 1.107 -25.698 6.333 1.00 10.79 C ATOM 1934 C GLU A 127 0.871 -26.077 4.869 1.00 10.06 C ATOM 1935 O GLU A 127 -0.059 -26.827 4.558 1.00 10.61 O ATOM 1936 CB GLU A 127 0.293 -24.455 6.681 1.00 10.70 C ATOM 1937 CG GLU A 127 0.053 -24.270 8.177 1.00 11.77 C ATOM 1938 CD GLU A 127 -1.035 -25.181 8.722 1.00 12.85 C ATOM 1939 OE1 GLU A 127 -0.705 -26.307 9.152 1.00 13.26 O ATOM 1940 OE2 GLU A 127 -2.213 -24.768 8.719 1.00 13.42 O ATOM 0 H GLU A 127 2.792 -24.475 6.622 1.00 10.50 H new ATOM 0 HA GLU A 127 0.784 -26.526 6.964 1.00 10.79 H new ATOM 0 HB2 GLU A 127 0.808 -23.576 6.294 1.00 10.70 H new ATOM 0 HB3 GLU A 127 -0.670 -24.509 6.173 1.00 10.70 H new ATOM 0 HG2 GLU A 127 0.982 -24.461 8.715 1.00 11.77 H new ATOM 0 HG3 GLU A 127 -0.219 -23.232 8.370 1.00 11.77 H new ATOM 1947 N ALA A 128 1.727 -25.547 3.978 1.00 8.89 N ATOM 1948 CA ALA A 128 1.645 -25.825 2.539 1.00 8.16 C ATOM 1949 C ALA A 128 2.160 -27.221 2.170 1.00 8.57 C ATOM 1950 O ALA A 128 1.749 -27.788 1.154 1.00 8.66 O ATOM 1951 CB ALA A 128 2.464 -24.801 1.798 1.00 6.87 C ATOM 0 H ALA A 128 2.488 -24.919 4.235 1.00 8.89 H new ATOM 0 HA ALA A 128 0.592 -25.778 2.260 1.00 8.16 H new ATOM 0 HB1 ALA A 128 2.410 -24.998 0.727 1.00 6.87 H new ATOM 0 HB2 ALA A 128 2.073 -23.804 2.004 1.00 6.87 H new ATOM 0 HB3 ALA A 128 3.502 -24.859 2.126 1.00 6.87 H new ATOM 1957 N ALA A 129 3.078 -27.751 3.007 1.00 8.95 N ATOM 1958 CA ALA A 129 3.726 -29.072 2.821 1.00 9.43 C ATOM 1959 C ALA A 129 4.828 -28.984 1.760 1.00 8.51 C ATOM 1960 O ALA A 129 5.997 -29.242 2.055 1.00 8.76 O ATOM 1961 CB ALA A 129 2.721 -30.186 2.490 1.00 10.42 C ATOM 0 H ALA A 129 3.397 -27.266 3.846 1.00 8.95 H new ATOM 0 HA ALA A 129 4.179 -29.344 3.774 1.00 9.43 H new ATOM 0 HB1 ALA A 129 3.252 -31.130 2.365 1.00 10.42 H new ATOM 0 HB2 ALA A 129 2.001 -30.280 3.303 1.00 10.42 H new ATOM 0 HB3 ALA A 129 2.196 -29.940 1.567 1.00 10.42 H new ATOM 1967 N ILE A 130 4.441 -28.599 0.521 1.00 7.54 N ATOM 1968 CA ILE A 130 5.370 -28.425 -0.624 1.00 6.69 C ATOM 1969 C ILE A 130 5.986 -29.738 -1.136 1.00 6.68 C ATOM 1970 O ILE A 130 6.225 -29.887 -2.336 1.00 6.97 O ATOM 1971 CB ILE A 130 6.481 -27.358 -0.294 1.00 5.80 C ATOM 1972 CG1 ILE A 130 6.218 -26.042 -1.040 1.00 5.43 C ATOM 1973 CG2 ILE A 130 7.898 -27.848 -0.600 1.00 6.19 C ATOM 1974 CD1 ILE A 130 5.091 -25.202 -0.465 1.00 4.53 C ATOM 0 H ILE A 130 3.469 -28.399 0.285 1.00 7.54 H new ATOM 0 HA ILE A 130 4.760 -28.052 -1.447 1.00 6.69 H new ATOM 0 HB ILE A 130 6.422 -27.189 0.781 1.00 5.80 H new ATOM 0 HG12 ILE A 130 7.133 -25.449 -1.037 1.00 5.43 H new ATOM 0 HG13 ILE A 130 5.989 -26.270 -2.081 1.00 5.43 H new ATOM 0 HG21 ILE A 130 8.615 -27.066 -0.350 1.00 6.19 H new ATOM 0 HG22 ILE A 130 8.111 -28.738 -0.008 1.00 6.19 H new ATOM 0 HG23 ILE A 130 7.979 -28.089 -1.660 1.00 6.19 H new ATOM 0 HD11 ILE A 130 4.977 -24.293 -1.055 1.00 4.53 H new ATOM 0 HD12 ILE A 130 4.162 -25.771 -0.493 1.00 4.53 H new ATOM 0 HD13 ILE A 130 5.324 -24.938 0.567 1.00 4.53 H new ATOM 1986 N ASP A 131 6.231 -30.668 -0.220 1.00 6.58 N ATOM 1987 CA ASP A 131 6.841 -31.966 -0.533 1.00 6.68 C ATOM 1988 C ASP A 131 6.015 -32.770 -1.543 1.00 6.59 C ATOM 1989 O ASP A 131 4.795 -32.607 -1.636 1.00 6.80 O ATOM 1990 CB ASP A 131 7.044 -32.775 0.755 1.00 7.70 C ATOM 1991 CG ASP A 131 8.206 -33.750 0.660 1.00 7.98 C ATOM 1992 OD1 ASP A 131 7.978 -34.907 0.249 1.00 8.18 O ATOM 1993 OD2 ASP A 131 9.342 -33.354 0.996 1.00 8.25 O ATOM 0 H ASP A 131 6.012 -30.547 0.769 1.00 6.58 H new ATOM 0 HA ASP A 131 7.808 -31.769 -0.996 1.00 6.68 H new ATOM 0 HB2 ASP A 131 7.217 -32.090 1.585 1.00 7.70 H new ATOM 0 HB3 ASP A 131 6.131 -33.326 0.981 1.00 7.70 H new ATOM 1998 N GLY A 132 6.711 -33.635 -2.289 1.00 6.49 N ATOM 1999 CA GLY A 132 6.072 -34.452 -3.306 1.00 6.52 C ATOM 2000 C GLY A 132 6.295 -33.889 -4.696 1.00 5.87 C ATOM 2001 O GLY A 132 6.668 -34.621 -5.616 1.00 6.01 O ATOM 0 H GLY A 132 7.717 -33.782 -2.202 1.00 6.49 H new ATOM 0 HA2 GLY A 132 6.464 -35.468 -3.257 1.00 6.52 H new ATOM 0 HA3 GLY A 132 5.002 -34.513 -3.105 1.00 6.52 H new ATOM 2005 N ASP A 133 6.061 -32.580 -4.835 1.00 5.34 N ATOM 2006 CA ASP A 133 6.234 -31.878 -6.105 1.00 4.95 C ATOM 2007 C ASP A 133 7.354 -30.889 -5.961 1.00 4.57 C ATOM 2008 O ASP A 133 8.094 -30.599 -6.906 1.00 4.65 O ATOM 2009 CB ASP A 133 4.996 -31.071 -6.447 1.00 4.99 C ATOM 2010 CG ASP A 133 3.741 -31.914 -6.605 1.00 5.63 C ATOM 2011 OD1 ASP A 133 3.035 -32.122 -5.595 1.00 6.07 O ATOM 2012 OD2 ASP A 133 3.466 -32.364 -7.737 1.00 5.97 O ATOM 0 H ASP A 133 5.747 -31.981 -4.071 1.00 5.34 H new ATOM 0 HA ASP A 133 6.431 -32.621 -6.878 1.00 4.95 H new ATOM 0 HB2 ASP A 133 4.829 -30.330 -5.665 1.00 4.99 H new ATOM 0 HB3 ASP A 133 5.174 -30.524 -7.373 1.00 4.99 H new ATOM 2017 N GLY A 134 7.448 -30.383 -4.734 1.00 4.47 N ATOM 2018 CA GLY A 134 8.423 -29.405 -4.391 1.00 4.33 C ATOM 2019 C GLY A 134 7.986 -27.967 -4.671 1.00 3.73 C ATOM 2020 O GLY A 134 8.796 -27.041 -4.568 1.00 3.75 O ATOM 0 H GLY A 134 6.839 -30.654 -3.962 1.00 4.47 H new ATOM 0 HA2 GLY A 134 8.663 -29.501 -3.332 1.00 4.33 H new ATOM 0 HA3 GLY A 134 9.339 -29.610 -4.945 1.00 4.33 H new ATOM 2024 N GLN A 135 6.705 -27.791 -5.023 1.00 3.55 N ATOM 2025 CA GLN A 135 6.135 -26.470 -5.331 1.00 3.33 C ATOM 2026 C GLN A 135 4.788 -26.283 -4.616 1.00 3.69 C ATOM 2027 O GLN A 135 4.394 -27.117 -3.795 1.00 4.33 O ATOM 2028 CB GLN A 135 5.935 -26.311 -6.839 1.00 3.82 C ATOM 2029 CG GLN A 135 7.195 -26.504 -7.675 1.00 4.41 C ATOM 2030 CD GLN A 135 6.934 -26.368 -9.163 1.00 5.26 C ATOM 2031 OE1 GLN A 135 7.018 -25.276 -9.723 1.00 5.74 O ATOM 2032 NE2 GLN A 135 6.614 -27.483 -9.811 1.00 5.78 N ATOM 0 H GLN A 135 6.036 -28.557 -5.102 1.00 3.55 H new ATOM 0 HA GLN A 135 6.835 -25.712 -4.980 1.00 3.33 H new ATOM 0 HB2 GLN A 135 5.183 -27.028 -7.169 1.00 3.82 H new ATOM 0 HB3 GLN A 135 5.534 -25.316 -7.035 1.00 3.82 H new ATOM 0 HG2 GLN A 135 7.943 -25.771 -7.373 1.00 4.41 H new ATOM 0 HG3 GLN A 135 7.614 -27.490 -7.472 1.00 4.41 H new ATOM 0 HE21 GLN A 135 6.556 -28.367 -9.306 1.00 5.78 H new ATOM 0 HE22 GLN A 135 6.427 -27.455 -10.813 1.00 5.78 H new ATOM 2041 N VAL A 136 4.089 -25.179 -4.937 1.00 3.59 N ATOM 2042 CA VAL A 136 2.790 -24.873 -4.357 1.00 4.23 C ATOM 2043 C VAL A 136 1.913 -24.127 -5.371 1.00 4.67 C ATOM 2044 O VAL A 136 2.247 -24.045 -6.551 1.00 4.74 O ATOM 2045 CB VAL A 136 2.939 -24.079 -3.015 1.00 4.02 C ATOM 2046 CG1 VAL A 136 3.268 -22.600 -3.231 1.00 3.51 C ATOM 2047 CG2 VAL A 136 1.717 -24.245 -2.108 1.00 5.08 C ATOM 0 H VAL A 136 4.417 -24.482 -5.605 1.00 3.59 H new ATOM 0 HA VAL A 136 2.291 -25.811 -4.114 1.00 4.23 H new ATOM 0 HB VAL A 136 3.794 -24.521 -2.504 1.00 4.02 H new ATOM 0 HG11 VAL A 136 3.359 -22.103 -2.265 1.00 3.51 H new ATOM 0 HG12 VAL A 136 4.209 -22.512 -3.774 1.00 3.51 H new ATOM 0 HG13 VAL A 136 2.471 -22.130 -3.807 1.00 3.51 H new ATOM 0 HG21 VAL A 136 1.866 -23.677 -1.190 1.00 5.08 H new ATOM 0 HG22 VAL A 136 0.829 -23.877 -2.623 1.00 5.08 H new ATOM 0 HG23 VAL A 136 1.585 -25.299 -1.865 1.00 5.08 H new ATOM 2057 N ASN A 137 0.803 -23.590 -4.885 1.00 5.28 N ATOM 2058 CA ASN A 137 -0.129 -22.848 -5.730 1.00 5.95 C ATOM 2059 C ASN A 137 0.013 -21.341 -5.503 1.00 5.49 C ATOM 2060 O ASN A 137 0.939 -20.877 -4.831 1.00 4.60 O ATOM 2061 CB ASN A 137 -1.590 -23.293 -5.513 1.00 7.18 C ATOM 2062 CG ASN A 137 -1.792 -24.787 -5.704 1.00 7.90 C ATOM 2063 OD1 ASN A 137 -2.107 -25.247 -6.802 1.00 8.11 O ATOM 2064 ND2 ASN A 137 -1.609 -25.551 -4.633 1.00 8.51 N ATOM 0 H ASN A 137 0.523 -23.653 -3.906 1.00 5.28 H new ATOM 0 HA ASN A 137 0.129 -23.072 -6.765 1.00 5.95 H new ATOM 0 HB2 ASN A 137 -1.902 -23.016 -4.506 1.00 7.18 H new ATOM 0 HB3 ASN A 137 -2.235 -22.753 -6.207 1.00 7.18 H new ATOM 0 HD21 ASN A 137 -1.729 -26.562 -4.701 1.00 8.51 H new ATOM 0 HD22 ASN A 137 -1.348 -25.127 -3.743 1.00 8.51 H new ATOM 2071 N TYR A 138 -0.925 -20.603 -6.081 1.00 6.22 N ATOM 2072 CA TYR A 138 -0.972 -19.148 -6.030 1.00 6.03 C ATOM 2073 C TYR A 138 -1.884 -18.659 -4.908 1.00 6.55 C ATOM 2074 O TYR A 138 -1.535 -17.734 -4.178 1.00 6.13 O ATOM 2075 CB TYR A 138 -1.473 -18.605 -7.385 1.00 6.78 C ATOM 2076 CG TYR A 138 -2.453 -19.543 -8.051 1.00 7.93 C ATOM 2077 CD1 TYR A 138 -3.761 -19.173 -8.314 1.00 8.62 C ATOM 2078 CD2 TYR A 138 -2.061 -20.833 -8.357 1.00 8.50 C ATOM 2079 CE1 TYR A 138 -4.646 -20.075 -8.867 1.00 9.65 C ATOM 2080 CE2 TYR A 138 -2.916 -21.724 -8.899 1.00 9.54 C ATOM 2081 CZ TYR A 138 -4.220 -21.357 -9.158 1.00 10.06 C ATOM 2082 OH TYR A 138 -5.095 -22.265 -9.710 1.00 11.13 O ATOM 0 H TYR A 138 -1.694 -21.010 -6.612 1.00 6.22 H new ATOM 0 HA TYR A 138 0.034 -18.779 -5.829 1.00 6.03 H new ATOM 0 HB2 TYR A 138 -1.947 -17.636 -7.233 1.00 6.78 H new ATOM 0 HB3 TYR A 138 -0.622 -18.443 -8.046 1.00 6.78 H new ATOM 0 HD1 TYR A 138 -4.091 -18.171 -8.084 1.00 8.62 H new ATOM 0 HD2 TYR A 138 -1.044 -21.135 -8.157 1.00 8.50 H new ATOM 0 HE1 TYR A 138 -5.665 -19.781 -9.071 1.00 9.65 H new ATOM 0 HE2 TYR A 138 -2.580 -22.724 -9.130 1.00 9.54 H new ATOM 0 HH TYR A 138 -4.634 -23.118 -9.853 1.00 11.13 H new ATOM 2092 N GLU A 139 -3.060 -19.294 -4.791 1.00 7.59 N ATOM 2093 CA GLU A 139 -4.060 -18.919 -3.785 1.00 8.39 C ATOM 2094 C GLU A 139 -3.801 -19.559 -2.418 1.00 8.26 C ATOM 2095 O GLU A 139 -3.741 -18.858 -1.409 1.00 8.61 O ATOM 2096 CB GLU A 139 -5.469 -19.281 -4.274 1.00 9.64 C ATOM 2097 CG GLU A 139 -6.022 -18.324 -5.319 1.00 10.21 C ATOM 2098 CD GLU A 139 -7.414 -18.708 -5.782 1.00 11.39 C ATOM 2099 OE1 GLU A 139 -7.524 -19.480 -6.757 1.00 11.90 O ATOM 2100 OE2 GLU A 139 -8.394 -18.235 -5.169 1.00 11.94 O ATOM 0 H GLU A 139 -3.341 -20.074 -5.385 1.00 7.59 H new ATOM 0 HA GLU A 139 -3.980 -17.840 -3.653 1.00 8.39 H new ATOM 0 HB2 GLU A 139 -5.451 -20.288 -4.691 1.00 9.64 H new ATOM 0 HB3 GLU A 139 -6.146 -19.302 -3.420 1.00 9.64 H new ATOM 0 HG2 GLU A 139 -6.046 -17.315 -4.906 1.00 10.21 H new ATOM 0 HG3 GLU A 139 -5.351 -18.302 -6.177 1.00 10.21 H new ATOM 2107 N GLU A 140 -3.620 -20.889 -2.407 1.00 7.94 N ATOM 2108 CA GLU A 140 -3.424 -21.676 -1.171 1.00 8.10 C ATOM 2109 C GLU A 140 -2.281 -21.191 -0.264 1.00 7.13 C ATOM 2110 O GLU A 140 -2.334 -21.418 0.949 1.00 7.54 O ATOM 2111 CB GLU A 140 -3.200 -23.151 -1.517 1.00 8.42 C ATOM 2112 CG GLU A 140 -4.461 -23.874 -1.969 1.00 9.47 C ATOM 2113 CD GLU A 140 -4.219 -25.341 -2.266 1.00 9.95 C ATOM 2114 OE1 GLU A 140 -4.119 -25.695 -3.460 1.00 10.29 O ATOM 2115 OE2 GLU A 140 -4.130 -26.135 -1.306 1.00 10.17 O ATOM 0 H GLU A 140 -3.605 -21.454 -3.256 1.00 7.94 H new ATOM 0 HA GLU A 140 -4.341 -21.536 -0.599 1.00 8.10 H new ATOM 0 HB2 GLU A 140 -2.450 -23.220 -2.305 1.00 8.42 H new ATOM 0 HB3 GLU A 140 -2.793 -23.662 -0.644 1.00 8.42 H new ATOM 0 HG2 GLU A 140 -5.223 -23.785 -1.195 1.00 9.47 H new ATOM 0 HG3 GLU A 140 -4.854 -23.387 -2.861 1.00 9.47 H new ATOM 2122 N PHE A 141 -1.258 -20.532 -0.830 1.00 5.98 N ATOM 2123 CA PHE A 141 -0.130 -20.066 -0.029 1.00 5.06 C ATOM 2124 C PHE A 141 -0.365 -18.703 0.620 1.00 4.76 C ATOM 2125 O PHE A 141 -0.305 -18.585 1.847 1.00 5.06 O ATOM 2126 CB PHE A 141 1.180 -20.085 -0.825 1.00 3.97 C ATOM 2127 CG PHE A 141 2.351 -20.341 0.062 1.00 3.73 C ATOM 2128 CD1 PHE A 141 2.811 -21.630 0.268 1.00 3.83 C ATOM 2129 CD2 PHE A 141 2.961 -19.292 0.718 1.00 4.10 C ATOM 2130 CE1 PHE A 141 3.867 -21.870 1.129 1.00 4.24 C ATOM 2131 CE2 PHE A 141 4.013 -19.520 1.568 1.00 4.47 C ATOM 2132 CZ PHE A 141 4.459 -20.804 1.777 1.00 4.52 C ATOM 0 H PHE A 141 -1.194 -20.315 -1.825 1.00 5.98 H new ATOM 0 HA PHE A 141 -0.038 -20.780 0.790 1.00 5.06 H new ATOM 0 HB2 PHE A 141 1.129 -20.855 -1.594 1.00 3.97 H new ATOM 0 HB3 PHE A 141 1.311 -19.131 -1.337 1.00 3.97 H new ATOM 0 HD1 PHE A 141 2.342 -22.455 -0.247 1.00 3.83 H new ATOM 0 HD2 PHE A 141 2.608 -18.284 0.561 1.00 4.10 H new ATOM 0 HE1 PHE A 141 4.223 -22.876 1.292 1.00 4.24 H new ATOM 0 HE2 PHE A 141 4.490 -18.693 2.072 1.00 4.47 H new ATOM 0 HZ PHE A 141 5.281 -20.980 2.455 1.00 4.52 H new ATOM 2142 N VAL A 142 -0.621 -17.688 -0.202 1.00 4.40 N ATOM 2143 CA VAL A 142 -0.889 -16.310 0.292 1.00 4.15 C ATOM 2144 C VAL A 142 -2.093 -16.325 1.216 1.00 5.25 C ATOM 2145 O VAL A 142 -2.157 -15.581 2.195 1.00 5.25 O ATOM 2146 CB VAL A 142 -1.180 -15.277 -0.825 1.00 4.09 C ATOM 2147 CG1 VAL A 142 -0.550 -13.936 -0.496 1.00 3.37 C ATOM 2148 CG2 VAL A 142 -0.716 -15.761 -2.178 1.00 3.96 C ATOM 0 H VAL A 142 -0.652 -17.779 -1.217 1.00 4.40 H new ATOM 0 HA VAL A 142 0.026 -16.003 0.799 1.00 4.15 H new ATOM 0 HB VAL A 142 -2.262 -15.154 -0.875 1.00 4.09 H new ATOM 0 HG11 VAL A 142 -0.767 -13.226 -1.294 1.00 3.37 H new ATOM 0 HG12 VAL A 142 -0.959 -13.563 0.443 1.00 3.37 H new ATOM 0 HG13 VAL A 142 0.529 -14.055 -0.400 1.00 3.37 H new ATOM 0 HG21 VAL A 142 -0.940 -15.006 -2.931 1.00 3.96 H new ATOM 0 HG22 VAL A 142 0.359 -15.940 -2.152 1.00 3.96 H new ATOM 0 HG23 VAL A 142 -1.232 -16.688 -2.429 1.00 3.96 H new ATOM 2158 N GLN A 143 -3.055 -17.180 0.867 1.00 6.26 N ATOM 2159 CA GLN A 143 -4.268 -17.360 1.678 1.00 7.42 C ATOM 2160 C GLN A 143 -3.916 -17.776 3.110 1.00 7.74 C ATOM 2161 O GLN A 143 -4.649 -17.457 4.050 1.00 8.48 O ATOM 2162 CB GLN A 143 -5.213 -18.388 1.044 1.00 8.47 C ATOM 2163 CG GLN A 143 -6.689 -18.115 1.305 1.00 9.24 C ATOM 2164 CD GLN A 143 -7.594 -19.152 0.668 1.00 10.23 C ATOM 2165 OE1 GLN A 143 -7.923 -20.167 1.283 1.00 10.70 O ATOM 2166 NE2 GLN A 143 -8.002 -18.901 -0.570 1.00 10.74 N ATOM 0 H GLN A 143 -3.021 -17.760 0.029 1.00 6.26 H new ATOM 0 HA GLN A 143 -4.782 -16.400 1.714 1.00 7.42 H new ATOM 0 HB2 GLN A 143 -5.042 -18.408 -0.032 1.00 8.47 H new ATOM 0 HB3 GLN A 143 -4.964 -19.379 1.425 1.00 8.47 H new ATOM 0 HG2 GLN A 143 -6.867 -18.094 2.380 1.00 9.24 H new ATOM 0 HG3 GLN A 143 -6.946 -17.128 0.920 1.00 9.24 H new ATOM 0 HE21 GLN A 143 -7.705 -18.047 -1.042 1.00 10.74 H new ATOM 0 HE22 GLN A 143 -8.613 -19.562 -1.050 1.00 10.74 H new ATOM 2175 N MET A 144 -2.790 -18.490 3.259 1.00 7.32 N ATOM 2176 CA MET A 144 -2.328 -18.919 4.575 1.00 7.88 C ATOM 2177 C MET A 144 -1.459 -17.871 5.247 1.00 7.37 C ATOM 2178 O MET A 144 -1.053 -18.014 6.406 1.00 8.01 O ATOM 2179 CB MET A 144 -1.612 -20.272 4.508 1.00 8.04 C ATOM 2180 CG MET A 144 -2.112 -21.300 5.522 1.00 9.33 C ATOM 2181 SD MET A 144 -2.092 -20.711 7.235 1.00 9.76 S ATOM 2182 CE MET A 144 -0.341 -20.747 7.631 1.00 9.64 C ATOM 0 H MET A 144 -2.190 -18.778 2.486 1.00 7.32 H new ATOM 0 HA MET A 144 -3.217 -19.043 5.193 1.00 7.88 H new ATOM 0 HB2 MET A 144 -1.729 -20.682 3.505 1.00 8.04 H new ATOM 0 HB3 MET A 144 -0.545 -20.113 4.665 1.00 8.04 H new ATOM 0 HG2 MET A 144 -3.130 -21.590 5.260 1.00 9.33 H new ATOM 0 HG3 MET A 144 -1.497 -22.197 5.449 1.00 9.33 H new ATOM 0 HE1 MET A 144 -0.202 -21.161 8.630 1.00 9.64 H new ATOM 0 HE2 MET A 144 0.184 -21.368 6.905 1.00 9.64 H new ATOM 0 HE3 MET A 144 0.060 -19.734 7.599 1.00 9.64 H new ATOM 2192 N MET A 145 -1.199 -16.825 4.497 1.00 6.37 N ATOM 2193 CA MET A 145 -0.431 -15.679 4.981 1.00 5.88 C ATOM 2194 C MET A 145 -1.420 -14.597 5.411 1.00 6.25 C ATOM 2195 O MET A 145 -1.090 -13.690 6.181 1.00 6.33 O ATOM 2196 CB MET A 145 0.609 -15.191 3.938 1.00 4.66 C ATOM 2197 CG MET A 145 0.155 -14.063 3.026 1.00 3.68 C ATOM 2198 SD MET A 145 0.293 -12.437 3.797 1.00 3.52 S ATOM 2199 CE MET A 145 -0.716 -11.450 2.695 1.00 3.45 C ATOM 0 H MET A 145 -1.511 -16.735 3.530 1.00 6.37 H new ATOM 0 HA MET A 145 0.170 -15.965 5.844 1.00 5.88 H new ATOM 0 HB2 MET A 145 1.503 -14.865 4.470 1.00 4.66 H new ATOM 0 HB3 MET A 145 0.899 -16.039 3.318 1.00 4.66 H new ATOM 0 HG2 MET A 145 0.751 -14.078 2.113 1.00 3.68 H new ATOM 0 HG3 MET A 145 -0.881 -14.234 2.733 1.00 3.68 H new ATOM 0 HE1 MET A 145 -0.309 -10.440 2.636 1.00 3.45 H new ATOM 0 HE2 MET A 145 -0.717 -11.900 1.702 1.00 3.45 H new ATOM 0 HE3 MET A 145 -1.737 -11.408 3.076 1.00 3.45 H new ATOM 2209 N THR A 146 -2.641 -14.733 4.879 1.00 6.65 N ATOM 2210 CA THR A 146 -3.753 -13.849 5.187 1.00 7.20 C ATOM 2211 C THR A 146 -4.547 -14.438 6.364 1.00 8.45 C ATOM 2212 O THR A 146 -5.230 -13.706 7.086 1.00 8.99 O ATOM 2213 CB THR A 146 -4.684 -13.670 3.960 1.00 7.31 C ATOM 2214 OG1 THR A 146 -3.905 -13.594 2.758 1.00 6.44 O ATOM 2215 CG2 THR A 146 -5.535 -12.407 4.079 1.00 7.72 C ATOM 0 H THR A 146 -2.879 -15.471 4.216 1.00 6.65 H new ATOM 0 HA THR A 146 -3.359 -12.868 5.453 1.00 7.20 H new ATOM 0 HB THR A 146 -5.347 -14.534 3.925 1.00 7.31 H new ATOM 0 HG1 THR A 146 -3.443 -14.446 2.613 1.00 6.44 H new ATOM 0 HG21 THR A 146 -6.174 -12.315 3.201 1.00 7.72 H new ATOM 0 HG22 THR A 146 -6.154 -12.468 4.974 1.00 7.72 H new ATOM 0 HG23 THR A 146 -4.884 -11.535 4.147 1.00 7.72 H new ATOM 2223 N ALA A 147 -4.443 -15.774 6.541 1.00 8.92 N ATOM 2224 CA ALA A 147 -5.126 -16.473 7.629 1.00 10.15 C ATOM 2225 C ALA A 147 -4.230 -16.583 8.866 1.00 10.43 C ATOM 2226 O ALA A 147 -4.716 -16.493 9.997 1.00 11.37 O ATOM 2227 CB ALA A 147 -5.569 -17.855 7.171 1.00 10.68 C ATOM 0 H ALA A 147 -3.889 -16.382 5.938 1.00 8.92 H new ATOM 0 HA ALA A 147 -6.007 -15.892 7.903 1.00 10.15 H new ATOM 0 HB1 ALA A 147 -6.076 -18.365 7.990 1.00 10.68 H new ATOM 0 HB2 ALA A 147 -6.252 -17.757 6.327 1.00 10.68 H new ATOM 0 HB3 ALA A 147 -4.697 -18.435 6.867 1.00 10.68 H new ATOM 2233 N LYS A 148 -2.918 -16.779 8.638 1.00 9.72 N ATOM 2234 CA LYS A 148 -1.946 -16.902 9.715 1.00 10.13 C ATOM 2235 C LYS A 148 -0.650 -16.172 9.361 1.00 9.70 C ATOM 2236 O LYS A 148 -0.292 -15.223 10.090 1.00 9.60 O ATOM 2237 CB LYS A 148 -1.652 -18.380 10.039 1.00 10.60 C ATOM 2238 CG LYS A 148 -2.745 -19.076 10.847 1.00 11.38 C ATOM 2239 CD LYS A 148 -3.766 -19.763 9.948 1.00 11.36 C ATOM 2240 CE LYS A 148 -4.848 -20.467 10.756 1.00 12.34 C ATOM 2241 NZ LYS A 148 -4.345 -21.708 11.412 1.00 12.59 N ATOM 2242 OXT LYS A 148 -0.010 -16.547 8.354 1.00 9.69 O ATOM 0 H LYS A 148 -2.514 -16.855 7.704 1.00 9.72 H new ATOM 0 HA LYS A 148 -2.378 -16.439 10.602 1.00 10.13 H new ATOM 0 HB2 LYS A 148 -1.506 -18.922 9.105 1.00 10.60 H new ATOM 0 HB3 LYS A 148 -0.714 -18.439 10.592 1.00 10.60 H new ATOM 0 HG2 LYS A 148 -2.292 -19.812 11.511 1.00 11.38 H new ATOM 0 HG3 LYS A 148 -3.251 -18.345 11.478 1.00 11.38 H new ATOM 0 HD2 LYS A 148 -4.226 -19.025 9.290 1.00 11.36 H new ATOM 0 HD3 LYS A 148 -3.260 -20.487 9.310 1.00 11.36 H new ATOM 0 HE2 LYS A 148 -5.232 -19.787 11.516 1.00 12.34 H new ATOM 0 HE3 LYS A 148 -5.683 -20.717 10.101 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 -5.116 -22.153 11.950 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 -4.002 -22.370 10.687 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 -3.566 -21.468 12.057 1.00 12.59 H new