USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 THR OG1 : rot 156:sc= -1.52! USER MOD Set 1.2: A 51 GLN : amide:sc= -3.33! C(o=-4.9!,f=-8.8!) USER MOD Set 2.1: A 41 ASN : amide:sc= -0.22 K(o=-3.6,f=-1.4!) USER MOD Set 2.2: A 56 GLN : amide:sc= -3.4 K(o=-3.6,f=-0.46) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.721 USER MOD Single : A 20 SER OG : rot -53:sc= 0.806 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.23) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.197 (180deg=-0.939) USER MOD Single : A 37 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.9) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0.685 (180deg=0.509) USER MOD Single : A 39 ASN : amide:sc=-0.00469 K(o=-0.0047,f=-2.5!) USER MOD Single : A 45 MET CE :methyl 173:sc= -0.482 (180deg=-0.57) USER MOD Single : A 46 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.8) USER MOD Single : A 48 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= -0.0722 (180deg=-0.599) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.094) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -1.340 13.990 -3.122 1.00 0.00 N ATOM 2 CA ILE A 6 -0.344 14.613 -2.205 1.00 0.00 C ATOM 3 C ILE A 6 1.048 14.014 -2.519 1.00 0.00 C ATOM 4 O ILE A 6 1.153 12.836 -2.795 1.00 0.00 O ATOM 5 CB ILE A 6 -0.779 14.318 -0.733 1.00 0.00 C ATOM 6 CG1 ILE A 6 -1.348 15.596 -0.090 1.00 0.00 C ATOM 7 CG2 ILE A 6 0.397 13.812 0.123 1.00 0.00 C ATOM 8 CD1 ILE A 6 -1.962 15.268 1.273 1.00 0.00 C ATOM 0 HA ILE A 6 -0.293 15.693 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.539 13.538 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.557 16.337 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.103 16.036 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.051 13.619 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.791 12.891 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.183 14.567 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.362 16.178 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.766 14.543 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.196 14.849 1.926 1.00 0.00 H new ATOM 20 N PRO A 7 2.115 14.790 -2.464 1.00 0.00 N ATOM 21 CA PRO A 7 3.476 14.248 -2.737 1.00 0.00 C ATOM 22 C PRO A 7 3.759 12.989 -1.903 1.00 0.00 C ATOM 23 O PRO A 7 3.717 13.008 -0.689 1.00 0.00 O ATOM 24 CB PRO A 7 4.442 15.387 -2.371 1.00 0.00 C ATOM 25 CG PRO A 7 3.617 16.645 -2.333 1.00 0.00 C ATOM 26 CD PRO A 7 2.145 16.234 -2.152 1.00 0.00 C ATOM 0 HA PRO A 7 3.585 13.940 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.913 15.202 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.243 15.469 -3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.938 17.288 -1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.745 17.214 -3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.803 16.426 -1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.492 16.797 -2.820 1.00 0.00 H new ATOM 34 N ILE A 8 4.034 11.901 -2.560 1.00 0.00 N ATOM 35 CA ILE A 8 4.313 10.620 -1.863 1.00 0.00 C ATOM 36 C ILE A 8 5.177 10.833 -0.595 1.00 0.00 C ATOM 37 O ILE A 8 4.990 10.166 0.401 1.00 0.00 O ATOM 38 CB ILE A 8 5.046 9.718 -2.863 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.024 8.285 -2.357 1.00 0.00 C ATOM 40 CG2 ILE A 8 6.475 10.199 -3.038 1.00 0.00 C ATOM 41 CD1 ILE A 8 5.898 7.404 -3.252 1.00 0.00 C ATOM 0 H ILE A 8 4.078 11.846 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 8 3.380 10.167 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 8 4.546 9.760 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.386 8.247 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.001 7.909 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.991 9.555 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.471 11.223 -3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.990 10.166 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.878 6.378 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.517 7.431 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.923 7.775 -3.238 1.00 0.00 H new ATOM 53 N TRP A 9 6.130 11.733 -0.627 1.00 0.00 N ATOM 54 CA TRP A 9 7.006 11.953 0.580 1.00 0.00 C ATOM 55 C TRP A 9 6.256 12.795 1.620 1.00 0.00 C ATOM 56 O TRP A 9 6.785 13.100 2.671 1.00 0.00 O ATOM 57 CB TRP A 9 8.315 12.678 0.162 1.00 0.00 C ATOM 58 CG TRP A 9 8.072 13.399 -1.117 1.00 0.00 C ATOM 59 CD1 TRP A 9 7.523 14.628 -1.228 1.00 0.00 C ATOM 60 CD2 TRP A 9 8.316 12.932 -2.467 1.00 0.00 C ATOM 61 NE1 TRP A 9 7.416 14.945 -2.566 1.00 0.00 N ATOM 62 CE2 TRP A 9 7.881 13.928 -3.369 1.00 0.00 C ATOM 63 CE3 TRP A 9 8.863 11.748 -2.992 1.00 0.00 C ATOM 64 CZ2 TRP A 9 7.976 13.756 -4.744 1.00 0.00 C ATOM 65 CZ3 TRP A 9 8.953 11.570 -4.379 1.00 0.00 C ATOM 66 CH2 TRP A 9 8.507 12.572 -5.249 1.00 0.00 C ATOM 0 H TRP A 9 6.343 12.325 -1.430 1.00 0.00 H new ATOM 0 HA TRP A 9 7.259 10.986 1.015 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.624 13.378 0.938 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.124 11.958 0.042 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.218 15.258 -0.405 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.039 15.825 -2.917 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.214 10.974 -2.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.641 14.533 -5.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.368 10.656 -4.778 1.00 0.00 H new ATOM 0 HH2 TRP A 9 8.575 12.426 -6.317 1.00 0.00 H new ATOM 77 N GLU A 10 5.036 13.177 1.334 1.00 0.00 N ATOM 78 CA GLU A 10 4.247 14.008 2.302 1.00 0.00 C ATOM 79 C GLU A 10 2.929 13.301 2.630 1.00 0.00 C ATOM 80 O GLU A 10 1.874 13.900 2.606 1.00 0.00 O ATOM 81 CB GLU A 10 3.955 15.377 1.669 1.00 0.00 C ATOM 82 CG GLU A 10 5.190 16.278 1.798 1.00 0.00 C ATOM 83 CD GLU A 10 5.074 17.452 0.825 1.00 0.00 C ATOM 84 OE1 GLU A 10 4.208 18.285 1.034 1.00 0.00 O ATOM 85 OE2 GLU A 10 5.852 17.497 -0.114 1.00 0.00 O ATOM 0 H GLU A 10 4.548 12.949 0.468 1.00 0.00 H new ATOM 0 HA GLU A 10 4.819 14.144 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.690 15.254 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.101 15.842 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.278 16.647 2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.093 15.706 1.587 1.00 0.00 H new ATOM 92 N ARG A 11 2.980 12.034 2.950 1.00 0.00 N ATOM 93 CA ARG A 11 1.723 11.299 3.289 1.00 0.00 C ATOM 94 C ARG A 11 2.029 10.193 4.303 1.00 0.00 C ATOM 95 O ARG A 11 3.130 10.076 4.800 1.00 0.00 O ATOM 96 CB ARG A 11 1.083 10.693 2.019 1.00 0.00 C ATOM 97 CG ARG A 11 2.156 10.246 1.012 1.00 0.00 C ATOM 98 CD ARG A 11 2.919 9.027 1.544 1.00 0.00 C ATOM 99 NE ARG A 11 3.985 9.480 2.481 1.00 0.00 N ATOM 100 CZ ARG A 11 4.608 8.610 3.224 1.00 0.00 C ATOM 101 NH1 ARG A 11 4.300 7.345 3.139 1.00 0.00 N ATOM 102 NH2 ARG A 11 5.540 9.003 4.049 1.00 0.00 N ATOM 0 H ARG A 11 3.834 11.477 2.991 1.00 0.00 H new ATOM 0 HA ARG A 11 1.015 12.003 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.461 9.841 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.428 11.429 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.688 10.002 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.851 11.064 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.234 8.350 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.359 8.470 0.717 1.00 0.00 H new ATOM 0 HE ARG A 11 4.227 10.469 2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.573 7.039 2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.786 6.662 3.720 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.781 9.992 4.112 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.027 8.321 4.630 1.00 0.00 H new ATOM 116 N TYR A 12 1.040 9.398 4.624 1.00 0.00 N ATOM 117 CA TYR A 12 1.219 8.299 5.625 1.00 0.00 C ATOM 118 C TYR A 12 0.967 6.948 4.948 1.00 0.00 C ATOM 119 O TYR A 12 1.275 5.905 5.489 1.00 0.00 O ATOM 120 CB TYR A 12 0.200 8.502 6.752 1.00 0.00 C ATOM 121 CG TYR A 12 -1.110 8.971 6.154 1.00 0.00 C ATOM 122 CD1 TYR A 12 -1.239 10.288 5.692 1.00 0.00 C ATOM 123 CD2 TYR A 12 -2.189 8.085 6.049 1.00 0.00 C ATOM 124 CE1 TYR A 12 -2.447 10.718 5.128 1.00 0.00 C ATOM 125 CE2 TYR A 12 -3.397 8.515 5.487 1.00 0.00 C ATOM 126 CZ TYR A 12 -3.526 9.831 5.025 1.00 0.00 C ATOM 127 OH TYR A 12 -4.717 10.253 4.470 1.00 0.00 O ATOM 0 H TYR A 12 0.102 9.464 4.230 1.00 0.00 H new ATOM 0 HA TYR A 12 2.232 8.315 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.052 7.570 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.571 9.236 7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.407 10.972 5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.089 7.069 6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.546 11.733 4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.230 7.832 5.410 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.360 9.513 4.474 1.00 0.00 H new ATOM 137 N THR A 13 0.402 6.962 3.770 1.00 0.00 N ATOM 138 CA THR A 13 0.116 5.683 3.050 1.00 0.00 C ATOM 139 C THR A 13 0.400 5.876 1.560 1.00 0.00 C ATOM 140 O THR A 13 0.320 6.971 1.041 1.00 0.00 O ATOM 141 CB THR A 13 -1.362 5.307 3.259 1.00 0.00 C ATOM 142 OG1 THR A 13 -2.144 6.493 3.252 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.568 4.575 4.605 1.00 0.00 C ATOM 0 H THR A 13 0.124 7.808 3.272 1.00 0.00 H new ATOM 0 HA THR A 13 0.748 4.884 3.437 1.00 0.00 H new ATOM 0 HB THR A 13 -1.667 4.639 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.066 6.276 2.999 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.622 4.322 4.724 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.972 3.662 4.618 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.256 5.224 5.423 1.00 0.00 H new ATOM 151 N LEU A 14 0.750 4.814 0.875 1.00 0.00 N ATOM 152 CA LEU A 14 1.065 4.915 -0.585 1.00 0.00 C ATOM 153 C LEU A 14 -0.056 4.293 -1.413 1.00 0.00 C ATOM 154 O LEU A 14 -0.671 3.320 -1.029 1.00 0.00 O ATOM 155 CB LEU A 14 2.382 4.164 -0.865 1.00 0.00 C ATOM 156 CG LEU A 14 3.574 5.106 -0.688 1.00 0.00 C ATOM 157 CD1 LEU A 14 3.768 5.434 0.793 1.00 0.00 C ATOM 158 CD2 LEU A 14 4.831 4.436 -1.230 1.00 0.00 C ATOM 0 H LEU A 14 0.831 3.876 1.267 1.00 0.00 H new ATOM 0 HA LEU A 14 1.164 5.965 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.476 3.315 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.373 3.764 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 14 3.385 6.030 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.619 6.105 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.870 5.916 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.953 4.514 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.682 5.105 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.014 3.510 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.697 4.213 -2.288 1.00 0.00 H new ATOM 170 N THR A 15 -0.302 4.850 -2.561 1.00 0.00 N ATOM 171 CA THR A 15 -1.357 4.308 -3.449 1.00 0.00 C ATOM 172 C THR A 15 -0.789 3.115 -4.207 1.00 0.00 C ATOM 173 O THR A 15 0.296 2.650 -3.923 1.00 0.00 O ATOM 174 CB THR A 15 -1.770 5.391 -4.445 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.613 6.100 -4.857 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.739 6.365 -3.785 1.00 0.00 C ATOM 0 H THR A 15 0.189 5.667 -2.925 1.00 0.00 H new ATOM 0 HA THR A 15 -2.223 3.998 -2.864 1.00 0.00 H new ATOM 0 HB THR A 15 -2.256 4.926 -5.303 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.880 6.892 -5.369 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.028 7.133 -4.502 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.627 5.826 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.257 6.833 -2.927 1.00 0.00 H new ATOM 184 N ILE A 16 -1.496 2.626 -5.183 1.00 0.00 N ATOM 185 CA ILE A 16 -0.969 1.485 -5.954 1.00 0.00 C ATOM 186 C ILE A 16 0.157 2.006 -6.854 1.00 0.00 C ATOM 187 O ILE A 16 1.157 1.350 -7.057 1.00 0.00 O ATOM 188 CB ILE A 16 -2.094 0.884 -6.814 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.027 0.013 -5.940 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.491 0.048 -7.955 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.454 -1.400 -5.767 1.00 0.00 C ATOM 0 H ILE A 16 -2.411 2.969 -5.475 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.590 0.711 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.682 1.694 -7.246 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.157 0.479 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.014 -0.044 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.293 -0.374 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.862 0.684 -8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.889 -0.759 -7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.128 -1.993 -5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.348 -1.872 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.478 -1.340 -5.285 1.00 0.00 H new ATOM 203 N GLU A 17 -0.003 3.187 -7.391 1.00 0.00 N ATOM 204 CA GLU A 17 1.059 3.747 -8.270 1.00 0.00 C ATOM 205 C GLU A 17 2.272 4.091 -7.406 1.00 0.00 C ATOM 206 O GLU A 17 3.392 3.756 -7.735 1.00 0.00 O ATOM 207 CB GLU A 17 0.544 5.006 -8.998 1.00 0.00 C ATOM 208 CG GLU A 17 -0.447 5.770 -8.102 1.00 0.00 C ATOM 209 CD GLU A 17 -1.876 5.264 -8.335 1.00 0.00 C ATOM 210 OE1 GLU A 17 -2.095 4.073 -8.193 1.00 0.00 O ATOM 211 OE2 GLU A 17 -2.726 6.079 -8.653 1.00 0.00 O ATOM 0 H GLU A 17 -0.820 3.784 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 17 1.339 3.013 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.382 5.652 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.057 4.722 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.175 5.641 -7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.393 6.837 -8.316 1.00 0.00 H new ATOM 218 N GLU A 18 2.060 4.738 -6.290 1.00 0.00 N ATOM 219 CA GLU A 18 3.200 5.070 -5.413 1.00 0.00 C ATOM 220 C GLU A 18 3.781 3.763 -4.881 1.00 0.00 C ATOM 221 O GLU A 18 4.976 3.595 -4.783 1.00 0.00 O ATOM 222 CB GLU A 18 2.704 5.930 -4.249 1.00 0.00 C ATOM 223 CG GLU A 18 2.449 7.373 -4.708 1.00 0.00 C ATOM 224 CD GLU A 18 1.700 7.389 -6.045 1.00 0.00 C ATOM 225 OE1 GLU A 18 2.299 7.019 -7.042 1.00 0.00 O ATOM 226 OE2 GLU A 18 0.544 7.777 -6.050 1.00 0.00 O ATOM 0 H GLU A 18 1.147 5.046 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 18 3.962 5.623 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.786 5.505 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.441 5.924 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.868 7.903 -3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.397 7.901 -4.810 1.00 0.00 H new ATOM 233 N ALA A 19 2.934 2.827 -4.545 1.00 0.00 N ATOM 234 CA ALA A 19 3.433 1.525 -4.028 1.00 0.00 C ATOM 235 C ALA A 19 4.223 0.813 -5.124 1.00 0.00 C ATOM 236 O ALA A 19 5.321 0.359 -4.909 1.00 0.00 O ATOM 237 CB ALA A 19 2.253 0.653 -3.603 1.00 0.00 C ATOM 0 H ALA A 19 1.919 2.910 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 19 4.079 1.702 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.623 -0.300 -3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.689 1.160 -2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.604 0.476 -4.461 1.00 0.00 H new ATOM 243 N SER A 20 3.683 0.703 -6.301 1.00 0.00 N ATOM 244 CA SER A 20 4.442 0.013 -7.376 1.00 0.00 C ATOM 245 C SER A 20 5.825 0.661 -7.526 1.00 0.00 C ATOM 246 O SER A 20 6.820 -0.015 -7.652 1.00 0.00 O ATOM 247 CB SER A 20 3.677 0.117 -8.689 1.00 0.00 C ATOM 248 OG SER A 20 3.807 1.434 -9.209 1.00 0.00 O ATOM 0 H SER A 20 2.763 1.055 -6.564 1.00 0.00 H new ATOM 0 HA SER A 20 4.565 -1.038 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.063 -0.608 -9.406 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.625 -0.121 -8.530 1.00 0.00 H new ATOM 0 HG SER A 20 3.549 2.084 -8.522 1.00 0.00 H new ATOM 254 N LYS A 21 5.903 1.962 -7.510 1.00 0.00 N ATOM 255 CA LYS A 21 7.236 2.625 -7.644 1.00 0.00 C ATOM 256 C LYS A 21 8.031 2.441 -6.345 1.00 0.00 C ATOM 257 O LYS A 21 9.114 1.899 -6.331 1.00 0.00 O ATOM 258 CB LYS A 21 7.039 4.120 -7.912 1.00 0.00 C ATOM 259 CG LYS A 21 8.367 4.743 -8.365 1.00 0.00 C ATOM 260 CD LYS A 21 8.316 6.277 -8.217 1.00 0.00 C ATOM 261 CE LYS A 21 8.746 6.690 -6.803 1.00 0.00 C ATOM 262 NZ LYS A 21 8.448 8.135 -6.594 1.00 0.00 N ATOM 0 H LYS A 21 5.109 2.594 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 21 7.783 2.176 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.278 4.265 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.682 4.617 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.187 4.340 -7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.566 4.477 -9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.971 6.742 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.306 6.635 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.220 6.089 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.811 6.504 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.740 8.415 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.969 8.702 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.427 8.299 -6.707 1.00 0.00 H new ATOM 276 N TYR A 22 7.482 2.905 -5.263 1.00 0.00 N ATOM 277 CA TYR A 22 8.151 2.797 -3.928 1.00 0.00 C ATOM 278 C TYR A 22 8.311 1.316 -3.537 1.00 0.00 C ATOM 279 O TYR A 22 9.398 0.833 -3.287 1.00 0.00 O ATOM 280 CB TYR A 22 7.225 3.502 -2.928 1.00 0.00 C ATOM 281 CG TYR A 22 7.971 4.065 -1.742 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.561 5.331 -1.820 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.018 3.343 -0.546 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.200 5.875 -0.700 1.00 0.00 C ATOM 285 CE2 TYR A 22 8.661 3.877 0.573 1.00 0.00 C ATOM 286 CZ TYR A 22 9.251 5.147 0.499 1.00 0.00 C ATOM 287 OH TYR A 22 9.881 5.680 1.605 1.00 0.00 O ATOM 0 H TYR A 22 6.573 3.368 -5.241 1.00 0.00 H new ATOM 0 HA TYR A 22 9.143 3.248 -3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.695 4.308 -3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.471 2.797 -2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.523 5.888 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.555 2.369 -0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.653 6.854 -0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.704 3.313 1.493 1.00 0.00 H new ATOM 0 HH TYR A 22 9.824 5.047 2.351 1.00 0.00 H new ATOM 297 N PHE A 23 7.216 0.609 -3.484 1.00 0.00 N ATOM 298 CA PHE A 23 7.221 -0.835 -3.114 1.00 0.00 C ATOM 299 C PHE A 23 7.263 -1.685 -4.383 1.00 0.00 C ATOM 300 O PHE A 23 6.303 -2.348 -4.707 1.00 0.00 O ATOM 301 CB PHE A 23 5.935 -1.156 -2.335 1.00 0.00 C ATOM 302 CG PHE A 23 6.091 -0.726 -0.898 1.00 0.00 C ATOM 303 CD1 PHE A 23 6.637 -1.614 0.029 1.00 0.00 C ATOM 304 CD2 PHE A 23 5.705 0.557 -0.500 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.801 -1.226 1.360 1.00 0.00 C ATOM 306 CE2 PHE A 23 5.863 0.952 0.835 1.00 0.00 C ATOM 307 CZ PHE A 23 6.414 0.059 1.767 1.00 0.00 C ATOM 0 H PHE A 23 6.290 0.984 -3.688 1.00 0.00 H new ATOM 0 HA PHE A 23 8.094 -1.054 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.086 -0.644 -2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.725 -2.225 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.934 -2.604 -0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.285 1.243 -1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.225 -1.915 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.561 1.941 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.540 0.361 2.796 1.00 0.00 H new ATOM 317 N ARG A 24 8.350 -1.656 -5.106 1.00 0.00 N ATOM 318 CA ARG A 24 8.443 -2.460 -6.371 1.00 0.00 C ATOM 319 C ARG A 24 7.852 -3.855 -6.163 1.00 0.00 C ATOM 320 O ARG A 24 8.554 -4.797 -5.858 1.00 0.00 O ATOM 321 CB ARG A 24 9.914 -2.598 -6.804 1.00 0.00 C ATOM 322 CG ARG A 24 10.390 -1.334 -7.562 1.00 0.00 C ATOM 323 CD ARG A 24 10.993 -0.327 -6.579 1.00 0.00 C ATOM 324 NE ARG A 24 11.414 0.894 -7.325 1.00 0.00 N ATOM 325 CZ ARG A 24 11.704 1.991 -6.681 1.00 0.00 C ATOM 326 NH1 ARG A 24 11.629 2.024 -5.379 1.00 0.00 N ATOM 327 NH2 ARG A 24 12.072 3.056 -7.339 1.00 0.00 N ATOM 0 H ARG A 24 9.182 -1.111 -4.879 1.00 0.00 H new ATOM 0 HA ARG A 24 7.879 -1.941 -7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.541 -2.759 -5.927 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.028 -3.474 -7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.130 -1.608 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.552 -0.880 -8.091 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.263 -0.066 -5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.848 -0.768 -6.067 1.00 0.00 H new ATOM 0 HE ARG A 24 11.475 0.871 -8.343 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.343 1.192 -4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.856 2.882 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.133 3.031 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.299 3.914 -6.835 1.00 0.00 H new ATOM 341 N ILE A 25 6.566 -3.987 -6.346 1.00 0.00 N ATOM 342 CA ILE A 25 5.899 -5.314 -6.180 1.00 0.00 C ATOM 343 C ILE A 25 4.883 -5.483 -7.324 1.00 0.00 C ATOM 344 O ILE A 25 4.620 -4.561 -8.069 1.00 0.00 O ATOM 345 CB ILE A 25 5.218 -5.358 -4.776 1.00 0.00 C ATOM 346 CG1 ILE A 25 5.588 -6.660 -4.035 1.00 0.00 C ATOM 347 CG2 ILE A 25 3.688 -5.257 -4.883 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.994 -6.535 -3.435 1.00 0.00 C ATOM 0 H ILE A 25 5.941 -3.224 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 25 6.612 -6.137 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 25 5.584 -4.498 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.862 -6.859 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.550 -7.504 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.250 -5.291 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.418 -4.318 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.309 -6.091 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.250 -7.457 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.715 -6.357 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.017 -5.702 -2.732 1.00 0.00 H new ATOM 360 N GLY A 26 4.320 -6.650 -7.472 1.00 0.00 N ATOM 361 CA GLY A 26 3.334 -6.866 -8.571 1.00 0.00 C ATOM 362 C GLY A 26 2.145 -5.916 -8.408 1.00 0.00 C ATOM 363 O GLY A 26 1.390 -6.005 -7.460 1.00 0.00 O ATOM 0 H GLY A 26 4.499 -7.462 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.812 -6.700 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.987 -7.899 -8.561 1.00 0.00 H new ATOM 367 N GLU A 27 1.965 -5.016 -9.338 1.00 0.00 N ATOM 368 CA GLU A 27 0.816 -4.069 -9.252 1.00 0.00 C ATOM 369 C GLU A 27 -0.467 -4.863 -8.988 1.00 0.00 C ATOM 370 O GLU A 27 -1.255 -4.535 -8.123 1.00 0.00 O ATOM 371 CB GLU A 27 0.671 -3.332 -10.586 1.00 0.00 C ATOM 372 CG GLU A 27 1.814 -2.331 -10.752 1.00 0.00 C ATOM 373 CD GLU A 27 1.862 -1.846 -12.202 1.00 0.00 C ATOM 374 OE1 GLU A 27 1.973 -2.683 -13.082 1.00 0.00 O ATOM 375 OE2 GLU A 27 1.785 -0.646 -12.406 1.00 0.00 O ATOM 0 H GLU A 27 2.565 -4.896 -10.154 1.00 0.00 H new ATOM 0 HA GLU A 27 0.988 -3.354 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.679 -4.046 -11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.287 -2.813 -10.623 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.671 -1.485 -10.079 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.762 -2.797 -10.482 1.00 0.00 H new ATOM 382 N ASN A 28 -0.677 -5.903 -9.749 1.00 0.00 N ATOM 383 CA ASN A 28 -1.901 -6.740 -9.586 1.00 0.00 C ATOM 384 C ASN A 28 -1.921 -7.399 -8.208 1.00 0.00 C ATOM 385 O ASN A 28 -2.968 -7.708 -7.676 1.00 0.00 O ATOM 386 CB ASN A 28 -1.902 -7.836 -10.648 1.00 0.00 C ATOM 387 CG ASN A 28 -1.967 -7.209 -12.041 1.00 0.00 C ATOM 388 OD1 ASN A 28 -1.998 -7.909 -13.034 1.00 0.00 O ATOM 389 ND2 ASN A 28 -1.990 -5.910 -12.159 1.00 0.00 N ATOM 0 H ASN A 28 -0.044 -6.212 -10.487 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.778 -6.101 -9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.003 -8.445 -10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.754 -8.499 -10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.034 -5.483 -13.084 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.964 -5.322 -11.326 1.00 0.00 H new ATOM 396 N LYS A 29 -0.778 -7.627 -7.626 1.00 0.00 N ATOM 397 CA LYS A 29 -0.754 -8.275 -6.288 1.00 0.00 C ATOM 398 C LYS A 29 -1.380 -7.320 -5.276 1.00 0.00 C ATOM 399 O LYS A 29 -2.384 -7.617 -4.662 1.00 0.00 O ATOM 400 CB LYS A 29 0.699 -8.560 -5.889 1.00 0.00 C ATOM 401 CG LYS A 29 0.740 -9.457 -4.636 1.00 0.00 C ATOM 402 CD LYS A 29 2.029 -9.198 -3.848 1.00 0.00 C ATOM 403 CE LYS A 29 3.240 -9.519 -4.724 1.00 0.00 C ATOM 404 NZ LYS A 29 3.087 -10.885 -5.298 1.00 0.00 N ATOM 0 H LYS A 29 0.135 -7.394 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.311 -9.212 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.221 -9.048 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.220 -7.623 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.127 -9.257 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.687 -10.506 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.067 -8.158 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.046 -9.812 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.329 -8.784 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.155 -9.461 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.014 -11.234 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.706 -11.526 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.434 -10.851 -6.107 1.00 0.00 H new ATOM 418 N LEU A 30 -0.795 -6.169 -5.118 1.00 0.00 N ATOM 419 CA LEU A 30 -1.337 -5.157 -4.160 1.00 0.00 C ATOM 420 C LEU A 30 -2.863 -5.088 -4.271 1.00 0.00 C ATOM 421 O LEU A 30 -3.569 -5.113 -3.283 1.00 0.00 O ATOM 422 CB LEU A 30 -0.753 -3.790 -4.512 1.00 0.00 C ATOM 423 CG LEU A 30 0.771 -3.806 -4.335 1.00 0.00 C ATOM 424 CD1 LEU A 30 1.380 -2.592 -5.049 1.00 0.00 C ATOM 425 CD2 LEU A 30 1.140 -3.762 -2.840 1.00 0.00 C ATOM 0 H LEU A 30 0.046 -5.878 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.066 -5.441 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.005 -3.532 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.193 -3.023 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 30 1.166 -4.726 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.463 -2.602 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.137 -2.634 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.974 -1.676 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.225 -3.774 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.741 -2.851 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.716 -4.630 -2.335 1.00 0.00 H new ATOM 437 N ARG A 31 -3.372 -4.990 -5.466 1.00 0.00 N ATOM 438 CA ARG A 31 -4.849 -4.907 -5.646 1.00 0.00 C ATOM 439 C ARG A 31 -5.502 -6.236 -5.256 1.00 0.00 C ATOM 440 O ARG A 31 -6.673 -6.291 -4.937 1.00 0.00 O ATOM 441 CB ARG A 31 -5.156 -4.600 -7.114 1.00 0.00 C ATOM 442 CG ARG A 31 -6.602 -4.117 -7.250 1.00 0.00 C ATOM 443 CD ARG A 31 -6.902 -3.821 -8.721 1.00 0.00 C ATOM 444 NE ARG A 31 -8.312 -3.361 -8.860 1.00 0.00 N ATOM 445 CZ ARG A 31 -8.702 -2.777 -9.961 1.00 0.00 C ATOM 446 NH1 ARG A 31 -7.853 -2.587 -10.934 1.00 0.00 N ATOM 447 NH2 ARG A 31 -9.939 -2.382 -10.089 1.00 0.00 N ATOM 0 H ARG A 31 -2.828 -4.964 -6.329 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.247 -4.117 -5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.472 -3.838 -7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.002 -5.492 -7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.288 -4.876 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.756 -3.221 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.221 -3.057 -9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.739 -4.715 -9.323 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.972 -3.502 -8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.886 -2.895 -10.834 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.157 -2.131 -11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.603 -2.529 -9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.242 -1.926 -10.949 1.00 0.00 H new ATOM 461 N ARG A 32 -4.761 -7.311 -5.291 1.00 0.00 N ATOM 462 CA ARG A 32 -5.351 -8.637 -4.935 1.00 0.00 C ATOM 463 C ARG A 32 -5.304 -8.850 -3.418 1.00 0.00 C ATOM 464 O ARG A 32 -6.221 -9.392 -2.838 1.00 0.00 O ATOM 465 CB ARG A 32 -4.563 -9.753 -5.634 1.00 0.00 C ATOM 466 CG ARG A 32 -4.931 -9.801 -7.130 1.00 0.00 C ATOM 467 CD ARG A 32 -6.197 -10.650 -7.350 1.00 0.00 C ATOM 468 NE ARG A 32 -5.806 -12.069 -7.579 1.00 0.00 N ATOM 469 CZ ARG A 32 -6.706 -13.012 -7.513 1.00 0.00 C ATOM 470 NH1 ARG A 32 -7.948 -12.712 -7.245 1.00 0.00 N ATOM 471 NH2 ARG A 32 -6.365 -14.255 -7.718 1.00 0.00 N ATOM 0 H ARG A 32 -3.775 -7.330 -5.550 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.390 -8.660 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.493 -9.580 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.783 -10.713 -5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.096 -8.790 -7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.102 -10.220 -7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.853 -10.577 -6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.757 -10.273 -8.205 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.835 -12.304 -7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.215 -11.740 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.651 -13.449 -7.194 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.395 -14.489 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.068 -14.992 -7.666 1.00 0.00 H new ATOM 485 N LEU A 33 -4.247 -8.436 -2.771 1.00 0.00 N ATOM 486 CA LEU A 33 -4.161 -8.630 -1.292 1.00 0.00 C ATOM 487 C LEU A 33 -5.260 -7.818 -0.608 1.00 0.00 C ATOM 488 O LEU A 33 -5.751 -8.177 0.443 1.00 0.00 O ATOM 489 CB LEU A 33 -2.796 -8.160 -0.778 1.00 0.00 C ATOM 490 CG LEU A 33 -1.676 -8.792 -1.601 1.00 0.00 C ATOM 491 CD1 LEU A 33 -0.351 -8.111 -1.254 1.00 0.00 C ATOM 492 CD2 LEU A 33 -1.578 -10.292 -1.295 1.00 0.00 C ATOM 0 H LEU A 33 -3.444 -7.975 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.286 -9.689 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.732 -7.073 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.682 -8.430 0.272 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.892 -8.662 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.452 -8.559 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.418 -7.047 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.142 -8.241 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.776 -10.733 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.366 -10.434 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.522 -10.777 -1.545 1.00 0.00 H new ATOM 504 N ALA A 34 -5.645 -6.721 -1.197 1.00 0.00 N ATOM 505 CA ALA A 34 -6.709 -5.876 -0.584 1.00 0.00 C ATOM 506 C ALA A 34 -8.083 -6.428 -0.961 1.00 0.00 C ATOM 507 O ALA A 34 -8.826 -6.907 -0.127 1.00 0.00 O ATOM 508 CB ALA A 34 -6.584 -4.445 -1.112 1.00 0.00 C ATOM 0 H ALA A 34 -5.268 -6.372 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.597 -5.883 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.361 -3.824 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.604 -4.045 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.698 -4.446 -2.196 1.00 0.00 H new ATOM 514 N GLU A 35 -8.426 -6.353 -2.215 1.00 0.00 N ATOM 515 CA GLU A 35 -9.752 -6.856 -2.667 1.00 0.00 C ATOM 516 C GLU A 35 -10.035 -8.232 -2.054 1.00 0.00 C ATOM 517 O GLU A 35 -11.172 -8.592 -1.829 1.00 0.00 O ATOM 518 CB GLU A 35 -9.750 -6.963 -4.196 1.00 0.00 C ATOM 519 CG GLU A 35 -9.942 -5.574 -4.813 1.00 0.00 C ATOM 520 CD GLU A 35 -10.048 -5.701 -6.334 1.00 0.00 C ATOM 521 OE1 GLU A 35 -9.426 -6.598 -6.879 1.00 0.00 O ATOM 522 OE2 GLU A 35 -10.749 -4.899 -6.928 1.00 0.00 O ATOM 0 H GLU A 35 -7.840 -5.962 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.530 -6.164 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.810 -7.396 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.547 -7.630 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.842 -5.108 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.105 -4.928 -4.549 1.00 0.00 H new ATOM 529 N GLU A 36 -9.022 -9.013 -1.790 1.00 0.00 N ATOM 530 CA GLU A 36 -9.267 -10.367 -1.201 1.00 0.00 C ATOM 531 C GLU A 36 -9.381 -10.262 0.325 1.00 0.00 C ATOM 532 O GLU A 36 -9.876 -11.160 0.977 1.00 0.00 O ATOM 533 CB GLU A 36 -8.125 -11.323 -1.593 1.00 0.00 C ATOM 534 CG GLU A 36 -6.894 -11.103 -0.704 1.00 0.00 C ATOM 535 CD GLU A 36 -5.697 -11.846 -1.301 1.00 0.00 C ATOM 536 OE1 GLU A 36 -5.354 -11.561 -2.437 1.00 0.00 O ATOM 537 OE2 GLU A 36 -5.143 -12.688 -0.613 1.00 0.00 O ATOM 0 H GLU A 36 -8.043 -8.778 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.204 -10.764 -1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.463 -12.355 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.856 -11.165 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.673 -10.038 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.092 -11.462 0.306 1.00 0.00 H new ATOM 544 N ASN A 37 -8.924 -9.177 0.901 1.00 0.00 N ATOM 545 CA ASN A 37 -9.001 -9.016 2.389 1.00 0.00 C ATOM 546 C ASN A 37 -9.435 -7.590 2.736 1.00 0.00 C ATOM 547 O ASN A 37 -8.725 -6.861 3.400 1.00 0.00 O ATOM 548 CB ASN A 37 -7.624 -9.290 2.998 1.00 0.00 C ATOM 549 CG ASN A 37 -7.255 -10.759 2.785 1.00 0.00 C ATOM 550 OD1 ASN A 37 -8.103 -11.627 2.859 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.018 -11.078 2.519 1.00 0.00 N ATOM 0 H ASN A 37 -8.500 -8.393 0.405 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.730 -9.720 2.791 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.876 -8.646 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.633 -9.057 4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.763 -12.055 2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.306 -10.350 2.457 1.00 0.00 H new ATOM 558 N LYS A 38 -10.599 -7.187 2.301 1.00 0.00 N ATOM 559 CA LYS A 38 -11.077 -5.809 2.620 1.00 0.00 C ATOM 560 C LYS A 38 -10.880 -5.537 4.115 1.00 0.00 C ATOM 561 O LYS A 38 -10.924 -4.408 4.564 1.00 0.00 O ATOM 562 CB LYS A 38 -12.570 -5.682 2.287 1.00 0.00 C ATOM 563 CG LYS A 38 -12.793 -5.657 0.760 1.00 0.00 C ATOM 564 CD LYS A 38 -12.831 -7.085 0.190 1.00 0.00 C ATOM 565 CE LYS A 38 -13.435 -7.058 -1.217 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.575 -8.452 -1.724 1.00 0.00 N ATOM 0 H LYS A 38 -11.238 -7.750 1.740 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.509 -5.091 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.117 -6.517 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.970 -4.771 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.728 -5.145 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.995 -5.090 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.824 -7.502 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.422 -7.731 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.408 -6.567 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.799 -6.478 -1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.047 -8.439 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.633 -8.882 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.143 -9.010 -1.054 1.00 0.00 H new ATOM 580 N ASN A 39 -10.674 -6.570 4.889 1.00 0.00 N ATOM 581 CA ASN A 39 -10.484 -6.399 6.360 1.00 0.00 C ATOM 582 C ASN A 39 -8.991 -6.434 6.688 1.00 0.00 C ATOM 583 O ASN A 39 -8.597 -6.563 7.830 1.00 0.00 O ATOM 584 CB ASN A 39 -11.190 -7.547 7.085 1.00 0.00 C ATOM 585 CG ASN A 39 -12.700 -7.304 7.084 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.195 -6.482 6.338 1.00 0.00 O ATOM 587 ND2 ASN A 39 -13.457 -7.989 7.896 1.00 0.00 N ATOM 0 H ASN A 39 -10.629 -7.535 4.561 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.901 -5.444 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.964 -8.494 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.825 -7.623 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.465 -7.835 7.905 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.041 -8.679 8.522 1.00 0.00 H new ATOM 594 N ALA A 40 -8.159 -6.324 5.692 1.00 0.00 N ATOM 595 CA ALA A 40 -6.691 -6.354 5.936 1.00 0.00 C ATOM 596 C ALA A 40 -6.326 -5.297 6.987 1.00 0.00 C ATOM 597 O ALA A 40 -6.923 -4.246 7.062 1.00 0.00 O ATOM 598 CB ALA A 40 -5.964 -6.056 4.617 1.00 0.00 C ATOM 0 H ALA A 40 -8.433 -6.214 4.716 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.392 -7.336 6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.887 -6.075 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.231 -6.810 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.258 -5.071 4.254 1.00 0.00 H new ATOM 604 N ASN A 41 -5.348 -5.572 7.802 1.00 0.00 N ATOM 605 CA ASN A 41 -4.935 -4.580 8.835 1.00 0.00 C ATOM 606 C ASN A 41 -4.012 -3.533 8.198 1.00 0.00 C ATOM 607 O ASN A 41 -3.798 -2.466 8.737 1.00 0.00 O ATOM 608 CB ASN A 41 -4.186 -5.302 9.958 1.00 0.00 C ATOM 609 CG ASN A 41 -3.230 -6.333 9.353 1.00 0.00 C ATOM 610 OD1 ASN A 41 -3.594 -7.475 9.156 1.00 0.00 O ATOM 611 ND2 ASN A 41 -2.012 -5.975 9.050 1.00 0.00 N ATOM 0 H ASN A 41 -4.815 -6.442 7.798 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.818 -4.087 9.241 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.629 -4.583 10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.894 -5.794 10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.366 -6.654 8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.706 -5.016 9.215 1.00 0.00 H new ATOM 618 N TRP A 42 -3.429 -3.858 7.072 1.00 0.00 N ATOM 619 CA TRP A 42 -2.469 -2.919 6.405 1.00 0.00 C ATOM 620 C TRP A 42 -3.137 -2.111 5.279 1.00 0.00 C ATOM 621 O TRP A 42 -2.582 -1.137 4.810 1.00 0.00 O ATOM 622 CB TRP A 42 -1.335 -3.746 5.800 1.00 0.00 C ATOM 623 CG TRP A 42 -1.936 -4.853 5.002 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.092 -6.127 5.430 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.480 -4.803 3.654 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.703 -6.861 4.430 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.961 -6.088 3.314 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.602 -3.775 2.701 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.546 -6.345 2.076 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.188 -4.030 1.452 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.661 -5.311 1.141 1.00 0.00 C ATOM 0 H TRP A 42 -3.576 -4.740 6.581 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.105 -2.215 7.153 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.705 -3.121 5.167 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.697 -4.148 6.587 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.789 -6.508 6.394 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.935 -7.851 4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.242 -2.783 2.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.908 -7.335 1.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.275 -3.234 0.727 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.115 -5.500 0.179 1.00 0.00 H new ATOM 642 N LEU A 43 -4.297 -2.501 4.813 1.00 0.00 N ATOM 643 CA LEU A 43 -4.945 -1.744 3.695 1.00 0.00 C ATOM 644 C LEU A 43 -5.844 -0.637 4.260 1.00 0.00 C ATOM 645 O LEU A 43 -6.203 -0.645 5.420 1.00 0.00 O ATOM 646 CB LEU A 43 -5.749 -2.752 2.833 1.00 0.00 C ATOM 647 CG LEU A 43 -7.262 -2.813 3.206 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.480 -2.923 4.738 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.024 -1.584 2.630 1.00 0.00 C ATOM 0 H LEU A 43 -4.822 -3.306 5.155 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.195 -1.259 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.652 -2.479 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.314 -3.745 2.946 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.668 -3.718 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.548 -2.963 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.002 -3.829 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.043 -2.054 5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.077 -1.648 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.598 -0.668 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.931 -1.574 1.544 1.00 0.00 H new ATOM 661 N ILE A 44 -6.194 0.327 3.444 1.00 0.00 N ATOM 662 CA ILE A 44 -7.054 1.452 3.915 1.00 0.00 C ATOM 663 C ILE A 44 -8.078 1.787 2.820 1.00 0.00 C ATOM 664 O ILE A 44 -7.727 2.123 1.706 1.00 0.00 O ATOM 665 CB ILE A 44 -6.128 2.659 4.218 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.838 2.730 5.730 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.753 3.985 3.758 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.544 3.505 5.968 1.00 0.00 C ATOM 0 H ILE A 44 -5.917 0.381 2.464 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.604 1.189 4.819 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.201 2.510 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.665 3.217 6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.752 1.724 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.074 4.806 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.930 3.950 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.699 4.140 4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.341 3.554 7.038 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.720 3.000 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.647 4.515 5.572 1.00 0.00 H new ATOM 680 N MET A 45 -9.345 1.702 3.143 1.00 0.00 N ATOM 681 CA MET A 45 -10.414 2.017 2.145 1.00 0.00 C ATOM 682 C MET A 45 -10.963 3.419 2.438 1.00 0.00 C ATOM 683 O MET A 45 -11.578 3.657 3.459 1.00 0.00 O ATOM 684 CB MET A 45 -11.547 0.965 2.266 1.00 0.00 C ATOM 685 CG MET A 45 -11.558 0.012 1.055 1.00 0.00 C ATOM 686 SD MET A 45 -12.556 0.752 -0.269 1.00 0.00 S ATOM 687 CE MET A 45 -11.406 0.479 -1.638 1.00 0.00 C ATOM 0 H MET A 45 -9.687 1.425 4.063 1.00 0.00 H new ATOM 0 HA MET A 45 -10.010 1.990 1.133 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.416 0.390 3.183 1.00 0.00 H new ATOM 0 HB3 MET A 45 -12.509 1.471 2.342 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.541 -0.165 0.706 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.970 -0.956 1.341 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.886 0.755 -2.577 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.516 1.091 -1.493 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.122 -0.573 -1.671 1.00 0.00 H new ATOM 697 N ASN A 46 -10.750 4.336 1.535 1.00 0.00 N ATOM 698 CA ASN A 46 -11.255 5.732 1.711 1.00 0.00 C ATOM 699 C ASN A 46 -12.182 6.052 0.540 1.00 0.00 C ATOM 700 O ASN A 46 -11.784 6.659 -0.434 1.00 0.00 O ATOM 701 CB ASN A 46 -10.074 6.705 1.709 1.00 0.00 C ATOM 702 CG ASN A 46 -9.176 6.422 2.915 1.00 0.00 C ATOM 703 OD1 ASN A 46 -7.978 6.613 2.854 1.00 0.00 O ATOM 704 ND2 ASN A 46 -9.709 5.968 4.018 1.00 0.00 N ATOM 0 H ASN A 46 -10.239 4.176 0.667 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.791 5.826 2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.504 6.600 0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.436 7.733 1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.119 5.774 4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.715 5.807 4.070 1.00 0.00 H new ATOM 711 N GLY A 47 -13.413 5.624 0.617 1.00 0.00 N ATOM 712 CA GLY A 47 -14.362 5.879 -0.501 1.00 0.00 C ATOM 713 C GLY A 47 -14.160 4.810 -1.566 1.00 0.00 C ATOM 714 O GLY A 47 -14.903 3.852 -1.651 1.00 0.00 O ATOM 0 H GLY A 47 -13.801 5.109 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.389 5.860 -0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.192 6.870 -0.923 1.00 0.00 H new ATOM 718 N ASN A 48 -13.158 4.970 -2.384 1.00 0.00 N ATOM 719 CA ASN A 48 -12.901 3.970 -3.455 1.00 0.00 C ATOM 720 C ASN A 48 -11.402 3.930 -3.778 1.00 0.00 C ATOM 721 O ASN A 48 -10.986 3.338 -4.754 1.00 0.00 O ATOM 722 CB ASN A 48 -13.698 4.387 -4.695 1.00 0.00 C ATOM 723 CG ASN A 48 -13.930 3.176 -5.603 1.00 0.00 C ATOM 724 OD1 ASN A 48 -13.329 3.066 -6.653 1.00 0.00 O ATOM 725 ND2 ASN A 48 -14.783 2.258 -5.240 1.00 0.00 N ATOM 0 H ASN A 48 -12.505 5.753 -2.356 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.209 2.976 -3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.655 4.815 -4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.159 5.162 -5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.945 1.448 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.287 2.351 -4.358 1.00 0.00 H new ATOM 732 N ARG A 49 -10.589 4.568 -2.969 1.00 0.00 N ATOM 733 CA ARG A 49 -9.112 4.586 -3.227 1.00 0.00 C ATOM 734 C ARG A 49 -8.402 3.636 -2.255 1.00 0.00 C ATOM 735 O ARG A 49 -8.376 3.860 -1.061 1.00 0.00 O ATOM 736 CB ARG A 49 -8.569 6.010 -3.021 1.00 0.00 C ATOM 737 CG ARG A 49 -9.487 7.043 -3.691 1.00 0.00 C ATOM 738 CD ARG A 49 -9.417 6.898 -5.213 1.00 0.00 C ATOM 739 NE ARG A 49 -7.995 6.946 -5.656 1.00 0.00 N ATOM 740 CZ ARG A 49 -7.670 6.542 -6.854 1.00 0.00 C ATOM 741 NH1 ARG A 49 -8.589 6.092 -7.663 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.424 6.587 -7.241 1.00 0.00 N ATOM 0 H ARG A 49 -10.886 5.079 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.928 4.265 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.490 6.224 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.564 6.085 -3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.513 6.904 -3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.188 8.050 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.872 5.956 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.984 7.697 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.275 7.295 -5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.562 6.056 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.334 5.776 -8.599 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.706 6.938 -6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.169 6.272 -8.177 1.00 0.00 H new ATOM 756 N ILE A 50 -7.814 2.583 -2.761 1.00 0.00 N ATOM 757 CA ILE A 50 -7.092 1.624 -1.872 1.00 0.00 C ATOM 758 C ILE A 50 -5.667 2.130 -1.636 1.00 0.00 C ATOM 759 O ILE A 50 -4.838 2.072 -2.523 1.00 0.00 O ATOM 760 CB ILE A 50 -7.021 0.248 -2.543 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.433 -0.306 -2.738 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.222 -0.711 -1.656 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.376 -1.540 -3.640 1.00 0.00 C ATOM 0 H ILE A 50 -7.803 2.345 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.625 1.543 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.533 0.347 -3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.869 -0.567 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.075 0.454 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.171 -1.690 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.213 -0.322 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.712 -0.804 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.382 -1.936 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.957 -1.264 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.748 -2.301 -3.176 1.00 0.00 H new ATOM 775 N GLN A 51 -5.366 2.616 -0.450 1.00 0.00 N ATOM 776 CA GLN A 51 -3.978 3.115 -0.166 1.00 0.00 C ATOM 777 C GLN A 51 -3.236 2.072 0.681 1.00 0.00 C ATOM 778 O GLN A 51 -3.831 1.332 1.440 1.00 0.00 O ATOM 779 CB GLN A 51 -4.043 4.480 0.567 1.00 0.00 C ATOM 780 CG GLN A 51 -2.931 5.410 0.042 1.00 0.00 C ATOM 781 CD GLN A 51 -2.965 6.754 0.777 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.849 7.004 1.572 1.00 0.00 O ATOM 783 NE2 GLN A 51 -2.026 7.640 0.540 1.00 0.00 N ATOM 0 H GLN A 51 -6.019 2.688 0.330 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.438 3.262 -1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.018 4.941 0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.929 4.332 1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.958 4.938 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.058 5.571 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.284 7.430 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.039 8.538 1.023 1.00 0.00 H new ATOM 792 N ILE A 52 -1.940 1.993 0.525 1.00 0.00 N ATOM 793 CA ILE A 52 -1.135 0.983 1.280 1.00 0.00 C ATOM 794 C ILE A 52 -0.570 1.589 2.571 1.00 0.00 C ATOM 795 O ILE A 52 -0.320 2.774 2.658 1.00 0.00 O ATOM 796 CB ILE A 52 0.039 0.541 0.405 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.464 0.087 -0.978 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.797 -0.595 1.093 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.499 -1.033 -0.850 1.00 0.00 C ATOM 0 H ILE A 52 -1.398 2.591 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.779 0.141 1.533 1.00 0.00 H new ATOM 0 HB ILE A 52 0.714 1.385 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.904 0.934 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.377 -0.259 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.632 -0.907 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.174 -0.250 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.125 -1.439 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.836 -1.333 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.049 -1.888 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.351 -0.677 -0.270 1.00 0.00 H new ATOM 811 N LYS A 53 -0.344 0.769 3.568 1.00 0.00 N ATOM 812 CA LYS A 53 0.230 1.278 4.851 1.00 0.00 C ATOM 813 C LYS A 53 1.757 1.340 4.728 1.00 0.00 C ATOM 814 O LYS A 53 2.414 0.349 4.493 1.00 0.00 O ATOM 815 CB LYS A 53 -0.175 0.341 6.007 1.00 0.00 C ATOM 816 CG LYS A 53 -1.494 0.817 6.650 1.00 0.00 C ATOM 817 CD LYS A 53 -1.280 2.144 7.420 1.00 0.00 C ATOM 818 CE LYS A 53 -2.226 2.211 8.625 1.00 0.00 C ATOM 819 NZ LYS A 53 -1.817 1.190 9.632 1.00 0.00 N ATOM 0 H LYS A 53 -0.533 -0.233 3.548 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.154 2.277 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.291 -0.677 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.615 0.317 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.251 0.957 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.869 0.053 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.245 2.216 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.461 2.991 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.199 3.206 9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.253 2.032 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.064 1.524 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.311 0.295 9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.790 1.037 9.574 1.00 0.00 H new ATOM 833 N ARG A 54 2.320 2.504 4.885 1.00 0.00 N ATOM 834 CA ARG A 54 3.799 2.646 4.778 1.00 0.00 C ATOM 835 C ARG A 54 4.477 1.955 5.967 1.00 0.00 C ATOM 836 O ARG A 54 5.150 0.959 5.815 1.00 0.00 O ATOM 837 CB ARG A 54 4.156 4.136 4.804 1.00 0.00 C ATOM 838 CG ARG A 54 5.647 4.337 4.452 1.00 0.00 C ATOM 839 CD ARG A 54 6.196 5.611 5.129 1.00 0.00 C ATOM 840 NE ARG A 54 6.835 5.247 6.425 1.00 0.00 N ATOM 841 CZ ARG A 54 7.622 6.099 7.025 1.00 0.00 C ATOM 842 NH1 ARG A 54 7.854 7.265 6.486 1.00 0.00 N ATOM 843 NH2 ARG A 54 8.180 5.784 8.162 1.00 0.00 N ATOM 0 H ARG A 54 1.817 3.369 5.084 1.00 0.00 H new ATOM 0 HA ARG A 54 4.140 2.188 3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.532 4.679 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.950 4.549 5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.223 3.470 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.764 4.413 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.921 6.098 4.478 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.389 6.324 5.297 1.00 0.00 H new ATOM 0 HE ARG A 54 6.658 4.334 6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.421 7.511 5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.469 7.930 6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.001 4.872 8.582 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.795 6.450 8.630 1.00 0.00 H new ATOM 857 N LYS A 55 4.316 2.499 7.143 1.00 0.00 N ATOM 858 CA LYS A 55 4.961 1.912 8.360 1.00 0.00 C ATOM 859 C LYS A 55 4.917 0.373 8.328 1.00 0.00 C ATOM 860 O LYS A 55 5.940 -0.279 8.275 1.00 0.00 O ATOM 861 CB LYS A 55 4.240 2.432 9.625 1.00 0.00 C ATOM 862 CG LYS A 55 2.728 2.641 9.348 1.00 0.00 C ATOM 863 CD LYS A 55 2.438 4.117 9.008 1.00 0.00 C ATOM 864 CE LYS A 55 2.266 4.930 10.297 1.00 0.00 C ATOM 865 NZ LYS A 55 2.201 6.381 9.966 1.00 0.00 N ATOM 0 H LYS A 55 3.759 3.335 7.317 1.00 0.00 H new ATOM 0 HA LYS A 55 6.007 2.218 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.370 1.722 10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.689 3.372 9.945 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.412 2.003 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.148 2.342 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.255 4.529 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.536 4.188 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.357 4.623 10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.098 4.738 10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.084 6.932 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.080 6.668 9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.393 6.557 9.335 1.00 0.00 H new ATOM 879 N GLN A 56 3.752 -0.211 8.387 1.00 0.00 N ATOM 880 CA GLN A 56 3.663 -1.702 8.389 1.00 0.00 C ATOM 881 C GLN A 56 4.379 -2.292 7.169 1.00 0.00 C ATOM 882 O GLN A 56 5.440 -2.871 7.283 1.00 0.00 O ATOM 883 CB GLN A 56 2.194 -2.129 8.363 1.00 0.00 C ATOM 884 CG GLN A 56 1.559 -1.867 9.729 1.00 0.00 C ATOM 885 CD GLN A 56 0.070 -2.212 9.672 1.00 0.00 C ATOM 886 OE1 GLN A 56 -0.696 -1.790 10.516 1.00 0.00 O ATOM 887 NE2 GLN A 56 -0.377 -2.965 8.705 1.00 0.00 N ATOM 0 H GLN A 56 2.858 0.277 8.434 1.00 0.00 H new ATOM 0 HA GLN A 56 4.144 -2.073 9.294 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.658 -1.578 7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.117 -3.187 8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.053 -2.467 10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.691 -0.822 10.009 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.265 -3.320 7.996 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.369 -3.199 8.658 1.00 0.00 H new ATOM 896 N PHE A 57 3.789 -2.173 6.009 1.00 0.00 N ATOM 897 CA PHE A 57 4.412 -2.749 4.779 1.00 0.00 C ATOM 898 C PHE A 57 5.926 -2.456 4.757 1.00 0.00 C ATOM 899 O PHE A 57 6.730 -3.332 4.525 1.00 0.00 O ATOM 900 CB PHE A 57 3.718 -2.148 3.538 1.00 0.00 C ATOM 901 CG PHE A 57 3.655 -3.171 2.412 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.820 -3.812 1.973 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.429 -3.471 1.803 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.764 -4.744 0.934 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.372 -4.403 0.761 1.00 0.00 C ATOM 906 CZ PHE A 57 3.539 -5.039 0.325 1.00 0.00 C ATOM 0 H PHE A 57 2.898 -1.699 5.859 1.00 0.00 H new ATOM 0 HA PHE A 57 4.283 -3.831 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.711 -1.824 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.261 -1.264 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.767 -3.585 2.440 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.526 -2.982 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.666 -5.237 0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.426 -4.632 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.495 -5.757 -0.481 1.00 0.00 H new ATOM 916 N GLU A 58 6.319 -1.237 4.992 1.00 0.00 N ATOM 917 CA GLU A 58 7.777 -0.902 4.977 1.00 0.00 C ATOM 918 C GLU A 58 8.564 -1.882 5.856 1.00 0.00 C ATOM 919 O GLU A 58 9.701 -2.209 5.571 1.00 0.00 O ATOM 920 CB GLU A 58 7.975 0.518 5.512 1.00 0.00 C ATOM 921 CG GLU A 58 9.425 0.955 5.295 1.00 0.00 C ATOM 922 CD GLU A 58 9.649 2.314 5.959 1.00 0.00 C ATOM 923 OE1 GLU A 58 8.870 2.660 6.831 1.00 0.00 O ATOM 924 OE2 GLU A 58 10.596 2.987 5.583 1.00 0.00 O ATOM 0 H GLU A 58 5.697 -0.455 5.194 1.00 0.00 H new ATOM 0 HA GLU A 58 8.142 -0.973 3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.298 1.205 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.729 0.554 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.106 0.215 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.642 1.018 4.229 1.00 0.00 H new ATOM 931 N LYS A 59 7.981 -2.342 6.930 1.00 0.00 N ATOM 932 CA LYS A 59 8.715 -3.277 7.833 1.00 0.00 C ATOM 933 C LYS A 59 8.858 -4.648 7.164 1.00 0.00 C ATOM 934 O LYS A 59 9.463 -5.545 7.719 1.00 0.00 O ATOM 935 CB LYS A 59 7.922 -3.426 9.162 1.00 0.00 C ATOM 936 CG LYS A 59 8.742 -2.928 10.359 1.00 0.00 C ATOM 937 CD LYS A 59 8.739 -1.393 10.383 1.00 0.00 C ATOM 938 CE LYS A 59 9.945 -0.888 11.166 1.00 0.00 C ATOM 939 NZ LYS A 59 9.843 -1.327 12.587 1.00 0.00 N ATOM 0 H LYS A 59 7.031 -2.112 7.221 1.00 0.00 H new ATOM 0 HA LYS A 59 9.709 -2.879 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.991 -2.864 9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.653 -4.472 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.323 -3.317 11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.765 -3.299 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.766 -1.004 9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.819 -1.029 10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.864 -1.270 10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.995 0.200 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.570 -0.844 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.901 -1.088 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.986 -2.355 12.644 1.00 0.00 H new ATOM 953 N ILE A 60 8.300 -4.829 5.993 1.00 0.00 N ATOM 954 CA ILE A 60 8.399 -6.158 5.311 1.00 0.00 C ATOM 955 C ILE A 60 8.773 -5.996 3.833 1.00 0.00 C ATOM 956 O ILE A 60 8.342 -6.758 3.004 1.00 0.00 O ATOM 957 CB ILE A 60 7.060 -6.893 5.426 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.923 -5.943 5.055 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.869 -7.378 6.866 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.597 -6.705 5.056 1.00 0.00 C ATOM 0 H ILE A 60 7.781 -4.116 5.480 1.00 0.00 H new ATOM 0 HA ILE A 60 9.183 -6.736 5.799 1.00 0.00 H new ATOM 0 HB ILE A 60 7.055 -7.747 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.880 -5.117 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.104 -5.509 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.917 -7.901 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.680 -8.056 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.874 -6.523 7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.787 -6.026 4.791 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.643 -7.516 4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.415 -7.117 6.049 1.00 0.00 H new ATOM 972 N ILE A 61 9.572 -5.026 3.480 1.00 0.00 N ATOM 973 CA ILE A 61 9.946 -4.883 2.035 1.00 0.00 C ATOM 974 C ILE A 61 11.124 -5.821 1.719 1.00 0.00 C ATOM 975 O ILE A 61 11.217 -6.370 0.640 1.00 0.00 O ATOM 976 CB ILE A 61 10.333 -3.427 1.736 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.900 -3.300 0.308 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.387 -2.964 2.739 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.929 -3.903 -0.715 1.00 0.00 C ATOM 0 H ILE A 61 9.978 -4.336 4.112 1.00 0.00 H new ATOM 0 HA ILE A 61 9.094 -5.152 1.410 1.00 0.00 H new ATOM 0 HB ILE A 61 9.442 -2.805 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.078 -2.250 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.863 -3.808 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.662 -1.931 2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.983 -3.032 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.270 -3.598 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.348 -3.803 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.773 -4.958 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.976 -3.377 -0.666 1.00 0.00 H new ATOM 991 N ASP A 62 12.027 -6.013 2.648 1.00 0.00 N ATOM 992 CA ASP A 62 13.200 -6.914 2.388 1.00 0.00 C ATOM 993 C ASP A 62 12.940 -8.313 2.960 1.00 0.00 C ATOM 994 O ASP A 62 13.721 -9.224 2.770 1.00 0.00 O ATOM 995 CB ASP A 62 14.444 -6.324 3.056 1.00 0.00 C ATOM 996 CG ASP A 62 14.259 -6.323 4.574 1.00 0.00 C ATOM 997 OD1 ASP A 62 13.320 -5.697 5.036 1.00 0.00 O ATOM 998 OD2 ASP A 62 15.060 -6.949 5.249 1.00 0.00 O ATOM 0 H ASP A 62 12.006 -5.587 3.575 1.00 0.00 H new ATOM 0 HA ASP A 62 13.351 -6.994 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.325 -6.907 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.613 -5.308 2.699 1.00 0.00 H new ATOM 1003 N THR A 63 11.858 -8.493 3.668 1.00 0.00 N ATOM 1004 CA THR A 63 11.559 -9.833 4.263 1.00 0.00 C ATOM 1005 C THR A 63 10.804 -10.695 3.243 1.00 0.00 C ATOM 1006 O THR A 63 10.669 -11.891 3.412 1.00 0.00 O ATOM 1007 CB THR A 63 10.726 -9.617 5.550 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.538 -9.901 6.678 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.468 -10.504 5.606 1.00 0.00 C ATOM 0 H THR A 63 11.165 -7.770 3.862 1.00 0.00 H new ATOM 0 HA THR A 63 12.479 -10.357 4.519 1.00 0.00 H new ATOM 0 HB THR A 63 10.393 -8.579 5.550 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.018 -9.765 7.498 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.925 -10.308 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.826 -10.279 4.754 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.761 -11.553 5.573 1.00 0.00 H new ATOM 1017 N LEU A 64 10.299 -10.104 2.201 1.00 0.00 N ATOM 1018 CA LEU A 64 9.543 -10.911 1.206 1.00 0.00 C ATOM 1019 C LEU A 64 10.533 -11.724 0.364 1.00 0.00 C ATOM 1020 O LEU A 64 10.299 -11.995 -0.797 1.00 0.00 O ATOM 1021 CB LEU A 64 8.707 -9.996 0.287 1.00 0.00 C ATOM 1022 CG LEU A 64 8.290 -8.708 1.010 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.514 -7.826 0.032 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.403 -9.030 2.228 1.00 0.00 C ATOM 0 H LEU A 64 10.375 -9.108 1.995 1.00 0.00 H new ATOM 0 HA LEU A 64 8.865 -11.582 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.285 -9.745 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.819 -10.530 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 64 9.182 -8.190 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.211 -6.906 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.148 -7.583 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.629 -8.359 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.119 -8.103 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.506 -9.554 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.956 -9.661 2.924 1.00 0.00 H new