USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 558 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 24 THR OG1 : rot -66:sc= 1.28 USER MOD Set 1.2: A 26 THR OG1 : rot -103:sc= 0.701 USER MOD Set 2.1: A 11 GLN : amide:sc= -1.98 K(o=-2,f=-4.1!) USER MOD Set 2.2: A 15 SER OG : rot 150:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.61) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.62) USER MOD Single : A 27 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.15) USER MOD Single : A 30 TYR OH : rot 180:sc=-0.00178 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 109:sc= 0.737 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -171:sc=-0.00205 (180deg=-0.102) USER MOD Single : A 47 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=-0.053) USER MOD Single : A 50 GLN : amide:sc= -2.37! C(o=-2.4!,f=-6.9!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 83:sc= 1.18 USER MOD Single : A 58 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.024) USER MOD Single : A 60 THR OG1 : rot -81:sc= 1.38 USER MOD Single : A 64 TYR OH : rot 180:sc=-0.00906 USER MOD Single : A 65 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.016) USER MOD Single : A 69 ASN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 3 -5.600 -8.201 -5.285 1.00 0.57 N ATOM 32 CA GLU A 3 -4.912 -7.966 -4.029 1.00 0.47 C ATOM 33 C GLU A 3 -3.611 -8.748 -3.991 1.00 0.42 C ATOM 34 O GLU A 3 -3.484 -9.794 -4.630 1.00 0.50 O ATOM 35 CB GLU A 3 -5.802 -8.371 -2.857 1.00 0.58 C ATOM 36 CG GLU A 3 -7.115 -7.611 -2.798 1.00 0.70 C ATOM 37 CD GLU A 3 -8.014 -8.095 -1.685 1.00 1.26 C ATOM 38 OE1 GLU A 3 -8.766 -9.064 -1.904 1.00 1.35 O ATOM 39 OE2 GLU A 3 -7.974 -7.503 -0.584 1.00 1.99 O ATOM 0 HA GLU A 3 -4.686 -6.903 -3.947 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -6.013 -9.438 -2.924 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -5.258 -8.211 -1.926 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.911 -6.549 -2.660 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.634 -7.714 -3.751 1.00 0.70 H new ATOM 46 N TRP A 4 -2.660 -8.252 -3.227 1.00 0.36 N ATOM 47 CA TRP A 4 -1.349 -8.863 -3.155 1.00 0.38 C ATOM 48 C TRP A 4 -0.968 -9.120 -1.711 1.00 0.34 C ATOM 49 O TRP A 4 -1.406 -8.402 -0.808 1.00 0.34 O ATOM 50 CB TRP A 4 -0.298 -7.967 -3.817 1.00 0.45 C ATOM 51 CG TRP A 4 -0.501 -7.791 -5.290 1.00 0.57 C ATOM 52 CD1 TRP A 4 -0.114 -8.651 -6.273 1.00 1.00 C ATOM 53 CD2 TRP A 4 -1.137 -6.688 -5.945 1.00 0.51 C ATOM 54 NE1 TRP A 4 -0.467 -8.151 -7.502 1.00 1.17 N ATOM 55 CE2 TRP A 4 -1.096 -6.947 -7.328 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.734 -5.508 -5.498 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -1.635 -6.071 -8.265 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -2.266 -4.638 -6.429 1.00 0.60 C ATOM 59 CH2 TRP A 4 -2.214 -4.920 -7.800 1.00 0.65 C ATOM 0 H TRP A 4 -2.772 -7.423 -2.644 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.386 -9.813 -3.689 1.00 0.38 H new ATOM 0 HB2 TRP A 4 -0.313 -6.988 -3.337 1.00 0.45 H new ATOM 0 HB3 TRP A 4 0.691 -8.392 -3.643 1.00 0.45 H new ATOM 0 HD1 TRP A 4 0.396 -9.589 -6.110 1.00 1.00 H new ATOM 0 HE1 TRP A 4 -0.290 -8.603 -8.399 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.779 -5.280 -4.443 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -1.598 -6.291 -9.322 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.731 -3.723 -6.094 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -2.638 -4.218 -8.503 1.00 0.65 H new ATOM 70 N THR A 5 -0.165 -10.146 -1.499 1.00 0.37 N ATOM 71 CA THR A 5 0.359 -10.439 -0.183 1.00 0.39 C ATOM 72 C THR A 5 1.748 -9.832 -0.062 1.00 0.35 C ATOM 73 O THR A 5 2.742 -10.401 -0.520 1.00 0.44 O ATOM 74 CB THR A 5 0.423 -11.958 0.077 1.00 0.55 C ATOM 75 OG1 THR A 5 -0.851 -12.550 -0.198 1.00 1.13 O ATOM 76 CG2 THR A 5 0.814 -12.246 1.523 1.00 1.11 C ATOM 0 H THR A 5 0.138 -10.792 -2.227 1.00 0.37 H new ATOM 0 HA THR A 5 -0.309 -10.007 0.563 1.00 0.39 H new ATOM 0 HB THR A 5 1.179 -12.386 -0.581 1.00 0.55 H new ATOM 0 HG1 THR A 5 -0.806 -13.515 -0.033 1.00 1.13 H new ATOM 0 HG21 THR A 5 0.852 -13.324 1.682 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.793 -11.814 1.728 1.00 1.11 H new ATOM 0 HG23 THR A 5 0.076 -11.807 2.194 1.00 1.11 H new ATOM 84 N LEU A 6 1.804 -8.665 0.546 1.00 0.30 N ATOM 85 CA LEU A 6 3.028 -7.889 0.602 1.00 0.34 C ATOM 86 C LEU A 6 3.744 -8.127 1.918 1.00 0.42 C ATOM 87 O LEU A 6 3.162 -7.929 2.976 1.00 0.75 O ATOM 88 CB LEU A 6 2.697 -6.401 0.458 1.00 0.42 C ATOM 89 CG LEU A 6 1.773 -6.048 -0.711 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.310 -4.603 -0.601 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.475 -6.280 -2.041 1.00 0.53 C ATOM 0 H LEU A 6 1.009 -8.229 1.013 1.00 0.30 H new ATOM 0 HA LEU A 6 3.681 -8.200 -0.214 1.00 0.34 H new ATOM 0 HB2 LEU A 6 2.234 -6.057 1.383 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.629 -5.847 0.343 1.00 0.42 H new ATOM 0 HG LEU A 6 0.900 -6.699 -0.667 1.00 0.47 H new ATOM 0 HD11 LEU A 6 0.654 -4.366 -1.439 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.768 -4.465 0.335 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.176 -3.941 -0.620 1.00 0.66 H new ATOM 0 HD21 LEU A 6 1.801 -6.023 -2.858 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.366 -5.655 -2.096 1.00 0.53 H new ATOM 0 HD23 LEU A 6 2.761 -7.328 -2.123 1.00 0.53 H new ATOM 103 N ASP A 7 4.985 -8.584 1.853 1.00 0.38 N ATOM 104 CA ASP A 7 5.813 -8.689 3.045 1.00 0.44 C ATOM 105 C ASP A 7 6.611 -7.411 3.214 1.00 0.39 C ATOM 106 O ASP A 7 7.605 -7.192 2.521 1.00 0.46 O ATOM 107 CB ASP A 7 6.755 -9.894 2.969 1.00 0.58 C ATOM 108 CG ASP A 7 6.025 -11.213 3.093 1.00 1.30 C ATOM 109 OD1 ASP A 7 5.815 -11.675 4.235 1.00 1.67 O ATOM 110 OD2 ASP A 7 5.664 -11.798 2.047 1.00 2.12 O ATOM 0 H ASP A 7 5.440 -8.887 0.992 1.00 0.38 H new ATOM 0 HA ASP A 7 5.162 -8.835 3.907 1.00 0.44 H new ATOM 0 HB2 ASP A 7 7.294 -9.869 2.022 1.00 0.58 H new ATOM 0 HB3 ASP A 7 7.499 -9.819 3.762 1.00 0.58 H new ATOM 115 N ILE A 8 6.158 -6.556 4.116 1.00 0.35 N ATOM 116 CA ILE A 8 6.764 -5.251 4.309 1.00 0.32 C ATOM 117 C ILE A 8 7.506 -5.182 5.641 1.00 0.30 C ATOM 118 O ILE A 8 6.942 -5.486 6.698 1.00 0.35 O ATOM 119 CB ILE A 8 5.688 -4.143 4.248 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.064 -4.093 2.848 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.275 -2.786 4.629 1.00 0.44 C ATOM 122 CD1 ILE A 8 6.055 -3.784 1.747 1.00 0.91 C ATOM 0 H ILE A 8 5.366 -6.746 4.730 1.00 0.35 H new ATOM 0 HA ILE A 8 7.484 -5.094 3.506 1.00 0.32 H new ATOM 0 HB ILE A 8 4.907 -4.380 4.971 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.589 -5.051 2.638 1.00 0.52 H new ATOM 0 HG13 ILE A 8 4.277 -3.339 2.838 1.00 0.52 H new ATOM 0 HG21 ILE A 8 5.496 -2.025 4.577 1.00 0.44 H new ATOM 0 HG22 ILE A 8 6.670 -2.833 5.644 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.078 -2.530 3.938 1.00 0.44 H new ATOM 0 HD11 ILE A 8 5.539 -3.766 0.787 1.00 0.91 H new ATOM 0 HD12 ILE A 8 6.512 -2.812 1.931 1.00 0.91 H new ATOM 0 HD13 ILE A 8 6.829 -4.551 1.728 1.00 0.91 H new ATOM 134 N PRO A 9 8.790 -4.806 5.587 1.00 0.26 N ATOM 135 CA PRO A 9 9.647 -4.651 6.772 1.00 0.26 C ATOM 136 C PRO A 9 9.232 -3.472 7.657 1.00 0.27 C ATOM 137 O PRO A 9 8.461 -2.608 7.238 1.00 0.32 O ATOM 138 CB PRO A 9 11.039 -4.395 6.179 1.00 0.29 C ATOM 139 CG PRO A 9 10.943 -4.792 4.749 1.00 0.35 C ATOM 140 CD PRO A 9 9.526 -4.522 4.351 1.00 0.29 C ATOM 0 HA PRO A 9 9.591 -5.526 7.419 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.320 -3.346 6.277 1.00 0.29 H new ATOM 0 HB3 PRO A 9 11.800 -4.979 6.698 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.638 -4.219 4.136 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.194 -5.845 4.617 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.386 -3.492 4.023 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.205 -5.164 3.531 1.00 0.29 H new ATOM 148 N ALA A 10 9.757 -3.444 8.879 1.00 0.30 N ATOM 149 CA ALA A 10 9.443 -2.381 9.834 1.00 0.33 C ATOM 150 C ALA A 10 10.690 -1.591 10.216 1.00 0.35 C ATOM 151 O ALA A 10 10.744 -0.959 11.273 1.00 0.43 O ATOM 152 CB ALA A 10 8.786 -2.969 11.072 1.00 0.41 C ATOM 0 H ALA A 10 10.405 -4.148 9.234 1.00 0.30 H new ATOM 0 HA ALA A 10 8.747 -1.691 9.356 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.556 -2.170 11.776 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.865 -3.478 10.788 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.465 -3.682 11.541 1.00 0.41 H new ATOM 158 N GLN A 11 11.692 -1.638 9.356 1.00 0.34 N ATOM 159 CA GLN A 11 12.913 -0.875 9.562 1.00 0.40 C ATOM 160 C GLN A 11 12.912 0.354 8.659 1.00 0.35 C ATOM 161 O GLN A 11 11.851 0.814 8.243 1.00 0.37 O ATOM 162 CB GLN A 11 14.158 -1.739 9.309 1.00 0.53 C ATOM 163 CG GLN A 11 14.115 -2.550 8.023 1.00 0.96 C ATOM 164 CD GLN A 11 13.600 -3.960 8.241 1.00 0.90 C ATOM 165 OE1 GLN A 11 12.809 -4.213 9.152 1.00 1.61 O ATOM 166 NE2 GLN A 11 14.037 -4.885 7.404 1.00 0.90 N ATOM 0 H GLN A 11 11.685 -2.199 8.504 1.00 0.34 H new ATOM 0 HA GLN A 11 12.947 -0.550 10.602 1.00 0.40 H new ATOM 0 HB2 GLN A 11 15.035 -1.092 9.286 1.00 0.53 H new ATOM 0 HB3 GLN A 11 14.288 -2.421 10.149 1.00 0.53 H new ATOM 0 HG2 GLN A 11 13.478 -2.042 7.298 1.00 0.96 H new ATOM 0 HG3 GLN A 11 15.115 -2.595 7.592 1.00 0.96 H new ATOM 0 HE21 GLN A 11 14.692 -4.634 6.663 1.00 0.90 H new ATOM 0 HE22 GLN A 11 13.720 -5.850 7.499 1.00 0.90 H new ATOM 175 N SER A 12 14.094 0.889 8.375 1.00 0.38 N ATOM 176 CA SER A 12 14.230 2.064 7.524 1.00 0.40 C ATOM 177 C SER A 12 13.499 1.874 6.193 1.00 0.36 C ATOM 178 O SER A 12 13.521 0.787 5.598 1.00 0.34 O ATOM 179 CB SER A 12 15.714 2.326 7.270 1.00 0.50 C ATOM 180 OG SER A 12 16.431 2.410 8.492 1.00 1.30 O ATOM 0 H SER A 12 14.979 0.523 8.726 1.00 0.38 H new ATOM 0 HA SER A 12 13.780 2.917 8.032 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.128 1.527 6.655 1.00 0.50 H new ATOM 0 HB3 SER A 12 15.833 3.253 6.710 1.00 0.50 H new ATOM 0 HG SER A 12 17.378 2.576 8.305 1.00 1.30 H new ATOM 186 N MET A 13 12.838 2.952 5.753 1.00 0.42 N ATOM 187 CA MET A 13 12.078 2.977 4.500 1.00 0.46 C ATOM 188 C MET A 13 12.855 2.378 3.345 1.00 0.42 C ATOM 189 O MET A 13 12.262 1.820 2.435 1.00 0.45 O ATOM 190 CB MET A 13 11.702 4.405 4.110 1.00 0.61 C ATOM 191 CG MET A 13 10.601 5.036 4.937 1.00 0.68 C ATOM 192 SD MET A 13 9.086 4.065 4.967 1.00 1.29 S ATOM 193 CE MET A 13 8.043 5.128 5.963 1.00 1.00 C ATOM 0 H MET A 13 12.816 3.836 6.261 1.00 0.42 H new ATOM 0 HA MET A 13 11.184 2.382 4.685 1.00 0.46 H new ATOM 0 HB2 MET A 13 12.592 5.030 4.184 1.00 0.61 H new ATOM 0 HB3 MET A 13 11.395 4.409 3.064 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.957 5.173 5.958 1.00 0.68 H new ATOM 0 HG3 MET A 13 10.381 6.027 4.540 1.00 0.68 H new ATOM 0 HE1 MET A 13 7.061 4.669 6.079 1.00 1.00 H new ATOM 0 HE2 MET A 13 8.497 5.267 6.944 1.00 1.00 H new ATOM 0 HE3 MET A 13 7.936 6.096 5.473 1.00 1.00 H new ATOM 203 N ASN A 14 14.175 2.521 3.377 1.00 0.41 N ATOM 204 CA ASN A 14 15.034 2.009 2.313 1.00 0.45 C ATOM 205 C ASN A 14 14.699 0.555 2.003 1.00 0.41 C ATOM 206 O ASN A 14 14.594 0.167 0.845 1.00 0.47 O ATOM 207 CB ASN A 14 16.512 2.104 2.702 1.00 0.52 C ATOM 208 CG ASN A 14 16.922 3.486 3.173 1.00 1.32 C ATOM 209 OD1 ASN A 14 16.342 4.495 2.781 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.946 3.534 4.012 1.00 1.85 N ATOM 0 H ASN A 14 14.677 2.989 4.132 1.00 0.41 H new ATOM 0 HA ASN A 14 14.856 2.623 1.430 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.719 1.382 3.492 1.00 0.52 H new ATOM 0 HB3 ASN A 14 17.125 1.823 1.845 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.281 4.434 4.357 1.00 1.85 H new ATOM 0 HD22 ASN A 14 18.400 2.671 4.313 1.00 1.85 H new ATOM 217 N SER A 15 14.494 -0.236 3.047 1.00 0.36 N ATOM 218 CA SER A 15 14.187 -1.646 2.884 1.00 0.36 C ATOM 219 C SER A 15 12.722 -1.828 2.496 1.00 0.32 C ATOM 220 O SER A 15 12.406 -2.546 1.549 1.00 0.32 O ATOM 221 CB SER A 15 14.478 -2.395 4.186 1.00 0.38 C ATOM 222 OG SER A 15 14.331 -3.795 4.020 1.00 1.20 O ATOM 0 H SER A 15 14.535 0.078 4.017 1.00 0.36 H new ATOM 0 HA SER A 15 14.813 -2.052 2.089 1.00 0.36 H new ATOM 0 HB2 SER A 15 15.492 -2.171 4.518 1.00 0.38 H new ATOM 0 HB3 SER A 15 13.802 -2.047 4.967 1.00 0.38 H new ATOM 0 HG SER A 15 14.939 -4.262 4.630 1.00 1.20 H new ATOM 228 N ALA A 16 11.835 -1.153 3.222 1.00 0.31 N ATOM 229 CA ALA A 16 10.397 -1.317 3.035 1.00 0.32 C ATOM 230 C ALA A 16 9.951 -0.859 1.654 1.00 0.30 C ATOM 231 O ALA A 16 9.159 -1.525 0.991 1.00 0.29 O ATOM 232 CB ALA A 16 9.638 -0.553 4.104 1.00 0.38 C ATOM 0 H ALA A 16 12.089 -0.484 3.949 1.00 0.31 H new ATOM 0 HA ALA A 16 10.174 -2.380 3.122 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.566 -0.684 3.953 1.00 0.38 H new ATOM 0 HB2 ALA A 16 9.915 -0.932 5.088 1.00 0.38 H new ATOM 0 HB3 ALA A 16 9.887 0.506 4.040 1.00 0.38 H new ATOM 238 N LEU A 17 10.471 0.279 1.222 1.00 0.31 N ATOM 239 CA LEU A 17 10.088 0.852 -0.054 1.00 0.33 C ATOM 240 C LEU A 17 10.568 -0.030 -1.204 1.00 0.32 C ATOM 241 O LEU A 17 9.790 -0.373 -2.092 1.00 0.35 O ATOM 242 CB LEU A 17 10.627 2.284 -0.175 1.00 0.38 C ATOM 243 CG LEU A 17 10.076 3.273 0.856 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.652 4.659 0.625 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.554 3.308 0.805 1.00 0.73 C ATOM 0 H LEU A 17 11.161 0.824 1.739 1.00 0.31 H new ATOM 0 HA LEU A 17 9.000 0.899 -0.110 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.713 2.256 -0.085 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.399 2.659 -1.173 1.00 0.38 H new ATOM 0 HG LEU A 17 10.377 2.938 1.849 1.00 0.46 H new ATOM 0 HD11 LEU A 17 10.249 5.349 1.367 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.738 4.622 0.716 1.00 0.92 H new ATOM 0 HD13 LEU A 17 10.383 5.003 -0.374 1.00 0.92 H new ATOM 0 HD21 LEU A 17 8.181 4.016 1.545 1.00 0.73 H new ATOM 0 HD22 LEU A 17 8.230 3.617 -0.189 1.00 0.73 H new ATOM 0 HD23 LEU A 17 8.160 2.315 1.022 1.00 0.73 H new ATOM 257 N GLN A 18 11.836 -0.429 -1.171 1.00 0.34 N ATOM 258 CA GLN A 18 12.369 -1.326 -2.198 1.00 0.39 C ATOM 259 C GLN A 18 11.636 -2.666 -2.182 1.00 0.33 C ATOM 260 O GLN A 18 11.448 -3.298 -3.226 1.00 0.34 O ATOM 261 CB GLN A 18 13.868 -1.547 -2.001 1.00 0.49 C ATOM 262 CG GLN A 18 14.701 -0.290 -2.179 1.00 1.07 C ATOM 263 CD GLN A 18 16.186 -0.544 -2.001 1.00 1.51 C ATOM 264 OE1 GLN A 18 16.591 -1.441 -1.260 1.00 2.06 O ATOM 265 NE2 GLN A 18 17.011 0.244 -2.673 1.00 2.19 N ATOM 0 H GLN A 18 12.508 -0.151 -0.456 1.00 0.34 H new ATOM 0 HA GLN A 18 12.211 -0.854 -3.168 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.039 -1.946 -1.001 1.00 0.49 H new ATOM 0 HB3 GLN A 18 14.211 -2.302 -2.709 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.523 0.122 -3.173 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.376 0.462 -1.460 1.00 1.07 H new ATOM 0 HE21 GLN A 18 16.638 0.976 -3.277 1.00 2.19 H new ATOM 0 HE22 GLN A 18 18.020 0.119 -2.587 1.00 2.19 H new ATOM 274 N ALA A 19 11.210 -3.088 -0.997 1.00 0.29 N ATOM 275 CA ALA A 19 10.443 -4.316 -0.856 1.00 0.28 C ATOM 276 C ALA A 19 9.078 -4.179 -1.514 1.00 0.26 C ATOM 277 O ALA A 19 8.634 -5.074 -2.230 1.00 0.28 O ATOM 278 CB ALA A 19 10.284 -4.685 0.610 1.00 0.31 C ATOM 0 H ALA A 19 11.384 -2.596 -0.121 1.00 0.29 H new ATOM 0 HA ALA A 19 10.990 -5.114 -1.358 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.707 -5.606 0.693 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.267 -4.831 1.057 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.763 -3.883 1.133 1.00 0.31 H new ATOM 284 N LEU A 20 8.426 -3.040 -1.291 1.00 0.27 N ATOM 285 CA LEU A 20 7.100 -2.793 -1.838 1.00 0.32 C ATOM 286 C LEU A 20 7.171 -2.656 -3.353 1.00 0.33 C ATOM 287 O LEU A 20 6.282 -3.113 -4.074 1.00 0.36 O ATOM 288 CB LEU A 20 6.501 -1.523 -1.222 1.00 0.38 C ATOM 289 CG LEU A 20 5.094 -1.160 -1.706 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.101 -2.255 -1.350 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.658 0.172 -1.115 1.00 0.95 C ATOM 0 H LEU A 20 8.799 -2.272 -0.732 1.00 0.27 H new ATOM 0 HA LEU A 20 6.459 -3.639 -1.592 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.475 -1.642 -0.139 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.167 -0.687 -1.435 1.00 0.38 H new ATOM 0 HG LEU A 20 5.118 -1.066 -2.792 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.109 -1.975 -1.704 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.405 -3.189 -1.823 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.077 -2.387 -0.268 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.656 0.416 -1.468 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.652 0.103 -0.027 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.353 0.953 -1.425 1.00 0.95 H new ATOM 303 N ALA A 21 8.246 -2.026 -3.816 1.00 0.33 N ATOM 304 CA ALA A 21 8.449 -1.774 -5.233 1.00 0.39 C ATOM 305 C ALA A 21 8.474 -3.082 -6.014 1.00 0.38 C ATOM 306 O ALA A 21 7.613 -3.330 -6.849 1.00 0.44 O ATOM 307 CB ALA A 21 9.733 -0.991 -5.459 1.00 0.44 C ATOM 0 H ALA A 21 8.997 -1.678 -3.220 1.00 0.33 H new ATOM 0 HA ALA A 21 7.614 -1.175 -5.596 1.00 0.39 H new ATOM 0 HB1 ALA A 21 9.867 -0.812 -6.526 1.00 0.44 H new ATOM 0 HB2 ALA A 21 9.674 -0.037 -4.936 1.00 0.44 H new ATOM 0 HB3 ALA A 21 10.579 -1.562 -5.077 1.00 0.44 H new ATOM 313 N LYS A 22 9.455 -3.924 -5.719 1.00 0.36 N ATOM 314 CA LYS A 22 9.602 -5.200 -6.410 1.00 0.42 C ATOM 315 C LYS A 22 8.427 -6.139 -6.137 1.00 0.37 C ATOM 316 O LYS A 22 8.169 -7.064 -6.910 1.00 0.47 O ATOM 317 CB LYS A 22 10.923 -5.870 -6.033 1.00 0.53 C ATOM 318 CG LYS A 22 12.143 -5.146 -6.585 1.00 1.22 C ATOM 319 CD LYS A 22 12.030 -4.942 -8.090 1.00 1.84 C ATOM 320 CE LYS A 22 13.267 -4.275 -8.659 1.00 2.65 C ATOM 321 NZ LYS A 22 13.108 -3.941 -10.099 1.00 3.41 N ATOM 0 H LYS A 22 10.162 -3.747 -5.005 1.00 0.36 H new ATOM 0 HA LYS A 22 9.608 -4.989 -7.479 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.000 -5.921 -4.947 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.920 -6.896 -6.401 1.00 0.53 H new ATOM 0 HG2 LYS A 22 12.250 -4.180 -6.092 1.00 1.22 H new ATOM 0 HG3 LYS A 22 13.042 -5.720 -6.360 1.00 1.22 H new ATOM 0 HD2 LYS A 22 11.879 -5.905 -8.578 1.00 1.84 H new ATOM 0 HD3 LYS A 22 11.154 -4.332 -8.310 1.00 1.84 H new ATOM 0 HE2 LYS A 22 13.479 -3.365 -8.097 1.00 2.65 H new ATOM 0 HE3 LYS A 22 14.125 -4.935 -8.533 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 13.976 -3.487 -10.448 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 12.931 -4.812 -10.640 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 12.305 -3.291 -10.218 1.00 3.41 H new ATOM 335 N GLN A 23 7.712 -5.900 -5.046 1.00 0.33 N ATOM 336 CA GLN A 23 6.545 -6.700 -4.713 1.00 0.39 C ATOM 337 C GLN A 23 5.442 -6.497 -5.746 1.00 0.40 C ATOM 338 O GLN A 23 4.671 -7.409 -6.033 1.00 0.49 O ATOM 339 CB GLN A 23 6.032 -6.330 -3.323 1.00 0.52 C ATOM 340 CG GLN A 23 5.813 -7.533 -2.432 1.00 0.76 C ATOM 341 CD GLN A 23 7.109 -8.220 -2.053 1.00 0.78 C ATOM 342 OE1 GLN A 23 7.589 -9.105 -2.763 1.00 1.52 O ATOM 343 NE2 GLN A 23 7.683 -7.822 -0.930 1.00 1.29 N ATOM 0 H GLN A 23 7.921 -5.158 -4.378 1.00 0.33 H new ATOM 0 HA GLN A 23 6.836 -7.750 -4.717 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.745 -5.657 -2.846 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.094 -5.783 -3.422 1.00 0.52 H new ATOM 0 HG2 GLN A 23 5.293 -7.220 -1.526 1.00 0.76 H new ATOM 0 HG3 GLN A 23 5.164 -8.245 -2.942 1.00 0.76 H new ATOM 0 HE21 GLN A 23 7.253 -7.086 -0.371 1.00 1.29 H new ATOM 0 HE22 GLN A 23 8.556 -8.251 -0.623 1.00 1.29 H new ATOM 352 N THR A 24 5.382 -5.298 -6.309 1.00 0.38 N ATOM 353 CA THR A 24 4.381 -4.976 -7.313 1.00 0.47 C ATOM 354 C THR A 24 5.038 -4.620 -8.646 1.00 0.48 C ATOM 355 O THR A 24 4.377 -4.147 -9.573 1.00 0.76 O ATOM 356 CB THR A 24 3.496 -3.804 -6.847 1.00 0.54 C ATOM 357 OG1 THR A 24 4.318 -2.741 -6.339 1.00 0.62 O ATOM 358 CG2 THR A 24 2.517 -4.254 -5.770 1.00 0.62 C ATOM 0 H THR A 24 6.017 -4.532 -6.086 1.00 0.38 H new ATOM 0 HA THR A 24 3.758 -5.860 -7.451 1.00 0.47 H new ATOM 0 HB THR A 24 2.926 -3.446 -7.705 1.00 0.54 H new ATOM 0 HG1 THR A 24 4.769 -3.038 -5.521 1.00 0.62 H new ATOM 0 HG21 THR A 24 1.904 -3.408 -5.459 1.00 0.62 H new ATOM 0 HG22 THR A 24 1.875 -5.040 -6.167 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.070 -4.636 -4.912 1.00 0.62 H new ATOM 366 N ASP A 25 6.348 -4.871 -8.720 1.00 0.41 N ATOM 367 CA ASP A 25 7.166 -4.542 -9.892 1.00 0.49 C ATOM 368 C ASP A 25 6.997 -3.069 -10.276 1.00 0.49 C ATOM 369 O ASP A 25 6.882 -2.716 -11.448 1.00 0.72 O ATOM 370 CB ASP A 25 6.817 -5.467 -11.066 1.00 0.68 C ATOM 371 CG ASP A 25 7.799 -5.352 -12.217 1.00 1.29 C ATOM 372 OD1 ASP A 25 8.989 -5.669 -12.021 1.00 1.57 O ATOM 373 OD2 ASP A 25 7.375 -4.973 -13.331 1.00 2.11 O ATOM 0 H ASP A 25 6.874 -5.310 -7.965 1.00 0.41 H new ATOM 0 HA ASP A 25 8.214 -4.700 -9.639 1.00 0.49 H new ATOM 0 HB2 ASP A 25 6.794 -6.499 -10.715 1.00 0.68 H new ATOM 0 HB3 ASP A 25 5.815 -5.230 -11.424 1.00 0.68 H new ATOM 378 N THR A 26 6.975 -2.212 -9.271 1.00 0.34 N ATOM 379 CA THR A 26 6.789 -0.789 -9.487 1.00 0.40 C ATOM 380 C THR A 26 8.100 -0.028 -9.313 1.00 0.38 C ATOM 381 O THR A 26 9.157 -0.621 -9.074 1.00 0.40 O ATOM 382 CB THR A 26 5.727 -0.228 -8.524 1.00 0.46 C ATOM 383 OG1 THR A 26 5.977 -0.695 -7.193 1.00 0.76 O ATOM 384 CG2 THR A 26 4.326 -0.628 -8.959 1.00 0.72 C ATOM 0 H THR A 26 7.084 -2.479 -8.293 1.00 0.34 H new ATOM 0 HA THR A 26 6.446 -0.654 -10.513 1.00 0.40 H new ATOM 0 HB THR A 26 5.792 0.860 -8.544 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.347 -1.413 -6.975 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.597 -0.218 -8.260 1.00 0.72 H new ATOM 0 HG22 THR A 26 4.130 -0.239 -9.958 1.00 0.72 H new ATOM 0 HG23 THR A 26 4.245 -1.715 -8.971 1.00 0.72 H new ATOM 392 N GLN A 27 8.026 1.290 -9.444 1.00 0.41 N ATOM 393 CA GLN A 27 9.196 2.140 -9.313 1.00 0.44 C ATOM 394 C GLN A 27 8.941 3.205 -8.259 1.00 0.46 C ATOM 395 O GLN A 27 7.921 3.890 -8.303 1.00 0.47 O ATOM 396 CB GLN A 27 9.517 2.809 -10.649 1.00 0.50 C ATOM 397 CG GLN A 27 10.920 3.392 -10.707 1.00 1.05 C ATOM 398 CD GLN A 27 11.992 2.323 -10.642 1.00 1.67 C ATOM 399 OE1 GLN A 27 13.057 2.530 -10.067 1.00 2.39 O ATOM 400 NE2 GLN A 27 11.728 1.175 -11.252 1.00 2.31 N ATOM 0 H GLN A 27 7.161 1.793 -9.642 1.00 0.41 H new ATOM 0 HA GLN A 27 10.044 1.525 -9.012 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.401 2.079 -11.450 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.793 3.603 -10.833 1.00 0.50 H new ATOM 0 HG2 GLN A 27 11.036 3.963 -11.628 1.00 1.05 H new ATOM 0 HG3 GLN A 27 11.055 4.089 -9.880 1.00 1.05 H new ATOM 0 HE21 GLN A 27 10.831 1.040 -11.719 1.00 2.31 H new ATOM 0 HE22 GLN A 27 12.422 0.427 -11.254 1.00 2.31 H new ATOM 409 N LEU A 28 9.864 3.355 -7.324 1.00 0.51 N ATOM 410 CA LEU A 28 9.702 4.333 -6.263 1.00 0.55 C ATOM 411 C LEU A 28 10.805 5.377 -6.339 1.00 0.58 C ATOM 412 O LEU A 28 11.987 5.043 -6.397 1.00 0.71 O ATOM 413 CB LEU A 28 9.703 3.661 -4.884 1.00 0.69 C ATOM 414 CG LEU A 28 8.618 2.602 -4.665 1.00 0.78 C ATOM 415 CD1 LEU A 28 8.594 2.167 -3.212 1.00 1.51 C ATOM 416 CD2 LEU A 28 7.252 3.124 -5.078 1.00 1.30 C ATOM 0 H LEU A 28 10.728 2.815 -7.278 1.00 0.51 H new ATOM 0 HA LEU A 28 8.738 4.822 -6.399 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.676 3.197 -4.726 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.591 4.433 -4.123 1.00 0.69 H new ATOM 0 HG LEU A 28 8.856 1.741 -5.290 1.00 0.78 H new ATOM 0 HD11 LEU A 28 7.818 1.414 -3.070 1.00 1.51 H new ATOM 0 HD12 LEU A 28 9.562 1.746 -2.942 1.00 1.51 H new ATOM 0 HD13 LEU A 28 8.384 3.028 -2.578 1.00 1.51 H new ATOM 0 HD21 LEU A 28 6.502 2.351 -4.912 1.00 1.30 H new ATOM 0 HD22 LEU A 28 7.004 4.004 -4.485 1.00 1.30 H new ATOM 0 HD23 LEU A 28 7.269 3.392 -6.134 1.00 1.30 H new ATOM 428 N LEU A 29 10.407 6.637 -6.349 1.00 0.53 N ATOM 429 CA LEU A 29 11.350 7.741 -6.402 1.00 0.60 C ATOM 430 C LEU A 29 11.349 8.451 -5.057 1.00 0.63 C ATOM 431 O LEU A 29 10.350 9.066 -4.669 1.00 0.66 O ATOM 432 CB LEU A 29 10.967 8.707 -7.535 1.00 0.65 C ATOM 433 CG LEU A 29 12.111 9.558 -8.113 1.00 1.17 C ATOM 434 CD1 LEU A 29 12.638 10.557 -7.093 1.00 1.90 C ATOM 435 CD2 LEU A 29 13.234 8.662 -8.615 1.00 2.03 C ATOM 0 H LEU A 29 9.428 6.923 -6.321 1.00 0.53 H new ATOM 0 HA LEU A 29 12.353 7.367 -6.607 1.00 0.60 H new ATOM 0 HB2 LEU A 29 10.527 8.127 -8.346 1.00 0.65 H new ATOM 0 HB3 LEU A 29 10.192 9.379 -7.166 1.00 0.65 H new ATOM 0 HG LEU A 29 11.712 10.127 -8.952 1.00 1.17 H new ATOM 0 HD11 LEU A 29 13.445 11.140 -7.538 1.00 1.90 H new ATOM 0 HD12 LEU A 29 11.833 11.226 -6.789 1.00 1.90 H new ATOM 0 HD13 LEU A 29 13.015 10.022 -6.221 1.00 1.90 H new ATOM 0 HD21 LEU A 29 14.037 9.278 -9.021 1.00 2.03 H new ATOM 0 HD22 LEU A 29 13.618 8.063 -7.789 1.00 2.03 H new ATOM 0 HD23 LEU A 29 12.852 8.003 -9.395 1.00 2.03 H new ATOM 447 N TYR A 30 12.459 8.357 -4.346 1.00 0.65 N ATOM 448 CA TYR A 30 12.563 8.925 -3.014 1.00 0.72 C ATOM 449 C TYR A 30 14.011 9.273 -2.702 1.00 0.77 C ATOM 450 O TYR A 30 14.936 8.661 -3.241 1.00 0.82 O ATOM 451 CB TYR A 30 12.011 7.946 -1.964 1.00 0.72 C ATOM 452 CG TYR A 30 12.738 6.616 -1.909 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.397 5.577 -2.767 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.763 6.399 -0.995 1.00 0.80 C ATOM 455 CE1 TYR A 30 13.057 4.365 -2.719 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.428 5.188 -0.941 1.00 0.88 C ATOM 457 CZ TYR A 30 14.072 4.175 -1.806 1.00 0.83 C ATOM 458 OH TYR A 30 14.734 2.971 -1.759 1.00 0.96 O ATOM 0 H TYR A 30 13.305 7.890 -4.672 1.00 0.65 H new ATOM 0 HA TYR A 30 11.968 9.838 -2.980 1.00 0.72 H new ATOM 0 HB2 TYR A 30 12.064 8.417 -0.982 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.957 7.763 -2.174 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.602 5.720 -3.484 1.00 0.65 H new ATOM 0 HD2 TYR A 30 14.045 7.190 -0.316 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.779 3.569 -3.394 1.00 0.71 H new ATOM 0 HE2 TYR A 30 15.222 5.036 -0.225 1.00 0.88 H new ATOM 0 HH TYR A 30 15.421 3.003 -1.061 1.00 0.96 H new ATOM 468 N SER A 31 14.199 10.262 -1.846 1.00 0.85 N ATOM 469 CA SER A 31 15.528 10.662 -1.422 1.00 0.97 C ATOM 470 C SER A 31 15.772 10.189 0.008 1.00 0.88 C ATOM 471 O SER A 31 15.117 10.651 0.943 1.00 0.85 O ATOM 472 CB SER A 31 15.669 12.183 -1.520 1.00 1.20 C ATOM 473 OG SER A 31 15.372 12.637 -2.834 1.00 1.78 O ATOM 0 H SER A 31 13.443 10.805 -1.429 1.00 0.85 H new ATOM 0 HA SER A 31 16.272 10.204 -2.074 1.00 0.97 H new ATOM 0 HB2 SER A 31 14.999 12.661 -0.806 1.00 1.20 H new ATOM 0 HB3 SER A 31 16.684 12.476 -1.250 1.00 1.20 H new ATOM 0 HG SER A 31 15.467 13.612 -2.873 1.00 1.78 H new ATOM 479 N PRO A 32 16.714 9.245 0.187 1.00 0.96 N ATOM 480 CA PRO A 32 17.011 8.631 1.493 1.00 0.99 C ATOM 481 C PRO A 32 17.322 9.653 2.589 1.00 1.01 C ATOM 482 O PRO A 32 16.994 9.440 3.760 1.00 1.05 O ATOM 483 CB PRO A 32 18.243 7.769 1.209 1.00 1.23 C ATOM 484 CG PRO A 32 18.164 7.466 -0.243 1.00 1.37 C ATOM 485 CD PRO A 32 17.568 8.687 -0.882 1.00 1.12 C ATOM 0 HA PRO A 32 16.152 8.076 1.872 1.00 0.99 H new ATOM 0 HB2 PRO A 32 19.163 8.300 1.453 1.00 1.23 H new ATOM 0 HB3 PRO A 32 18.234 6.856 1.805 1.00 1.23 H new ATOM 0 HG2 PRO A 32 19.151 7.252 -0.652 1.00 1.37 H new ATOM 0 HG3 PRO A 32 17.546 6.587 -0.426 1.00 1.37 H new ATOM 0 HD2 PRO A 32 18.337 9.394 -1.194 1.00 1.12 H new ATOM 0 HD3 PRO A 32 16.988 8.435 -1.770 1.00 1.12 H new ATOM 493 N GLU A 33 17.960 10.756 2.212 1.00 1.09 N ATOM 494 CA GLU A 33 18.289 11.811 3.164 1.00 1.26 C ATOM 495 C GLU A 33 17.052 12.632 3.525 1.00 1.23 C ATOM 496 O GLU A 33 16.962 13.200 4.614 1.00 1.39 O ATOM 497 CB GLU A 33 19.368 12.730 2.593 1.00 1.48 C ATOM 498 CG GLU A 33 18.912 13.508 1.370 1.00 1.99 C ATOM 499 CD GLU A 33 20.014 14.346 0.770 1.00 2.43 C ATOM 500 OE1 GLU A 33 20.162 15.514 1.168 1.00 2.96 O ATOM 501 OE2 GLU A 33 20.731 13.834 -0.113 1.00 2.83 O ATOM 0 H GLU A 33 18.259 10.943 1.255 1.00 1.09 H new ATOM 0 HA GLU A 33 18.666 11.335 4.069 1.00 1.26 H new ATOM 0 HB2 GLU A 33 19.682 13.432 3.365 1.00 1.48 H new ATOM 0 HB3 GLU A 33 20.241 12.133 2.330 1.00 1.48 H new ATOM 0 HG2 GLU A 33 18.541 12.811 0.619 1.00 1.99 H new ATOM 0 HG3 GLU A 33 18.078 14.154 1.645 1.00 1.99 H new ATOM 508 N ASP A 34 16.088 12.670 2.609 1.00 1.12 N ATOM 509 CA ASP A 34 14.925 13.541 2.747 1.00 1.23 C ATOM 510 C ASP A 34 13.774 12.806 3.425 1.00 1.17 C ATOM 511 O ASP A 34 12.809 13.419 3.875 1.00 1.38 O ATOM 512 CB ASP A 34 14.490 14.076 1.379 1.00 1.33 C ATOM 513 CG ASP A 34 13.460 15.187 1.476 1.00 1.71 C ATOM 514 OD1 ASP A 34 13.781 16.259 2.024 1.00 2.14 O ATOM 515 OD2 ASP A 34 12.306 14.974 1.032 1.00 2.22 O ATOM 0 H ASP A 34 16.090 12.105 1.760 1.00 1.12 H new ATOM 0 HA ASP A 34 15.205 14.386 3.376 1.00 1.23 H new ATOM 0 HB2 ASP A 34 15.365 14.445 0.845 1.00 1.33 H new ATOM 0 HB3 ASP A 34 14.078 13.257 0.789 1.00 1.33 H new ATOM 520 N ILE A 35 13.905 11.490 3.534 1.00 0.97 N ATOM 521 CA ILE A 35 12.905 10.676 4.216 1.00 0.97 C ATOM 522 C ILE A 35 13.329 10.445 5.660 1.00 1.02 C ATOM 523 O ILE A 35 12.710 9.669 6.382 1.00 1.09 O ATOM 524 CB ILE A 35 12.709 9.305 3.524 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.024 8.521 3.497 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.165 9.487 2.115 1.00 0.95 C ATOM 527 CD1 ILE A 35 13.935 7.199 2.762 1.00 0.82 C ATOM 0 H ILE A 35 14.694 10.963 3.159 1.00 0.97 H new ATOM 0 HA ILE A 35 11.960 11.217 4.178 1.00 0.97 H new ATOM 0 HB ILE A 35 11.981 8.733 4.100 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.792 9.135 3.028 1.00 0.78 H new ATOM 0 HG13 ILE A 35 14.346 8.335 4.522 1.00 0.78 H new ATOM 0 HG21 ILE A 35 12.035 8.512 1.646 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.204 10.000 2.159 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.866 10.081 1.528 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.905 6.703 2.786 1.00 0.82 H new ATOM 0 HD12 ILE A 35 13.191 6.564 3.243 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.644 7.377 1.727 1.00 0.82 H new ATOM 539 N GLY A 36 14.420 11.107 6.047 1.00 1.08 N ATOM 540 CA GLY A 36 14.883 11.102 7.427 1.00 1.25 C ATOM 541 C GLY A 36 15.228 9.723 7.960 1.00 1.17 C ATOM 542 O GLY A 36 15.348 9.544 9.172 1.00 1.40 O ATOM 0 H GLY A 36 15.001 11.657 5.414 1.00 1.08 H new ATOM 0 HA2 GLY A 36 15.763 11.741 7.506 1.00 1.25 H new ATOM 0 HA3 GLY A 36 14.112 11.542 8.059 1.00 1.25 H new ATOM 546 N GLY A 37 15.401 8.756 7.063 1.00 0.97 N ATOM 547 CA GLY A 37 15.679 7.392 7.480 1.00 0.96 C ATOM 548 C GLY A 37 14.631 6.868 8.445 1.00 0.88 C ATOM 549 O GLY A 37 14.957 6.217 9.435 1.00 1.05 O ATOM 0 H GLY A 37 15.354 8.893 6.053 1.00 0.97 H new ATOM 0 HA2 GLY A 37 15.720 6.746 6.603 1.00 0.96 H new ATOM 0 HA3 GLY A 37 16.660 7.350 7.953 1.00 0.96 H new ATOM 553 N LEU A 38 13.371 7.152 8.146 1.00 0.77 N ATOM 554 CA LEU A 38 12.270 6.777 9.023 1.00 0.83 C ATOM 555 C LEU A 38 11.964 5.294 8.886 1.00 0.66 C ATOM 556 O LEU A 38 12.172 4.709 7.821 1.00 0.67 O ATOM 557 CB LEU A 38 11.021 7.596 8.683 1.00 1.06 C ATOM 558 CG LEU A 38 11.165 9.110 8.855 1.00 1.05 C ATOM 559 CD1 LEU A 38 9.910 9.823 8.372 1.00 1.72 C ATOM 560 CD2 LEU A 38 11.458 9.458 10.305 1.00 1.20 C ATOM 0 H LEU A 38 13.085 7.643 7.299 1.00 0.77 H new ATOM 0 HA LEU A 38 12.564 6.983 10.052 1.00 0.83 H new ATOM 0 HB2 LEU A 38 10.741 7.389 7.650 1.00 1.06 H new ATOM 0 HB3 LEU A 38 10.199 7.252 9.311 1.00 1.06 H new ATOM 0 HG LEU A 38 12.005 9.448 8.248 1.00 1.05 H new ATOM 0 HD11 LEU A 38 10.030 10.899 8.502 1.00 1.72 H new ATOM 0 HD12 LEU A 38 9.748 9.600 7.317 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.052 9.481 8.951 1.00 1.72 H new ATOM 0 HD21 LEU A 38 11.557 10.539 10.407 1.00 1.20 H new ATOM 0 HD22 LEU A 38 10.641 9.107 10.936 1.00 1.20 H new ATOM 0 HD23 LEU A 38 12.387 8.978 10.614 1.00 1.20 H new ATOM 572 N ARG A 39 11.491 4.690 9.967 1.00 0.68 N ATOM 573 CA ARG A 39 11.079 3.296 9.928 1.00 0.59 C ATOM 574 C ARG A 39 9.652 3.194 9.429 1.00 0.52 C ATOM 575 O ARG A 39 8.819 4.059 9.707 1.00 0.62 O ATOM 576 CB ARG A 39 11.196 2.606 11.301 1.00 0.66 C ATOM 577 CG ARG A 39 10.215 3.102 12.363 1.00 0.76 C ATOM 578 CD ARG A 39 10.582 4.480 12.887 1.00 1.12 C ATOM 579 NE ARG A 39 11.912 4.500 13.491 1.00 2.00 N ATOM 580 CZ ARG A 39 12.624 5.606 13.691 1.00 2.70 C ATOM 581 NH1 ARG A 39 12.126 6.788 13.356 1.00 2.71 N ATOM 582 NH2 ARG A 39 13.835 5.533 14.225 1.00 3.77 N ATOM 0 H ARG A 39 11.384 5.141 10.876 1.00 0.68 H new ATOM 0 HA ARG A 39 11.755 2.781 9.245 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.049 1.535 11.165 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.211 2.744 11.674 1.00 0.66 H new ATOM 0 HG2 ARG A 39 9.210 3.132 11.941 1.00 0.76 H new ATOM 0 HG3 ARG A 39 10.192 2.395 13.192 1.00 0.76 H new ATOM 0 HD2 ARG A 39 10.544 5.200 12.070 1.00 1.12 H new ATOM 0 HD3 ARG A 39 9.844 4.796 13.625 1.00 1.12 H new ATOM 0 HE ARG A 39 12.320 3.610 13.777 1.00 2.00 H new ATOM 0 HH11 ARG A 39 11.195 6.851 12.944 1.00 2.71 H new ATOM 0 HH12 ARG A 39 12.674 7.634 13.510 1.00 2.71 H new ATOM 0 HH21 ARG A 39 14.224 4.627 14.484 1.00 3.77 H new ATOM 0 HH22 ARG A 39 14.378 6.383 14.377 1.00 3.77 H new ATOM 596 N SER A 40 9.384 2.148 8.683 1.00 0.45 N ATOM 597 CA SER A 40 8.059 1.904 8.169 1.00 0.50 C ATOM 598 C SER A 40 7.216 1.162 9.194 1.00 0.49 C ATOM 599 O SER A 40 7.740 0.486 10.084 1.00 0.48 O ATOM 600 CB SER A 40 8.162 1.091 6.884 1.00 0.56 C ATOM 601 OG SER A 40 9.077 0.018 7.047 1.00 0.50 O ATOM 0 H SER A 40 10.075 1.446 8.417 1.00 0.45 H new ATOM 0 HA SER A 40 7.575 2.858 7.959 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.181 0.702 6.613 1.00 0.56 H new ATOM 0 HB3 SER A 40 8.487 1.733 6.065 1.00 0.56 H new ATOM 0 HG SER A 40 8.586 -0.830 7.073 1.00 0.50 H new ATOM 607 N SER A 41 5.912 1.306 9.073 1.00 0.59 N ATOM 608 CA SER A 41 4.995 0.564 9.905 1.00 0.68 C ATOM 609 C SER A 41 4.732 -0.775 9.244 1.00 0.65 C ATOM 610 O SER A 41 4.381 -0.826 8.065 1.00 0.66 O ATOM 611 CB SER A 41 3.689 1.342 10.093 1.00 0.85 C ATOM 612 OG SER A 41 2.791 0.653 10.952 1.00 1.54 O ATOM 0 H SER A 41 5.465 1.933 8.404 1.00 0.59 H new ATOM 0 HA SER A 41 5.429 0.410 10.893 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.907 2.326 10.507 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.217 1.502 9.124 1.00 0.85 H new ATOM 0 HG SER A 41 1.968 1.176 11.053 1.00 1.54 H new ATOM 618 N ALA A 42 4.950 -1.848 9.995 1.00 0.69 N ATOM 619 CA ALA A 42 4.812 -3.199 9.473 1.00 0.72 C ATOM 620 C ALA A 42 3.419 -3.431 8.903 1.00 0.63 C ATOM 621 O ALA A 42 2.475 -3.731 9.638 1.00 0.66 O ATOM 622 CB ALA A 42 5.118 -4.213 10.565 1.00 0.84 C ATOM 0 H ALA A 42 5.225 -1.805 10.976 1.00 0.69 H new ATOM 0 HA ALA A 42 5.528 -3.326 8.661 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.012 -5.221 10.165 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.138 -4.069 10.920 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.423 -4.076 11.393 1.00 0.84 H new ATOM 628 N LEU A 43 3.286 -3.272 7.601 1.00 0.59 N ATOM 629 CA LEU A 43 2.026 -3.516 6.938 1.00 0.54 C ATOM 630 C LEU A 43 2.204 -4.646 5.952 1.00 0.45 C ATOM 631 O LEU A 43 2.394 -4.422 4.758 1.00 0.51 O ATOM 632 CB LEU A 43 1.541 -2.263 6.203 1.00 0.65 C ATOM 633 CG LEU A 43 0.131 -2.357 5.617 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.904 -2.455 6.725 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.154 -1.164 4.720 1.00 1.42 C ATOM 0 H LEU A 43 4.040 -2.974 6.982 1.00 0.59 H new ATOM 0 HA LEU A 43 1.279 -3.781 7.686 1.00 0.54 H new ATOM 0 HB2 LEU A 43 1.575 -1.420 6.893 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.239 -2.042 5.395 1.00 0.65 H new ATOM 0 HG LEU A 43 0.070 -3.262 5.013 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.900 -2.521 6.288 1.00 1.42 H new ATOM 0 HD12 LEU A 43 -0.712 -3.344 7.325 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.844 -1.570 7.358 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.161 -1.248 4.312 1.00 1.42 H new ATOM 0 HD22 LEU A 43 -0.073 -0.245 5.300 1.00 1.42 H new ATOM 0 HD23 LEU A 43 0.568 -1.142 3.903 1.00 1.42 H new ATOM 647 N LYS A 44 2.146 -5.861 6.449 1.00 0.43 N ATOM 648 CA LYS A 44 2.302 -7.011 5.598 1.00 0.43 C ATOM 649 C LYS A 44 1.046 -7.869 5.654 1.00 0.41 C ATOM 650 O LYS A 44 0.627 -8.327 6.720 1.00 0.50 O ATOM 651 CB LYS A 44 3.566 -7.808 5.954 1.00 0.61 C ATOM 652 CG LYS A 44 3.570 -8.436 7.334 1.00 0.88 C ATOM 653 CD LYS A 44 4.795 -9.318 7.518 1.00 1.15 C ATOM 654 CE LYS A 44 4.850 -9.940 8.903 1.00 1.77 C ATOM 655 NZ LYS A 44 5.022 -8.917 9.971 1.00 2.43 N ATOM 0 H LYS A 44 1.992 -6.074 7.435 1.00 0.43 H new ATOM 0 HA LYS A 44 2.434 -6.672 4.570 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.698 -8.597 5.214 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.428 -7.146 5.872 1.00 0.61 H new ATOM 0 HG2 LYS A 44 3.560 -7.655 8.095 1.00 0.88 H new ATOM 0 HG3 LYS A 44 2.665 -9.028 7.473 1.00 0.88 H new ATOM 0 HD2 LYS A 44 4.788 -10.108 6.767 1.00 1.15 H new ATOM 0 HD3 LYS A 44 5.695 -8.727 7.351 1.00 1.15 H new ATOM 0 HE2 LYS A 44 3.934 -10.502 9.084 1.00 1.77 H new ATOM 0 HE3 LYS A 44 5.674 -10.652 8.948 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 5.207 -9.390 10.878 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 5.824 -8.298 9.733 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 4.156 -8.347 10.048 1.00 2.43 H new ATOM 669 N GLY A 45 0.433 -8.040 4.497 1.00 0.37 N ATOM 670 CA GLY A 45 -0.833 -8.728 4.412 1.00 0.37 C ATOM 671 C GLY A 45 -1.407 -8.656 3.017 1.00 0.33 C ATOM 672 O GLY A 45 -0.690 -8.329 2.068 1.00 0.34 O ATOM 0 H GLY A 45 0.796 -7.709 3.603 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -0.702 -9.771 4.700 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.536 -8.288 5.119 1.00 0.37 H new ATOM 676 N ARG A 46 -2.694 -8.922 2.900 1.00 0.35 N ATOM 677 CA ARG A 46 -3.367 -8.937 1.611 1.00 0.36 C ATOM 678 C ARG A 46 -4.059 -7.597 1.368 1.00 0.34 C ATOM 679 O ARG A 46 -5.078 -7.293 1.987 1.00 0.48 O ATOM 680 CB ARG A 46 -4.380 -10.085 1.560 1.00 0.49 C ATOM 681 CG ARG A 46 -5.237 -10.091 0.308 1.00 0.97 C ATOM 682 CD ARG A 46 -6.203 -11.261 0.305 1.00 1.13 C ATOM 683 NE ARG A 46 -7.176 -11.168 -0.784 1.00 1.77 N ATOM 684 CZ ARG A 46 -7.826 -12.208 -1.294 1.00 2.26 C ATOM 685 NH1 ARG A 46 -7.590 -13.433 -0.837 1.00 2.15 N ATOM 686 NH2 ARG A 46 -8.715 -12.020 -2.261 1.00 3.27 N ATOM 0 H ARG A 46 -3.302 -9.133 3.691 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.629 -9.094 0.825 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.845 -11.032 1.627 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -5.029 -10.023 2.433 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -5.794 -9.157 0.242 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -4.597 -10.143 -0.573 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -5.644 -12.192 0.213 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -6.729 -11.299 1.259 1.00 1.13 H new ATOM 0 HE ARG A 46 -7.367 -10.246 -1.176 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -6.908 -13.577 -0.092 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -8.091 -14.230 -1.231 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -8.897 -11.079 -2.610 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -9.216 -12.816 -2.655 1.00 3.27 H new ATOM 700 N HIS A 47 -3.487 -6.790 0.483 1.00 0.32 N ATOM 701 CA HIS A 47 -4.000 -5.444 0.223 1.00 0.45 C ATOM 702 C HIS A 47 -3.916 -5.119 -1.261 1.00 0.43 C ATOM 703 O HIS A 47 -3.176 -5.767 -2.001 1.00 0.46 O ATOM 704 CB HIS A 47 -3.197 -4.401 1.013 1.00 0.68 C ATOM 705 CG HIS A 47 -3.202 -4.610 2.495 1.00 1.01 C ATOM 706 ND1 HIS A 47 -2.089 -5.020 3.201 1.00 1.79 N ATOM 707 CD2 HIS A 47 -4.191 -4.472 3.406 1.00 1.21 C ATOM 708 CE1 HIS A 47 -2.396 -5.123 4.480 1.00 1.98 C ATOM 709 NE2 HIS A 47 -3.664 -4.796 4.633 1.00 1.57 N ATOM 0 H HIS A 47 -2.667 -7.041 -0.069 1.00 0.32 H new ATOM 0 HA HIS A 47 -5.042 -5.414 0.541 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -2.166 -4.411 0.660 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -3.598 -3.411 0.797 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -5.207 -4.164 3.207 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -1.722 -5.424 5.269 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -4.171 -4.785 5.518 1.00 1.57 H new ATOM 718 N ASP A 48 -4.687 -4.126 -1.692 1.00 0.47 N ATOM 719 CA ASP A 48 -4.587 -3.620 -3.055 1.00 0.55 C ATOM 720 C ASP A 48 -3.509 -2.546 -3.122 1.00 0.48 C ATOM 721 O ASP A 48 -3.064 -2.056 -2.082 1.00 0.44 O ATOM 722 CB ASP A 48 -5.928 -3.053 -3.548 1.00 0.70 C ATOM 723 CG ASP A 48 -6.405 -1.859 -2.739 1.00 1.20 C ATOM 724 OD1 ASP A 48 -5.971 -0.730 -3.036 1.00 1.86 O ATOM 725 OD2 ASP A 48 -7.208 -2.045 -1.798 1.00 1.80 O ATOM 0 H ASP A 48 -5.387 -3.657 -1.117 1.00 0.47 H new ATOM 0 HA ASP A 48 -4.320 -4.451 -3.708 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -5.829 -2.760 -4.593 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -6.684 -3.837 -3.507 1.00 0.70 H new ATOM 730 N LEU A 49 -3.101 -2.183 -4.331 1.00 0.50 N ATOM 731 CA LEU A 49 -1.979 -1.264 -4.526 1.00 0.51 C ATOM 732 C LEU A 49 -2.216 0.074 -3.831 1.00 0.42 C ATOM 733 O LEU A 49 -1.404 0.504 -3.005 1.00 0.43 O ATOM 734 CB LEU A 49 -1.727 -1.037 -6.022 1.00 0.61 C ATOM 735 CG LEU A 49 -0.539 -0.127 -6.350 1.00 0.73 C ATOM 736 CD1 LEU A 49 0.761 -0.732 -5.835 1.00 1.16 C ATOM 737 CD2 LEU A 49 -0.455 0.114 -7.849 1.00 1.18 C ATOM 0 H LEU A 49 -3.530 -2.510 -5.197 1.00 0.50 H new ATOM 0 HA LEU A 49 -1.099 -1.725 -4.077 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -1.566 -2.004 -6.498 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -2.626 -0.609 -6.465 1.00 0.61 H new ATOM 0 HG LEU A 49 -0.692 0.830 -5.851 1.00 0.73 H new ATOM 0 HD11 LEU A 49 1.592 -0.070 -6.078 1.00 1.16 H new ATOM 0 HD12 LEU A 49 0.701 -0.857 -4.754 1.00 1.16 H new ATOM 0 HD13 LEU A 49 0.921 -1.703 -6.304 1.00 1.16 H new ATOM 0 HD21 LEU A 49 0.394 0.762 -8.066 1.00 1.18 H new ATOM 0 HD22 LEU A 49 -0.326 -0.838 -8.364 1.00 1.18 H new ATOM 0 HD23 LEU A 49 -1.373 0.591 -8.193 1.00 1.18 H new ATOM 749 N GLN A 50 -3.336 0.711 -4.155 1.00 0.41 N ATOM 750 CA GLN A 50 -3.646 2.043 -3.641 1.00 0.42 C ATOM 751 C GLN A 50 -3.724 2.052 -2.122 1.00 0.39 C ATOM 752 O GLN A 50 -3.160 2.933 -1.475 1.00 0.41 O ATOM 753 CB GLN A 50 -4.962 2.553 -4.232 1.00 0.52 C ATOM 754 CG GLN A 50 -4.917 2.770 -5.737 1.00 1.21 C ATOM 755 CD GLN A 50 -3.953 3.870 -6.150 1.00 1.67 C ATOM 756 OE1 GLN A 50 -2.938 4.111 -5.501 1.00 2.15 O ATOM 757 NE2 GLN A 50 -4.272 4.553 -7.234 1.00 2.39 N ATOM 0 H GLN A 50 -4.049 0.325 -4.774 1.00 0.41 H new ATOM 0 HA GLN A 50 -2.836 2.707 -3.943 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -5.753 1.840 -4.001 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -5.227 3.492 -3.747 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -4.627 1.839 -6.224 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -5.917 3.018 -6.093 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -5.123 4.325 -7.748 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -3.668 5.308 -7.557 1.00 2.39 H new ATOM 766 N SER A 51 -4.416 1.069 -1.560 1.00 0.41 N ATOM 767 CA SER A 51 -4.562 0.977 -0.115 1.00 0.46 C ATOM 768 C SER A 51 -3.198 0.835 0.553 1.00 0.41 C ATOM 769 O SER A 51 -2.925 1.475 1.569 1.00 0.43 O ATOM 770 CB SER A 51 -5.462 -0.203 0.255 1.00 0.57 C ATOM 771 OG SER A 51 -5.729 -0.231 1.647 1.00 1.33 O ATOM 0 H SER A 51 -4.883 0.327 -2.082 1.00 0.41 H new ATOM 0 HA SER A 51 -5.027 1.895 0.244 1.00 0.46 H new ATOM 0 HB2 SER A 51 -6.400 -0.134 -0.296 1.00 0.57 H new ATOM 0 HB3 SER A 51 -4.984 -1.136 -0.045 1.00 0.57 H new ATOM 0 HG SER A 51 -6.307 -0.995 1.854 1.00 1.33 H new ATOM 777 N SER A 52 -2.337 0.018 -0.038 1.00 0.40 N ATOM 778 CA SER A 52 -1.005 -0.207 0.503 1.00 0.43 C ATOM 779 C SER A 52 -0.198 1.090 0.522 1.00 0.41 C ATOM 780 O SER A 52 0.399 1.440 1.538 1.00 0.45 O ATOM 781 CB SER A 52 -0.282 -1.274 -0.318 1.00 0.49 C ATOM 782 OG SER A 52 -1.053 -2.462 -0.381 1.00 1.21 O ATOM 0 H SER A 52 -2.538 -0.500 -0.893 1.00 0.40 H new ATOM 0 HA SER A 52 -1.104 -0.557 1.531 1.00 0.43 H new ATOM 0 HB2 SER A 52 -0.095 -0.901 -1.325 1.00 0.49 H new ATOM 0 HB3 SER A 52 0.689 -1.488 0.128 1.00 0.49 H new ATOM 0 HG SER A 52 -1.722 -2.380 -1.092 1.00 1.21 H new ATOM 788 N LEU A 53 -0.200 1.806 -0.599 1.00 0.39 N ATOM 789 CA LEU A 53 0.530 3.064 -0.705 1.00 0.41 C ATOM 790 C LEU A 53 -0.037 4.099 0.263 1.00 0.40 C ATOM 791 O LEU A 53 0.703 4.775 0.978 1.00 0.46 O ATOM 792 CB LEU A 53 0.451 3.606 -2.136 1.00 0.44 C ATOM 793 CG LEU A 53 1.066 2.708 -3.213 1.00 0.51 C ATOM 794 CD1 LEU A 53 0.817 3.293 -4.594 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.556 2.529 -2.973 1.00 0.56 C ATOM 0 H LEU A 53 -0.699 1.536 -1.446 1.00 0.39 H new ATOM 0 HA LEU A 53 1.572 2.873 -0.449 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.596 3.777 -2.384 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.949 4.575 -2.167 1.00 0.44 H new ATOM 0 HG LEU A 53 0.590 1.729 -3.159 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.260 2.644 -5.349 1.00 0.70 H new ATOM 0 HD12 LEU A 53 -0.256 3.372 -4.768 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.269 4.283 -4.657 1.00 0.70 H new ATOM 0 HD21 LEU A 53 2.975 1.888 -3.749 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.048 3.501 -3.001 1.00 0.56 H new ATOM 0 HD23 LEU A 53 2.715 2.069 -1.997 1.00 0.56 H new ATOM 807 N ARG A 54 -1.358 4.197 0.280 1.00 0.38 N ATOM 808 CA ARG A 54 -2.059 5.172 1.100 1.00 0.43 C ATOM 809 C ARG A 54 -1.792 4.944 2.584 1.00 0.42 C ATOM 810 O ARG A 54 -1.447 5.876 3.304 1.00 0.48 O ATOM 811 CB ARG A 54 -3.559 5.095 0.808 1.00 0.51 C ATOM 812 CG ARG A 54 -4.408 6.089 1.580 1.00 1.10 C ATOM 813 CD ARG A 54 -5.841 6.067 1.077 1.00 1.31 C ATOM 814 NE ARG A 54 -6.719 6.927 1.863 1.00 1.87 N ATOM 815 CZ ARG A 54 -7.624 7.747 1.329 1.00 2.48 C ATOM 816 NH1 ARG A 54 -7.671 7.928 0.016 1.00 2.70 N ATOM 817 NH2 ARG A 54 -8.455 8.414 2.118 1.00 3.38 N ATOM 0 H ARG A 54 -1.974 3.602 -0.275 1.00 0.38 H new ATOM 0 HA ARG A 54 -1.690 6.167 0.850 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -3.716 5.255 -0.259 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -3.908 4.087 1.034 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.385 5.847 2.643 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -3.994 7.091 1.472 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -5.862 6.386 0.035 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -6.218 5.045 1.105 1.00 1.31 H new ATOM 0 HE ARG A 54 -6.636 6.899 2.879 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -7.013 7.439 -0.590 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -8.366 8.557 -0.388 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -8.400 8.299 3.130 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -9.149 9.042 1.713 1.00 3.38 H new ATOM 831 N ILE A 55 -1.930 3.700 3.032 1.00 0.42 N ATOM 832 CA ILE A 55 -1.775 3.378 4.450 1.00 0.47 C ATOM 833 C ILE A 55 -0.313 3.450 4.897 1.00 0.49 C ATOM 834 O ILE A 55 -0.025 3.862 6.020 1.00 0.59 O ATOM 835 CB ILE A 55 -2.356 1.983 4.788 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.852 1.943 4.470 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.119 1.637 6.255 1.00 0.66 C ATOM 838 CD1 ILE A 55 -4.497 0.596 4.723 1.00 1.24 C ATOM 0 H ILE A 55 -2.148 2.900 2.438 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.340 4.133 4.997 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.844 1.241 4.175 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.361 2.697 5.070 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -3.999 2.215 3.425 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -2.536 0.653 6.469 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.048 1.630 6.459 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.603 2.381 6.887 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -5.557 0.648 4.474 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -4.015 -0.160 4.103 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.384 0.330 5.774 1.00 1.24 H new ATOM 850 N LEU A 56 0.605 3.060 4.019 1.00 0.45 N ATOM 851 CA LEU A 56 2.024 3.023 4.365 1.00 0.52 C ATOM 852 C LEU A 56 2.563 4.434 4.597 1.00 0.53 C ATOM 853 O LEU A 56 3.245 4.692 5.589 1.00 0.65 O ATOM 854 CB LEU A 56 2.819 2.303 3.266 1.00 0.57 C ATOM 855 CG LEU A 56 4.178 1.720 3.688 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.642 0.683 2.681 1.00 1.04 C ATOM 857 CD2 LEU A 56 5.233 2.811 3.822 1.00 1.63 C ATOM 0 H LEU A 56 0.394 2.766 3.065 1.00 0.45 H new ATOM 0 HA LEU A 56 2.141 2.466 5.295 1.00 0.52 H new ATOM 0 HB2 LEU A 56 2.205 1.493 2.873 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.985 3.003 2.447 1.00 0.57 H new ATOM 0 HG LEU A 56 4.047 1.248 4.662 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.605 0.279 2.992 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.911 -0.123 2.626 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.744 1.148 1.700 1.00 1.04 H new ATOM 0 HD21 LEU A 56 6.181 2.365 4.121 1.00 1.63 H new ATOM 0 HD22 LEU A 56 5.356 3.317 2.865 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.917 3.532 4.576 1.00 1.63 H new ATOM 869 N LEU A 57 2.251 5.350 3.687 1.00 0.51 N ATOM 870 CA LEU A 57 2.730 6.726 3.804 1.00 0.63 C ATOM 871 C LEU A 57 1.894 7.517 4.808 1.00 0.72 C ATOM 872 O LEU A 57 2.352 8.526 5.349 1.00 1.16 O ATOM 873 CB LEU A 57 2.731 7.431 2.440 1.00 0.80 C ATOM 874 CG LEU A 57 3.895 7.078 1.503 1.00 1.29 C ATOM 875 CD1 LEU A 57 5.223 7.310 2.204 1.00 1.68 C ATOM 876 CD2 LEU A 57 3.794 5.642 1.003 1.00 2.17 C ATOM 0 H LEU A 57 1.673 5.169 2.866 1.00 0.51 H new ATOM 0 HA LEU A 57 3.756 6.684 4.169 1.00 0.63 H new ATOM 0 HB2 LEU A 57 1.796 7.196 1.931 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.740 8.508 2.609 1.00 0.80 H new ATOM 0 HG LEU A 57 3.837 7.733 0.633 1.00 1.29 H new ATOM 0 HD11 LEU A 57 6.040 7.056 1.529 1.00 1.68 H new ATOM 0 HD12 LEU A 57 5.304 8.358 2.493 1.00 1.68 H new ATOM 0 HD13 LEU A 57 5.279 6.683 3.094 1.00 1.68 H new ATOM 0 HD21 LEU A 57 4.634 5.427 0.342 1.00 2.17 H new ATOM 0 HD22 LEU A 57 3.816 4.959 1.852 1.00 2.17 H new ATOM 0 HD23 LEU A 57 2.860 5.512 0.456 1.00 2.17 H new ATOM 888 N GLN A 58 0.660 7.078 5.018 1.00 0.61 N ATOM 889 CA GLN A 58 -0.221 7.665 6.024 1.00 0.79 C ATOM 890 C GLN A 58 0.460 7.721 7.392 1.00 1.05 C ATOM 891 O GLN A 58 0.673 6.691 8.030 1.00 2.03 O ATOM 892 CB GLN A 58 -1.508 6.848 6.121 1.00 0.90 C ATOM 893 CG GLN A 58 -2.534 7.412 7.086 1.00 1.29 C ATOM 894 CD GLN A 58 -3.755 6.522 7.205 1.00 1.60 C ATOM 895 OE1 GLN A 58 -4.866 6.998 7.426 1.00 2.30 O ATOM 896 NE2 GLN A 58 -3.553 5.219 7.067 1.00 1.85 N ATOM 0 H GLN A 58 0.241 6.307 4.498 1.00 0.61 H new ATOM 0 HA GLN A 58 -0.454 8.685 5.719 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -1.957 6.780 5.130 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.258 5.832 6.428 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -2.078 7.534 8.068 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -2.840 8.403 6.751 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -2.614 4.865 6.884 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -4.337 4.571 7.144 1.00 1.85 H new ATOM 905 N GLY A 59 0.800 8.922 7.831 1.00 0.97 N ATOM 906 CA GLY A 59 1.415 9.085 9.132 1.00 1.28 C ATOM 907 C GLY A 59 2.924 9.034 9.059 1.00 1.13 C ATOM 908 O GLY A 59 3.551 8.146 9.637 1.00 1.42 O ATOM 0 H GLY A 59 0.661 9.788 7.310 1.00 0.97 H new ATOM 0 HA2 GLY A 59 1.105 10.038 9.562 1.00 1.28 H new ATOM 0 HA3 GLY A 59 1.058 8.302 9.802 1.00 1.28 H new ATOM 912 N THR A 60 3.510 9.996 8.358 1.00 0.95 N ATOM 913 CA THR A 60 4.954 10.030 8.148 1.00 0.99 C ATOM 914 C THR A 60 5.472 11.467 8.139 1.00 1.06 C ATOM 915 O THR A 60 6.563 11.753 8.641 1.00 1.25 O ATOM 916 CB THR A 60 5.360 9.364 6.818 1.00 1.04 C ATOM 917 OG1 THR A 60 4.581 9.910 5.744 1.00 0.99 O ATOM 918 CG2 THR A 60 5.186 7.852 6.873 1.00 1.21 C ATOM 0 H THR A 60 3.005 10.768 7.922 1.00 0.95 H new ATOM 0 HA THR A 60 5.396 9.475 8.976 1.00 0.99 H new ATOM 0 HB THR A 60 6.416 9.571 6.646 1.00 1.04 H new ATOM 0 HG1 THR A 60 3.700 9.480 5.727 1.00 0.99 H new ATOM 0 HG21 THR A 60 5.482 7.417 5.918 1.00 1.21 H new ATOM 0 HG22 THR A 60 5.810 7.443 7.667 1.00 1.21 H new ATOM 0 HG23 THR A 60 4.141 7.613 7.073 1.00 1.21 H new ATOM 926 N GLY A 61 4.673 12.373 7.584 1.00 1.08 N ATOM 927 CA GLY A 61 5.126 13.731 7.377 1.00 1.32 C ATOM 928 C GLY A 61 5.551 13.954 5.941 1.00 1.26 C ATOM 929 O GLY A 61 6.105 15.002 5.599 1.00 1.35 O ATOM 0 H GLY A 61 3.719 12.188 7.274 1.00 1.08 H new ATOM 0 HA2 GLY A 61 4.327 14.427 7.635 1.00 1.32 H new ATOM 0 HA3 GLY A 61 5.962 13.944 8.044 1.00 1.32 H new ATOM 933 N LEU A 62 5.291 12.954 5.102 1.00 1.16 N ATOM 934 CA LEU A 62 5.678 12.996 3.699 1.00 1.11 C ATOM 935 C LEU A 62 4.441 12.948 2.805 1.00 1.07 C ATOM 936 O LEU A 62 3.368 12.528 3.238 1.00 1.14 O ATOM 937 CB LEU A 62 6.597 11.810 3.375 1.00 1.10 C ATOM 938 CG LEU A 62 7.782 11.613 4.328 1.00 1.19 C ATOM 939 CD1 LEU A 62 8.554 10.356 3.966 1.00 1.23 C ATOM 940 CD2 LEU A 62 8.703 12.820 4.300 1.00 1.28 C ATOM 0 H LEU A 62 4.809 12.098 5.376 1.00 1.16 H new ATOM 0 HA LEU A 62 6.212 13.928 3.512 1.00 1.11 H new ATOM 0 HB2 LEU A 62 5.999 10.899 3.374 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.984 11.938 2.364 1.00 1.10 H new ATOM 0 HG LEU A 62 7.389 11.503 5.339 1.00 1.19 H new ATOM 0 HD11 LEU A 62 9.391 10.233 4.653 1.00 1.23 H new ATOM 0 HD12 LEU A 62 7.895 9.491 4.038 1.00 1.23 H new ATOM 0 HD13 LEU A 62 8.931 10.441 2.947 1.00 1.23 H new ATOM 0 HD21 LEU A 62 9.536 12.658 4.984 1.00 1.28 H new ATOM 0 HD22 LEU A 62 9.085 12.963 3.289 1.00 1.28 H new ATOM 0 HD23 LEU A 62 8.149 13.707 4.607 1.00 1.28 H new ATOM 952 N ARG A 63 4.600 13.370 1.557 1.00 1.01 N ATOM 953 CA ARG A 63 3.516 13.352 0.583 1.00 1.03 C ATOM 954 C ARG A 63 3.838 12.368 -0.536 1.00 0.92 C ATOM 955 O ARG A 63 4.908 12.439 -1.147 1.00 0.87 O ATOM 956 CB ARG A 63 3.278 14.751 -0.005 1.00 1.15 C ATOM 957 CG ARG A 63 2.740 15.759 0.999 1.00 1.51 C ATOM 958 CD ARG A 63 2.492 17.119 0.358 1.00 1.78 C ATOM 959 NE ARG A 63 1.980 18.088 1.329 1.00 2.51 N ATOM 960 CZ ARG A 63 1.745 19.374 1.067 1.00 3.28 C ATOM 961 NH1 ARG A 63 1.969 19.877 -0.139 1.00 3.53 N ATOM 962 NH2 ARG A 63 1.273 20.163 2.024 1.00 4.21 N ATOM 0 H ARG A 63 5.481 13.733 1.192 1.00 1.01 H new ATOM 0 HA ARG A 63 2.606 13.036 1.093 1.00 1.03 H new ATOM 0 HB2 ARG A 63 4.216 15.126 -0.415 1.00 1.15 H new ATOM 0 HB3 ARG A 63 2.577 14.671 -0.836 1.00 1.15 H new ATOM 0 HG2 ARG A 63 1.811 15.384 1.428 1.00 1.51 H new ATOM 0 HG3 ARG A 63 3.449 15.868 1.820 1.00 1.51 H new ATOM 0 HD2 ARG A 63 3.420 17.492 -0.075 1.00 1.78 H new ATOM 0 HD3 ARG A 63 1.780 17.012 -0.460 1.00 1.78 H new ATOM 0 HE ARG A 63 1.789 17.755 2.274 1.00 2.51 H new ATOM 0 HH11 ARG A 63 2.326 19.278 -0.883 1.00 3.53 H new ATOM 0 HH12 ARG A 63 1.784 20.863 -0.323 1.00 3.53 H new ATOM 0 HH21 ARG A 63 1.092 19.785 2.954 1.00 4.21 H new ATOM 0 HH22 ARG A 63 1.091 21.148 1.830 1.00 4.21 H new ATOM 976 N TYR A 64 2.918 11.451 -0.792 1.00 0.96 N ATOM 977 CA TYR A 64 3.116 10.440 -1.817 1.00 0.91 C ATOM 978 C TYR A 64 2.372 10.814 -3.095 1.00 0.89 C ATOM 979 O TYR A 64 1.300 11.418 -3.048 1.00 0.94 O ATOM 980 CB TYR A 64 2.672 9.056 -1.320 1.00 0.92 C ATOM 981 CG TYR A 64 1.184 8.924 -1.055 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.626 9.375 0.135 1.00 1.02 C ATOM 983 CD2 TYR A 64 0.344 8.332 -1.989 1.00 1.06 C ATOM 984 CE1 TYR A 64 -0.726 9.239 0.385 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.010 8.199 -1.750 1.00 1.18 C ATOM 986 CZ TYR A 64 -1.540 8.654 -0.560 1.00 1.20 C ATOM 987 OH TYR A 64 -2.888 8.514 -0.318 1.00 1.37 O ATOM 0 H TYR A 64 2.025 11.387 -0.303 1.00 0.96 H new ATOM 0 HA TYR A 64 4.182 10.393 -2.040 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.963 8.309 -2.059 1.00 0.92 H new ATOM 0 HB3 TYR A 64 3.212 8.824 -0.402 1.00 0.92 H new ATOM 0 HD1 TYR A 64 1.259 9.839 0.876 1.00 1.02 H new ATOM 0 HD2 TYR A 64 0.757 7.969 -2.919 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -1.143 9.590 1.317 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -1.650 7.742 -2.490 1.00 1.18 H new ATOM 0 HH TYR A 64 -3.315 8.083 -1.087 1.00 1.37 H new ATOM 997 N GLN A 65 2.960 10.463 -4.226 1.00 0.90 N ATOM 998 CA GLN A 65 2.357 10.721 -5.529 1.00 0.93 C ATOM 999 C GLN A 65 2.438 9.471 -6.389 1.00 0.87 C ATOM 1000 O GLN A 65 3.517 8.903 -6.556 1.00 0.86 O ATOM 1001 CB GLN A 65 3.072 11.868 -6.252 1.00 1.03 C ATOM 1002 CG GLN A 65 2.961 13.217 -5.561 1.00 1.59 C ATOM 1003 CD GLN A 65 3.698 14.309 -6.313 1.00 2.07 C ATOM 1004 OE1 GLN A 65 3.309 15.479 -6.280 1.00 2.64 O ATOM 1005 NE2 GLN A 65 4.767 13.937 -6.998 1.00 2.63 N ATOM 0 H GLN A 65 3.864 9.993 -4.271 1.00 0.90 H new ATOM 0 HA GLN A 65 1.316 11.001 -5.368 1.00 0.93 H new ATOM 0 HB2 GLN A 65 4.127 11.613 -6.356 1.00 1.03 H new ATOM 0 HB3 GLN A 65 2.664 11.956 -7.259 1.00 1.03 H new ATOM 0 HG2 GLN A 65 1.910 13.489 -5.466 1.00 1.59 H new ATOM 0 HG3 GLN A 65 3.362 13.140 -4.551 1.00 1.59 H new ATOM 0 HE21 GLN A 65 5.056 12.959 -7.000 1.00 2.63 H new ATOM 0 HE22 GLN A 65 5.302 14.628 -7.524 1.00 2.63 H new ATOM 1014 N ILE A 66 1.311 9.035 -6.928 1.00 0.88 N ATOM 1015 CA ILE A 66 1.295 7.866 -7.791 1.00 0.86 C ATOM 1016 C ILE A 66 1.186 8.269 -9.259 1.00 0.98 C ATOM 1017 O ILE A 66 0.264 8.983 -9.664 1.00 1.11 O ATOM 1018 CB ILE A 66 0.159 6.879 -7.423 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.150 5.695 -8.402 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -1.192 7.581 -7.399 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.852 4.615 -8.051 1.00 1.13 C ATOM 0 H ILE A 66 0.400 9.471 -6.784 1.00 0.88 H new ATOM 0 HA ILE A 66 2.243 7.351 -7.635 1.00 0.86 H new ATOM 0 HB ILE A 66 0.346 6.496 -6.420 1.00 0.92 H new ATOM 0 HG12 ILE A 66 -0.067 6.066 -9.404 1.00 1.02 H new ATOM 0 HG13 ILE A 66 1.147 5.255 -8.434 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.970 6.864 -7.138 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -1.173 8.381 -6.659 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.401 8.001 -8.383 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.798 3.814 -8.789 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.624 4.214 -7.063 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.857 5.038 -8.048 1.00 1.13 H new ATOM 1033 N ASP A 67 2.148 7.820 -10.045 1.00 1.04 N ATOM 1034 CA ASP A 67 2.182 8.099 -11.471 1.00 1.25 C ATOM 1035 C ASP A 67 2.332 6.802 -12.255 1.00 1.20 C ATOM 1036 O ASP A 67 3.447 6.343 -12.509 1.00 1.13 O ATOM 1037 CB ASP A 67 3.334 9.052 -11.813 1.00 1.45 C ATOM 1038 CG ASP A 67 3.094 10.469 -11.330 1.00 1.82 C ATOM 1039 OD1 ASP A 67 2.056 11.059 -11.697 1.00 2.28 O ATOM 1040 OD2 ASP A 67 3.949 11.008 -10.595 1.00 2.29 O ATOM 0 H ASP A 67 2.928 7.252 -9.714 1.00 1.04 H new ATOM 0 HA ASP A 67 1.243 8.579 -11.748 1.00 1.25 H new ATOM 0 HB2 ASP A 67 4.255 8.674 -11.369 1.00 1.45 H new ATOM 0 HB3 ASP A 67 3.481 9.062 -12.893 1.00 1.45 H new ATOM 1045 N GLY A 68 1.204 6.213 -12.633 1.00 1.28 N ATOM 1046 CA GLY A 68 1.217 4.953 -13.355 1.00 1.30 C ATOM 1047 C GLY A 68 1.765 3.810 -12.520 1.00 1.14 C ATOM 1048 O GLY A 68 1.054 3.236 -11.695 1.00 1.18 O ATOM 0 H GLY A 68 0.273 6.588 -12.451 1.00 1.28 H new ATOM 0 HA2 GLY A 68 0.204 4.711 -13.675 1.00 1.30 H new ATOM 0 HA3 GLY A 68 1.819 5.061 -14.257 1.00 1.30 H new ATOM 1052 N ASN A 69 3.030 3.476 -12.735 1.00 1.03 N ATOM 1053 CA ASN A 69 3.692 2.433 -11.959 1.00 0.94 C ATOM 1054 C ASN A 69 4.867 3.023 -11.193 1.00 0.75 C ATOM 1055 O ASN A 69 5.682 2.303 -10.617 1.00 0.69 O ATOM 1056 CB ASN A 69 4.172 1.292 -12.864 1.00 1.06 C ATOM 1057 CG ASN A 69 5.246 1.728 -13.846 1.00 1.67 C ATOM 1058 OD1 ASN A 69 4.942 2.202 -14.939 1.00 2.35 O ATOM 1059 ND2 ASN A 69 6.505 1.556 -13.473 1.00 2.29 N ATOM 0 H ASN A 69 3.621 3.913 -13.442 1.00 1.03 H new ATOM 0 HA ASN A 69 2.971 2.023 -11.252 1.00 0.94 H new ATOM 0 HB2 ASN A 69 4.560 0.483 -12.245 1.00 1.06 H new ATOM 0 HB3 ASN A 69 3.322 0.892 -13.417 1.00 1.06 H new ATOM 0 HD21 ASN A 69 7.264 1.820 -14.101 1.00 2.29 H new ATOM 0 HD22 ASN A 69 6.716 1.159 -12.557 1.00 2.29 H new ATOM 1066 N THR A 70 4.951 4.342 -11.205 1.00 0.74 N ATOM 1067 CA THR A 70 5.988 5.050 -10.484 1.00 0.68 C ATOM 1068 C THR A 70 5.370 5.827 -9.328 1.00 0.63 C ATOM 1069 O THR A 70 4.306 6.421 -9.472 1.00 0.71 O ATOM 1070 CB THR A 70 6.750 6.019 -11.414 1.00 0.85 C ATOM 1071 OG1 THR A 70 7.222 5.314 -12.571 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.930 6.662 -10.696 1.00 0.89 C ATOM 0 H THR A 70 4.305 4.947 -11.712 1.00 0.74 H new ATOM 0 HA THR A 70 6.697 4.318 -10.098 1.00 0.68 H new ATOM 0 HB THR A 70 6.060 6.807 -11.716 1.00 0.85 H new ATOM 0 HG1 THR A 70 7.703 5.934 -13.158 1.00 0.97 H new ATOM 0 HG21 THR A 70 8.446 7.339 -11.377 1.00 0.89 H new ATOM 0 HG22 THR A 70 7.570 7.222 -9.833 1.00 0.89 H new ATOM 0 HG23 THR A 70 8.620 5.887 -10.363 1.00 0.89 H new ATOM 1080 N VAL A 71 6.022 5.805 -8.182 1.00 0.56 N ATOM 1081 CA VAL A 71 5.515 6.488 -7.005 1.00 0.58 C ATOM 1082 C VAL A 71 6.581 7.425 -6.461 1.00 0.57 C ATOM 1083 O VAL A 71 7.750 7.058 -6.375 1.00 0.57 O ATOM 1084 CB VAL A 71 5.085 5.488 -5.907 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.391 6.203 -4.754 1.00 0.68 C ATOM 1086 CG2 VAL A 71 4.185 4.402 -6.487 1.00 0.65 C ATOM 0 H VAL A 71 6.908 5.320 -8.039 1.00 0.56 H new ATOM 0 HA VAL A 71 4.634 7.059 -7.299 1.00 0.58 H new ATOM 0 HB VAL A 71 5.985 5.014 -5.515 1.00 0.60 H new ATOM 0 HG11 VAL A 71 4.100 5.475 -3.997 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.073 6.931 -4.314 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.503 6.715 -5.125 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.895 3.710 -5.697 1.00 0.65 H new ATOM 0 HG22 VAL A 71 3.293 4.859 -6.915 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.723 3.860 -7.264 1.00 0.65 H new ATOM 1096 N THR A 72 6.185 8.633 -6.114 1.00 0.63 N ATOM 1097 CA THR A 72 7.123 9.636 -5.642 1.00 0.66 C ATOM 1098 C THR A 72 6.884 9.940 -4.166 1.00 0.70 C ATOM 1099 O THR A 72 5.744 10.164 -3.752 1.00 0.78 O ATOM 1100 CB THR A 72 6.991 10.932 -6.462 1.00 0.75 C ATOM 1101 OG1 THR A 72 6.945 10.614 -7.860 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.158 11.870 -6.192 1.00 0.80 C ATOM 0 H THR A 72 5.215 8.947 -6.150 1.00 0.63 H new ATOM 0 HA THR A 72 8.130 9.239 -5.766 1.00 0.66 H new ATOM 0 HB THR A 72 6.070 11.434 -6.165 1.00 0.75 H new ATOM 0 HG1 THR A 72 6.859 11.440 -8.381 1.00 0.76 H new ATOM 0 HG21 THR A 72 8.040 12.778 -6.784 1.00 0.80 H new ATOM 0 HG22 THR A 72 8.180 12.128 -5.133 1.00 0.80 H new ATOM 0 HG23 THR A 72 9.091 11.378 -6.465 1.00 0.80 H new ATOM 1110 N VAL A 73 7.951 9.925 -3.380 1.00 0.70 N ATOM 1111 CA VAL A 73 7.863 10.234 -1.962 1.00 0.76 C ATOM 1112 C VAL A 73 8.693 11.475 -1.639 1.00 0.90 C ATOM 1113 O VAL A 73 9.922 11.449 -1.716 1.00 1.01 O ATOM 1114 CB VAL A 73 8.349 9.050 -1.093 1.00 0.79 C ATOM 1115 CG1 VAL A 73 8.206 9.366 0.389 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.590 7.778 -1.445 1.00 0.75 C ATOM 0 H VAL A 73 8.892 9.701 -3.704 1.00 0.70 H new ATOM 0 HA VAL A 73 6.815 10.423 -1.731 1.00 0.76 H new ATOM 0 HB VAL A 73 9.406 8.890 -1.304 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.555 8.517 0.977 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.802 10.246 0.633 1.00 0.89 H new ATOM 0 HG13 VAL A 73 7.159 9.562 0.620 1.00 0.89 H new ATOM 0 HG21 VAL A 73 7.947 6.957 -0.823 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.525 7.930 -1.270 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.754 7.535 -2.495 1.00 0.75 H new ATOM 1126 N THR A 74 8.010 12.558 -1.305 1.00 0.97 N ATOM 1127 CA THR A 74 8.672 13.810 -0.973 1.00 1.15 C ATOM 1128 C THR A 74 8.136 14.354 0.350 1.00 1.11 C ATOM 1129 O THR A 74 6.998 14.080 0.725 1.00 0.99 O ATOM 1130 CB THR A 74 8.472 14.851 -2.099 1.00 1.38 C ATOM 1131 OG1 THR A 74 9.241 16.031 -1.832 1.00 1.87 O ATOM 1132 CG2 THR A 74 7.005 15.225 -2.256 1.00 1.47 C ATOM 0 H THR A 74 6.992 12.595 -1.256 1.00 0.97 H new ATOM 0 HA THR A 74 9.740 13.618 -0.870 1.00 1.15 H new ATOM 0 HB THR A 74 8.814 14.397 -3.029 1.00 1.38 H new ATOM 0 HG1 THR A 74 9.106 16.680 -2.554 1.00 1.87 H new ATOM 0 HG21 THR A 74 6.900 15.958 -3.056 1.00 1.47 H new ATOM 0 HG22 THR A 74 6.427 14.334 -2.502 1.00 1.47 H new ATOM 0 HG23 THR A 74 6.636 15.650 -1.323 1.00 1.47 H new