USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 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 -70:sc= 1.98 USER MOD Set 1.2: A 26 THR OG1 : rot -92:sc= 1.28 USER MOD Set 2.1: A 11 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.046) USER MOD Set 2.2: A 15 SER OG : rot -170: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 153:sc= -0.159 (180deg=-1.35) USER MOD Single : A 14 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.8!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0.788 K(o=0.79,f=-6.2!) USER MOD Single : A 27 GLN : amide:sc= -5.4! K(o=-5.4!,f=-0.9) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 32:sc= 0.0482 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.527) USER MOD Single : A 47 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 64:sc= 0.74 USER MOD Single : A 52 SER OG : rot -15:sc= 1.13 USER MOD Single : A 58 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.033) USER MOD Single : A 60 THR OG1 : rot -79:sc= 0.0431 USER MOD Single : A 64 TYR OH : rot 180:sc= 0.648 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,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 -5.292 -6.964 -5.549 1.00 0.57 N ATOM 32 CA GLU A 3 -4.572 -6.988 -4.289 1.00 0.47 C ATOM 33 C GLU A 3 -3.329 -7.849 -4.390 1.00 0.42 C ATOM 34 O GLU A 3 -3.230 -8.725 -5.246 1.00 0.50 O ATOM 35 CB GLU A 3 -5.458 -7.513 -3.164 1.00 0.58 C ATOM 36 CG GLU A 3 -6.702 -6.683 -2.918 1.00 0.70 C ATOM 37 CD GLU A 3 -7.463 -7.162 -1.705 1.00 1.26 C ATOM 38 OE1 GLU A 3 -7.894 -8.334 -1.690 1.00 1.35 O ATOM 39 OE2 GLU A 3 -7.649 -6.363 -0.762 1.00 1.99 O ATOM 0 HA GLU A 3 -4.278 -5.963 -4.063 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.756 -8.535 -3.398 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.874 -7.554 -2.245 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.421 -5.638 -2.782 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.349 -6.728 -3.794 1.00 0.70 H new ATOM 46 N TRP A 4 -2.391 -7.592 -3.502 1.00 0.36 N ATOM 47 CA TRP A 4 -1.183 -8.387 -3.400 1.00 0.38 C ATOM 48 C TRP A 4 -0.881 -8.647 -1.938 1.00 0.34 C ATOM 49 O TRP A 4 -1.307 -7.882 -1.066 1.00 0.34 O ATOM 50 CB TRP A 4 0.001 -7.678 -4.068 1.00 0.45 C ATOM 51 CG TRP A 4 -0.107 -7.613 -5.564 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.215 -8.601 -6.450 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.561 -6.502 -6.349 1.00 0.51 C ATOM 54 NE1 TRP A 4 -0.021 -8.179 -7.735 1.00 1.17 N ATOM 55 CE2 TRP A 4 -0.493 -6.893 -7.701 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.020 -5.220 -6.041 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -0.867 -6.045 -8.740 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.390 -4.380 -7.074 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.313 -4.795 -8.409 1.00 0.65 C ATOM 0 H TRP A 4 -2.444 -6.826 -2.830 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.339 -9.334 -3.917 1.00 0.38 H new ATOM 0 HB2 TRP A 4 0.078 -6.665 -3.673 1.00 0.45 H new ATOM 0 HB3 TRP A 4 0.922 -8.195 -3.800 1.00 0.45 H new ATOM 0 HD1 TRP A 4 0.599 -9.573 -6.179 1.00 1.00 H new ATOM 0 HE1 TRP A 4 0.130 -8.733 -8.578 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.085 -4.891 -5.014 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -0.807 -6.363 -9.770 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -1.745 -3.385 -6.847 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -1.612 -4.115 -9.193 1.00 0.65 H new ATOM 70 N THR A 5 -0.163 -9.720 -1.662 1.00 0.37 N ATOM 71 CA THR A 5 0.227 -10.019 -0.300 1.00 0.39 C ATOM 72 C THR A 5 1.629 -9.482 -0.072 1.00 0.35 C ATOM 73 O THR A 5 2.623 -10.114 -0.440 1.00 0.44 O ATOM 74 CB THR A 5 0.180 -11.532 -0.020 1.00 0.55 C ATOM 75 OG1 THR A 5 -1.023 -12.085 -0.575 1.00 1.13 O ATOM 76 CG2 THR A 5 0.223 -11.807 1.475 1.00 1.11 C ATOM 0 H THR A 5 0.159 -10.393 -2.358 1.00 0.37 H new ATOM 0 HA THR A 5 -0.475 -9.543 0.385 1.00 0.39 H new ATOM 0 HB THR A 5 1.050 -11.997 -0.483 1.00 0.55 H new ATOM 0 HG1 THR A 5 -1.052 -13.048 -0.398 1.00 1.13 H new ATOM 0 HG21 THR A 5 0.189 -12.883 1.648 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.144 -11.401 1.893 1.00 1.11 H new ATOM 0 HG23 THR A 5 -0.633 -11.334 1.957 1.00 1.11 H new ATOM 84 N LEU A 6 1.692 -8.311 0.531 1.00 0.30 N ATOM 85 CA LEU A 6 2.927 -7.559 0.625 1.00 0.34 C ATOM 86 C LEU A 6 3.625 -7.820 1.947 1.00 0.42 C ATOM 87 O LEU A 6 3.079 -7.550 3.020 1.00 0.75 O ATOM 88 CB LEU A 6 2.636 -6.065 0.464 1.00 0.42 C ATOM 89 CG LEU A 6 1.924 -5.689 -0.838 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.534 -4.220 -0.830 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.811 -6.004 -2.034 1.00 0.53 C ATOM 0 H LEU A 6 0.891 -7.856 0.968 1.00 0.30 H new ATOM 0 HA LEU A 6 3.592 -7.884 -0.175 1.00 0.34 H new ATOM 0 HB2 LEU A 6 2.025 -5.735 1.304 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.577 -5.517 0.519 1.00 0.42 H new ATOM 0 HG LEU A 6 1.012 -6.281 -0.919 1.00 0.47 H new ATOM 0 HD11 LEU A 6 1.029 -3.972 -1.764 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.864 -4.026 0.007 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.429 -3.606 -0.728 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.292 -5.732 -2.953 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.738 -5.436 -1.959 1.00 0.53 H new ATOM 0 HD23 LEU A 6 3.038 -7.070 -2.048 1.00 0.53 H new ATOM 103 N ASP A 7 4.825 -8.364 1.865 1.00 0.38 N ATOM 104 CA ASP A 7 5.640 -8.575 3.044 1.00 0.44 C ATOM 105 C ASP A 7 6.574 -7.388 3.217 1.00 0.39 C ATOM 106 O ASP A 7 7.613 -7.300 2.562 1.00 0.46 O ATOM 107 CB ASP A 7 6.442 -9.871 2.920 1.00 0.58 C ATOM 108 CG ASP A 7 7.071 -10.285 4.232 1.00 1.30 C ATOM 109 OD1 ASP A 7 6.378 -10.893 5.073 1.00 1.67 O ATOM 110 OD2 ASP A 7 8.269 -9.994 4.429 1.00 2.12 O ATOM 0 H ASP A 7 5.256 -8.668 0.992 1.00 0.38 H new ATOM 0 HA ASP A 7 4.995 -8.663 3.918 1.00 0.44 H new ATOM 0 HB2 ASP A 7 5.788 -10.668 2.566 1.00 0.58 H new ATOM 0 HB3 ASP A 7 7.223 -9.742 2.170 1.00 0.58 H new ATOM 115 N ILE A 8 6.187 -6.460 4.080 1.00 0.35 N ATOM 116 CA ILE A 8 6.936 -5.227 4.263 1.00 0.32 C ATOM 117 C ILE A 8 7.702 -5.248 5.582 1.00 0.30 C ATOM 118 O ILE A 8 7.136 -5.551 6.635 1.00 0.35 O ATOM 119 CB ILE A 8 5.994 -4.000 4.228 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.250 -3.939 2.890 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.767 -2.708 4.466 1.00 0.44 C ATOM 122 CD1 ILE A 8 6.162 -3.820 1.687 1.00 0.91 C ATOM 0 H ILE A 8 5.356 -6.539 4.666 1.00 0.35 H new ATOM 0 HA ILE A 8 7.649 -5.148 3.442 1.00 0.32 H new ATOM 0 HB ILE A 8 5.265 -4.109 5.031 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.639 -4.836 2.784 1.00 0.52 H new ATOM 0 HG13 ILE A 8 4.568 -3.089 2.903 1.00 0.52 H new ATOM 0 HG21 ILE A 8 6.080 -1.862 4.436 1.00 0.44 H new ATOM 0 HG22 ILE A 8 7.251 -2.748 5.442 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.524 -2.589 3.691 1.00 0.44 H new ATOM 0 HD11 ILE A 8 5.562 -3.782 0.778 1.00 0.91 H new ATOM 0 HD12 ILE A 8 6.755 -2.909 1.769 1.00 0.91 H new ATOM 0 HD13 ILE A 8 6.827 -4.683 1.648 1.00 0.91 H new ATOM 134 N PRO A 9 9.014 -4.969 5.525 1.00 0.26 N ATOM 135 CA PRO A 9 9.867 -4.873 6.714 1.00 0.26 C ATOM 136 C PRO A 9 9.506 -3.685 7.604 1.00 0.27 C ATOM 137 O PRO A 9 8.955 -2.684 7.141 1.00 0.32 O ATOM 138 CB PRO A 9 11.279 -4.684 6.136 1.00 0.29 C ATOM 139 CG PRO A 9 11.178 -5.102 4.712 1.00 0.35 C ATOM 140 CD PRO A 9 9.782 -4.763 4.289 1.00 0.29 C ATOM 0 HA PRO A 9 9.761 -5.752 7.350 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.603 -3.647 6.220 1.00 0.29 H new ATOM 0 HB3 PRO A 9 12.009 -5.290 6.673 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.911 -4.580 4.098 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.372 -6.169 4.602 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.705 -3.737 3.930 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.434 -5.409 3.483 1.00 0.29 H new ATOM 148 N ALA A 10 9.841 -3.800 8.880 1.00 0.30 N ATOM 149 CA ALA A 10 9.572 -2.746 9.849 1.00 0.33 C ATOM 150 C ALA A 10 10.863 -2.020 10.188 1.00 0.35 C ATOM 151 O ALA A 10 11.043 -1.501 11.292 1.00 0.43 O ATOM 152 CB ALA A 10 8.931 -3.328 11.100 1.00 0.41 C ATOM 0 H ALA A 10 10.304 -4.620 9.272 1.00 0.30 H new ATOM 0 HA ALA A 10 8.874 -2.030 9.416 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.736 -2.528 11.815 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.992 -3.815 10.835 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.605 -4.058 11.548 1.00 0.41 H new ATOM 158 N GLN A 11 11.751 -1.989 9.212 1.00 0.34 N ATOM 159 CA GLN A 11 13.063 -1.393 9.371 1.00 0.40 C ATOM 160 C GLN A 11 13.077 -0.008 8.739 1.00 0.35 C ATOM 161 O GLN A 11 12.017 0.576 8.490 1.00 0.37 O ATOM 162 CB GLN A 11 14.120 -2.280 8.705 1.00 0.53 C ATOM 163 CG GLN A 11 14.177 -3.697 9.264 1.00 0.96 C ATOM 164 CD GLN A 11 15.047 -4.627 8.436 1.00 0.90 C ATOM 165 OE1 GLN A 11 15.652 -5.560 8.960 1.00 1.61 O ATOM 166 NE2 GLN A 11 15.112 -4.383 7.136 1.00 0.90 N ATOM 0 H GLN A 11 11.582 -2.378 8.284 1.00 0.34 H new ATOM 0 HA GLN A 11 13.291 -1.304 10.433 1.00 0.40 H new ATOM 0 HB2 GLN A 11 13.917 -2.330 7.635 1.00 0.53 H new ATOM 0 HB3 GLN A 11 15.098 -1.814 8.823 1.00 0.53 H new ATOM 0 HG2 GLN A 11 14.559 -3.664 10.284 1.00 0.96 H new ATOM 0 HG3 GLN A 11 13.167 -4.103 9.315 1.00 0.96 H new ATOM 0 HE21 GLN A 11 14.595 -3.599 6.738 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.679 -4.979 6.533 1.00 0.90 H new ATOM 175 N SER A 12 14.268 0.515 8.489 1.00 0.38 N ATOM 176 CA SER A 12 14.414 1.776 7.784 1.00 0.40 C ATOM 177 C SER A 12 13.723 1.696 6.419 1.00 0.36 C ATOM 178 O SER A 12 13.746 0.651 5.754 1.00 0.34 O ATOM 179 CB SER A 12 15.901 2.101 7.616 1.00 0.50 C ATOM 180 OG SER A 12 16.577 2.048 8.865 1.00 1.30 O ATOM 0 H SER A 12 15.149 0.082 8.766 1.00 0.38 H new ATOM 0 HA SER A 12 13.943 2.571 8.362 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.355 1.394 6.922 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.013 3.093 7.179 1.00 0.50 H new ATOM 0 HG SER A 12 17.525 2.257 8.733 1.00 1.30 H new ATOM 186 N MET A 13 13.097 2.811 6.034 1.00 0.42 N ATOM 187 CA MET A 13 12.359 2.934 4.769 1.00 0.46 C ATOM 188 C MET A 13 13.140 2.404 3.571 1.00 0.42 C ATOM 189 O MET A 13 12.541 1.989 2.580 1.00 0.45 O ATOM 190 CB MET A 13 11.983 4.398 4.517 1.00 0.61 C ATOM 191 CG MET A 13 10.664 4.808 5.148 1.00 0.68 C ATOM 192 SD MET A 13 10.355 6.578 5.029 1.00 1.29 S ATOM 193 CE MET A 13 8.667 6.666 5.625 1.00 1.00 C ATOM 0 H MET A 13 13.087 3.663 6.595 1.00 0.42 H new ATOM 0 HA MET A 13 11.463 2.323 4.873 1.00 0.46 H new ATOM 0 HB2 MET A 13 12.775 5.039 4.904 1.00 0.61 H new ATOM 0 HB3 MET A 13 11.930 4.570 3.442 1.00 0.61 H new ATOM 0 HG2 MET A 13 9.851 4.268 4.663 1.00 0.68 H new ATOM 0 HG3 MET A 13 10.661 4.513 6.197 1.00 0.68 H new ATOM 0 HE1 MET A 13 8.486 7.648 6.062 1.00 1.00 H new ATOM 0 HE2 MET A 13 7.979 6.506 4.795 1.00 1.00 H new ATOM 0 HE3 MET A 13 8.508 5.898 6.381 1.00 1.00 H new ATOM 203 N ASN A 14 14.464 2.428 3.665 1.00 0.41 N ATOM 204 CA ASN A 14 15.330 1.926 2.601 1.00 0.45 C ATOM 205 C ASN A 14 14.947 0.504 2.203 1.00 0.41 C ATOM 206 O ASN A 14 14.803 0.202 1.016 1.00 0.47 O ATOM 207 CB ASN A 14 16.799 1.950 3.033 1.00 0.52 C ATOM 208 CG ASN A 14 17.339 3.348 3.268 1.00 1.32 C ATOM 209 OD1 ASN A 14 16.613 4.257 3.673 1.00 2.26 O ATOM 210 ND2 ASN A 14 18.626 3.530 3.018 1.00 1.85 N ATOM 0 H ASN A 14 14.966 2.793 4.474 1.00 0.41 H new ATOM 0 HA ASN A 14 15.198 2.583 1.741 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.910 1.368 3.948 1.00 0.52 H new ATOM 0 HB3 ASN A 14 17.402 1.460 2.269 1.00 0.52 H new ATOM 0 HD21 ASN A 14 19.048 4.448 3.160 1.00 1.85 H new ATOM 0 HD22 ASN A 14 19.195 2.753 2.684 1.00 1.85 H new ATOM 217 N SER A 15 14.749 -0.358 3.194 1.00 0.36 N ATOM 218 CA SER A 15 14.452 -1.758 2.936 1.00 0.36 C ATOM 219 C SER A 15 12.984 -1.934 2.566 1.00 0.32 C ATOM 220 O SER A 15 12.652 -2.672 1.640 1.00 0.32 O ATOM 221 CB SER A 15 14.779 -2.605 4.169 1.00 0.38 C ATOM 222 OG SER A 15 16.068 -2.297 4.670 1.00 1.20 O ATOM 0 H SER A 15 14.789 -0.110 4.183 1.00 0.36 H new ATOM 0 HA SER A 15 15.068 -2.090 2.100 1.00 0.36 H new ATOM 0 HB2 SER A 15 14.032 -2.429 4.944 1.00 0.38 H new ATOM 0 HB3 SER A 15 14.728 -3.663 3.912 1.00 0.38 H new ATOM 0 HG SER A 15 16.319 -2.953 5.354 1.00 1.20 H new ATOM 228 N ALA A 16 12.115 -1.238 3.294 1.00 0.31 N ATOM 229 CA ALA A 16 10.673 -1.347 3.092 1.00 0.32 C ATOM 230 C ALA A 16 10.265 -0.940 1.676 1.00 0.30 C ATOM 231 O ALA A 16 9.520 -1.660 1.012 1.00 0.29 O ATOM 232 CB ALA A 16 9.937 -0.498 4.116 1.00 0.38 C ATOM 0 H ALA A 16 12.386 -0.589 4.033 1.00 0.31 H new ATOM 0 HA ALA A 16 10.398 -2.393 3.225 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.862 -0.586 3.957 1.00 0.38 H new ATOM 0 HB2 ALA A 16 10.185 -0.843 5.120 1.00 0.38 H new ATOM 0 HB3 ALA A 16 10.236 0.545 4.006 1.00 0.38 H new ATOM 238 N LEU A 17 10.764 0.200 1.216 1.00 0.31 N ATOM 239 CA LEU A 17 10.412 0.700 -0.107 1.00 0.33 C ATOM 240 C LEU A 17 10.989 -0.202 -1.195 1.00 0.32 C ATOM 241 O LEU A 17 10.337 -0.469 -2.203 1.00 0.35 O ATOM 242 CB LEU A 17 10.897 2.141 -0.280 1.00 0.38 C ATOM 243 CG LEU A 17 10.271 3.144 0.695 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.871 4.525 0.503 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.758 3.190 0.521 1.00 0.73 C ATOM 0 H LEU A 17 11.410 0.793 1.736 1.00 0.31 H new ATOM 0 HA LEU A 17 9.326 0.691 -0.202 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.980 2.163 -0.159 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.684 2.463 -1.299 1.00 0.38 H new ATOM 0 HG LEU A 17 10.490 2.813 1.710 1.00 0.46 H new ATOM 0 HD11 LEU A 17 10.413 5.222 1.205 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.945 4.483 0.683 1.00 0.92 H new ATOM 0 HD13 LEU A 17 10.687 4.863 -0.517 1.00 0.92 H new ATOM 0 HD21 LEU A 17 8.333 3.908 1.222 1.00 0.73 H new ATOM 0 HD22 LEU A 17 8.518 3.493 -0.498 1.00 0.73 H new ATOM 0 HD23 LEU A 17 8.339 2.202 0.714 1.00 0.73 H new ATOM 257 N GLN A 18 12.198 -0.692 -0.970 1.00 0.34 N ATOM 258 CA GLN A 18 12.832 -1.623 -1.893 1.00 0.39 C ATOM 259 C GLN A 18 12.016 -2.910 -2.003 1.00 0.33 C ATOM 260 O GLN A 18 11.808 -3.439 -3.096 1.00 0.34 O ATOM 261 CB GLN A 18 14.254 -1.937 -1.423 1.00 0.49 C ATOM 262 CG GLN A 18 14.901 -3.112 -2.140 1.00 1.07 C ATOM 263 CD GLN A 18 16.276 -3.431 -1.599 1.00 1.51 C ATOM 264 OE1 GLN A 18 17.003 -2.545 -1.151 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.632 -4.701 -1.611 1.00 2.19 N ATOM 0 H GLN A 18 12.763 -0.460 -0.153 1.00 0.34 H new ATOM 0 HA GLN A 18 12.878 -1.160 -2.879 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.875 -1.053 -1.564 1.00 0.49 H new ATOM 0 HB3 GLN A 18 14.234 -2.145 -0.353 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.262 -3.990 -2.042 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.975 -2.889 -3.204 1.00 1.07 H new ATOM 0 HE21 GLN A 18 15.999 -5.404 -1.992 1.00 2.19 H new ATOM 0 HE22 GLN A 18 17.540 -4.980 -1.239 1.00 2.19 H new ATOM 274 N ALA A 19 11.550 -3.397 -0.865 1.00 0.29 N ATOM 275 CA ALA A 19 10.753 -4.610 -0.823 1.00 0.28 C ATOM 276 C ALA A 19 9.408 -4.404 -1.503 1.00 0.26 C ATOM 277 O ALA A 19 8.938 -5.272 -2.238 1.00 0.28 O ATOM 278 CB ALA A 19 10.556 -5.066 0.615 1.00 0.31 C ATOM 0 H ALA A 19 11.711 -2.968 0.046 1.00 0.29 H new ATOM 0 HA ALA A 19 11.291 -5.387 -1.366 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.957 -5.976 0.629 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.526 -5.263 1.070 1.00 0.31 H new ATOM 0 HB3 ALA A 19 10.044 -4.285 1.177 1.00 0.31 H new ATOM 284 N LEU A 20 8.798 -3.250 -1.266 1.00 0.27 N ATOM 285 CA LEU A 20 7.477 -2.949 -1.809 1.00 0.32 C ATOM 286 C LEU A 20 7.523 -2.849 -3.332 1.00 0.33 C ATOM 287 O LEU A 20 6.628 -3.339 -4.027 1.00 0.36 O ATOM 288 CB LEU A 20 6.949 -1.640 -1.214 1.00 0.38 C ATOM 289 CG LEU A 20 5.555 -1.215 -1.685 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.516 -2.256 -1.293 1.00 1.03 C ATOM 291 CD2 LEU A 20 5.195 0.144 -1.107 1.00 0.95 C ATOM 0 H LEU A 20 9.198 -2.503 -0.699 1.00 0.27 H new ATOM 0 HA LEU A 20 6.804 -3.763 -1.539 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.933 -1.736 -0.128 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.653 -0.843 -1.453 1.00 0.38 H new ATOM 0 HG LEU A 20 5.566 -1.138 -2.772 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.532 -1.936 -1.637 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.767 -3.212 -1.753 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.503 -2.367 -0.209 1.00 1.03 H new ATOM 0 HD21 LEU A 20 4.202 0.434 -1.450 1.00 0.95 H new ATOM 0 HD22 LEU A 20 5.201 0.090 -0.018 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.923 0.885 -1.438 1.00 0.95 H new ATOM 303 N ALA A 21 8.589 -2.237 -3.834 1.00 0.33 N ATOM 304 CA ALA A 21 8.727 -1.970 -5.257 1.00 0.39 C ATOM 305 C ALA A 21 8.779 -3.269 -6.049 1.00 0.38 C ATOM 306 O ALA A 21 7.981 -3.491 -6.960 1.00 0.44 O ATOM 307 CB ALA A 21 9.971 -1.135 -5.522 1.00 0.44 C ATOM 0 H ALA A 21 9.375 -1.915 -3.270 1.00 0.33 H new ATOM 0 HA ALA A 21 7.853 -1.407 -5.585 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.060 -0.944 -6.591 1.00 0.44 H new ATOM 0 HB2 ALA A 21 9.893 -0.187 -4.989 1.00 0.44 H new ATOM 0 HB3 ALA A 21 10.852 -1.675 -5.175 1.00 0.44 H new ATOM 313 N LYS A 22 9.712 -4.136 -5.670 1.00 0.36 N ATOM 314 CA LYS A 22 9.943 -5.390 -6.382 1.00 0.42 C ATOM 315 C LYS A 22 8.757 -6.349 -6.258 1.00 0.37 C ATOM 316 O LYS A 22 8.599 -7.256 -7.074 1.00 0.47 O ATOM 317 CB LYS A 22 11.223 -6.058 -5.872 1.00 0.53 C ATOM 318 CG LYS A 22 12.462 -5.194 -6.051 1.00 1.22 C ATOM 319 CD LYS A 22 13.720 -5.901 -5.570 1.00 1.84 C ATOM 320 CE LYS A 22 14.931 -4.986 -5.648 1.00 2.65 C ATOM 321 NZ LYS A 22 16.179 -5.665 -5.207 1.00 3.41 N ATOM 0 H LYS A 22 10.325 -3.992 -4.868 1.00 0.36 H new ATOM 0 HA LYS A 22 10.057 -5.150 -7.439 1.00 0.42 H new ATOM 0 HB2 LYS A 22 11.104 -6.297 -4.815 1.00 0.53 H new ATOM 0 HB3 LYS A 22 11.367 -7.002 -6.398 1.00 0.53 H new ATOM 0 HG2 LYS A 22 12.573 -4.931 -7.103 1.00 1.22 H new ATOM 0 HG3 LYS A 22 12.337 -4.261 -5.501 1.00 1.22 H new ATOM 0 HD2 LYS A 22 13.581 -6.237 -4.542 1.00 1.84 H new ATOM 0 HD3 LYS A 22 13.894 -6.791 -6.175 1.00 1.84 H new ATOM 0 HE2 LYS A 22 15.053 -4.635 -6.673 1.00 2.65 H new ATOM 0 HE3 LYS A 22 14.760 -4.106 -5.028 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 16.978 -5.003 -5.277 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 16.074 -5.978 -4.221 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 16.359 -6.490 -5.814 1.00 3.41 H new ATOM 335 N GLN A 23 7.925 -6.150 -5.237 1.00 0.33 N ATOM 336 CA GLN A 23 6.762 -7.009 -5.026 1.00 0.39 C ATOM 337 C GLN A 23 5.593 -6.604 -5.918 1.00 0.40 C ATOM 338 O GLN A 23 4.731 -7.426 -6.224 1.00 0.49 O ATOM 339 CB GLN A 23 6.314 -6.984 -3.562 1.00 0.52 C ATOM 340 CG GLN A 23 7.217 -7.772 -2.627 1.00 0.76 C ATOM 341 CD GLN A 23 6.751 -7.716 -1.183 1.00 0.78 C ATOM 342 OE1 GLN A 23 5.973 -8.555 -0.732 1.00 1.52 O ATOM 343 NE2 GLN A 23 7.224 -6.725 -0.449 1.00 1.29 N ATOM 0 H GLN A 23 8.034 -5.406 -4.547 1.00 0.33 H new ATOM 0 HA GLN A 23 7.068 -8.021 -5.290 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.272 -5.949 -3.223 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.302 -7.383 -3.495 1.00 0.52 H new ATOM 0 HG2 GLN A 23 7.254 -8.811 -2.953 1.00 0.76 H new ATOM 0 HG3 GLN A 23 8.232 -7.381 -2.693 1.00 0.76 H new ATOM 0 HE21 GLN A 23 7.868 -6.049 -0.859 1.00 1.29 H new ATOM 0 HE22 GLN A 23 6.946 -6.636 0.528 1.00 1.29 H new ATOM 352 N THR A 24 5.560 -5.345 -6.336 1.00 0.38 N ATOM 353 CA THR A 24 4.444 -4.855 -7.136 1.00 0.47 C ATOM 354 C THR A 24 4.894 -4.399 -8.521 1.00 0.48 C ATOM 355 O THR A 24 4.086 -3.899 -9.309 1.00 0.76 O ATOM 356 CB THR A 24 3.725 -3.694 -6.426 1.00 0.54 C ATOM 357 OG1 THR A 24 4.687 -2.743 -5.945 1.00 0.62 O ATOM 358 CG2 THR A 24 2.885 -4.199 -5.263 1.00 0.62 C ATOM 0 H THR A 24 6.282 -4.653 -6.138 1.00 0.38 H new ATOM 0 HA THR A 24 3.753 -5.690 -7.255 1.00 0.47 H new ATOM 0 HB THR A 24 3.064 -3.215 -7.148 1.00 0.54 H new ATOM 0 HG1 THR A 24 5.190 -3.135 -5.201 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.389 -3.357 -4.780 1.00 0.62 H new ATOM 0 HG22 THR A 24 2.135 -4.899 -5.632 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.528 -4.703 -4.542 1.00 0.62 H new ATOM 366 N ASP A 25 6.183 -4.584 -8.809 1.00 0.41 N ATOM 367 CA ASP A 25 6.777 -4.166 -10.083 1.00 0.49 C ATOM 368 C ASP A 25 6.593 -2.672 -10.307 1.00 0.49 C ATOM 369 O ASP A 25 6.434 -2.218 -11.444 1.00 0.72 O ATOM 370 CB ASP A 25 6.170 -4.935 -11.260 1.00 0.68 C ATOM 371 CG ASP A 25 6.626 -6.373 -11.327 1.00 1.29 C ATOM 372 OD1 ASP A 25 7.723 -6.631 -11.860 1.00 1.57 O ATOM 373 OD2 ASP A 25 5.896 -7.255 -10.832 1.00 2.11 O ATOM 0 H ASP A 25 6.844 -5.026 -8.170 1.00 0.41 H new ATOM 0 HA ASP A 25 7.842 -4.391 -10.029 1.00 0.49 H new ATOM 0 HB2 ASP A 25 5.083 -4.908 -11.182 1.00 0.68 H new ATOM 0 HB3 ASP A 25 6.435 -4.432 -12.190 1.00 0.68 H new ATOM 378 N THR A 26 6.622 -1.912 -9.227 1.00 0.34 N ATOM 379 CA THR A 26 6.393 -0.480 -9.299 1.00 0.40 C ATOM 380 C THR A 26 7.698 0.288 -9.149 1.00 0.38 C ATOM 381 O THR A 26 8.707 -0.257 -8.694 1.00 0.40 O ATOM 382 CB THR A 26 5.403 -0.023 -8.211 1.00 0.46 C ATOM 383 OG1 THR A 26 5.828 -0.502 -6.927 1.00 0.76 O ATOM 384 CG2 THR A 26 4.000 -0.525 -8.508 1.00 0.72 C ATOM 0 H THR A 26 6.802 -2.264 -8.287 1.00 0.34 H new ATOM 0 HA THR A 26 5.966 -0.268 -10.279 1.00 0.40 H new ATOM 0 HB THR A 26 5.385 1.067 -8.203 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.402 -1.365 -6.743 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.320 -0.189 -7.725 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.669 -0.132 -9.469 1.00 0.72 H new ATOM 0 HG23 THR A 26 4.003 -1.614 -8.543 1.00 0.72 H new ATOM 392 N GLN A 27 7.681 1.547 -9.550 1.00 0.41 N ATOM 393 CA GLN A 27 8.828 2.414 -9.378 1.00 0.44 C ATOM 394 C GLN A 27 8.560 3.394 -8.251 1.00 0.46 C ATOM 395 O GLN A 27 7.648 4.222 -8.343 1.00 0.47 O ATOM 396 CB GLN A 27 9.132 3.172 -10.671 1.00 0.50 C ATOM 397 CG GLN A 27 10.360 4.074 -10.595 1.00 1.05 C ATOM 398 CD GLN A 27 11.677 3.316 -10.639 1.00 1.67 C ATOM 399 OE1 GLN A 27 12.678 3.830 -11.140 1.00 2.39 O ATOM 400 NE2 GLN A 27 11.698 2.097 -10.119 1.00 2.31 N ATOM 0 H GLN A 27 6.880 1.991 -9.999 1.00 0.41 H new ATOM 0 HA GLN A 27 9.695 1.803 -9.128 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.274 2.451 -11.476 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.266 3.779 -10.935 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.331 4.783 -11.422 1.00 1.05 H new ATOM 0 HG3 GLN A 27 10.316 4.656 -9.674 1.00 1.05 H new ATOM 0 HE21 GLN A 27 10.850 1.702 -9.712 1.00 2.31 H new ATOM 0 HE22 GLN A 27 12.562 1.554 -10.126 1.00 2.31 H new ATOM 409 N LEU A 28 9.346 3.300 -7.197 1.00 0.51 N ATOM 410 CA LEU A 28 9.177 4.165 -6.048 1.00 0.55 C ATOM 411 C LEU A 28 10.279 5.212 -6.034 1.00 0.58 C ATOM 412 O LEU A 28 11.460 4.887 -5.889 1.00 0.71 O ATOM 413 CB LEU A 28 9.194 3.353 -4.748 1.00 0.69 C ATOM 414 CG LEU A 28 8.120 2.262 -4.642 1.00 0.78 C ATOM 415 CD1 LEU A 28 8.191 1.578 -3.287 1.00 1.51 C ATOM 416 CD2 LEU A 28 6.733 2.843 -4.873 1.00 1.30 C ATOM 0 H LEU A 28 10.111 2.630 -7.113 1.00 0.51 H new ATOM 0 HA LEU A 28 8.210 4.662 -6.120 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.174 2.887 -4.643 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.076 4.039 -3.909 1.00 0.69 H new ATOM 0 HG LEU A 28 8.311 1.520 -5.417 1.00 0.78 H new ATOM 0 HD11 LEU A 28 7.423 0.807 -3.228 1.00 1.51 H new ATOM 0 HD12 LEU A 28 9.173 1.122 -3.160 1.00 1.51 H new ATOM 0 HD13 LEU A 28 8.028 2.313 -2.499 1.00 1.51 H new ATOM 0 HD21 LEU A 28 5.989 2.051 -4.793 1.00 1.30 H new ATOM 0 HD22 LEU A 28 6.530 3.609 -4.124 1.00 1.30 H new ATOM 0 HD23 LEU A 28 6.685 3.286 -5.868 1.00 1.30 H new ATOM 428 N LEU A 29 9.891 6.462 -6.199 1.00 0.53 N ATOM 429 CA LEU A 29 10.841 7.552 -6.260 1.00 0.60 C ATOM 430 C LEU A 29 10.830 8.309 -4.944 1.00 0.63 C ATOM 431 O LEU A 29 9.829 8.911 -4.568 1.00 0.66 O ATOM 432 CB LEU A 29 10.510 8.488 -7.423 1.00 0.65 C ATOM 433 CG LEU A 29 11.499 9.635 -7.639 1.00 1.17 C ATOM 434 CD1 LEU A 29 12.897 9.094 -7.909 1.00 1.90 C ATOM 435 CD2 LEU A 29 11.041 10.522 -8.785 1.00 2.03 C ATOM 0 H LEU A 29 8.916 6.747 -6.294 1.00 0.53 H new ATOM 0 HA LEU A 29 11.839 7.147 -6.428 1.00 0.60 H new ATOM 0 HB2 LEU A 29 10.456 7.899 -8.338 1.00 0.65 H new ATOM 0 HB3 LEU A 29 9.519 8.911 -7.257 1.00 0.65 H new ATOM 0 HG LEU A 29 11.534 10.235 -6.730 1.00 1.17 H new ATOM 0 HD11 LEU A 29 13.586 9.925 -8.060 1.00 1.90 H new ATOM 0 HD12 LEU A 29 13.227 8.499 -7.058 1.00 1.90 H new ATOM 0 HD13 LEU A 29 12.879 8.470 -8.803 1.00 1.90 H new ATOM 0 HD21 LEU A 29 11.756 11.333 -8.925 1.00 2.03 H new ATOM 0 HD22 LEU A 29 10.978 9.932 -9.699 1.00 2.03 H new ATOM 0 HD23 LEU A 29 10.061 10.938 -8.553 1.00 2.03 H new ATOM 447 N TYR A 30 11.945 8.259 -4.249 1.00 0.65 N ATOM 448 CA TYR A 30 12.072 8.888 -2.948 1.00 0.72 C ATOM 449 C TYR A 30 13.401 9.617 -2.860 1.00 0.77 C ATOM 450 O TYR A 30 14.250 9.477 -3.740 1.00 0.82 O ATOM 451 CB TYR A 30 11.963 7.836 -1.836 1.00 0.72 C ATOM 452 CG TYR A 30 12.887 6.648 -2.026 1.00 0.69 C ATOM 453 CD1 TYR A 30 14.235 6.727 -1.693 1.00 0.80 C ATOM 454 CD2 TYR A 30 12.408 5.452 -2.546 1.00 0.65 C ATOM 455 CE1 TYR A 30 15.078 5.647 -1.879 1.00 0.88 C ATOM 456 CE2 TYR A 30 13.246 4.370 -2.736 1.00 0.71 C ATOM 457 CZ TYR A 30 14.580 4.473 -2.395 1.00 0.83 C ATOM 458 OH TYR A 30 15.423 3.400 -2.595 1.00 0.96 O ATOM 0 H TYR A 30 12.789 7.783 -4.567 1.00 0.65 H new ATOM 0 HA TYR A 30 11.264 9.608 -2.819 1.00 0.72 H new ATOM 0 HB2 TYR A 30 12.185 8.308 -0.879 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.934 7.480 -1.785 1.00 0.72 H new ATOM 0 HD1 TYR A 30 14.629 7.645 -1.283 1.00 0.80 H new ATOM 0 HD2 TYR A 30 11.363 5.367 -2.806 1.00 0.65 H new ATOM 0 HE1 TYR A 30 16.124 5.725 -1.620 1.00 0.88 H new ATOM 0 HE2 TYR A 30 12.860 3.450 -3.149 1.00 0.71 H new ATOM 0 HH TYR A 30 14.914 2.648 -2.964 1.00 0.96 H new ATOM 468 N SER A 31 13.582 10.390 -1.809 1.00 0.85 N ATOM 469 CA SER A 31 14.825 11.107 -1.607 1.00 0.97 C ATOM 470 C SER A 31 15.333 10.885 -0.188 1.00 0.88 C ATOM 471 O SER A 31 14.543 10.928 0.754 1.00 0.85 O ATOM 472 CB SER A 31 14.625 12.597 -1.888 1.00 1.20 C ATOM 473 OG SER A 31 14.082 12.797 -3.184 1.00 1.78 O ATOM 0 H SER A 31 12.884 10.538 -1.081 1.00 0.85 H new ATOM 0 HA SER A 31 15.573 10.726 -2.302 1.00 0.97 H new ATOM 0 HB2 SER A 31 13.959 13.027 -1.140 1.00 1.20 H new ATOM 0 HB3 SER A 31 15.578 13.119 -1.804 1.00 1.20 H new ATOM 0 HG SER A 31 13.960 13.756 -3.343 1.00 1.78 H new ATOM 479 N PRO A 32 16.631 10.596 -0.015 1.00 0.96 N ATOM 480 CA PRO A 32 17.206 10.247 1.291 1.00 0.99 C ATOM 481 C PRO A 32 16.808 11.228 2.393 1.00 1.01 C ATOM 482 O PRO A 32 16.277 10.831 3.436 1.00 1.05 O ATOM 483 CB PRO A 32 18.723 10.284 1.051 1.00 1.23 C ATOM 484 CG PRO A 32 18.912 10.861 -0.317 1.00 1.37 C ATOM 485 CD PRO A 32 17.646 10.586 -1.074 1.00 1.12 C ATOM 0 HA PRO A 32 16.846 9.278 1.638 1.00 0.99 H new ATOM 0 HB2 PRO A 32 19.222 10.894 1.804 1.00 1.23 H new ATOM 0 HB3 PRO A 32 19.152 9.284 1.115 1.00 1.23 H new ATOM 0 HG2 PRO A 32 19.107 11.932 -0.263 1.00 1.37 H new ATOM 0 HG3 PRO A 32 19.768 10.406 -0.815 1.00 1.37 H new ATOM 0 HD2 PRO A 32 17.452 11.348 -1.829 1.00 1.12 H new ATOM 0 HD3 PRO A 32 17.683 9.627 -1.591 1.00 1.12 H new ATOM 493 N GLU A 33 17.028 12.509 2.138 1.00 1.09 N ATOM 494 CA GLU A 33 16.726 13.563 3.099 1.00 1.26 C ATOM 495 C GLU A 33 15.219 13.778 3.266 1.00 1.23 C ATOM 496 O GLU A 33 14.788 14.505 4.159 1.00 1.39 O ATOM 497 CB GLU A 33 17.419 14.881 2.718 1.00 1.48 C ATOM 498 CG GLU A 33 17.155 15.362 1.294 1.00 1.99 C ATOM 499 CD GLU A 33 17.854 14.521 0.245 1.00 2.43 C ATOM 500 OE1 GLU A 33 19.063 14.261 0.397 1.00 2.96 O ATOM 501 OE2 GLU A 33 17.197 14.112 -0.730 1.00 2.83 O ATOM 0 H GLU A 33 17.421 12.849 1.260 1.00 1.09 H new ATOM 0 HA GLU A 33 17.119 13.232 4.060 1.00 1.26 H new ATOM 0 HB2 GLU A 33 17.097 15.657 3.413 1.00 1.48 H new ATOM 0 HB3 GLU A 33 18.494 14.760 2.851 1.00 1.48 H new ATOM 0 HG2 GLU A 33 16.082 15.349 1.105 1.00 1.99 H new ATOM 0 HG3 GLU A 33 17.483 16.397 1.199 1.00 1.99 H new ATOM 508 N ASP A 34 14.421 13.154 2.408 1.00 1.12 N ATOM 509 CA ASP A 34 12.970 13.324 2.451 1.00 1.23 C ATOM 510 C ASP A 34 12.328 12.202 3.254 1.00 1.17 C ATOM 511 O ASP A 34 11.137 12.241 3.550 1.00 1.38 O ATOM 512 CB ASP A 34 12.377 13.352 1.037 1.00 1.33 C ATOM 513 CG ASP A 34 12.551 14.690 0.343 1.00 1.71 C ATOM 514 OD1 ASP A 34 13.686 15.205 0.296 1.00 2.22 O ATOM 515 OD2 ASP A 34 11.551 15.227 -0.184 1.00 2.14 O ATOM 0 H ASP A 34 14.751 12.527 1.675 1.00 1.12 H new ATOM 0 HA ASP A 34 12.760 14.278 2.935 1.00 1.23 H new ATOM 0 HB2 ASP A 34 12.849 12.574 0.436 1.00 1.33 H new ATOM 0 HB3 ASP A 34 11.315 13.113 1.090 1.00 1.33 H new ATOM 520 N ILE A 35 13.128 11.200 3.604 1.00 0.97 N ATOM 521 CA ILE A 35 12.638 10.082 4.402 1.00 0.97 C ATOM 522 C ILE A 35 13.408 9.977 5.715 1.00 1.02 C ATOM 523 O ILE A 35 12.883 9.504 6.720 1.00 1.09 O ATOM 524 CB ILE A 35 12.721 8.732 3.650 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.127 8.501 3.090 1.00 0.78 C ATOM 526 CG2 ILE A 35 11.675 8.666 2.545 1.00 0.95 C ATOM 527 CD1 ILE A 35 14.302 7.159 2.413 1.00 0.82 C ATOM 0 H ILE A 35 14.114 11.139 3.349 1.00 0.97 H new ATOM 0 HA ILE A 35 11.587 10.287 4.605 1.00 0.97 H new ATOM 0 HB ILE A 35 12.512 7.934 4.362 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.357 9.291 2.375 1.00 0.78 H new ATOM 0 HG13 ILE A 35 14.850 8.585 3.902 1.00 0.78 H new ATOM 0 HG21 ILE A 35 11.751 7.709 2.029 1.00 0.95 H new ATOM 0 HG22 ILE A 35 10.680 8.766 2.979 1.00 0.95 H new ATOM 0 HG23 ILE A 35 11.844 9.475 1.835 1.00 0.95 H new ATOM 0 HD11 ILE A 35 15.323 7.069 2.042 1.00 0.82 H new ATOM 0 HD12 ILE A 35 14.104 6.362 3.129 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.605 7.079 1.579 1.00 0.82 H new ATOM 539 N GLY A 36 14.666 10.410 5.696 1.00 1.08 N ATOM 540 CA GLY A 36 15.472 10.434 6.904 1.00 1.25 C ATOM 541 C GLY A 36 15.947 9.058 7.329 1.00 1.17 C ATOM 542 O GLY A 36 16.667 8.926 8.322 1.00 1.40 O ATOM 0 H GLY A 36 15.144 10.747 4.860 1.00 1.08 H new ATOM 0 HA2 GLY A 36 16.337 11.077 6.744 1.00 1.25 H new ATOM 0 HA3 GLY A 36 14.891 10.877 7.713 1.00 1.25 H new ATOM 546 N GLY A 37 15.548 8.036 6.579 1.00 0.97 N ATOM 547 CA GLY A 37 15.924 6.676 6.908 1.00 0.96 C ATOM 548 C GLY A 37 15.283 6.200 8.199 1.00 0.88 C ATOM 549 O GLY A 37 15.921 5.528 9.007 1.00 1.05 O ATOM 0 H GLY A 37 14.968 8.128 5.745 1.00 0.97 H new ATOM 0 HA2 GLY A 37 15.632 6.013 6.094 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.008 6.612 6.998 1.00 0.96 H new ATOM 553 N LEU A 38 14.018 6.546 8.393 1.00 0.77 N ATOM 554 CA LEU A 38 13.309 6.180 9.610 1.00 0.83 C ATOM 555 C LEU A 38 12.598 4.845 9.426 1.00 0.66 C ATOM 556 O LEU A 38 12.421 4.378 8.298 1.00 0.67 O ATOM 557 CB LEU A 38 12.322 7.293 10.010 1.00 1.06 C ATOM 558 CG LEU A 38 11.263 7.681 8.967 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.075 6.735 9.012 1.00 1.72 C ATOM 560 CD2 LEU A 38 10.802 9.113 9.186 1.00 1.20 C ATOM 0 H LEU A 38 13.463 7.079 7.724 1.00 0.77 H new ATOM 0 HA LEU A 38 14.029 6.066 10.420 1.00 0.83 H new ATOM 0 HB2 LEU A 38 11.807 6.981 10.919 1.00 1.06 H new ATOM 0 HB3 LEU A 38 12.897 8.185 10.260 1.00 1.06 H new ATOM 0 HG LEU A 38 11.721 7.604 7.981 1.00 1.05 H new ATOM 0 HD11 LEU A 38 9.342 7.035 8.263 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.411 5.719 8.805 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.618 6.771 10.001 1.00 1.72 H new ATOM 0 HD21 LEU A 38 10.052 9.372 8.439 1.00 1.20 H new ATOM 0 HD22 LEU A 38 10.370 9.208 10.182 1.00 1.20 H new ATOM 0 HD23 LEU A 38 11.653 9.787 9.094 1.00 1.20 H new ATOM 572 N ARG A 39 12.213 4.226 10.536 1.00 0.68 N ATOM 573 CA ARG A 39 11.507 2.954 10.492 1.00 0.59 C ATOM 574 C ARG A 39 10.059 3.173 10.079 1.00 0.52 C ATOM 575 O ARG A 39 9.307 3.898 10.732 1.00 0.62 O ATOM 576 CB ARG A 39 11.584 2.236 11.843 1.00 0.66 C ATOM 577 CG ARG A 39 11.096 3.073 13.016 1.00 0.76 C ATOM 578 CD ARG A 39 11.300 2.360 14.343 1.00 1.12 C ATOM 579 NE ARG A 39 12.715 2.094 14.621 1.00 2.00 N ATOM 580 CZ ARG A 39 13.423 2.722 15.562 1.00 2.70 C ATOM 581 NH1 ARG A 39 12.870 3.686 16.287 1.00 2.71 N ATOM 582 NH2 ARG A 39 14.693 2.393 15.776 1.00 3.77 N ATOM 0 H ARG A 39 12.378 4.585 11.476 1.00 0.68 H new ATOM 0 HA ARG A 39 11.989 2.318 9.750 1.00 0.59 H new ATOM 0 HB2 ARG A 39 10.993 1.322 11.791 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.616 1.938 12.027 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.628 4.025 13.029 1.00 0.76 H new ATOM 0 HG3 ARG A 39 10.038 3.301 12.885 1.00 0.76 H new ATOM 0 HD2 ARG A 39 10.882 2.966 15.147 1.00 1.12 H new ATOM 0 HD3 ARG A 39 10.751 1.419 14.335 1.00 1.12 H new ATOM 0 HE ARG A 39 13.188 1.385 14.060 1.00 2.00 H new ATOM 0 HH11 ARG A 39 11.898 3.951 16.127 1.00 2.71 H new ATOM 0 HH12 ARG A 39 13.417 4.162 17.005 1.00 2.71 H new ATOM 0 HH21 ARG A 39 15.130 1.658 15.220 1.00 3.77 H new ATOM 0 HH22 ARG A 39 15.230 2.876 16.496 1.00 3.77 H new ATOM 596 N SER A 40 9.680 2.544 8.984 1.00 0.45 N ATOM 597 CA SER A 40 8.370 2.753 8.402 1.00 0.50 C ATOM 598 C SER A 40 7.318 1.863 9.053 1.00 0.49 C ATOM 599 O SER A 40 7.643 0.906 9.761 1.00 0.48 O ATOM 600 CB SER A 40 8.444 2.480 6.900 1.00 0.56 C ATOM 601 OG SER A 40 9.205 1.313 6.639 1.00 0.50 O ATOM 0 H SER A 40 10.265 1.880 8.477 1.00 0.45 H new ATOM 0 HA SER A 40 8.071 3.786 8.577 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.438 2.362 6.497 1.00 0.56 H new ATOM 0 HB3 SER A 40 8.893 3.334 6.392 1.00 0.56 H new ATOM 0 HG SER A 40 9.094 0.678 7.377 1.00 0.50 H new ATOM 607 N SER A 41 6.057 2.184 8.800 1.00 0.59 N ATOM 608 CA SER A 41 4.954 1.416 9.337 1.00 0.68 C ATOM 609 C SER A 41 4.653 0.259 8.398 1.00 0.65 C ATOM 610 O SER A 41 3.935 0.419 7.408 1.00 0.66 O ATOM 611 CB SER A 41 3.718 2.309 9.493 1.00 0.85 C ATOM 612 OG SER A 41 4.040 3.528 10.149 1.00 1.54 O ATOM 0 H SER A 41 5.776 2.976 8.222 1.00 0.59 H new ATOM 0 HA SER A 41 5.222 1.026 10.319 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.295 2.523 8.511 1.00 0.85 H new ATOM 0 HB3 SER A 41 2.953 1.779 10.061 1.00 0.85 H new ATOM 0 HG SER A 41 3.233 4.078 10.233 1.00 1.54 H new ATOM 618 N ALA A 42 5.230 -0.896 8.708 1.00 0.69 N ATOM 619 CA ALA A 42 5.149 -2.061 7.841 1.00 0.72 C ATOM 620 C ALA A 42 3.706 -2.428 7.525 1.00 0.63 C ATOM 621 O ALA A 42 2.882 -2.578 8.428 1.00 0.66 O ATOM 622 CB ALA A 42 5.864 -3.237 8.485 1.00 0.84 C ATOM 0 H ALA A 42 5.764 -1.049 9.563 1.00 0.69 H new ATOM 0 HA ALA A 42 5.638 -1.813 6.899 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.799 -4.106 7.830 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.911 -2.982 8.646 1.00 0.84 H new ATOM 0 HB3 ALA A 42 5.395 -3.468 9.442 1.00 0.84 H new ATOM 628 N LEU A 43 3.407 -2.556 6.242 1.00 0.59 N ATOM 629 CA LEU A 43 2.099 -3.003 5.804 1.00 0.54 C ATOM 630 C LEU A 43 2.214 -4.462 5.382 1.00 0.45 C ATOM 631 O LEU A 43 2.421 -4.779 4.213 1.00 0.51 O ATOM 632 CB LEU A 43 1.593 -2.116 4.654 1.00 0.65 C ATOM 633 CG LEU A 43 0.068 -2.071 4.449 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.453 -3.381 3.878 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.632 -1.748 5.761 1.00 1.42 C ATOM 0 H LEU A 43 4.058 -2.355 5.483 1.00 0.59 H new ATOM 0 HA LEU A 43 1.373 -2.921 6.613 1.00 0.54 H new ATOM 0 HB2 LEU A 43 1.945 -1.099 4.826 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.053 -2.461 3.728 1.00 0.65 H new ATOM 0 HG LEU A 43 -0.151 -1.283 3.729 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.533 -3.316 3.745 1.00 1.42 H new ATOM 0 HD12 LEU A 43 0.020 -3.572 2.915 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.220 -4.195 4.564 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.710 -1.719 5.601 1.00 1.42 H new ATOM 0 HD22 LEU A 43 -0.395 -2.515 6.498 1.00 1.42 H new ATOM 0 HD23 LEU A 43 -0.293 -0.778 6.125 1.00 1.42 H new ATOM 647 N LYS A 44 2.106 -5.334 6.365 1.00 0.43 N ATOM 648 CA LYS A 44 2.310 -6.761 6.177 1.00 0.43 C ATOM 649 C LYS A 44 0.965 -7.464 6.044 1.00 0.41 C ATOM 650 O LYS A 44 0.322 -7.788 7.043 1.00 0.50 O ATOM 651 CB LYS A 44 3.083 -7.308 7.382 1.00 0.61 C ATOM 652 CG LYS A 44 3.582 -8.736 7.237 1.00 0.88 C ATOM 653 CD LYS A 44 4.154 -9.234 8.555 1.00 1.15 C ATOM 654 CE LYS A 44 4.829 -10.588 8.416 1.00 1.77 C ATOM 655 NZ LYS A 44 6.093 -10.511 7.637 1.00 2.43 N ATOM 0 H LYS A 44 1.873 -5.073 7.323 1.00 0.43 H new ATOM 0 HA LYS A 44 2.881 -6.941 5.266 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.938 -6.659 7.570 1.00 0.61 H new ATOM 0 HB3 LYS A 44 2.441 -7.252 8.261 1.00 0.61 H new ATOM 0 HG2 LYS A 44 2.764 -9.383 6.920 1.00 0.88 H new ATOM 0 HG3 LYS A 44 4.345 -8.784 6.461 1.00 0.88 H new ATOM 0 HD2 LYS A 44 4.874 -8.509 8.933 1.00 1.15 H new ATOM 0 HD3 LYS A 44 3.354 -9.303 9.292 1.00 1.15 H new ATOM 0 HE2 LYS A 44 5.040 -10.990 9.407 1.00 1.77 H new ATOM 0 HE3 LYS A 44 4.146 -11.284 7.928 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 6.695 -11.326 7.870 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 5.875 -10.521 6.620 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 6.594 -9.631 7.875 1.00 2.43 H new ATOM 669 N GLY A 45 0.525 -7.660 4.812 1.00 0.37 N ATOM 670 CA GLY A 45 -0.754 -8.296 4.582 1.00 0.37 C ATOM 671 C GLY A 45 -1.164 -8.250 3.127 1.00 0.33 C ATOM 672 O GLY A 45 -0.345 -7.967 2.254 1.00 0.34 O ATOM 0 H GLY A 45 1.030 -7.390 3.968 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -0.706 -9.334 4.911 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.516 -7.805 5.188 1.00 0.37 H new ATOM 676 N ARG A 46 -2.440 -8.497 2.868 1.00 0.35 N ATOM 677 CA ARG A 46 -2.960 -8.473 1.509 1.00 0.36 C ATOM 678 C ARG A 46 -3.889 -7.283 1.328 1.00 0.34 C ATOM 679 O ARG A 46 -4.953 -7.225 1.944 1.00 0.48 O ATOM 680 CB ARG A 46 -3.717 -9.759 1.168 1.00 0.49 C ATOM 681 CG ARG A 46 -4.452 -9.658 -0.159 1.00 0.97 C ATOM 682 CD ARG A 46 -5.386 -10.828 -0.401 1.00 1.13 C ATOM 683 NE ARG A 46 -6.330 -10.525 -1.473 1.00 1.77 N ATOM 684 CZ ARG A 46 -6.549 -11.301 -2.529 1.00 2.26 C ATOM 685 NH1 ARG A 46 -5.929 -12.467 -2.650 1.00 2.15 N ATOM 686 NH2 ARG A 46 -7.407 -10.908 -3.459 1.00 3.27 N ATOM 0 H ARG A 46 -3.135 -8.716 3.582 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.108 -8.389 0.835 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.015 -10.592 1.130 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -4.431 -9.979 1.961 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -5.024 -8.731 -0.183 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -3.725 -9.605 -0.969 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -4.807 -11.714 -0.660 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -5.930 -11.060 0.514 1.00 1.13 H new ATOM 0 HE ARG A 46 -6.859 -9.656 -1.406 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -5.277 -12.775 -1.929 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -6.104 -13.056 -3.465 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -7.893 -10.017 -3.361 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -7.582 -11.497 -4.273 1.00 3.27 H new ATOM 700 N HIS A 47 -3.488 -6.335 0.496 1.00 0.32 N ATOM 701 CA HIS A 47 -4.302 -5.153 0.244 1.00 0.45 C ATOM 702 C HIS A 47 -4.057 -4.593 -1.145 1.00 0.43 C ATOM 703 O HIS A 47 -3.123 -4.998 -1.836 1.00 0.46 O ATOM 704 CB HIS A 47 -4.036 -4.061 1.287 1.00 0.68 C ATOM 705 CG HIS A 47 -4.730 -4.297 2.592 1.00 1.01 C ATOM 706 ND1 HIS A 47 -6.092 -4.158 2.752 1.00 1.79 N ATOM 707 CD2 HIS A 47 -4.247 -4.673 3.798 1.00 1.21 C ATOM 708 CE1 HIS A 47 -6.414 -4.435 4.002 1.00 1.98 C ATOM 709 NE2 HIS A 47 -5.313 -4.750 4.657 1.00 1.57 N ATOM 0 H HIS A 47 -2.606 -6.359 -0.016 1.00 0.32 H new ATOM 0 HA HIS A 47 -5.343 -5.468 0.316 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -2.963 -3.992 1.463 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -4.355 -3.100 0.884 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -3.214 -4.875 4.040 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -7.410 -4.408 4.418 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -5.263 -5.009 5.642 1.00 1.57 H new ATOM 718 N ASP A 48 -4.925 -3.672 -1.538 1.00 0.47 N ATOM 719 CA ASP A 48 -4.795 -2.953 -2.800 1.00 0.55 C ATOM 720 C ASP A 48 -3.595 -2.007 -2.759 1.00 0.48 C ATOM 721 O ASP A 48 -3.210 -1.546 -1.683 1.00 0.44 O ATOM 722 CB ASP A 48 -6.091 -2.178 -3.087 1.00 0.70 C ATOM 723 CG ASP A 48 -5.893 -0.985 -4.003 1.00 1.20 C ATOM 724 OD1 ASP A 48 -5.904 -1.178 -5.239 1.00 1.80 O ATOM 725 OD2 ASP A 48 -5.723 0.143 -3.500 1.00 1.86 O ATOM 0 H ASP A 48 -5.742 -3.401 -0.990 1.00 0.47 H new ATOM 0 HA ASP A 48 -4.627 -3.670 -3.603 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -6.817 -2.855 -3.537 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -6.516 -1.835 -2.144 1.00 0.70 H new ATOM 730 N LEU A 49 -3.015 -1.719 -3.920 1.00 0.50 N ATOM 731 CA LEU A 49 -1.776 -0.948 -3.998 1.00 0.51 C ATOM 732 C LEU A 49 -1.939 0.422 -3.333 1.00 0.42 C ATOM 733 O LEU A 49 -1.249 0.732 -2.357 1.00 0.43 O ATOM 734 CB LEU A 49 -1.360 -0.794 -5.469 1.00 0.61 C ATOM 735 CG LEU A 49 0.132 -0.540 -5.730 1.00 0.73 C ATOM 736 CD1 LEU A 49 0.451 -0.751 -7.202 1.00 1.16 C ATOM 737 CD2 LEU A 49 0.533 0.863 -5.305 1.00 1.18 C ATOM 0 H LEU A 49 -3.385 -2.009 -4.825 1.00 0.50 H new ATOM 0 HA LEU A 49 -0.993 -1.483 -3.460 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -1.652 -1.698 -6.004 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.928 0.030 -5.901 1.00 0.61 H new ATOM 0 HG LEU A 49 0.704 -1.251 -5.134 1.00 0.73 H new ATOM 0 HD11 LEU A 49 1.512 -0.568 -7.374 1.00 1.16 H new ATOM 0 HD12 LEU A 49 0.209 -1.776 -7.483 1.00 1.16 H new ATOM 0 HD13 LEU A 49 -0.139 -0.061 -7.805 1.00 1.16 H new ATOM 0 HD21 LEU A 49 1.594 1.013 -5.502 1.00 1.18 H new ATOM 0 HD22 LEU A 49 -0.048 1.594 -5.868 1.00 1.18 H new ATOM 0 HD23 LEU A 49 0.340 0.990 -4.240 1.00 1.18 H new ATOM 749 N GLN A 50 -2.864 1.228 -3.844 1.00 0.41 N ATOM 750 CA GLN A 50 -3.090 2.568 -3.309 1.00 0.42 C ATOM 751 C GLN A 50 -3.489 2.501 -1.834 1.00 0.39 C ATOM 752 O GLN A 50 -3.076 3.338 -1.026 1.00 0.41 O ATOM 753 CB GLN A 50 -4.177 3.284 -4.112 1.00 0.52 C ATOM 754 CG GLN A 50 -4.433 4.713 -3.658 1.00 1.21 C ATOM 755 CD GLN A 50 -5.573 5.366 -4.416 1.00 1.67 C ATOM 756 OE1 GLN A 50 -5.364 6.000 -5.452 1.00 2.15 O ATOM 757 NE2 GLN A 50 -6.783 5.221 -3.898 1.00 2.39 N ATOM 0 H GLN A 50 -3.469 0.978 -4.626 1.00 0.41 H new ATOM 0 HA GLN A 50 -2.160 3.130 -3.392 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -3.893 3.292 -5.164 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -5.105 2.717 -4.037 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -4.660 4.717 -2.592 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -3.526 5.302 -3.793 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -6.909 4.687 -3.038 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -7.589 5.643 -4.359 1.00 2.39 H new ATOM 766 N SER A 51 -4.276 1.489 -1.496 1.00 0.41 N ATOM 767 CA SER A 51 -4.744 1.295 -0.130 1.00 0.46 C ATOM 768 C SER A 51 -3.567 1.080 0.828 1.00 0.41 C ATOM 769 O SER A 51 -3.497 1.711 1.886 1.00 0.43 O ATOM 770 CB SER A 51 -5.701 0.104 -0.067 1.00 0.57 C ATOM 771 OG SER A 51 -6.757 0.251 -1.007 1.00 1.33 O ATOM 0 H SER A 51 -4.606 0.784 -2.155 1.00 0.41 H new ATOM 0 HA SER A 51 -5.275 2.195 0.181 1.00 0.46 H new ATOM 0 HB2 SER A 51 -5.155 -0.817 -0.269 1.00 0.57 H new ATOM 0 HB3 SER A 51 -6.113 0.016 0.938 1.00 0.57 H new ATOM 0 HG SER A 51 -6.389 0.247 -1.915 1.00 1.33 H new ATOM 777 N SER A 52 -2.641 0.197 0.452 1.00 0.40 N ATOM 778 CA SER A 52 -1.477 -0.091 1.289 1.00 0.43 C ATOM 779 C SER A 52 -0.616 1.157 1.481 1.00 0.41 C ATOM 780 O SER A 52 -0.120 1.418 2.579 1.00 0.45 O ATOM 781 CB SER A 52 -0.653 -1.241 0.691 1.00 0.49 C ATOM 782 OG SER A 52 -0.214 -0.950 -0.624 1.00 1.21 O ATOM 0 H SER A 52 -2.674 -0.328 -0.422 1.00 0.40 H new ATOM 0 HA SER A 52 -1.834 -0.402 2.271 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.210 -1.437 1.327 1.00 0.49 H new ATOM 0 HB3 SER A 52 -1.254 -2.150 0.680 1.00 0.49 H new ATOM 0 HG SER A 52 -0.723 -0.191 -0.978 1.00 1.21 H new ATOM 788 N LEU A 53 -0.477 1.945 0.417 1.00 0.39 N ATOM 789 CA LEU A 53 0.343 3.150 0.454 1.00 0.41 C ATOM 790 C LEU A 53 -0.218 4.171 1.434 1.00 0.40 C ATOM 791 O LEU A 53 0.521 4.739 2.236 1.00 0.46 O ATOM 792 CB LEU A 53 0.442 3.776 -0.938 1.00 0.44 C ATOM 793 CG LEU A 53 1.148 2.918 -1.987 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.120 3.608 -3.341 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.581 2.632 -1.568 1.00 0.56 C ATOM 0 H LEU A 53 -0.924 1.768 -0.483 1.00 0.39 H new ATOM 0 HA LEU A 53 1.338 2.859 0.789 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.565 3.999 -1.291 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.968 4.727 -0.855 1.00 0.44 H new ATOM 0 HG LEU A 53 0.618 1.969 -2.069 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.627 2.985 -4.078 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.086 3.765 -3.648 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.627 4.570 -3.270 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.067 2.020 -2.328 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.122 3.572 -1.458 1.00 0.56 H new ATOM 0 HD23 LEU A 53 2.583 2.099 -0.617 1.00 0.56 H new ATOM 807 N ARG A 54 -1.524 4.392 1.380 1.00 0.38 N ATOM 808 CA ARG A 54 -2.164 5.387 2.231 1.00 0.43 C ATOM 809 C ARG A 54 -2.094 4.990 3.702 1.00 0.42 C ATOM 810 O ARG A 54 -1.916 5.841 4.569 1.00 0.48 O ATOM 811 CB ARG A 54 -3.613 5.614 1.801 1.00 0.51 C ATOM 812 CG ARG A 54 -3.723 6.344 0.473 1.00 1.10 C ATOM 813 CD ARG A 54 -5.163 6.661 0.105 1.00 1.31 C ATOM 814 NE ARG A 54 -5.233 7.510 -1.084 1.00 1.87 N ATOM 815 CZ ARG A 54 -6.352 7.795 -1.745 1.00 2.48 C ATOM 816 NH1 ARG A 54 -7.528 7.365 -1.301 1.00 2.70 N ATOM 817 NH2 ARG A 54 -6.290 8.532 -2.849 1.00 3.38 N ATOM 0 H ARG A 54 -2.161 3.896 0.757 1.00 0.38 H new ATOM 0 HA ARG A 54 -1.618 6.323 2.114 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -4.120 4.652 1.725 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.130 6.187 2.570 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -3.151 7.270 0.522 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -3.276 5.734 -0.312 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -5.707 5.734 -0.075 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -5.653 7.161 0.941 1.00 1.31 H new ATOM 0 HE ARG A 54 -4.362 7.912 -1.431 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -7.579 6.811 -0.446 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -8.380 7.589 -1.815 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -5.389 8.875 -3.184 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -7.143 8.755 -3.362 1.00 3.38 H new ATOM 831 N ILE A 55 -2.225 3.699 3.983 1.00 0.42 N ATOM 832 CA ILE A 55 -2.123 3.211 5.350 1.00 0.47 C ATOM 833 C ILE A 55 -0.681 3.317 5.848 1.00 0.49 C ATOM 834 O ILE A 55 -0.435 3.567 7.029 1.00 0.59 O ATOM 835 CB ILE A 55 -2.609 1.747 5.458 1.00 0.56 C ATOM 836 CG1 ILE A 55 -4.067 1.637 4.999 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.460 1.224 6.881 1.00 0.66 C ATOM 838 CD1 ILE A 55 -5.039 2.451 5.833 1.00 1.24 C ATOM 0 H ILE A 55 -2.401 2.976 3.286 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.764 3.833 5.974 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.987 1.134 4.806 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.136 1.961 3.960 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -4.368 0.590 5.027 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -2.809 0.193 6.928 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.412 1.266 7.176 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -3.052 1.839 7.559 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -6.049 2.320 5.445 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -5.001 2.113 6.869 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.765 3.505 5.785 1.00 1.24 H new ATOM 850 N LEU A 56 0.267 3.147 4.936 1.00 0.45 N ATOM 851 CA LEU A 56 1.681 3.240 5.276 1.00 0.52 C ATOM 852 C LEU A 56 2.071 4.702 5.522 1.00 0.53 C ATOM 853 O LEU A 56 2.702 5.026 6.530 1.00 0.65 O ATOM 854 CB LEU A 56 2.527 2.634 4.145 1.00 0.57 C ATOM 855 CG LEU A 56 3.927 2.135 4.536 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.500 1.269 3.424 1.00 1.04 C ATOM 857 CD2 LEU A 56 4.875 3.291 4.826 1.00 1.63 C ATOM 0 H LEU A 56 0.082 2.944 3.954 1.00 0.45 H new ATOM 0 HA LEU A 56 1.868 2.679 6.192 1.00 0.52 H new ATOM 0 HB2 LEU A 56 1.974 1.800 3.713 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.637 3.383 3.361 1.00 0.57 H new ATOM 0 HG LEU A 56 3.826 1.545 5.447 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.492 0.920 3.709 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.848 0.412 3.258 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.571 1.854 2.507 1.00 1.04 H new ATOM 0 HD21 LEU A 56 5.855 2.899 5.099 1.00 1.63 H new ATOM 0 HD22 LEU A 56 4.969 3.916 3.938 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.481 3.887 5.649 1.00 1.63 H new ATOM 869 N LEU A 57 1.673 5.582 4.607 1.00 0.51 N ATOM 870 CA LEU A 57 2.019 7.001 4.687 1.00 0.63 C ATOM 871 C LEU A 57 0.887 7.815 5.318 1.00 0.72 C ATOM 872 O LEU A 57 0.771 9.021 5.084 1.00 1.16 O ATOM 873 CB LEU A 57 2.338 7.543 3.290 1.00 0.80 C ATOM 874 CG LEU A 57 3.524 6.880 2.588 1.00 1.29 C ATOM 875 CD1 LEU A 57 3.696 7.438 1.184 1.00 1.68 C ATOM 876 CD2 LEU A 57 4.788 7.081 3.400 1.00 2.17 C ATOM 0 H LEU A 57 1.106 5.336 3.795 1.00 0.51 H new ATOM 0 HA LEU A 57 2.899 7.098 5.322 1.00 0.63 H new ATOM 0 HB2 LEU A 57 1.454 7.427 2.663 1.00 0.80 H new ATOM 0 HB3 LEU A 57 2.535 8.612 3.369 1.00 0.80 H new ATOM 0 HG LEU A 57 3.327 5.811 2.506 1.00 1.29 H new ATOM 0 HD11 LEU A 57 4.545 6.954 0.701 1.00 1.68 H new ATOM 0 HD12 LEU A 57 2.793 7.249 0.604 1.00 1.68 H new ATOM 0 HD13 LEU A 57 3.874 8.512 1.239 1.00 1.68 H new ATOM 0 HD21 LEU A 57 5.627 6.605 2.892 1.00 2.17 H new ATOM 0 HD22 LEU A 57 4.986 8.148 3.507 1.00 2.17 H new ATOM 0 HD23 LEU A 57 4.661 6.635 4.387 1.00 2.17 H new ATOM 888 N GLN A 58 0.048 7.132 6.087 1.00 0.61 N ATOM 889 CA GLN A 58 -1.051 7.752 6.828 1.00 0.79 C ATOM 890 C GLN A 58 -0.583 8.940 7.682 1.00 1.05 C ATOM 891 O GLN A 58 -0.143 8.763 8.819 1.00 2.03 O ATOM 892 CB GLN A 58 -1.707 6.694 7.722 1.00 0.90 C ATOM 893 CG GLN A 58 -2.998 7.148 8.382 1.00 1.29 C ATOM 894 CD GLN A 58 -4.148 7.299 7.402 1.00 1.60 C ATOM 895 OE1 GLN A 58 -5.030 8.134 7.592 1.00 2.30 O ATOM 896 NE2 GLN A 58 -4.160 6.485 6.355 1.00 1.85 N ATOM 0 H GLN A 58 0.109 6.122 6.217 1.00 0.61 H new ATOM 0 HA GLN A 58 -1.768 8.141 6.105 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -1.911 5.806 7.124 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -0.999 6.401 8.498 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -3.277 6.429 9.152 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -2.827 8.101 8.882 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -3.411 5.804 6.230 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -4.918 6.540 5.675 1.00 1.85 H new ATOM 905 N GLY A 59 -0.686 10.148 7.131 1.00 0.97 N ATOM 906 CA GLY A 59 -0.370 11.348 7.888 1.00 1.28 C ATOM 907 C GLY A 59 1.116 11.519 8.153 1.00 1.13 C ATOM 908 O GLY A 59 1.515 11.901 9.253 1.00 1.42 O ATOM 0 H GLY A 59 -0.984 10.317 6.170 1.00 0.97 H new ATOM 0 HA2 GLY A 59 -0.737 12.219 7.345 1.00 1.28 H new ATOM 0 HA3 GLY A 59 -0.900 11.319 8.840 1.00 1.28 H new ATOM 912 N THR A 60 1.935 11.245 7.147 1.00 0.95 N ATOM 913 CA THR A 60 3.382 11.398 7.284 1.00 0.99 C ATOM 914 C THR A 60 3.848 12.811 6.920 1.00 1.06 C ATOM 915 O THR A 60 5.046 13.102 6.945 1.00 1.25 O ATOM 916 CB THR A 60 4.138 10.382 6.403 1.00 1.04 C ATOM 917 OG1 THR A 60 3.673 10.461 5.047 1.00 0.99 O ATOM 918 CG2 THR A 60 3.962 8.965 6.924 1.00 1.21 C ATOM 0 H THR A 60 1.628 10.917 6.231 1.00 0.95 H new ATOM 0 HA THR A 60 3.610 11.213 8.334 1.00 0.99 H new ATOM 0 HB THR A 60 5.199 10.631 6.438 1.00 1.04 H new ATOM 0 HG1 THR A 60 2.821 9.984 4.965 1.00 0.99 H new ATOM 0 HG21 THR A 60 4.506 8.271 6.283 1.00 1.21 H new ATOM 0 HG22 THR A 60 4.350 8.900 7.940 1.00 1.21 H new ATOM 0 HG23 THR A 60 2.903 8.706 6.923 1.00 1.21 H new ATOM 926 N GLY A 61 2.904 13.688 6.592 1.00 1.08 N ATOM 927 CA GLY A 61 3.243 15.054 6.223 1.00 1.32 C ATOM 928 C GLY A 61 3.992 15.145 4.906 1.00 1.26 C ATOM 929 O GLY A 61 4.517 16.205 4.554 1.00 1.35 O ATOM 0 H GLY A 61 1.906 13.477 6.575 1.00 1.08 H new ATOM 0 HA2 GLY A 61 2.329 15.644 6.156 1.00 1.32 H new ATOM 0 HA3 GLY A 61 3.851 15.497 7.012 1.00 1.32 H new ATOM 933 N LEU A 62 4.040 14.039 4.179 1.00 1.16 N ATOM 934 CA LEU A 62 4.733 13.989 2.901 1.00 1.11 C ATOM 935 C LEU A 62 3.723 13.855 1.773 1.00 1.07 C ATOM 936 O LEU A 62 2.558 13.530 2.012 1.00 1.14 O ATOM 937 CB LEU A 62 5.708 12.808 2.869 1.00 1.10 C ATOM 938 CG LEU A 62 6.747 12.791 3.993 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.629 11.561 3.884 1.00 1.23 C ATOM 940 CD2 LEU A 62 7.590 14.058 3.962 1.00 1.28 C ATOM 0 H LEU A 62 3.604 13.159 4.455 1.00 1.16 H new ATOM 0 HA LEU A 62 5.298 14.912 2.772 1.00 1.11 H new ATOM 0 HB2 LEU A 62 5.134 11.882 2.912 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.231 12.815 1.913 1.00 1.10 H new ATOM 0 HG LEU A 62 6.220 12.753 4.947 1.00 1.19 H new ATOM 0 HD11 LEU A 62 8.362 11.566 4.691 1.00 1.23 H new ATOM 0 HD12 LEU A 62 7.014 10.664 3.958 1.00 1.23 H new ATOM 0 HD13 LEU A 62 8.146 11.568 2.925 1.00 1.23 H new ATOM 0 HD21 LEU A 62 8.323 14.027 4.768 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.107 14.128 3.005 1.00 1.28 H new ATOM 0 HD23 LEU A 62 6.945 14.927 4.091 1.00 1.28 H new ATOM 952 N ARG A 63 4.165 14.093 0.547 1.00 1.01 N ATOM 953 CA ARG A 63 3.282 13.996 -0.597 1.00 1.03 C ATOM 954 C ARG A 63 3.665 12.811 -1.464 1.00 0.92 C ATOM 955 O ARG A 63 4.808 12.702 -1.910 1.00 0.87 O ATOM 956 CB ARG A 63 3.330 15.274 -1.435 1.00 1.15 C ATOM 957 CG ARG A 63 2.726 16.485 -0.748 1.00 1.51 C ATOM 958 CD ARG A 63 1.270 16.253 -0.371 1.00 1.78 C ATOM 959 NE ARG A 63 0.480 15.752 -1.496 1.00 2.51 N ATOM 960 CZ ARG A 63 -0.850 15.718 -1.516 1.00 3.28 C ATOM 961 NH1 ARG A 63 -1.549 16.258 -0.523 1.00 3.53 N ATOM 962 NH2 ARG A 63 -1.479 15.164 -2.546 1.00 4.21 N ATOM 0 H ARG A 63 5.126 14.353 0.323 1.00 1.01 H new ATOM 0 HA ARG A 63 2.268 13.858 -0.223 1.00 1.03 H new ATOM 0 HB2 ARG A 63 4.368 15.492 -1.687 1.00 1.15 H new ATOM 0 HB3 ARG A 63 2.803 15.101 -2.373 1.00 1.15 H new ATOM 0 HG2 ARG A 63 3.301 16.719 0.148 1.00 1.51 H new ATOM 0 HG3 ARG A 63 2.797 17.350 -1.407 1.00 1.51 H new ATOM 0 HD2 ARG A 63 1.219 15.540 0.452 1.00 1.78 H new ATOM 0 HD3 ARG A 63 0.836 17.186 -0.012 1.00 1.78 H new ATOM 0 HE ARG A 63 0.980 15.407 -2.316 1.00 2.51 H new ATOM 0 HH11 ARG A 63 -1.066 16.701 0.259 1.00 3.53 H new ATOM 0 HH12 ARG A 63 -2.568 16.230 -0.543 1.00 3.53 H new ATOM 0 HH21 ARG A 63 -0.943 14.767 -3.317 1.00 4.21 H new ATOM 0 HH22 ARG A 63 -2.498 15.136 -2.566 1.00 4.21 H new ATOM 976 N TYR A 64 2.712 11.926 -1.704 1.00 0.96 N ATOM 977 CA TYR A 64 2.930 10.831 -2.629 1.00 0.91 C ATOM 978 C TYR A 64 2.250 11.135 -3.954 1.00 0.89 C ATOM 979 O TYR A 64 1.228 11.818 -4.000 1.00 0.94 O ATOM 980 CB TYR A 64 2.440 9.492 -2.055 1.00 0.92 C ATOM 981 CG TYR A 64 0.953 9.428 -1.774 1.00 0.97 C ATOM 982 CD1 TYR A 64 0.046 9.123 -2.782 1.00 1.06 C ATOM 983 CD2 TYR A 64 0.461 9.665 -0.499 1.00 1.02 C ATOM 984 CE1 TYR A 64 -1.307 9.058 -2.526 1.00 1.18 C ATOM 985 CE2 TYR A 64 -0.889 9.600 -0.236 1.00 1.14 C ATOM 986 CZ TYR A 64 -1.769 9.299 -1.252 1.00 1.20 C ATOM 987 OH TYR A 64 -3.114 9.240 -0.991 1.00 1.37 O ATOM 0 H TYR A 64 1.787 11.945 -1.274 1.00 0.96 H new ATOM 0 HA TYR A 64 4.003 10.733 -2.793 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.698 8.697 -2.754 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.979 9.290 -1.130 1.00 0.92 H new ATOM 0 HD1 TYR A 64 0.407 8.934 -3.782 1.00 1.06 H new ATOM 0 HD2 TYR A 64 1.147 9.904 0.300 1.00 1.02 H new ATOM 0 HE1 TYR A 64 -2.000 8.820 -3.320 1.00 1.18 H new ATOM 0 HE2 TYR A 64 -1.256 9.784 0.763 1.00 1.14 H new ATOM 0 HH TYR A 64 -3.272 9.434 -0.044 1.00 1.37 H new ATOM 997 N GLN A 65 2.837 10.648 -5.026 1.00 0.90 N ATOM 998 CA GLN A 65 2.287 10.834 -6.356 1.00 0.93 C ATOM 999 C GLN A 65 2.250 9.499 -7.075 1.00 0.87 C ATOM 1000 O GLN A 65 3.288 8.983 -7.477 1.00 0.86 O ATOM 1001 CB GLN A 65 3.123 11.838 -7.157 1.00 1.03 C ATOM 1002 CG GLN A 65 3.250 13.201 -6.497 1.00 1.59 C ATOM 1003 CD GLN A 65 4.057 14.183 -7.324 1.00 2.07 C ATOM 1004 OE1 GLN A 65 4.065 14.124 -8.556 1.00 2.64 O ATOM 1005 NE2 GLN A 65 4.749 15.087 -6.653 1.00 2.63 N ATOM 0 H GLN A 65 3.706 10.114 -5.003 1.00 0.90 H new ATOM 0 HA GLN A 65 1.276 11.231 -6.266 1.00 0.93 H new ATOM 0 HB2 GLN A 65 4.120 11.425 -7.310 1.00 1.03 H new ATOM 0 HB3 GLN A 65 2.675 11.963 -8.143 1.00 1.03 H new ATOM 0 HG2 GLN A 65 2.254 13.610 -6.325 1.00 1.59 H new ATOM 0 HG3 GLN A 65 3.720 13.084 -5.520 1.00 1.59 H new ATOM 0 HE21 GLN A 65 4.715 15.102 -5.634 1.00 2.63 H new ATOM 0 HE22 GLN A 65 5.317 15.770 -7.154 1.00 2.63 H new ATOM 1014 N ILE A 66 1.064 8.931 -7.206 1.00 0.88 N ATOM 1015 CA ILE A 66 0.919 7.635 -7.847 1.00 0.86 C ATOM 1016 C ILE A 66 0.191 7.762 -9.182 1.00 0.98 C ATOM 1017 O ILE A 66 -0.986 8.133 -9.240 1.00 1.11 O ATOM 1018 CB ILE A 66 0.196 6.612 -6.933 1.00 0.92 C ATOM 1019 CG1 ILE A 66 -0.065 5.307 -7.696 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -1.104 7.186 -6.377 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.693 4.217 -6.853 1.00 1.13 C ATOM 0 H ILE A 66 0.191 9.344 -6.879 1.00 0.88 H new ATOM 0 HA ILE A 66 1.925 7.259 -8.033 1.00 0.86 H new ATOM 0 HB ILE A 66 0.847 6.395 -6.086 1.00 0.92 H new ATOM 0 HG12 ILE A 66 -0.717 5.518 -8.544 1.00 1.02 H new ATOM 0 HG13 ILE A 66 0.878 4.941 -8.102 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.586 6.444 -5.741 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -0.886 8.080 -5.792 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.769 7.445 -7.201 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.846 3.327 -7.464 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.033 3.976 -6.020 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.653 4.562 -6.468 1.00 1.13 H new ATOM 1033 N ASP A 67 0.910 7.478 -10.254 1.00 1.04 N ATOM 1034 CA ASP A 67 0.342 7.503 -11.593 1.00 1.25 C ATOM 1035 C ASP A 67 1.165 6.625 -12.521 1.00 1.20 C ATOM 1036 O ASP A 67 2.393 6.692 -12.512 1.00 1.13 O ATOM 1037 CB ASP A 67 0.285 8.931 -12.137 1.00 1.45 C ATOM 1038 CG ASP A 67 -0.247 8.982 -13.554 1.00 1.82 C ATOM 1039 OD1 ASP A 67 -1.437 8.663 -13.758 1.00 2.28 O ATOM 1040 OD2 ASP A 67 0.524 9.334 -14.470 1.00 2.29 O ATOM 0 H ASP A 67 1.898 7.225 -10.223 1.00 1.04 H new ATOM 0 HA ASP A 67 -0.676 7.117 -11.541 1.00 1.25 H new ATOM 0 HB2 ASP A 67 -0.348 9.539 -11.491 1.00 1.45 H new ATOM 0 HB3 ASP A 67 1.283 9.369 -12.109 1.00 1.45 H new ATOM 1045 N GLY A 68 0.489 5.799 -13.309 1.00 1.28 N ATOM 1046 CA GLY A 68 1.184 4.864 -14.169 1.00 1.30 C ATOM 1047 C GLY A 68 1.946 3.839 -13.356 1.00 1.14 C ATOM 1048 O GLY A 68 1.358 3.132 -12.537 1.00 1.18 O ATOM 0 H GLY A 68 -0.529 5.761 -13.367 1.00 1.28 H new ATOM 0 HA2 GLY A 68 0.467 4.359 -14.817 1.00 1.30 H new ATOM 0 HA3 GLY A 68 1.874 5.405 -14.817 1.00 1.30 H new ATOM 1052 N ASN A 69 3.248 3.766 -13.571 1.00 1.03 N ATOM 1053 CA ASN A 69 4.108 2.891 -12.783 1.00 0.94 C ATOM 1054 C ASN A 69 5.002 3.721 -11.876 1.00 0.75 C ATOM 1055 O ASN A 69 6.004 3.231 -11.354 1.00 0.69 O ATOM 1056 CB ASN A 69 4.976 2.014 -13.695 1.00 1.06 C ATOM 1057 CG ASN A 69 4.168 1.020 -14.510 1.00 1.67 C ATOM 1058 OD1 ASN A 69 3.903 -0.096 -14.060 1.00 2.35 O ATOM 1059 ND2 ASN A 69 3.783 1.414 -15.716 1.00 2.29 N ATOM 0 H ASN A 69 3.737 4.303 -14.287 1.00 1.03 H new ATOM 0 HA ASN A 69 3.473 2.244 -12.177 1.00 0.94 H new ATOM 0 HB2 ASN A 69 5.543 2.653 -14.371 1.00 1.06 H new ATOM 0 HB3 ASN A 69 5.700 1.472 -13.086 1.00 1.06 H new ATOM 0 HD21 ASN A 69 3.245 0.784 -16.311 1.00 2.29 H new ATOM 0 HD22 ASN A 69 4.025 2.347 -16.049 1.00 2.29 H new ATOM 1066 N THR A 70 4.626 4.975 -11.685 1.00 0.74 N ATOM 1067 CA THR A 70 5.432 5.900 -10.910 1.00 0.68 C ATOM 1068 C THR A 70 4.753 6.261 -9.592 1.00 0.63 C ATOM 1069 O THR A 70 3.606 6.713 -9.573 1.00 0.71 O ATOM 1070 CB THR A 70 5.693 7.193 -11.705 1.00 0.85 C ATOM 1071 OG1 THR A 70 6.148 6.871 -13.024 1.00 0.97 O ATOM 1072 CG2 THR A 70 6.727 8.066 -11.007 1.00 0.89 C ATOM 0 H THR A 70 3.765 5.375 -12.058 1.00 0.74 H new ATOM 0 HA THR A 70 6.377 5.401 -10.698 1.00 0.68 H new ATOM 0 HB THR A 70 4.757 7.748 -11.765 1.00 0.85 H new ATOM 0 HG1 THR A 70 6.310 7.698 -13.525 1.00 0.97 H new ATOM 0 HG21 THR A 70 6.892 8.972 -11.590 1.00 0.89 H new ATOM 0 HG22 THR A 70 6.366 8.334 -10.014 1.00 0.89 H new ATOM 0 HG23 THR A 70 7.665 7.518 -10.916 1.00 0.89 H new ATOM 1080 N VAL A 71 5.465 6.033 -8.496 1.00 0.56 N ATOM 1081 CA VAL A 71 5.020 6.462 -7.179 1.00 0.58 C ATOM 1082 C VAL A 71 6.123 7.290 -6.529 1.00 0.57 C ATOM 1083 O VAL A 71 7.164 6.758 -6.144 1.00 0.57 O ATOM 1084 CB VAL A 71 4.665 5.269 -6.264 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.093 5.753 -4.937 1.00 0.68 C ATOM 1086 CG2 VAL A 71 3.689 4.328 -6.952 1.00 0.65 C ATOM 0 H VAL A 71 6.362 5.548 -8.496 1.00 0.56 H new ATOM 0 HA VAL A 71 4.115 7.055 -7.307 1.00 0.58 H new ATOM 0 HB VAL A 71 5.584 4.719 -6.061 1.00 0.60 H new ATOM 0 HG11 VAL A 71 3.851 4.895 -4.310 1.00 0.68 H new ATOM 0 HG12 VAL A 71 4.829 6.377 -4.429 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.189 6.334 -5.121 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.455 3.497 -6.287 1.00 0.65 H new ATOM 0 HG22 VAL A 71 2.773 4.867 -7.195 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.138 3.945 -7.868 1.00 0.65 H new ATOM 1096 N THR A 72 5.900 8.588 -6.422 1.00 0.63 N ATOM 1097 CA THR A 72 6.919 9.494 -5.913 1.00 0.66 C ATOM 1098 C THR A 72 6.568 9.982 -4.509 1.00 0.70 C ATOM 1099 O THR A 72 5.450 10.430 -4.262 1.00 0.78 O ATOM 1100 CB THR A 72 7.091 10.706 -6.855 1.00 0.75 C ATOM 1101 OG1 THR A 72 7.382 10.250 -8.183 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.209 11.625 -6.375 1.00 0.80 C ATOM 0 H THR A 72 5.023 9.040 -6.680 1.00 0.63 H new ATOM 0 HA THR A 72 7.858 8.942 -5.867 1.00 0.66 H new ATOM 0 HB THR A 72 6.159 11.271 -6.853 1.00 0.75 H new ATOM 0 HG1 THR A 72 7.489 11.022 -8.778 1.00 0.76 H new ATOM 0 HG21 THR A 72 8.305 12.468 -7.059 1.00 0.80 H new ATOM 0 HG22 THR A 72 7.974 11.993 -5.376 1.00 0.80 H new ATOM 0 HG23 THR A 72 9.148 11.072 -6.347 1.00 0.80 H new ATOM 1110 N VAL A 73 7.525 9.875 -3.597 1.00 0.70 N ATOM 1111 CA VAL A 73 7.352 10.342 -2.230 1.00 0.76 C ATOM 1112 C VAL A 73 8.284 11.520 -1.960 1.00 0.90 C ATOM 1113 O VAL A 73 9.496 11.349 -1.815 1.00 1.01 O ATOM 1114 CB VAL A 73 7.631 9.221 -1.202 1.00 0.79 C ATOM 1115 CG1 VAL A 73 7.371 9.708 0.217 1.00 0.89 C ATOM 1116 CG2 VAL A 73 6.794 7.988 -1.506 1.00 0.75 C ATOM 0 H VAL A 73 8.439 9.464 -3.784 1.00 0.70 H new ATOM 0 HA VAL A 73 6.314 10.655 -2.118 1.00 0.76 H new ATOM 0 HB VAL A 73 8.683 8.948 -1.281 1.00 0.79 H new ATOM 0 HG11 VAL A 73 7.574 8.901 0.921 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.022 10.554 0.436 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.330 10.018 0.310 1.00 0.89 H new ATOM 0 HG21 VAL A 73 7.007 7.213 -0.770 1.00 0.75 H new ATOM 0 HG22 VAL A 73 5.736 8.247 -1.464 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.038 7.619 -2.502 1.00 0.75 H new ATOM 1126 N THR A 74 7.714 12.711 -1.914 1.00 0.97 N ATOM 1127 CA THR A 74 8.490 13.922 -1.703 1.00 1.15 C ATOM 1128 C THR A 74 7.935 14.712 -0.517 1.00 1.11 C ATOM 1129 O THR A 74 6.740 14.642 -0.213 1.00 0.99 O ATOM 1130 CB THR A 74 8.493 14.797 -2.981 1.00 1.38 C ATOM 1131 OG1 THR A 74 9.429 15.877 -2.853 1.00 1.87 O ATOM 1132 CG2 THR A 74 7.106 15.357 -3.279 1.00 1.47 C ATOM 0 H THR A 74 6.712 12.867 -2.020 1.00 0.97 H new ATOM 0 HA THR A 74 9.518 13.637 -1.479 1.00 1.15 H new ATOM 0 HB THR A 74 8.792 14.157 -3.811 1.00 1.38 H new ATOM 0 HG1 THR A 74 9.418 16.418 -3.670 1.00 1.87 H new ATOM 0 HG21 THR A 74 7.146 15.966 -4.182 1.00 1.47 H new ATOM 0 HG22 THR A 74 6.406 14.535 -3.426 1.00 1.47 H new ATOM 0 HG23 THR A 74 6.774 15.971 -2.442 1.00 1.47 H new