USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 618 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 69 ASN : amide:sc= -1.65! K(o=-1.6!,f=0) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 65 GLN : amide:sc= 0.222 K(o=0.43,f=-0.32) USER MOD Set 2.2: A 74 THR OG1 : rot -80:sc= 0.212 USER MOD Set 3.1: A 24 THR OG1 : rot -70:sc= 2.09 USER MOD Set 3.2: A 26 THR OG1 : rot -105:sc= 1.28 USER MOD Set 4.1: A 11 GLN : amide:sc= 0.23 K(o=0.23,f=-0.58) USER MOD Set 4.2: A 12 SER OG : rot 103:sc= 0.567 USER MOD Set 4.3: A 14 ASN : amide:sc= -0.825 K(o=0.23,f=-6.2!) USER MOD Set 4.4: A 15 SER OG : rot 170:sc= 0.263 USER MOD Single : A 1 SER N :NH3+ -151:sc= 1.08 (180deg=0.746) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.405 X(o=-0.41,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -168:sc= -0.53 (180deg=-0.921) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.062 (180deg=-0.35) USER MOD Single : A 23 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.25) USER MOD Single : A 27 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.15) USER MOD Single : A 30 TYR OH : rot -122:sc= 0.893 USER MOD Single : A 31 SER OG : rot -122:sc= 1.23 USER MOD Single : A 40 SER OG : rot 104:sc= 0.12 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -109:sc= 1.24 (180deg=-0.0458) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 51 SER OG : rot 144:sc= 1.25 USER MOD Single : A 52 SER OG : rot 73:sc= 1.23 USER MOD Single : A 58 GLN : amide:sc= -1.27 K(o=-1.3,f=-5.8!) USER MOD Single : A 60 THR OG1 : rot 110:sc= -0.324 USER MOD Single : A 64 TYR OH : rot 180:sc=-0.00115 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0119 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.222 -5.940 -5.389 1.00 2.75 N ATOM 2 CA SER A 1 -10.413 -6.839 -6.543 1.00 2.38 C ATOM 3 C SER A 1 -9.069 -7.198 -7.169 1.00 1.65 C ATOM 4 O SER A 1 -8.919 -8.258 -7.778 1.00 1.91 O ATOM 5 CB SER A 1 -11.310 -6.161 -7.575 1.00 2.96 C ATOM 6 OG SER A 1 -12.508 -5.695 -6.976 1.00 3.75 O ATOM 0 H1 SER A 1 -10.992 -6.085 -4.705 1.00 2.75 H new ATOM 0 H2 SER A 1 -9.310 -6.148 -4.934 1.00 2.75 H new ATOM 0 H3 SER A 1 -10.229 -4.952 -5.714 1.00 2.75 H new ATOM 0 HA SER A 1 -10.888 -7.759 -6.201 1.00 2.38 H new ATOM 0 HB2 SER A 1 -10.779 -5.326 -8.032 1.00 2.96 H new ATOM 0 HB3 SER A 1 -11.547 -6.864 -8.374 1.00 2.96 H new ATOM 0 HG SER A 1 -13.067 -5.263 -7.655 1.00 3.75 H new ATOM 14 N GLN A 2 -8.100 -6.303 -7.020 1.00 1.37 N ATOM 15 CA GLN A 2 -6.770 -6.500 -7.580 1.00 0.95 C ATOM 16 C GLN A 2 -5.711 -6.154 -6.536 1.00 0.75 C ATOM 17 O GLN A 2 -5.152 -5.058 -6.545 1.00 0.86 O ATOM 18 CB GLN A 2 -6.595 -5.623 -8.826 1.00 1.47 C ATOM 19 CG GLN A 2 -7.584 -5.934 -9.941 1.00 2.07 C ATOM 20 CD GLN A 2 -7.606 -4.876 -11.030 1.00 2.71 C ATOM 21 OE1 GLN A 2 -8.637 -4.650 -11.667 1.00 3.23 O ATOM 22 NE2 GLN A 2 -6.478 -4.223 -11.257 1.00 3.34 N ATOM 0 H GLN A 2 -8.213 -5.426 -6.511 1.00 1.37 H new ATOM 0 HA GLN A 2 -6.652 -7.545 -7.866 1.00 0.95 H new ATOM 0 HB2 GLN A 2 -6.702 -4.577 -8.540 1.00 1.47 H new ATOM 0 HB3 GLN A 2 -5.581 -5.748 -9.207 1.00 1.47 H new ATOM 0 HG2 GLN A 2 -7.332 -6.898 -10.384 1.00 2.07 H new ATOM 0 HG3 GLN A 2 -8.583 -6.030 -9.516 1.00 2.07 H new ATOM 0 HE21 GLN A 2 -5.645 -4.438 -10.709 1.00 3.34 H new ATOM 0 HE22 GLN A 2 -6.441 -3.504 -11.980 1.00 3.34 H new ATOM 31 N GLU A 3 -5.443 -7.091 -5.635 1.00 0.57 N ATOM 32 CA GLU A 3 -4.504 -6.851 -4.545 1.00 0.47 C ATOM 33 C GLU A 3 -3.254 -7.708 -4.698 1.00 0.42 C ATOM 34 O GLU A 3 -3.155 -8.533 -5.609 1.00 0.50 O ATOM 35 CB GLU A 3 -5.150 -7.146 -3.190 1.00 0.58 C ATOM 36 CG GLU A 3 -6.401 -6.335 -2.905 1.00 0.70 C ATOM 37 CD GLU A 3 -7.656 -7.177 -2.967 1.00 1.26 C ATOM 38 OE1 GLU A 3 -7.913 -7.946 -2.024 1.00 1.35 O ATOM 39 OE2 GLU A 3 -8.397 -7.063 -3.968 1.00 1.99 O ATOM 0 H GLU A 3 -5.861 -8.022 -5.637 1.00 0.57 H new ATOM 0 HA GLU A 3 -4.223 -5.799 -4.588 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.400 -8.206 -3.143 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.420 -6.955 -2.403 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.320 -5.880 -1.918 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -6.476 -5.521 -3.626 1.00 0.70 H new ATOM 46 N TRP A 4 -2.304 -7.500 -3.800 1.00 0.36 N ATOM 47 CA TRP A 4 -1.077 -8.278 -3.769 1.00 0.38 C ATOM 48 C TRP A 4 -0.798 -8.721 -2.340 1.00 0.34 C ATOM 49 O TRP A 4 -1.293 -8.108 -1.391 1.00 0.34 O ATOM 50 CB TRP A 4 0.107 -7.449 -4.281 1.00 0.45 C ATOM 51 CG TRP A 4 -0.016 -7.013 -5.711 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.410 -7.695 -6.816 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.592 -5.792 -6.192 1.00 0.51 C ATOM 54 NE1 TRP A 4 0.137 -6.971 -7.951 1.00 1.17 N ATOM 55 CE2 TRP A 4 -0.477 -5.801 -7.593 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.191 -4.691 -5.571 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -0.944 -4.754 -8.385 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.654 -3.653 -6.359 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.526 -3.690 -7.750 1.00 0.65 C ATOM 0 H TRP A 4 -2.362 -6.787 -3.073 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.200 -9.147 -4.415 1.00 0.38 H new ATOM 0 HB2 TRP A 4 0.215 -6.565 -3.652 1.00 0.45 H new ATOM 0 HB3 TRP A 4 1.020 -8.034 -4.169 1.00 0.45 H new ATOM 0 HD1 TRP A 4 0.891 -8.662 -6.799 1.00 1.00 H new ATOM 0 HE1 TRP A 4 0.356 -7.258 -8.905 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.290 -4.652 -4.496 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -0.850 -4.781 -9.461 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.122 -2.800 -5.891 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -1.894 -2.861 -8.337 1.00 0.65 H new ATOM 70 N THR A 5 -0.019 -9.780 -2.180 1.00 0.37 N ATOM 71 CA THR A 5 0.412 -10.205 -0.859 1.00 0.39 C ATOM 72 C THR A 5 1.782 -9.593 -0.564 1.00 0.35 C ATOM 73 O THR A 5 2.813 -10.010 -1.100 1.00 0.44 O ATOM 74 CB THR A 5 0.431 -11.751 -0.720 1.00 0.55 C ATOM 75 OG1 THR A 5 0.876 -12.131 0.590 1.00 1.13 O ATOM 76 CG2 THR A 5 1.316 -12.407 -1.767 1.00 1.11 C ATOM 0 H THR A 5 0.326 -10.358 -2.946 1.00 0.37 H new ATOM 0 HA THR A 5 -0.307 -9.848 -0.122 1.00 0.39 H new ATOM 0 HB THR A 5 -0.590 -12.098 -0.876 1.00 0.55 H new ATOM 0 HG1 THR A 5 0.881 -13.108 0.663 1.00 1.13 H new ATOM 0 HG21 THR A 5 1.299 -13.488 -1.632 1.00 1.11 H new ATOM 0 HG22 THR A 5 0.946 -12.160 -2.762 1.00 1.11 H new ATOM 0 HG23 THR A 5 2.338 -12.044 -1.659 1.00 1.11 H new ATOM 84 N LEU A 6 1.773 -8.568 0.268 1.00 0.30 N ATOM 85 CA LEU A 6 2.948 -7.742 0.472 1.00 0.34 C ATOM 86 C LEU A 6 3.745 -8.175 1.690 1.00 0.42 C ATOM 87 O LEU A 6 3.219 -8.798 2.612 1.00 0.75 O ATOM 88 CB LEU A 6 2.531 -6.282 0.625 1.00 0.42 C ATOM 89 CG LEU A 6 1.703 -5.723 -0.531 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.245 -4.310 -0.216 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.507 -5.751 -1.820 1.00 0.53 C ATOM 0 H LEU A 6 0.960 -8.287 0.816 1.00 0.30 H new ATOM 0 HA LEU A 6 3.589 -7.859 -0.402 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.958 -6.178 1.546 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.428 -5.673 0.737 1.00 0.42 H new ATOM 0 HG LEU A 6 0.821 -6.349 -0.664 1.00 0.47 H new ATOM 0 HD11 LEU A 6 0.656 -3.924 -1.048 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.635 -4.318 0.687 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.115 -3.672 -0.060 1.00 0.66 H new ATOM 0 HD21 LEU A 6 1.903 -5.350 -2.634 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.405 -5.145 -1.702 1.00 0.53 H new ATOM 0 HD23 LEU A 6 2.790 -6.778 -2.050 1.00 0.53 H new ATOM 103 N ASP A 7 5.025 -7.843 1.670 1.00 0.38 N ATOM 104 CA ASP A 7 5.905 -8.041 2.809 1.00 0.44 C ATOM 105 C ASP A 7 6.828 -6.847 2.928 1.00 0.39 C ATOM 106 O ASP A 7 7.723 -6.653 2.105 1.00 0.46 O ATOM 107 CB ASP A 7 6.726 -9.322 2.671 1.00 0.58 C ATOM 108 CG ASP A 7 7.669 -9.518 3.841 1.00 1.30 C ATOM 109 OD1 ASP A 7 7.206 -9.912 4.930 1.00 1.67 O ATOM 110 OD2 ASP A 7 8.884 -9.278 3.673 1.00 2.12 O ATOM 0 H ASP A 7 5.485 -7.427 0.860 1.00 0.38 H new ATOM 0 HA ASP A 7 5.294 -8.139 3.707 1.00 0.44 H new ATOM 0 HB2 ASP A 7 6.054 -10.178 2.599 1.00 0.58 H new ATOM 0 HB3 ASP A 7 7.299 -9.288 1.745 1.00 0.58 H new ATOM 115 N ILE A 8 6.581 -6.031 3.933 1.00 0.35 N ATOM 116 CA ILE A 8 7.307 -4.791 4.108 1.00 0.32 C ATOM 117 C ILE A 8 8.014 -4.777 5.456 1.00 0.30 C ATOM 118 O ILE A 8 7.391 -5.007 6.492 1.00 0.35 O ATOM 119 CB ILE A 8 6.340 -3.594 3.995 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.723 -3.565 2.593 1.00 0.52 C ATOM 121 CG2 ILE A 8 7.050 -2.282 4.301 1.00 0.44 C ATOM 122 CD1 ILE A 8 4.705 -2.468 2.392 1.00 0.91 C ATOM 0 H ILE A 8 5.875 -6.208 4.648 1.00 0.35 H new ATOM 0 HA ILE A 8 8.060 -4.710 3.324 1.00 0.32 H new ATOM 0 HB ILE A 8 5.546 -3.714 4.732 1.00 0.37 H new ATOM 0 HG12 ILE A 8 6.520 -3.446 1.859 1.00 0.52 H new ATOM 0 HG13 ILE A 8 5.249 -4.527 2.396 1.00 0.52 H new ATOM 0 HG21 ILE A 8 6.343 -1.457 4.213 1.00 0.44 H new ATOM 0 HG22 ILE A 8 7.449 -2.312 5.315 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.867 -2.137 3.594 1.00 0.44 H new ATOM 0 HD11 ILE A 8 4.315 -2.515 1.375 1.00 0.91 H new ATOM 0 HD12 ILE A 8 3.887 -2.597 3.100 1.00 0.91 H new ATOM 0 HD13 ILE A 8 5.177 -1.499 2.555 1.00 0.91 H new ATOM 134 N PRO A 9 9.341 -4.559 5.440 1.00 0.26 N ATOM 135 CA PRO A 9 10.167 -4.490 6.652 1.00 0.26 C ATOM 136 C PRO A 9 9.698 -3.432 7.652 1.00 0.27 C ATOM 137 O PRO A 9 8.959 -2.504 7.308 1.00 0.32 O ATOM 138 CB PRO A 9 11.553 -4.123 6.116 1.00 0.29 C ATOM 139 CG PRO A 9 11.554 -4.599 4.711 1.00 0.35 C ATOM 140 CD PRO A 9 10.153 -4.399 4.220 1.00 0.29 C ATOM 0 HA PRO A 9 10.128 -5.428 7.205 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.726 -3.048 6.170 1.00 0.29 H new ATOM 0 HB3 PRO A 9 12.341 -4.602 6.697 1.00 0.29 H new ATOM 0 HG2 PRO A 9 12.266 -4.037 4.107 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.845 -5.648 4.652 1.00 0.35 H new ATOM 0 HD2 PRO A 9 10.020 -3.413 3.774 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.885 -5.132 3.459 1.00 0.29 H new ATOM 148 N ALA A 10 10.170 -3.566 8.881 1.00 0.30 N ATOM 149 CA ALA A 10 9.801 -2.662 9.964 1.00 0.33 C ATOM 150 C ALA A 10 11.042 -1.946 10.464 1.00 0.35 C ATOM 151 O ALA A 10 11.130 -1.522 11.618 1.00 0.43 O ATOM 152 CB ALA A 10 9.123 -3.430 11.088 1.00 0.41 C ATOM 0 H ALA A 10 10.819 -4.303 9.158 1.00 0.30 H new ATOM 0 HA ALA A 10 9.092 -1.921 9.594 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.854 -2.741 11.889 1.00 0.41 H new ATOM 0 HB2 ALA A 10 8.223 -3.913 10.707 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.805 -4.187 11.475 1.00 0.41 H new ATOM 158 N GLN A 11 11.997 -1.844 9.563 1.00 0.34 N ATOM 159 CA GLN A 11 13.263 -1.194 9.820 1.00 0.40 C ATOM 160 C GLN A 11 13.278 0.168 9.143 1.00 0.35 C ATOM 161 O GLN A 11 12.235 0.807 9.010 1.00 0.37 O ATOM 162 CB GLN A 11 14.398 -2.072 9.284 1.00 0.53 C ATOM 163 CG GLN A 11 14.258 -2.398 7.804 1.00 0.96 C ATOM 164 CD GLN A 11 15.319 -3.352 7.302 1.00 0.90 C ATOM 165 OE1 GLN A 11 16.388 -2.934 6.850 1.00 1.61 O ATOM 166 NE2 GLN A 11 15.029 -4.639 7.374 1.00 0.90 N ATOM 0 H GLN A 11 11.913 -2.217 8.617 1.00 0.34 H new ATOM 0 HA GLN A 11 13.400 -1.054 10.892 1.00 0.40 H new ATOM 0 HB2 GLN A 11 15.349 -1.566 9.449 1.00 0.53 H new ATOM 0 HB3 GLN A 11 14.429 -3.001 9.853 1.00 0.53 H new ATOM 0 HG2 GLN A 11 13.274 -2.832 7.625 1.00 0.96 H new ATOM 0 HG3 GLN A 11 14.308 -1.474 7.228 1.00 0.96 H new ATOM 0 HE21 GLN A 11 14.132 -4.939 7.756 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.702 -5.332 7.048 1.00 0.90 H new ATOM 175 N SER A 12 14.453 0.610 8.728 1.00 0.38 N ATOM 176 CA SER A 12 14.585 1.848 7.989 1.00 0.40 C ATOM 177 C SER A 12 13.699 1.833 6.733 1.00 0.36 C ATOM 178 O SER A 12 13.715 0.883 5.936 1.00 0.34 O ATOM 179 CB SER A 12 16.055 2.083 7.642 1.00 0.50 C ATOM 180 OG SER A 12 16.656 0.905 7.133 1.00 1.30 O ATOM 0 H SER A 12 15.334 0.123 8.893 1.00 0.38 H new ATOM 0 HA SER A 12 14.243 2.676 8.610 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.134 2.882 6.905 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.593 2.414 8.530 1.00 0.50 H new ATOM 0 HG SER A 12 16.734 0.972 6.158 1.00 1.30 H new ATOM 186 N MET A 13 12.908 2.896 6.601 1.00 0.42 N ATOM 187 CA MET A 13 11.900 3.036 5.551 1.00 0.46 C ATOM 188 C MET A 13 12.463 2.797 4.144 1.00 0.42 C ATOM 189 O MET A 13 11.740 2.341 3.257 1.00 0.45 O ATOM 190 CB MET A 13 11.271 4.429 5.644 1.00 0.61 C ATOM 191 CG MET A 13 10.072 4.636 4.734 1.00 0.68 C ATOM 192 SD MET A 13 9.373 6.293 4.884 1.00 1.29 S ATOM 193 CE MET A 13 8.951 6.327 6.625 1.00 1.00 C ATOM 0 H MET A 13 12.950 3.697 7.231 1.00 0.42 H new ATOM 0 HA MET A 13 11.145 2.266 5.713 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.965 4.609 6.675 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.029 5.174 5.402 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.370 4.462 3.700 1.00 0.68 H new ATOM 0 HG3 MET A 13 9.306 3.898 4.973 1.00 0.68 H new ATOM 0 HE1 MET A 13 8.321 7.192 6.830 1.00 1.00 H new ATOM 0 HE2 MET A 13 8.413 5.416 6.887 1.00 1.00 H new ATOM 0 HE3 MET A 13 9.862 6.393 7.219 1.00 1.00 H new ATOM 203 N ASN A 14 13.746 3.104 3.942 1.00 0.41 N ATOM 204 CA ASN A 14 14.390 2.925 2.637 1.00 0.45 C ATOM 205 C ASN A 14 14.310 1.475 2.168 1.00 0.41 C ATOM 206 O ASN A 14 14.102 1.215 0.981 1.00 0.47 O ATOM 207 CB ASN A 14 15.860 3.379 2.658 1.00 0.52 C ATOM 208 CG ASN A 14 16.710 2.636 3.674 1.00 1.32 C ATOM 209 OD1 ASN A 14 16.241 2.279 4.746 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.959 2.379 3.330 1.00 1.85 N ATOM 0 H ASN A 14 14.361 3.478 4.665 1.00 0.41 H new ATOM 0 HA ASN A 14 13.843 3.553 1.934 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.289 3.239 1.666 1.00 0.52 H new ATOM 0 HB3 ASN A 14 15.899 4.446 2.875 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.568 1.866 3.967 1.00 1.85 H new ATOM 0 HD22 ASN A 14 18.314 2.693 2.427 1.00 1.85 H new ATOM 217 N SER A 15 14.452 0.536 3.101 1.00 0.36 N ATOM 218 CA SER A 15 14.418 -0.881 2.770 1.00 0.36 C ATOM 219 C SER A 15 12.985 -1.313 2.505 1.00 0.32 C ATOM 220 O SER A 15 12.708 -2.097 1.596 1.00 0.32 O ATOM 221 CB SER A 15 15.004 -1.707 3.920 1.00 0.38 C ATOM 222 OG SER A 15 16.229 -1.153 4.379 1.00 1.20 O ATOM 0 H SER A 15 14.592 0.734 4.092 1.00 0.36 H new ATOM 0 HA SER A 15 15.016 -1.048 1.875 1.00 0.36 H new ATOM 0 HB2 SER A 15 14.290 -1.748 4.742 1.00 0.38 H new ATOM 0 HB3 SER A 15 15.167 -2.732 3.588 1.00 0.38 H new ATOM 0 HG SER A 15 16.495 -1.594 5.213 1.00 1.20 H new ATOM 228 N ALA A 16 12.075 -0.775 3.306 1.00 0.31 N ATOM 229 CA ALA A 16 10.662 -1.094 3.192 1.00 0.32 C ATOM 230 C ALA A 16 10.099 -0.686 1.839 1.00 0.30 C ATOM 231 O ALA A 16 9.353 -1.439 1.212 1.00 0.29 O ATOM 232 CB ALA A 16 9.891 -0.411 4.299 1.00 0.38 C ATOM 0 H ALA A 16 12.295 -0.110 4.047 1.00 0.31 H new ATOM 0 HA ALA A 16 10.556 -2.175 3.283 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.832 -0.654 4.208 1.00 0.38 H new ATOM 0 HB2 ALA A 16 10.261 -0.754 5.265 1.00 0.38 H new ATOM 0 HB3 ALA A 16 10.024 0.668 4.222 1.00 0.38 H new ATOM 238 N LEU A 17 10.463 0.507 1.390 1.00 0.31 N ATOM 239 CA LEU A 17 9.977 1.018 0.118 1.00 0.33 C ATOM 240 C LEU A 17 10.493 0.170 -1.041 1.00 0.32 C ATOM 241 O LEU A 17 9.762 -0.108 -1.985 1.00 0.35 O ATOM 242 CB LEU A 17 10.379 2.483 -0.056 1.00 0.38 C ATOM 243 CG LEU A 17 9.770 3.440 0.973 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.268 4.860 0.749 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.250 3.392 0.910 1.00 0.73 C ATOM 0 H LEU A 17 11.092 1.137 1.887 1.00 0.31 H new ATOM 0 HA LEU A 17 8.889 0.959 0.117 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.465 2.556 -0.002 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.086 2.810 -1.054 1.00 0.38 H new ATOM 0 HG LEU A 17 10.086 3.120 1.966 1.00 0.46 H new ATOM 0 HD11 LEU A 17 9.823 5.523 1.491 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.353 4.884 0.845 1.00 0.92 H new ATOM 0 HD13 LEU A 17 9.985 5.191 -0.250 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.833 4.078 1.648 1.00 0.73 H new ATOM 0 HD22 LEU A 17 7.918 3.685 -0.086 1.00 0.73 H new ATOM 0 HD23 LEU A 17 7.909 2.379 1.123 1.00 0.73 H new ATOM 257 N GLN A 18 11.744 -0.263 -0.951 1.00 0.34 N ATOM 258 CA GLN A 18 12.320 -1.128 -1.974 1.00 0.39 C ATOM 259 C GLN A 18 11.578 -2.461 -2.025 1.00 0.33 C ATOM 260 O GLN A 18 11.348 -3.020 -3.100 1.00 0.34 O ATOM 261 CB GLN A 18 13.806 -1.365 -1.701 1.00 0.49 C ATOM 262 CG GLN A 18 14.509 -2.134 -2.809 1.00 1.07 C ATOM 263 CD GLN A 18 15.961 -2.431 -2.490 1.00 1.51 C ATOM 264 OE1 GLN A 18 16.332 -2.609 -1.328 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.794 -2.474 -3.519 1.00 2.19 N ATOM 0 H GLN A 18 12.377 -0.031 -0.185 1.00 0.34 H new ATOM 0 HA GLN A 18 12.217 -0.632 -2.939 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.301 -0.403 -1.566 1.00 0.49 H new ATOM 0 HB3 GLN A 18 13.913 -1.913 -0.765 1.00 0.49 H new ATOM 0 HG2 GLN A 18 13.982 -3.072 -2.985 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.455 -1.560 -3.734 1.00 1.07 H new ATOM 0 HE21 GLN A 18 16.444 -2.321 -4.465 1.00 2.19 H new ATOM 0 HE22 GLN A 18 17.785 -2.660 -3.365 1.00 2.19 H new ATOM 274 N ALA A 19 11.187 -2.957 -0.858 1.00 0.29 N ATOM 275 CA ALA A 19 10.462 -4.216 -0.769 1.00 0.28 C ATOM 276 C ALA A 19 9.072 -4.088 -1.380 1.00 0.26 C ATOM 277 O ALA A 19 8.626 -4.968 -2.116 1.00 0.28 O ATOM 278 CB ALA A 19 10.372 -4.677 0.677 1.00 0.31 C ATOM 0 H ALA A 19 11.360 -2.506 0.040 1.00 0.29 H new ATOM 0 HA ALA A 19 11.012 -4.966 -1.337 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.827 -5.620 0.725 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.376 -4.818 1.077 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.848 -3.925 1.267 1.00 0.31 H new ATOM 284 N LEU A 20 8.398 -2.978 -1.093 1.00 0.27 N ATOM 285 CA LEU A 20 7.053 -2.742 -1.611 1.00 0.32 C ATOM 286 C LEU A 20 7.099 -2.603 -3.128 1.00 0.33 C ATOM 287 O LEU A 20 6.202 -3.066 -3.839 1.00 0.36 O ATOM 288 CB LEU A 20 6.452 -1.480 -0.982 1.00 0.38 C ATOM 289 CG LEU A 20 5.070 -1.075 -1.505 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.051 -2.170 -1.234 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.628 0.236 -0.868 1.00 0.95 C ATOM 0 H LEU A 20 8.761 -2.228 -0.505 1.00 0.27 H new ATOM 0 HA LEU A 20 6.422 -3.592 -1.351 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.384 -1.630 0.096 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.140 -0.651 -1.146 1.00 0.38 H new ATOM 0 HG LEU A 20 5.137 -0.932 -2.584 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.077 -1.862 -1.613 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.361 -3.088 -1.734 1.00 1.03 H new ATOM 0 HD13 LEU A 20 3.983 -2.346 -0.161 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.645 0.512 -1.248 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.578 0.116 0.214 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.345 1.020 -1.113 1.00 0.95 H new ATOM 303 N ALA A 21 8.170 -1.981 -3.607 1.00 0.33 N ATOM 304 CA ALA A 21 8.350 -1.736 -5.027 1.00 0.39 C ATOM 305 C ALA A 21 8.445 -3.051 -5.783 1.00 0.38 C ATOM 306 O ALA A 21 7.683 -3.306 -6.713 1.00 0.44 O ATOM 307 CB ALA A 21 9.597 -0.900 -5.262 1.00 0.44 C ATOM 0 H ALA A 21 8.932 -1.635 -3.024 1.00 0.33 H new ATOM 0 HA ALA A 21 7.486 -1.185 -5.398 1.00 0.39 H new ATOM 0 HB1 ALA A 21 9.721 -0.723 -6.330 1.00 0.44 H new ATOM 0 HB2 ALA A 21 9.498 0.055 -4.746 1.00 0.44 H new ATOM 0 HB3 ALA A 21 10.468 -1.431 -4.879 1.00 0.44 H new ATOM 313 N LYS A 22 9.379 -3.892 -5.357 1.00 0.36 N ATOM 314 CA LYS A 22 9.621 -5.169 -6.011 1.00 0.42 C ATOM 315 C LYS A 22 8.415 -6.097 -5.884 1.00 0.37 C ATOM 316 O LYS A 22 8.119 -6.868 -6.797 1.00 0.47 O ATOM 317 CB LYS A 22 10.872 -5.835 -5.427 1.00 0.53 C ATOM 318 CG LYS A 22 11.228 -7.155 -6.097 1.00 1.22 C ATOM 319 CD LYS A 22 12.593 -7.664 -5.663 1.00 1.84 C ATOM 320 CE LYS A 22 13.711 -6.723 -6.090 1.00 2.65 C ATOM 321 NZ LYS A 22 13.703 -6.463 -7.555 1.00 3.41 N ATOM 0 H LYS A 22 9.984 -3.710 -4.556 1.00 0.36 H new ATOM 0 HA LYS A 22 9.784 -4.978 -7.072 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.715 -5.151 -5.520 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.718 -6.008 -4.362 1.00 0.53 H new ATOM 0 HG2 LYS A 22 10.470 -7.900 -5.856 1.00 1.22 H new ATOM 0 HG3 LYS A 22 11.216 -7.027 -7.179 1.00 1.22 H new ATOM 0 HD2 LYS A 22 12.610 -7.780 -4.579 1.00 1.84 H new ATOM 0 HD3 LYS A 22 12.766 -8.651 -6.092 1.00 1.84 H new ATOM 0 HE2 LYS A 22 13.612 -5.778 -5.555 1.00 2.65 H new ATOM 0 HE3 LYS A 22 14.672 -7.151 -5.805 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 14.602 -6.021 -7.834 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 13.585 -7.361 -8.066 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 12.916 -5.825 -7.790 1.00 3.41 H new ATOM 335 N GLN A 23 7.716 -6.008 -4.757 1.00 0.33 N ATOM 336 CA GLN A 23 6.565 -6.866 -4.496 1.00 0.39 C ATOM 337 C GLN A 23 5.415 -6.580 -5.460 1.00 0.40 C ATOM 338 O GLN A 23 4.602 -7.461 -5.742 1.00 0.49 O ATOM 339 CB GLN A 23 6.081 -6.702 -3.052 1.00 0.52 C ATOM 340 CG GLN A 23 6.367 -7.913 -2.177 1.00 0.76 C ATOM 341 CD GLN A 23 7.848 -8.202 -2.028 1.00 0.78 C ATOM 342 OE1 GLN A 23 8.436 -8.917 -2.834 1.00 1.52 O ATOM 343 NE2 GLN A 23 8.454 -7.662 -0.983 1.00 1.29 N ATOM 0 H GLN A 23 7.927 -5.349 -4.008 1.00 0.33 H new ATOM 0 HA GLN A 23 6.891 -7.894 -4.651 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.559 -5.826 -2.614 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.008 -6.511 -3.056 1.00 0.52 H new ATOM 0 HG2 GLN A 23 5.933 -7.751 -1.190 1.00 0.76 H new ATOM 0 HG3 GLN A 23 5.873 -8.786 -2.603 1.00 0.76 H new ATOM 0 HE21 GLN A 23 7.928 -7.073 -0.337 1.00 1.29 H new ATOM 0 HE22 GLN A 23 9.447 -7.834 -0.824 1.00 1.29 H new ATOM 352 N THR A 24 5.347 -5.357 -5.972 1.00 0.38 N ATOM 353 CA THR A 24 4.258 -4.972 -6.862 1.00 0.47 C ATOM 354 C THR A 24 4.762 -4.651 -8.267 1.00 0.48 C ATOM 355 O THR A 24 3.980 -4.287 -9.147 1.00 0.76 O ATOM 356 CB THR A 24 3.496 -3.756 -6.306 1.00 0.54 C ATOM 357 OG1 THR A 24 4.424 -2.728 -5.933 1.00 0.62 O ATOM 358 CG2 THR A 24 2.649 -4.144 -5.104 1.00 0.62 C ATOM 0 H THR A 24 6.027 -4.620 -5.788 1.00 0.38 H new ATOM 0 HA THR A 24 3.583 -5.826 -6.922 1.00 0.47 H new ATOM 0 HB THR A 24 2.833 -3.384 -7.087 1.00 0.54 H new ATOM 0 HG1 THR A 24 4.919 -3.008 -5.135 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.122 -3.266 -4.732 1.00 0.62 H new ATOM 0 HG22 THR A 24 1.925 -4.904 -5.399 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.292 -4.541 -4.319 1.00 0.62 H new ATOM 366 N ASP A 25 6.074 -4.803 -8.461 1.00 0.41 N ATOM 367 CA ASP A 25 6.733 -4.490 -9.734 1.00 0.49 C ATOM 368 C ASP A 25 6.518 -3.029 -10.108 1.00 0.49 C ATOM 369 O ASP A 25 6.302 -2.696 -11.275 1.00 0.72 O ATOM 370 CB ASP A 25 6.233 -5.399 -10.864 1.00 0.68 C ATOM 371 CG ASP A 25 6.670 -6.836 -10.694 1.00 1.29 C ATOM 372 OD1 ASP A 25 7.854 -7.136 -10.964 1.00 1.57 O ATOM 373 OD2 ASP A 25 5.834 -7.677 -10.302 1.00 2.11 O ATOM 0 H ASP A 25 6.710 -5.146 -7.741 1.00 0.41 H new ATOM 0 HA ASP A 25 7.800 -4.668 -9.601 1.00 0.49 H new ATOM 0 HB2 ASP A 25 5.145 -5.357 -10.904 1.00 0.68 H new ATOM 0 HB3 ASP A 25 6.602 -5.022 -11.818 1.00 0.68 H new ATOM 378 N THR A 26 6.574 -2.163 -9.112 1.00 0.34 N ATOM 379 CA THR A 26 6.351 -0.744 -9.317 1.00 0.40 C ATOM 380 C THR A 26 7.635 0.046 -9.093 1.00 0.38 C ATOM 381 O THR A 26 8.617 -0.477 -8.556 1.00 0.40 O ATOM 382 CB THR A 26 5.256 -0.218 -8.367 1.00 0.46 C ATOM 383 OG1 THR A 26 5.572 -0.570 -7.013 1.00 0.76 O ATOM 384 CG2 THR A 26 3.892 -0.782 -8.746 1.00 0.72 C ATOM 0 H THR A 26 6.774 -2.421 -8.146 1.00 0.34 H new ATOM 0 HA THR A 26 6.025 -0.609 -10.348 1.00 0.40 H new ATOM 0 HB THR A 26 5.216 0.868 -8.457 1.00 0.46 H new ATOM 0 HG1 THR A 26 4.995 -1.308 -6.724 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.136 -0.397 -8.062 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.645 -0.483 -9.765 1.00 0.72 H new ATOM 0 HG23 THR A 26 3.918 -1.870 -8.683 1.00 0.72 H new ATOM 392 N GLN A 27 7.632 1.299 -9.518 1.00 0.41 N ATOM 393 CA GLN A 27 8.765 2.178 -9.290 1.00 0.44 C ATOM 394 C GLN A 27 8.454 3.150 -8.169 1.00 0.46 C ATOM 395 O GLN A 27 7.516 3.937 -8.264 1.00 0.47 O ATOM 396 CB GLN A 27 9.143 2.958 -10.550 1.00 0.50 C ATOM 397 CG GLN A 27 9.692 2.098 -11.673 1.00 1.05 C ATOM 398 CD GLN A 27 10.475 2.906 -12.691 1.00 1.67 C ATOM 399 OE1 GLN A 27 10.485 2.584 -13.878 1.00 2.39 O ATOM 400 NE2 GLN A 27 11.167 3.938 -12.231 1.00 2.31 N ATOM 0 H GLN A 27 6.857 1.729 -10.023 1.00 0.41 H new ATOM 0 HA GLN A 27 9.613 1.551 -9.013 1.00 0.44 H new ATOM 0 HB2 GLN A 27 8.263 3.490 -10.912 1.00 0.50 H new ATOM 0 HB3 GLN A 27 9.886 3.711 -10.288 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.336 1.325 -11.253 1.00 1.05 H new ATOM 0 HG3 GLN A 27 8.868 1.589 -12.173 1.00 1.05 H new ATOM 0 HE21 GLN A 27 11.133 4.174 -11.239 1.00 2.31 H new ATOM 0 HE22 GLN A 27 11.734 4.497 -12.869 1.00 2.31 H new ATOM 409 N LEU A 28 9.242 3.095 -7.114 1.00 0.51 N ATOM 410 CA LEU A 28 9.075 4.006 -5.999 1.00 0.55 C ATOM 411 C LEU A 28 10.267 4.941 -5.942 1.00 0.58 C ATOM 412 O LEU A 28 11.400 4.506 -5.728 1.00 0.71 O ATOM 413 CB LEU A 28 8.922 3.246 -4.678 1.00 0.69 C ATOM 414 CG LEU A 28 7.697 2.333 -4.586 1.00 0.78 C ATOM 415 CD1 LEU A 28 7.603 1.707 -3.208 1.00 1.51 C ATOM 416 CD2 LEU A 28 6.424 3.102 -4.899 1.00 1.30 C ATOM 0 H LEU A 28 10.006 2.428 -7.005 1.00 0.51 H new ATOM 0 HA LEU A 28 8.163 4.584 -6.148 1.00 0.55 H new ATOM 0 HB2 LEU A 28 9.816 2.643 -4.519 1.00 0.69 H new ATOM 0 HB3 LEU A 28 8.877 3.970 -3.865 1.00 0.69 H new ATOM 0 HG LEU A 28 7.811 1.540 -5.325 1.00 0.78 H new ATOM 0 HD11 LEU A 28 6.726 1.061 -3.161 1.00 1.51 H new ATOM 0 HD12 LEU A 28 8.499 1.117 -3.014 1.00 1.51 H new ATOM 0 HD13 LEU A 28 7.516 2.492 -2.457 1.00 1.51 H new ATOM 0 HD21 LEU A 28 5.567 2.432 -4.827 1.00 1.30 H new ATOM 0 HD22 LEU A 28 6.307 3.918 -4.186 1.00 1.30 H new ATOM 0 HD23 LEU A 28 6.483 3.508 -5.909 1.00 1.30 H new ATOM 428 N LEU A 29 10.010 6.217 -6.158 1.00 0.53 N ATOM 429 CA LEU A 29 11.067 7.212 -6.210 1.00 0.60 C ATOM 430 C LEU A 29 11.114 7.999 -4.911 1.00 0.63 C ATOM 431 O LEU A 29 10.123 8.613 -4.515 1.00 0.66 O ATOM 432 CB LEU A 29 10.826 8.147 -7.396 1.00 0.65 C ATOM 433 CG LEU A 29 10.822 7.457 -8.763 1.00 1.17 C ATOM 434 CD1 LEU A 29 10.386 8.418 -9.857 1.00 1.90 C ATOM 435 CD2 LEU A 29 12.200 6.890 -9.072 1.00 2.03 C ATOM 0 H LEU A 29 9.072 6.592 -6.301 1.00 0.53 H new ATOM 0 HA LEU A 29 12.027 6.713 -6.339 1.00 0.60 H new ATOM 0 HB2 LEU A 29 9.870 8.651 -7.256 1.00 0.65 H new ATOM 0 HB3 LEU A 29 11.596 8.918 -7.396 1.00 0.65 H new ATOM 0 HG LEU A 29 10.105 6.637 -8.728 1.00 1.17 H new ATOM 0 HD11 LEU A 29 10.392 7.903 -10.818 1.00 1.90 H new ATOM 0 HD12 LEU A 29 9.379 8.778 -9.645 1.00 1.90 H new ATOM 0 HD13 LEU A 29 11.074 9.263 -9.894 1.00 1.90 H new ATOM 0 HD21 LEU A 29 12.183 6.402 -10.047 1.00 2.03 H new ATOM 0 HD22 LEU A 29 12.932 7.698 -9.083 1.00 2.03 H new ATOM 0 HD23 LEU A 29 12.474 6.163 -8.307 1.00 2.03 H new ATOM 447 N TYR A 30 12.263 7.970 -4.248 1.00 0.65 N ATOM 448 CA TYR A 30 12.413 8.607 -2.948 1.00 0.72 C ATOM 449 C TYR A 30 13.879 8.914 -2.658 1.00 0.77 C ATOM 450 O TYR A 30 14.780 8.284 -3.211 1.00 0.82 O ATOM 451 CB TYR A 30 11.832 7.708 -1.845 1.00 0.72 C ATOM 452 CG TYR A 30 12.460 6.327 -1.762 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.005 5.287 -2.565 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.500 6.061 -0.877 1.00 0.80 C ATOM 455 CE1 TYR A 30 12.566 4.026 -2.492 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.067 4.801 -0.799 1.00 0.88 C ATOM 457 CZ TYR A 30 13.596 3.789 -1.607 1.00 0.83 C ATOM 458 OH TYR A 30 14.156 2.533 -1.535 1.00 0.96 O ATOM 0 H TYR A 30 13.106 7.510 -4.591 1.00 0.65 H new ATOM 0 HA TYR A 30 11.863 9.548 -2.965 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.955 8.208 -0.884 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.761 7.597 -2.011 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.198 5.468 -3.259 1.00 0.65 H new ATOM 0 HD2 TYR A 30 13.871 6.851 -0.240 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.200 3.231 -3.125 1.00 0.71 H new ATOM 0 HE2 TYR A 30 14.875 4.612 -0.108 1.00 0.88 H new ATOM 0 HH TYR A 30 14.074 2.190 -0.620 1.00 0.96 H new ATOM 468 N SER A 31 14.107 9.899 -1.804 1.00 0.85 N ATOM 469 CA SER A 31 15.450 10.273 -1.402 1.00 0.97 C ATOM 470 C SER A 31 15.730 9.750 0.010 1.00 0.88 C ATOM 471 O SER A 31 15.005 10.061 0.956 1.00 0.85 O ATOM 472 CB SER A 31 15.593 11.796 -1.460 1.00 1.20 C ATOM 473 OG SER A 31 16.910 12.211 -1.139 1.00 1.78 O ATOM 0 H SER A 31 13.370 10.458 -1.373 1.00 0.85 H new ATOM 0 HA SER A 31 16.178 9.830 -2.082 1.00 0.97 H new ATOM 0 HB2 SER A 31 15.334 12.148 -2.458 1.00 1.20 H new ATOM 0 HB3 SER A 31 14.888 12.255 -0.767 1.00 1.20 H new ATOM 0 HG SER A 31 16.882 12.826 -0.377 1.00 1.78 H new ATOM 479 N PRO A 32 16.793 8.935 0.151 1.00 0.96 N ATOM 480 CA PRO A 32 17.120 8.233 1.404 1.00 0.99 C ATOM 481 C PRO A 32 17.371 9.173 2.584 1.00 1.01 C ATOM 482 O PRO A 32 17.017 8.861 3.719 1.00 1.05 O ATOM 483 CB PRO A 32 18.397 7.453 1.066 1.00 1.23 C ATOM 484 CG PRO A 32 18.950 8.121 -0.147 1.00 1.37 C ATOM 485 CD PRO A 32 17.762 8.625 -0.913 1.00 1.12 C ATOM 0 HA PRO A 32 16.288 7.607 1.726 1.00 0.99 H new ATOM 0 HB2 PRO A 32 19.108 7.484 1.892 1.00 1.23 H new ATOM 0 HB3 PRO A 32 18.178 6.403 0.873 1.00 1.23 H new ATOM 0 HG2 PRO A 32 19.615 8.940 0.127 1.00 1.37 H new ATOM 0 HG3 PRO A 32 19.534 7.423 -0.746 1.00 1.37 H new ATOM 0 HD2 PRO A 32 18.007 9.506 -1.505 1.00 1.12 H new ATOM 0 HD3 PRO A 32 17.378 7.874 -1.603 1.00 1.12 H new ATOM 493 N GLU A 33 17.995 10.312 2.320 1.00 1.09 N ATOM 494 CA GLU A 33 18.285 11.276 3.373 1.00 1.26 C ATOM 495 C GLU A 33 17.020 12.026 3.784 1.00 1.23 C ATOM 496 O GLU A 33 16.876 12.456 4.930 1.00 1.39 O ATOM 497 CB GLU A 33 19.351 12.270 2.915 1.00 1.48 C ATOM 498 CG GLU A 33 19.754 13.255 3.997 1.00 1.99 C ATOM 499 CD GLU A 33 20.715 14.311 3.504 1.00 2.43 C ATOM 500 OE1 GLU A 33 20.248 15.366 3.028 1.00 2.83 O ATOM 501 OE2 GLU A 33 21.939 14.086 3.580 1.00 2.96 O ATOM 0 H GLU A 33 18.309 10.591 1.391 1.00 1.09 H new ATOM 0 HA GLU A 33 18.662 10.727 4.235 1.00 1.26 H new ATOM 0 HB2 GLU A 33 20.233 11.721 2.586 1.00 1.48 H new ATOM 0 HB3 GLU A 33 18.978 12.821 2.052 1.00 1.48 H new ATOM 0 HG2 GLU A 33 18.861 13.740 4.391 1.00 1.99 H new ATOM 0 HG3 GLU A 33 20.212 12.712 4.823 1.00 1.99 H new ATOM 508 N ASP A 34 16.087 12.142 2.851 1.00 1.12 N ATOM 509 CA ASP A 34 14.924 13.000 3.033 1.00 1.23 C ATOM 510 C ASP A 34 13.787 12.268 3.730 1.00 1.17 C ATOM 511 O ASP A 34 12.734 12.846 3.986 1.00 1.38 O ATOM 512 CB ASP A 34 14.457 13.567 1.693 1.00 1.33 C ATOM 513 CG ASP A 34 15.423 14.597 1.141 1.00 1.71 C ATOM 514 OD1 ASP A 34 16.362 14.207 0.419 1.00 2.22 O ATOM 515 OD2 ASP A 34 15.239 15.801 1.412 1.00 2.14 O ATOM 0 H ASP A 34 16.112 11.651 1.957 1.00 1.12 H new ATOM 0 HA ASP A 34 15.225 13.827 3.676 1.00 1.23 H new ATOM 0 HB2 ASP A 34 14.345 12.754 0.975 1.00 1.33 H new ATOM 0 HB3 ASP A 34 13.474 14.022 1.815 1.00 1.33 H new ATOM 520 N ILE A 35 13.996 10.999 4.042 1.00 0.97 N ATOM 521 CA ILE A 35 13.019 10.244 4.818 1.00 0.97 C ATOM 522 C ILE A 35 13.474 10.137 6.268 1.00 1.02 C ATOM 523 O ILE A 35 12.903 9.390 7.059 1.00 1.09 O ATOM 524 CB ILE A 35 12.781 8.832 4.243 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.094 8.044 4.185 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.147 8.926 2.861 1.00 0.95 C ATOM 527 CD1 ILE A 35 13.941 6.633 3.658 1.00 0.82 C ATOM 0 H ILE A 35 14.826 10.471 3.773 1.00 0.97 H new ATOM 0 HA ILE A 35 12.075 10.786 4.763 1.00 0.97 H new ATOM 0 HB ILE A 35 12.096 8.299 4.902 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.801 8.582 3.554 1.00 0.78 H new ATOM 0 HG13 ILE A 35 14.526 8.003 5.185 1.00 0.78 H new ATOM 0 HG21 ILE A 35 11.984 7.923 2.466 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.192 9.447 2.933 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.810 9.476 2.193 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.914 6.141 3.648 1.00 0.82 H new ATOM 0 HD12 ILE A 35 13.260 6.076 4.301 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.539 6.664 2.645 1.00 0.82 H new ATOM 539 N GLY A 36 14.544 10.871 6.587 1.00 1.08 N ATOM 540 CA GLY A 36 14.991 11.020 7.966 1.00 1.25 C ATOM 541 C GLY A 36 15.514 9.742 8.597 1.00 1.17 C ATOM 542 O GLY A 36 15.824 9.725 9.788 1.00 1.40 O ATOM 0 H GLY A 36 15.114 11.370 5.904 1.00 1.08 H new ATOM 0 HA2 GLY A 36 15.776 11.776 8.001 1.00 1.25 H new ATOM 0 HA3 GLY A 36 14.161 11.394 8.566 1.00 1.25 H new ATOM 546 N GLY A 37 15.627 8.677 7.811 1.00 0.97 N ATOM 547 CA GLY A 37 16.048 7.399 8.355 1.00 0.96 C ATOM 548 C GLY A 37 15.053 6.872 9.374 1.00 0.88 C ATOM 549 O GLY A 37 15.436 6.293 10.392 1.00 1.05 O ATOM 0 H GLY A 37 15.435 8.675 6.809 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.159 6.677 7.546 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.027 7.506 8.823 1.00 0.96 H new ATOM 553 N LEU A 38 13.775 7.083 9.091 1.00 0.77 N ATOM 554 CA LEU A 38 12.701 6.679 9.989 1.00 0.83 C ATOM 555 C LEU A 38 12.355 5.215 9.772 1.00 0.66 C ATOM 556 O LEU A 38 12.649 4.655 8.712 1.00 0.67 O ATOM 557 CB LEU A 38 11.460 7.538 9.729 1.00 1.06 C ATOM 558 CG LEU A 38 11.660 9.046 9.890 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.450 9.792 9.352 1.00 1.72 C ATOM 560 CD2 LEU A 38 11.903 9.403 11.351 1.00 1.20 C ATOM 0 H LEU A 38 13.454 7.537 8.236 1.00 0.77 H new ATOM 0 HA LEU A 38 13.034 6.818 11.018 1.00 0.83 H new ATOM 0 HB2 LEU A 38 11.109 7.341 8.716 1.00 1.06 H new ATOM 0 HB3 LEU A 38 10.669 7.219 10.408 1.00 1.06 H new ATOM 0 HG LEU A 38 12.538 9.344 9.318 1.00 1.05 H new ATOM 0 HD11 LEU A 38 10.602 10.865 9.471 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.319 9.559 8.295 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.560 9.488 9.903 1.00 1.72 H new ATOM 0 HD21 LEU A 38 12.043 10.480 11.444 1.00 1.20 H new ATOM 0 HD22 LEU A 38 11.045 9.096 11.948 1.00 1.20 H new ATOM 0 HD23 LEU A 38 12.796 8.889 11.707 1.00 1.20 H new ATOM 572 N ARG A 39 11.750 4.592 10.773 1.00 0.68 N ATOM 573 CA ARG A 39 11.253 3.233 10.624 1.00 0.59 C ATOM 574 C ARG A 39 9.924 3.246 9.886 1.00 0.52 C ATOM 575 O ARG A 39 9.113 4.162 10.047 1.00 0.62 O ATOM 576 CB ARG A 39 11.082 2.539 11.980 1.00 0.66 C ATOM 577 CG ARG A 39 10.092 3.235 12.900 1.00 0.76 C ATOM 578 CD ARG A 39 9.838 2.439 14.169 1.00 1.12 C ATOM 579 NE ARG A 39 8.762 3.026 14.967 1.00 2.00 N ATOM 580 CZ ARG A 39 8.488 2.685 16.226 1.00 2.70 C ATOM 581 NH1 ARG A 39 9.200 1.748 16.839 1.00 2.71 N ATOM 582 NH2 ARG A 39 7.492 3.286 16.869 1.00 3.77 N ATOM 0 H ARG A 39 11.592 5.004 11.693 1.00 0.68 H new ATOM 0 HA ARG A 39 11.990 2.672 10.050 1.00 0.59 H new ATOM 0 HB2 ARG A 39 10.752 1.513 11.815 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.051 2.486 12.476 1.00 0.66 H new ATOM 0 HG2 ARG A 39 10.472 4.222 13.161 1.00 0.76 H new ATOM 0 HG3 ARG A 39 9.150 3.386 12.372 1.00 0.76 H new ATOM 0 HD2 ARG A 39 9.581 1.412 13.910 1.00 1.12 H new ATOM 0 HD3 ARG A 39 10.751 2.398 14.763 1.00 1.12 H new ATOM 0 HE ARG A 39 8.183 3.744 14.531 1.00 2.00 H new ATOM 0 HH11 ARG A 39 9.963 1.283 16.347 1.00 2.71 H new ATOM 0 HH12 ARG A 39 8.984 1.492 17.803 1.00 2.71 H new ATOM 0 HH21 ARG A 39 6.941 4.004 16.399 1.00 3.77 H new ATOM 0 HH22 ARG A 39 7.278 3.029 17.833 1.00 3.77 H new ATOM 596 N SER A 40 9.721 2.240 9.066 1.00 0.45 N ATOM 597 CA SER A 40 8.497 2.109 8.311 1.00 0.50 C ATOM 598 C SER A 40 7.437 1.354 9.102 1.00 0.49 C ATOM 599 O SER A 40 7.750 0.580 10.009 1.00 0.48 O ATOM 600 CB SER A 40 8.791 1.379 7.008 1.00 0.56 C ATOM 601 OG SER A 40 9.628 0.257 7.245 1.00 0.50 O ATOM 0 H SER A 40 10.397 1.493 8.904 1.00 0.45 H new ATOM 0 HA SER A 40 8.109 3.106 8.101 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.858 1.053 6.548 1.00 0.56 H new ATOM 0 HB3 SER A 40 9.273 2.058 6.305 1.00 0.56 H new ATOM 0 HG SER A 40 9.095 -0.564 7.202 1.00 0.50 H new ATOM 607 N SER A 41 6.184 1.586 8.755 1.00 0.59 N ATOM 608 CA SER A 41 5.090 0.837 9.335 1.00 0.68 C ATOM 609 C SER A 41 4.845 -0.407 8.495 1.00 0.65 C ATOM 610 O SER A 41 4.250 -0.333 7.419 1.00 0.66 O ATOM 611 CB SER A 41 3.832 1.703 9.406 1.00 0.85 C ATOM 612 OG SER A 41 4.077 2.888 10.149 1.00 1.54 O ATOM 0 H SER A 41 5.901 2.289 8.073 1.00 0.59 H new ATOM 0 HA SER A 41 5.346 0.539 10.352 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.505 1.961 8.399 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.022 1.139 9.869 1.00 0.85 H new ATOM 0 HG SER A 41 3.260 3.429 10.181 1.00 1.54 H new ATOM 618 N ALA A 42 5.355 -1.532 8.983 1.00 0.69 N ATOM 619 CA ALA A 42 5.311 -2.793 8.258 1.00 0.72 C ATOM 620 C ALA A 42 3.886 -3.184 7.900 1.00 0.63 C ATOM 621 O ALA A 42 3.080 -3.500 8.775 1.00 0.66 O ATOM 622 CB ALA A 42 5.965 -3.888 9.084 1.00 0.84 C ATOM 0 H ALA A 42 5.811 -1.594 9.893 1.00 0.69 H new ATOM 0 HA ALA A 42 5.862 -2.664 7.326 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.928 -4.829 8.535 1.00 0.84 H new ATOM 0 HB2 ALA A 42 7.004 -3.623 9.282 1.00 0.84 H new ATOM 0 HB3 ALA A 42 5.433 -3.998 10.029 1.00 0.84 H new ATOM 628 N LEU A 43 3.585 -3.166 6.615 1.00 0.59 N ATOM 629 CA LEU A 43 2.281 -3.573 6.133 1.00 0.54 C ATOM 630 C LEU A 43 2.420 -4.824 5.276 1.00 0.45 C ATOM 631 O LEU A 43 2.661 -4.750 4.071 1.00 0.51 O ATOM 632 CB LEU A 43 1.623 -2.446 5.332 1.00 0.65 C ATOM 633 CG LEU A 43 0.187 -2.727 4.883 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.722 -2.928 6.085 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.323 -1.594 4.008 1.00 1.42 C ATOM 0 H LEU A 43 4.231 -2.872 5.883 1.00 0.59 H new ATOM 0 HA LEU A 43 1.643 -3.795 6.988 1.00 0.54 H new ATOM 0 HB2 LEU A 43 1.628 -1.539 5.937 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.231 -2.244 4.450 1.00 0.65 H new ATOM 0 HG LEU A 43 0.182 -3.646 4.297 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.738 -3.126 5.744 1.00 1.42 H new ATOM 0 HD12 LEU A 43 -0.365 -3.773 6.674 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.715 -2.029 6.701 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.345 -1.807 3.696 1.00 1.42 H new ATOM 0 HD22 LEU A 43 -0.303 -0.661 4.572 1.00 1.42 H new ATOM 0 HD23 LEU A 43 0.313 -1.500 3.128 1.00 1.42 H new ATOM 647 N LYS A 44 2.294 -5.973 5.913 1.00 0.43 N ATOM 648 CA LYS A 44 2.415 -7.240 5.218 1.00 0.43 C ATOM 649 C LYS A 44 1.089 -7.983 5.237 1.00 0.41 C ATOM 650 O LYS A 44 0.622 -8.437 6.283 1.00 0.50 O ATOM 651 CB LYS A 44 3.554 -8.077 5.815 1.00 0.61 C ATOM 652 CG LYS A 44 3.611 -8.068 7.335 1.00 0.88 C ATOM 653 CD LYS A 44 4.987 -8.486 7.829 1.00 1.15 C ATOM 654 CE LYS A 44 5.316 -9.919 7.449 1.00 1.77 C ATOM 655 NZ LYS A 44 6.774 -10.198 7.539 1.00 2.43 N ATOM 0 H LYS A 44 2.108 -6.055 6.912 1.00 0.43 H new ATOM 0 HA LYS A 44 2.668 -7.050 4.175 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.449 -9.107 5.474 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.503 -7.707 5.426 1.00 0.61 H new ATOM 0 HG2 LYS A 44 3.375 -7.071 7.706 1.00 0.88 H new ATOM 0 HG3 LYS A 44 2.856 -8.744 7.735 1.00 0.88 H new ATOM 0 HD2 LYS A 44 5.740 -7.818 7.412 1.00 1.15 H new ATOM 0 HD3 LYS A 44 5.031 -8.379 8.913 1.00 1.15 H new ATOM 0 HE2 LYS A 44 4.775 -10.601 8.105 1.00 1.77 H new ATOM 0 HE3 LYS A 44 4.972 -10.113 6.433 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 7.167 -10.305 6.582 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 7.249 -9.409 8.022 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 6.927 -11.075 8.076 1.00 2.43 H new ATOM 669 N GLY A 45 0.483 -8.077 4.065 1.00 0.37 N ATOM 670 CA GLY A 45 -0.836 -8.650 3.942 1.00 0.37 C ATOM 671 C GLY A 45 -1.372 -8.494 2.538 1.00 0.33 C ATOM 672 O GLY A 45 -0.607 -8.226 1.611 1.00 0.34 O ATOM 0 H GLY A 45 0.890 -7.761 3.185 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -0.802 -9.707 4.205 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.512 -8.167 4.648 1.00 0.37 H new ATOM 676 N ARG A 46 -2.678 -8.637 2.380 1.00 0.35 N ATOM 677 CA ARG A 46 -3.298 -8.545 1.069 1.00 0.36 C ATOM 678 C ARG A 46 -3.876 -7.151 0.863 1.00 0.34 C ATOM 679 O ARG A 46 -4.994 -6.860 1.290 1.00 0.48 O ATOM 680 CB ARG A 46 -4.392 -9.603 0.906 1.00 0.49 C ATOM 681 CG ARG A 46 -5.091 -9.539 -0.441 1.00 0.97 C ATOM 682 CD ARG A 46 -6.128 -10.636 -0.598 1.00 1.13 C ATOM 683 NE ARG A 46 -6.941 -10.439 -1.795 1.00 1.77 N ATOM 684 CZ ARG A 46 -7.318 -11.413 -2.619 1.00 2.26 C ATOM 685 NH1 ARG A 46 -6.960 -12.673 -2.386 1.00 2.15 N ATOM 686 NH2 ARG A 46 -8.058 -11.119 -3.683 1.00 3.27 N ATOM 0 H ARG A 46 -3.329 -8.817 3.144 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.534 -8.729 0.313 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.953 -10.593 1.034 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -5.131 -9.477 1.698 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -5.572 -8.567 -0.554 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -4.351 -9.623 -1.237 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -5.630 -11.604 -0.651 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -6.772 -10.657 0.281 1.00 1.13 H new ATOM 0 HE ARG A 46 -7.240 -9.489 -2.014 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -6.392 -12.899 -1.570 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -7.254 -13.413 -3.024 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -8.332 -10.153 -3.862 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -8.352 -11.859 -4.320 1.00 3.27 H new ATOM 700 N HIS A 47 -3.108 -6.290 0.217 1.00 0.32 N ATOM 701 CA HIS A 47 -3.528 -4.914 -0.009 1.00 0.45 C ATOM 702 C HIS A 47 -3.134 -4.452 -1.402 1.00 0.43 C ATOM 703 O HIS A 47 -2.261 -5.041 -2.041 1.00 0.46 O ATOM 704 CB HIS A 47 -2.916 -3.974 1.036 1.00 0.68 C ATOM 705 CG HIS A 47 -3.624 -3.983 2.358 1.00 1.01 C ATOM 706 ND1 HIS A 47 -4.852 -3.390 2.550 1.00 1.79 N ATOM 707 CD2 HIS A 47 -3.272 -4.509 3.557 1.00 1.21 C ATOM 708 CE1 HIS A 47 -5.224 -3.547 3.806 1.00 1.98 C ATOM 709 NE2 HIS A 47 -4.285 -4.223 4.439 1.00 1.57 N ATOM 0 H HIS A 47 -2.189 -6.518 -0.161 1.00 0.32 H new ATOM 0 HA HIS A 47 -4.614 -4.882 0.083 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -1.874 -4.252 1.192 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -2.919 -2.958 0.641 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -2.365 -5.052 3.777 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -6.143 -3.183 4.242 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -4.308 -4.490 5.423 1.00 1.57 H new ATOM 718 N ASP A 48 -3.800 -3.407 -1.871 1.00 0.47 N ATOM 719 CA ASP A 48 -3.480 -2.807 -3.160 1.00 0.55 C ATOM 720 C ASP A 48 -2.444 -1.705 -2.969 1.00 0.48 C ATOM 721 O ASP A 48 -2.172 -1.302 -1.838 1.00 0.44 O ATOM 722 CB ASP A 48 -4.733 -2.241 -3.837 1.00 0.70 C ATOM 723 CG ASP A 48 -5.336 -1.079 -3.075 1.00 1.20 C ATOM 724 OD1 ASP A 48 -6.143 -1.316 -2.152 1.00 1.80 O ATOM 725 OD2 ASP A 48 -5.008 0.080 -3.397 1.00 1.86 O ATOM 0 H ASP A 48 -4.569 -2.955 -1.376 1.00 0.47 H new ATOM 0 HA ASP A 48 -3.072 -3.583 -3.808 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -4.480 -1.916 -4.846 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.477 -3.032 -3.934 1.00 0.70 H new ATOM 730 N LEU A 49 -1.889 -1.215 -4.070 1.00 0.50 N ATOM 731 CA LEU A 49 -0.775 -0.275 -4.022 1.00 0.51 C ATOM 732 C LEU A 49 -1.138 1.002 -3.260 1.00 0.42 C ATOM 733 O LEU A 49 -0.490 1.344 -2.266 1.00 0.43 O ATOM 734 CB LEU A 49 -0.319 0.073 -5.443 1.00 0.61 C ATOM 735 CG LEU A 49 0.928 0.955 -5.532 1.00 0.73 C ATOM 736 CD1 LEU A 49 2.134 0.246 -4.934 1.00 1.16 C ATOM 737 CD2 LEU A 49 1.201 1.344 -6.977 1.00 1.18 C ATOM 0 H LEU A 49 -2.194 -1.455 -5.013 1.00 0.50 H new ATOM 0 HA LEU A 49 0.041 -0.759 -3.485 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -0.127 -0.854 -5.983 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.138 0.577 -5.956 1.00 0.61 H new ATOM 0 HG LEU A 49 0.747 1.863 -4.957 1.00 0.73 H new ATOM 0 HD11 LEU A 49 3.009 0.891 -5.008 1.00 1.16 H new ATOM 0 HD12 LEU A 49 1.939 0.018 -3.886 1.00 1.16 H new ATOM 0 HD13 LEU A 49 2.319 -0.680 -5.479 1.00 1.16 H new ATOM 0 HD21 LEU A 49 2.091 1.971 -7.023 1.00 1.18 H new ATOM 0 HD22 LEU A 49 1.360 0.445 -7.572 1.00 1.18 H new ATOM 0 HD23 LEU A 49 0.348 1.895 -7.373 1.00 1.18 H new ATOM 749 N GLN A 50 -2.180 1.690 -3.717 1.00 0.41 N ATOM 750 CA GLN A 50 -2.552 2.987 -3.161 1.00 0.42 C ATOM 751 C GLN A 50 -2.900 2.894 -1.675 1.00 0.39 C ATOM 752 O GLN A 50 -2.469 3.734 -0.880 1.00 0.41 O ATOM 753 CB GLN A 50 -3.722 3.593 -3.939 1.00 0.52 C ATOM 754 CG GLN A 50 -4.098 4.988 -3.467 1.00 1.21 C ATOM 755 CD GLN A 50 -5.205 5.609 -4.291 1.00 1.67 C ATOM 756 OE1 GLN A 50 -5.346 5.327 -5.480 1.00 2.15 O ATOM 757 NE2 GLN A 50 -5.995 6.462 -3.663 1.00 2.39 N ATOM 0 H GLN A 50 -2.784 1.369 -4.474 1.00 0.41 H new ATOM 0 HA GLN A 50 -1.684 3.639 -3.258 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -3.464 3.632 -4.997 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -4.589 2.939 -3.846 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -4.411 4.941 -2.424 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -3.218 5.630 -3.508 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -5.842 6.667 -2.676 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -6.758 6.916 -4.166 1.00 2.39 H new ATOM 766 N SER A 51 -3.673 1.879 -1.300 1.00 0.41 N ATOM 767 CA SER A 51 -4.057 1.697 0.096 1.00 0.46 C ATOM 768 C SER A 51 -2.830 1.464 0.971 1.00 0.41 C ATOM 769 O SER A 51 -2.736 1.995 2.079 1.00 0.43 O ATOM 770 CB SER A 51 -5.039 0.536 0.235 1.00 0.57 C ATOM 771 OG SER A 51 -6.198 0.759 -0.548 1.00 1.33 O ATOM 0 H SER A 51 -4.044 1.175 -1.938 1.00 0.41 H new ATOM 0 HA SER A 51 -4.548 2.609 0.434 1.00 0.46 H new ATOM 0 HB2 SER A 51 -4.558 -0.392 -0.076 1.00 0.57 H new ATOM 0 HB3 SER A 51 -5.320 0.415 1.281 1.00 0.57 H new ATOM 0 HG SER A 51 -6.513 -0.093 -0.916 1.00 1.33 H new ATOM 777 N SER A 52 -1.887 0.679 0.464 1.00 0.40 N ATOM 778 CA SER A 52 -0.648 0.416 1.182 1.00 0.43 C ATOM 779 C SER A 52 0.143 1.705 1.385 1.00 0.41 C ATOM 780 O SER A 52 0.704 1.941 2.458 1.00 0.45 O ATOM 781 CB SER A 52 0.187 -0.613 0.426 1.00 0.49 C ATOM 782 OG SER A 52 -0.566 -1.794 0.203 1.00 1.21 O ATOM 0 H SER A 52 -1.957 0.214 -0.441 1.00 0.40 H new ATOM 0 HA SER A 52 -0.894 0.013 2.164 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.513 -0.197 -0.527 1.00 0.49 H new ATOM 0 HB3 SER A 52 1.086 -0.850 0.995 1.00 0.49 H new ATOM 0 HG SER A 52 -1.244 -1.625 -0.484 1.00 1.21 H new ATOM 788 N LEU A 53 0.160 2.545 0.353 1.00 0.39 N ATOM 789 CA LEU A 53 0.837 3.834 0.420 1.00 0.41 C ATOM 790 C LEU A 53 0.209 4.706 1.502 1.00 0.40 C ATOM 791 O LEU A 53 0.908 5.389 2.244 1.00 0.46 O ATOM 792 CB LEU A 53 0.771 4.547 -0.937 1.00 0.44 C ATOM 793 CG LEU A 53 1.453 3.810 -2.089 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.201 4.532 -3.403 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.947 3.682 -1.828 1.00 0.56 C ATOM 0 H LEU A 53 -0.290 2.353 -0.542 1.00 0.39 H new ATOM 0 HA LEU A 53 1.883 3.661 0.671 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.276 4.706 -1.196 1.00 0.44 H new ATOM 0 HB3 LEU A 53 1.227 5.532 -0.835 1.00 0.44 H new ATOM 0 HG LEU A 53 1.029 2.808 -2.159 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.693 3.995 -4.214 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.129 4.575 -3.595 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.600 5.545 -3.344 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.417 3.155 -2.658 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.386 4.675 -1.733 1.00 0.56 H new ATOM 0 HD23 LEU A 53 3.109 3.124 -0.906 1.00 0.56 H new ATOM 807 N ARG A 54 -1.117 4.662 1.590 1.00 0.38 N ATOM 808 CA ARG A 54 -1.846 5.423 2.601 1.00 0.43 C ATOM 809 C ARG A 54 -1.457 4.986 4.007 1.00 0.42 C ATOM 810 O ARG A 54 -1.039 5.804 4.823 1.00 0.48 O ATOM 811 CB ARG A 54 -3.358 5.265 2.416 1.00 0.51 C ATOM 812 CG ARG A 54 -3.919 6.055 1.249 1.00 1.10 C ATOM 813 CD ARG A 54 -5.426 5.897 1.143 1.00 1.31 C ATOM 814 NE ARG A 54 -6.020 6.859 0.212 1.00 1.87 N ATOM 815 CZ ARG A 54 -7.229 6.721 -0.331 1.00 2.48 C ATOM 816 NH1 ARG A 54 -7.951 5.639 -0.087 1.00 2.70 N ATOM 817 NH2 ARG A 54 -7.707 7.670 -1.125 1.00 3.38 N ATOM 0 H ARG A 54 -1.710 4.107 0.973 1.00 0.38 H new ATOM 0 HA ARG A 54 -1.578 6.472 2.474 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -3.588 4.209 2.272 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -3.861 5.579 3.330 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -3.670 7.109 1.369 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -3.451 5.720 0.323 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -5.661 4.884 0.815 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -5.873 6.025 2.129 1.00 1.31 H new ATOM 0 HE ARG A 54 -5.475 7.685 -0.036 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -7.583 4.906 0.519 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -8.876 5.538 -0.505 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -7.149 8.502 -1.318 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -8.632 7.568 -1.542 1.00 3.38 H new ATOM 831 N ILE A 55 -1.581 3.691 4.276 1.00 0.42 N ATOM 832 CA ILE A 55 -1.335 3.155 5.611 1.00 0.47 C ATOM 833 C ILE A 55 0.113 3.389 6.053 1.00 0.49 C ATOM 834 O ILE A 55 0.377 3.667 7.222 1.00 0.59 O ATOM 835 CB ILE A 55 -1.662 1.643 5.677 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.121 1.409 5.279 1.00 0.59 C ATOM 837 CG2 ILE A 55 -1.392 1.090 7.073 1.00 0.66 C ATOM 838 CD1 ILE A 55 -3.525 -0.051 5.258 1.00 1.24 C ATOM 0 H ILE A 55 -1.851 2.991 3.585 1.00 0.42 H new ATOM 0 HA ILE A 55 -1.996 3.689 6.293 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.015 1.115 4.976 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -3.767 1.945 5.974 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -3.291 1.837 4.291 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -1.629 0.026 7.095 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -0.341 1.233 7.324 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.013 1.615 7.799 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -4.572 -0.135 4.967 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -2.905 -0.590 4.541 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -3.389 -0.480 6.251 1.00 1.24 H new ATOM 850 N LEU A 56 1.041 3.296 5.110 1.00 0.45 N ATOM 851 CA LEU A 56 2.455 3.469 5.416 1.00 0.52 C ATOM 852 C LEU A 56 2.779 4.948 5.638 1.00 0.53 C ATOM 853 O LEU A 56 3.579 5.293 6.506 1.00 0.65 O ATOM 854 CB LEU A 56 3.311 2.884 4.277 1.00 0.57 C ATOM 855 CG LEU A 56 4.765 2.526 4.630 1.00 0.75 C ATOM 856 CD1 LEU A 56 5.336 1.559 3.601 1.00 1.04 C ATOM 857 CD2 LEU A 56 5.638 3.772 4.703 1.00 1.63 C ATOM 0 H LEU A 56 0.841 3.102 4.129 1.00 0.45 H new ATOM 0 HA LEU A 56 2.687 2.934 6.337 1.00 0.52 H new ATOM 0 HB2 LEU A 56 2.818 1.985 3.906 1.00 0.57 H new ATOM 0 HB3 LEU A 56 3.325 3.602 3.457 1.00 0.57 H new ATOM 0 HG LEU A 56 4.762 2.050 5.611 1.00 0.75 H new ATOM 0 HD11 LEU A 56 6.365 1.314 3.863 1.00 1.04 H new ATOM 0 HD12 LEU A 56 4.739 0.647 3.588 1.00 1.04 H new ATOM 0 HD13 LEU A 56 5.313 2.022 2.615 1.00 1.04 H new ATOM 0 HD21 LEU A 56 6.659 3.486 4.954 1.00 1.63 H new ATOM 0 HD22 LEU A 56 5.630 4.279 3.738 1.00 1.63 H new ATOM 0 HD23 LEU A 56 5.250 4.444 5.469 1.00 1.63 H new ATOM 869 N LEU A 57 2.142 5.822 4.866 1.00 0.51 N ATOM 870 CA LEU A 57 2.451 7.246 4.918 1.00 0.63 C ATOM 871 C LEU A 57 1.349 8.045 5.613 1.00 0.72 C ATOM 872 O LEU A 57 1.186 9.234 5.347 1.00 1.16 O ATOM 873 CB LEU A 57 2.672 7.789 3.503 1.00 0.80 C ATOM 874 CG LEU A 57 3.836 7.162 2.734 1.00 1.29 C ATOM 875 CD1 LEU A 57 3.908 7.733 1.329 1.00 1.68 C ATOM 876 CD2 LEU A 57 5.142 7.400 3.466 1.00 2.17 C ATOM 0 H LEU A 57 1.412 5.571 4.200 1.00 0.51 H new ATOM 0 HA LEU A 57 3.364 7.361 5.502 1.00 0.63 H new ATOM 0 HB2 LEU A 57 1.758 7.641 2.928 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.838 8.864 3.567 1.00 0.80 H new ATOM 0 HG LEU A 57 3.667 6.087 2.665 1.00 1.29 H new ATOM 0 HD11 LEU A 57 4.741 7.278 0.793 1.00 1.68 H new ATOM 0 HD12 LEU A 57 2.978 7.520 0.802 1.00 1.68 H new ATOM 0 HD13 LEU A 57 4.057 8.812 1.382 1.00 1.68 H new ATOM 0 HD21 LEU A 57 5.961 6.948 2.906 1.00 2.17 H new ATOM 0 HD22 LEU A 57 5.316 8.472 3.561 1.00 2.17 H new ATOM 0 HD23 LEU A 57 5.090 6.952 4.458 1.00 2.17 H new ATOM 888 N GLN A 58 0.595 7.382 6.488 1.00 0.61 N ATOM 889 CA GLN A 58 -0.465 8.037 7.262 1.00 0.79 C ATOM 890 C GLN A 58 0.019 9.328 7.924 1.00 1.05 C ATOM 891 O GLN A 58 -0.426 10.427 7.578 1.00 2.03 O ATOM 892 CB GLN A 58 -1.009 7.095 8.342 1.00 0.90 C ATOM 893 CG GLN A 58 -1.942 6.013 7.821 1.00 1.29 C ATOM 894 CD GLN A 58 -3.263 6.558 7.303 1.00 1.60 C ATOM 895 OE1 GLN A 58 -3.340 7.674 6.784 1.00 2.30 O ATOM 896 NE2 GLN A 58 -4.321 5.782 7.466 1.00 1.85 N ATOM 0 H GLN A 58 0.697 6.386 6.681 1.00 0.61 H new ATOM 0 HA GLN A 58 -1.257 8.288 6.556 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -0.169 6.620 8.849 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.539 7.686 9.089 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -1.443 5.467 7.020 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -2.140 5.298 8.619 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -4.219 4.864 7.900 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -5.240 6.101 7.158 1.00 1.85 H new ATOM 905 N GLY A 59 0.929 9.191 8.878 1.00 0.97 N ATOM 906 CA GLY A 59 1.415 10.344 9.609 1.00 1.28 C ATOM 907 C GLY A 59 2.924 10.424 9.619 1.00 1.13 C ATOM 908 O GLY A 59 3.528 10.737 10.640 1.00 1.42 O ATOM 0 H GLY A 59 1.340 8.301 9.159 1.00 0.97 H new ATOM 0 HA2 GLY A 59 1.008 11.252 9.163 1.00 1.28 H new ATOM 0 HA3 GLY A 59 1.049 10.301 10.635 1.00 1.28 H new ATOM 912 N THR A 60 3.537 10.130 8.484 1.00 0.95 N ATOM 913 CA THR A 60 4.981 10.205 8.360 1.00 0.99 C ATOM 914 C THR A 60 5.426 11.586 7.890 1.00 1.06 C ATOM 915 O THR A 60 6.607 11.924 7.972 1.00 1.25 O ATOM 916 CB THR A 60 5.501 9.147 7.376 1.00 1.04 C ATOM 917 OG1 THR A 60 4.727 9.193 6.172 1.00 0.99 O ATOM 918 CG2 THR A 60 5.429 7.754 7.985 1.00 1.21 C ATOM 0 H THR A 60 3.055 9.837 7.634 1.00 0.95 H new ATOM 0 HA THR A 60 5.399 10.016 9.349 1.00 0.99 H new ATOM 0 HB THR A 60 6.545 9.366 7.150 1.00 1.04 H new ATOM 0 HG1 THR A 60 5.276 9.552 5.444 1.00 0.99 H new ATOM 0 HG21 THR A 60 5.803 7.024 7.268 1.00 1.21 H new ATOM 0 HG22 THR A 60 6.038 7.720 8.889 1.00 1.21 H new ATOM 0 HG23 THR A 60 4.394 7.519 8.236 1.00 1.21 H new ATOM 926 N GLY A 61 4.478 12.383 7.412 1.00 1.08 N ATOM 927 CA GLY A 61 4.799 13.712 6.932 1.00 1.32 C ATOM 928 C GLY A 61 5.203 13.718 5.472 1.00 1.26 C ATOM 929 O GLY A 61 5.612 14.749 4.937 1.00 1.35 O ATOM 0 H GLY A 61 3.492 12.131 7.349 1.00 1.08 H new ATOM 0 HA2 GLY A 61 3.936 14.363 7.070 1.00 1.32 H new ATOM 0 HA3 GLY A 61 5.609 14.126 7.532 1.00 1.32 H new ATOM 933 N LEU A 62 5.086 12.569 4.821 1.00 1.16 N ATOM 934 CA LEU A 62 5.463 12.441 3.424 1.00 1.11 C ATOM 935 C LEU A 62 4.224 12.210 2.567 1.00 1.07 C ATOM 936 O LEU A 62 3.204 11.730 3.060 1.00 1.14 O ATOM 937 CB LEU A 62 6.438 11.274 3.246 1.00 1.10 C ATOM 938 CG LEU A 62 7.718 11.356 4.082 1.00 1.19 C ATOM 939 CD1 LEU A 62 8.558 10.104 3.889 1.00 1.23 C ATOM 940 CD2 LEU A 62 8.521 12.595 3.712 1.00 1.28 C ATOM 0 H LEU A 62 4.731 11.710 5.242 1.00 1.16 H new ATOM 0 HA LEU A 62 5.950 13.364 3.108 1.00 1.11 H new ATOM 0 HB2 LEU A 62 5.920 10.348 3.495 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.715 11.211 2.194 1.00 1.10 H new ATOM 0 HG LEU A 62 7.438 11.429 5.133 1.00 1.19 H new ATOM 0 HD11 LEU A 62 9.464 10.178 4.490 1.00 1.23 H new ATOM 0 HD12 LEU A 62 7.986 9.230 4.201 1.00 1.23 H new ATOM 0 HD13 LEU A 62 8.827 10.005 2.837 1.00 1.23 H new ATOM 0 HD21 LEU A 62 9.427 12.636 4.317 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.791 12.552 2.657 1.00 1.28 H new ATOM 0 HD23 LEU A 62 7.921 13.486 3.897 1.00 1.28 H new ATOM 952 N ARG A 63 4.317 12.549 1.293 1.00 1.01 N ATOM 953 CA ARG A 63 3.213 12.353 0.366 1.00 1.03 C ATOM 954 C ARG A 63 3.662 11.495 -0.800 1.00 0.92 C ATOM 955 O ARG A 63 4.846 11.188 -0.929 1.00 0.87 O ATOM 956 CB ARG A 63 2.691 13.691 -0.151 1.00 1.15 C ATOM 957 CG ARG A 63 1.909 14.487 0.878 1.00 1.51 C ATOM 958 CD ARG A 63 1.236 15.689 0.237 1.00 1.78 C ATOM 959 NE ARG A 63 0.405 15.300 -0.901 1.00 2.51 N ATOM 960 CZ ARG A 63 -0.030 16.148 -1.830 1.00 3.28 C ATOM 961 NH1 ARG A 63 0.256 17.443 -1.739 1.00 3.53 N ATOM 962 NH2 ARG A 63 -0.742 15.699 -2.857 1.00 4.21 N ATOM 0 H ARG A 63 5.150 12.963 0.874 1.00 1.01 H new ATOM 0 HA ARG A 63 2.406 11.849 0.899 1.00 1.03 H new ATOM 0 HB2 ARG A 63 3.534 14.290 -0.495 1.00 1.15 H new ATOM 0 HB3 ARG A 63 2.054 13.511 -1.017 1.00 1.15 H new ATOM 0 HG2 ARG A 63 1.157 13.849 1.342 1.00 1.51 H new ATOM 0 HG3 ARG A 63 2.578 14.820 1.671 1.00 1.51 H new ATOM 0 HD2 ARG A 63 0.622 16.200 0.978 1.00 1.78 H new ATOM 0 HD3 ARG A 63 1.995 16.398 -0.092 1.00 1.78 H new ATOM 0 HE ARG A 63 0.142 14.318 -0.988 1.00 2.51 H new ATOM 0 HH11 ARG A 63 0.810 17.789 -0.956 1.00 3.53 H new ATOM 0 HH12 ARG A 63 -0.079 18.091 -2.452 1.00 3.53 H new ATOM 0 HH21 ARG A 63 -0.955 14.705 -2.934 1.00 4.21 H new ATOM 0 HH22 ARG A 63 -1.076 16.349 -3.569 1.00 4.21 H new ATOM 976 N TYR A 64 2.729 11.117 -1.656 1.00 0.96 N ATOM 977 CA TYR A 64 3.054 10.270 -2.790 1.00 0.91 C ATOM 978 C TYR A 64 2.280 10.685 -4.035 1.00 0.89 C ATOM 979 O TYR A 64 1.069 10.905 -3.989 1.00 0.94 O ATOM 980 CB TYR A 64 2.771 8.797 -2.456 1.00 0.92 C ATOM 981 CG TYR A 64 1.333 8.507 -2.071 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.909 8.621 -0.752 1.00 1.02 C ATOM 983 CD2 TYR A 64 0.399 8.119 -3.026 1.00 1.06 C ATOM 984 CE1 TYR A 64 -0.400 8.358 -0.399 1.00 1.14 C ATOM 985 CE2 TYR A 64 -0.910 7.855 -2.678 1.00 1.18 C ATOM 986 CZ TYR A 64 -1.303 7.976 -1.365 1.00 1.20 C ATOM 987 OH TYR A 64 -2.610 7.719 -1.019 1.00 1.37 O ATOM 0 H TYR A 64 1.746 11.381 -1.589 1.00 0.96 H new ATOM 0 HA TYR A 64 4.117 10.389 -3.000 1.00 0.91 H new ATOM 0 HB2 TYR A 64 3.034 8.185 -3.318 1.00 0.92 H new ATOM 0 HB3 TYR A 64 3.422 8.491 -1.637 1.00 0.92 H new ATOM 0 HD1 TYR A 64 1.615 8.920 0.009 1.00 1.02 H new ATOM 0 HD2 TYR A 64 0.704 8.023 -4.058 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -0.714 8.452 0.630 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -1.622 7.555 -3.432 1.00 1.18 H new ATOM 0 HH TYR A 64 -3.116 7.463 -1.818 1.00 1.37 H new ATOM 997 N GLN A 65 2.998 10.826 -5.134 1.00 0.90 N ATOM 998 CA GLN A 65 2.377 11.041 -6.428 1.00 0.93 C ATOM 999 C GLN A 65 2.354 9.724 -7.186 1.00 0.87 C ATOM 1000 O GLN A 65 3.405 9.191 -7.549 1.00 0.86 O ATOM 1001 CB GLN A 65 3.146 12.093 -7.226 1.00 1.03 C ATOM 1002 CG GLN A 65 3.371 13.387 -6.462 1.00 1.59 C ATOM 1003 CD GLN A 65 4.096 14.436 -7.282 1.00 2.07 C ATOM 1004 OE1 GLN A 65 3.936 14.513 -8.502 1.00 2.64 O ATOM 1005 NE2 GLN A 65 4.902 15.246 -6.619 1.00 2.63 N ATOM 0 H GLN A 65 4.017 10.795 -5.156 1.00 0.90 H new ATOM 0 HA GLN A 65 1.359 11.404 -6.284 1.00 0.93 H new ATOM 0 HB2 GLN A 65 4.111 11.681 -7.520 1.00 1.03 H new ATOM 0 HB3 GLN A 65 2.600 12.312 -8.144 1.00 1.03 H new ATOM 0 HG2 GLN A 65 2.409 13.785 -6.140 1.00 1.59 H new ATOM 0 HG3 GLN A 65 3.946 13.176 -5.561 1.00 1.59 H new ATOM 0 HE21 GLN A 65 5.006 15.148 -5.609 1.00 2.63 H new ATOM 0 HE22 GLN A 65 5.421 15.969 -7.117 1.00 2.63 H new ATOM 1014 N ILE A 66 1.163 9.189 -7.393 1.00 0.88 N ATOM 1015 CA ILE A 66 1.015 7.890 -8.028 1.00 0.86 C ATOM 1016 C ILE A 66 0.582 8.039 -9.484 1.00 0.98 C ATOM 1017 O ILE A 66 -0.448 8.645 -9.783 1.00 1.11 O ATOM 1018 CB ILE A 66 0.019 6.989 -7.252 1.00 0.92 C ATOM 1019 CG1 ILE A 66 -0.192 5.660 -7.992 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -1.310 7.704 -7.028 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -1.087 4.686 -7.255 1.00 1.13 C ATOM 0 H ILE A 66 0.284 9.634 -7.131 1.00 0.88 H new ATOM 0 HA ILE A 66 1.990 7.404 -8.008 1.00 0.86 H new ATOM 0 HB ILE A 66 0.448 6.773 -6.274 1.00 0.92 H new ATOM 0 HG12 ILE A 66 -0.623 5.865 -8.972 1.00 1.02 H new ATOM 0 HG13 ILE A 66 0.777 5.191 -8.162 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.988 7.048 -6.482 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -1.141 8.613 -6.451 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.751 7.962 -7.991 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -1.189 3.772 -7.839 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.648 4.450 -6.286 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -2.070 5.134 -7.109 1.00 1.13 H new ATOM 1033 N ASP A 67 1.396 7.511 -10.381 1.00 1.04 N ATOM 1034 CA ASP A 67 1.111 7.556 -11.807 1.00 1.25 C ATOM 1035 C ASP A 67 1.250 6.162 -12.405 1.00 1.20 C ATOM 1036 O ASP A 67 2.353 5.724 -12.746 1.00 1.13 O ATOM 1037 CB ASP A 67 2.054 8.538 -12.519 1.00 1.45 C ATOM 1038 CG ASP A 67 1.713 9.994 -12.241 1.00 1.82 C ATOM 1039 OD1 ASP A 67 2.189 10.534 -11.221 1.00 2.29 O ATOM 1040 OD2 ASP A 67 0.965 10.607 -13.036 1.00 2.28 O ATOM 0 H ASP A 67 2.270 7.041 -10.145 1.00 1.04 H new ATOM 0 HA ASP A 67 0.088 7.905 -11.948 1.00 1.25 H new ATOM 0 HB2 ASP A 67 3.079 8.343 -12.203 1.00 1.45 H new ATOM 0 HB3 ASP A 67 2.013 8.359 -13.593 1.00 1.45 H new ATOM 1045 N GLY A 68 0.127 5.465 -12.509 1.00 1.28 N ATOM 1046 CA GLY A 68 0.120 4.114 -13.047 1.00 1.30 C ATOM 1047 C GLY A 68 0.865 3.125 -12.168 1.00 1.14 C ATOM 1048 O GLY A 68 0.335 2.656 -11.160 1.00 1.18 O ATOM 0 H GLY A 68 -0.790 5.813 -12.228 1.00 1.28 H new ATOM 0 HA2 GLY A 68 -0.911 3.781 -13.167 1.00 1.30 H new ATOM 0 HA3 GLY A 68 0.570 4.121 -14.040 1.00 1.30 H new ATOM 1052 N ASN A 69 2.100 2.815 -12.544 1.00 1.03 N ATOM 1053 CA ASN A 69 2.916 1.868 -11.786 1.00 0.94 C ATOM 1054 C ASN A 69 4.166 2.560 -11.254 1.00 0.75 C ATOM 1055 O ASN A 69 5.082 1.921 -10.737 1.00 0.69 O ATOM 1056 CB ASN A 69 3.300 0.637 -12.634 1.00 1.06 C ATOM 1057 CG ASN A 69 4.476 0.860 -13.583 1.00 1.67 C ATOM 1058 OD1 ASN A 69 5.339 -0.009 -13.720 1.00 2.35 O ATOM 1059 ND2 ASN A 69 4.499 1.986 -14.285 1.00 2.29 N ATOM 0 H ASN A 69 2.560 3.204 -13.367 1.00 1.03 H new ATOM 0 HA ASN A 69 2.319 1.513 -10.946 1.00 0.94 H new ATOM 0 HB2 ASN A 69 3.542 -0.188 -11.964 1.00 1.06 H new ATOM 0 HB3 ASN A 69 2.432 0.329 -13.218 1.00 1.06 H new ATOM 0 HD21 ASN A 69 5.245 2.151 -14.960 1.00 2.29 H new ATOM 0 HD22 ASN A 69 3.770 2.687 -14.149 1.00 2.29 H new ATOM 1066 N THR A 70 4.196 3.876 -11.386 1.00 0.74 N ATOM 1067 CA THR A 70 5.306 4.670 -10.894 1.00 0.68 C ATOM 1068 C THR A 70 4.821 5.626 -9.807 1.00 0.63 C ATOM 1069 O THR A 70 3.830 6.333 -9.989 1.00 0.71 O ATOM 1070 CB THR A 70 5.960 5.463 -12.044 1.00 0.85 C ATOM 1071 OG1 THR A 70 6.312 4.563 -13.106 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.204 6.200 -11.566 1.00 0.89 C ATOM 0 H THR A 70 3.457 4.419 -11.834 1.00 0.74 H new ATOM 0 HA THR A 70 6.053 3.998 -10.472 1.00 0.68 H new ATOM 0 HB THR A 70 5.243 6.201 -12.403 1.00 0.85 H new ATOM 0 HG1 THR A 70 6.726 5.067 -13.838 1.00 0.97 H new ATOM 0 HG21 THR A 70 7.643 6.750 -12.398 1.00 0.89 H new ATOM 0 HG22 THR A 70 6.932 6.897 -10.774 1.00 0.89 H new ATOM 0 HG23 THR A 70 7.928 5.481 -11.184 1.00 0.89 H new ATOM 1080 N VAL A 71 5.506 5.632 -8.676 1.00 0.56 N ATOM 1081 CA VAL A 71 5.107 6.444 -7.540 1.00 0.58 C ATOM 1082 C VAL A 71 6.275 7.304 -7.070 1.00 0.57 C ATOM 1083 O VAL A 71 7.396 6.818 -6.922 1.00 0.57 O ATOM 1084 CB VAL A 71 4.611 5.571 -6.367 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.102 6.439 -5.227 1.00 0.68 C ATOM 1086 CG2 VAL A 71 3.533 4.603 -6.830 1.00 0.65 C ATOM 0 H VAL A 71 6.348 5.078 -8.520 1.00 0.56 H new ATOM 0 HA VAL A 71 4.286 7.083 -7.866 1.00 0.58 H new ATOM 0 HB VAL A 71 5.455 4.987 -6.000 1.00 0.60 H new ATOM 0 HG11 VAL A 71 3.758 5.803 -4.411 1.00 0.68 H new ATOM 0 HG12 VAL A 71 4.908 7.081 -4.871 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.275 7.056 -5.580 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.200 3.999 -5.986 1.00 0.65 H new ATOM 0 HG22 VAL A 71 2.689 5.164 -7.231 1.00 0.65 H new ATOM 0 HG23 VAL A 71 3.937 3.952 -7.605 1.00 0.65 H new ATOM 1096 N THR A 72 6.014 8.578 -6.851 1.00 0.63 N ATOM 1097 CA THR A 72 7.040 9.498 -6.394 1.00 0.66 C ATOM 1098 C THR A 72 6.733 9.983 -4.981 1.00 0.70 C ATOM 1099 O THR A 72 5.713 10.628 -4.746 1.00 0.78 O ATOM 1100 CB THR A 72 7.148 10.708 -7.342 1.00 0.75 C ATOM 1101 OG1 THR A 72 7.212 10.241 -8.694 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.385 11.538 -7.028 1.00 0.80 C ATOM 0 H THR A 72 5.096 9.002 -6.983 1.00 0.63 H new ATOM 0 HA THR A 72 7.991 8.965 -6.390 1.00 0.66 H new ATOM 0 HB THR A 72 6.270 11.339 -7.205 1.00 0.75 H new ATOM 0 HG1 THR A 72 7.279 11.007 -9.302 1.00 0.76 H new ATOM 0 HG21 THR A 72 8.438 12.386 -7.711 1.00 0.80 H new ATOM 0 HG22 THR A 72 8.328 11.902 -6.002 1.00 0.80 H new ATOM 0 HG23 THR A 72 9.276 10.922 -7.145 1.00 0.80 H new ATOM 1110 N VAL A 73 7.608 9.650 -4.043 1.00 0.70 N ATOM 1111 CA VAL A 73 7.437 10.063 -2.661 1.00 0.76 C ATOM 1112 C VAL A 73 7.922 11.496 -2.484 1.00 0.90 C ATOM 1113 O VAL A 73 9.101 11.795 -2.674 1.00 1.01 O ATOM 1114 CB VAL A 73 8.193 9.131 -1.689 1.00 0.79 C ATOM 1115 CG1 VAL A 73 7.965 9.550 -0.242 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.771 7.684 -1.900 1.00 0.75 C ATOM 0 H VAL A 73 8.445 9.093 -4.216 1.00 0.70 H new ATOM 0 HA VAL A 73 6.375 10.002 -2.425 1.00 0.76 H new ATOM 0 HB VAL A 73 9.259 9.215 -1.900 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.508 8.877 0.422 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.323 10.569 -0.098 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.900 9.503 -0.013 1.00 0.89 H new ATOM 0 HG21 VAL A 73 8.314 7.042 -1.207 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.700 7.588 -1.721 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.996 7.385 -2.924 1.00 0.75 H new ATOM 1126 N THR A 74 7.006 12.376 -2.129 1.00 0.97 N ATOM 1127 CA THR A 74 7.314 13.785 -1.998 1.00 1.15 C ATOM 1128 C THR A 74 7.421 14.169 -0.526 1.00 1.11 C ATOM 1129 O THR A 74 6.571 13.798 0.284 1.00 0.99 O ATOM 1130 CB THR A 74 6.229 14.638 -2.684 1.00 1.38 C ATOM 1131 OG1 THR A 74 5.972 14.118 -3.997 1.00 1.87 O ATOM 1132 CG2 THR A 74 6.657 16.095 -2.789 1.00 1.47 C ATOM 0 H THR A 74 6.036 12.137 -1.925 1.00 0.97 H new ATOM 0 HA THR A 74 8.271 13.975 -2.484 1.00 1.15 H new ATOM 0 HB THR A 74 5.324 14.591 -2.079 1.00 1.38 H new ATOM 0 HG1 THR A 74 6.666 14.430 -4.614 1.00 1.87 H new ATOM 0 HG21 THR A 74 5.871 16.671 -3.277 1.00 1.47 H new ATOM 0 HG22 THR A 74 6.833 16.495 -1.791 1.00 1.47 H new ATOM 0 HG23 THR A 74 7.574 16.164 -3.374 1.00 1.47 H new ATOM 1140 N ALA A 75 8.474 14.896 -0.185 1.00 1.29 N ATOM 1141 CA ALA A 75 8.708 15.299 1.187 1.00 1.36 C ATOM 1142 C ALA A 75 8.065 16.652 1.456 1.00 1.48 C ATOM 1143 O ALA A 75 7.916 17.468 0.545 1.00 1.72 O ATOM 1144 CB ALA A 75 10.202 15.350 1.475 1.00 1.56 C ATOM 0 H ALA A 75 9.181 15.219 -0.845 1.00 1.29 H new ATOM 0 HA ALA A 75 8.254 14.563 1.851 1.00 1.36 H new ATOM 0 HB1 ALA A 75 10.363 15.654 2.509 1.00 1.56 H new ATOM 0 HB2 ALA A 75 10.637 14.364 1.315 1.00 1.56 H new ATOM 0 HB3 ALA A 75 10.677 16.069 0.807 1.00 1.56 H new ATOM 1150 N SER A 76 7.684 16.889 2.697 1.00 1.52 N ATOM 1151 CA SER A 76 7.068 18.148 3.063 1.00 1.75 C ATOM 1152 C SER A 76 8.016 18.949 3.944 1.00 2.24 C ATOM 1153 O SER A 76 8.388 18.509 5.033 1.00 2.81 O ATOM 1154 CB SER A 76 5.737 17.905 3.785 1.00 2.10 C ATOM 1155 OG SER A 76 4.992 19.108 3.893 1.00 2.68 O ATOM 0 H SER A 76 7.790 16.228 3.466 1.00 1.52 H new ATOM 0 HA SER A 76 6.863 18.718 2.157 1.00 1.75 H new ATOM 0 HB2 SER A 76 5.155 17.160 3.242 1.00 2.10 H new ATOM 0 HB3 SER A 76 5.927 17.500 4.779 1.00 2.10 H new ATOM 0 HG SER A 76 4.147 18.929 4.355 1.00 2.68 H new ATOM 1161 N ALA A 77 8.426 20.111 3.454 1.00 2.71 N ATOM 1162 CA ALA A 77 9.332 20.977 4.197 1.00 3.56 C ATOM 1163 C ALA A 77 8.549 21.932 5.091 1.00 4.02 C ATOM 1164 O ALA A 77 8.569 21.803 6.313 1.00 4.62 O ATOM 1165 CB ALA A 77 10.230 21.751 3.245 1.00 4.29 C ATOM 0 H ALA A 77 8.145 20.476 2.544 1.00 2.71 H new ATOM 0 HA ALA A 77 9.961 20.352 4.831 1.00 3.56 H new ATOM 0 HB1 ALA A 77 10.900 22.393 3.817 1.00 4.29 H new ATOM 0 HB2 ALA A 77 10.818 21.052 2.650 1.00 4.29 H new ATOM 0 HB3 ALA A 77 9.617 22.364 2.584 1.00 4.29 H new ATOM 1171 N ALA A 78 7.858 22.883 4.464 1.00 4.20 N ATOM 1172 CA ALA A 78 7.023 23.853 5.171 1.00 5.03 C ATOM 1173 C ALA A 78 6.380 24.804 4.173 1.00 5.55 C ATOM 1174 O ALA A 78 5.182 24.726 3.899 1.00 5.99 O ATOM 1175 CB ALA A 78 7.832 24.639 6.198 1.00 5.72 C ATOM 0 H ALA A 78 7.861 23.003 3.451 1.00 4.20 H new ATOM 0 HA ALA A 78 6.246 23.307 5.705 1.00 5.03 H new ATOM 0 HB1 ALA A 78 7.182 25.351 6.706 1.00 5.72 H new ATOM 0 HB2 ALA A 78 8.258 23.952 6.929 1.00 5.72 H new ATOM 0 HB3 ALA A 78 8.635 25.177 5.694 1.00 5.72 H new ATOM 1181 N ALA A 79 7.194 25.682 3.610 1.00 5.86 N ATOM 1182 CA ALA A 79 6.722 26.642 2.627 1.00 6.63 C ATOM 1183 C ALA A 79 7.641 26.650 1.416 1.00 7.15 C ATOM 1184 O ALA A 79 8.081 27.703 0.956 1.00 7.46 O ATOM 1185 CB ALA A 79 6.633 28.031 3.241 1.00 6.90 C ATOM 0 H ALA A 79 8.190 25.749 3.819 1.00 5.86 H new ATOM 0 HA ALA A 79 5.724 26.347 2.302 1.00 6.63 H new ATOM 0 HB1 ALA A 79 6.278 28.738 2.491 1.00 6.90 H new ATOM 0 HB2 ALA A 79 5.939 28.014 4.081 1.00 6.90 H new ATOM 0 HB3 ALA A 79 7.619 28.338 3.591 1.00 6.90 H new ATOM 1191 N LYS A 80 7.939 25.460 0.911 1.00 7.55 N ATOM 1192 CA LYS A 80 8.801 25.314 -0.252 1.00 8.34 C ATOM 1193 C LYS A 80 8.040 24.631 -1.380 1.00 8.95 C ATOM 1194 O LYS A 80 8.290 23.465 -1.688 1.00 9.25 O ATOM 1195 CB LYS A 80 10.049 24.487 0.091 1.00 8.77 C ATOM 1196 CG LYS A 80 10.896 25.048 1.221 1.00 9.05 C ATOM 1197 CD LYS A 80 11.487 26.407 0.878 1.00 9.51 C ATOM 1198 CE LYS A 80 12.399 26.908 1.990 1.00 10.08 C ATOM 1199 NZ LYS A 80 13.622 26.070 2.127 1.00 10.73 N ATOM 0 H LYS A 80 7.594 24.579 1.292 1.00 7.55 H new ATOM 0 HA LYS A 80 9.115 26.309 -0.568 1.00 8.34 H new ATOM 0 HB2 LYS A 80 9.736 23.477 0.357 1.00 8.77 H new ATOM 0 HB3 LYS A 80 10.669 24.404 -0.802 1.00 8.77 H new ATOM 0 HG2 LYS A 80 10.286 25.136 2.120 1.00 9.05 H new ATOM 0 HG3 LYS A 80 11.702 24.351 1.449 1.00 9.05 H new ATOM 0 HD2 LYS A 80 12.049 26.337 -0.053 1.00 9.51 H new ATOM 0 HD3 LYS A 80 10.683 27.125 0.712 1.00 9.51 H new ATOM 0 HE2 LYS A 80 12.687 27.939 1.786 1.00 10.08 H new ATOM 0 HE3 LYS A 80 11.853 26.910 2.933 1.00 10.08 H new ATOM 0 HZ1 LYS A 80 14.319 26.567 2.717 1.00 10.73 H new ATOM 0 HZ2 LYS A 80 13.374 25.164 2.573 1.00 10.73 H new ATOM 0 HZ3 LYS A 80 14.029 25.893 1.186 1.00 10.73 H new ATOM 1213 N ASP A 81 7.104 25.347 -1.988 1.00 9.36 N ATOM 1214 CA ASP A 81 6.328 24.788 -3.085 1.00 10.16 C ATOM 1215 C ASP A 81 7.065 25.005 -4.394 1.00 10.60 C ATOM 1216 O ASP A 81 7.084 26.112 -4.942 1.00 11.03 O ATOM 1217 CB ASP A 81 4.931 25.413 -3.150 1.00 10.60 C ATOM 1218 CG ASP A 81 4.018 24.692 -4.126 1.00 11.07 C ATOM 1219 OD1 ASP A 81 3.353 23.713 -3.725 1.00 11.19 O ATOM 1220 OD2 ASP A 81 3.972 25.092 -5.311 1.00 11.50 O ATOM 0 H ASP A 81 6.865 26.308 -1.743 1.00 9.36 H new ATOM 0 HA ASP A 81 6.206 23.719 -2.912 1.00 10.16 H new ATOM 0 HB2 ASP A 81 4.482 25.396 -2.157 1.00 10.60 H new ATOM 0 HB3 ASP A 81 5.018 26.459 -3.443 1.00 10.60 H new ATOM 1225 N GLY A 82 7.695 23.947 -4.867 1.00 10.72 N ATOM 1226 CA GLY A 82 8.483 24.011 -6.074 1.00 11.37 C ATOM 1227 C GLY A 82 9.363 22.790 -6.201 1.00 11.77 C ATOM 1228 O GLY A 82 8.955 21.716 -5.701 1.00 12.00 O ATOM 1229 OXT GLY A 82 10.470 22.896 -6.769 1.00 12.03 O ATOM 0 H GLY A 82 7.673 23.027 -4.426 1.00 10.72 H new ATOM 0 HA2 GLY A 82 7.825 24.083 -6.940 1.00 11.37 H new ATOM 0 HA3 GLY A 82 9.099 24.910 -6.065 1.00 11.37 H new TER 1233 GLY A 82