USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 785 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 13 LYS NZ :NH3+ -113:sc= 1.12 (180deg=0.417) USER MOD Set 1.2: A 39 TYR OH : rot 165:sc= 0.771 USER MOD Single : A 8 THR OG1 : rot 36:sc= 0.0719 USER MOD Single : A 9 SER OG : rot 180:sc= -0.134 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 20 ASN : amide:sc= -0.975 X(o=-0.98,f=-0.67) USER MOD Single : A 27 GLN : amide:sc= -1.05 K(o=-1,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 37 THR OG1 : rot -150:sc= 0.606 USER MOD Single : A 38 SER OG : rot 180:sc= -0.231 USER MOD Single : A 49 GLN : amide:sc= -0.708 K(o=-0.71,f=-0.039) USER MOD Single : A 50 GLN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 1.21 (180deg=0.909) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.882 (180deg=0.67) USER MOD Single : A 59 HIS : no HD1:sc=-0.00681 X(o=-0.0068,f=-0.024) USER MOD Single : A 68 ASN : amide:sc= -0.0891 X(o=-0.089,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.2) USER MOD Single : A 72 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 74 THR OG1 : rot 71:sc= 0.828 USER MOD Single : A 78 ASN : amide:sc= -0.85 X(o=-0.85,f=-0.99) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 84 LYS NZ :NH3+ 145:sc= -2.25! (180deg=-4.68!) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 86 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.4) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -160:sc= -0.111 (180deg=-0.531) USER MOD Single : A 89 GLN : amide:sc= 0.653 K(o=0.65,f=0) USER MOD Single : A 91 SER OG : rot -170:sc= -0.896 USER MOD Single : A 92 MET CE :methyl -148:sc= -0.0925 (180deg=-1.43) USER MOD Single : A 96 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.48) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 8 1.476 -18.535 -5.914 1.00 71.14 N ATOM 100 CA THR A 8 1.463 -17.088 -6.175 1.00 23.14 C ATOM 101 C THR A 8 1.672 -16.284 -4.882 1.00 54.04 C ATOM 102 O THR A 8 1.076 -16.590 -3.848 1.00 52.34 O ATOM 103 CB THR A 8 0.126 -16.645 -6.830 1.00 41.33 C ATOM 104 OG1 THR A 8 -0.105 -17.384 -8.043 1.00 44.31 O ATOM 105 CG2 THR A 8 0.130 -15.152 -7.144 1.00 61.14 C ATOM 0 HA THR A 8 2.286 -16.886 -6.861 1.00 23.14 H new ATOM 0 HB THR A 8 -0.673 -16.849 -6.117 1.00 41.33 H new ATOM 0 HG1 THR A 8 0.217 -18.303 -7.932 1.00 44.31 H new ATOM 0 HG21 THR A 8 -0.819 -14.874 -7.601 1.00 61.14 H new ATOM 0 HG22 THR A 8 0.268 -14.587 -6.222 1.00 61.14 H new ATOM 0 HG23 THR A 8 0.944 -14.927 -7.833 1.00 61.14 H new ATOM 113 N SER A 9 2.532 -15.267 -4.940 1.00 4.32 N ATOM 114 CA SER A 9 2.745 -14.359 -3.797 1.00 72.34 C ATOM 115 C SER A 9 2.284 -12.933 -4.135 1.00 3.44 C ATOM 116 O SER A 9 1.882 -12.656 -5.265 1.00 50.42 O ATOM 117 CB SER A 9 4.223 -14.348 -3.381 1.00 2.54 C ATOM 118 OG SER A 9 4.435 -13.519 -2.247 1.00 52.32 O ATOM 0 H SER A 9 3.095 -15.046 -5.762 1.00 4.32 H new ATOM 0 HA SER A 9 2.148 -14.728 -2.963 1.00 72.34 H new ATOM 0 HB2 SER A 9 4.547 -15.364 -3.157 1.00 2.54 H new ATOM 0 HB3 SER A 9 4.834 -13.995 -4.212 1.00 2.54 H new ATOM 0 HG SER A 9 5.384 -13.533 -2.004 1.00 52.32 H new ATOM 124 N PHE A 10 2.348 -12.026 -3.159 1.00 73.22 N ATOM 125 CA PHE A 10 1.851 -10.652 -3.341 1.00 63.45 C ATOM 126 C PHE A 10 2.880 -9.607 -2.873 1.00 2.11 C ATOM 127 O PHE A 10 3.465 -9.736 -1.798 1.00 23.12 O ATOM 128 CB PHE A 10 0.528 -10.466 -2.578 1.00 32.54 C ATOM 129 CG PHE A 10 -0.552 -11.436 -2.996 1.00 23.54 C ATOM 130 CD1 PHE A 10 -1.377 -11.159 -4.077 1.00 34.21 C ATOM 131 CD2 PHE A 10 -0.737 -12.630 -2.311 1.00 64.42 C ATOM 132 CE1 PHE A 10 -2.362 -12.051 -4.464 1.00 11.43 C ATOM 133 CE2 PHE A 10 -1.719 -13.523 -2.695 1.00 45.21 C ATOM 134 CZ PHE A 10 -2.531 -13.233 -3.771 1.00 2.34 C ATOM 0 H PHE A 10 2.737 -12.213 -2.235 1.00 73.22 H new ATOM 0 HA PHE A 10 1.682 -10.498 -4.407 1.00 63.45 H new ATOM 0 HB2 PHE A 10 0.715 -10.581 -1.510 1.00 32.54 H new ATOM 0 HB3 PHE A 10 0.170 -9.448 -2.731 1.00 32.54 H new ATOM 0 HD1 PHE A 10 -1.249 -10.236 -4.623 1.00 34.21 H new ATOM 0 HD2 PHE A 10 -0.105 -12.864 -1.467 1.00 64.42 H new ATOM 0 HE1 PHE A 10 -2.997 -11.823 -5.307 1.00 11.43 H new ATOM 0 HE2 PHE A 10 -1.850 -14.448 -2.153 1.00 45.21 H new ATOM 0 HZ PHE A 10 -3.299 -13.930 -4.072 1.00 2.34 H new ATOM 144 N ILE A 11 3.095 -8.572 -3.690 1.00 75.44 N ATOM 145 CA ILE A 11 4.043 -7.491 -3.359 1.00 42.15 C ATOM 146 C ILE A 11 3.328 -6.129 -3.272 1.00 11.01 C ATOM 147 O ILE A 11 2.570 -5.764 -4.170 1.00 64.41 O ATOM 148 CB ILE A 11 5.175 -7.386 -4.417 1.00 0.22 C ATOM 149 CG1 ILE A 11 5.898 -8.731 -4.577 1.00 52.13 C ATOM 150 CG2 ILE A 11 6.167 -6.283 -4.041 1.00 42.11 C ATOM 151 CD1 ILE A 11 7.022 -8.708 -5.593 1.00 63.41 C ATOM 0 H ILE A 11 2.627 -8.455 -4.589 1.00 75.44 H new ATOM 0 HA ILE A 11 4.474 -7.741 -2.390 1.00 42.15 H new ATOM 0 HB ILE A 11 4.721 -7.127 -5.374 1.00 0.22 H new ATOM 0 HG12 ILE A 11 6.302 -9.032 -3.610 1.00 52.13 H new ATOM 0 HG13 ILE A 11 5.172 -9.490 -4.870 1.00 52.13 H new ATOM 0 HG21 ILE A 11 6.952 -6.227 -4.795 1.00 42.11 H new ATOM 0 HG22 ILE A 11 5.646 -5.327 -3.988 1.00 42.11 H new ATOM 0 HG23 ILE A 11 6.611 -6.508 -3.072 1.00 42.11 H new ATOM 0 HD11 ILE A 11 7.483 -9.694 -5.648 1.00 63.41 H new ATOM 0 HD12 ILE A 11 6.623 -8.439 -6.571 1.00 63.41 H new ATOM 0 HD13 ILE A 11 7.770 -7.974 -5.292 1.00 63.41 H new ATOM 163 N LEU A 12 3.579 -5.379 -2.199 1.00 63.15 N ATOM 164 CA LEU A 12 2.971 -4.050 -2.023 1.00 15.04 C ATOM 165 C LEU A 12 3.893 -2.927 -2.527 1.00 52.43 C ATOM 166 O LEU A 12 5.071 -2.857 -2.163 1.00 35.13 O ATOM 167 CB LEU A 12 2.638 -3.795 -0.547 1.00 63.43 C ATOM 168 CG LEU A 12 1.990 -2.428 -0.252 1.00 61.42 C ATOM 169 CD1 LEU A 12 0.555 -2.382 -0.772 1.00 32.22 C ATOM 170 CD2 LEU A 12 2.039 -2.110 1.237 1.00 51.22 C ATOM 0 H LEU A 12 4.196 -5.663 -1.438 1.00 63.15 H new ATOM 0 HA LEU A 12 2.056 -4.043 -2.615 1.00 15.04 H new ATOM 0 HB2 LEU A 12 1.967 -4.581 -0.201 1.00 63.43 H new ATOM 0 HB3 LEU A 12 3.555 -3.879 0.036 1.00 63.43 H new ATOM 0 HG LEU A 12 2.564 -1.664 -0.777 1.00 61.42 H new ATOM 0 HD11 LEU A 12 0.119 -1.407 -0.552 1.00 32.22 H new ATOM 0 HD12 LEU A 12 0.553 -2.545 -1.850 1.00 32.22 H new ATOM 0 HD13 LEU A 12 -0.033 -3.161 -0.286 1.00 32.22 H new ATOM 0 HD21 LEU A 12 1.575 -1.140 1.417 1.00 51.22 H new ATOM 0 HD22 LEU A 12 1.500 -2.879 1.791 1.00 51.22 H new ATOM 0 HD23 LEU A 12 3.077 -2.083 1.569 1.00 51.22 H new ATOM 182 N LYS A 13 3.345 -2.044 -3.360 1.00 54.40 N ATOM 183 CA LYS A 13 4.075 -0.869 -3.846 1.00 30.42 C ATOM 184 C LYS A 13 3.404 0.434 -3.392 1.00 52.23 C ATOM 185 O LYS A 13 2.176 0.523 -3.326 1.00 14.34 O ATOM 186 CB LYS A 13 4.163 -0.884 -5.373 1.00 14.55 C ATOM 187 CG LYS A 13 4.866 -2.111 -5.932 1.00 42.33 C ATOM 188 CD LYS A 13 4.879 -2.102 -7.453 1.00 10.33 C ATOM 189 CE LYS A 13 3.467 -1.993 -8.025 1.00 20.31 C ATOM 190 NZ LYS A 13 3.420 -2.352 -9.465 1.00 30.42 N ATOM 0 H LYS A 13 2.392 -2.119 -3.716 1.00 54.40 H new ATOM 0 HA LYS A 13 5.078 -0.912 -3.422 1.00 30.42 H new ATOM 0 HB2 LYS A 13 3.156 -0.833 -5.787 1.00 14.55 H new ATOM 0 HB3 LYS A 13 4.690 0.010 -5.707 1.00 14.55 H new ATOM 0 HG2 LYS A 13 5.889 -2.147 -5.559 1.00 42.33 H new ATOM 0 HG3 LYS A 13 4.365 -3.012 -5.577 1.00 42.33 H new ATOM 0 HD2 LYS A 13 5.482 -1.266 -7.808 1.00 10.33 H new ATOM 0 HD3 LYS A 13 5.352 -3.013 -7.819 1.00 10.33 H new ATOM 0 HE2 LYS A 13 2.798 -2.648 -7.466 1.00 20.31 H new ATOM 0 HE3 LYS A 13 3.100 -0.975 -7.893 1.00 20.31 H new ATOM 0 HZ1 LYS A 13 3.187 -1.508 -10.026 1.00 30.42 H new ATOM 0 HZ2 LYS A 13 4.346 -2.720 -9.761 1.00 30.42 H new ATOM 0 HZ3 LYS A 13 2.693 -3.080 -9.618 1.00 30.42 H new ATOM 204 N VAL A 14 4.218 1.441 -3.093 1.00 60.04 N ATOM 205 CA VAL A 14 3.719 2.761 -2.701 1.00 51.23 C ATOM 206 C VAL A 14 4.266 3.854 -3.634 1.00 3.33 C ATOM 207 O VAL A 14 5.475 4.090 -3.694 1.00 64.34 O ATOM 208 CB VAL A 14 4.100 3.096 -1.237 1.00 72.31 C ATOM 209 CG1 VAL A 14 3.610 4.491 -0.849 1.00 23.33 C ATOM 210 CG2 VAL A 14 3.546 2.042 -0.280 1.00 65.32 C ATOM 0 H VAL A 14 5.235 1.370 -3.114 1.00 60.04 H new ATOM 0 HA VAL A 14 2.632 2.731 -2.782 1.00 51.23 H new ATOM 0 HB VAL A 14 5.187 3.088 -1.161 1.00 72.31 H new ATOM 0 HG11 VAL A 14 3.890 4.701 0.183 1.00 23.33 H new ATOM 0 HG12 VAL A 14 4.064 5.232 -1.507 1.00 23.33 H new ATOM 0 HG13 VAL A 14 2.525 4.536 -0.947 1.00 23.33 H new ATOM 0 HG21 VAL A 14 3.825 2.296 0.743 1.00 65.32 H new ATOM 0 HG22 VAL A 14 2.460 2.011 -0.363 1.00 65.32 H new ATOM 0 HG23 VAL A 14 3.958 1.066 -0.536 1.00 65.32 H new ATOM 220 N LEU A 15 3.371 4.505 -4.371 1.00 15.32 N ATOM 221 CA LEU A 15 3.746 5.608 -5.256 1.00 55.30 C ATOM 222 C LEU A 15 3.744 6.931 -4.465 1.00 70.14 C ATOM 223 O LEU A 15 2.700 7.558 -4.277 1.00 1.54 O ATOM 224 CB LEU A 15 2.774 5.677 -6.456 1.00 63.13 C ATOM 225 CG LEU A 15 3.345 6.261 -7.767 1.00 34.03 C ATOM 226 CD1 LEU A 15 2.299 6.207 -8.878 1.00 3.42 C ATOM 227 CD2 LEU A 15 3.847 7.690 -7.575 1.00 71.41 C ATOM 0 H LEU A 15 2.374 4.287 -4.374 1.00 15.32 H new ATOM 0 HA LEU A 15 4.751 5.439 -5.643 1.00 55.30 H new ATOM 0 HB2 LEU A 15 2.410 4.670 -6.660 1.00 63.13 H new ATOM 0 HB3 LEU A 15 1.911 6.274 -6.163 1.00 63.13 H new ATOM 0 HG LEU A 15 4.198 5.647 -8.057 1.00 34.03 H new ATOM 0 HD11 LEU A 15 2.719 6.623 -9.794 1.00 3.42 H new ATOM 0 HD12 LEU A 15 2.005 5.172 -9.051 1.00 3.42 H new ATOM 0 HD13 LEU A 15 1.425 6.788 -8.583 1.00 3.42 H new ATOM 0 HD21 LEU A 15 4.241 8.067 -8.519 1.00 71.41 H new ATOM 0 HD22 LEU A 15 3.023 8.324 -7.247 1.00 71.41 H new ATOM 0 HD23 LEU A 15 4.635 7.701 -6.822 1.00 71.41 H new ATOM 239 N TRP A 16 4.920 7.330 -3.990 1.00 53.12 N ATOM 240 CA TRP A 16 5.059 8.511 -3.126 1.00 25.51 C ATOM 241 C TRP A 16 5.193 9.802 -3.956 1.00 22.11 C ATOM 242 O TRP A 16 6.159 9.972 -4.706 1.00 55.31 O ATOM 243 CB TRP A 16 6.286 8.330 -2.217 1.00 25.52 C ATOM 244 CG TRP A 16 6.375 9.318 -1.084 1.00 63.00 C ATOM 245 CD1 TRP A 16 6.799 10.616 -1.146 1.00 70.11 C ATOM 246 CD2 TRP A 16 6.049 9.070 0.291 1.00 51.40 C ATOM 247 NE1 TRP A 16 6.748 11.189 0.102 1.00 15.31 N ATOM 248 CE2 TRP A 16 6.291 10.262 1.001 1.00 62.02 C ATOM 249 CE3 TRP A 16 5.571 7.958 0.988 1.00 64.33 C ATOM 250 CZ2 TRP A 16 6.073 10.368 2.373 1.00 51.32 C ATOM 251 CZ3 TRP A 16 5.355 8.065 2.349 1.00 12.20 C ATOM 252 CH2 TRP A 16 5.605 9.262 3.030 1.00 40.32 C ATOM 0 H TRP A 16 5.800 6.853 -4.187 1.00 53.12 H new ATOM 0 HA TRP A 16 4.160 8.606 -2.517 1.00 25.51 H new ATOM 0 HB2 TRP A 16 6.270 7.322 -1.803 1.00 25.52 H new ATOM 0 HB3 TRP A 16 7.187 8.411 -2.824 1.00 25.52 H new ATOM 0 HD1 TRP A 16 7.126 11.118 -2.045 1.00 70.11 H new ATOM 0 HE1 TRP A 16 7.009 12.150 0.323 1.00 15.31 H new ATOM 0 HE3 TRP A 16 5.373 7.030 0.472 1.00 64.33 H new ATOM 0 HZ2 TRP A 16 6.267 11.291 2.900 1.00 51.32 H new ATOM 0 HZ3 TRP A 16 4.987 7.210 2.897 1.00 12.20 H new ATOM 0 HH2 TRP A 16 5.425 9.314 4.094 1.00 40.32 H new ATOM 263 N LEU A 17 4.228 10.711 -3.816 1.00 1.03 N ATOM 264 CA LEU A 17 4.241 11.989 -4.543 1.00 63.14 C ATOM 265 C LEU A 17 4.473 13.176 -3.593 1.00 74.04 C ATOM 266 O LEU A 17 4.695 12.998 -2.398 1.00 44.03 O ATOM 267 CB LEU A 17 2.916 12.182 -5.297 1.00 75.32 C ATOM 268 CG LEU A 17 2.647 11.180 -6.431 1.00 45.24 C ATOM 269 CD1 LEU A 17 1.268 11.416 -7.043 1.00 24.11 C ATOM 270 CD2 LEU A 17 3.737 11.273 -7.500 1.00 63.42 C ATOM 0 H LEU A 17 3.422 10.589 -3.203 1.00 1.03 H new ATOM 0 HA LEU A 17 5.066 11.957 -5.255 1.00 63.14 H new ATOM 0 HB2 LEU A 17 2.098 12.120 -4.580 1.00 75.32 H new ATOM 0 HB3 LEU A 17 2.899 13.189 -5.714 1.00 75.32 H new ATOM 0 HG LEU A 17 2.665 10.174 -6.011 1.00 45.24 H new ATOM 0 HD11 LEU A 17 1.097 10.696 -7.844 1.00 24.11 H new ATOM 0 HD12 LEU A 17 0.504 11.293 -6.276 1.00 24.11 H new ATOM 0 HD13 LEU A 17 1.217 12.427 -7.447 1.00 24.11 H new ATOM 0 HD21 LEU A 17 3.529 10.556 -8.295 1.00 63.42 H new ATOM 0 HD22 LEU A 17 3.754 12.281 -7.916 1.00 63.42 H new ATOM 0 HD23 LEU A 17 4.705 11.049 -7.053 1.00 63.42 H new ATOM 282 N ASP A 18 4.413 14.388 -4.147 1.00 5.50 N ATOM 283 CA ASP A 18 4.609 15.620 -3.373 1.00 51.44 C ATOM 284 C ASP A 18 3.426 15.891 -2.417 1.00 12.33 C ATOM 285 O ASP A 18 3.620 16.158 -1.230 1.00 43.44 O ATOM 286 CB ASP A 18 4.799 16.792 -4.349 1.00 43.03 C ATOM 287 CG ASP A 18 5.117 18.107 -3.655 1.00 0.55 C ATOM 288 OD1 ASP A 18 6.292 18.328 -3.297 1.00 54.40 O ATOM 289 OD2 ASP A 18 4.202 18.941 -3.499 1.00 25.02 O ATOM 0 H ASP A 18 4.229 14.546 -5.138 1.00 5.50 H new ATOM 0 HA ASP A 18 5.497 15.507 -2.751 1.00 51.44 H new ATOM 0 HB2 ASP A 18 5.605 16.551 -5.043 1.00 43.03 H new ATOM 0 HB3 ASP A 18 3.893 16.912 -4.942 1.00 43.03 H new ATOM 294 N GLN A 19 2.203 15.821 -2.944 1.00 0.24 N ATOM 295 CA GLN A 19 0.992 16.078 -2.145 1.00 3.21 C ATOM 296 C GLN A 19 0.187 14.793 -1.879 1.00 5.24 C ATOM 297 O GLN A 19 -0.717 14.781 -1.039 1.00 24.24 O ATOM 298 CB GLN A 19 0.088 17.087 -2.869 1.00 44.32 C ATOM 299 CG GLN A 19 0.755 18.420 -3.184 1.00 41.45 C ATOM 300 CD GLN A 19 -0.152 19.358 -3.969 1.00 3.20 C ATOM 301 OE1 GLN A 19 -1.373 19.327 -3.830 1.00 3.22 O ATOM 302 NE2 GLN A 19 0.431 20.202 -4.799 1.00 1.41 N ATOM 0 H GLN A 19 2.019 15.589 -3.920 1.00 0.24 H new ATOM 0 HA GLN A 19 1.322 16.479 -1.187 1.00 3.21 H new ATOM 0 HB2 GLN A 19 -0.261 16.640 -3.800 1.00 44.32 H new ATOM 0 HB3 GLN A 19 -0.793 17.272 -2.255 1.00 44.32 H new ATOM 0 HG2 GLN A 19 1.052 18.903 -2.253 1.00 41.45 H new ATOM 0 HG3 GLN A 19 1.666 18.240 -3.754 1.00 41.45 H new ATOM 0 HE21 GLN A 19 1.447 20.205 -4.893 1.00 1.41 H new ATOM 0 HE22 GLN A 19 -0.134 20.852 -5.346 1.00 1.41 H new ATOM 311 N ASN A 20 0.497 13.716 -2.603 1.00 12.13 N ATOM 312 CA ASN A 20 -0.301 12.482 -2.529 1.00 45.21 C ATOM 313 C ASN A 20 0.574 11.231 -2.327 1.00 43.04 C ATOM 314 O ASN A 20 1.796 11.276 -2.463 1.00 43.21 O ATOM 315 CB ASN A 20 -1.152 12.316 -3.801 1.00 54.24 C ATOM 316 CG ASN A 20 -2.064 13.503 -4.089 1.00 31.12 C ATOM 317 OD1 ASN A 20 -2.383 13.784 -5.237 1.00 44.42 O ATOM 318 ND2 ASN A 20 -2.495 14.211 -3.062 1.00 15.43 N ATOM 0 H ASN A 20 1.289 13.669 -3.244 1.00 12.13 H new ATOM 0 HA ASN A 20 -0.952 12.577 -1.660 1.00 45.21 H new ATOM 0 HB2 ASN A 20 -0.490 12.163 -4.653 1.00 54.24 H new ATOM 0 HB3 ASN A 20 -1.761 11.417 -3.705 1.00 54.24 H new ATOM 0 HD21 ASN A 20 -3.108 15.012 -3.216 1.00 15.43 H new ATOM 0 HD22 ASN A 20 -2.215 13.957 -2.114 1.00 15.43 H new ATOM 325 N VAL A 21 -0.079 10.118 -2.004 1.00 74.41 N ATOM 326 CA VAL A 21 0.592 8.828 -1.802 1.00 32.14 C ATOM 327 C VAL A 21 -0.332 7.665 -2.217 1.00 33.24 C ATOM 328 O VAL A 21 -1.410 7.480 -1.656 1.00 73.32 O ATOM 329 CB VAL A 21 1.037 8.669 -0.321 1.00 73.03 C ATOM 330 CG1 VAL A 21 -0.094 9.043 0.626 1.00 0.43 C ATOM 331 CG2 VAL A 21 1.527 7.255 -0.030 1.00 32.24 C ATOM 0 H VAL A 21 -1.090 10.080 -1.874 1.00 74.41 H new ATOM 0 HA VAL A 21 1.481 8.802 -2.432 1.00 32.14 H new ATOM 0 HB VAL A 21 1.871 9.351 -0.157 1.00 73.03 H new ATOM 0 HG11 VAL A 21 0.240 8.924 1.657 1.00 0.43 H new ATOM 0 HG12 VAL A 21 -0.383 10.080 0.456 1.00 0.43 H new ATOM 0 HG13 VAL A 21 -0.950 8.393 0.445 1.00 0.43 H new ATOM 0 HG21 VAL A 21 1.829 7.183 1.015 1.00 32.24 H new ATOM 0 HG22 VAL A 21 0.724 6.544 -0.226 1.00 32.24 H new ATOM 0 HG23 VAL A 21 2.378 7.026 -0.671 1.00 32.24 H new ATOM 341 N ALA A 22 0.086 6.896 -3.221 1.00 33.13 N ATOM 342 CA ALA A 22 -0.743 5.811 -3.764 1.00 15.42 C ATOM 343 C ALA A 22 -0.211 4.424 -3.377 1.00 41.25 C ATOM 344 O ALA A 22 0.982 4.251 -3.144 1.00 4.21 O ATOM 345 CB ALA A 22 -0.832 5.933 -5.281 1.00 64.32 C ATOM 0 H ALA A 22 0.992 7.001 -3.677 1.00 33.13 H new ATOM 0 HA ALA A 22 -1.737 5.910 -3.328 1.00 15.42 H new ATOM 0 HB1 ALA A 22 -1.448 5.125 -5.675 1.00 64.32 H new ATOM 0 HB2 ALA A 22 -1.279 6.892 -5.543 1.00 64.32 H new ATOM 0 HB3 ALA A 22 0.168 5.870 -5.710 1.00 64.32 H new ATOM 351 N ILE A 23 -1.104 3.435 -3.321 1.00 3.23 N ATOM 352 CA ILE A 23 -0.721 2.050 -3.001 1.00 35.22 C ATOM 353 C ILE A 23 -1.282 1.055 -4.034 1.00 25.52 C ATOM 354 O ILE A 23 -2.351 1.277 -4.608 1.00 24.15 O ATOM 355 CB ILE A 23 -1.200 1.641 -1.582 1.00 13.43 C ATOM 356 CG1 ILE A 23 -2.723 1.830 -1.446 1.00 13.42 C ATOM 357 CG2 ILE A 23 -0.451 2.443 -0.514 1.00 21.54 C ATOM 358 CD1 ILE A 23 -3.261 1.486 -0.075 1.00 63.30 C ATOM 0 H ILE A 23 -2.101 3.563 -3.493 1.00 3.23 H new ATOM 0 HA ILE A 23 0.368 2.014 -3.031 1.00 35.22 H new ATOM 0 HB ILE A 23 -0.978 0.584 -1.433 1.00 13.43 H new ATOM 0 HG12 ILE A 23 -2.973 2.866 -1.675 1.00 13.42 H new ATOM 0 HG13 ILE A 23 -3.224 1.210 -2.189 1.00 13.42 H new ATOM 0 HG21 ILE A 23 -0.798 2.145 0.475 1.00 21.54 H new ATOM 0 HG22 ILE A 23 0.618 2.249 -0.597 1.00 21.54 H new ATOM 0 HG23 ILE A 23 -0.639 3.507 -0.659 1.00 21.54 H new ATOM 0 HD11 ILE A 23 -4.339 1.644 -0.057 1.00 63.30 H new ATOM 0 HD12 ILE A 23 -3.044 0.442 0.150 1.00 63.30 H new ATOM 0 HD13 ILE A 23 -2.788 2.124 0.672 1.00 63.30 H new ATOM 370 N ALA A 24 -0.543 -0.034 -4.270 1.00 71.21 N ATOM 371 CA ALA A 24 -0.954 -1.083 -5.219 1.00 3.32 C ATOM 372 C ALA A 24 -0.273 -2.425 -4.899 1.00 54.13 C ATOM 373 O ALA A 24 0.717 -2.462 -4.172 1.00 10.21 O ATOM 374 CB ALA A 24 -0.629 -0.659 -6.649 1.00 15.42 C ATOM 0 H ALA A 24 0.351 -0.216 -3.814 1.00 71.21 H new ATOM 0 HA ALA A 24 -2.031 -1.219 -5.122 1.00 3.32 H new ATOM 0 HB1 ALA A 24 -0.938 -1.443 -7.340 1.00 15.42 H new ATOM 0 HB2 ALA A 24 -1.161 0.263 -6.885 1.00 15.42 H new ATOM 0 HB3 ALA A 24 0.444 -0.493 -6.744 1.00 15.42 H new ATOM 380 N VAL A 25 -0.798 -3.525 -5.450 1.00 71.23 N ATOM 381 CA VAL A 25 -0.237 -4.867 -5.198 1.00 34.31 C ATOM 382 C VAL A 25 -0.046 -5.669 -6.501 1.00 70.12 C ATOM 383 O VAL A 25 -0.931 -5.700 -7.359 1.00 22.45 O ATOM 384 CB VAL A 25 -1.144 -5.686 -4.235 1.00 70.31 C ATOM 385 CG1 VAL A 25 -0.591 -7.096 -4.026 1.00 31.54 C ATOM 386 CG2 VAL A 25 -1.304 -4.967 -2.894 1.00 22.45 C ATOM 0 H VAL A 25 -1.607 -3.518 -6.071 1.00 71.23 H new ATOM 0 HA VAL A 25 0.738 -4.707 -4.737 1.00 34.31 H new ATOM 0 HB VAL A 25 -2.128 -5.773 -4.697 1.00 70.31 H new ATOM 0 HG11 VAL A 25 -1.244 -7.646 -3.349 1.00 31.54 H new ATOM 0 HG12 VAL A 25 -0.543 -7.614 -4.984 1.00 31.54 H new ATOM 0 HG13 VAL A 25 0.409 -7.035 -3.596 1.00 31.54 H new ATOM 0 HG21 VAL A 25 -1.942 -5.559 -2.238 1.00 22.45 H new ATOM 0 HG22 VAL A 25 -0.326 -4.839 -2.431 1.00 22.45 H new ATOM 0 HG23 VAL A 25 -1.758 -3.990 -3.057 1.00 22.45 H new ATOM 396 N ASP A 26 1.115 -6.316 -6.638 1.00 4.13 N ATOM 397 CA ASP A 26 1.382 -7.219 -7.771 1.00 15.43 C ATOM 398 C ASP A 26 1.328 -8.690 -7.325 1.00 63.31 C ATOM 399 O ASP A 26 1.659 -9.016 -6.183 1.00 53.41 O ATOM 400 CB ASP A 26 2.761 -6.948 -8.387 1.00 65.42 C ATOM 401 CG ASP A 26 2.946 -5.519 -8.858 1.00 22.13 C ATOM 402 OD1 ASP A 26 2.029 -4.963 -9.494 1.00 15.15 O ATOM 403 OD2 ASP A 26 4.025 -4.948 -8.613 1.00 53.41 O ATOM 0 H ASP A 26 1.889 -6.234 -5.979 1.00 4.13 H new ATOM 0 HA ASP A 26 0.609 -7.030 -8.516 1.00 15.43 H new ATOM 0 HB2 ASP A 26 3.530 -7.181 -7.651 1.00 65.42 H new ATOM 0 HB3 ASP A 26 2.912 -7.622 -9.230 1.00 65.42 H new ATOM 408 N GLN A 27 0.926 -9.576 -8.234 1.00 73.33 N ATOM 409 CA GLN A 27 0.924 -11.016 -7.959 1.00 33.12 C ATOM 410 C GLN A 27 2.124 -11.709 -8.638 1.00 51.25 C ATOM 411 O GLN A 27 2.347 -11.559 -9.843 1.00 41.10 O ATOM 412 CB GLN A 27 -0.401 -11.651 -8.422 1.00 3.04 C ATOM 413 CG GLN A 27 -0.641 -11.592 -9.930 1.00 23.12 C ATOM 414 CD GLN A 27 -1.950 -12.248 -10.343 1.00 74.02 C ATOM 415 OE1 GLN A 27 -2.986 -11.598 -10.435 1.00 21.12 O ATOM 416 NE2 GLN A 27 -1.921 -13.544 -10.579 1.00 74.35 N ATOM 0 H GLN A 27 0.598 -9.325 -9.167 1.00 73.33 H new ATOM 0 HA GLN A 27 1.018 -11.156 -6.882 1.00 33.12 H new ATOM 0 HB2 GLN A 27 -0.420 -12.694 -8.105 1.00 3.04 H new ATOM 0 HB3 GLN A 27 -1.226 -11.149 -7.916 1.00 3.04 H new ATOM 0 HG2 GLN A 27 -0.644 -10.551 -10.253 1.00 23.12 H new ATOM 0 HG3 GLN A 27 0.185 -12.083 -10.445 1.00 23.12 H new ATOM 0 HE21 GLN A 27 -1.044 -14.058 -10.494 1.00 74.35 H new ATOM 0 HE22 GLN A 27 -2.775 -14.033 -10.846 1.00 74.35 H new ATOM 425 N ILE A 28 2.907 -12.452 -7.857 1.00 52.33 N ATOM 426 CA ILE A 28 4.071 -13.173 -8.387 1.00 75.32 C ATOM 427 C ILE A 28 3.655 -14.492 -9.062 1.00 42.53 C ATOM 428 O ILE A 28 3.453 -15.510 -8.396 1.00 13.11 O ATOM 429 CB ILE A 28 5.119 -13.472 -7.282 1.00 41.22 C ATOM 430 CG1 ILE A 28 5.560 -12.170 -6.587 1.00 51.04 C ATOM 431 CG2 ILE A 28 6.330 -14.206 -7.869 1.00 11.31 C ATOM 432 CD1 ILE A 28 6.623 -12.370 -5.523 1.00 33.01 C ATOM 0 H ILE A 28 2.759 -12.573 -6.855 1.00 52.33 H new ATOM 0 HA ILE A 28 4.526 -12.518 -9.130 1.00 75.32 H new ATOM 0 HB ILE A 28 4.655 -14.119 -6.537 1.00 41.22 H new ATOM 0 HG12 ILE A 28 5.939 -11.478 -7.340 1.00 51.04 H new ATOM 0 HG13 ILE A 28 4.688 -11.700 -6.132 1.00 51.04 H new ATOM 0 HG21 ILE A 28 7.053 -14.406 -7.078 1.00 11.31 H new ATOM 0 HG22 ILE A 28 6.005 -15.148 -8.311 1.00 11.31 H new ATOM 0 HG23 ILE A 28 6.794 -13.586 -8.636 1.00 11.31 H new ATOM 0 HD11 ILE A 28 6.880 -11.408 -5.080 1.00 33.01 H new ATOM 0 HD12 ILE A 28 6.242 -13.035 -4.748 1.00 33.01 H new ATOM 0 HD13 ILE A 28 7.512 -12.811 -5.975 1.00 33.01 H new ATOM 444 N VAL A 29 3.523 -14.456 -10.385 1.00 71.32 N ATOM 445 CA VAL A 29 3.129 -15.636 -11.164 1.00 11.43 C ATOM 446 C VAL A 29 4.366 -16.468 -11.561 1.00 15.42 C ATOM 447 O VAL A 29 5.497 -15.977 -11.523 1.00 33.41 O ATOM 448 CB VAL A 29 2.354 -15.217 -12.443 1.00 74.55 C ATOM 449 CG1 VAL A 29 1.668 -16.416 -13.096 1.00 42.53 C ATOM 450 CG2 VAL A 29 1.341 -14.115 -12.129 1.00 43.23 C ATOM 0 H VAL A 29 3.683 -13.620 -10.947 1.00 71.32 H new ATOM 0 HA VAL A 29 2.478 -16.245 -10.537 1.00 11.43 H new ATOM 0 HB VAL A 29 3.079 -14.822 -13.155 1.00 74.55 H new ATOM 0 HG11 VAL A 29 1.135 -16.088 -13.988 1.00 42.53 H new ATOM 0 HG12 VAL A 29 2.417 -17.158 -13.373 1.00 42.53 H new ATOM 0 HG13 VAL A 29 0.962 -16.859 -12.393 1.00 42.53 H new ATOM 0 HG21 VAL A 29 0.811 -13.838 -13.040 1.00 43.23 H new ATOM 0 HG22 VAL A 29 0.627 -14.477 -11.389 1.00 43.23 H new ATOM 0 HG23 VAL A 29 1.862 -13.243 -11.734 1.00 43.23 H new ATOM 460 N GLY A 30 4.150 -17.723 -11.956 1.00 13.03 N ATOM 461 CA GLY A 30 5.257 -18.599 -12.347 1.00 3.22 C ATOM 462 C GLY A 30 6.014 -18.147 -13.603 1.00 74.44 C ATOM 463 O GLY A 30 6.951 -18.817 -14.042 1.00 63.42 O ATOM 0 H GLY A 30 3.227 -18.154 -12.014 1.00 13.03 H new ATOM 0 HA2 GLY A 30 5.961 -18.665 -11.518 1.00 3.22 H new ATOM 0 HA3 GLY A 30 4.867 -19.603 -12.515 1.00 3.22 H new ATOM 467 N LYS A 31 5.607 -17.021 -14.197 1.00 41.12 N ATOM 468 CA LYS A 31 6.290 -16.473 -15.381 1.00 10.22 C ATOM 469 C LYS A 31 6.617 -14.977 -15.213 1.00 25.34 C ATOM 470 O LYS A 31 7.042 -14.316 -16.165 1.00 35.02 O ATOM 471 CB LYS A 31 5.426 -16.687 -16.637 1.00 0.15 C ATOM 472 CG LYS A 31 5.181 -18.157 -16.971 1.00 64.43 C ATOM 473 CD LYS A 31 4.304 -18.331 -18.208 1.00 31.45 C ATOM 474 CE LYS A 31 4.948 -17.748 -19.463 1.00 20.44 C ATOM 475 NZ LYS A 31 4.091 -17.946 -20.663 1.00 63.33 N ATOM 0 H LYS A 31 4.810 -16.469 -13.881 1.00 41.12 H new ATOM 0 HA LYS A 31 7.234 -17.007 -15.494 1.00 10.22 H new ATOM 0 HB2 LYS A 31 4.466 -16.191 -16.495 1.00 0.15 H new ATOM 0 HB3 LYS A 31 5.911 -16.206 -17.487 1.00 0.15 H new ATOM 0 HG2 LYS A 31 6.137 -18.655 -17.133 1.00 64.43 H new ATOM 0 HG3 LYS A 31 4.707 -18.647 -16.120 1.00 64.43 H new ATOM 0 HD2 LYS A 31 4.106 -19.391 -18.364 1.00 31.45 H new ATOM 0 HD3 LYS A 31 3.341 -17.848 -18.039 1.00 31.45 H new ATOM 0 HE2 LYS A 31 5.130 -16.683 -19.318 1.00 20.44 H new ATOM 0 HE3 LYS A 31 5.918 -18.218 -19.627 1.00 20.44 H new ATOM 0 HZ1 LYS A 31 4.561 -17.537 -21.496 1.00 63.33 H new ATOM 0 HZ2 LYS A 31 3.938 -18.963 -20.816 1.00 63.33 H new ATOM 0 HZ3 LYS A 31 3.175 -17.476 -20.517 1.00 63.33 H new ATOM 489 N GLY A 32 6.442 -14.450 -14.000 1.00 73.25 N ATOM 490 CA GLY A 32 6.683 -13.033 -13.746 1.00 44.55 C ATOM 491 C GLY A 32 5.580 -12.385 -12.917 1.00 44.31 C ATOM 492 O GLY A 32 4.510 -12.966 -12.721 1.00 50.43 O ATOM 0 H GLY A 32 6.136 -14.981 -13.184 1.00 73.25 H new ATOM 0 HA2 GLY A 32 7.635 -12.918 -13.228 1.00 44.55 H new ATOM 0 HA3 GLY A 32 6.772 -12.508 -14.697 1.00 44.55 H new ATOM 496 N THR A 33 5.833 -11.174 -12.437 1.00 74.34 N ATOM 497 CA THR A 33 4.860 -10.439 -11.615 1.00 74.02 C ATOM 498 C THR A 33 3.893 -9.620 -12.479 1.00 65.40 C ATOM 499 O THR A 33 4.298 -8.968 -13.442 1.00 21.11 O ATOM 500 CB THR A 33 5.552 -9.481 -10.613 1.00 61.33 C ATOM 501 OG1 THR A 33 6.341 -8.504 -11.314 1.00 10.13 O ATOM 502 CG2 THR A 33 6.438 -10.254 -9.640 1.00 1.01 C ATOM 0 H THR A 33 6.706 -10.672 -12.600 1.00 74.34 H new ATOM 0 HA THR A 33 4.305 -11.197 -11.062 1.00 74.02 H new ATOM 0 HB THR A 33 4.773 -8.972 -10.046 1.00 61.33 H new ATOM 0 HG1 THR A 33 6.770 -7.905 -10.668 1.00 10.13 H new ATOM 0 HG21 THR A 33 6.912 -9.558 -8.948 1.00 1.01 H new ATOM 0 HG22 THR A 33 5.830 -10.965 -9.080 1.00 1.01 H new ATOM 0 HG23 THR A 33 7.206 -10.792 -10.196 1.00 1.01 H new ATOM 510 N SER A 34 2.612 -9.650 -12.123 1.00 14.34 N ATOM 511 CA SER A 34 1.580 -8.897 -12.854 1.00 64.01 C ATOM 512 C SER A 34 0.752 -8.032 -11.893 1.00 41.42 C ATOM 513 O SER A 34 0.414 -8.475 -10.796 1.00 55.22 O ATOM 514 CB SER A 34 0.650 -9.856 -13.612 1.00 2.42 C ATOM 515 OG SER A 34 -0.307 -9.142 -14.386 1.00 3.22 O ATOM 0 H SER A 34 2.256 -10.187 -11.332 1.00 14.34 H new ATOM 0 HA SER A 34 2.084 -8.246 -13.569 1.00 64.01 H new ATOM 0 HB2 SER A 34 1.241 -10.500 -14.263 1.00 2.42 H new ATOM 0 HB3 SER A 34 0.136 -10.505 -12.903 1.00 2.42 H new ATOM 0 HG SER A 34 -0.884 -9.777 -14.859 1.00 3.22 H new ATOM 521 N PRO A 35 0.411 -6.785 -12.286 1.00 20.11 N ATOM 522 CA PRO A 35 -0.366 -5.868 -11.427 1.00 64.52 C ATOM 523 C PRO A 35 -1.756 -6.418 -11.056 1.00 60.03 C ATOM 524 O PRO A 35 -2.627 -6.587 -11.917 1.00 52.43 O ATOM 525 CB PRO A 35 -0.489 -4.588 -12.275 1.00 71.15 C ATOM 526 CG PRO A 35 -0.219 -5.024 -13.678 1.00 52.12 C ATOM 527 CD PRO A 35 0.757 -6.163 -13.578 1.00 0.15 C ATOM 0 HA PRO A 35 0.126 -5.710 -10.467 1.00 64.52 H new ATOM 0 HB2 PRO A 35 -1.482 -4.148 -12.183 1.00 71.15 H new ATOM 0 HB3 PRO A 35 0.226 -3.831 -11.953 1.00 71.15 H new ATOM 0 HG2 PRO A 35 -1.138 -5.340 -14.172 1.00 52.12 H new ATOM 0 HG3 PRO A 35 0.195 -4.206 -14.268 1.00 52.12 H new ATOM 0 HD2 PRO A 35 0.646 -6.864 -14.406 1.00 0.15 H new ATOM 0 HD3 PRO A 35 1.789 -5.813 -13.594 1.00 0.15 H new ATOM 535 N LEU A 36 -1.954 -6.693 -9.768 1.00 13.41 N ATOM 536 CA LEU A 36 -3.218 -7.247 -9.269 1.00 55.53 C ATOM 537 C LEU A 36 -4.232 -6.135 -8.954 1.00 74.14 C ATOM 538 O LEU A 36 -5.436 -6.285 -9.185 1.00 44.23 O ATOM 539 CB LEU A 36 -2.956 -8.086 -8.010 1.00 44.33 C ATOM 540 CG LEU A 36 -4.183 -8.807 -7.431 1.00 74.01 C ATOM 541 CD1 LEU A 36 -4.694 -9.870 -8.399 1.00 2.40 C ATOM 542 CD2 LEU A 36 -3.855 -9.421 -6.074 1.00 12.55 C ATOM 0 H LEU A 36 -1.252 -6.541 -9.044 1.00 13.41 H new ATOM 0 HA LEU A 36 -3.642 -7.879 -10.049 1.00 55.53 H new ATOM 0 HB2 LEU A 36 -2.194 -8.830 -8.242 1.00 44.33 H new ATOM 0 HB3 LEU A 36 -2.541 -7.435 -7.240 1.00 44.33 H new ATOM 0 HG LEU A 36 -4.975 -8.072 -7.289 1.00 74.01 H new ATOM 0 HD11 LEU A 36 -5.563 -10.367 -7.968 1.00 2.40 H new ATOM 0 HD12 LEU A 36 -4.976 -9.399 -9.341 1.00 2.40 H new ATOM 0 HD13 LEU A 36 -3.909 -10.604 -8.581 1.00 2.40 H new ATOM 0 HD21 LEU A 36 -4.737 -9.927 -5.681 1.00 12.55 H new ATOM 0 HD22 LEU A 36 -3.044 -10.140 -6.187 1.00 12.55 H new ATOM 0 HD23 LEU A 36 -3.549 -8.635 -5.383 1.00 12.55 H new ATOM 554 N THR A 37 -3.739 -5.026 -8.399 1.00 25.20 N ATOM 555 CA THR A 37 -4.579 -3.858 -8.093 1.00 63.20 C ATOM 556 C THR A 37 -3.955 -2.573 -8.657 1.00 15.13 C ATOM 557 O THR A 37 -2.752 -2.518 -8.913 1.00 63.11 O ATOM 558 CB THR A 37 -4.783 -3.672 -6.566 1.00 70.45 C ATOM 559 OG1 THR A 37 -3.532 -3.364 -5.930 1.00 14.32 O ATOM 560 CG2 THR A 37 -5.385 -4.920 -5.925 1.00 73.11 C ATOM 0 H THR A 37 -2.757 -4.909 -8.150 1.00 25.20 H new ATOM 0 HA THR A 37 -5.546 -4.044 -8.560 1.00 63.20 H new ATOM 0 HB THR A 37 -5.479 -2.845 -6.427 1.00 70.45 H new ATOM 0 HG1 THR A 37 -3.540 -3.704 -5.011 1.00 14.32 H new ATOM 0 HG21 THR A 37 -5.514 -4.754 -4.855 1.00 73.11 H new ATOM 0 HG22 THR A 37 -6.353 -5.131 -6.379 1.00 73.11 H new ATOM 0 HG23 THR A 37 -4.718 -5.768 -6.083 1.00 73.11 H new ATOM 568 N SER A 38 -4.772 -1.539 -8.848 1.00 11.02 N ATOM 569 CA SER A 38 -4.278 -0.258 -9.378 1.00 5.35 C ATOM 570 C SER A 38 -3.782 0.664 -8.257 1.00 0.42 C ATOM 571 O SER A 38 -3.946 0.369 -7.072 1.00 60.35 O ATOM 572 CB SER A 38 -5.374 0.454 -10.182 1.00 32.11 C ATOM 573 OG SER A 38 -4.899 1.679 -10.720 1.00 1.23 O ATOM 0 H SER A 38 -5.772 -1.556 -8.647 1.00 11.02 H new ATOM 0 HA SER A 38 -3.437 -0.483 -10.034 1.00 5.35 H new ATOM 0 HB2 SER A 38 -5.716 -0.193 -10.990 1.00 32.11 H new ATOM 0 HB3 SER A 38 -6.234 0.644 -9.541 1.00 32.11 H new ATOM 0 HG SER A 38 -5.615 2.112 -11.229 1.00 1.23 H new ATOM 579 N TYR A 39 -3.185 1.788 -8.641 1.00 65.24 N ATOM 580 CA TYR A 39 -2.624 2.741 -7.677 1.00 23.10 C ATOM 581 C TYR A 39 -3.709 3.677 -7.122 1.00 63.11 C ATOM 582 O TYR A 39 -4.186 4.578 -7.816 1.00 23.13 O ATOM 583 CB TYR A 39 -1.499 3.556 -8.334 1.00 15.30 C ATOM 584 CG TYR A 39 -0.342 2.702 -8.824 1.00 63.32 C ATOM 585 CD1 TYR A 39 -0.343 2.161 -10.106 1.00 15.01 C ATOM 586 CD2 TYR A 39 0.746 2.427 -7.998 1.00 70.13 C ATOM 587 CE1 TYR A 39 0.702 1.374 -10.550 1.00 72.41 C ATOM 588 CE2 TYR A 39 1.794 1.642 -8.437 1.00 63.33 C ATOM 589 CZ TYR A 39 1.767 1.117 -9.713 1.00 51.24 C ATOM 590 OH TYR A 39 2.809 0.332 -10.154 1.00 12.32 O ATOM 0 H TYR A 39 -3.075 2.066 -9.616 1.00 65.24 H new ATOM 0 HA TYR A 39 -2.212 2.175 -6.841 1.00 23.10 H new ATOM 0 HB2 TYR A 39 -1.909 4.116 -9.175 1.00 15.30 H new ATOM 0 HB3 TYR A 39 -1.124 4.287 -7.617 1.00 15.30 H new ATOM 0 HD1 TYR A 39 -1.175 2.360 -10.765 1.00 15.01 H new ATOM 0 HD2 TYR A 39 0.770 2.834 -6.998 1.00 70.13 H new ATOM 0 HE1 TYR A 39 0.685 0.962 -11.548 1.00 72.41 H new ATOM 0 HE2 TYR A 39 2.631 1.440 -7.785 1.00 63.33 H new ATOM 0 HH TYR A 39 3.577 0.440 -9.554 1.00 12.32 H new ATOM 600 N PHE A 40 -4.105 3.443 -5.873 1.00 22.03 N ATOM 601 CA PHE A 40 -5.134 4.257 -5.214 1.00 63.42 C ATOM 602 C PHE A 40 -4.502 5.460 -4.486 1.00 14.04 C ATOM 603 O PHE A 40 -3.776 5.288 -3.506 1.00 43.11 O ATOM 604 CB PHE A 40 -5.924 3.390 -4.226 1.00 63.50 C ATOM 605 CG PHE A 40 -6.420 2.091 -4.819 1.00 43.34 C ATOM 606 CD1 PHE A 40 -7.438 2.084 -5.762 1.00 30.24 C ATOM 607 CD2 PHE A 40 -5.864 0.877 -4.432 1.00 30.14 C ATOM 608 CE1 PHE A 40 -7.889 0.896 -6.306 1.00 53.23 C ATOM 609 CE2 PHE A 40 -6.315 -0.313 -4.974 1.00 11.42 C ATOM 610 CZ PHE A 40 -7.328 -0.304 -5.912 1.00 0.53 C ATOM 0 H PHE A 40 -3.729 2.694 -5.291 1.00 22.03 H new ATOM 0 HA PHE A 40 -5.812 4.644 -5.974 1.00 63.42 H new ATOM 0 HB2 PHE A 40 -5.293 3.169 -3.365 1.00 63.50 H new ATOM 0 HB3 PHE A 40 -6.777 3.960 -3.858 1.00 63.50 H new ATOM 0 HD1 PHE A 40 -7.883 3.017 -6.074 1.00 30.24 H new ATOM 0 HD2 PHE A 40 -5.071 0.863 -3.699 1.00 30.14 H new ATOM 0 HE1 PHE A 40 -8.681 0.906 -7.040 1.00 53.23 H new ATOM 0 HE2 PHE A 40 -5.875 -1.249 -4.663 1.00 11.42 H new ATOM 0 HZ PHE A 40 -7.681 -1.232 -6.337 1.00 0.53 H new ATOM 620 N PHE A 41 -4.794 6.671 -4.964 1.00 61.32 N ATOM 621 CA PHE A 41 -4.133 7.891 -4.469 1.00 41.53 C ATOM 622 C PHE A 41 -4.762 8.443 -3.175 1.00 62.32 C ATOM 623 O PHE A 41 -5.830 9.052 -3.196 1.00 32.05 O ATOM 624 CB PHE A 41 -4.154 8.977 -5.554 1.00 34.43 C ATOM 625 CG PHE A 41 -3.319 8.642 -6.765 1.00 63.21 C ATOM 626 CD1 PHE A 41 -3.840 7.865 -7.793 1.00 32.14 C ATOM 627 CD2 PHE A 41 -2.013 9.101 -6.877 1.00 63.44 C ATOM 628 CE1 PHE A 41 -3.073 7.553 -8.901 1.00 13.01 C ATOM 629 CE2 PHE A 41 -1.245 8.790 -7.984 1.00 32.33 C ATOM 630 CZ PHE A 41 -1.775 8.018 -8.998 1.00 1.42 C ATOM 0 H PHE A 41 -5.485 6.838 -5.695 1.00 61.32 H new ATOM 0 HA PHE A 41 -3.107 7.611 -4.230 1.00 41.53 H new ATOM 0 HB2 PHE A 41 -5.184 9.143 -5.869 1.00 34.43 H new ATOM 0 HB3 PHE A 41 -3.797 9.913 -5.125 1.00 34.43 H new ATOM 0 HD1 PHE A 41 -4.855 7.501 -7.726 1.00 32.14 H new ATOM 0 HD2 PHE A 41 -1.592 9.708 -6.090 1.00 63.44 H new ATOM 0 HE1 PHE A 41 -3.489 6.945 -9.691 1.00 13.01 H new ATOM 0 HE2 PHE A 41 -0.230 9.151 -8.055 1.00 32.33 H new ATOM 0 HZ PHE A 41 -1.177 7.778 -9.865 1.00 1.42 H new ATOM 640 N TRP A 42 -4.075 8.234 -2.057 1.00 13.11 N ATOM 641 CA TRP A 42 -4.445 8.831 -0.767 1.00 44.40 C ATOM 642 C TRP A 42 -3.887 10.271 -0.663 1.00 65.20 C ATOM 643 O TRP A 42 -2.777 10.543 -1.127 1.00 64.33 O ATOM 644 CB TRP A 42 -3.896 7.933 0.363 1.00 62.54 C ATOM 645 CG TRP A 42 -3.929 8.530 1.744 1.00 62.20 C ATOM 646 CD1 TRP A 42 -2.898 9.148 2.387 1.00 61.21 C ATOM 647 CD2 TRP A 42 -5.037 8.549 2.660 1.00 62.33 C ATOM 648 NE1 TRP A 42 -3.285 9.551 3.632 1.00 53.31 N ATOM 649 CE2 TRP A 42 -4.594 9.200 3.827 1.00 73.10 C ATOM 650 CE3 TRP A 42 -6.356 8.086 2.605 1.00 42.22 C ATOM 651 CZ2 TRP A 42 -5.418 9.397 4.929 1.00 3.32 C ATOM 652 CZ3 TRP A 42 -7.176 8.284 3.701 1.00 34.30 C ATOM 653 CH2 TRP A 42 -6.704 8.935 4.849 1.00 55.14 C ATOM 0 H TRP A 42 -3.243 7.645 -2.014 1.00 13.11 H new ATOM 0 HA TRP A 42 -5.529 8.896 -0.678 1.00 44.40 H new ATOM 0 HB2 TRP A 42 -4.467 7.005 0.375 1.00 62.54 H new ATOM 0 HB3 TRP A 42 -2.865 7.670 0.125 1.00 62.54 H new ATOM 0 HD1 TRP A 42 -1.913 9.298 1.970 1.00 61.21 H new ATOM 0 HE1 TRP A 42 -2.695 10.035 4.308 1.00 53.31 H new ATOM 0 HE3 TRP A 42 -6.727 7.584 1.724 1.00 42.22 H new ATOM 0 HZ2 TRP A 42 -5.057 9.896 5.816 1.00 3.32 H new ATOM 0 HZ3 TRP A 42 -8.196 7.931 3.672 1.00 34.30 H new ATOM 0 HH2 TRP A 42 -7.369 9.075 5.688 1.00 55.14 H new ATOM 664 N PRO A 43 -4.644 11.233 -0.078 1.00 54.32 N ATOM 665 CA PRO A 43 -5.993 11.021 0.468 1.00 3.32 C ATOM 666 C PRO A 43 -7.131 11.382 -0.506 1.00 2.31 C ATOM 667 O PRO A 43 -8.300 11.416 -0.115 1.00 12.34 O ATOM 668 CB PRO A 43 -5.985 11.982 1.657 1.00 51.14 C ATOM 669 CG PRO A 43 -5.170 13.151 1.189 1.00 55.11 C ATOM 670 CD PRO A 43 -4.208 12.626 0.138 1.00 72.32 C ATOM 0 HA PRO A 43 -6.184 9.974 0.703 1.00 3.32 H new ATOM 0 HB2 PRO A 43 -6.996 12.286 1.928 1.00 51.14 H new ATOM 0 HB3 PRO A 43 -5.544 11.518 2.539 1.00 51.14 H new ATOM 0 HG2 PRO A 43 -5.812 13.927 0.772 1.00 55.11 H new ATOM 0 HG3 PRO A 43 -4.626 13.600 2.020 1.00 55.11 H new ATOM 0 HD2 PRO A 43 -4.264 13.209 -0.781 1.00 72.32 H new ATOM 0 HD3 PRO A 43 -3.175 12.672 0.483 1.00 72.32 H new ATOM 678 N ARG A 44 -6.790 11.640 -1.769 1.00 2.13 N ATOM 679 CA ARG A 44 -7.787 12.046 -2.775 1.00 50.31 C ATOM 680 C ARG A 44 -8.798 10.923 -3.063 1.00 61.25 C ATOM 681 O ARG A 44 -9.907 11.172 -3.541 1.00 24.22 O ATOM 682 CB ARG A 44 -7.086 12.468 -4.074 1.00 64.50 C ATOM 683 CG ARG A 44 -6.108 13.627 -3.895 1.00 44.11 C ATOM 684 CD ARG A 44 -5.560 14.125 -5.227 1.00 70.04 C ATOM 685 NE ARG A 44 -6.624 14.593 -6.115 1.00 62.14 N ATOM 686 CZ ARG A 44 -6.428 15.334 -7.172 1.00 32.14 C ATOM 687 NH1 ARG A 44 -5.237 15.721 -7.499 1.00 40.03 N ATOM 688 NH2 ARG A 44 -7.435 15.684 -7.903 1.00 22.52 N ATOM 0 H ARG A 44 -5.836 11.577 -2.124 1.00 2.13 H new ATOM 0 HA ARG A 44 -8.339 12.893 -2.368 1.00 50.31 H new ATOM 0 HB2 ARG A 44 -6.550 11.611 -4.482 1.00 64.50 H new ATOM 0 HB3 ARG A 44 -7.840 12.751 -4.808 1.00 64.50 H new ATOM 0 HG2 ARG A 44 -6.609 14.447 -3.380 1.00 44.11 H new ATOM 0 HG3 ARG A 44 -5.282 13.309 -3.260 1.00 44.11 H new ATOM 0 HD2 ARG A 44 -4.854 14.936 -5.048 1.00 70.04 H new ATOM 0 HD3 ARG A 44 -5.007 13.322 -5.715 1.00 70.04 H new ATOM 0 HE ARG A 44 -7.582 14.323 -5.894 1.00 62.14 H new ATOM 0 HH11 ARG A 44 -4.437 15.447 -6.928 1.00 40.03 H new ATOM 0 HH12 ARG A 44 -5.098 16.300 -8.327 1.00 40.03 H new ATOM 0 HH21 ARG A 44 -8.376 15.381 -7.653 1.00 22.52 H new ATOM 0 HH22 ARG A 44 -7.288 16.263 -8.730 1.00 22.52 H new ATOM 702 N ALA A 45 -8.401 9.692 -2.778 1.00 22.33 N ATOM 703 CA ALA A 45 -9.267 8.526 -2.953 1.00 13.51 C ATOM 704 C ALA A 45 -9.088 7.535 -1.796 1.00 54.04 C ATOM 705 O ALA A 45 -8.048 7.524 -1.130 1.00 51.14 O ATOM 706 CB ALA A 45 -8.968 7.849 -4.288 1.00 33.11 C ATOM 0 H ALA A 45 -7.473 9.469 -2.419 1.00 22.33 H new ATOM 0 HA ALA A 45 -10.304 8.861 -2.952 1.00 13.51 H new ATOM 0 HB1 ALA A 45 -9.617 6.982 -4.410 1.00 33.11 H new ATOM 0 HB2 ALA A 45 -9.146 8.553 -5.101 1.00 33.11 H new ATOM 0 HB3 ALA A 45 -7.927 7.528 -4.308 1.00 33.11 H new ATOM 712 N ASP A 46 -10.105 6.712 -1.559 1.00 74.21 N ATOM 713 CA ASP A 46 -10.058 5.704 -0.498 1.00 63.12 C ATOM 714 C ASP A 46 -8.996 4.634 -0.803 1.00 73.54 C ATOM 715 O ASP A 46 -9.309 3.567 -1.327 1.00 43.13 O ATOM 716 CB ASP A 46 -11.434 5.051 -0.338 1.00 73.32 C ATOM 717 CG ASP A 46 -12.536 6.074 -0.142 1.00 43.12 C ATOM 718 OD1 ASP A 46 -13.079 6.569 -1.154 1.00 51.34 O ATOM 719 OD2 ASP A 46 -12.867 6.386 1.018 1.00 43.30 O ATOM 0 H ASP A 46 -10.977 6.722 -2.089 1.00 74.21 H new ATOM 0 HA ASP A 46 -9.784 6.198 0.434 1.00 63.12 H new ATOM 0 HB2 ASP A 46 -11.653 4.449 -1.220 1.00 73.32 H new ATOM 0 HB3 ASP A 46 -11.415 4.372 0.515 1.00 73.32 H new ATOM 724 N ALA A 47 -7.739 4.945 -0.503 1.00 0.24 N ATOM 725 CA ALA A 47 -6.615 4.057 -0.819 1.00 34.13 C ATOM 726 C ALA A 47 -6.757 2.670 -0.173 1.00 22.43 C ATOM 727 O ALA A 47 -6.889 1.658 -0.866 1.00 60.15 O ATOM 728 CB ALA A 47 -5.303 4.707 -0.396 1.00 64.22 C ATOM 0 H ALA A 47 -7.467 5.811 -0.038 1.00 0.24 H new ATOM 0 HA ALA A 47 -6.618 3.904 -1.898 1.00 34.13 H new ATOM 0 HB1 ALA A 47 -4.474 4.041 -0.634 1.00 64.22 H new ATOM 0 HB2 ALA A 47 -5.176 5.650 -0.928 1.00 64.22 H new ATOM 0 HB3 ALA A 47 -5.320 4.896 0.677 1.00 64.22 H new ATOM 734 N TRP A 48 -6.737 2.632 1.154 1.00 24.13 N ATOM 735 CA TRP A 48 -6.772 1.364 1.892 1.00 74.55 C ATOM 736 C TRP A 48 -8.113 0.633 1.699 1.00 32.45 C ATOM 737 O TRP A 48 -8.147 -0.584 1.507 1.00 51.32 O ATOM 738 CB TRP A 48 -6.519 1.623 3.385 1.00 71.20 C ATOM 739 CG TRP A 48 -6.156 0.390 4.157 1.00 3.12 C ATOM 740 CD1 TRP A 48 -4.958 -0.261 4.129 1.00 63.14 C ATOM 741 CD2 TRP A 48 -6.986 -0.333 5.075 1.00 13.34 C ATOM 742 NE1 TRP A 48 -4.992 -1.346 4.966 1.00 33.24 N ATOM 743 CE2 TRP A 48 -6.226 -1.415 5.557 1.00 3.34 C ATOM 744 CE3 TRP A 48 -8.297 -0.177 5.529 1.00 30.10 C ATOM 745 CZ2 TRP A 48 -6.732 -2.331 6.476 1.00 25.53 C ATOM 746 CZ3 TRP A 48 -8.799 -1.085 6.441 1.00 44.14 C ATOM 747 CH2 TRP A 48 -8.019 -2.152 6.904 1.00 10.11 C ATOM 0 H TRP A 48 -6.697 3.462 1.746 1.00 24.13 H new ATOM 0 HA TRP A 48 -5.986 0.721 1.496 1.00 74.55 H new ATOM 0 HB2 TRP A 48 -5.717 2.354 3.487 1.00 71.20 H new ATOM 0 HB3 TRP A 48 -7.413 2.066 3.824 1.00 71.20 H new ATOM 0 HD1 TRP A 48 -4.107 0.035 3.534 1.00 63.14 H new ATOM 0 HE1 TRP A 48 -4.223 -1.997 5.123 1.00 33.24 H new ATOM 0 HE3 TRP A 48 -8.908 0.639 5.173 1.00 30.10 H new ATOM 0 HZ2 TRP A 48 -6.131 -3.152 6.837 1.00 25.53 H new ATOM 0 HZ3 TRP A 48 -9.810 -0.970 6.803 1.00 44.14 H new ATOM 0 HH2 TRP A 48 -8.442 -2.848 7.613 1.00 10.11 H new ATOM 758 N GLN A 49 -9.213 1.386 1.744 1.00 55.54 N ATOM 759 CA GLN A 49 -10.555 0.815 1.568 1.00 62.40 C ATOM 760 C GLN A 49 -10.718 0.135 0.194 1.00 55.42 C ATOM 761 O GLN A 49 -11.219 -0.986 0.107 1.00 34.21 O ATOM 762 CB GLN A 49 -11.621 1.904 1.755 1.00 50.14 C ATOM 763 CG GLN A 49 -13.063 1.400 1.665 1.00 74.32 C ATOM 764 CD GLN A 49 -13.412 0.356 2.720 1.00 71.25 C ATOM 765 OE1 GLN A 49 -14.239 -0.519 2.491 1.00 2.44 O ATOM 766 NE2 GLN A 49 -12.805 0.444 3.888 1.00 53.32 N ATOM 0 H GLN A 49 -9.204 2.394 1.901 1.00 55.54 H new ATOM 0 HA GLN A 49 -10.688 0.046 2.329 1.00 62.40 H new ATOM 0 HB2 GLN A 49 -11.474 2.376 2.726 1.00 50.14 H new ATOM 0 HB3 GLN A 49 -11.471 2.676 1.000 1.00 50.14 H new ATOM 0 HG2 GLN A 49 -13.742 2.247 1.765 1.00 74.32 H new ATOM 0 HG3 GLN A 49 -13.229 0.974 0.676 1.00 74.32 H new ATOM 0 HE21 GLN A 49 -12.120 1.182 4.053 1.00 53.32 H new ATOM 0 HE22 GLN A 49 -13.020 -0.226 4.626 1.00 53.32 H new ATOM 775 N GLN A 50 -10.294 0.810 -0.875 1.00 31.13 N ATOM 776 CA GLN A 50 -10.363 0.223 -2.221 1.00 52.40 C ATOM 777 C GLN A 50 -9.411 -0.975 -2.363 1.00 75.02 C ATOM 778 O GLN A 50 -9.748 -1.973 -2.999 1.00 2.22 O ATOM 779 CB GLN A 50 -10.045 1.265 -3.301 1.00 10.52 C ATOM 780 CG GLN A 50 -11.105 2.353 -3.452 1.00 42.42 C ATOM 781 CD GLN A 50 -10.775 3.343 -4.557 1.00 53.04 C ATOM 782 OE1 GLN A 50 -11.155 3.161 -5.709 1.00 61.01 O ATOM 783 NE2 GLN A 50 -10.059 4.394 -4.218 1.00 23.03 N ATOM 0 H GLN A 50 -9.903 1.752 -0.841 1.00 31.13 H new ATOM 0 HA GLN A 50 -11.386 -0.127 -2.361 1.00 52.40 H new ATOM 0 HB2 GLN A 50 -9.089 1.734 -3.067 1.00 10.52 H new ATOM 0 HB3 GLN A 50 -9.924 0.756 -4.257 1.00 10.52 H new ATOM 0 HG2 GLN A 50 -12.069 1.889 -3.661 1.00 42.42 H new ATOM 0 HG3 GLN A 50 -11.207 2.889 -2.508 1.00 42.42 H new ATOM 0 HE21 GLN A 50 -9.759 4.516 -3.251 1.00 23.03 H new ATOM 0 HE22 GLN A 50 -9.805 5.086 -4.922 1.00 23.03 H new ATOM 792 N LEU A 51 -8.221 -0.872 -1.767 1.00 54.55 N ATOM 793 CA LEU A 51 -7.238 -1.962 -1.816 1.00 4.52 C ATOM 794 C LEU A 51 -7.800 -3.253 -1.199 1.00 11.40 C ATOM 795 O LEU A 51 -7.760 -4.320 -1.820 1.00 14.05 O ATOM 796 CB LEU A 51 -5.946 -1.558 -1.092 1.00 32.12 C ATOM 797 CG LEU A 51 -4.823 -2.611 -1.127 1.00 15.15 C ATOM 798 CD1 LEU A 51 -4.402 -2.911 -2.564 1.00 11.24 C ATOM 799 CD2 LEU A 51 -3.626 -2.154 -0.298 1.00 25.41 C ATOM 0 H LEU A 51 -7.914 -0.050 -1.247 1.00 54.55 H new ATOM 0 HA LEU A 51 -7.014 -2.154 -2.865 1.00 4.52 H new ATOM 0 HB2 LEU A 51 -5.572 -0.635 -1.536 1.00 32.12 H new ATOM 0 HB3 LEU A 51 -6.184 -1.338 -0.051 1.00 32.12 H new ATOM 0 HG LEU A 51 -5.210 -3.531 -0.689 1.00 15.15 H new ATOM 0 HD11 LEU A 51 -3.608 -3.657 -2.562 1.00 11.24 H new ATOM 0 HD12 LEU A 51 -5.257 -3.293 -3.122 1.00 11.24 H new ATOM 0 HD13 LEU A 51 -4.040 -1.997 -3.035 1.00 11.24 H new ATOM 0 HD21 LEU A 51 -2.845 -2.913 -0.337 1.00 25.41 H new ATOM 0 HD22 LEU A 51 -3.241 -1.217 -0.700 1.00 25.41 H new ATOM 0 HD23 LEU A 51 -3.935 -2.005 0.736 1.00 25.41 H new ATOM 811 N LYS A 52 -8.326 -3.154 0.023 1.00 40.21 N ATOM 812 CA LYS A 52 -8.902 -4.319 0.701 1.00 34.30 C ATOM 813 C LYS A 52 -10.124 -4.854 -0.056 1.00 31.01 C ATOM 814 O LYS A 52 -10.255 -6.059 -0.252 1.00 63.02 O ATOM 815 CB LYS A 52 -9.271 -3.984 2.158 1.00 1.12 C ATOM 816 CG LYS A 52 -10.356 -2.921 2.309 1.00 35.33 C ATOM 817 CD LYS A 52 -10.631 -2.592 3.774 1.00 23.25 C ATOM 818 CE LYS A 52 -11.137 -3.806 4.552 1.00 51.43 C ATOM 819 NZ LYS A 52 -12.459 -4.275 4.057 1.00 33.34 N ATOM 0 H LYS A 52 -8.366 -2.288 0.560 1.00 40.21 H new ATOM 0 HA LYS A 52 -8.143 -5.101 0.713 1.00 34.30 H new ATOM 0 HB2 LYS A 52 -9.602 -4.896 2.654 1.00 1.12 H new ATOM 0 HB3 LYS A 52 -8.374 -3.646 2.678 1.00 1.12 H new ATOM 0 HG2 LYS A 52 -10.052 -2.015 1.784 1.00 35.33 H new ATOM 0 HG3 LYS A 52 -11.274 -3.270 1.837 1.00 35.33 H new ATOM 0 HD2 LYS A 52 -9.718 -2.219 4.239 1.00 23.25 H new ATOM 0 HD3 LYS A 52 -11.368 -1.791 3.833 1.00 23.25 H new ATOM 0 HE2 LYS A 52 -10.412 -4.616 4.472 1.00 51.43 H new ATOM 0 HE3 LYS A 52 -11.215 -3.552 5.609 1.00 51.43 H new ATOM 0 HZ1 LYS A 52 -12.812 -5.033 4.675 1.00 33.34 H new ATOM 0 HZ2 LYS A 52 -13.133 -3.483 4.062 1.00 33.34 H new ATOM 0 HZ3 LYS A 52 -12.358 -4.637 3.087 1.00 33.34 H new ATOM 833 N ASP A 53 -11.000 -3.952 -0.508 1.00 45.41 N ATOM 834 CA ASP A 53 -12.200 -4.348 -1.250 1.00 34.31 C ATOM 835 C ASP A 53 -11.839 -5.140 -2.520 1.00 11.03 C ATOM 836 O ASP A 53 -12.484 -6.144 -2.842 1.00 14.00 O ATOM 837 CB ASP A 53 -13.038 -3.115 -1.599 1.00 33.45 C ATOM 838 CG ASP A 53 -14.347 -3.479 -2.275 1.00 3.44 C ATOM 839 OD1 ASP A 53 -15.174 -4.177 -1.644 1.00 21.51 O ATOM 840 OD2 ASP A 53 -14.563 -3.072 -3.435 1.00 34.20 O ATOM 0 H ASP A 53 -10.901 -2.946 -0.374 1.00 45.41 H new ATOM 0 HA ASP A 53 -12.792 -5.004 -0.611 1.00 34.31 H new ATOM 0 HB2 ASP A 53 -13.246 -2.551 -0.690 1.00 33.45 H new ATOM 0 HB3 ASP A 53 -12.463 -2.462 -2.255 1.00 33.45 H new ATOM 845 N GLU A 54 -10.808 -4.689 -3.234 1.00 50.03 N ATOM 846 CA GLU A 54 -10.284 -5.428 -4.389 1.00 43.25 C ATOM 847 C GLU A 54 -9.825 -6.838 -3.987 1.00 42.32 C ATOM 848 O GLU A 54 -10.246 -7.831 -4.581 1.00 61.13 O ATOM 849 CB GLU A 54 -9.114 -4.665 -5.035 1.00 21.40 C ATOM 850 CG GLU A 54 -9.543 -3.613 -6.054 1.00 62.30 C ATOM 851 CD GLU A 54 -10.231 -4.225 -7.267 1.00 12.14 C ATOM 852 OE1 GLU A 54 -9.552 -4.917 -8.062 1.00 11.31 O ATOM 853 OE2 GLU A 54 -11.454 -4.040 -7.427 1.00 31.12 O ATOM 0 H GLU A 54 -10.318 -3.817 -3.036 1.00 50.03 H new ATOM 0 HA GLU A 54 -11.093 -5.522 -5.113 1.00 43.25 H new ATOM 0 HB2 GLU A 54 -8.533 -4.180 -4.250 1.00 21.40 H new ATOM 0 HB3 GLU A 54 -8.453 -5.381 -5.524 1.00 21.40 H new ATOM 0 HG2 GLU A 54 -10.218 -2.903 -5.577 1.00 62.30 H new ATOM 0 HG3 GLU A 54 -8.669 -3.050 -6.381 1.00 62.30 H new ATOM 860 N LEU A 55 -8.969 -6.914 -2.970 1.00 73.03 N ATOM 861 CA LEU A 55 -8.442 -8.198 -2.491 1.00 1.23 C ATOM 862 C LEU A 55 -9.571 -9.133 -2.017 1.00 21.41 C ATOM 863 O LEU A 55 -9.527 -10.339 -2.253 1.00 53.11 O ATOM 864 CB LEU A 55 -7.434 -7.960 -1.357 1.00 74.25 C ATOM 865 CG LEU A 55 -6.203 -7.118 -1.740 1.00 54.45 C ATOM 866 CD1 LEU A 55 -5.320 -6.860 -0.521 1.00 51.03 C ATOM 867 CD2 LEU A 55 -5.406 -7.804 -2.851 1.00 4.02 C ATOM 0 H LEU A 55 -8.623 -6.102 -2.459 1.00 73.03 H new ATOM 0 HA LEU A 55 -7.938 -8.687 -3.324 1.00 1.23 H new ATOM 0 HB2 LEU A 55 -7.949 -7.467 -0.532 1.00 74.25 H new ATOM 0 HB3 LEU A 55 -7.092 -8.927 -0.987 1.00 74.25 H new ATOM 0 HG LEU A 55 -6.552 -6.155 -2.114 1.00 54.45 H new ATOM 0 HD11 LEU A 55 -4.457 -6.263 -0.817 1.00 51.03 H new ATOM 0 HD12 LEU A 55 -5.892 -6.322 0.235 1.00 51.03 H new ATOM 0 HD13 LEU A 55 -4.980 -7.811 -0.110 1.00 51.03 H new ATOM 0 HD21 LEU A 55 -4.540 -7.194 -3.108 1.00 4.02 H new ATOM 0 HD22 LEU A 55 -5.071 -8.783 -2.507 1.00 4.02 H new ATOM 0 HD23 LEU A 55 -6.038 -7.925 -3.731 1.00 4.02 H new ATOM 879 N GLU A 56 -10.583 -8.565 -1.364 1.00 14.13 N ATOM 880 CA GLU A 56 -11.731 -9.344 -0.879 1.00 0.02 C ATOM 881 C GLU A 56 -12.643 -9.784 -2.039 1.00 1.41 C ATOM 882 O GLU A 56 -13.268 -10.843 -1.982 1.00 62.24 O ATOM 883 CB GLU A 56 -12.535 -8.525 0.142 1.00 53.44 C ATOM 884 CG GLU A 56 -11.744 -8.161 1.396 1.00 45.01 C ATOM 885 CD GLU A 56 -12.516 -7.250 2.340 1.00 54.04 C ATOM 886 OE1 GLU A 56 -12.598 -6.036 2.067 1.00 75.12 O ATOM 887 OE2 GLU A 56 -13.038 -7.740 3.365 1.00 4.52 O ATOM 0 H GLU A 56 -10.635 -7.568 -1.156 1.00 14.13 H new ATOM 0 HA GLU A 56 -11.345 -10.241 -0.396 1.00 0.02 H new ATOM 0 HB2 GLU A 56 -12.885 -7.609 -0.335 1.00 53.44 H new ATOM 0 HB3 GLU A 56 -13.420 -9.091 0.433 1.00 53.44 H new ATOM 0 HG2 GLU A 56 -11.470 -9.074 1.924 1.00 45.01 H new ATOM 0 HG3 GLU A 56 -10.816 -7.670 1.104 1.00 45.01 H new ATOM 894 N ALA A 57 -12.723 -8.960 -3.083 1.00 40.44 N ATOM 895 CA ALA A 57 -13.469 -9.319 -4.298 1.00 65.32 C ATOM 896 C ALA A 57 -12.813 -10.507 -5.011 1.00 22.20 C ATOM 897 O ALA A 57 -13.488 -11.388 -5.549 1.00 64.34 O ATOM 898 CB ALA A 57 -13.556 -8.123 -5.241 1.00 54.53 C ATOM 0 H ALA A 57 -12.283 -8.040 -3.116 1.00 40.44 H new ATOM 0 HA ALA A 57 -14.477 -9.610 -4.003 1.00 65.32 H new ATOM 0 HB1 ALA A 57 -14.111 -8.405 -6.136 1.00 54.53 H new ATOM 0 HB2 ALA A 57 -14.068 -7.301 -4.740 1.00 54.53 H new ATOM 0 HB3 ALA A 57 -12.551 -7.807 -5.522 1.00 54.53 H new ATOM 904 N LYS A 58 -11.484 -10.522 -5.003 1.00 41.35 N ATOM 905 CA LYS A 58 -10.714 -11.617 -5.593 1.00 73.42 C ATOM 906 C LYS A 58 -10.679 -12.817 -4.630 1.00 74.33 C ATOM 907 O LYS A 58 -9.708 -13.025 -3.908 1.00 53.54 O ATOM 908 CB LYS A 58 -9.296 -11.129 -5.923 1.00 3.31 C ATOM 909 CG LYS A 58 -9.277 -9.800 -6.676 1.00 34.13 C ATOM 910 CD LYS A 58 -7.863 -9.248 -6.843 1.00 65.20 C ATOM 911 CE LYS A 58 -7.877 -7.780 -7.271 1.00 71.14 C ATOM 912 NZ LYS A 58 -8.767 -7.530 -8.438 1.00 52.54 N ATOM 0 H LYS A 58 -10.912 -9.784 -4.592 1.00 41.35 H new ATOM 0 HA LYS A 58 -11.191 -11.942 -6.518 1.00 73.42 H new ATOM 0 HB2 LYS A 58 -8.731 -11.023 -4.997 1.00 3.31 H new ATOM 0 HB3 LYS A 58 -8.788 -11.886 -6.521 1.00 3.31 H new ATOM 0 HG2 LYS A 58 -9.730 -9.935 -7.658 1.00 34.13 H new ATOM 0 HG3 LYS A 58 -9.887 -9.073 -6.141 1.00 34.13 H new ATOM 0 HD2 LYS A 58 -7.320 -9.348 -5.903 1.00 65.20 H new ATOM 0 HD3 LYS A 58 -7.327 -9.839 -7.586 1.00 65.20 H new ATOM 0 HE2 LYS A 58 -8.203 -7.164 -6.432 1.00 71.14 H new ATOM 0 HE3 LYS A 58 -6.862 -7.469 -7.520 1.00 71.14 H new ATOM 0 HZ1 LYS A 58 -8.900 -6.506 -8.560 1.00 52.54 H new ATOM 0 HZ2 LYS A 58 -8.334 -7.928 -9.296 1.00 52.54 H new ATOM 0 HZ3 LYS A 58 -9.689 -7.982 -8.274 1.00 52.54 H new ATOM 926 N HIS A 59 -11.763 -13.593 -4.628 1.00 70.44 N ATOM 927 CA HIS A 59 -11.973 -14.681 -3.651 1.00 40.15 C ATOM 928 C HIS A 59 -10.799 -15.680 -3.554 1.00 1.03 C ATOM 929 O HIS A 59 -10.686 -16.401 -2.565 1.00 64.35 O ATOM 930 CB HIS A 59 -13.263 -15.439 -3.982 1.00 54.22 C ATOM 931 CG HIS A 59 -13.250 -16.088 -5.332 1.00 44.31 C ATOM 932 ND1 HIS A 59 -12.872 -17.398 -5.536 1.00 41.14 N ATOM 933 CD2 HIS A 59 -13.579 -15.603 -6.551 1.00 63.03 C ATOM 934 CE1 HIS A 59 -12.967 -17.687 -6.817 1.00 12.52 C ATOM 935 NE2 HIS A 59 -13.392 -16.619 -7.453 1.00 14.03 N ATOM 0 H HIS A 59 -12.524 -13.492 -5.300 1.00 70.44 H new ATOM 0 HA HIS A 59 -12.045 -14.197 -2.677 1.00 40.15 H new ATOM 0 HB2 HIS A 59 -13.430 -16.203 -3.223 1.00 54.22 H new ATOM 0 HB3 HIS A 59 -14.104 -14.748 -3.929 1.00 54.22 H new ATOM 0 HD2 HIS A 59 -13.924 -14.604 -6.772 1.00 63.03 H new ATOM 0 HE1 HIS A 59 -12.735 -18.640 -7.268 1.00 12.52 H new ATOM 0 HE2 HIS A 59 -13.557 -16.556 -8.458 1.00 14.03 H new ATOM 944 N TRP A 60 -9.938 -15.732 -4.569 1.00 2.11 N ATOM 945 CA TRP A 60 -8.802 -16.669 -4.562 1.00 1.03 C ATOM 946 C TRP A 60 -7.646 -16.174 -3.662 1.00 33.32 C ATOM 947 O TRP A 60 -6.642 -16.872 -3.474 1.00 22.02 O ATOM 948 CB TRP A 60 -8.317 -16.944 -5.998 1.00 63.10 C ATOM 949 CG TRP A 60 -7.949 -15.720 -6.788 1.00 71.23 C ATOM 950 CD1 TRP A 60 -8.806 -14.849 -7.395 1.00 3.02 C ATOM 951 CD2 TRP A 60 -6.625 -15.254 -7.085 1.00 41.05 C ATOM 952 NE1 TRP A 60 -8.100 -13.862 -8.037 1.00 43.11 N ATOM 953 CE2 TRP A 60 -6.759 -14.090 -7.863 1.00 1.23 C ATOM 954 CE3 TRP A 60 -5.341 -15.706 -6.762 1.00 5.24 C ATOM 955 CZ2 TRP A 60 -5.658 -13.372 -8.324 1.00 65.52 C ATOM 956 CZ3 TRP A 60 -4.249 -14.993 -7.221 1.00 43.05 C ATOM 957 CH2 TRP A 60 -4.413 -13.837 -7.994 1.00 71.30 C ATOM 0 H TRP A 60 -9.999 -15.145 -5.401 1.00 2.11 H new ATOM 0 HA TRP A 60 -9.153 -17.608 -4.134 1.00 1.03 H new ATOM 0 HB2 TRP A 60 -7.450 -17.603 -5.953 1.00 63.10 H new ATOM 0 HB3 TRP A 60 -9.099 -17.482 -6.533 1.00 63.10 H new ATOM 0 HD1 TRP A 60 -9.883 -14.925 -7.374 1.00 3.02 H new ATOM 0 HE1 TRP A 60 -8.507 -13.085 -8.559 1.00 43.11 H new ATOM 0 HE3 TRP A 60 -5.205 -16.596 -6.165 1.00 5.24 H new ATOM 0 HZ2 TRP A 60 -5.782 -12.480 -8.921 1.00 65.52 H new ATOM 0 HZ3 TRP A 60 -3.253 -15.333 -6.979 1.00 43.05 H new ATOM 0 HH2 TRP A 60 -3.540 -13.301 -8.337 1.00 71.30 H new ATOM 968 N ILE A 61 -7.808 -14.975 -3.105 1.00 35.41 N ATOM 969 CA ILE A 61 -6.873 -14.418 -2.115 1.00 62.21 C ATOM 970 C ILE A 61 -7.211 -14.928 -0.697 1.00 63.33 C ATOM 971 O ILE A 61 -8.383 -15.136 -0.363 1.00 23.11 O ATOM 972 CB ILE A 61 -6.907 -12.856 -2.145 1.00 51.43 C ATOM 973 CG1 ILE A 61 -6.034 -12.299 -3.286 1.00 52.24 C ATOM 974 CG2 ILE A 61 -6.474 -12.254 -0.812 1.00 60.25 C ATOM 975 CD1 ILE A 61 -6.446 -12.755 -4.667 1.00 41.12 C ATOM 0 H ILE A 61 -8.590 -14.358 -3.324 1.00 35.41 H new ATOM 0 HA ILE A 61 -5.868 -14.751 -2.374 1.00 62.21 H new ATOM 0 HB ILE A 61 -7.942 -12.567 -2.326 1.00 51.43 H new ATOM 0 HG12 ILE A 61 -6.065 -11.210 -3.252 1.00 52.24 H new ATOM 0 HG13 ILE A 61 -4.999 -12.594 -3.113 1.00 52.24 H new ATOM 0 HG21 ILE A 61 -6.511 -11.166 -0.875 1.00 60.25 H new ATOM 0 HG22 ILE A 61 -7.145 -12.595 -0.024 1.00 60.25 H new ATOM 0 HG23 ILE A 61 -5.456 -12.569 -0.584 1.00 60.25 H new ATOM 0 HD11 ILE A 61 -5.779 -12.316 -5.409 1.00 41.12 H new ATOM 0 HD12 ILE A 61 -6.387 -13.842 -4.724 1.00 41.12 H new ATOM 0 HD13 ILE A 61 -7.469 -12.436 -4.865 1.00 41.12 H new ATOM 987 N ALA A 62 -6.191 -15.131 0.134 1.00 35.31 N ATOM 988 CA ALA A 62 -6.399 -15.622 1.501 1.00 21.45 C ATOM 989 C ALA A 62 -6.333 -14.480 2.522 1.00 65.53 C ATOM 990 O ALA A 62 -5.688 -13.459 2.289 1.00 13.34 O ATOM 991 CB ALA A 62 -5.372 -16.693 1.845 1.00 61.24 C ATOM 0 H ALA A 62 -5.215 -14.965 -0.111 1.00 35.31 H new ATOM 0 HA ALA A 62 -7.397 -16.059 1.547 1.00 21.45 H new ATOM 0 HB1 ALA A 62 -5.541 -17.046 2.862 1.00 61.24 H new ATOM 0 HB2 ALA A 62 -5.470 -17.527 1.151 1.00 61.24 H new ATOM 0 HB3 ALA A 62 -4.369 -16.273 1.769 1.00 61.24 H new ATOM 997 N GLU A 63 -6.998 -14.662 3.660 1.00 1.20 N ATOM 998 CA GLU A 63 -7.004 -13.651 4.720 1.00 73.05 C ATOM 999 C GLU A 63 -5.574 -13.268 5.141 1.00 53.22 C ATOM 1000 O GLU A 63 -5.248 -12.087 5.264 1.00 10.50 O ATOM 1001 CB GLU A 63 -7.794 -14.157 5.935 1.00 51.24 C ATOM 1002 CG GLU A 63 -7.885 -13.146 7.074 1.00 23.14 C ATOM 1003 CD GLU A 63 -8.703 -13.656 8.249 1.00 2.22 C ATOM 1004 OE1 GLU A 63 -9.948 -13.561 8.203 1.00 5.15 O ATOM 1005 OE2 GLU A 63 -8.112 -14.163 9.224 1.00 33.43 O ATOM 0 H GLU A 63 -7.540 -15.499 3.874 1.00 1.20 H new ATOM 0 HA GLU A 63 -7.489 -12.758 4.325 1.00 73.05 H new ATOM 0 HB2 GLU A 63 -8.802 -14.423 5.616 1.00 51.24 H new ATOM 0 HB3 GLU A 63 -7.326 -15.069 6.307 1.00 51.24 H new ATOM 0 HG2 GLU A 63 -6.880 -12.900 7.416 1.00 23.14 H new ATOM 0 HG3 GLU A 63 -8.330 -12.224 6.701 1.00 23.14 H new ATOM 1012 N ALA A 64 -4.725 -14.275 5.334 1.00 24.03 N ATOM 1013 CA ALA A 64 -3.345 -14.061 5.794 1.00 64.32 C ATOM 1014 C ALA A 64 -2.545 -13.112 4.879 1.00 41.40 C ATOM 1015 O ALA A 64 -1.931 -12.152 5.357 1.00 0.22 O ATOM 1016 CB ALA A 64 -2.619 -15.396 5.919 1.00 70.35 C ATOM 0 H ALA A 64 -4.966 -15.254 5.179 1.00 24.03 H new ATOM 0 HA ALA A 64 -3.412 -13.581 6.770 1.00 64.32 H new ATOM 0 HB1 ALA A 64 -1.598 -15.224 6.260 1.00 70.35 H new ATOM 0 HB2 ALA A 64 -3.141 -16.028 6.638 1.00 70.35 H new ATOM 0 HB3 ALA A 64 -2.599 -15.891 4.948 1.00 70.35 H new ATOM 1022 N ASP A 65 -2.559 -13.366 3.568 1.00 52.42 N ATOM 1023 CA ASP A 65 -1.770 -12.555 2.631 1.00 41.03 C ATOM 1024 C ASP A 65 -2.377 -11.158 2.404 1.00 61.54 C ATOM 1025 O ASP A 65 -1.652 -10.156 2.438 1.00 42.13 O ATOM 1026 CB ASP A 65 -1.550 -13.291 1.299 1.00 53.13 C ATOM 1027 CG ASP A 65 -2.756 -14.079 0.837 1.00 53.44 C ATOM 1028 OD1 ASP A 65 -3.681 -13.480 0.265 1.00 73.24 O ATOM 1029 OD2 ASP A 65 -2.772 -15.307 1.043 1.00 71.14 O ATOM 0 H ASP A 65 -3.099 -14.115 3.134 1.00 52.42 H new ATOM 0 HA ASP A 65 -0.796 -12.402 3.096 1.00 41.03 H new ATOM 0 HB2 ASP A 65 -1.285 -12.564 0.531 1.00 53.13 H new ATOM 0 HB3 ASP A 65 -0.702 -13.968 1.403 1.00 53.13 H new ATOM 1034 N ARG A 66 -3.692 -11.074 2.177 1.00 52.21 N ATOM 1035 CA ARG A 66 -4.333 -9.763 2.011 1.00 42.13 C ATOM 1036 C ARG A 66 -4.139 -8.883 3.257 1.00 5.14 C ATOM 1037 O ARG A 66 -3.767 -7.718 3.146 1.00 23.23 O ATOM 1038 CB ARG A 66 -5.829 -9.883 1.666 1.00 62.35 C ATOM 1039 CG ARG A 66 -6.697 -10.531 2.741 1.00 51.54 C ATOM 1040 CD ARG A 66 -8.178 -10.475 2.366 1.00 53.22 C ATOM 1041 NE ARG A 66 -9.027 -11.164 3.337 1.00 0.34 N ATOM 1042 CZ ARG A 66 -9.615 -10.581 4.350 1.00 24.42 C ATOM 1043 NH1 ARG A 66 -9.464 -9.313 4.559 1.00 54.34 N ATOM 1044 NH2 ARG A 66 -10.370 -11.265 5.144 1.00 44.41 N ATOM 0 H ARG A 66 -4.320 -11.874 2.105 1.00 52.21 H new ATOM 0 HA ARG A 66 -3.839 -9.282 1.167 1.00 42.13 H new ATOM 0 HB2 ARG A 66 -6.218 -8.886 1.460 1.00 62.35 H new ATOM 0 HB3 ARG A 66 -5.928 -10.460 0.746 1.00 62.35 H new ATOM 0 HG2 ARG A 66 -6.394 -11.569 2.880 1.00 51.54 H new ATOM 0 HG3 ARG A 66 -6.541 -10.023 3.693 1.00 51.54 H new ATOM 0 HD2 ARG A 66 -8.491 -9.434 2.289 1.00 53.22 H new ATOM 0 HD3 ARG A 66 -8.318 -10.924 1.383 1.00 53.22 H new ATOM 0 HE ARG A 66 -9.170 -12.167 3.216 1.00 0.34 H new ATOM 0 HH11 ARG A 66 -8.882 -8.758 3.931 1.00 54.34 H new ATOM 0 HH12 ARG A 66 -9.927 -8.868 5.352 1.00 54.34 H new ATOM 0 HH21 ARG A 66 -10.509 -12.262 4.982 1.00 44.41 H new ATOM 0 HH22 ARG A 66 -10.827 -10.808 5.933 1.00 44.41 H new ATOM 1058 N ILE A 67 -4.360 -9.444 4.447 1.00 60.33 N ATOM 1059 CA ILE A 67 -4.158 -8.695 5.692 1.00 74.24 C ATOM 1060 C ILE A 67 -2.684 -8.288 5.858 1.00 3.33 C ATOM 1061 O ILE A 67 -2.386 -7.198 6.341 1.00 44.41 O ATOM 1062 CB ILE A 67 -4.632 -9.500 6.933 1.00 41.44 C ATOM 1063 CG1 ILE A 67 -6.152 -9.731 6.872 1.00 13.41 C ATOM 1064 CG2 ILE A 67 -4.248 -8.793 8.233 1.00 52.34 C ATOM 1065 CD1 ILE A 67 -6.968 -8.455 6.809 1.00 20.40 C ATOM 0 H ILE A 67 -4.676 -10.405 4.577 1.00 60.33 H new ATOM 0 HA ILE A 67 -4.766 -7.793 5.623 1.00 74.24 H new ATOM 0 HB ILE A 67 -4.129 -10.467 6.919 1.00 41.44 H new ATOM 0 HG12 ILE A 67 -6.382 -10.340 5.998 1.00 13.41 H new ATOM 0 HG13 ILE A 67 -6.458 -10.303 7.748 1.00 13.41 H new ATOM 0 HG21 ILE A 67 -4.594 -9.381 9.083 1.00 52.34 H new ATOM 0 HG22 ILE A 67 -3.164 -8.686 8.283 1.00 52.34 H new ATOM 0 HG23 ILE A 67 -4.712 -7.807 8.262 1.00 52.34 H new ATOM 0 HD11 ILE A 67 -8.029 -8.703 6.768 1.00 20.40 H new ATOM 0 HD12 ILE A 67 -6.770 -7.852 7.695 1.00 20.40 H new ATOM 0 HD13 ILE A 67 -6.693 -7.891 5.918 1.00 20.40 H new ATOM 1077 N ASN A 68 -1.767 -9.160 5.430 1.00 31.23 N ATOM 1078 CA ASN A 68 -0.331 -8.855 5.468 1.00 21.12 C ATOM 1079 C ASN A 68 -0.021 -7.555 4.704 1.00 1.41 C ATOM 1080 O ASN A 68 0.513 -6.600 5.276 1.00 3.15 O ATOM 1081 CB ASN A 68 0.474 -10.019 4.881 1.00 34.21 C ATOM 1082 CG ASN A 68 1.964 -9.734 4.823 1.00 40.10 C ATOM 1083 OD1 ASN A 68 2.700 -9.995 5.769 1.00 73.54 O ATOM 1084 ND2 ASN A 68 2.423 -9.201 3.707 1.00 53.12 N ATOM 0 H ASN A 68 -1.991 -10.081 5.054 1.00 31.23 H new ATOM 0 HA ASN A 68 -0.042 -8.714 6.509 1.00 21.12 H new ATOM 0 HB2 ASN A 68 0.303 -10.912 5.481 1.00 34.21 H new ATOM 0 HB3 ASN A 68 0.111 -10.236 3.876 1.00 34.21 H new ATOM 0 HD21 ASN A 68 3.417 -8.994 3.612 1.00 53.12 H new ATOM 0 HD22 ASN A 68 1.784 -8.996 2.939 1.00 53.12 H new ATOM 1091 N VAL A 69 -0.373 -7.520 3.416 1.00 50.41 N ATOM 1092 CA VAL A 69 -0.134 -6.330 2.589 1.00 34.11 C ATOM 1093 C VAL A 69 -0.982 -5.135 3.060 1.00 50.02 C ATOM 1094 O VAL A 69 -0.567 -3.985 2.933 1.00 4.23 O ATOM 1095 CB VAL A 69 -0.398 -6.601 1.083 1.00 73.51 C ATOM 1096 CG1 VAL A 69 0.534 -7.695 0.564 1.00 3.33 C ATOM 1097 CG2 VAL A 69 -1.859 -6.971 0.832 1.00 25.31 C ATOM 0 H VAL A 69 -0.821 -8.294 2.925 1.00 50.41 H new ATOM 0 HA VAL A 69 0.920 -6.081 2.709 1.00 34.11 H new ATOM 0 HB VAL A 69 -0.191 -5.681 0.536 1.00 73.51 H new ATOM 0 HG11 VAL A 69 0.335 -7.872 -0.493 1.00 3.33 H new ATOM 0 HG12 VAL A 69 1.570 -7.381 0.690 1.00 3.33 H new ATOM 0 HG13 VAL A 69 0.363 -8.614 1.124 1.00 3.33 H new ATOM 0 HG21 VAL A 69 -2.010 -7.154 -0.232 1.00 25.31 H new ATOM 0 HG22 VAL A 69 -2.108 -7.871 1.394 1.00 25.31 H new ATOM 0 HG23 VAL A 69 -2.502 -6.152 1.154 1.00 25.31 H new ATOM 1107 N LEU A 70 -2.159 -5.414 3.621 1.00 41.42 N ATOM 1108 CA LEU A 70 -3.021 -4.357 4.162 1.00 3.11 C ATOM 1109 C LEU A 70 -2.394 -3.677 5.388 1.00 22.32 C ATOM 1110 O LEU A 70 -2.455 -2.457 5.515 1.00 42.14 O ATOM 1111 CB LEU A 70 -4.410 -4.908 4.523 1.00 72.15 C ATOM 1112 CG LEU A 70 -5.325 -5.228 3.329 1.00 21.32 C ATOM 1113 CD1 LEU A 70 -6.647 -5.829 3.807 1.00 20.34 C ATOM 1114 CD2 LEU A 70 -5.565 -3.976 2.488 1.00 33.22 C ATOM 0 H LEU A 70 -2.538 -6.357 3.714 1.00 41.42 H new ATOM 0 HA LEU A 70 -3.130 -3.607 3.379 1.00 3.11 H new ATOM 0 HB2 LEU A 70 -4.280 -5.816 5.112 1.00 72.15 H new ATOM 0 HB3 LEU A 70 -4.915 -4.183 5.161 1.00 72.15 H new ATOM 0 HG LEU A 70 -4.828 -5.968 2.702 1.00 21.32 H new ATOM 0 HD11 LEU A 70 -7.279 -6.048 2.947 1.00 20.34 H new ATOM 0 HD12 LEU A 70 -6.451 -6.750 4.357 1.00 20.34 H new ATOM 0 HD13 LEU A 70 -7.155 -5.119 4.459 1.00 20.34 H new ATOM 0 HD21 LEU A 70 -6.214 -4.221 1.648 1.00 33.22 H new ATOM 0 HD22 LEU A 70 -6.040 -3.211 3.102 1.00 33.22 H new ATOM 0 HD23 LEU A 70 -4.612 -3.601 2.113 1.00 33.22 H new ATOM 1126 N ASN A 71 -1.798 -4.460 6.290 1.00 40.10 N ATOM 1127 CA ASN A 71 -1.177 -3.899 7.499 1.00 52.30 C ATOM 1128 C ASN A 71 0.004 -2.984 7.154 1.00 10.54 C ATOM 1129 O ASN A 71 0.045 -1.829 7.579 1.00 70.22 O ATOM 1130 CB ASN A 71 -0.724 -5.010 8.456 1.00 1.45 C ATOM 1131 CG ASN A 71 -1.893 -5.793 9.019 1.00 24.43 C ATOM 1132 OD1 ASN A 71 -3.017 -5.301 9.073 1.00 23.33 O ATOM 1133 ND2 ASN A 71 -1.638 -7.003 9.469 1.00 72.11 N ATOM 0 H ASN A 71 -1.731 -5.475 6.211 1.00 40.10 H new ATOM 0 HA ASN A 71 -1.936 -3.298 7.999 1.00 52.30 H new ATOM 0 HB2 ASN A 71 -0.054 -5.689 7.930 1.00 1.45 H new ATOM 0 HB3 ASN A 71 -0.154 -4.571 9.275 1.00 1.45 H new ATOM 0 HD21 ASN A 71 -2.386 -7.563 9.878 1.00 72.11 H new ATOM 0 HD22 ASN A 71 -0.693 -7.381 9.408 1.00 72.11 H new ATOM 1140 N GLN A 72 0.947 -3.490 6.364 1.00 13.33 N ATOM 1141 CA GLN A 72 2.096 -2.683 5.935 1.00 13.23 C ATOM 1142 C GLN A 72 1.640 -1.451 5.126 1.00 52.14 C ATOM 1143 O GLN A 72 2.253 -0.385 5.202 1.00 34.12 O ATOM 1144 CB GLN A 72 3.091 -3.544 5.137 1.00 30.03 C ATOM 1145 CG GLN A 72 2.464 -4.325 3.989 1.00 53.33 C ATOM 1146 CD GLN A 72 3.440 -5.266 3.291 1.00 53.42 C ATOM 1147 OE1 GLN A 72 3.313 -5.540 2.105 1.00 31.34 O ATOM 1148 NE2 GLN A 72 4.417 -5.779 4.017 1.00 31.41 N ATOM 0 H GLN A 72 0.943 -4.446 6.008 1.00 13.33 H new ATOM 0 HA GLN A 72 2.607 -2.315 6.824 1.00 13.23 H new ATOM 0 HB2 GLN A 72 3.873 -2.898 4.737 1.00 30.03 H new ATOM 0 HB3 GLN A 72 3.574 -4.246 5.817 1.00 30.03 H new ATOM 0 HG2 GLN A 72 1.623 -4.904 4.370 1.00 53.33 H new ATOM 0 HG3 GLN A 72 2.063 -3.623 3.258 1.00 53.33 H new ATOM 0 HE21 GLN A 72 4.501 -5.535 5.004 1.00 31.41 H new ATOM 0 HE22 GLN A 72 5.087 -6.419 3.591 1.00 31.41 H new ATOM 1157 N ALA A 73 0.549 -1.598 4.369 1.00 71.24 N ATOM 1158 CA ALA A 73 -0.068 -0.460 3.672 1.00 62.23 C ATOM 1159 C ALA A 73 -0.648 0.554 4.672 1.00 42.02 C ATOM 1160 O ALA A 73 -0.496 1.765 4.506 1.00 22.25 O ATOM 1161 CB ALA A 73 -1.158 -0.943 2.720 1.00 21.45 C ATOM 0 H ALA A 73 0.075 -2.489 4.222 1.00 71.24 H new ATOM 0 HA ALA A 73 0.709 0.039 3.093 1.00 62.23 H new ATOM 0 HB1 ALA A 73 -1.604 -0.087 2.213 1.00 21.45 H new ATOM 0 HB2 ALA A 73 -0.724 -1.617 1.981 1.00 21.45 H new ATOM 0 HB3 ALA A 73 -1.927 -1.471 3.285 1.00 21.45 H new ATOM 1167 N THR A 74 -1.313 0.044 5.711 1.00 32.24 N ATOM 1168 CA THR A 74 -1.878 0.891 6.770 1.00 74.12 C ATOM 1169 C THR A 74 -0.787 1.728 7.443 1.00 4.41 C ATOM 1170 O THR A 74 -0.966 2.920 7.699 1.00 10.24 O ATOM 1171 CB THR A 74 -2.593 0.050 7.862 1.00 25.43 C ATOM 1172 OG1 THR A 74 -3.603 -0.784 7.275 1.00 30.30 O ATOM 1173 CG2 THR A 74 -3.238 0.946 8.916 1.00 41.42 C ATOM 0 H THR A 74 -1.475 -0.954 5.844 1.00 32.24 H new ATOM 0 HA THR A 74 -2.606 1.544 6.288 1.00 74.12 H new ATOM 0 HB THR A 74 -1.837 -0.572 8.341 1.00 25.43 H new ATOM 0 HG1 THR A 74 -3.177 -1.507 6.769 1.00 30.30 H new ATOM 0 HG21 THR A 74 -3.731 0.328 9.667 1.00 41.42 H new ATOM 0 HG22 THR A 74 -2.471 1.556 9.394 1.00 41.42 H new ATOM 0 HG23 THR A 74 -3.974 1.595 8.441 1.00 41.42 H new ATOM 1181 N GLU A 75 0.346 1.085 7.724 1.00 22.04 N ATOM 1182 CA GLU A 75 1.486 1.756 8.354 1.00 45.43 C ATOM 1183 C GLU A 75 1.981 2.938 7.506 1.00 11.33 C ATOM 1184 O GLU A 75 2.171 4.040 8.018 1.00 71.41 O ATOM 1185 CB GLU A 75 2.635 0.763 8.584 1.00 22.00 C ATOM 1186 CG GLU A 75 2.253 -0.450 9.431 1.00 4.35 C ATOM 1187 CD GLU A 75 3.463 -1.259 9.878 1.00 15.43 C ATOM 1188 OE1 GLU A 75 4.024 -2.014 9.059 1.00 31.12 O ATOM 1189 OE2 GLU A 75 3.865 -1.129 11.057 1.00 64.12 O ATOM 0 H GLU A 75 0.500 0.097 7.525 1.00 22.04 H new ATOM 0 HA GLU A 75 1.148 2.143 9.315 1.00 45.43 H new ATOM 0 HB2 GLU A 75 3.000 0.417 7.617 1.00 22.00 H new ATOM 0 HB3 GLU A 75 3.460 1.285 9.068 1.00 22.00 H new ATOM 0 HG2 GLU A 75 1.700 -0.115 10.309 1.00 4.35 H new ATOM 0 HG3 GLU A 75 1.583 -1.092 8.858 1.00 4.35 H new ATOM 1196 N VAL A 76 2.175 2.704 6.208 1.00 33.52 N ATOM 1197 CA VAL A 76 2.642 3.753 5.289 1.00 50.31 C ATOM 1198 C VAL A 76 1.651 4.931 5.216 1.00 61.54 C ATOM 1199 O VAL A 76 2.051 6.095 5.286 1.00 24.02 O ATOM 1200 CB VAL A 76 2.875 3.191 3.863 1.00 72.34 C ATOM 1201 CG1 VAL A 76 3.341 4.295 2.912 1.00 65.32 C ATOM 1202 CG2 VAL A 76 3.879 2.038 3.890 1.00 23.03 C ATOM 0 H VAL A 76 2.017 1.799 5.765 1.00 33.52 H new ATOM 0 HA VAL A 76 3.589 4.117 5.689 1.00 50.31 H new ATOM 0 HB VAL A 76 1.925 2.804 3.493 1.00 72.34 H new ATOM 0 HG11 VAL A 76 3.498 3.877 1.918 1.00 65.32 H new ATOM 0 HG12 VAL A 76 2.582 5.076 2.861 1.00 65.32 H new ATOM 0 HG13 VAL A 76 4.275 4.720 3.278 1.00 65.32 H new ATOM 0 HG21 VAL A 76 4.026 1.660 2.878 1.00 23.03 H new ATOM 0 HG22 VAL A 76 4.830 2.393 4.287 1.00 23.03 H new ATOM 0 HG23 VAL A 76 3.497 1.238 4.524 1.00 23.03 H new ATOM 1212 N ILE A 77 0.362 4.622 5.079 1.00 12.54 N ATOM 1213 CA ILE A 77 -0.683 5.655 5.031 1.00 15.42 C ATOM 1214 C ILE A 77 -0.697 6.505 6.315 1.00 50.31 C ATOM 1215 O ILE A 77 -0.678 7.738 6.259 1.00 45.52 O ATOM 1216 CB ILE A 77 -2.084 5.024 4.805 1.00 53.54 C ATOM 1217 CG1 ILE A 77 -2.129 4.311 3.441 1.00 42.40 C ATOM 1218 CG2 ILE A 77 -3.184 6.084 4.899 1.00 1.21 C ATOM 1219 CD1 ILE A 77 -3.451 3.631 3.147 1.00 4.33 C ATOM 0 H ILE A 77 0.012 3.667 4.999 1.00 12.54 H new ATOM 0 HA ILE A 77 -0.449 6.306 4.189 1.00 15.42 H new ATOM 0 HB ILE A 77 -2.262 4.289 5.590 1.00 53.54 H new ATOM 0 HG12 ILE A 77 -1.923 5.038 2.655 1.00 42.40 H new ATOM 0 HG13 ILE A 77 -1.333 3.567 3.404 1.00 42.40 H new ATOM 0 HG21 ILE A 77 -4.155 5.616 4.737 1.00 1.21 H new ATOM 0 HG22 ILE A 77 -3.163 6.544 5.887 1.00 1.21 H new ATOM 0 HG23 ILE A 77 -3.018 6.848 4.140 1.00 1.21 H new ATOM 0 HD11 ILE A 77 -3.404 3.152 2.169 1.00 4.33 H new ATOM 0 HD12 ILE A 77 -3.651 2.879 3.910 1.00 4.33 H new ATOM 0 HD13 ILE A 77 -4.250 4.372 3.150 1.00 4.33 H new ATOM 1231 N ASN A 78 -0.720 5.842 7.469 1.00 12.24 N ATOM 1232 CA ASN A 78 -0.678 6.543 8.759 1.00 14.11 C ATOM 1233 C ASN A 78 0.651 7.294 8.945 1.00 73.02 C ATOM 1234 O ASN A 78 0.693 8.342 9.583 1.00 73.40 O ATOM 1235 CB ASN A 78 -0.888 5.561 9.917 1.00 14.52 C ATOM 1236 CG ASN A 78 -2.265 4.914 9.899 1.00 11.24 C ATOM 1237 OD1 ASN A 78 -3.236 5.489 9.412 1.00 14.40 O ATOM 1238 ND2 ASN A 78 -2.369 3.722 10.452 1.00 14.04 N ATOM 0 H ASN A 78 -0.767 4.826 7.542 1.00 12.24 H new ATOM 0 HA ASN A 78 -1.488 7.273 8.761 1.00 14.11 H new ATOM 0 HB2 ASN A 78 -0.126 4.783 9.871 1.00 14.52 H new ATOM 0 HB3 ASN A 78 -0.751 6.086 10.862 1.00 14.52 H new ATOM 0 HD21 ASN A 78 -3.274 3.252 10.484 1.00 14.04 H new ATOM 0 HD22 ASN A 78 -1.545 3.270 10.848 1.00 14.04 H new ATOM 1245 N PHE A 79 1.729 6.746 8.383 1.00 41.23 N ATOM 1246 CA PHE A 79 3.048 7.390 8.419 1.00 31.50 C ATOM 1247 C PHE A 79 3.024 8.722 7.651 1.00 31.20 C ATOM 1248 O PHE A 79 3.493 9.745 8.147 1.00 24.14 O ATOM 1249 CB PHE A 79 4.105 6.445 7.824 1.00 53.35 C ATOM 1250 CG PHE A 79 5.520 6.968 7.884 1.00 3.01 C ATOM 1251 CD1 PHE A 79 6.243 6.919 9.069 1.00 11.32 C ATOM 1252 CD2 PHE A 79 6.131 7.496 6.755 1.00 54.41 C ATOM 1253 CE1 PHE A 79 7.541 7.389 9.125 1.00 4.22 C ATOM 1254 CE2 PHE A 79 7.430 7.965 6.807 1.00 32.33 C ATOM 1255 CZ PHE A 79 8.136 7.912 7.993 1.00 42.34 C ATOM 0 H PHE A 79 1.716 5.851 7.893 1.00 41.23 H new ATOM 0 HA PHE A 79 3.306 7.603 9.456 1.00 31.50 H new ATOM 0 HB2 PHE A 79 4.061 5.493 8.353 1.00 53.35 H new ATOM 0 HB3 PHE A 79 3.850 6.244 6.784 1.00 53.35 H new ATOM 0 HD1 PHE A 79 5.785 6.509 9.957 1.00 11.32 H new ATOM 0 HD2 PHE A 79 5.585 7.541 5.825 1.00 54.41 H new ATOM 0 HE1 PHE A 79 8.091 7.348 10.054 1.00 4.22 H new ATOM 0 HE2 PHE A 79 7.893 8.373 5.921 1.00 32.33 H new ATOM 0 HZ PHE A 79 9.151 8.279 8.035 1.00 42.34 H new ATOM 1265 N TRP A 80 2.459 8.699 6.445 1.00 10.50 N ATOM 1266 CA TRP A 80 2.314 9.909 5.623 1.00 33.35 C ATOM 1267 C TRP A 80 1.503 10.981 6.368 1.00 74.30 C ATOM 1268 O TRP A 80 1.907 12.145 6.449 1.00 32.40 O ATOM 1269 CB TRP A 80 1.628 9.556 4.293 1.00 14.13 C ATOM 1270 CG TRP A 80 1.543 10.705 3.328 1.00 25.23 C ATOM 1271 CD1 TRP A 80 2.511 11.107 2.452 1.00 31.45 C ATOM 1272 CD2 TRP A 80 0.435 11.595 3.135 1.00 25.51 C ATOM 1273 NE1 TRP A 80 2.073 12.186 1.725 1.00 72.22 N ATOM 1274 CE2 TRP A 80 0.802 12.505 2.125 1.00 13.13 C ATOM 1275 CE3 TRP A 80 -0.833 11.708 3.714 1.00 72.02 C ATOM 1276 CZ2 TRP A 80 -0.049 13.515 1.684 1.00 24.34 C ATOM 1277 CZ3 TRP A 80 -1.678 12.711 3.275 1.00 61.42 C ATOM 1278 CH2 TRP A 80 -1.283 13.601 2.269 1.00 51.10 C ATOM 0 H TRP A 80 2.091 7.853 6.010 1.00 10.50 H new ATOM 0 HA TRP A 80 3.306 10.312 5.420 1.00 33.35 H new ATOM 0 HB2 TRP A 80 2.172 8.737 3.821 1.00 14.13 H new ATOM 0 HB3 TRP A 80 0.621 9.193 4.500 1.00 14.13 H new ATOM 0 HD1 TRP A 80 3.481 10.643 2.347 1.00 31.45 H new ATOM 0 HE1 TRP A 80 2.607 12.671 1.004 1.00 72.22 H new ATOM 0 HE3 TRP A 80 -1.146 11.025 4.489 1.00 72.02 H new ATOM 0 HZ2 TRP A 80 0.253 14.204 0.910 1.00 24.34 H new ATOM 0 HZ3 TRP A 80 -2.659 12.809 3.716 1.00 61.42 H new ATOM 0 HH2 TRP A 80 -1.967 14.372 1.948 1.00 51.10 H new ATOM 1289 N GLN A 81 0.359 10.573 6.917 1.00 63.30 N ATOM 1290 CA GLN A 81 -0.490 11.471 7.710 1.00 63.34 C ATOM 1291 C GLN A 81 0.269 11.988 8.948 1.00 73.53 C ATOM 1292 O GLN A 81 0.176 13.164 9.308 1.00 54.22 O ATOM 1293 CB GLN A 81 -1.776 10.738 8.132 1.00 3.55 C ATOM 1294 CG GLN A 81 -2.800 11.623 8.841 1.00 15.24 C ATOM 1295 CD GLN A 81 -4.084 10.882 9.189 1.00 72.11 C ATOM 1296 OE1 GLN A 81 -4.479 9.936 8.511 1.00 51.43 O ATOM 1297 NE2 GLN A 81 -4.749 11.303 10.245 1.00 32.01 N ATOM 0 H GLN A 81 -0.005 9.624 6.828 1.00 63.30 H new ATOM 0 HA GLN A 81 -0.759 12.331 7.096 1.00 63.34 H new ATOM 0 HB2 GLN A 81 -2.240 10.303 7.247 1.00 3.55 H new ATOM 0 HB3 GLN A 81 -1.510 9.911 8.791 1.00 3.55 H new ATOM 0 HG2 GLN A 81 -2.358 12.022 9.754 1.00 15.24 H new ATOM 0 HG3 GLN A 81 -3.039 12.475 8.204 1.00 15.24 H new ATOM 0 HE21 GLN A 81 -4.397 12.091 10.789 1.00 32.01 H new ATOM 0 HE22 GLN A 81 -5.616 10.841 10.519 1.00 32.01 H new ATOM 1306 N ASP A 82 1.039 11.098 9.574 1.00 24.42 N ATOM 1307 CA ASP A 82 1.878 11.447 10.728 1.00 64.23 C ATOM 1308 C ASP A 82 2.905 12.534 10.347 1.00 43.12 C ATOM 1309 O ASP A 82 3.187 13.449 11.127 1.00 21.10 O ATOM 1310 CB ASP A 82 2.588 10.182 11.236 1.00 64.32 C ATOM 1311 CG ASP A 82 3.280 10.378 12.571 1.00 13.45 C ATOM 1312 OD1 ASP A 82 2.608 10.255 13.620 1.00 73.33 O ATOM 1313 OD2 ASP A 82 4.497 10.639 12.581 1.00 11.33 O ATOM 0 H ASP A 82 1.101 10.118 9.299 1.00 24.42 H new ATOM 0 HA ASP A 82 1.249 11.850 11.522 1.00 64.23 H new ATOM 0 HB2 ASP A 82 1.859 9.377 11.327 1.00 64.32 H new ATOM 0 HB3 ASP A 82 3.323 9.865 10.497 1.00 64.32 H new ATOM 1318 N LEU A 83 3.455 12.429 9.135 1.00 41.42 N ATOM 1319 CA LEU A 83 4.381 13.442 8.611 1.00 42.24 C ATOM 1320 C LEU A 83 3.663 14.774 8.352 1.00 73.33 C ATOM 1321 O LEU A 83 4.217 15.845 8.599 1.00 71.11 O ATOM 1322 CB LEU A 83 5.037 12.960 7.310 1.00 12.12 C ATOM 1323 CG LEU A 83 5.819 11.641 7.404 1.00 34.11 C ATOM 1324 CD1 LEU A 83 6.464 11.306 6.062 1.00 43.01 C ATOM 1325 CD2 LEU A 83 6.866 11.702 8.515 1.00 3.41 C ATOM 0 H LEU A 83 3.277 11.654 8.496 1.00 41.42 H new ATOM 0 HA LEU A 83 5.150 13.598 9.368 1.00 42.24 H new ATOM 0 HB2 LEU A 83 4.260 12.847 6.554 1.00 12.12 H new ATOM 0 HB3 LEU A 83 5.714 13.738 6.957 1.00 12.12 H new ATOM 0 HG LEU A 83 5.117 10.845 7.654 1.00 34.11 H new ATOM 0 HD11 LEU A 83 7.014 10.369 6.147 1.00 43.01 H new ATOM 0 HD12 LEU A 83 5.690 11.205 5.301 1.00 43.01 H new ATOM 0 HD13 LEU A 83 7.150 12.105 5.778 1.00 43.01 H new ATOM 0 HD21 LEU A 83 7.405 10.756 8.560 1.00 3.41 H new ATOM 0 HD22 LEU A 83 7.568 12.510 8.309 1.00 3.41 H new ATOM 0 HD23 LEU A 83 6.373 11.884 9.470 1.00 3.41 H new ATOM 1337 N LYS A 84 2.433 14.698 7.835 1.00 53.10 N ATOM 1338 CA LYS A 84 1.612 15.893 7.577 1.00 11.05 C ATOM 1339 C LYS A 84 1.293 16.653 8.874 1.00 72.23 C ATOM 1340 O LYS A 84 1.360 17.883 8.919 1.00 41.44 O ATOM 1341 CB LYS A 84 0.306 15.502 6.867 1.00 64.52 C ATOM 1342 CG LYS A 84 0.494 15.062 5.416 1.00 42.24 C ATOM 1343 CD LYS A 84 0.912 16.217 4.500 1.00 22.41 C ATOM 1344 CE LYS A 84 -0.234 17.199 4.225 1.00 2.35 C ATOM 1345 NZ LYS A 84 -0.624 17.990 5.425 1.00 61.01 N ATOM 0 H LYS A 84 1.979 13.819 7.585 1.00 53.10 H new ATOM 0 HA LYS A 84 2.190 16.554 6.932 1.00 11.05 H new ATOM 0 HB2 LYS A 84 -0.169 14.693 7.422 1.00 64.52 H new ATOM 0 HB3 LYS A 84 -0.377 16.351 6.893 1.00 64.52 H new ATOM 0 HG2 LYS A 84 1.249 14.277 5.373 1.00 42.24 H new ATOM 0 HG3 LYS A 84 -0.436 14.629 5.048 1.00 42.24 H new ATOM 0 HD2 LYS A 84 1.744 16.754 4.956 1.00 22.41 H new ATOM 0 HD3 LYS A 84 1.274 15.813 3.554 1.00 22.41 H new ATOM 0 HE2 LYS A 84 0.063 17.881 3.428 1.00 2.35 H new ATOM 0 HE3 LYS A 84 -1.101 16.645 3.864 1.00 2.35 H new ATOM 0 HZ1 LYS A 84 -0.904 18.948 5.133 1.00 61.01 H new ATOM 0 HZ2 LYS A 84 -1.423 17.526 5.902 1.00 61.01 H new ATOM 0 HZ3 LYS A 84 0.183 18.049 6.079 1.00 61.01 H new ATOM 1359 N ASN A 85 0.941 15.912 9.920 1.00 4.24 N ATOM 1360 CA ASN A 85 0.648 16.501 11.232 1.00 12.52 C ATOM 1361 C ASN A 85 1.877 17.216 11.818 1.00 72.45 C ATOM 1362 O ASN A 85 1.760 18.281 12.426 1.00 62.11 O ATOM 1363 CB ASN A 85 0.161 15.415 12.200 1.00 4.21 C ATOM 1364 CG ASN A 85 -1.125 14.757 11.731 1.00 20.40 C ATOM 1365 OD1 ASN A 85 -1.955 15.381 11.078 1.00 2.20 O ATOM 1366 ND2 ASN A 85 -1.300 13.491 12.054 1.00 61.54 N ATOM 0 H ASN A 85 0.850 14.897 9.889 1.00 4.24 H new ATOM 0 HA ASN A 85 -0.138 17.244 11.096 1.00 12.52 H new ATOM 0 HB2 ASN A 85 0.935 14.656 12.310 1.00 4.21 H new ATOM 0 HB3 ASN A 85 0.003 15.854 13.185 1.00 4.21 H new ATOM 0 HD21 ASN A 85 -2.145 13.002 11.760 1.00 61.54 H new ATOM 0 HD22 ASN A 85 -0.590 13.001 12.598 1.00 61.54 H new ATOM 1373 N GLN A 86 3.053 16.621 11.630 1.00 41.24 N ATOM 1374 CA GLN A 86 4.308 17.203 12.131 1.00 24.22 C ATOM 1375 C GLN A 86 5.018 18.056 11.066 1.00 32.44 C ATOM 1376 O GLN A 86 6.092 18.602 11.319 1.00 32.52 O ATOM 1377 CB GLN A 86 5.236 16.086 12.616 1.00 73.35 C ATOM 1378 CG GLN A 86 4.651 15.269 13.761 1.00 22.30 C ATOM 1379 CD GLN A 86 5.521 14.089 14.142 1.00 32.04 C ATOM 1380 OE1 GLN A 86 6.393 14.189 14.999 1.00 53.50 O ATOM 1381 NE2 GLN A 86 5.300 12.962 13.506 1.00 41.45 N ATOM 0 H GLN A 86 3.169 15.737 11.135 1.00 41.24 H new ATOM 0 HA GLN A 86 4.059 17.864 12.961 1.00 24.22 H new ATOM 0 HB2 GLN A 86 5.459 15.421 11.782 1.00 73.35 H new ATOM 0 HB3 GLN A 86 6.182 16.523 12.937 1.00 73.35 H new ATOM 0 HG2 GLN A 86 4.518 15.913 14.630 1.00 22.30 H new ATOM 0 HG3 GLN A 86 3.662 14.909 13.477 1.00 22.30 H new ATOM 0 HE21 GLN A 86 4.567 12.911 12.798 1.00 41.45 H new ATOM 0 HE22 GLN A 86 5.861 12.137 13.720 1.00 41.45 H new ATOM 1390 N ASN A 87 4.422 18.153 9.875 1.00 5.12 N ATOM 1391 CA ASN A 87 4.958 18.986 8.780 1.00 21.10 C ATOM 1392 C ASN A 87 6.410 18.614 8.410 1.00 71.03 C ATOM 1393 O ASN A 87 7.151 19.436 7.867 1.00 0.53 O ATOM 1394 CB ASN A 87 4.880 20.467 9.171 1.00 21.35 C ATOM 1395 CG ASN A 87 3.460 20.911 9.466 1.00 23.41 C ATOM 1396 OD1 ASN A 87 2.981 20.800 10.592 1.00 2.02 O ATOM 1397 ND2 ASN A 87 2.777 21.424 8.462 1.00 44.34 N ATOM 0 H ASN A 87 3.560 17.663 9.637 1.00 5.12 H new ATOM 0 HA ASN A 87 4.345 18.799 7.899 1.00 21.10 H new ATOM 0 HB2 ASN A 87 5.503 20.642 10.048 1.00 21.35 H new ATOM 0 HB3 ASN A 87 5.288 21.075 8.364 1.00 21.35 H new ATOM 0 HD21 ASN A 87 1.819 21.744 8.607 1.00 44.34 H new ATOM 0 HD22 ASN A 87 3.206 21.501 7.540 1.00 44.34 H new ATOM 1404 N LYS A 88 6.794 17.364 8.671 1.00 64.32 N ATOM 1405 CA LYS A 88 8.174 16.906 8.440 1.00 61.10 C ATOM 1406 C LYS A 88 8.591 17.021 6.963 1.00 35.45 C ATOM 1407 O LYS A 88 9.657 17.561 6.658 1.00 65.21 O ATOM 1408 CB LYS A 88 8.352 15.463 8.934 1.00 54.51 C ATOM 1409 CG LYS A 88 8.252 15.331 10.450 1.00 30.41 C ATOM 1410 CD LYS A 88 8.623 13.933 10.933 1.00 63.53 C ATOM 1411 CE LYS A 88 8.726 13.874 12.454 1.00 63.33 C ATOM 1412 NZ LYS A 88 9.718 14.848 12.984 1.00 13.22 N ATOM 0 H LYS A 88 6.172 16.646 9.043 1.00 64.32 H new ATOM 0 HA LYS A 88 8.828 17.564 9.012 1.00 61.10 H new ATOM 0 HB2 LYS A 88 7.595 14.831 8.470 1.00 54.51 H new ATOM 0 HB3 LYS A 88 9.323 15.091 8.606 1.00 54.51 H new ATOM 0 HG2 LYS A 88 8.909 16.062 10.921 1.00 30.41 H new ATOM 0 HG3 LYS A 88 7.236 15.565 10.767 1.00 30.41 H new ATOM 0 HD2 LYS A 88 7.875 13.218 10.590 1.00 63.53 H new ATOM 0 HD3 LYS A 88 9.574 13.635 10.491 1.00 63.53 H new ATOM 0 HE2 LYS A 88 7.749 14.078 12.892 1.00 63.33 H new ATOM 0 HE3 LYS A 88 9.008 12.866 12.759 1.00 63.33 H new ATOM 0 HZ1 LYS A 88 10.009 14.561 13.940 1.00 13.22 H new ATOM 0 HZ2 LYS A 88 10.550 14.870 12.361 1.00 13.22 H new ATOM 0 HZ3 LYS A 88 9.289 15.795 13.022 1.00 13.22 H new ATOM 1426 N GLN A 89 7.753 16.501 6.062 1.00 52.31 N ATOM 1427 CA GLN A 89 7.971 16.633 4.609 1.00 44.43 C ATOM 1428 C GLN A 89 9.262 15.932 4.129 1.00 4.41 C ATOM 1429 O GLN A 89 9.938 16.410 3.214 1.00 4.34 O ATOM 1430 CB GLN A 89 8.002 18.122 4.226 1.00 4.15 C ATOM 1431 CG GLN A 89 6.704 18.860 4.538 1.00 42.34 C ATOM 1432 CD GLN A 89 6.827 20.362 4.359 1.00 32.31 C ATOM 1433 OE1 GLN A 89 6.602 20.895 3.278 1.00 61.11 O ATOM 1434 NE2 GLN A 89 7.186 21.058 5.418 1.00 13.24 N ATOM 0 H GLN A 89 6.911 15.981 6.310 1.00 52.31 H new ATOM 0 HA GLN A 89 7.140 16.134 4.110 1.00 44.43 H new ATOM 0 HB2 GLN A 89 8.822 18.608 4.755 1.00 4.15 H new ATOM 0 HB3 GLN A 89 8.213 18.210 3.160 1.00 4.15 H new ATOM 0 HG2 GLN A 89 5.912 18.485 3.890 1.00 42.34 H new ATOM 0 HG3 GLN A 89 6.405 18.644 5.564 1.00 42.34 H new ATOM 0 HE21 GLN A 89 7.366 20.584 6.303 1.00 13.24 H new ATOM 0 HE22 GLN A 89 7.284 22.071 5.353 1.00 13.24 H new ATOM 1443 N ILE A 90 9.583 14.784 4.727 1.00 20.01 N ATOM 1444 CA ILE A 90 10.760 14.004 4.313 1.00 74.23 C ATOM 1445 C ILE A 90 10.542 13.330 2.943 1.00 72.31 C ATOM 1446 O ILE A 90 9.438 13.357 2.395 1.00 3.31 O ATOM 1447 CB ILE A 90 11.126 12.918 5.357 1.00 41.22 C ATOM 1448 CG1 ILE A 90 9.997 11.882 5.486 1.00 3.02 C ATOM 1449 CG2 ILE A 90 11.435 13.563 6.710 1.00 30.24 C ATOM 1450 CD1 ILE A 90 10.349 10.701 6.369 1.00 33.42 C ATOM 0 H ILE A 90 9.052 14.372 5.494 1.00 20.01 H new ATOM 0 HA ILE A 90 11.584 14.714 4.235 1.00 74.23 H new ATOM 0 HB ILE A 90 12.020 12.397 5.014 1.00 41.22 H new ATOM 0 HG12 ILE A 90 9.110 12.373 5.888 1.00 3.02 H new ATOM 0 HG13 ILE A 90 9.737 11.516 4.493 1.00 3.02 H new ATOM 0 HG21 ILE A 90 11.690 12.788 7.433 1.00 30.24 H new ATOM 0 HG22 ILE A 90 12.275 14.250 6.602 1.00 30.24 H new ATOM 0 HG23 ILE A 90 10.560 14.111 7.060 1.00 30.24 H new ATOM 0 HD11 ILE A 90 9.504 10.014 6.411 1.00 33.42 H new ATOM 0 HD12 ILE A 90 11.216 10.185 5.957 1.00 33.42 H new ATOM 0 HD13 ILE A 90 10.580 11.054 7.374 1.00 33.42 H new ATOM 1462 N SER A 91 11.594 12.722 2.397 1.00 71.43 N ATOM 1463 CA SER A 91 11.523 12.086 1.070 1.00 32.22 C ATOM 1464 C SER A 91 11.097 10.616 1.162 1.00 43.43 C ATOM 1465 O SER A 91 11.151 9.999 2.229 1.00 15.25 O ATOM 1466 CB SER A 91 12.884 12.152 0.364 1.00 31.44 C ATOM 1467 OG SER A 91 13.798 11.219 0.926 1.00 34.15 O ATOM 0 H SER A 91 12.507 12.653 2.847 1.00 71.43 H new ATOM 0 HA SER A 91 10.775 12.637 0.500 1.00 32.22 H new ATOM 0 HB2 SER A 91 12.756 11.946 -0.699 1.00 31.44 H new ATOM 0 HB3 SER A 91 13.291 13.160 0.446 1.00 31.44 H new ATOM 0 HG SER A 91 14.696 11.387 0.571 1.00 34.15 H new ATOM 1473 N MET A 92 10.695 10.052 0.023 1.00 34.41 N ATOM 1474 CA MET A 92 10.371 8.625 -0.062 1.00 42.41 C ATOM 1475 C MET A 92 11.584 7.759 0.316 1.00 14.01 C ATOM 1476 O MET A 92 11.436 6.687 0.904 1.00 3.23 O ATOM 1477 CB MET A 92 9.882 8.275 -1.476 1.00 23.32 C ATOM 1478 CG MET A 92 10.879 8.602 -2.583 1.00 10.11 C ATOM 1479 SD MET A 92 10.186 8.365 -4.234 1.00 35.41 S ATOM 1480 CE MET A 92 9.745 6.629 -4.180 1.00 1.35 C ATOM 0 H MET A 92 10.585 10.560 -0.855 1.00 34.41 H new ATOM 0 HA MET A 92 9.573 8.414 0.650 1.00 42.41 H new ATOM 0 HB2 MET A 92 9.650 7.211 -1.515 1.00 23.32 H new ATOM 0 HB3 MET A 92 8.953 8.811 -1.670 1.00 23.32 H new ATOM 0 HG2 MET A 92 11.209 9.635 -2.476 1.00 10.11 H new ATOM 0 HG3 MET A 92 11.762 7.972 -2.470 1.00 10.11 H new ATOM 0 HE1 MET A 92 9.851 6.196 -5.175 1.00 1.35 H new ATOM 0 HE2 MET A 92 10.403 6.108 -3.485 1.00 1.35 H new ATOM 0 HE3 MET A 92 8.712 6.526 -3.848 1.00 1.35 H new ATOM 1490 N ALA A 93 12.785 8.244 -0.011 1.00 11.44 N ATOM 1491 CA ALA A 93 14.028 7.545 0.331 1.00 40.04 C ATOM 1492 C ALA A 93 14.220 7.458 1.851 1.00 64.14 C ATOM 1493 O ALA A 93 14.709 6.453 2.372 1.00 64.44 O ATOM 1494 CB ALA A 93 15.220 8.242 -0.321 1.00 3.13 C ATOM 0 H ALA A 93 12.923 9.121 -0.514 1.00 11.44 H new ATOM 0 HA ALA A 93 13.960 6.527 -0.053 1.00 40.04 H new ATOM 0 HB1 ALA A 93 16.137 7.714 -0.060 1.00 3.13 H new ATOM 0 HB2 ALA A 93 15.095 8.239 -1.404 1.00 3.13 H new ATOM 0 HB3 ALA A 93 15.279 9.271 0.035 1.00 3.13 H new ATOM 1500 N GLU A 94 13.831 8.520 2.560 1.00 40.42 N ATOM 1501 CA GLU A 94 13.891 8.540 4.027 1.00 12.01 C ATOM 1502 C GLU A 94 12.766 7.685 4.635 1.00 45.25 C ATOM 1503 O GLU A 94 12.949 7.037 5.668 1.00 32.54 O ATOM 1504 CB GLU A 94 13.806 9.987 4.544 1.00 34.20 C ATOM 1505 CG GLU A 94 14.892 10.899 3.979 1.00 63.52 C ATOM 1506 CD GLU A 94 14.821 12.322 4.517 1.00 31.53 C ATOM 1507 OE1 GLU A 94 14.071 13.141 3.945 1.00 11.54 O ATOM 1508 OE2 GLU A 94 15.525 12.629 5.507 1.00 33.21 O ATOM 0 H GLU A 94 13.471 9.379 2.144 1.00 40.42 H new ATOM 0 HA GLU A 94 14.845 8.112 4.336 1.00 12.01 H new ATOM 0 HB2 GLU A 94 12.829 10.398 4.291 1.00 34.20 H new ATOM 0 HB3 GLU A 94 13.877 9.981 5.632 1.00 34.20 H new ATOM 0 HG2 GLU A 94 15.869 10.477 4.213 1.00 63.52 H new ATOM 0 HG3 GLU A 94 14.808 10.924 2.893 1.00 63.52 H new ATOM 1515 N ALA A 95 11.605 7.680 3.978 1.00 62.14 N ATOM 1516 CA ALA A 95 10.460 6.868 4.416 1.00 41.45 C ATOM 1517 C ALA A 95 10.771 5.361 4.367 1.00 4.23 C ATOM 1518 O ALA A 95 10.382 4.607 5.263 1.00 44.34 O ATOM 1519 CB ALA A 95 9.236 7.178 3.563 1.00 15.14 C ATOM 0 H ALA A 95 11.429 8.230 3.137 1.00 62.14 H new ATOM 0 HA ALA A 95 10.253 7.128 5.454 1.00 41.45 H new ATOM 0 HB1 ALA A 95 8.396 6.570 3.898 1.00 15.14 H new ATOM 0 HB2 ALA A 95 8.982 8.233 3.661 1.00 15.14 H new ATOM 0 HB3 ALA A 95 9.454 6.953 2.519 1.00 15.14 H new ATOM 1525 N GLN A 96 11.483 4.928 3.321 1.00 21.22 N ATOM 1526 CA GLN A 96 11.860 3.513 3.169 1.00 23.43 C ATOM 1527 C GLN A 96 12.783 3.031 4.303 1.00 75.24 C ATOM 1528 O GLN A 96 12.983 1.829 4.477 1.00 53.31 O ATOM 1529 CB GLN A 96 12.526 3.264 1.808 1.00 41.13 C ATOM 1530 CG GLN A 96 11.601 3.507 0.620 1.00 41.43 C ATOM 1531 CD GLN A 96 12.155 2.965 -0.687 1.00 43.43 C ATOM 1532 OE1 GLN A 96 12.856 3.657 -1.422 1.00 74.41 O ATOM 1533 NE2 GLN A 96 11.838 1.723 -0.992 1.00 2.01 N ATOM 0 H GLN A 96 11.810 5.533 2.568 1.00 21.22 H new ATOM 0 HA GLN A 96 10.937 2.936 3.224 1.00 23.43 H new ATOM 0 HB2 GLN A 96 13.398 3.911 1.716 1.00 41.13 H new ATOM 0 HB3 GLN A 96 12.886 2.236 1.772 1.00 41.13 H new ATOM 0 HG2 GLN A 96 10.635 3.043 0.818 1.00 41.43 H new ATOM 0 HG3 GLN A 96 11.425 4.578 0.517 1.00 41.43 H new ATOM 0 HE21 GLN A 96 11.254 1.176 -0.360 1.00 2.01 H new ATOM 0 HE22 GLN A 96 12.177 1.309 -1.860 1.00 2.01 H new ATOM 1542 N GLY A 97 13.346 3.970 5.063 1.00 53.31 N ATOM 1543 CA GLY A 97 14.138 3.612 6.238 1.00 34.15 C ATOM 1544 C GLY A 97 13.314 2.881 7.295 1.00 0.21 C ATOM 1545 O GLY A 97 13.819 2.005 8.003 1.00 21.32 O ATOM 0 H GLY A 97 13.270 4.972 4.889 1.00 53.31 H new ATOM 0 HA2 GLY A 97 14.973 2.981 5.932 1.00 34.15 H new ATOM 0 HA3 GLY A 97 14.564 4.515 6.674 1.00 34.15 H new ATOM 1549 N LYS A 98 12.036 3.245 7.401 1.00 31.55 N ATOM 1550 CA LYS A 98 11.110 2.582 8.326 1.00 21.24 C ATOM 1551 C LYS A 98 10.412 1.391 7.638 1.00 11.25 C ATOM 1552 O LYS A 98 10.008 0.429 8.293 1.00 11.44 O ATOM 1553 CB LYS A 98 10.077 3.608 8.850 1.00 63.12 C ATOM 1554 CG LYS A 98 9.352 3.201 10.141 1.00 31.44 C ATOM 1555 CD LYS A 98 8.207 2.217 9.898 1.00 72.50 C ATOM 1556 CE LYS A 98 7.553 1.764 11.200 1.00 61.13 C ATOM 1557 NZ LYS A 98 6.438 0.802 10.963 1.00 74.35 N ATOM 0 H LYS A 98 11.615 3.998 6.857 1.00 31.55 H new ATOM 0 HA LYS A 98 11.672 2.188 9.173 1.00 21.24 H new ATOM 0 HB2 LYS A 98 10.585 4.557 9.021 1.00 63.12 H new ATOM 0 HB3 LYS A 98 9.333 3.780 8.073 1.00 63.12 H new ATOM 0 HG2 LYS A 98 10.069 2.753 10.828 1.00 31.44 H new ATOM 0 HG3 LYS A 98 8.959 4.094 10.628 1.00 31.44 H new ATOM 0 HD2 LYS A 98 7.457 2.685 9.260 1.00 72.50 H new ATOM 0 HD3 LYS A 98 8.585 1.347 9.361 1.00 72.50 H new ATOM 0 HE2 LYS A 98 8.303 1.298 11.839 1.00 61.13 H new ATOM 0 HE3 LYS A 98 7.173 2.634 11.736 1.00 61.13 H new ATOM 0 HZ1 LYS A 98 6.023 0.521 11.874 1.00 74.35 H new ATOM 0 HZ2 LYS A 98 5.709 1.254 10.375 1.00 74.35 H new ATOM 0 HZ3 LYS A 98 6.804 -0.040 10.475 1.00 74.35 H new ATOM 1571 N PHE A 99 10.287 1.450 6.310 1.00 52.44 N ATOM 1572 CA PHE A 99 9.622 0.384 5.541 1.00 71.14 C ATOM 1573 C PHE A 99 10.578 -0.259 4.512 1.00 32.42 C ATOM 1574 O PHE A 99 10.426 -0.060 3.304 1.00 74.41 O ATOM 1575 CB PHE A 99 8.392 0.950 4.817 1.00 23.14 C ATOM 1576 CG PHE A 99 7.437 1.686 5.719 1.00 52.40 C ATOM 1577 CD1 PHE A 99 6.575 0.991 6.552 1.00 30.41 C ATOM 1578 CD2 PHE A 99 7.405 3.076 5.737 1.00 42.04 C ATOM 1579 CE1 PHE A 99 5.701 1.664 7.381 1.00 32.01 C ATOM 1580 CE2 PHE A 99 6.531 3.751 6.565 1.00 54.50 C ATOM 1581 CZ PHE A 99 5.679 3.044 7.390 1.00 34.01 C ATOM 0 H PHE A 99 10.636 2.222 5.741 1.00 52.44 H new ATOM 0 HA PHE A 99 9.314 -0.389 6.245 1.00 71.14 H new ATOM 0 HB2 PHE A 99 8.725 1.625 4.029 1.00 23.14 H new ATOM 0 HB3 PHE A 99 7.860 0.132 4.332 1.00 23.14 H new ATOM 0 HD1 PHE A 99 6.587 -0.089 6.552 1.00 30.41 H new ATOM 0 HD2 PHE A 99 8.072 3.634 5.096 1.00 42.04 H new ATOM 0 HE1 PHE A 99 5.033 1.110 8.024 1.00 32.01 H new ATOM 0 HE2 PHE A 99 6.514 4.831 6.568 1.00 54.50 H new ATOM 0 HZ PHE A 99 4.997 3.570 8.041 1.00 34.01 H new ATOM 1591 N PRO A 100 11.563 -1.061 4.967 1.00 33.35 N ATOM 1592 CA PRO A 100 12.578 -1.658 4.072 1.00 23.14 C ATOM 1593 C PRO A 100 12.012 -2.769 3.175 1.00 60.03 C ATOM 1594 O PRO A 100 12.589 -3.104 2.140 1.00 42.00 O ATOM 1595 CB PRO A 100 13.607 -2.234 5.054 1.00 0.32 C ATOM 1596 CG PRO A 100 12.814 -2.543 6.278 1.00 13.42 C ATOM 1597 CD PRO A 100 11.773 -1.459 6.375 1.00 12.01 C ATOM 0 HA PRO A 100 12.983 -0.925 3.375 1.00 23.14 H new ATOM 0 HB2 PRO A 100 14.083 -3.128 4.652 1.00 0.32 H new ATOM 0 HB3 PRO A 100 14.401 -1.517 5.265 1.00 0.32 H new ATOM 0 HG2 PRO A 100 12.349 -3.526 6.205 1.00 13.42 H new ATOM 0 HG3 PRO A 100 13.450 -2.555 7.163 1.00 13.42 H new ATOM 0 HD2 PRO A 100 10.853 -1.825 6.831 1.00 12.01 H new ATOM 0 HD3 PRO A 100 12.119 -0.622 6.982 1.00 12.01 H new ATOM 1605 N GLU A 101 10.879 -3.340 3.577 1.00 51.52 N ATOM 1606 CA GLU A 101 10.260 -4.442 2.835 1.00 43.41 C ATOM 1607 C GLU A 101 9.090 -3.957 1.961 1.00 43.12 C ATOM 1608 O GLU A 101 8.385 -4.762 1.352 1.00 31.22 O ATOM 1609 CB GLU A 101 9.786 -5.522 3.816 1.00 53.25 C ATOM 1610 CG GLU A 101 10.907 -6.065 4.699 1.00 54.42 C ATOM 1611 CD GLU A 101 10.440 -7.163 5.636 1.00 34.22 C ATOM 1612 OE1 GLU A 101 9.848 -6.844 6.688 1.00 41.04 O ATOM 1613 OE2 GLU A 101 10.669 -8.349 5.330 1.00 14.40 O ATOM 0 H GLU A 101 10.368 -3.059 4.414 1.00 51.52 H new ATOM 0 HA GLU A 101 11.010 -4.863 2.165 1.00 43.41 H new ATOM 0 HB2 GLU A 101 9.001 -5.109 4.449 1.00 53.25 H new ATOM 0 HB3 GLU A 101 9.343 -6.345 3.255 1.00 53.25 H new ATOM 0 HG2 GLU A 101 11.707 -6.450 4.067 1.00 54.42 H new ATOM 0 HG3 GLU A 101 11.329 -5.249 5.285 1.00 54.42 H new ATOM 1620 N VAL A 102 8.892 -2.640 1.895 1.00 52.12 N ATOM 1621 CA VAL A 102 7.833 -2.064 1.056 1.00 60.34 C ATOM 1622 C VAL A 102 8.433 -1.342 -0.161 1.00 60.24 C ATOM 1623 O VAL A 102 9.333 -0.510 -0.025 1.00 63.31 O ATOM 1624 CB VAL A 102 6.938 -1.081 1.854 1.00 10.32 C ATOM 1625 CG1 VAL A 102 5.807 -0.541 0.979 1.00 4.35 C ATOM 1626 CG2 VAL A 102 6.378 -1.758 3.106 1.00 61.32 C ATOM 0 H VAL A 102 9.445 -1.953 2.408 1.00 52.12 H new ATOM 0 HA VAL A 102 7.212 -2.892 0.714 1.00 60.34 H new ATOM 0 HB VAL A 102 7.554 -0.238 2.167 1.00 10.32 H new ATOM 0 HG11 VAL A 102 5.193 0.146 1.561 1.00 4.35 H new ATOM 0 HG12 VAL A 102 6.229 -0.014 0.123 1.00 4.35 H new ATOM 0 HG13 VAL A 102 5.191 -1.369 0.628 1.00 4.35 H new ATOM 0 HG21 VAL A 102 5.753 -1.052 3.653 1.00 61.32 H new ATOM 0 HG22 VAL A 102 5.781 -2.623 2.816 1.00 61.32 H new ATOM 0 HG23 VAL A 102 7.201 -2.082 3.743 1.00 61.32 H new ATOM 1636 N VAL A 103 7.935 -1.666 -1.354 1.00 10.42 N ATOM 1637 CA VAL A 103 8.480 -1.106 -2.594 1.00 23.51 C ATOM 1638 C VAL A 103 7.894 0.283 -2.905 1.00 33.54 C ATOM 1639 O VAL A 103 6.763 0.403 -3.364 1.00 4.05 O ATOM 1640 CB VAL A 103 8.209 -2.060 -3.789 1.00 21.41 C ATOM 1641 CG1 VAL A 103 8.760 -1.488 -5.095 1.00 33.05 C ATOM 1642 CG2 VAL A 103 8.791 -3.447 -3.511 1.00 2.33 C ATOM 0 H VAL A 103 7.157 -2.312 -1.490 1.00 10.42 H new ATOM 0 HA VAL A 103 9.555 -0.997 -2.448 1.00 23.51 H new ATOM 0 HB VAL A 103 7.129 -2.156 -3.903 1.00 21.41 H new ATOM 0 HG11 VAL A 103 8.554 -2.180 -5.911 1.00 33.05 H new ATOM 0 HG12 VAL A 103 8.283 -0.530 -5.302 1.00 33.05 H new ATOM 0 HG13 VAL A 103 9.837 -1.345 -5.004 1.00 33.05 H new ATOM 0 HG21 VAL A 103 8.591 -4.102 -4.359 1.00 2.33 H new ATOM 0 HG22 VAL A 103 9.867 -3.366 -3.360 1.00 2.33 H new ATOM 0 HG23 VAL A 103 8.329 -3.862 -2.615 1.00 2.33 H new ATOM 1652 N PHE A 104 8.669 1.334 -2.648 1.00 31.22 N ATOM 1653 CA PHE A 104 8.259 2.701 -3.002 1.00 54.45 C ATOM 1654 C PHE A 104 8.782 3.073 -4.397 1.00 1.11 C ATOM 1655 O PHE A 104 9.992 3.103 -4.624 1.00 62.24 O ATOM 1656 CB PHE A 104 8.779 3.714 -1.968 1.00 35.31 C ATOM 1657 CG PHE A 104 8.130 3.620 -0.608 1.00 5.22 C ATOM 1658 CD1 PHE A 104 8.329 2.509 0.199 1.00 32.34 C ATOM 1659 CD2 PHE A 104 7.337 4.653 -0.129 1.00 24.01 C ATOM 1660 CE1 PHE A 104 7.751 2.430 1.451 1.00 73.34 C ATOM 1661 CE2 PHE A 104 6.754 4.577 1.122 1.00 5.24 C ATOM 1662 CZ PHE A 104 6.963 3.465 1.913 1.00 34.15 C ATOM 0 H PHE A 104 9.582 1.271 -2.198 1.00 31.22 H new ATOM 0 HA PHE A 104 7.170 2.734 -3.007 1.00 54.45 H new ATOM 0 HB2 PHE A 104 9.854 3.575 -1.853 1.00 35.31 H new ATOM 0 HB3 PHE A 104 8.628 4.720 -2.358 1.00 35.31 H new ATOM 0 HD1 PHE A 104 8.944 1.695 -0.156 1.00 32.34 H new ATOM 0 HD2 PHE A 104 7.173 5.527 -0.741 1.00 24.01 H new ATOM 0 HE1 PHE A 104 7.915 1.559 2.068 1.00 73.34 H new ATOM 0 HE2 PHE A 104 6.136 5.387 1.480 1.00 5.24 H new ATOM 0 HZ PHE A 104 6.511 3.405 2.892 1.00 34.15 H new ATOM 1672 N SER A 105 7.872 3.367 -5.323 1.00 44.22 N ATOM 1673 CA SER A 105 8.252 3.684 -6.712 1.00 21.43 C ATOM 1674 C SER A 105 7.880 5.125 -7.086 1.00 63.04 C ATOM 1675 O SER A 105 6.749 5.562 -6.867 1.00 3.35 O ATOM 1676 CB SER A 105 7.579 2.707 -7.690 1.00 41.11 C ATOM 1677 OG SER A 105 7.969 2.959 -9.036 1.00 4.22 O ATOM 0 H SER A 105 6.868 3.394 -5.145 1.00 44.22 H new ATOM 0 HA SER A 105 9.335 3.582 -6.784 1.00 21.43 H new ATOM 0 HB2 SER A 105 7.841 1.684 -7.420 1.00 41.11 H new ATOM 0 HB3 SER A 105 6.496 2.792 -7.603 1.00 41.11 H new ATOM 0 HG SER A 105 7.524 2.319 -9.631 1.00 4.22 H new