USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 952 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 54 ASN : amide:sc=-0.00602 K(o=0.077,f=-2!) USER MOD Set 1.2: A 84 SER OG : rot -94:sc= 0.0828 USER MOD Single : A 4 TYR OH : rot 180:sc= -0.548 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -83:sc= -1.49 USER MOD Single : A 12 HIS : no HD1:sc= -0.79 X(o=-0.79,f=-0.83) USER MOD Single : A 16 THR OG1 : rot -104:sc= 0.188 USER MOD Single : A 17 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.87) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc=-0.00295 (180deg=-0.0993) USER MOD Single : A 28 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.27) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 30:sc=-0.00951 USER MOD Single : A 59 THR OG1 : rot 34:sc= 0.0223 USER MOD Single : A 61 HIS : no HE2:sc= -0.712 K(o=-0.71,f=-2.2) USER MOD Single : A 62 TYR OH : rot -30:sc= -1.03 USER MOD Single : A 64 THR OG1 : rot 82:sc= 0.159 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0296) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 29:sc= 0.56 USER MOD Single : A 95 SER OG : rot 110:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.967 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.4 X(o=0.4,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 115 TYR OH : rot -179:sc= -2.33! USER MOD Single : A 116 CYS SG : rot 146:sc= -10.1! USER MOD Single : A 119 LYS NZ :NH3+ -174:sc= 0.632 (180deg=0.611) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -7.220 -19.148 -13.109 1.00 0.00 N ATOM 2 CA TYR A 4 -7.899 -17.869 -13.349 1.00 0.00 C ATOM 3 C TYR A 4 -7.815 -17.039 -12.070 1.00 0.00 C ATOM 4 O TYR A 4 -8.269 -17.454 -11.000 1.00 0.00 O ATOM 5 CB TYR A 4 -9.362 -18.131 -13.723 1.00 0.00 C ATOM 6 CG TYR A 4 -9.970 -17.042 -14.591 1.00 0.00 C ATOM 7 CD1 TYR A 4 -10.391 -15.863 -14.053 1.00 0.00 C ATOM 8 CD2 TYR A 4 -10.076 -17.245 -15.931 1.00 0.00 C ATOM 9 CE1 TYR A 4 -10.907 -14.895 -14.854 1.00 0.00 C ATOM 10 CE2 TYR A 4 -10.592 -16.277 -16.732 1.00 0.00 C ATOM 11 CZ TYR A 4 -11.005 -15.103 -16.194 1.00 0.00 C ATOM 12 OH TYR A 4 -11.503 -14.128 -17.016 1.00 0.00 O ATOM 0 HA TYR A 4 -7.426 -17.329 -14.169 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.429 -19.084 -14.249 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.950 -18.228 -12.811 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.314 -15.698 -12.988 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.748 -18.180 -16.361 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.239 -13.960 -14.427 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.673 -16.442 -17.796 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.500 -14.448 -17.942 1.00 0.00 H new ATOM 22 N LYS A 5 -7.198 -15.875 -12.176 1.00 0.00 N ATOM 23 CA LYS A 5 -6.858 -15.099 -10.990 1.00 0.00 C ATOM 24 C LYS A 5 -7.947 -14.071 -10.682 1.00 0.00 C ATOM 25 O LYS A 5 -8.485 -13.413 -11.573 1.00 0.00 O ATOM 26 CB LYS A 5 -5.540 -14.377 -11.292 1.00 0.00 C ATOM 27 CG LYS A 5 -4.353 -15.328 -11.501 1.00 0.00 C ATOM 28 CD LYS A 5 -3.053 -14.548 -11.703 1.00 0.00 C ATOM 29 CE LYS A 5 -1.871 -15.494 -11.923 1.00 0.00 C ATOM 30 NZ LYS A 5 -0.632 -14.726 -12.116 1.00 0.00 N ATOM 0 H LYS A 5 -6.923 -15.447 -13.060 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.766 -15.753 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.667 -13.765 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.311 -13.698 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.255 -15.988 -10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.539 -15.962 -12.368 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.154 -13.882 -12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.863 -13.920 -10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.765 -16.160 -11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.057 -16.123 -12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.163 -15.380 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.732 -14.109 -12.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.449 -14.145 -11.273 1.00 0.00 H new ATOM 44 N THR A 6 -8.211 -13.885 -9.392 1.00 0.00 N ATOM 45 CA THR A 6 -8.932 -12.681 -8.956 1.00 0.00 C ATOM 46 C THR A 6 -7.872 -11.661 -8.527 1.00 0.00 C ATOM 47 O THR A 6 -6.854 -12.035 -7.939 1.00 0.00 O ATOM 48 CB THR A 6 -9.886 -13.046 -7.806 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.573 -11.882 -7.384 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.205 -13.668 -6.585 1.00 0.00 C ATOM 0 H THR A 6 -7.948 -14.528 -8.645 1.00 0.00 H new ATOM 0 HA THR A 6 -9.544 -12.256 -9.751 1.00 0.00 H new ATOM 0 HB THR A 6 -10.558 -13.803 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.012 -11.381 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.954 -13.893 -5.826 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.700 -14.588 -6.879 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.475 -12.967 -6.179 1.00 0.00 H new ATOM 58 N GLY A 7 -8.078 -10.380 -8.829 1.00 0.00 N ATOM 59 CA GLY A 7 -7.077 -9.391 -8.409 1.00 0.00 C ATOM 60 C GLY A 7 -7.640 -8.135 -7.757 1.00 0.00 C ATOM 61 O GLY A 7 -8.737 -8.077 -7.204 1.00 0.00 O ATOM 0 H GLY A 7 -8.883 -10.012 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.390 -9.867 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.492 -9.098 -9.280 1.00 0.00 H new ATOM 65 N LEU A 8 -6.770 -7.142 -7.793 1.00 0.00 N ATOM 66 CA LEU A 8 -7.013 -5.860 -7.131 1.00 0.00 C ATOM 67 C LEU A 8 -6.644 -4.759 -8.106 1.00 0.00 C ATOM 68 O LEU A 8 -5.611 -4.828 -8.773 1.00 0.00 O ATOM 69 CB LEU A 8 -6.078 -5.787 -5.908 1.00 0.00 C ATOM 70 CG LEU A 8 -6.814 -5.983 -4.586 1.00 0.00 C ATOM 71 CD1 LEU A 8 -5.768 -6.012 -3.471 1.00 0.00 C ATOM 72 CD2 LEU A 8 -7.834 -4.868 -4.339 1.00 0.00 C ATOM 0 H LEU A 8 -5.875 -7.195 -8.279 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.053 -5.755 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.303 -6.548 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.575 -4.820 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.373 -6.919 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.264 -6.151 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.075 -6.835 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.219 -5.070 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.339 -5.041 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.322 -3.906 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.569 -4.862 -5.144 1.00 0.00 H new ATOM 84 N LEU A 9 -7.443 -3.700 -8.146 1.00 0.00 N ATOM 85 CA LEU A 9 -7.042 -2.517 -8.876 1.00 0.00 C ATOM 86 C LEU A 9 -7.092 -1.328 -7.908 1.00 0.00 C ATOM 87 O LEU A 9 -8.068 -1.085 -7.201 1.00 0.00 O ATOM 88 CB LEU A 9 -7.954 -2.474 -10.097 1.00 0.00 C ATOM 89 CG LEU A 9 -8.038 -1.095 -10.725 1.00 0.00 C ATOM 90 CD1 LEU A 9 -6.690 -0.732 -11.319 1.00 0.00 C ATOM 91 CD2 LEU A 9 -9.085 -1.157 -11.812 1.00 0.00 C ATOM 0 H LEU A 9 -8.353 -3.640 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.019 -2.501 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.591 -3.184 -10.840 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.954 -2.798 -9.808 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.304 -0.341 -9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.746 0.258 -11.771 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.935 -0.730 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.419 -1.464 -12.080 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.174 -0.180 -12.288 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.793 -1.898 -12.556 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.044 -1.437 -11.377 1.00 0.00 H new ATOM 103 N LEU A 10 -5.985 -0.602 -7.916 1.00 0.00 N ATOM 104 CA LEU A 10 -5.852 0.636 -7.138 1.00 0.00 C ATOM 105 C LEU A 10 -5.727 1.795 -8.126 1.00 0.00 C ATOM 106 O LEU A 10 -4.846 1.819 -8.983 1.00 0.00 O ATOM 107 CB LEU A 10 -4.668 0.641 -6.155 1.00 0.00 C ATOM 108 CG LEU A 10 -5.003 0.038 -4.791 1.00 0.00 C ATOM 109 CD1 LEU A 10 -5.163 -1.484 -4.861 1.00 0.00 C ATOM 110 CD2 LEU A 10 -3.913 0.395 -3.784 1.00 0.00 C ATOM 0 H LEU A 10 -5.154 -0.846 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.739 0.731 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.839 0.086 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.327 1.667 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.957 0.458 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.401 -1.871 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.969 -1.734 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.233 -1.932 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.158 -0.038 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.957 -0.001 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.845 1.479 -3.691 1.00 0.00 H new ATOM 122 N ILE A 11 -6.662 2.727 -8.037 1.00 0.00 N ATOM 123 CA ILE A 11 -6.755 3.792 -9.049 1.00 0.00 C ATOM 124 C ILE A 11 -6.608 5.143 -8.339 1.00 0.00 C ATOM 125 O ILE A 11 -7.203 5.362 -7.284 1.00 0.00 O ATOM 126 CB ILE A 11 -8.125 3.752 -9.768 1.00 0.00 C ATOM 127 CG1 ILE A 11 -8.654 2.334 -10.053 1.00 0.00 C ATOM 128 CG2 ILE A 11 -7.997 4.507 -11.090 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.078 2.327 -10.618 1.00 0.00 C ATOM 0 H ILE A 11 -7.359 2.777 -7.294 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.969 3.649 -9.791 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.846 4.214 -9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.987 1.839 -10.759 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.632 1.752 -9.131 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.953 4.490 -11.613 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.709 5.540 -10.893 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.237 4.030 -11.709 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.393 1.299 -10.798 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.755 2.795 -9.903 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.100 2.882 -11.556 1.00 0.00 H new ATOM 141 N HIS A 12 -5.888 6.089 -8.934 1.00 0.00 N ATOM 142 CA HIS A 12 -5.985 7.475 -8.465 1.00 0.00 C ATOM 143 C HIS A 12 -7.045 8.177 -9.338 1.00 0.00 C ATOM 144 O HIS A 12 -6.973 8.097 -10.565 1.00 0.00 O ATOM 145 CB HIS A 12 -4.610 8.133 -8.608 1.00 0.00 C ATOM 146 CG HIS A 12 -4.589 9.653 -8.508 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.172 10.410 -7.500 1.00 0.00 N ATOM 148 CD2 HIS A 12 -4.060 10.478 -9.513 1.00 0.00 C ATOM 149 CE1 HIS A 12 -4.929 11.661 -8.018 1.00 0.00 C ATOM 150 NE2 HIS A 12 -4.256 11.804 -9.198 1.00 0.00 N ATOM 0 H HIS A 12 -5.251 5.935 -9.715 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.281 7.539 -7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.953 7.728 -7.839 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.189 7.845 -9.571 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.569 10.123 -10.407 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.273 12.537 -7.488 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.979 12.648 -9.700 1.00 0.00 H new ATOM 158 N PRO A 13 -8.032 8.870 -8.757 1.00 0.00 N ATOM 159 CA PRO A 13 -9.182 9.378 -9.523 1.00 0.00 C ATOM 160 C PRO A 13 -8.989 10.370 -10.672 1.00 0.00 C ATOM 161 O PRO A 13 -9.958 10.630 -11.386 1.00 0.00 O ATOM 162 CB PRO A 13 -9.944 10.113 -8.427 1.00 0.00 C ATOM 163 CG PRO A 13 -9.750 9.247 -7.192 1.00 0.00 C ATOM 164 CD PRO A 13 -8.299 8.794 -7.311 1.00 0.00 C ATOM 0 HA PRO A 13 -9.621 8.531 -10.050 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.551 11.118 -8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.000 10.218 -8.678 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.923 9.809 -6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.437 8.401 -7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.629 9.441 -6.745 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.162 7.782 -6.930 1.00 0.00 H new ATOM 172 N ALA A 14 -7.844 11.040 -10.797 1.00 0.00 N ATOM 173 CA ALA A 14 -7.815 12.252 -11.646 1.00 0.00 C ATOM 174 C ALA A 14 -8.198 11.975 -13.102 1.00 0.00 C ATOM 175 O ALA A 14 -9.037 12.680 -13.662 1.00 0.00 O ATOM 176 CB ALA A 14 -6.458 12.946 -11.516 1.00 0.00 C ATOM 0 H ALA A 14 -6.961 10.790 -10.351 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.584 12.933 -11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.444 13.837 -12.143 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.293 13.231 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.669 12.265 -11.835 1.00 0.00 H new ATOM 182 N VAL A 15 -7.579 10.987 -13.732 1.00 0.00 N ATOM 183 CA VAL A 15 -7.770 10.795 -15.186 1.00 0.00 C ATOM 184 C VAL A 15 -8.885 9.719 -15.310 1.00 0.00 C ATOM 185 O VAL A 15 -9.641 9.687 -16.284 1.00 0.00 O ATOM 186 CB VAL A 15 -6.467 10.414 -15.915 1.00 0.00 C ATOM 187 CG1 VAL A 15 -6.705 10.242 -17.419 1.00 0.00 C ATOM 188 CG2 VAL A 15 -5.389 11.486 -15.717 1.00 0.00 C ATOM 0 H VAL A 15 -6.954 10.316 -13.286 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.065 11.722 -15.678 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.130 9.470 -15.486 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.768 9.973 -17.907 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.439 9.453 -17.583 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.077 11.177 -17.838 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.481 11.190 -16.242 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.744 12.437 -16.114 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.174 11.594 -14.654 1.00 0.00 H new ATOM 198 N THR A 16 -8.955 8.824 -14.317 1.00 0.00 N ATOM 199 CA THR A 16 -9.797 7.629 -14.360 1.00 0.00 C ATOM 200 C THR A 16 -11.249 7.854 -13.889 1.00 0.00 C ATOM 201 O THR A 16 -12.039 6.910 -13.944 1.00 0.00 O ATOM 202 CB THR A 16 -9.118 6.579 -13.472 1.00 0.00 C ATOM 203 OG1 THR A 16 -9.002 7.083 -12.149 1.00 0.00 O ATOM 204 CG2 THR A 16 -7.728 6.197 -13.997 1.00 0.00 C ATOM 0 H THR A 16 -8.421 8.913 -13.452 1.00 0.00 H new ATOM 0 HA THR A 16 -9.885 7.312 -15.399 1.00 0.00 H new ATOM 0 HB THR A 16 -9.737 5.682 -13.484 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.076 7.360 -11.984 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.283 5.451 -13.339 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.819 5.786 -15.002 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.093 7.083 -14.024 1.00 0.00 H new ATOM 212 N THR A 17 -11.659 9.067 -13.492 1.00 0.00 N ATOM 213 CA THR A 17 -13.097 9.303 -13.254 1.00 0.00 C ATOM 214 C THR A 17 -13.901 9.458 -14.570 1.00 0.00 C ATOM 215 O THR A 17 -15.129 9.524 -14.543 1.00 0.00 O ATOM 216 CB THR A 17 -13.208 10.552 -12.362 1.00 0.00 C ATOM 217 OG1 THR A 17 -12.616 10.273 -11.100 1.00 0.00 O ATOM 218 CG2 THR A 17 -14.653 10.985 -12.111 1.00 0.00 C ATOM 0 H THR A 17 -11.050 9.870 -13.333 1.00 0.00 H new ATOM 0 HA THR A 17 -13.538 8.438 -12.759 1.00 0.00 H new ATOM 0 HB THR A 17 -12.699 11.360 -12.888 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.674 10.541 -11.114 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.662 11.871 -11.476 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.134 11.215 -13.062 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.194 10.178 -11.617 1.00 0.00 H new ATOM 226 N THR A 18 -13.241 9.359 -15.723 1.00 0.00 N ATOM 227 CA THR A 18 -13.965 9.108 -16.975 1.00 0.00 C ATOM 228 C THR A 18 -13.836 7.579 -17.256 1.00 0.00 C ATOM 229 O THR A 18 -13.025 6.904 -16.618 1.00 0.00 O ATOM 230 CB THR A 18 -13.175 10.018 -17.959 1.00 0.00 C ATOM 231 OG1 THR A 18 -13.248 11.363 -17.495 1.00 0.00 O ATOM 232 CG2 THR A 18 -13.601 10.050 -19.429 1.00 0.00 C ATOM 0 H THR A 18 -12.229 9.446 -15.820 1.00 0.00 H new ATOM 0 HA THR A 18 -15.032 9.329 -17.015 1.00 0.00 H new ATOM 0 HB THR A 18 -12.182 9.567 -17.957 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.752 11.947 -18.106 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.952 10.730 -19.981 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.521 9.049 -19.853 1.00 0.00 H new ATOM 0 HG23 THR A 18 -14.633 10.394 -19.501 1.00 0.00 H new ATOM 240 N PRO A 19 -14.578 6.975 -18.195 1.00 0.00 N ATOM 241 CA PRO A 19 -14.594 5.493 -18.307 1.00 0.00 C ATOM 242 C PRO A 19 -13.393 4.811 -18.983 1.00 0.00 C ATOM 243 O PRO A 19 -13.351 3.582 -19.044 1.00 0.00 O ATOM 244 CB PRO A 19 -15.907 5.186 -19.041 1.00 0.00 C ATOM 245 CG PRO A 19 -16.396 6.518 -19.596 1.00 0.00 C ATOM 246 CD PRO A 19 -15.874 7.534 -18.593 1.00 0.00 C ATOM 0 HA PRO A 19 -14.518 5.072 -17.304 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -15.747 4.464 -19.842 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.642 4.752 -18.363 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.005 6.704 -20.596 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.483 6.548 -19.668 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.766 8.522 -19.040 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.545 7.641 -17.741 1.00 0.00 H new ATOM 254 N GLU A 20 -12.463 5.559 -19.568 1.00 0.00 N ATOM 255 CA GLU A 20 -11.580 4.958 -20.585 1.00 0.00 C ATOM 256 C GLU A 20 -10.497 4.025 -20.030 1.00 0.00 C ATOM 257 O GLU A 20 -10.370 2.900 -20.512 1.00 0.00 O ATOM 258 CB GLU A 20 -10.916 6.064 -21.415 1.00 0.00 C ATOM 259 CG GLU A 20 -11.905 6.822 -22.308 1.00 0.00 C ATOM 260 CD GLU A 20 -11.209 7.941 -23.071 1.00 0.00 C ATOM 261 OE1 GLU A 20 -10.706 7.688 -24.187 1.00 0.00 O ATOM 262 OE2 GLU A 20 -11.160 9.080 -22.558 1.00 0.00 O ATOM 0 H GLU A 20 -12.297 6.546 -19.372 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.229 4.333 -21.198 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.427 6.770 -20.744 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.137 5.625 -22.038 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.367 6.130 -23.012 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.706 7.238 -21.697 1.00 0.00 H new ATOM 269 N LEU A 21 -9.719 4.444 -19.031 1.00 0.00 N ATOM 270 CA LEU A 21 -8.687 3.551 -18.465 1.00 0.00 C ATOM 271 C LEU A 21 -9.292 2.370 -17.680 1.00 0.00 C ATOM 272 O LEU A 21 -8.694 1.298 -17.610 1.00 0.00 O ATOM 273 CB LEU A 21 -7.729 4.340 -17.560 1.00 0.00 C ATOM 274 CG LEU A 21 -6.699 5.199 -18.313 1.00 0.00 C ATOM 275 CD1 LEU A 21 -7.321 6.433 -18.976 1.00 0.00 C ATOM 276 CD2 LEU A 21 -5.617 5.658 -17.333 1.00 0.00 C ATOM 0 H LEU A 21 -9.774 5.368 -18.602 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.136 3.136 -19.309 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.316 4.988 -16.909 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.197 3.639 -16.917 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.281 4.578 -19.105 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.545 6.999 -19.492 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.078 6.118 -19.694 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.783 7.061 -18.214 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.883 6.268 -17.860 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.073 6.247 -16.537 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.123 4.787 -16.903 1.00 0.00 H new ATOM 288 N VAL A 22 -10.468 2.563 -17.082 1.00 0.00 N ATOM 289 CA VAL A 22 -11.168 1.458 -16.397 1.00 0.00 C ATOM 290 C VAL A 22 -11.614 0.388 -17.414 1.00 0.00 C ATOM 291 O VAL A 22 -11.302 -0.786 -17.232 1.00 0.00 O ATOM 292 CB VAL A 22 -12.323 2.081 -15.584 1.00 0.00 C ATOM 293 CG1 VAL A 22 -13.400 1.077 -15.163 1.00 0.00 C ATOM 294 CG2 VAL A 22 -11.765 2.743 -14.319 1.00 0.00 C ATOM 0 H VAL A 22 -10.956 3.458 -17.053 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.515 0.927 -15.705 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.796 2.806 -16.247 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.176 1.592 -14.596 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.840 0.622 -16.050 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.952 0.301 -14.542 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.583 3.182 -13.747 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.257 1.995 -13.710 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.058 3.524 -14.599 1.00 0.00 H new ATOM 304 N GLU A 23 -12.280 0.759 -18.506 1.00 0.00 N ATOM 305 CA GLU A 23 -12.619 -0.229 -19.553 1.00 0.00 C ATOM 306 C GLU A 23 -11.384 -0.900 -20.179 1.00 0.00 C ATOM 307 O GLU A 23 -11.384 -2.097 -20.447 1.00 0.00 O ATOM 308 CB GLU A 23 -13.435 0.475 -20.646 1.00 0.00 C ATOM 309 CG GLU A 23 -14.944 0.360 -20.428 1.00 0.00 C ATOM 310 CD GLU A 23 -15.439 0.934 -19.103 1.00 0.00 C ATOM 311 OE1 GLU A 23 -15.436 0.198 -18.090 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.848 2.112 -19.070 1.00 0.00 O ATOM 0 H GLU A 23 -12.594 1.711 -18.696 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.195 -1.024 -19.080 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.157 1.528 -20.679 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.179 0.048 -21.616 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.456 0.870 -21.244 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.227 -0.691 -20.482 1.00 0.00 H new ATOM 319 N ASN A 24 -10.341 -0.113 -20.398 1.00 0.00 N ATOM 320 CA ASN A 24 -9.064 -0.624 -20.922 1.00 0.00 C ATOM 321 C ASN A 24 -8.391 -1.690 -20.043 1.00 0.00 C ATOM 322 O ASN A 24 -8.004 -2.745 -20.546 1.00 0.00 O ATOM 323 CB ASN A 24 -8.141 0.595 -20.986 1.00 0.00 C ATOM 324 CG ASN A 24 -8.345 1.486 -22.211 1.00 0.00 C ATOM 325 OD1 ASN A 24 -9.117 1.189 -23.123 1.00 0.00 O ATOM 326 ND2 ASN A 24 -7.646 2.605 -22.245 1.00 0.00 N ATOM 0 H ASN A 24 -10.346 0.892 -20.222 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.251 -1.110 -21.879 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.291 1.195 -20.088 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.107 0.252 -20.971 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.740 3.241 -23.037 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.012 2.833 -21.480 1.00 0.00 H new ATOM 333 N THR A 25 -8.234 -1.436 -18.741 1.00 0.00 N ATOM 334 CA THR A 25 -7.611 -2.441 -17.861 1.00 0.00 C ATOM 335 C THR A 25 -8.510 -3.678 -17.684 1.00 0.00 C ATOM 336 O THR A 25 -8.019 -4.805 -17.616 1.00 0.00 O ATOM 337 CB THR A 25 -7.187 -1.812 -16.524 1.00 0.00 C ATOM 338 OG1 THR A 25 -6.324 -2.712 -15.842 1.00 0.00 O ATOM 339 CG2 THR A 25 -8.349 -1.457 -15.592 1.00 0.00 C ATOM 0 H THR A 25 -8.518 -0.572 -18.279 1.00 0.00 H new ATOM 0 HA THR A 25 -6.701 -2.799 -18.344 1.00 0.00 H new ATOM 0 HB THR A 25 -6.692 -0.874 -16.777 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.048 -2.317 -14.989 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.958 -1.019 -14.674 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.005 -0.740 -16.085 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.912 -2.359 -15.353 1.00 0.00 H new ATOM 347 N LYS A 26 -9.826 -3.473 -17.664 1.00 0.00 N ATOM 348 CA LYS A 26 -10.772 -4.596 -17.699 1.00 0.00 C ATOM 349 C LYS A 26 -10.739 -5.347 -19.046 1.00 0.00 C ATOM 350 O LYS A 26 -11.013 -6.546 -19.071 1.00 0.00 O ATOM 351 CB LYS A 26 -12.185 -4.078 -17.401 1.00 0.00 C ATOM 352 CG LYS A 26 -12.280 -3.348 -16.051 1.00 0.00 C ATOM 353 CD LYS A 26 -13.636 -2.658 -15.851 1.00 0.00 C ATOM 354 CE LYS A 26 -14.812 -3.631 -15.717 1.00 0.00 C ATOM 355 NZ LYS A 26 -14.690 -4.461 -14.507 1.00 0.00 N ATOM 0 H LYS A 26 -10.262 -2.552 -17.624 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.474 -5.314 -16.935 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.494 -3.401 -18.197 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.883 -4.916 -17.406 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.116 -4.061 -15.243 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.485 -2.605 -15.986 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.588 -2.036 -14.957 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.822 -1.992 -16.694 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.747 -3.071 -15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.857 -4.273 -16.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.576 -4.985 -14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.906 -5.134 -14.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.502 -3.852 -13.685 1.00 0.00 H new ATOM 369 N ALA A 27 -10.426 -4.681 -20.164 1.00 0.00 N ATOM 370 CA ALA A 27 -10.309 -5.397 -21.449 1.00 0.00 C ATOM 371 C ALA A 27 -9.087 -6.329 -21.488 1.00 0.00 C ATOM 372 O ALA A 27 -9.198 -7.495 -21.871 1.00 0.00 O ATOM 373 CB ALA A 27 -10.256 -4.382 -22.593 1.00 0.00 C ATOM 0 H ALA A 27 -10.253 -3.677 -20.212 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.188 -6.032 -21.564 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.170 -4.909 -23.543 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.167 -3.784 -22.591 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.393 -3.729 -22.460 1.00 0.00 H new ATOM 379 N GLN A 28 -7.925 -5.828 -21.069 1.00 0.00 N ATOM 380 CA GLN A 28 -6.722 -6.653 -20.926 1.00 0.00 C ATOM 381 C GLN A 28 -6.912 -7.856 -19.993 1.00 0.00 C ATOM 382 O GLN A 28 -6.584 -8.990 -20.347 1.00 0.00 O ATOM 383 CB GLN A 28 -5.722 -5.664 -20.333 1.00 0.00 C ATOM 384 CG GLN A 28 -4.265 -6.001 -20.614 1.00 0.00 C ATOM 385 CD GLN A 28 -3.734 -7.201 -19.830 1.00 0.00 C ATOM 386 OE1 GLN A 28 -3.418 -8.248 -20.391 1.00 0.00 O ATOM 387 NE2 GLN A 28 -3.627 -7.065 -18.519 1.00 0.00 N ATOM 0 H GLN A 28 -7.790 -4.848 -20.821 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.418 -7.102 -21.872 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.935 -4.670 -20.727 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.870 -5.618 -19.254 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.149 -6.198 -21.680 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.652 -5.130 -20.382 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.895 -6.187 -18.074 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.277 -7.838 -17.953 1.00 0.00 H new ATOM 396 N ALA A 29 -7.474 -7.599 -18.810 1.00 0.00 N ATOM 397 CA ALA A 29 -7.921 -8.678 -17.918 1.00 0.00 C ATOM 398 C ALA A 29 -8.817 -9.686 -18.656 1.00 0.00 C ATOM 399 O ALA A 29 -8.609 -10.897 -18.567 1.00 0.00 O ATOM 400 CB ALA A 29 -8.673 -8.017 -16.760 1.00 0.00 C ATOM 0 H ALA A 29 -7.631 -6.659 -18.446 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.066 -9.245 -17.551 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.025 -8.784 -16.070 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.005 -7.335 -16.235 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.526 -7.461 -17.150 1.00 0.00 H new ATOM 406 N ALA A 30 -9.818 -9.192 -19.384 1.00 0.00 N ATOM 407 CA ALA A 30 -10.843 -10.094 -19.942 1.00 0.00 C ATOM 408 C ALA A 30 -10.252 -11.089 -20.956 1.00 0.00 C ATOM 409 O ALA A 30 -10.521 -12.288 -20.869 1.00 0.00 O ATOM 410 CB ALA A 30 -11.958 -9.262 -20.584 1.00 0.00 C ATOM 0 H ALA A 30 -9.946 -8.204 -19.601 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.253 -10.687 -19.125 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.716 -9.927 -20.997 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.411 -8.618 -19.830 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.540 -8.648 -21.382 1.00 0.00 H new ATOM 416 N SER A 31 -9.484 -10.607 -21.933 1.00 0.00 N ATOM 417 CA SER A 31 -9.060 -11.473 -23.046 1.00 0.00 C ATOM 418 C SER A 31 -7.942 -12.464 -22.656 1.00 0.00 C ATOM 419 O SER A 31 -7.771 -13.492 -23.311 1.00 0.00 O ATOM 420 CB SER A 31 -8.595 -10.573 -24.197 1.00 0.00 C ATOM 421 OG SER A 31 -8.286 -11.357 -25.342 1.00 0.00 O ATOM 0 H SER A 31 -9.146 -9.646 -21.983 1.00 0.00 H new ATOM 0 HA SER A 31 -9.911 -12.087 -23.343 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.375 -9.852 -24.441 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.718 -10.003 -23.891 1.00 0.00 H new ATOM 0 HG SER A 31 -7.992 -10.771 -26.070 1.00 0.00 H new ATOM 427 N LYS A 32 -7.218 -12.196 -21.566 1.00 0.00 N ATOM 428 CA LYS A 32 -6.283 -13.182 -21.011 1.00 0.00 C ATOM 429 C LYS A 32 -6.996 -14.146 -20.048 1.00 0.00 C ATOM 430 O LYS A 32 -7.761 -15.014 -20.472 1.00 0.00 O ATOM 431 CB LYS A 32 -5.097 -12.387 -20.425 1.00 0.00 C ATOM 432 CG LYS A 32 -3.885 -13.272 -20.105 1.00 0.00 C ATOM 433 CD LYS A 32 -2.738 -12.440 -19.528 1.00 0.00 C ATOM 434 CE LYS A 32 -1.530 -13.316 -19.198 1.00 0.00 C ATOM 435 NZ LYS A 32 -0.442 -12.497 -18.643 1.00 0.00 N ATOM 0 H LYS A 32 -7.259 -11.315 -21.054 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.883 -13.857 -21.768 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.799 -11.614 -21.133 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.420 -11.879 -19.516 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.172 -14.045 -19.393 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.552 -13.780 -21.010 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.448 -11.671 -20.244 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.075 -11.927 -18.627 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.816 -14.087 -18.482 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.187 -13.828 -20.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.373 -13.105 -18.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.159 -11.778 -19.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.769 -12.028 -17.774 1.00 0.00 H new ATOM 449 N LYS A 33 -6.685 -14.037 -18.767 1.00 0.00 N ATOM 450 CA LYS A 33 -7.061 -15.074 -17.792 1.00 0.00 C ATOM 451 C LYS A 33 -7.314 -14.539 -16.374 1.00 0.00 C ATOM 452 O LYS A 33 -7.840 -15.251 -15.522 1.00 0.00 O ATOM 453 CB LYS A 33 -5.913 -16.099 -17.718 1.00 0.00 C ATOM 454 CG LYS A 33 -6.339 -17.508 -17.297 1.00 0.00 C ATOM 455 CD LYS A 33 -7.280 -18.109 -18.341 1.00 0.00 C ATOM 456 CE LYS A 33 -7.680 -19.540 -17.974 1.00 0.00 C ATOM 457 NZ LYS A 33 -8.622 -20.078 -18.967 1.00 0.00 N ATOM 0 H LYS A 33 -6.175 -13.248 -18.369 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.999 -15.509 -18.138 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.432 -16.156 -18.694 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.164 -15.735 -17.014 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.460 -18.142 -17.181 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.836 -17.471 -16.327 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.173 -17.490 -18.427 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.794 -18.104 -19.317 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.793 -20.171 -17.925 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.137 -19.555 -16.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.885 -21.050 -18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.475 -19.484 -18.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.173 -20.082 -19.905 1.00 0.00 H new ATOM 471 N VAL A 34 -6.972 -13.285 -16.116 1.00 0.00 N ATOM 472 CA VAL A 34 -7.362 -12.623 -14.862 1.00 0.00 C ATOM 473 C VAL A 34 -8.600 -11.726 -15.033 1.00 0.00 C ATOM 474 O VAL A 34 -8.798 -11.096 -16.068 1.00 0.00 O ATOM 475 CB VAL A 34 -6.124 -11.848 -14.349 1.00 0.00 C ATOM 476 CG1 VAL A 34 -5.473 -10.920 -15.384 1.00 0.00 C ATOM 477 CG2 VAL A 34 -6.460 -11.007 -13.119 1.00 0.00 C ATOM 0 H VAL A 34 -6.427 -12.700 -16.750 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.666 -13.364 -14.123 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.409 -12.634 -14.108 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.615 -10.420 -14.935 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.144 -11.506 -16.242 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.198 -10.174 -15.711 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.568 -10.477 -12.786 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.237 -10.286 -13.372 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.815 -11.657 -12.320 1.00 0.00 H new ATOM 487 N LYS A 35 -9.385 -11.594 -13.964 1.00 0.00 N ATOM 488 CA LYS A 35 -10.399 -10.528 -13.885 1.00 0.00 C ATOM 489 C LYS A 35 -10.193 -9.787 -12.561 1.00 0.00 C ATOM 490 O LYS A 35 -9.865 -10.380 -11.532 1.00 0.00 O ATOM 491 CB LYS A 35 -11.832 -11.069 -13.970 1.00 0.00 C ATOM 492 CG LYS A 35 -12.251 -11.364 -15.413 1.00 0.00 C ATOM 493 CD LYS A 35 -13.682 -11.903 -15.474 1.00 0.00 C ATOM 494 CE LYS A 35 -14.153 -12.066 -16.920 1.00 0.00 C ATOM 495 NZ LYS A 35 -15.528 -12.590 -16.951 1.00 0.00 N ATOM 0 H LYS A 35 -9.344 -12.202 -13.146 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.273 -9.860 -14.737 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.911 -11.980 -13.376 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.519 -10.344 -13.534 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.176 -10.455 -16.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.567 -12.090 -15.852 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.733 -12.864 -14.962 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.351 -11.224 -14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.110 -11.106 -17.434 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.486 -12.743 -17.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.837 -12.696 -17.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.558 -13.515 -16.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.163 -11.929 -16.459 1.00 0.00 H new ATOM 509 N PHE A 36 -10.411 -8.476 -12.590 1.00 0.00 N ATOM 510 CA PHE A 36 -10.285 -7.674 -11.361 1.00 0.00 C ATOM 511 C PHE A 36 -11.652 -7.569 -10.678 1.00 0.00 C ATOM 512 O PHE A 36 -12.693 -7.444 -11.326 1.00 0.00 O ATOM 513 CB PHE A 36 -9.639 -6.298 -11.592 1.00 0.00 C ATOM 514 CG PHE A 36 -8.344 -6.333 -12.395 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.268 -7.038 -11.947 1.00 0.00 C ATOM 516 CD2 PHE A 36 -8.254 -5.638 -13.564 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.126 -7.077 -12.680 1.00 0.00 C ATOM 518 CE2 PHE A 36 -7.107 -5.672 -14.290 1.00 0.00 C ATOM 519 CZ PHE A 36 -6.048 -6.399 -13.855 1.00 0.00 C ATOM 0 H PHE A 36 -10.670 -7.950 -13.425 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.595 -8.192 -10.695 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.354 -5.657 -12.108 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.439 -5.838 -10.624 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.324 -7.567 -11.007 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.096 -5.059 -13.913 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.279 -7.647 -12.329 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.038 -5.119 -15.215 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.143 -6.439 -14.442 1.00 0.00 H new ATOM 529 N VAL A 37 -11.637 -7.665 -9.352 1.00 0.00 N ATOM 530 CA VAL A 37 -12.881 -7.869 -8.586 1.00 0.00 C ATOM 531 C VAL A 37 -13.188 -6.724 -7.609 1.00 0.00 C ATOM 532 O VAL A 37 -14.356 -6.422 -7.363 1.00 0.00 O ATOM 533 CB VAL A 37 -12.836 -9.217 -7.841 1.00 0.00 C ATOM 534 CG1 VAL A 37 -12.751 -10.389 -8.823 1.00 0.00 C ATOM 535 CG2 VAL A 37 -11.737 -9.315 -6.777 1.00 0.00 C ATOM 0 H VAL A 37 -10.792 -7.607 -8.783 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.694 -7.880 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.778 -9.275 -7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.721 -11.327 -8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.624 -10.381 -9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.847 -10.294 -9.425 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.777 -10.295 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.763 -9.179 -7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.889 -8.541 -6.025 1.00 0.00 H new ATOM 545 N ASP A 38 -12.157 -6.094 -7.049 1.00 0.00 N ATOM 546 CA ASP A 38 -12.370 -4.984 -6.112 1.00 0.00 C ATOM 547 C ASP A 38 -11.678 -3.724 -6.630 1.00 0.00 C ATOM 548 O ASP A 38 -10.947 -3.713 -7.622 1.00 0.00 O ATOM 549 CB ASP A 38 -11.938 -5.312 -4.670 1.00 0.00 C ATOM 550 CG ASP A 38 -12.858 -6.323 -3.992 1.00 0.00 C ATOM 551 OD1 ASP A 38 -13.982 -5.946 -3.601 1.00 0.00 O ATOM 552 OD2 ASP A 38 -12.458 -7.499 -3.846 1.00 0.00 O ATOM 0 H ASP A 38 -11.179 -6.326 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.444 -4.807 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.921 -5.703 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.920 -4.394 -4.083 1.00 0.00 H new ATOM 557 N GLN A 39 -11.997 -2.629 -5.952 1.00 0.00 N ATOM 558 CA GLN A 39 -11.570 -1.300 -6.399 1.00 0.00 C ATOM 559 C GLN A 39 -11.163 -0.512 -5.174 1.00 0.00 C ATOM 560 O GLN A 39 -11.951 -0.343 -4.246 1.00 0.00 O ATOM 561 CB GLN A 39 -12.728 -0.565 -7.081 1.00 0.00 C ATOM 562 CG GLN A 39 -12.458 0.920 -7.332 1.00 0.00 C ATOM 563 CD GLN A 39 -13.471 1.528 -8.297 1.00 0.00 C ATOM 564 OE1 GLN A 39 -13.324 1.453 -9.516 1.00 0.00 O ATOM 565 NE2 GLN A 39 -14.512 2.144 -7.765 1.00 0.00 N ATOM 0 H GLN A 39 -12.548 -2.629 -5.093 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.747 -1.400 -7.107 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.944 -1.051 -8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.621 -0.663 -6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.489 1.460 -6.385 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.453 1.043 -7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.612 2.193 -6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.215 2.570 -8.368 1.00 0.00 H new ATOM 574 N PHE A 40 -9.943 -0.004 -5.212 1.00 0.00 N ATOM 575 CA PHE A 40 -9.443 0.782 -4.076 1.00 0.00 C ATOM 576 C PHE A 40 -8.869 2.116 -4.576 1.00 0.00 C ATOM 577 O PHE A 40 -7.780 2.168 -5.147 1.00 0.00 O ATOM 578 CB PHE A 40 -8.397 -0.020 -3.283 1.00 0.00 C ATOM 579 CG PHE A 40 -8.878 -1.254 -2.515 1.00 0.00 C ATOM 580 CD1 PHE A 40 -10.175 -1.443 -2.146 1.00 0.00 C ATOM 581 CD2 PHE A 40 -7.964 -2.220 -2.221 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.565 -2.602 -1.559 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.346 -3.363 -1.595 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.653 -3.567 -1.291 1.00 0.00 C ATOM 0 H PHE A 40 -9.290 -0.111 -5.988 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.270 1.000 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.621 -0.340 -3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.926 0.656 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.900 -0.662 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.927 -2.076 -2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.603 -2.755 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.609 -4.110 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.965 -4.496 -0.837 1.00 0.00 H new ATOM 594 N LEU A 41 -9.586 3.215 -4.345 1.00 0.00 N ATOM 595 CA LEU A 41 -9.100 4.532 -4.796 1.00 0.00 C ATOM 596 C LEU A 41 -8.147 5.111 -3.743 1.00 0.00 C ATOM 597 O LEU A 41 -8.284 4.852 -2.549 1.00 0.00 O ATOM 598 CB LEU A 41 -10.298 5.477 -5.030 1.00 0.00 C ATOM 599 CG LEU A 41 -10.870 5.432 -6.457 1.00 0.00 C ATOM 600 CD1 LEU A 41 -11.271 4.023 -6.895 1.00 0.00 C ATOM 601 CD2 LEU A 41 -12.103 6.335 -6.544 1.00 0.00 C ATOM 0 H LEU A 41 -10.484 3.229 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.559 4.424 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.090 5.222 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.989 6.498 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.078 5.776 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.667 4.056 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.398 3.371 -6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.034 3.636 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.507 6.302 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.859 5.988 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.822 7.359 -6.299 1.00 0.00 H new ATOM 613 N ILE A 42 -7.170 5.909 -4.179 1.00 0.00 N ATOM 614 CA ILE A 42 -6.186 6.469 -3.238 1.00 0.00 C ATOM 615 C ILE A 42 -6.794 7.413 -2.182 1.00 0.00 C ATOM 616 O ILE A 42 -6.421 7.348 -1.010 1.00 0.00 O ATOM 617 CB ILE A 42 -5.018 7.052 -4.066 1.00 0.00 C ATOM 618 CG1 ILE A 42 -3.786 7.385 -3.225 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.372 8.318 -4.851 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.368 6.252 -2.288 1.00 0.00 C ATOM 0 H ILE A 42 -7.036 6.180 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.787 5.678 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.799 6.242 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.955 7.623 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.988 8.279 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.497 8.660 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.179 8.099 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.692 9.097 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.488 6.555 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.184 6.029 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.134 5.363 -2.874 1.00 0.00 H new ATOM 632 N ASN A 43 -7.749 8.259 -2.564 1.00 0.00 N ATOM 633 CA ASN A 43 -8.380 9.153 -1.577 1.00 0.00 C ATOM 634 C ASN A 43 -9.479 8.455 -0.756 1.00 0.00 C ATOM 635 O ASN A 43 -9.659 8.777 0.418 1.00 0.00 O ATOM 636 CB ASN A 43 -8.979 10.375 -2.292 1.00 0.00 C ATOM 637 CG ASN A 43 -7.918 11.252 -2.958 1.00 0.00 C ATOM 638 OD1 ASN A 43 -7.106 11.894 -2.296 1.00 0.00 O ATOM 639 ND2 ASN A 43 -7.914 11.293 -4.280 1.00 0.00 N ATOM 0 H ASN A 43 -8.099 8.349 -3.518 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.599 9.460 -0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.689 10.037 -3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.538 10.973 -1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.227 11.866 -4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.598 10.752 -4.809 1.00 0.00 H new ATOM 646 N LYS A 44 -10.179 7.466 -1.315 1.00 0.00 N ATOM 647 CA LYS A 44 -11.199 6.742 -0.548 1.00 0.00 C ATOM 648 C LYS A 44 -10.599 5.688 0.392 1.00 0.00 C ATOM 649 O LYS A 44 -11.165 5.425 1.453 1.00 0.00 O ATOM 650 CB LYS A 44 -12.165 6.056 -1.519 1.00 0.00 C ATOM 651 CG LYS A 44 -13.005 7.047 -2.331 1.00 0.00 C ATOM 652 CD LYS A 44 -14.056 6.313 -3.168 1.00 0.00 C ATOM 653 CE LYS A 44 -14.878 7.294 -4.004 1.00 0.00 C ATOM 654 NZ LYS A 44 -15.875 6.567 -4.806 1.00 0.00 N ATOM 0 H LYS A 44 -10.063 7.151 -2.278 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.718 7.473 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.597 5.425 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.830 5.400 -0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.496 7.751 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.356 7.630 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.565 5.594 -3.824 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.717 5.747 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.378 8.010 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.220 7.865 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.428 7.244 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.391 5.901 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.512 6.041 -4.174 1.00 0.00 H new ATOM 668 N LEU A 45 -9.471 5.073 0.033 1.00 0.00 N ATOM 669 CA LEU A 45 -8.862 4.075 0.937 1.00 0.00 C ATOM 670 C LEU A 45 -8.212 4.714 2.166 1.00 0.00 C ATOM 671 O LEU A 45 -8.349 4.235 3.291 1.00 0.00 O ATOM 672 CB LEU A 45 -7.767 3.309 0.188 1.00 0.00 C ATOM 673 CG LEU A 45 -7.425 1.947 0.815 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.600 0.966 0.720 1.00 0.00 C ATOM 675 CD2 LEU A 45 -6.205 1.352 0.110 1.00 0.00 C ATOM 0 H LEU A 45 -8.970 5.234 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.667 3.419 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.085 3.155 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.865 3.921 0.156 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.208 2.109 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.318 0.016 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.461 1.378 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.857 0.806 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.963 0.387 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.426 1.219 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.356 2.026 0.221 1.00 0.00 H new ATOM 687 N ASN A 46 -7.542 5.837 1.931 1.00 0.00 N ATOM 688 CA ASN A 46 -6.930 6.590 3.035 1.00 0.00 C ATOM 689 C ASN A 46 -7.955 7.435 3.832 1.00 0.00 C ATOM 690 O ASN A 46 -7.663 7.854 4.953 1.00 0.00 O ATOM 691 CB ASN A 46 -5.777 7.410 2.436 1.00 0.00 C ATOM 692 CG ASN A 46 -4.951 8.152 3.484 1.00 0.00 C ATOM 693 OD1 ASN A 46 -5.188 9.324 3.781 1.00 0.00 O ATOM 694 ND2 ASN A 46 -3.965 7.483 4.055 1.00 0.00 N ATOM 0 H ASN A 46 -7.407 6.245 1.006 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.536 5.908 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.122 6.745 1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.184 8.132 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.381 7.936 4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.788 6.513 3.793 1.00 0.00 H new ATOM 701 N ASP A 47 -9.161 7.659 3.300 1.00 0.00 N ATOM 702 CA ASP A 47 -10.230 8.298 4.082 1.00 0.00 C ATOM 703 C ASP A 47 -11.060 7.270 4.871 1.00 0.00 C ATOM 704 O ASP A 47 -11.358 7.521 6.040 1.00 0.00 O ATOM 705 CB ASP A 47 -11.125 9.157 3.170 1.00 0.00 C ATOM 706 CG ASP A 47 -10.513 10.521 2.855 1.00 0.00 C ATOM 707 OD1 ASP A 47 -9.310 10.591 2.519 1.00 0.00 O ATOM 708 OD2 ASP A 47 -11.238 11.535 2.943 1.00 0.00 O ATOM 0 H ASP A 47 -9.422 7.412 2.345 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.758 8.951 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.307 8.621 2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.093 9.300 3.649 1.00 0.00 H new ATOM 713 N GLY A 48 -11.438 6.130 4.283 1.00 0.00 N ATOM 714 CA GLY A 48 -12.144 5.098 5.062 1.00 0.00 C ATOM 715 C GLY A 48 -13.466 4.577 4.472 1.00 0.00 C ATOM 716 O GLY A 48 -14.245 3.960 5.198 1.00 0.00 O ATOM 0 H GLY A 48 -11.276 5.899 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.472 4.250 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.348 5.500 6.054 1.00 0.00 H new ATOM 720 N SER A 49 -13.760 4.822 3.194 1.00 0.00 N ATOM 721 CA SER A 49 -15.051 4.379 2.623 1.00 0.00 C ATOM 722 C SER A 49 -15.133 2.868 2.317 1.00 0.00 C ATOM 723 O SER A 49 -16.221 2.289 2.288 1.00 0.00 O ATOM 724 CB SER A 49 -15.316 5.170 1.337 1.00 0.00 C ATOM 725 OG SER A 49 -15.368 6.563 1.613 1.00 0.00 O ATOM 0 H SER A 49 -13.146 5.311 2.542 1.00 0.00 H new ATOM 0 HA SER A 49 -15.807 4.570 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.531 4.966 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.256 4.846 0.891 1.00 0.00 H new ATOM 0 HG SER A 49 -15.536 7.055 0.782 1.00 0.00 H new ATOM 731 N ILE A 50 -13.987 2.238 2.083 1.00 0.00 N ATOM 732 CA ILE A 50 -13.933 0.869 1.552 1.00 0.00 C ATOM 733 C ILE A 50 -13.329 -0.043 2.597 1.00 0.00 C ATOM 734 O ILE A 50 -12.207 0.184 3.056 1.00 0.00 O ATOM 735 CB ILE A 50 -13.072 0.725 0.291 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.440 1.832 -0.704 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.169 -0.715 -0.242 1.00 0.00 C ATOM 738 CD1 ILE A 50 -12.729 1.674 -2.038 1.00 0.00 C ATOM 0 H ILE A 50 -13.071 2.654 2.253 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.960 0.608 1.296 1.00 0.00 H new ATOM 0 HB ILE A 50 -12.013 0.872 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.518 1.826 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.188 2.801 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.556 -0.813 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.813 -1.409 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.207 -0.944 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.025 2.483 -2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.651 1.708 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.001 0.718 -2.484 1.00 0.00 H new ATOM 750 N THR A 51 -14.074 -1.065 2.992 1.00 0.00 N ATOM 751 CA THR A 51 -13.520 -1.968 3.998 1.00 0.00 C ATOM 752 C THR A 51 -12.950 -3.213 3.305 1.00 0.00 C ATOM 753 O THR A 51 -13.211 -3.545 2.148 1.00 0.00 O ATOM 754 CB THR A 51 -14.604 -2.331 5.033 1.00 0.00 C ATOM 755 OG1 THR A 51 -13.991 -2.954 6.154 1.00 0.00 O ATOM 756 CG2 THR A 51 -15.671 -3.282 4.477 1.00 0.00 C ATOM 0 H THR A 51 -15.012 -1.286 2.657 1.00 0.00 H new ATOM 0 HA THR A 51 -12.707 -1.478 4.534 1.00 0.00 H new ATOM 0 HB THR A 51 -15.100 -1.401 5.310 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.676 -3.185 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 51 -16.405 -3.499 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.169 -2.814 3.628 1.00 0.00 H new ATOM 0 HG23 THR A 51 -15.199 -4.210 4.154 1.00 0.00 H new ATOM 764 N LEU A 52 -12.075 -3.827 4.077 1.00 0.00 N ATOM 765 CA LEU A 52 -11.001 -4.639 3.502 1.00 0.00 C ATOM 766 C LEU A 52 -10.926 -6.002 4.176 1.00 0.00 C ATOM 767 O LEU A 52 -10.691 -6.122 5.378 1.00 0.00 O ATOM 768 CB LEU A 52 -9.685 -3.877 3.692 1.00 0.00 C ATOM 769 CG LEU A 52 -8.457 -4.571 3.090 1.00 0.00 C ATOM 770 CD1 LEU A 52 -8.574 -4.586 1.567 1.00 0.00 C ATOM 771 CD2 LEU A 52 -7.182 -3.827 3.497 1.00 0.00 C ATOM 0 H LEU A 52 -12.079 -3.785 5.096 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.193 -4.812 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.784 -2.888 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.516 -3.728 4.759 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.408 -5.594 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.701 -5.079 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.475 -5.127 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.630 -3.563 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.315 -4.327 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.228 -2.801 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.094 -3.823 4.583 1.00 0.00 H new ATOM 783 N GLU A 53 -11.089 -7.028 3.358 1.00 0.00 N ATOM 784 CA GLU A 53 -10.799 -8.389 3.826 1.00 0.00 C ATOM 785 C GLU A 53 -9.404 -8.820 3.357 1.00 0.00 C ATOM 786 O GLU A 53 -8.742 -8.157 2.556 1.00 0.00 O ATOM 787 CB GLU A 53 -11.904 -9.352 3.352 1.00 0.00 C ATOM 788 CG GLU A 53 -12.007 -9.482 1.827 1.00 0.00 C ATOM 789 CD GLU A 53 -13.096 -10.467 1.426 1.00 0.00 C ATOM 790 OE1 GLU A 53 -14.264 -10.046 1.277 1.00 0.00 O ATOM 791 OE2 GLU A 53 -12.790 -11.668 1.257 1.00 0.00 O ATOM 0 H GLU A 53 -11.411 -6.959 2.393 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.793 -8.413 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.720 -10.338 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.862 -9.009 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.219 -8.506 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.050 -9.811 1.423 1.00 0.00 H new ATOM 798 N ASN A 54 -8.953 -9.943 3.900 1.00 0.00 N ATOM 799 CA ASN A 54 -7.556 -10.363 3.716 1.00 0.00 C ATOM 800 C ASN A 54 -7.555 -11.606 2.829 1.00 0.00 C ATOM 801 O ASN A 54 -7.689 -12.724 3.333 1.00 0.00 O ATOM 802 CB ASN A 54 -6.947 -10.695 5.084 1.00 0.00 C ATOM 803 CG ASN A 54 -6.493 -9.460 5.866 1.00 0.00 C ATOM 804 OD1 ASN A 54 -5.936 -8.510 5.319 1.00 0.00 O ATOM 805 ND2 ASN A 54 -6.720 -9.464 7.166 1.00 0.00 N ATOM 0 H ASN A 54 -9.519 -10.577 4.465 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.968 -9.571 3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.681 -11.241 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.094 -11.359 4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.432 -8.669 7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.184 -10.262 7.600 1.00 0.00 H new ATOM 812 N ALA A 55 -7.505 -11.428 1.507 1.00 0.00 N ATOM 813 CA ALA A 55 -7.838 -12.555 0.637 1.00 0.00 C ATOM 814 C ALA A 55 -6.918 -12.777 -0.572 1.00 0.00 C ATOM 815 O ALA A 55 -5.735 -12.437 -0.577 1.00 0.00 O ATOM 816 CB ALA A 55 -9.279 -12.270 0.228 1.00 0.00 C ATOM 0 H ALA A 55 -7.251 -10.561 1.035 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.701 -13.496 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.633 -13.061 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.909 -12.231 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.327 -11.314 -0.293 1.00 0.00 H new ATOM 822 N LYS A 56 -7.477 -13.486 -1.548 1.00 0.00 N ATOM 823 CA LYS A 56 -6.665 -14.114 -2.613 1.00 0.00 C ATOM 824 C LYS A 56 -6.445 -13.242 -3.867 1.00 0.00 C ATOM 825 O LYS A 56 -6.383 -13.735 -4.995 1.00 0.00 O ATOM 826 CB LYS A 56 -7.205 -15.528 -2.914 1.00 0.00 C ATOM 827 CG LYS A 56 -8.334 -15.666 -3.950 1.00 0.00 C ATOM 828 CD LYS A 56 -8.847 -17.106 -4.012 1.00 0.00 C ATOM 829 CE LYS A 56 -9.923 -17.262 -5.089 1.00 0.00 C ATOM 830 NZ LYS A 56 -10.407 -18.650 -5.129 1.00 0.00 N ATOM 0 H LYS A 56 -8.481 -13.646 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.650 -14.212 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.368 -16.140 -3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.558 -15.957 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.153 -14.995 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.971 -15.363 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.018 -17.782 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.254 -17.392 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.753 -16.586 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.517 -16.983 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.137 -18.742 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.615 -19.288 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.812 -18.903 -4.205 1.00 0.00 H new ATOM 844 N TYR A 57 -6.318 -11.936 -3.670 1.00 0.00 N ATOM 845 CA TYR A 57 -6.304 -10.967 -4.782 1.00 0.00 C ATOM 846 C TYR A 57 -4.896 -10.889 -5.409 1.00 0.00 C ATOM 847 O TYR A 57 -4.523 -9.803 -5.850 1.00 0.00 O ATOM 848 CB TYR A 57 -6.750 -9.535 -4.439 1.00 0.00 C ATOM 849 CG TYR A 57 -7.937 -9.401 -3.494 1.00 0.00 C ATOM 850 CD1 TYR A 57 -9.186 -9.732 -3.925 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.774 -8.881 -2.244 1.00 0.00 C ATOM 852 CE1 TYR A 57 -10.258 -9.564 -3.109 1.00 0.00 C ATOM 853 CE2 TYR A 57 -8.849 -8.706 -1.433 1.00 0.00 C ATOM 854 CZ TYR A 57 -10.091 -9.046 -1.866 1.00 0.00 C ATOM 855 OH TYR A 57 -11.177 -8.851 -1.057 1.00 0.00 O ATOM 0 H TYR A 57 -6.222 -11.512 -2.747 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.048 -11.361 -5.475 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.902 -9.010 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.995 -9.022 -5.369 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.324 -10.130 -4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.788 -8.608 -1.898 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.244 -9.843 -3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.716 -8.296 -0.443 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.865 -9.517 -1.267 1.00 0.00 H new ATOM 865 N GLU A 58 -4.048 -11.921 -5.240 1.00 0.00 N ATOM 866 CA GLU A 58 -2.579 -11.843 -5.475 1.00 0.00 C ATOM 867 C GLU A 58 -2.149 -11.498 -6.928 1.00 0.00 C ATOM 868 O GLU A 58 -1.101 -11.919 -7.421 1.00 0.00 O ATOM 869 CB GLU A 58 -1.960 -13.204 -5.086 1.00 0.00 C ATOM 870 CG GLU A 58 -2.635 -14.419 -5.747 1.00 0.00 C ATOM 871 CD GLU A 58 -1.979 -15.742 -5.367 1.00 0.00 C ATOM 872 OE1 GLU A 58 -0.735 -15.798 -5.251 1.00 0.00 O ATOM 873 OE2 GLU A 58 -2.711 -16.738 -5.185 1.00 0.00 O ATOM 0 H GLU A 58 -4.358 -12.843 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.220 -11.015 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.904 -13.199 -5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.013 -13.318 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.686 -14.445 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.603 -14.301 -6.830 1.00 0.00 H new ATOM 880 N THR A 59 -2.918 -10.622 -7.553 1.00 0.00 N ATOM 881 CA THR A 59 -2.498 -9.916 -8.774 1.00 0.00 C ATOM 882 C THR A 59 -3.046 -8.497 -8.603 1.00 0.00 C ATOM 883 O THR A 59 -4.242 -8.259 -8.449 1.00 0.00 O ATOM 884 CB THR A 59 -2.900 -10.612 -10.089 1.00 0.00 C ATOM 885 OG1 THR A 59 -1.835 -11.453 -10.512 1.00 0.00 O ATOM 886 CG2 THR A 59 -3.256 -9.649 -11.213 1.00 0.00 C ATOM 0 H THR A 59 -3.855 -10.373 -7.235 1.00 0.00 H new ATOM 0 HA THR A 59 -1.413 -9.911 -8.880 1.00 0.00 H new ATOM 0 HB THR A 59 -3.803 -11.185 -9.877 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.387 -11.833 -9.728 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.528 -10.215 -12.104 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.098 -9.028 -10.907 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.398 -9.014 -11.434 1.00 0.00 H new ATOM 894 N VAL A 60 -2.106 -7.574 -8.511 1.00 0.00 N ATOM 895 CA VAL A 60 -2.394 -6.226 -8.012 1.00 0.00 C ATOM 896 C VAL A 60 -2.068 -5.248 -9.160 1.00 0.00 C ATOM 897 O VAL A 60 -1.024 -5.364 -9.803 1.00 0.00 O ATOM 898 CB VAL A 60 -1.466 -6.067 -6.796 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.277 -4.619 -6.371 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.961 -6.864 -5.592 1.00 0.00 C ATOM 0 H VAL A 60 -1.132 -7.726 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.425 -6.040 -7.712 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.504 -6.458 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.612 -4.577 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.841 -4.052 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.243 -4.189 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.276 -6.723 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.955 -6.517 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.006 -7.922 -5.850 1.00 0.00 H new ATOM 910 N HIS A 61 -2.950 -4.283 -9.423 1.00 0.00 N ATOM 911 CA HIS A 61 -2.691 -3.278 -10.467 1.00 0.00 C ATOM 912 C HIS A 61 -2.755 -1.868 -9.842 1.00 0.00 C ATOM 913 O HIS A 61 -3.701 -1.579 -9.114 1.00 0.00 O ATOM 914 CB HIS A 61 -3.687 -3.545 -11.632 1.00 0.00 C ATOM 915 CG HIS A 61 -2.971 -4.345 -12.707 1.00 0.00 C ATOM 916 ND1 HIS A 61 -2.982 -5.735 -12.771 1.00 0.00 N ATOM 917 CD2 HIS A 61 -1.940 -3.825 -13.490 1.00 0.00 C ATOM 918 CE1 HIS A 61 -1.934 -5.913 -13.641 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.287 -4.831 -14.166 1.00 0.00 N ATOM 0 H HIS A 61 -3.840 -4.172 -8.937 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.690 -3.347 -10.893 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.556 -4.093 -11.269 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.052 -2.603 -12.041 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.586 -6.416 -12.311 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.689 -2.777 -13.557 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.621 -6.911 -13.910 1.00 0.00 H new ATOM 927 N TYR A 62 -1.806 -0.962 -10.138 1.00 0.00 N ATOM 928 CA TYR A 62 -1.959 0.444 -9.716 1.00 0.00 C ATOM 929 C TYR A 62 -1.911 1.319 -10.977 1.00 0.00 C ATOM 930 O TYR A 62 -0.874 1.479 -11.621 1.00 0.00 O ATOM 931 CB TYR A 62 -0.928 0.912 -8.671 1.00 0.00 C ATOM 932 CG TYR A 62 -1.443 1.922 -7.661 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.174 2.999 -8.060 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.080 1.804 -6.354 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.586 3.923 -7.156 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.473 2.741 -5.451 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.229 3.797 -5.853 1.00 0.00 C ATOM 938 OH TYR A 62 -2.608 4.753 -4.951 1.00 0.00 O ATOM 0 H TYR A 62 -0.949 -1.167 -10.652 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.917 0.538 -9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.559 0.039 -8.132 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.076 1.347 -9.194 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.428 3.119 -9.103 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.479 0.965 -6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.196 4.756 -7.472 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.185 2.647 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.677 5.620 -5.403 1.00 0.00 H new ATOM 948 N LEU A 63 -3.060 1.892 -11.304 1.00 0.00 N ATOM 949 CA LEU A 63 -3.144 2.911 -12.349 1.00 0.00 C ATOM 950 C LEU A 63 -3.145 4.327 -11.754 1.00 0.00 C ATOM 951 O LEU A 63 -4.184 4.824 -11.321 1.00 0.00 O ATOM 952 CB LEU A 63 -4.481 2.638 -13.061 1.00 0.00 C ATOM 953 CG LEU A 63 -4.494 1.366 -13.923 1.00 0.00 C ATOM 954 CD1 LEU A 63 -5.890 1.189 -14.522 1.00 0.00 C ATOM 955 CD2 LEU A 63 -3.462 1.422 -15.054 1.00 0.00 C ATOM 0 H LEU A 63 -3.952 1.670 -10.861 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.289 2.861 -13.023 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.269 2.562 -12.311 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.723 3.493 -13.693 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.234 0.523 -13.282 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.911 0.289 -15.136 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.622 1.098 -13.719 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.134 2.054 -15.138 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.509 0.501 -15.635 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.678 2.272 -15.702 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.464 1.533 -14.631 1.00 0.00 H new ATOM 967 N THR A 64 -1.997 5.007 -11.784 1.00 0.00 N ATOM 968 CA THR A 64 -1.990 6.451 -11.488 1.00 0.00 C ATOM 969 C THR A 64 -1.300 7.169 -12.664 1.00 0.00 C ATOM 970 O THR A 64 -0.080 7.342 -12.644 1.00 0.00 O ATOM 971 CB THR A 64 -1.273 6.735 -10.163 1.00 0.00 C ATOM 972 OG1 THR A 64 -1.910 6.017 -9.119 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.310 8.223 -9.810 1.00 0.00 C ATOM 0 H THR A 64 -1.086 4.603 -12.002 1.00 0.00 H new ATOM 0 HA THR A 64 -3.010 6.819 -11.376 1.00 0.00 H new ATOM 0 HB THR A 64 -0.234 6.425 -10.276 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.586 5.092 -9.113 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.792 8.386 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.818 8.796 -10.596 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.346 8.549 -9.717 1.00 0.00 H new ATOM 981 N PRO A 65 -2.031 7.638 -13.683 1.00 0.00 N ATOM 982 CA PRO A 65 -1.458 8.504 -14.719 1.00 0.00 C ATOM 983 C PRO A 65 -1.349 9.964 -14.253 1.00 0.00 C ATOM 984 O PRO A 65 -2.310 10.731 -14.337 1.00 0.00 O ATOM 985 CB PRO A 65 -2.502 8.337 -15.827 1.00 0.00 C ATOM 986 CG PRO A 65 -3.822 8.196 -15.071 1.00 0.00 C ATOM 987 CD PRO A 65 -3.473 7.405 -13.814 1.00 0.00 C ATOM 0 HA PRO A 65 -0.439 8.249 -15.010 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.515 9.197 -16.496 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.297 7.459 -16.440 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.240 9.171 -14.821 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.567 7.675 -15.672 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.023 7.763 -12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.705 6.346 -13.924 1.00 0.00 H new ATOM 995 N GLU A 66 -0.168 10.365 -13.788 1.00 0.00 N ATOM 996 CA GLU A 66 0.080 11.795 -13.528 1.00 0.00 C ATOM 997 C GLU A 66 1.249 12.343 -14.365 1.00 0.00 C ATOM 998 O GLU A 66 1.234 13.513 -14.749 1.00 0.00 O ATOM 999 CB GLU A 66 0.302 12.003 -12.023 1.00 0.00 C ATOM 1000 CG GLU A 66 0.255 13.487 -11.641 1.00 0.00 C ATOM 1001 CD GLU A 66 0.346 13.692 -10.135 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -0.522 13.169 -9.402 1.00 0.00 O ATOM 1003 OE2 GLU A 66 1.279 14.385 -9.678 1.00 0.00 O ATOM 0 H GLU A 66 0.617 9.746 -13.586 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.796 12.364 -13.837 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.460 11.459 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.267 11.584 -11.736 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.076 14.013 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.671 13.927 -12.011 1.00 0.00 H new ATOM 1010 N ALA A 67 2.235 11.511 -14.696 1.00 0.00 N ATOM 1011 CA ALA A 67 3.261 11.916 -15.666 1.00 0.00 C ATOM 1012 C ALA A 67 3.734 10.652 -16.399 1.00 0.00 C ATOM 1013 O ALA A 67 2.981 10.084 -17.191 1.00 0.00 O ATOM 1014 CB ALA A 67 4.372 12.699 -14.952 1.00 0.00 C ATOM 0 H ALA A 67 2.348 10.570 -14.318 1.00 0.00 H new ATOM 0 HA ALA A 67 2.873 12.601 -16.420 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.130 12.997 -15.676 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.948 13.588 -14.484 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.828 12.069 -14.188 1.00 0.00 H new ATOM 1020 N GLN A 68 4.951 10.185 -16.125 1.00 0.00 N ATOM 1021 CA GLN A 68 5.386 8.869 -16.623 1.00 0.00 C ATOM 1022 C GLN A 68 5.547 7.904 -15.438 1.00 0.00 C ATOM 1023 O GLN A 68 4.817 6.919 -15.327 1.00 0.00 O ATOM 1024 CB GLN A 68 6.682 9.044 -17.430 1.00 0.00 C ATOM 1025 CG GLN A 68 7.140 7.737 -18.089 1.00 0.00 C ATOM 1026 CD GLN A 68 8.418 7.941 -18.898 1.00 0.00 C ATOM 1027 OE1 GLN A 68 8.389 8.386 -20.044 1.00 0.00 O ATOM 1028 NE2 GLN A 68 9.557 7.616 -18.313 1.00 0.00 N ATOM 0 H GLN A 68 5.647 10.684 -15.571 1.00 0.00 H new ATOM 0 HA GLN A 68 4.641 8.436 -17.290 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.529 9.801 -18.199 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.470 9.412 -16.772 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.309 6.981 -17.322 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.351 7.360 -18.740 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.555 7.249 -17.361 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.438 7.732 -18.813 1.00 0.00 H new ATOM 1037 N THR A 69 6.469 8.213 -14.529 1.00 0.00 N ATOM 1038 CA THR A 69 6.554 7.474 -13.258 1.00 0.00 C ATOM 1039 C THR A 69 5.571 8.038 -12.222 1.00 0.00 C ATOM 1040 O THR A 69 5.089 9.167 -12.334 1.00 0.00 O ATOM 1041 CB THR A 69 7.994 7.550 -12.715 1.00 0.00 C ATOM 1042 OG1 THR A 69 8.368 8.906 -12.509 1.00 0.00 O ATOM 1043 CG2 THR A 69 9.008 6.894 -13.657 1.00 0.00 C ATOM 0 H THR A 69 7.160 8.956 -14.639 1.00 0.00 H new ATOM 0 HA THR A 69 6.286 6.434 -13.444 1.00 0.00 H new ATOM 0 HB THR A 69 8.005 7.004 -11.772 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.284 8.944 -12.162 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.007 6.974 -13.229 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.754 5.842 -13.790 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.986 7.398 -14.623 1.00 0.00 H new ATOM 1051 N ASP A 70 5.245 7.222 -11.220 1.00 0.00 N ATOM 1052 CA ASP A 70 4.149 7.585 -10.292 1.00 0.00 C ATOM 1053 C ASP A 70 4.626 8.669 -9.307 1.00 0.00 C ATOM 1054 O ASP A 70 5.793 9.066 -9.313 1.00 0.00 O ATOM 1055 CB ASP A 70 3.598 6.360 -9.532 1.00 0.00 C ATOM 1056 CG ASP A 70 3.159 5.227 -10.457 1.00 0.00 C ATOM 1057 OD1 ASP A 70 2.010 5.259 -10.947 1.00 0.00 O ATOM 1058 OD2 ASP A 70 3.964 4.302 -10.700 1.00 0.00 O ATOM 0 H ASP A 70 5.701 6.331 -11.024 1.00 0.00 H new ATOM 0 HA ASP A 70 3.329 7.982 -10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.363 5.988 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.751 6.671 -8.921 1.00 0.00 H new ATOM 1063 N ILE A 71 3.739 9.120 -8.419 1.00 0.00 N ATOM 1064 CA ILE A 71 4.173 9.996 -7.315 1.00 0.00 C ATOM 1065 C ILE A 71 4.222 9.251 -5.969 1.00 0.00 C ATOM 1066 O ILE A 71 4.234 8.021 -5.911 1.00 0.00 O ATOM 1067 CB ILE A 71 3.321 11.278 -7.250 1.00 0.00 C ATOM 1068 CG1 ILE A 71 1.830 10.992 -6.994 1.00 0.00 C ATOM 1069 CG2 ILE A 71 3.518 12.131 -8.509 1.00 0.00 C ATOM 1070 CD1 ILE A 71 1.064 12.243 -6.553 1.00 0.00 C ATOM 0 H ILE A 71 2.742 8.905 -8.434 1.00 0.00 H new ATOM 0 HA ILE A 71 5.197 10.305 -7.526 1.00 0.00 H new ATOM 0 HB ILE A 71 3.675 11.847 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.378 10.594 -7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.737 10.223 -6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.906 13.030 -8.439 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.567 12.412 -8.597 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.221 11.558 -9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.017 11.989 -6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.496 12.628 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.132 13.004 -7.330 1.00 0.00 H new ATOM 1082 N LYS A 72 4.372 10.019 -4.889 1.00 0.00 N ATOM 1083 CA LYS A 72 4.780 9.441 -3.600 1.00 0.00 C ATOM 1084 C LYS A 72 3.618 8.779 -2.865 1.00 0.00 C ATOM 1085 O LYS A 72 2.453 9.175 -2.952 1.00 0.00 O ATOM 1086 CB LYS A 72 5.401 10.532 -2.715 1.00 0.00 C ATOM 1087 CG LYS A 72 6.748 11.026 -3.256 1.00 0.00 C ATOM 1088 CD LYS A 72 7.360 12.088 -2.339 1.00 0.00 C ATOM 1089 CE LYS A 72 8.708 12.567 -2.881 1.00 0.00 C ATOM 1090 NZ LYS A 72 9.284 13.585 -1.989 1.00 0.00 N ATOM 0 H LYS A 72 4.221 11.028 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 72 5.516 8.665 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.711 11.373 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.538 10.143 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.435 10.185 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.611 11.440 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.678 12.934 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.491 11.678 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.392 11.723 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.579 12.981 -3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.199 13.902 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.637 14.396 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.424 13.178 -1.042 1.00 0.00 H new ATOM 1104 N PHE A 73 3.975 7.682 -2.210 1.00 0.00 N ATOM 1105 CA PHE A 73 2.972 6.785 -1.615 1.00 0.00 C ATOM 1106 C PHE A 73 3.396 6.526 -0.170 1.00 0.00 C ATOM 1107 O PHE A 73 4.597 6.434 0.099 1.00 0.00 O ATOM 1108 CB PHE A 73 2.954 5.531 -2.520 1.00 0.00 C ATOM 1109 CG PHE A 73 2.039 4.365 -2.182 1.00 0.00 C ATOM 1110 CD1 PHE A 73 0.750 4.558 -1.797 1.00 0.00 C ATOM 1111 CD2 PHE A 73 2.490 3.097 -2.393 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.071 3.496 -1.594 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.655 2.039 -2.232 1.00 0.00 C ATOM 1114 CZ PHE A 73 0.393 2.236 -1.783 1.00 0.00 C ATOM 0 H PHE A 73 4.942 7.387 -2.074 1.00 0.00 H new ATOM 0 HA PHE A 73 1.958 7.182 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.700 5.861 -3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.972 5.144 -2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.377 5.561 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.515 2.933 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.093 3.655 -1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.997 1.041 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.244 1.389 -1.575 1.00 0.00 H new ATOM 1124 N PRO A 74 2.479 6.300 0.780 1.00 0.00 N ATOM 1125 CA PRO A 74 2.910 6.093 2.160 1.00 0.00 C ATOM 1126 C PRO A 74 3.349 4.644 2.365 1.00 0.00 C ATOM 1127 O PRO A 74 2.832 3.720 1.733 1.00 0.00 O ATOM 1128 CB PRO A 74 1.654 6.443 2.957 1.00 0.00 C ATOM 1129 CG PRO A 74 0.766 7.259 2.029 1.00 0.00 C ATOM 1130 CD PRO A 74 1.068 6.688 0.654 1.00 0.00 C ATOM 0 HA PRO A 74 3.770 6.692 2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.142 5.540 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.908 7.013 3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.288 7.152 2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.000 8.322 2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.431 5.835 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.918 7.425 -0.135 1.00 0.00 H new ATOM 1138 N LYS A 75 4.297 4.443 3.272 1.00 0.00 N ATOM 1139 CA LYS A 75 4.700 3.068 3.619 1.00 0.00 C ATOM 1140 C LYS A 75 3.558 2.239 4.241 1.00 0.00 C ATOM 1141 O LYS A 75 3.435 1.038 3.988 1.00 0.00 O ATOM 1142 CB LYS A 75 5.914 3.078 4.556 1.00 0.00 C ATOM 1143 CG LYS A 75 7.169 3.655 3.888 1.00 0.00 C ATOM 1144 CD LYS A 75 8.375 3.605 4.827 1.00 0.00 C ATOM 1145 CE LYS A 75 9.626 4.162 4.147 1.00 0.00 C ATOM 1146 NZ LYS A 75 10.776 4.104 5.064 1.00 0.00 N ATOM 0 H LYS A 75 4.793 5.181 3.771 1.00 0.00 H new ATOM 0 HA LYS A 75 4.968 2.584 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.678 3.663 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.119 2.061 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.390 3.094 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.982 4.686 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.162 4.179 5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.554 2.576 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.843 3.590 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.451 5.192 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.619 4.486 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.572 4.669 5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.951 3.116 5.339 1.00 0.00 H new ATOM 1160 N LYS A 76 2.734 2.877 5.074 1.00 0.00 N ATOM 1161 CA LYS A 76 1.612 2.181 5.732 1.00 0.00 C ATOM 1162 C LYS A 76 0.628 1.534 4.747 1.00 0.00 C ATOM 1163 O LYS A 76 0.115 0.446 5.016 1.00 0.00 O ATOM 1164 CB LYS A 76 0.848 3.161 6.635 1.00 0.00 C ATOM 1165 CG LYS A 76 1.697 3.680 7.802 1.00 0.00 C ATOM 1166 CD LYS A 76 0.886 4.622 8.696 1.00 0.00 C ATOM 1167 CE LYS A 76 1.732 5.141 9.861 1.00 0.00 C ATOM 1168 NZ LYS A 76 0.937 6.043 10.708 1.00 0.00 N ATOM 0 H LYS A 76 2.816 3.866 5.312 1.00 0.00 H new ATOM 0 HA LYS A 76 2.054 1.375 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.505 4.006 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.040 2.667 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.063 2.840 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.571 4.203 7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.520 5.462 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.012 4.098 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.099 4.303 10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.606 5.667 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.524 6.388 11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.608 6.851 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.116 5.529 11.088 1.00 0.00 H new ATOM 1182 N LEU A 77 0.386 2.153 3.590 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.538 1.532 2.620 1.00 0.00 C ATOM 1184 C LEU A 77 0.129 0.367 1.873 1.00 0.00 C ATOM 1185 O LEU A 77 -0.551 -0.610 1.571 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.109 2.522 1.582 1.00 0.00 C ATOM 1187 CG LEU A 77 -1.852 3.727 2.170 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.487 4.593 1.075 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -2.946 3.300 3.151 1.00 0.00 C ATOM 0 H LEU A 77 0.792 3.044 3.303 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.369 1.167 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.290 2.887 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.789 1.982 0.924 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.101 4.311 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.004 5.437 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.709 4.963 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.200 3.996 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.447 4.184 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.671 2.671 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.499 2.741 3.973 1.00 0.00 H new ATOM 1201 N ILE A 78 1.444 0.385 1.652 1.00 0.00 N ATOM 1202 CA ILE A 78 2.149 -0.790 1.133 1.00 0.00 C ATOM 1203 C ILE A 78 2.087 -1.973 2.130 1.00 0.00 C ATOM 1204 O ILE A 78 1.958 -3.120 1.699 1.00 0.00 O ATOM 1205 CB ILE A 78 3.582 -0.305 0.828 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.690 0.811 -0.216 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.464 -1.477 0.427 1.00 0.00 C ATOM 1208 CD1 ILE A 78 5.077 1.461 -0.268 1.00 0.00 C ATOM 0 H ILE A 78 2.040 1.195 1.823 1.00 0.00 H new ATOM 0 HA ILE A 78 1.689 -1.188 0.229 1.00 0.00 H new ATOM 0 HB ILE A 78 3.929 0.140 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.450 0.404 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.946 1.577 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.471 -1.119 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.500 -2.201 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.054 -1.953 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.084 2.242 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.311 1.897 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.823 0.706 -0.516 1.00 0.00 H new ATOM 1220 N SER A 79 2.141 -1.731 3.446 1.00 0.00 N ATOM 1221 CA SER A 79 1.966 -2.831 4.413 1.00 0.00 C ATOM 1222 C SER A 79 0.532 -3.391 4.427 1.00 0.00 C ATOM 1223 O SER A 79 0.338 -4.601 4.525 1.00 0.00 O ATOM 1224 CB SER A 79 2.354 -2.337 5.812 1.00 0.00 C ATOM 1225 OG SER A 79 3.711 -1.918 5.828 1.00 0.00 O ATOM 0 H SER A 79 2.299 -0.813 3.861 1.00 0.00 H new ATOM 0 HA SER A 79 2.617 -3.649 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.707 -1.510 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.204 -3.133 6.541 1.00 0.00 H new ATOM 0 HG SER A 79 3.946 -1.603 6.726 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.473 -2.521 4.312 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.875 -2.977 4.212 1.00 0.00 C ATOM 1233 C VAL A 80 -2.150 -3.700 2.877 1.00 0.00 C ATOM 1234 O VAL A 80 -2.905 -4.673 2.844 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.822 -1.774 4.422 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.295 -2.151 4.232 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.671 -1.187 5.833 1.00 0.00 C ATOM 0 H VAL A 80 -0.353 -1.508 4.285 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.062 -3.710 4.997 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.536 -1.040 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.919 -1.271 4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.447 -2.526 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.568 -2.924 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.350 -0.342 5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.911 -1.951 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.645 -0.850 5.979 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.542 -3.246 1.780 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.640 -3.940 0.496 1.00 0.00 C ATOM 1249 C LEU A 81 -1.071 -5.369 0.572 1.00 0.00 C ATOM 1250 O LEU A 81 -1.698 -6.315 0.094 1.00 0.00 O ATOM 1251 CB LEU A 81 -0.863 -3.087 -0.532 1.00 0.00 C ATOM 1252 CG LEU A 81 -1.694 -2.235 -1.501 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -2.858 -3.004 -2.133 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -2.177 -0.965 -0.805 1.00 0.00 C ATOM 0 H LEU A 81 -0.975 -2.398 1.756 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.685 -4.050 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.195 -2.422 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.235 -3.755 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.039 -1.959 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.406 -2.346 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.470 -3.855 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.528 -3.359 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.765 -0.369 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.793 -1.232 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.318 -0.386 -0.468 1.00 0.00 H new ATOM 1266 N ALA A 82 0.108 -5.531 1.169 1.00 0.00 N ATOM 1267 CA ALA A 82 0.688 -6.866 1.361 1.00 0.00 C ATOM 1268 C ALA A 82 -0.092 -7.775 2.326 1.00 0.00 C ATOM 1269 O ALA A 82 -0.041 -8.997 2.196 1.00 0.00 O ATOM 1270 CB ALA A 82 2.112 -6.637 1.877 1.00 0.00 C ATOM 0 H ALA A 82 0.679 -4.765 1.526 1.00 0.00 H new ATOM 0 HA ALA A 82 0.657 -7.399 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.599 -7.598 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.678 -6.064 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.074 -6.085 2.816 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.779 -7.208 3.321 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.348 -8.041 4.404 1.00 0.00 C ATOM 1278 C ASP A 83 -2.651 -8.792 4.063 1.00 0.00 C ATOM 1279 O ASP A 83 -3.084 -9.680 4.799 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.501 -7.167 5.657 1.00 0.00 C ATOM 1281 CG ASP A 83 -1.850 -7.961 6.911 1.00 0.00 C ATOM 1282 OD1 ASP A 83 -0.947 -8.609 7.484 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -3.029 -7.941 7.328 1.00 0.00 O ATOM 0 H ASP A 83 -0.956 -6.207 3.407 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.642 -8.854 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.572 -6.623 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.278 -6.423 5.479 1.00 0.00 H new ATOM 1288 N SER A 84 -3.249 -8.471 2.930 1.00 0.00 N ATOM 1289 CA SER A 84 -4.351 -9.275 2.389 1.00 0.00 C ATOM 1290 C SER A 84 -3.874 -10.579 1.740 1.00 0.00 C ATOM 1291 O SER A 84 -4.594 -11.575 1.741 1.00 0.00 O ATOM 1292 CB SER A 84 -5.050 -8.400 1.346 1.00 0.00 C ATOM 1293 OG SER A 84 -5.690 -7.297 1.973 1.00 0.00 O ATOM 0 H SER A 84 -2.997 -7.663 2.361 1.00 0.00 H new ATOM 0 HA SER A 84 -5.017 -9.571 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.323 -8.041 0.617 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.784 -8.992 0.799 1.00 0.00 H new ATOM 0 HG SER A 84 -6.628 -7.520 2.149 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.708 -10.563 1.106 1.00 0.00 N ATOM 1300 CA LEU A 85 -2.520 -11.434 -0.050 1.00 0.00 C ATOM 1301 C LEU A 85 -1.949 -12.822 0.273 1.00 0.00 C ATOM 1302 O LEU A 85 -1.662 -13.200 1.406 1.00 0.00 O ATOM 1303 CB LEU A 85 -1.611 -10.675 -1.044 1.00 0.00 C ATOM 1304 CG LEU A 85 -2.121 -9.287 -1.469 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -1.079 -8.609 -2.361 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -3.458 -9.376 -2.213 1.00 0.00 C ATOM 0 H LEU A 85 -1.908 -9.983 1.357 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.500 -11.651 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.625 -10.560 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.485 -11.287 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.281 -8.698 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.442 -7.626 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.145 -8.499 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.907 -9.219 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.784 -8.375 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.336 -9.985 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.206 -9.831 -1.564 1.00 0.00 H new ATOM 1318 N LYS A 86 -1.878 -13.577 -0.814 1.00 0.00 N ATOM 1319 CA LYS A 86 -1.569 -15.009 -0.819 1.00 0.00 C ATOM 1320 C LYS A 86 -0.117 -15.037 -1.329 1.00 0.00 C ATOM 1321 O LYS A 86 0.060 -14.615 -2.472 1.00 0.00 O ATOM 1322 CB LYS A 86 -2.545 -15.740 -1.752 1.00 0.00 C ATOM 1323 CG LYS A 86 -2.277 -17.247 -1.863 1.00 0.00 C ATOM 1324 CD LYS A 86 -2.517 -17.988 -0.540 1.00 0.00 C ATOM 1325 CE LYS A 86 -2.321 -19.501 -0.676 1.00 0.00 C ATOM 1326 NZ LYS A 86 -0.915 -19.839 -0.949 1.00 0.00 N ATOM 0 H LYS A 86 -2.038 -13.202 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.669 -15.507 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.562 -15.586 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.487 -15.295 -2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.920 -17.671 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.247 -17.407 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.835 -17.603 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.530 -17.785 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.644 -19.995 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.951 -19.880 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.797 -20.872 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.645 -19.473 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.308 -19.411 -0.221 1.00 0.00 H new ATOM 1340 N PRO A 87 0.918 -15.203 -0.483 1.00 0.00 N ATOM 1341 CA PRO A 87 2.286 -14.699 -0.744 1.00 0.00 C ATOM 1342 C PRO A 87 3.051 -14.982 -2.064 1.00 0.00 C ATOM 1343 O PRO A 87 4.213 -14.588 -2.174 1.00 0.00 O ATOM 1344 CB PRO A 87 3.064 -15.355 0.401 1.00 0.00 C ATOM 1345 CG PRO A 87 2.085 -15.385 1.568 1.00 0.00 C ATOM 1346 CD PRO A 87 0.717 -15.577 0.921 1.00 0.00 C ATOM 0 HA PRO A 87 2.198 -13.616 -0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.391 -16.360 0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.959 -14.784 0.650 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.315 -16.198 2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.125 -14.459 2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.376 -16.608 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.038 -14.949 1.395 1.00 0.00 H new ATOM 1354 N ASN A 88 2.376 -15.408 -3.126 1.00 0.00 N ATOM 1355 CA ASN A 88 2.902 -15.214 -4.494 1.00 0.00 C ATOM 1356 C ASN A 88 2.123 -14.019 -5.087 1.00 0.00 C ATOM 1357 O ASN A 88 1.395 -14.139 -6.073 1.00 0.00 O ATOM 1358 CB ASN A 88 2.760 -16.490 -5.351 1.00 0.00 C ATOM 1359 CG ASN A 88 3.428 -17.709 -4.716 1.00 0.00 C ATOM 1360 OD1 ASN A 88 2.768 -18.593 -4.171 1.00 0.00 O ATOM 1361 ND2 ASN A 88 4.746 -17.770 -4.773 1.00 0.00 N ATOM 0 H ASN A 88 1.475 -15.884 -3.080 1.00 0.00 H new ATOM 0 HA ASN A 88 3.972 -15.007 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.702 -16.701 -5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.198 -16.313 -6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.238 -18.562 -4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.272 -17.025 -5.230 1.00 0.00 H new ATOM 1368 N GLY A 89 2.264 -12.858 -4.444 1.00 0.00 N ATOM 1369 CA GLY A 89 1.509 -11.654 -4.820 1.00 0.00 C ATOM 1370 C GLY A 89 2.392 -10.755 -5.668 1.00 0.00 C ATOM 1371 O GLY A 89 3.576 -10.602 -5.382 1.00 0.00 O ATOM 0 H GLY A 89 2.897 -12.723 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.612 -11.931 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.180 -11.123 -3.927 1.00 0.00 H new ATOM 1375 N SER A 90 1.842 -10.188 -6.734 1.00 0.00 N ATOM 1376 CA SER A 90 2.687 -9.509 -7.723 1.00 0.00 C ATOM 1377 C SER A 90 2.034 -8.166 -8.056 1.00 0.00 C ATOM 1378 O SER A 90 0.978 -8.078 -8.687 1.00 0.00 O ATOM 1379 CB SER A 90 2.834 -10.382 -8.977 1.00 0.00 C ATOM 1380 OG SER A 90 1.565 -10.675 -9.549 1.00 0.00 O ATOM 0 H SER A 90 0.843 -10.180 -6.938 1.00 0.00 H new ATOM 0 HA SER A 90 3.688 -9.339 -7.325 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.457 -9.869 -9.710 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.343 -11.311 -8.720 1.00 0.00 H new ATOM 0 HG SER A 90 0.943 -9.943 -9.357 1.00 0.00 H new ATOM 1386 N LEU A 91 2.683 -7.115 -7.593 1.00 0.00 N ATOM 1387 CA LEU A 91 2.176 -5.755 -7.704 1.00 0.00 C ATOM 1388 C LEU A 91 2.746 -5.117 -8.977 1.00 0.00 C ATOM 1389 O LEU A 91 3.942 -5.228 -9.242 1.00 0.00 O ATOM 1390 CB LEU A 91 2.747 -5.116 -6.436 1.00 0.00 C ATOM 1391 CG LEU A 91 2.357 -3.657 -6.284 1.00 0.00 C ATOM 1392 CD1 LEU A 91 1.998 -3.345 -4.832 1.00 0.00 C ATOM 1393 CD2 LEU A 91 3.503 -2.744 -6.722 1.00 0.00 C ATOM 0 H LEU A 91 3.587 -7.179 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 91 1.093 -5.655 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.399 -5.673 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.834 -5.197 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 91 1.489 -3.477 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.721 -2.294 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.159 -3.969 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.857 -3.549 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.203 -1.703 -6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.380 -2.940 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.743 -2.938 -7.767 1.00 0.00 H new ATOM 1405 N ILE A 92 1.900 -4.483 -9.783 1.00 0.00 N ATOM 1406 CA ILE A 92 2.328 -4.035 -11.120 1.00 0.00 C ATOM 1407 C ILE A 92 2.266 -2.517 -11.138 1.00 0.00 C ATOM 1408 O ILE A 92 1.243 -1.903 -11.449 1.00 0.00 O ATOM 1409 CB ILE A 92 1.428 -4.613 -12.211 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.399 -6.143 -12.199 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.834 -4.107 -13.605 1.00 0.00 C ATOM 1412 CD1 ILE A 92 2.817 -6.688 -12.231 1.00 0.00 C ATOM 0 H ILE A 92 0.931 -4.267 -9.548 1.00 0.00 H new ATOM 0 HA ILE A 92 3.341 -4.384 -11.320 1.00 0.00 H new ATOM 0 HB ILE A 92 0.421 -4.260 -11.988 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.884 -6.499 -11.307 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.839 -6.511 -13.059 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.172 -4.539 -14.356 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.756 -3.020 -13.635 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.862 -4.403 -13.814 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.788 -7.778 -12.222 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.318 -6.345 -13.136 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.363 -6.332 -11.357 1.00 0.00 H new ATOM 1424 N GLY A 93 3.349 -1.942 -10.662 1.00 0.00 N ATOM 1425 CA GLY A 93 3.279 -0.535 -10.275 1.00 0.00 C ATOM 1426 C GLY A 93 4.455 0.400 -10.495 1.00 0.00 C ATOM 1427 O GLY A 93 4.474 1.182 -11.446 1.00 0.00 O ATOM 0 H GLY A 93 4.254 -2.395 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.426 -0.103 -10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.046 -0.509 -9.210 1.00 0.00 H new ATOM 1431 N LEU A 94 5.364 0.444 -9.525 1.00 0.00 N ATOM 1432 CA LEU A 94 5.935 1.749 -9.144 1.00 0.00 C ATOM 1433 C LEU A 94 7.449 1.753 -9.461 1.00 0.00 C ATOM 1434 O LEU A 94 8.029 0.755 -9.891 1.00 0.00 O ATOM 1435 CB LEU A 94 5.660 2.008 -7.645 1.00 0.00 C ATOM 1436 CG LEU A 94 4.240 1.804 -7.075 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.250 0.621 -6.101 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.827 3.009 -6.246 1.00 0.00 C ATOM 0 H LEU A 94 5.713 -0.361 -9.005 1.00 0.00 H new ATOM 0 HA LEU A 94 5.470 2.553 -9.714 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.333 1.366 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.949 3.038 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 94 3.563 1.646 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.249 0.474 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.565 -0.280 -6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.944 0.827 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.824 2.852 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.526 3.140 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.834 3.901 -6.872 1.00 0.00 H new ATOM 1450 N SER A 95 8.069 2.927 -9.370 1.00 0.00 N ATOM 1451 CA SER A 95 9.333 3.192 -10.090 1.00 0.00 C ATOM 1452 C SER A 95 10.558 3.186 -9.149 1.00 0.00 C ATOM 1453 O SER A 95 10.551 2.495 -8.131 1.00 0.00 O ATOM 1454 CB SER A 95 9.172 4.468 -10.942 1.00 0.00 C ATOM 1455 OG SER A 95 8.081 4.313 -11.837 1.00 0.00 O ATOM 0 H SER A 95 7.728 3.710 -8.812 1.00 0.00 H new ATOM 0 HA SER A 95 9.544 2.375 -10.780 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.005 5.329 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.088 4.662 -11.500 1.00 0.00 H new ATOM 0 HG SER A 95 7.345 4.897 -11.559 1.00 0.00 H new ATOM 1461 N ASP A 96 11.643 3.875 -9.518 1.00 0.00 N ATOM 1462 CA ASP A 96 12.949 3.637 -8.875 1.00 0.00 C ATOM 1463 C ASP A 96 13.082 4.027 -7.400 1.00 0.00 C ATOM 1464 O ASP A 96 13.657 3.264 -6.627 1.00 0.00 O ATOM 1465 CB ASP A 96 14.043 4.361 -9.668 1.00 0.00 C ATOM 1466 CG ASP A 96 14.220 3.810 -11.081 1.00 0.00 C ATOM 1467 OD1 ASP A 96 14.883 2.763 -11.240 1.00 0.00 O ATOM 1468 OD2 ASP A 96 13.698 4.423 -12.037 1.00 0.00 O ATOM 0 H ASP A 96 11.650 4.591 -10.245 1.00 0.00 H new ATOM 0 HA ASP A 96 13.053 2.552 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.800 5.422 -9.726 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.988 4.279 -9.131 1.00 0.00 H new ATOM 1473 N ILE A 97 12.575 5.176 -6.968 1.00 0.00 N ATOM 1474 CA ILE A 97 12.498 5.435 -5.517 1.00 0.00 C ATOM 1475 C ILE A 97 11.634 4.386 -4.771 1.00 0.00 C ATOM 1476 O ILE A 97 11.892 3.944 -3.641 1.00 0.00 O ATOM 1477 CB ILE A 97 11.995 6.879 -5.327 1.00 0.00 C ATOM 1478 CG1 ILE A 97 12.033 7.253 -3.851 1.00 0.00 C ATOM 1479 CG2 ILE A 97 10.576 7.149 -5.842 1.00 0.00 C ATOM 1480 CD1 ILE A 97 13.476 7.405 -3.377 1.00 0.00 C ATOM 0 H ILE A 97 12.221 5.923 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 97 13.486 5.334 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 97 12.671 7.487 -5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 97 11.491 8.185 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 97 11.529 6.487 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.316 8.192 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.532 6.944 -6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.870 6.504 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 97 13.486 7.672 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 97 14.006 6.463 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.968 8.188 -3.954 1.00 0.00 H new ATOM 1492 N TYR A 98 10.626 3.929 -5.493 1.00 0.00 N ATOM 1493 CA TYR A 98 9.705 2.933 -4.945 1.00 0.00 C ATOM 1494 C TYR A 98 10.357 1.519 -4.944 1.00 0.00 C ATOM 1495 O TYR A 98 9.900 0.628 -4.235 1.00 0.00 O ATOM 1496 CB TYR A 98 8.330 3.030 -5.631 1.00 0.00 C ATOM 1497 CG TYR A 98 7.807 4.468 -5.712 1.00 0.00 C ATOM 1498 CD1 TYR A 98 7.338 5.088 -4.591 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.900 5.174 -6.874 1.00 0.00 C ATOM 1500 CE1 TYR A 98 7.005 6.405 -4.625 1.00 0.00 C ATOM 1501 CE2 TYR A 98 7.545 6.485 -6.913 1.00 0.00 C ATOM 1502 CZ TYR A 98 7.139 7.109 -5.780 1.00 0.00 C ATOM 1503 OH TYR A 98 6.933 8.461 -5.798 1.00 0.00 O ATOM 0 H TYR A 98 10.421 4.223 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 98 9.506 3.144 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.401 2.617 -6.637 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.613 2.418 -5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.231 4.530 -3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.258 4.688 -7.770 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.634 6.892 -3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.586 7.029 -7.845 1.00 0.00 H new ATOM 0 HH TYR A 98 7.072 8.801 -6.706 1.00 0.00 H new ATOM 1513 N LYS A 99 11.484 1.336 -5.643 1.00 0.00 N ATOM 1514 CA LYS A 99 12.354 0.152 -5.476 1.00 0.00 C ATOM 1515 C LYS A 99 12.949 0.057 -4.062 1.00 0.00 C ATOM 1516 O LYS A 99 12.915 -1.010 -3.453 1.00 0.00 O ATOM 1517 CB LYS A 99 13.489 0.210 -6.510 1.00 0.00 C ATOM 1518 CG LYS A 99 14.449 -0.978 -6.384 1.00 0.00 C ATOM 1519 CD LYS A 99 15.559 -0.920 -7.435 1.00 0.00 C ATOM 1520 CE LYS A 99 16.536 -2.087 -7.275 1.00 0.00 C ATOM 1521 NZ LYS A 99 17.591 -2.011 -8.297 1.00 0.00 N ATOM 0 H LYS A 99 11.823 1.999 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 99 11.740 -0.735 -5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.063 0.226 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.045 1.139 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.891 -0.985 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.893 -1.909 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.120 -0.944 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.098 0.023 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.981 -2.064 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.002 -3.033 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.248 -2.808 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.162 -2.055 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.111 -1.116 -8.194 1.00 0.00 H new ATOM 1535 N VAL A 100 13.515 1.144 -3.533 1.00 0.00 N ATOM 1536 CA VAL A 100 14.001 1.132 -2.139 1.00 0.00 C ATOM 1537 C VAL A 100 12.843 0.851 -1.160 1.00 0.00 C ATOM 1538 O VAL A 100 12.998 0.110 -0.186 1.00 0.00 O ATOM 1539 CB VAL A 100 14.711 2.464 -1.810 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.262 2.471 -0.379 1.00 0.00 C ATOM 1541 CG2 VAL A 100 15.877 2.736 -2.769 1.00 0.00 C ATOM 0 H VAL A 100 13.649 2.026 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 100 14.727 0.327 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 100 13.956 3.243 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.755 3.423 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.443 2.334 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 100 15.981 1.660 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.351 3.681 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.607 1.930 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.502 2.790 -3.791 1.00 0.00 H new ATOM 1551 N ASP A 101 11.667 1.411 -1.447 1.00 0.00 N ATOM 1552 CA ASP A 101 10.457 1.039 -0.702 1.00 0.00 C ATOM 1553 C ASP A 101 10.117 -0.460 -0.831 1.00 0.00 C ATOM 1554 O ASP A 101 9.877 -1.122 0.175 1.00 0.00 O ATOM 1555 CB ASP A 101 9.319 1.897 -1.259 1.00 0.00 C ATOM 1556 CG ASP A 101 8.856 2.975 -0.287 1.00 0.00 C ATOM 1557 OD1 ASP A 101 7.986 2.685 0.563 1.00 0.00 O ATOM 1558 OD2 ASP A 101 9.354 4.119 -0.372 1.00 0.00 O ATOM 0 H ASP A 101 11.524 2.111 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 101 10.613 1.215 0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.646 2.368 -2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.475 1.254 -1.509 1.00 0.00 H new ATOM 1563 N ALA A 102 10.113 -1.001 -2.053 1.00 0.00 N ATOM 1564 CA ALA A 102 9.919 -2.445 -2.272 1.00 0.00 C ATOM 1565 C ALA A 102 10.926 -3.298 -1.486 1.00 0.00 C ATOM 1566 O ALA A 102 10.575 -4.323 -0.908 1.00 0.00 O ATOM 1567 CB ALA A 102 10.126 -2.681 -3.766 1.00 0.00 C ATOM 0 H ALA A 102 10.242 -0.463 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 102 8.926 -2.736 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.994 -3.740 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.399 -2.098 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.134 -2.374 -4.047 1.00 0.00 H new ATOM 1573 N LEU A 103 12.183 -2.861 -1.463 1.00 0.00 N ATOM 1574 CA LEU A 103 13.244 -3.604 -0.763 1.00 0.00 C ATOM 1575 C LEU A 103 12.982 -3.706 0.747 1.00 0.00 C ATOM 1576 O LEU A 103 13.099 -4.786 1.330 1.00 0.00 O ATOM 1577 CB LEU A 103 14.575 -2.895 -1.075 1.00 0.00 C ATOM 1578 CG LEU A 103 15.842 -3.705 -0.753 1.00 0.00 C ATOM 1579 CD1 LEU A 103 17.022 -3.128 -1.543 1.00 0.00 C ATOM 1580 CD2 LEU A 103 16.202 -3.678 0.737 1.00 0.00 C ATOM 0 H LEU A 103 12.497 -2.003 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 103 13.275 -4.636 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.589 -2.634 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.609 -1.960 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 103 15.639 -4.739 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.924 -3.698 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 103 16.810 -3.189 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 103 17.173 -2.086 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.104 -4.266 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.377 -2.649 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 103 15.381 -4.100 1.317 1.00 0.00 H new ATOM 1592 N ILE A 104 12.637 -2.591 1.388 1.00 0.00 N ATOM 1593 CA ILE A 104 12.474 -2.592 2.856 1.00 0.00 C ATOM 1594 C ILE A 104 11.138 -3.232 3.290 1.00 0.00 C ATOM 1595 O ILE A 104 11.085 -3.933 4.301 1.00 0.00 O ATOM 1596 CB ILE A 104 12.679 -1.158 3.387 1.00 0.00 C ATOM 1597 CG1 ILE A 104 14.119 -0.688 3.102 1.00 0.00 C ATOM 1598 CG2 ILE A 104 12.389 -1.064 4.893 1.00 0.00 C ATOM 1599 CD1 ILE A 104 14.337 0.799 3.399 1.00 0.00 C ATOM 0 H ILE A 104 12.467 -1.693 0.936 1.00 0.00 H new ATOM 0 HA ILE A 104 13.238 -3.225 3.308 1.00 0.00 H new ATOM 0 HB ILE A 104 11.974 -0.509 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 104 14.812 -1.277 3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.358 -0.882 2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 104 12.544 -0.039 5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 104 11.356 -1.356 5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 104 13.060 -1.730 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.370 1.067 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.667 1.396 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.129 0.994 4.451 1.00 0.00 H new ATOM 1611 N ASN A 105 10.069 -3.042 2.519 1.00 0.00 N ATOM 1612 CA ASN A 105 8.773 -3.643 2.820 1.00 0.00 C ATOM 1613 C ASN A 105 8.695 -5.160 2.588 1.00 0.00 C ATOM 1614 O ASN A 105 7.769 -5.795 3.095 1.00 0.00 O ATOM 1615 CB ASN A 105 7.817 -2.891 1.885 1.00 0.00 C ATOM 1616 CG ASN A 105 7.219 -1.643 2.535 1.00 0.00 C ATOM 1617 OD1 ASN A 105 6.280 -1.721 3.328 1.00 0.00 O ATOM 1618 ND2 ASN A 105 7.749 -0.477 2.214 1.00 0.00 N ATOM 0 H ASN A 105 10.077 -2.471 1.674 1.00 0.00 H new ATOM 0 HA ASN A 105 8.538 -3.549 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.351 -2.604 0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.011 -3.559 1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.381 0.381 2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.526 -0.434 1.555 1.00 0.00 H new ATOM 1625 N GLY A 106 9.624 -5.760 1.844 1.00 0.00 N ATOM 1626 CA GLY A 106 9.562 -7.214 1.630 1.00 0.00 C ATOM 1627 C GLY A 106 9.049 -7.591 0.238 1.00 0.00 C ATOM 1628 O GLY A 106 8.455 -8.655 0.053 1.00 0.00 O ATOM 0 H GLY A 106 10.405 -5.286 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.555 -7.640 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.913 -7.660 2.384 1.00 0.00 H new ATOM 1632 N PHE A 107 9.308 -6.731 -0.740 1.00 0.00 N ATOM 1633 CA PHE A 107 8.984 -7.051 -2.138 1.00 0.00 C ATOM 1634 C PHE A 107 10.288 -7.348 -2.893 1.00 0.00 C ATOM 1635 O PHE A 107 11.391 -6.960 -2.499 1.00 0.00 O ATOM 1636 CB PHE A 107 8.192 -5.931 -2.838 1.00 0.00 C ATOM 1637 CG PHE A 107 6.787 -5.678 -2.303 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.592 -4.894 -1.209 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.709 -6.200 -2.955 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.337 -4.683 -0.733 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.453 -5.980 -2.485 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.268 -5.228 -1.369 1.00 0.00 C ATOM 0 H PHE A 107 9.736 -5.816 -0.601 1.00 0.00 H new ATOM 0 HA PHE A 107 8.336 -7.928 -2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.762 -5.005 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.119 -6.172 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.438 -4.437 -0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.854 -6.790 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.189 -4.081 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.602 -6.403 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.271 -5.064 -0.988 1.00 0.00 H new ATOM 1652 N GLU A 108 10.125 -8.045 -4.009 1.00 0.00 N ATOM 1653 CA GLU A 108 11.268 -8.508 -4.808 1.00 0.00 C ATOM 1654 C GLU A 108 11.046 -8.078 -6.263 1.00 0.00 C ATOM 1655 O GLU A 108 10.168 -8.576 -6.967 1.00 0.00 O ATOM 1656 CB GLU A 108 11.396 -10.034 -4.682 1.00 0.00 C ATOM 1657 CG GLU A 108 12.667 -10.561 -5.358 1.00 0.00 C ATOM 1658 CD GLU A 108 12.781 -12.073 -5.222 1.00 0.00 C ATOM 1659 OE1 GLU A 108 13.163 -12.554 -4.135 1.00 0.00 O ATOM 1660 OE2 GLU A 108 12.492 -12.788 -6.206 1.00 0.00 O ATOM 0 H GLU A 108 9.215 -8.306 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 108 12.198 -8.067 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.404 -10.311 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.523 -10.509 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.660 -10.288 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.542 -10.087 -4.912 1.00 0.00 H new ATOM 1667 N ILE A 109 11.853 -7.117 -6.690 1.00 0.00 N ATOM 1668 CA ILE A 109 11.571 -6.355 -7.909 1.00 0.00 C ATOM 1669 C ILE A 109 12.077 -7.020 -9.193 1.00 0.00 C ATOM 1670 O ILE A 109 13.266 -7.261 -9.397 1.00 0.00 O ATOM 1671 CB ILE A 109 12.050 -4.929 -7.650 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.580 -3.871 -8.644 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.560 -4.852 -7.608 1.00 0.00 C ATOM 1674 CD1 ILE A 109 11.846 -2.477 -8.089 1.00 0.00 C ATOM 0 H ILE A 109 12.711 -6.842 -6.212 1.00 0.00 H new ATOM 0 HA ILE A 109 10.502 -6.329 -8.118 1.00 0.00 H new ATOM 0 HB ILE A 109 11.593 -4.699 -6.688 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.099 -3.998 -9.594 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.515 -3.995 -8.843 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.867 -3.823 -7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.935 -5.492 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.968 -5.185 -8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.507 -1.729 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 109 11.307 -2.350 -7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.915 -2.353 -7.913 1.00 0.00 H new ATOM 1686 N ILE A 110 11.096 -7.451 -9.971 1.00 0.00 N ATOM 1687 CA ILE A 110 11.344 -8.352 -11.106 1.00 0.00 C ATOM 1688 C ILE A 110 10.894 -7.668 -12.401 1.00 0.00 C ATOM 1689 O ILE A 110 9.837 -7.029 -12.484 1.00 0.00 O ATOM 1690 CB ILE A 110 10.653 -9.700 -10.818 1.00 0.00 C ATOM 1691 CG1 ILE A 110 10.959 -10.775 -11.871 1.00 0.00 C ATOM 1692 CG2 ILE A 110 9.132 -9.554 -10.637 1.00 0.00 C ATOM 1693 CD1 ILE A 110 10.599 -12.185 -11.400 1.00 0.00 C ATOM 0 H ILE A 110 10.117 -7.196 -9.844 1.00 0.00 H new ATOM 0 HA ILE A 110 12.404 -8.567 -11.238 1.00 0.00 H new ATOM 0 HB ILE A 110 11.080 -10.037 -9.873 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.408 -10.550 -12.784 1.00 0.00 H new ATOM 0 HG13 ILE A 110 12.019 -10.740 -12.122 1.00 0.00 H new ATOM 0 HG21 ILE A 110 8.694 -10.532 -10.437 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.928 -8.886 -9.800 1.00 0.00 H new ATOM 0 HG23 ILE A 110 8.695 -9.140 -11.546 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.837 -12.903 -12.185 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.170 -12.426 -10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.533 -12.233 -11.176 1.00 0.00 H new ATOM 1705 N ASN A 111 11.767 -7.788 -13.398 1.00 0.00 N ATOM 1706 CA ASN A 111 11.621 -6.982 -14.619 1.00 0.00 C ATOM 1707 C ASN A 111 11.441 -7.813 -15.894 1.00 0.00 C ATOM 1708 O ASN A 111 12.382 -8.230 -16.569 1.00 0.00 O ATOM 1709 CB ASN A 111 12.754 -5.963 -14.750 1.00 0.00 C ATOM 1710 CG ASN A 111 14.173 -6.536 -14.691 1.00 0.00 C ATOM 1711 OD1 ASN A 111 14.656 -6.961 -13.641 1.00 0.00 O ATOM 1712 ND2 ASN A 111 14.867 -6.545 -15.816 1.00 0.00 N ATOM 0 H ASN A 111 12.568 -8.419 -13.392 1.00 0.00 H new ATOM 0 HA ASN A 111 10.686 -6.433 -14.506 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.635 -5.434 -15.696 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.647 -5.224 -13.956 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.820 -6.908 -15.824 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.449 -6.189 -16.676 1.00 0.00 H new ATOM 1719 N GLU A 112 10.171 -7.939 -16.244 1.00 0.00 N ATOM 1720 CA GLU A 112 9.752 -8.398 -17.576 1.00 0.00 C ATOM 1721 C GLU A 112 8.966 -7.247 -18.240 1.00 0.00 C ATOM 1722 O GLU A 112 8.814 -6.186 -17.629 1.00 0.00 O ATOM 1723 CB GLU A 112 8.853 -9.632 -17.389 1.00 0.00 C ATOM 1724 CG GLU A 112 9.620 -10.875 -16.936 1.00 0.00 C ATOM 1725 CD GLU A 112 9.907 -10.915 -15.444 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.946 -10.917 -14.645 1.00 0.00 O ATOM 1727 OE2 GLU A 112 11.097 -10.953 -15.063 1.00 0.00 O ATOM 0 H GLU A 112 9.394 -7.728 -15.618 1.00 0.00 H new ATOM 0 HA GLU A 112 10.601 -8.667 -18.204 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.081 -9.402 -16.655 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.345 -9.849 -18.329 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.048 -11.762 -17.209 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.564 -10.925 -17.479 1.00 0.00 H new ATOM 1734 N PRO A 113 8.408 -7.391 -19.455 1.00 0.00 N ATOM 1735 CA PRO A 113 7.625 -6.299 -20.068 1.00 0.00 C ATOM 1736 C PRO A 113 6.418 -5.724 -19.300 1.00 0.00 C ATOM 1737 O PRO A 113 5.923 -4.645 -19.627 1.00 0.00 O ATOM 1738 CB PRO A 113 7.257 -6.891 -21.424 1.00 0.00 C ATOM 1739 CG PRO A 113 8.455 -7.775 -21.768 1.00 0.00 C ATOM 1740 CD PRO A 113 8.888 -8.383 -20.433 1.00 0.00 C ATOM 0 HA PRO A 113 8.222 -5.387 -20.097 1.00 0.00 H new ATOM 0 HB2 PRO A 113 6.334 -7.469 -21.372 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.104 -6.114 -22.173 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.182 -8.549 -22.485 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.260 -7.193 -22.217 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.439 -9.363 -20.270 1.00 0.00 H new ATOM 0 HD3 PRO A 113 9.969 -8.515 -20.379 1.00 0.00 H new ATOM 1748 N ASP A 114 6.010 -6.392 -18.230 1.00 0.00 N ATOM 1749 CA ASP A 114 5.297 -5.713 -17.141 1.00 0.00 C ATOM 1750 C ASP A 114 6.351 -5.577 -16.038 1.00 0.00 C ATOM 1751 O ASP A 114 6.775 -6.569 -15.443 1.00 0.00 O ATOM 1752 CB ASP A 114 4.104 -6.549 -16.668 1.00 0.00 C ATOM 1753 CG ASP A 114 2.967 -6.570 -17.686 1.00 0.00 C ATOM 1754 OD1 ASP A 114 2.120 -5.651 -17.660 1.00 0.00 O ATOM 1755 OD2 ASP A 114 2.915 -7.504 -18.513 1.00 0.00 O ATOM 0 H ASP A 114 6.155 -7.391 -18.087 1.00 0.00 H new ATOM 0 HA ASP A 114 4.884 -4.750 -17.442 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.433 -7.570 -16.474 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.735 -6.149 -15.724 1.00 0.00 H new ATOM 1760 N TYR A 115 6.755 -4.346 -15.730 1.00 0.00 N ATOM 1761 CA TYR A 115 7.606 -4.124 -14.556 1.00 0.00 C ATOM 1762 C TYR A 115 6.814 -4.098 -13.255 1.00 0.00 C ATOM 1763 O TYR A 115 5.912 -3.267 -13.124 1.00 0.00 O ATOM 1764 CB TYR A 115 8.357 -2.806 -14.740 1.00 0.00 C ATOM 1765 CG TYR A 115 9.297 -2.496 -13.587 1.00 0.00 C ATOM 1766 CD1 TYR A 115 10.207 -3.416 -13.161 1.00 0.00 C ATOM 1767 CD2 TYR A 115 9.213 -1.291 -12.965 1.00 0.00 C ATOM 1768 CE1 TYR A 115 11.110 -3.082 -12.203 1.00 0.00 C ATOM 1769 CE2 TYR A 115 10.118 -0.955 -12.011 1.00 0.00 C ATOM 1770 CZ TYR A 115 11.094 -1.835 -11.663 1.00 0.00 C ATOM 1771 OH TYR A 115 12.058 -1.464 -10.764 1.00 0.00 O ATOM 0 H TYR A 115 6.517 -3.506 -16.258 1.00 0.00 H new ATOM 0 HA TYR A 115 8.303 -4.958 -14.480 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.928 -2.845 -15.668 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.637 -1.994 -14.843 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.210 -4.410 -13.584 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.426 -0.600 -13.230 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.839 -3.806 -11.871 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.063 0.010 -11.529 1.00 0.00 H new ATOM 0 HH TYR A 115 11.890 -0.546 -10.465 1.00 0.00 H new ATOM 1781 N CYS A 116 7.045 -5.066 -12.356 1.00 0.00 N ATOM 1782 CA CYS A 116 6.541 -4.935 -10.975 1.00 0.00 C ATOM 1783 C CYS A 116 7.467 -5.596 -9.953 1.00 0.00 C ATOM 1784 O CYS A 116 8.661 -5.803 -10.162 1.00 0.00 O ATOM 1785 CB CYS A 116 5.132 -5.561 -10.869 1.00 0.00 C ATOM 1786 SG CYS A 116 5.197 -7.290 -11.406 1.00 0.00 S ATOM 0 H CYS A 116 7.561 -5.925 -12.548 1.00 0.00 H new ATOM 0 HA CYS A 116 6.500 -3.870 -10.746 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.772 -5.501 -9.842 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.427 -5.004 -11.486 1.00 0.00 H new ATOM 0 HG CYS A 116 4.355 -7.993 -10.709 1.00 0.00 H new ATOM 1792 N TRP A 117 6.834 -5.925 -8.821 1.00 0.00 N ATOM 1793 CA TRP A 117 7.508 -6.460 -7.634 1.00 0.00 C ATOM 1794 C TRP A 117 6.652 -7.661 -7.234 1.00 0.00 C ATOM 1795 O TRP A 117 5.428 -7.613 -7.354 1.00 0.00 O ATOM 1796 CB TRP A 117 7.462 -5.467 -6.458 1.00 0.00 C ATOM 1797 CG TRP A 117 7.784 -4.036 -6.794 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.458 -3.580 -7.907 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.492 -2.930 -6.064 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.608 -2.207 -7.904 1.00 0.00 N ATOM 1801 CE2 TRP A 117 8.007 -1.832 -6.713 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.885 -2.827 -4.859 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 8.031 -0.629 -6.086 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.807 -1.603 -4.289 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.415 -0.531 -4.871 1.00 0.00 C ATOM 0 H TRP A 117 5.826 -5.826 -8.703 1.00 0.00 H new ATOM 0 HA TRP A 117 8.553 -6.683 -7.849 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.466 -5.501 -6.017 1.00 0.00 H new ATOM 0 HB3 TRP A 117 8.161 -5.807 -5.693 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.827 -4.223 -8.692 1.00 0.00 H new ATOM 0 HE1 TRP A 117 9.052 -1.615 -8.606 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.475 -3.697 -4.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.521 0.223 -6.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.260 -1.474 -3.367 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.410 0.420 -4.359 1.00 0.00 H new ATOM 1816 N ILE A 118 7.239 -8.685 -6.640 1.00 0.00 N ATOM 1817 CA ILE A 118 6.411 -9.696 -5.971 1.00 0.00 C ATOM 1818 C ILE A 118 6.922 -9.876 -4.541 1.00 0.00 C ATOM 1819 O ILE A 118 8.119 -9.914 -4.257 1.00 0.00 O ATOM 1820 CB ILE A 118 6.301 -10.990 -6.813 1.00 0.00 C ATOM 1821 CG1 ILE A 118 5.926 -12.253 -6.020 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.557 -11.342 -7.598 1.00 0.00 C ATOM 1823 CD1 ILE A 118 4.963 -13.088 -6.853 1.00 0.00 C ATOM 0 H ILE A 118 8.246 -8.844 -6.601 1.00 0.00 H new ATOM 0 HA ILE A 118 5.376 -9.364 -5.890 1.00 0.00 H new ATOM 0 HB ILE A 118 5.490 -10.721 -7.490 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.820 -12.830 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.465 -11.980 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.390 -12.262 -8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.792 -10.533 -8.290 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.389 -11.483 -6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.690 -13.987 -6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.066 -12.506 -7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.443 -13.370 -7.790 1.00 0.00 H new ATOM 1835 N LYS A 119 5.960 -10.105 -3.661 1.00 0.00 N ATOM 1836 CA LYS A 119 6.256 -10.285 -2.237 1.00 0.00 C ATOM 1837 C LYS A 119 6.760 -11.709 -1.957 1.00 0.00 C ATOM 1838 O LYS A 119 6.018 -12.687 -2.038 1.00 0.00 O ATOM 1839 CB LYS A 119 5.005 -9.938 -1.412 1.00 0.00 C ATOM 1840 CG LYS A 119 3.739 -10.746 -1.744 1.00 0.00 C ATOM 1841 CD LYS A 119 2.617 -10.547 -0.721 1.00 0.00 C ATOM 1842 CE LYS A 119 2.993 -11.104 0.656 1.00 0.00 C ATOM 1843 NZ LYS A 119 1.815 -11.155 1.534 1.00 0.00 N ATOM 0 H LYS A 119 4.971 -10.171 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 119 7.059 -9.609 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.238 -10.080 -0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.784 -8.880 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.379 -10.457 -2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.993 -11.805 -1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.390 -9.484 -0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.711 -11.038 -1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.415 -12.103 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.764 -10.480 1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.107 -11.438 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.369 -10.216 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.134 -11.847 1.161 1.00 0.00 H new ATOM 1857 N MET A 120 8.043 -11.828 -1.626 1.00 0.00 N ATOM 1858 CA MET A 120 8.574 -13.107 -1.131 1.00 0.00 C ATOM 1859 C MET A 120 9.015 -12.900 0.319 1.00 0.00 C ATOM 1860 O MET A 120 9.977 -12.183 0.597 1.00 0.00 O ATOM 1861 CB MET A 120 9.741 -13.583 -2.006 1.00 0.00 C ATOM 1862 CG MET A 120 9.290 -13.943 -3.424 1.00 0.00 C ATOM 1863 SD MET A 120 10.686 -14.594 -4.354 1.00 0.00 S ATOM 1864 CE MET A 120 9.882 -14.864 -5.943 1.00 0.00 C ATOM 0 H MET A 120 8.727 -11.074 -1.687 1.00 0.00 H new ATOM 0 HA MET A 120 7.808 -13.881 -1.177 1.00 0.00 H new ATOM 0 HB2 MET A 120 10.499 -12.801 -2.055 1.00 0.00 H new ATOM 0 HB3 MET A 120 10.209 -14.452 -1.544 1.00 0.00 H new ATOM 0 HG2 MET A 120 8.489 -14.682 -3.385 1.00 0.00 H new ATOM 0 HG3 MET A 120 8.887 -13.062 -3.923 1.00 0.00 H new ATOM 0 HE1 MET A 120 10.604 -15.270 -6.652 1.00 0.00 H new ATOM 0 HE2 MET A 120 9.059 -15.568 -5.820 1.00 0.00 H new ATOM 0 HE3 MET A 120 9.495 -13.917 -6.321 1.00 0.00 H new TER 1874 MET A 120