USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 634 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 39 GLN : amide:sc= -2.29 K(o=-12,f=-16!) USER MOD Set 1.2: A 42 GLN : amide:sc= -9.97! C(o=-12!,f=-13!) USER MOD Set 2.1: A 40 SER OG : rot 171:sc= -1.18 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -152:sc= -1.66! (180deg=-2.85!) USER MOD Single : A 5 THR OG1 : rot -170:sc= -0.216 USER MOD Single : A 7 ASN : amide:sc= -21.4! C(o=-21!,f=-23!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 64:sc= -1.17! USER MOD Single : A 21 THR OG1 : rot 38:sc= 0.276 USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.257 (180deg=-0.647) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 82:sc= 0.693 USER MOD Single : A 28 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.2!) USER MOD Single : A 30 ASN : amide:sc= -13.1! C(o=-13!,f=-18!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -148:sc= -2.21! USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.26! C(o=-5.3!,f=-5.6!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 56 TYR OH : rot -157:sc= -12.5! USER MOD Single : A 58 ASN : amide:sc= -2.54! C(o=-2.5!,f=-5.5!) USER MOD Single : A 59 THR OG1 : rot 61:sc= 1.05 USER MOD Single : A 63 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.54) USER MOD Single : A 64 THR OG1 : rot -77:sc= -0.936! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -123:sc= 0.00432 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -148:sc= -0.446 (180deg=-1.81!) USER MOD Single : A 78 ASN : amide:sc= -6.75! C(o=-6.8!,f=-21!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 84 THR OG1 : rot 71:sc= 0.232 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.219 17.044 -5.620 1.00 0.00 N ATOM 38 CA ASP A 3 -7.288 16.067 -5.797 1.00 0.00 C ATOM 39 C ASP A 3 -6.758 14.796 -6.452 1.00 0.00 C ATOM 40 O ASP A 3 -7.004 14.542 -7.632 1.00 0.00 O ATOM 41 CB ASP A 3 -8.414 16.659 -6.636 1.00 0.00 C ATOM 42 CG ASP A 3 -9.723 16.739 -5.877 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.899 15.959 -4.915 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.572 17.581 -6.240 1.00 0.00 O ATOM 0 HA ASP A 3 -7.679 15.810 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.129 17.657 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.553 16.053 -7.531 1.00 0.00 H new ATOM 49 N PRO A 4 -6.019 13.975 -5.690 1.00 0.00 N ATOM 50 CA PRO A 4 -5.449 12.723 -6.192 1.00 0.00 C ATOM 51 C PRO A 4 -6.464 11.588 -6.199 1.00 0.00 C ATOM 52 O PRO A 4 -7.245 11.440 -5.261 1.00 0.00 O ATOM 53 CB PRO A 4 -4.334 12.438 -5.192 1.00 0.00 C ATOM 54 CG PRO A 4 -4.825 13.015 -3.908 1.00 0.00 C ATOM 55 CD PRO A 4 -5.677 14.206 -4.273 1.00 0.00 C ATOM 0 HA PRO A 4 -5.112 12.803 -7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.148 11.368 -5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.396 12.900 -5.501 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.404 12.280 -3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.991 13.314 -3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.570 14.265 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.134 15.142 -4.140 1.00 0.00 H new ATOM 63 N THR A 5 -6.448 10.789 -7.260 1.00 0.00 N ATOM 64 CA THR A 5 -7.374 9.668 -7.371 1.00 0.00 C ATOM 65 C THR A 5 -6.634 8.336 -7.337 1.00 0.00 C ATOM 66 O THR A 5 -6.033 7.920 -8.327 1.00 0.00 O ATOM 67 CB THR A 5 -8.207 9.778 -8.648 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.159 11.095 -9.166 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.662 9.416 -8.445 1.00 0.00 C ATOM 0 H THR A 5 -5.810 10.895 -8.049 1.00 0.00 H new ATOM 0 HA THR A 5 -8.045 9.707 -6.513 1.00 0.00 H new ATOM 0 HB THR A 5 -7.766 9.065 -9.344 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.817 11.187 -9.886 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.197 9.515 -9.390 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.735 8.387 -8.093 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.104 10.085 -7.706 1.00 0.00 H new ATOM 77 N ILE A 6 -6.680 7.670 -6.187 1.00 0.00 N ATOM 78 CA ILE A 6 -6.014 6.384 -6.016 1.00 0.00 C ATOM 79 C ILE A 6 -7.019 5.244 -5.928 1.00 0.00 C ATOM 80 O ILE A 6 -8.165 5.439 -5.522 1.00 0.00 O ATOM 81 CB ILE A 6 -5.139 6.381 -4.752 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.107 5.242 -4.810 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.009 6.277 -3.500 1.00 0.00 C ATOM 84 CD1 ILE A 6 -4.119 4.327 -3.601 1.00 0.00 C ATOM 0 H ILE A 6 -7.173 8.001 -5.358 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.384 6.233 -6.893 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.593 7.323 -4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.291 4.646 -5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.112 5.674 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.374 6.276 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.689 7.128 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.586 5.353 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.362 3.553 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.903 4.907 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.101 3.863 -3.506 1.00 0.00 H new ATOM 96 N ASN A 7 -6.585 4.055 -6.326 1.00 0.00 N ATOM 97 CA ASN A 7 -7.446 2.881 -6.302 1.00 0.00 C ATOM 98 C ASN A 7 -8.132 2.678 -4.965 1.00 0.00 C ATOM 99 O ASN A 7 -9.159 3.314 -4.728 1.00 0.00 O ATOM 100 CB ASN A 7 -6.709 1.637 -6.815 1.00 0.00 C ATOM 101 CG ASN A 7 -5.201 1.686 -6.596 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.440 1.102 -7.364 1.00 0.00 O ATOM 103 ND2 ASN A 7 -4.759 2.379 -5.550 1.00 0.00 N ATOM 0 H ASN A 7 -5.641 3.879 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.262 3.063 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.111 0.755 -6.316 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.909 1.520 -7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.758 2.438 -5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.421 2.851 -4.934 1.00 0.00 H new ATOM 110 N PRO A 8 -7.679 1.792 -4.075 1.00 0.00 N ATOM 111 CA PRO A 8 -8.390 1.584 -2.851 1.00 0.00 C ATOM 112 C PRO A 8 -7.725 2.221 -1.638 1.00 0.00 C ATOM 113 O PRO A 8 -6.873 3.102 -1.769 1.00 0.00 O ATOM 114 CB PRO A 8 -8.334 0.079 -2.772 1.00 0.00 C ATOM 115 CG PRO A 8 -6.954 -0.254 -3.240 1.00 0.00 C ATOM 116 CD PRO A 8 -6.527 0.874 -4.147 1.00 0.00 C ATOM 0 HA PRO A 8 -9.385 2.029 -2.844 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.507 -0.275 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.093 -0.383 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.271 -0.353 -2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.943 -1.205 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.608 1.347 -3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.345 0.530 -5.165 1.00 0.00 H new ATOM 124 N THR A 9 -8.129 1.769 -0.453 1.00 0.00 N ATOM 125 CA THR A 9 -7.581 2.291 0.785 1.00 0.00 C ATOM 126 C THR A 9 -7.552 1.220 1.876 1.00 0.00 C ATOM 127 O THR A 9 -7.347 1.532 3.050 1.00 0.00 O ATOM 128 CB THR A 9 -8.409 3.486 1.260 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.459 4.489 0.261 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.872 4.121 2.525 1.00 0.00 C ATOM 0 H THR A 9 -8.834 1.042 -0.330 1.00 0.00 H new ATOM 0 HA THR A 9 -6.557 2.608 0.591 1.00 0.00 H new ATOM 0 HB THR A 9 -9.402 3.087 1.468 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.994 5.245 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.505 4.962 2.807 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.868 3.384 3.328 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.856 4.474 2.352 1.00 0.00 H new ATOM 138 N SER A 10 -7.761 -0.039 1.495 1.00 0.00 N ATOM 139 CA SER A 10 -7.759 -1.121 2.472 1.00 0.00 C ATOM 140 C SER A 10 -7.556 -2.486 1.812 1.00 0.00 C ATOM 141 O SER A 10 -8.083 -2.759 0.734 1.00 0.00 O ATOM 142 CB SER A 10 -9.067 -1.120 3.263 1.00 0.00 C ATOM 143 OG SER A 10 -10.085 -1.825 2.568 1.00 0.00 O ATOM 0 H SER A 10 -7.931 -0.330 0.532 1.00 0.00 H new ATOM 0 HA SER A 10 -6.921 -0.948 3.148 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.906 -1.577 4.239 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.388 -0.093 3.441 1.00 0.00 H new ATOM 0 HG SER A 10 -10.911 -1.811 3.095 1.00 0.00 H new ATOM 149 N ILE A 11 -6.791 -3.338 2.491 1.00 0.00 N ATOM 150 CA ILE A 11 -6.501 -4.688 2.016 1.00 0.00 C ATOM 151 C ILE A 11 -6.096 -5.582 3.187 1.00 0.00 C ATOM 152 O ILE A 11 -5.558 -5.101 4.183 1.00 0.00 O ATOM 153 CB ILE A 11 -5.381 -4.692 0.943 1.00 0.00 C ATOM 154 CG1 ILE A 11 -4.407 -5.854 1.161 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.636 -3.364 0.941 1.00 0.00 C ATOM 156 CD1 ILE A 11 -3.314 -5.930 0.116 1.00 0.00 C ATOM 0 H ILE A 11 -6.355 -3.112 3.385 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.409 -5.076 1.555 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.852 -4.828 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.951 -5.755 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.965 -6.790 1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.854 -3.386 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.333 -2.556 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.186 -3.198 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.662 -6.776 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.761 -6.060 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.731 -5.009 0.131 1.00 0.00 H new ATOM 168 N SER A 12 -6.356 -6.882 3.071 1.00 0.00 N ATOM 169 CA SER A 12 -6.008 -7.821 4.133 1.00 0.00 C ATOM 170 C SER A 12 -5.678 -9.203 3.580 1.00 0.00 C ATOM 171 O SER A 12 -6.386 -9.734 2.726 1.00 0.00 O ATOM 172 CB SER A 12 -7.142 -7.935 5.146 1.00 0.00 C ATOM 173 OG SER A 12 -8.235 -7.103 4.792 1.00 0.00 O ATOM 0 H SER A 12 -6.803 -7.306 2.258 1.00 0.00 H new ATOM 0 HA SER A 12 -5.119 -7.429 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.476 -8.971 5.207 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.778 -7.659 6.136 1.00 0.00 H new ATOM 0 HG SER A 12 -8.947 -7.198 5.458 1.00 0.00 H new ATOM 179 N ALA A 13 -4.595 -9.777 4.090 1.00 0.00 N ATOM 180 CA ALA A 13 -4.146 -11.095 3.681 1.00 0.00 C ATOM 181 C ALA A 13 -3.017 -11.571 4.587 1.00 0.00 C ATOM 182 O ALA A 13 -2.334 -10.761 5.216 1.00 0.00 O ATOM 183 CB ALA A 13 -3.696 -11.080 2.228 1.00 0.00 C ATOM 0 H ALA A 13 -4.006 -9.339 4.798 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.981 -11.790 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.363 -12.077 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.528 -10.778 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.874 -10.374 2.109 1.00 0.00 H new ATOM 189 N LYS A 14 -2.808 -12.875 4.640 1.00 0.00 N ATOM 190 CA LYS A 14 -1.741 -13.438 5.460 1.00 0.00 C ATOM 191 C LYS A 14 -0.390 -13.075 4.854 1.00 0.00 C ATOM 192 O LYS A 14 -0.279 -12.918 3.638 1.00 0.00 O ATOM 193 CB LYS A 14 -1.890 -14.958 5.571 1.00 0.00 C ATOM 194 CG LYS A 14 -0.639 -15.664 6.075 1.00 0.00 C ATOM 195 CD LYS A 14 -0.981 -16.761 7.070 1.00 0.00 C ATOM 196 CE LYS A 14 -1.456 -18.023 6.369 1.00 0.00 C ATOM 197 NZ LYS A 14 -1.083 -19.251 7.122 1.00 0.00 N ATOM 0 H LYS A 14 -3.359 -13.564 4.128 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.806 -13.021 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.719 -15.184 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.153 -15.360 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.097 -16.092 5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.025 -14.939 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.105 -16.989 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.756 -16.408 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.539 -17.986 6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.026 -18.066 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.425 -20.089 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.048 -19.300 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.514 -19.223 8.068 1.00 0.00 H new ATOM 211 N ALA A 15 0.630 -12.930 5.689 1.00 0.00 N ATOM 212 CA ALA A 15 1.940 -12.571 5.173 1.00 0.00 C ATOM 213 C ALA A 15 2.465 -13.651 4.260 1.00 0.00 C ATOM 214 O ALA A 15 2.885 -14.724 4.692 1.00 0.00 O ATOM 215 CB ALA A 15 2.927 -12.258 6.290 1.00 0.00 C ATOM 0 H ALA A 15 0.578 -13.052 6.700 1.00 0.00 H new ATOM 0 HA ALA A 15 1.826 -11.657 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.893 -11.995 5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.554 -11.422 6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.042 -13.133 6.930 1.00 0.00 H new ATOM 221 N GLY A 16 2.390 -13.349 2.981 1.00 0.00 N ATOM 222 CA GLY A 16 2.805 -14.268 1.957 1.00 0.00 C ATOM 223 C GLY A 16 1.735 -14.365 0.904 1.00 0.00 C ATOM 224 O GLY A 16 2.014 -14.363 -0.285 1.00 0.00 O ATOM 0 H GLY A 16 2.039 -12.459 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.740 -13.932 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.994 -15.250 2.390 1.00 0.00 H new ATOM 228 N SER A 17 0.487 -14.383 1.352 1.00 0.00 N ATOM 229 CA SER A 17 -0.634 -14.431 0.450 1.00 0.00 C ATOM 230 C SER A 17 -0.759 -13.107 -0.286 1.00 0.00 C ATOM 231 O SER A 17 -1.754 -12.835 -0.959 1.00 0.00 O ATOM 232 CB SER A 17 -1.897 -14.703 1.255 1.00 0.00 C ATOM 233 OG SER A 17 -1.643 -14.629 2.649 1.00 0.00 O ATOM 0 H SER A 17 0.235 -14.365 2.340 1.00 0.00 H new ATOM 0 HA SER A 17 -0.488 -15.224 -0.283 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.667 -13.980 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.285 -15.691 1.005 1.00 0.00 H new ATOM 0 HG SER A 17 -1.382 -13.715 2.886 1.00 0.00 H new ATOM 239 N PHE A 18 0.258 -12.280 -0.142 1.00 0.00 N ATOM 240 CA PHE A 18 0.284 -10.984 -0.758 1.00 0.00 C ATOM 241 C PHE A 18 1.045 -11.015 -2.063 1.00 0.00 C ATOM 242 O PHE A 18 2.208 -10.625 -2.124 1.00 0.00 O ATOM 243 CB PHE A 18 0.947 -10.014 0.191 1.00 0.00 C ATOM 244 CG PHE A 18 0.079 -9.606 1.346 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.189 -9.101 1.139 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.542 -9.731 2.645 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.984 -8.728 2.206 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.241 -9.362 3.715 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.507 -8.861 3.497 1.00 0.00 C ATOM 0 H PHE A 18 1.089 -12.496 0.409 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.738 -10.673 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.861 -10.466 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.241 -9.122 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.564 -8.996 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.532 -10.124 2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.974 -8.334 2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.135 -9.465 4.722 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.126 -8.573 4.334 1.00 0.00 H new ATOM 259 N ALA A 19 0.385 -11.471 -3.106 1.00 0.00 N ATOM 260 CA ALA A 19 1.012 -11.540 -4.416 1.00 0.00 C ATOM 261 C ALA A 19 1.240 -10.133 -4.954 1.00 0.00 C ATOM 262 O ALA A 19 0.420 -9.242 -4.737 1.00 0.00 O ATOM 263 CB ALA A 19 0.150 -12.347 -5.377 1.00 0.00 C ATOM 0 H ALA A 19 -0.580 -11.799 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 19 1.975 -12.041 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.634 -12.389 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.024 -13.359 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.826 -11.872 -5.476 1.00 0.00 H new ATOM 269 N ASP A 20 2.367 -9.931 -5.640 1.00 0.00 N ATOM 270 CA ASP A 20 2.702 -8.617 -6.192 1.00 0.00 C ATOM 271 C ASP A 20 1.444 -7.887 -6.644 1.00 0.00 C ATOM 272 O ASP A 20 0.609 -8.457 -7.345 1.00 0.00 O ATOM 273 CB ASP A 20 3.671 -8.766 -7.367 1.00 0.00 C ATOM 274 CG ASP A 20 4.188 -7.431 -7.863 1.00 0.00 C ATOM 275 OD1 ASP A 20 3.466 -6.764 -8.634 1.00 0.00 O ATOM 276 OD2 ASP A 20 5.315 -7.051 -7.482 1.00 0.00 O ATOM 0 H ASP A 20 3.060 -10.656 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 20 3.182 -8.030 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.513 -9.388 -7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.170 -9.285 -8.184 1.00 0.00 H new ATOM 281 N THR A 21 1.300 -6.633 -6.231 1.00 0.00 N ATOM 282 CA THR A 21 0.132 -5.862 -6.590 1.00 0.00 C ATOM 283 C THR A 21 0.523 -4.612 -7.351 1.00 0.00 C ATOM 284 O THR A 21 1.673 -4.174 -7.325 1.00 0.00 O ATOM 285 CB THR A 21 -0.662 -5.491 -5.339 1.00 0.00 C ATOM 286 OG1 THR A 21 -1.187 -6.651 -4.720 1.00 0.00 O ATOM 287 CG2 THR A 21 -1.817 -4.554 -5.620 1.00 0.00 C ATOM 0 H THR A 21 1.977 -6.137 -5.651 1.00 0.00 H new ATOM 0 HA THR A 21 -0.495 -6.475 -7.238 1.00 0.00 H new ATOM 0 HB THR A 21 0.045 -4.981 -4.685 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.537 -7.381 -4.789 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.339 -4.331 -4.690 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.438 -3.629 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.507 -5.027 -6.319 1.00 0.00 H new ATOM 295 N LYS A 22 -0.451 -4.051 -8.020 1.00 0.00 N ATOM 296 CA LYS A 22 -0.271 -2.845 -8.801 1.00 0.00 C ATOM 297 C LYS A 22 -1.224 -1.761 -8.324 1.00 0.00 C ATOM 298 O LYS A 22 -2.181 -2.035 -7.601 1.00 0.00 O ATOM 299 CB LYS A 22 -0.498 -3.129 -10.288 1.00 0.00 C ATOM 300 CG LYS A 22 0.629 -2.640 -11.180 1.00 0.00 C ATOM 301 CD LYS A 22 1.207 -3.770 -12.015 1.00 0.00 C ATOM 302 CE LYS A 22 0.197 -4.290 -13.024 1.00 0.00 C ATOM 303 NZ LYS A 22 -0.635 -3.195 -13.589 1.00 0.00 N ATOM 0 H LYS A 22 -1.402 -4.419 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 22 0.753 -2.497 -8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.622 -4.203 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.429 -2.657 -10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.259 -1.853 -11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.415 -2.200 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.097 -3.419 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.521 -4.583 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.721 -4.802 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.448 -5.027 -12.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.099 -3.525 -14.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.358 -2.915 -12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.031 -2.377 -13.808 1.00 0.00 H new ATOM 317 N ILE A 23 -0.949 -0.532 -8.723 1.00 0.00 N ATOM 318 CA ILE A 23 -1.774 0.590 -8.326 1.00 0.00 C ATOM 319 C ILE A 23 -1.686 1.724 -9.342 1.00 0.00 C ATOM 320 O ILE A 23 -0.702 1.842 -10.073 1.00 0.00 O ATOM 321 CB ILE A 23 -1.362 1.104 -6.938 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.966 0.212 -5.851 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.779 2.557 -6.741 1.00 0.00 C ATOM 324 CD1 ILE A 23 -1.856 0.789 -4.456 1.00 0.00 C ATOM 0 H ILE A 23 -0.160 -0.288 -9.322 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.806 0.241 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.275 1.063 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.017 0.037 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.470 -0.758 -5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.474 2.892 -5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.300 3.179 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.862 2.641 -6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.306 0.100 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.806 0.937 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.377 1.745 -4.416 1.00 0.00 H new ATOM 336 N THR A 24 -2.719 2.557 -9.376 1.00 0.00 N ATOM 337 CA THR A 24 -2.757 3.683 -10.297 1.00 0.00 C ATOM 338 C THR A 24 -3.040 4.980 -9.548 1.00 0.00 C ATOM 339 O THR A 24 -4.197 5.352 -9.345 1.00 0.00 O ATOM 340 CB THR A 24 -3.820 3.457 -11.373 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.886 2.088 -11.733 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.574 4.254 -12.636 1.00 0.00 C ATOM 0 H THR A 24 -3.540 2.473 -8.777 1.00 0.00 H new ATOM 0 HA THR A 24 -1.782 3.764 -10.777 1.00 0.00 H new ATOM 0 HB THR A 24 -4.757 3.794 -10.929 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.573 1.963 -12.421 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.365 4.047 -13.357 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.568 5.318 -12.400 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.611 3.972 -13.062 1.00 0.00 H new ATOM 350 N LEU A 25 -1.977 5.665 -9.144 1.00 0.00 N ATOM 351 CA LEU A 25 -2.101 6.916 -8.426 1.00 0.00 C ATOM 352 C LEU A 25 -2.407 8.054 -9.395 1.00 0.00 C ATOM 353 O LEU A 25 -1.519 8.545 -10.090 1.00 0.00 O ATOM 354 CB LEU A 25 -0.808 7.187 -7.664 1.00 0.00 C ATOM 355 CG LEU A 25 -0.889 6.940 -6.158 1.00 0.00 C ATOM 356 CD1 LEU A 25 0.500 6.871 -5.553 1.00 0.00 C ATOM 357 CD2 LEU A 25 -1.712 8.027 -5.485 1.00 0.00 C ATOM 0 H LEU A 25 -1.015 5.368 -9.306 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.925 6.849 -7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.020 6.559 -8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.513 8.223 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.382 5.982 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.421 6.695 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.058 6.056 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.021 7.812 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.760 7.836 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.247 8.997 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.721 8.028 -5.899 1.00 0.00 H new ATOM 369 N THR A 26 -3.675 8.451 -9.446 1.00 0.00 N ATOM 370 CA THR A 26 -4.110 9.515 -10.344 1.00 0.00 C ATOM 371 C THR A 26 -3.565 10.869 -9.905 1.00 0.00 C ATOM 372 O THR A 26 -3.978 11.415 -8.874 1.00 0.00 O ATOM 373 CB THR A 26 -5.637 9.566 -10.403 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.165 8.305 -10.779 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.164 10.595 -11.377 1.00 0.00 C ATOM 0 H THR A 26 -4.420 8.051 -8.875 1.00 0.00 H new ATOM 0 HA THR A 26 -3.717 9.294 -11.336 1.00 0.00 H new ATOM 0 HB THR A 26 -5.957 9.845 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.211 7.722 -9.993 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.254 10.579 -11.369 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.814 11.585 -11.085 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.805 10.364 -12.380 1.00 0.00 H new ATOM 383 N PRO A 27 -2.627 11.422 -10.697 1.00 0.00 N ATOM 384 CA PRO A 27 -1.980 12.712 -10.449 1.00 0.00 C ATOM 385 C PRO A 27 -2.612 13.820 -11.256 1.00 0.00 C ATOM 386 O PRO A 27 -2.046 14.902 -11.408 1.00 0.00 O ATOM 387 CB PRO A 27 -0.621 12.440 -11.017 1.00 0.00 C ATOM 388 CG PRO A 27 -0.983 11.789 -12.296 1.00 0.00 C ATOM 389 CD PRO A 27 -2.095 10.832 -11.942 1.00 0.00 C ATOM 0 HA PRO A 27 -2.025 13.028 -9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.045 13.353 -11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.027 11.789 -10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.312 12.521 -13.033 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.131 11.263 -12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.852 10.780 -12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.726 9.818 -11.787 1.00 0.00 H new ATOM 397 N ASN A 28 -3.771 13.515 -11.803 1.00 0.00 N ATOM 398 CA ASN A 28 -4.518 14.432 -12.641 1.00 0.00 C ATOM 399 C ASN A 28 -4.421 15.865 -12.141 1.00 0.00 C ATOM 400 O ASN A 28 -4.734 16.819 -12.852 1.00 0.00 O ATOM 401 CB ASN A 28 -5.979 14.007 -12.655 1.00 0.00 C ATOM 402 CG ASN A 28 -6.592 14.054 -14.040 1.00 0.00 C ATOM 403 OD1 ASN A 28 -5.912 13.819 -15.040 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.882 14.360 -14.108 1.00 0.00 N ATOM 0 H ASN A 28 -4.227 12.611 -11.677 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.092 14.398 -13.644 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.062 12.994 -12.260 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.548 14.656 -11.989 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.348 14.408 -15.014 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.407 14.547 -13.254 1.00 0.00 H new ATOM 411 N GLY A 29 -3.964 15.990 -10.917 1.00 0.00 N ATOM 412 CA GLY A 29 -3.794 17.292 -10.295 1.00 0.00 C ATOM 413 C GLY A 29 -2.868 17.234 -9.092 1.00 0.00 C ATOM 414 O GLY A 29 -2.806 18.174 -8.302 1.00 0.00 O ATOM 0 H GLY A 29 -3.700 15.203 -10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.393 17.993 -11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.766 17.675 -9.985 1.00 0.00 H new ATOM 418 N ASN A 30 -2.168 16.113 -8.949 1.00 0.00 N ATOM 419 CA ASN A 30 -1.268 15.901 -7.843 1.00 0.00 C ATOM 420 C ASN A 30 -0.017 15.158 -8.292 1.00 0.00 C ATOM 421 O ASN A 30 0.060 14.669 -9.419 1.00 0.00 O ATOM 422 CB ASN A 30 -1.982 15.097 -6.772 1.00 0.00 C ATOM 423 CG ASN A 30 -3.496 15.147 -6.903 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.186 15.670 -6.031 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.020 14.602 -7.999 1.00 0.00 N ATOM 0 H ASN A 30 -2.216 15.331 -9.602 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.964 16.870 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.652 14.059 -6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.695 15.474 -5.790 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.030 14.609 -8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.411 14.178 -8.699 1.00 0.00 H new ATOM 432 N THR A 31 0.954 15.072 -7.395 1.00 0.00 N ATOM 433 CA THR A 31 2.202 14.383 -7.679 1.00 0.00 C ATOM 434 C THR A 31 2.516 13.374 -6.580 1.00 0.00 C ATOM 435 O THR A 31 2.007 13.481 -5.466 1.00 0.00 O ATOM 436 CB THR A 31 3.350 15.384 -7.809 1.00 0.00 C ATOM 437 OG1 THR A 31 4.592 14.711 -7.927 1.00 0.00 O ATOM 438 CG2 THR A 31 3.452 16.334 -6.636 1.00 0.00 C ATOM 0 H THR A 31 0.900 15.474 -6.459 1.00 0.00 H new ATOM 0 HA THR A 31 2.090 13.852 -8.624 1.00 0.00 H new ATOM 0 HB THR A 31 3.128 15.963 -8.706 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.314 15.369 -8.011 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.287 17.017 -6.792 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.528 16.905 -6.549 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.615 15.765 -5.720 1.00 0.00 H new ATOM 446 N PHE A 32 3.351 12.394 -6.903 1.00 0.00 N ATOM 447 CA PHE A 32 3.731 11.363 -5.942 1.00 0.00 C ATOM 448 C PHE A 32 5.192 11.509 -5.536 1.00 0.00 C ATOM 449 O PHE A 32 6.069 11.699 -6.382 1.00 0.00 O ATOM 450 CB PHE A 32 3.491 9.969 -6.532 1.00 0.00 C ATOM 451 CG PHE A 32 3.779 8.845 -5.572 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.626 9.020 -4.208 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.205 7.613 -6.044 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.894 7.984 -3.330 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.474 6.577 -5.171 1.00 0.00 C ATOM 456 CZ PHE A 32 4.317 6.764 -3.812 1.00 0.00 C ATOM 0 H PHE A 32 3.779 12.290 -7.823 1.00 0.00 H new ATOM 0 HA PHE A 32 3.111 11.486 -5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.454 9.897 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.115 9.847 -7.417 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.294 9.974 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.328 7.462 -7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.772 8.132 -2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.807 5.622 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.525 5.955 -3.127 1.00 0.00 H new ATOM 466 N ASN A 33 5.453 11.413 -4.237 1.00 0.00 N ATOM 467 CA ASN A 33 6.807 11.527 -3.716 1.00 0.00 C ATOM 468 C ASN A 33 7.334 10.165 -3.281 1.00 0.00 C ATOM 469 O ASN A 33 8.516 9.862 -3.444 1.00 0.00 O ATOM 470 CB ASN A 33 6.844 12.501 -2.536 1.00 0.00 C ATOM 471 CG ASN A 33 8.148 13.268 -2.459 1.00 0.00 C ATOM 472 OD1 ASN A 33 9.169 12.736 -2.017 1.00 0.00 O ATOM 473 ND2 ASN A 33 8.123 14.525 -2.886 1.00 0.00 N ATOM 0 H ASN A 33 4.740 11.256 -3.524 1.00 0.00 H new ATOM 0 HA ASN A 33 7.446 11.910 -4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.017 13.205 -2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.695 11.949 -1.608 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.971 15.091 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.256 14.925 -3.244 1.00 0.00 H new ATOM 480 N GLY A 34 6.444 9.344 -2.733 1.00 0.00 N ATOM 481 CA GLY A 34 6.833 8.020 -2.288 1.00 0.00 C ATOM 482 C GLY A 34 6.174 7.624 -0.979 1.00 0.00 C ATOM 483 O GLY A 34 5.811 8.484 -0.174 1.00 0.00 O ATOM 0 H GLY A 34 5.460 9.573 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.572 7.292 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.916 7.985 -2.170 1.00 0.00 H new ATOM 487 N ILE A 35 6.007 6.322 -0.777 1.00 0.00 N ATOM 488 CA ILE A 35 5.386 5.804 0.412 1.00 0.00 C ATOM 489 C ILE A 35 6.433 5.345 1.424 1.00 0.00 C ATOM 490 O ILE A 35 7.042 4.277 1.296 1.00 0.00 O ATOM 491 CB ILE A 35 4.468 4.654 0.037 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.947 3.972 1.267 1.00 0.00 C ATOM 493 CG2 ILE A 35 5.181 3.667 -0.853 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.021 2.827 0.956 1.00 0.00 C ATOM 0 H ILE A 35 6.302 5.605 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 35 4.803 6.597 0.879 1.00 0.00 H new ATOM 0 HB ILE A 35 3.622 5.062 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.787 3.603 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.421 4.700 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.504 2.852 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.506 4.168 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.049 3.266 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.677 2.374 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.163 3.195 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.551 2.081 0.363 1.00 0.00 H new ATOM 506 N SER A 36 6.642 6.186 2.423 1.00 0.00 N ATOM 507 CA SER A 36 7.639 5.933 3.470 1.00 0.00 C ATOM 508 C SER A 36 7.428 4.622 4.208 1.00 0.00 C ATOM 509 O SER A 36 8.384 3.886 4.446 1.00 0.00 O ATOM 510 CB SER A 36 7.661 7.093 4.469 1.00 0.00 C ATOM 511 OG SER A 36 6.380 7.298 5.041 1.00 0.00 O ATOM 0 H SER A 36 6.132 7.062 2.538 1.00 0.00 H new ATOM 0 HA SER A 36 8.600 5.853 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.385 6.885 5.257 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.988 8.003 3.967 1.00 0.00 H new ATOM 0 HG SER A 36 6.421 8.043 5.677 1.00 0.00 H new ATOM 517 N GLU A 37 6.197 4.323 4.581 1.00 0.00 N ATOM 518 CA GLU A 37 5.908 3.118 5.284 1.00 0.00 C ATOM 519 C GLU A 37 6.563 1.925 4.602 1.00 0.00 C ATOM 520 O GLU A 37 6.832 0.909 5.246 1.00 0.00 O ATOM 521 CB GLU A 37 4.405 2.943 5.361 1.00 0.00 C ATOM 522 CG GLU A 37 3.618 3.743 4.346 1.00 0.00 C ATOM 523 CD GLU A 37 3.137 5.067 4.889 1.00 0.00 C ATOM 524 OE1 GLU A 37 3.113 5.236 6.127 1.00 0.00 O ATOM 525 OE2 GLU A 37 2.783 5.937 4.072 1.00 0.00 O ATOM 0 H GLU A 37 5.385 4.913 4.400 1.00 0.00 H new ATOM 0 HA GLU A 37 6.315 3.179 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.170 1.887 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.072 3.223 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.240 3.920 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.760 3.158 4.016 1.00 0.00 H new ATOM 532 N LEU A 38 6.837 2.048 3.301 1.00 0.00 N ATOM 533 CA LEU A 38 7.477 0.965 2.578 1.00 0.00 C ATOM 534 C LEU A 38 8.562 1.476 1.633 1.00 0.00 C ATOM 535 O LEU A 38 8.395 1.467 0.414 1.00 0.00 O ATOM 536 CB LEU A 38 6.452 0.132 1.808 1.00 0.00 C ATOM 537 CG LEU A 38 5.044 0.713 1.728 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.249 0.025 0.629 1.00 0.00 C ATOM 539 CD2 LEU A 38 4.333 0.578 3.065 1.00 0.00 C ATOM 0 H LEU A 38 6.627 2.874 2.741 1.00 0.00 H new ATOM 0 HA LEU A 38 7.954 0.326 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.821 -0.015 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.392 -0.853 2.271 1.00 0.00 H new ATOM 0 HG LEU A 38 5.121 1.773 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.246 0.450 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.749 0.172 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.181 -1.042 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.330 0.998 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.265 -0.476 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.893 1.115 3.831 1.00 0.00 H new ATOM 551 N GLN A 39 9.674 1.919 2.221 1.00 0.00 N ATOM 552 CA GLN A 39 10.810 2.435 1.489 1.00 0.00 C ATOM 553 C GLN A 39 10.955 1.732 0.160 1.00 0.00 C ATOM 554 O GLN A 39 11.555 0.666 0.040 1.00 0.00 O ATOM 555 CB GLN A 39 12.094 2.282 2.310 1.00 0.00 C ATOM 556 CG GLN A 39 11.932 2.667 3.771 1.00 0.00 C ATOM 557 CD GLN A 39 11.640 1.475 4.661 1.00 0.00 C ATOM 558 OE1 GLN A 39 12.113 0.367 4.408 1.00 0.00 O ATOM 559 NE2 GLN A 39 10.855 1.696 5.708 1.00 0.00 N ATOM 0 H GLN A 39 9.803 1.926 3.233 1.00 0.00 H new ATOM 0 HA GLN A 39 10.639 3.495 1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.432 1.247 2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.875 2.898 1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.842 3.159 4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.123 3.392 3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.485 2.631 5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.622 0.931 6.341 1.00 0.00 H new ATOM 568 N SER A 40 10.360 2.390 -0.797 1.00 0.00 N ATOM 569 CA SER A 40 10.303 1.995 -2.210 1.00 0.00 C ATOM 570 C SER A 40 10.714 0.561 -2.459 1.00 0.00 C ATOM 571 O SER A 40 10.038 -0.167 -3.172 1.00 0.00 O ATOM 572 CB SER A 40 11.173 2.930 -3.050 1.00 0.00 C ATOM 573 OG SER A 40 11.203 4.236 -2.495 1.00 0.00 O ATOM 0 H SER A 40 9.870 3.267 -0.620 1.00 0.00 H new ATOM 0 HA SER A 40 9.257 2.075 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.187 2.533 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.788 2.973 -4.069 1.00 0.00 H new ATOM 0 HG SER A 40 11.876 4.774 -2.962 1.00 0.00 H new ATOM 579 N SER A 41 11.819 0.171 -1.878 1.00 0.00 N ATOM 580 CA SER A 41 12.309 -1.184 -2.051 1.00 0.00 C ATOM 581 C SER A 41 11.197 -2.184 -1.762 1.00 0.00 C ATOM 582 O SER A 41 11.201 -3.304 -2.275 1.00 0.00 O ATOM 583 CB SER A 41 13.515 -1.447 -1.148 1.00 0.00 C ATOM 584 OG SER A 41 14.634 -1.875 -1.903 1.00 0.00 O ATOM 0 H SER A 41 12.398 0.764 -1.283 1.00 0.00 H new ATOM 0 HA SER A 41 12.630 -1.305 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.768 -0.539 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.260 -2.205 -0.408 1.00 0.00 H new ATOM 0 HG SER A 41 15.392 -2.035 -1.303 1.00 0.00 H new ATOM 590 N GLN A 42 10.249 -1.766 -0.936 1.00 0.00 N ATOM 591 CA GLN A 42 9.128 -2.589 -0.563 1.00 0.00 C ATOM 592 C GLN A 42 8.210 -2.851 -1.750 1.00 0.00 C ATOM 593 O GLN A 42 7.542 -3.884 -1.837 1.00 0.00 O ATOM 594 CB GLN A 42 8.382 -1.844 0.518 1.00 0.00 C ATOM 595 CG GLN A 42 9.122 -1.814 1.838 1.00 0.00 C ATOM 596 CD GLN A 42 10.632 -1.736 1.693 1.00 0.00 C ATOM 597 OE1 GLN A 42 11.256 -2.626 1.112 1.00 0.00 O ATOM 598 NE2 GLN A 42 11.227 -0.683 2.232 1.00 0.00 N ATOM 0 H GLN A 42 10.244 -0.840 -0.508 1.00 0.00 H new ATOM 0 HA GLN A 42 9.474 -3.561 -0.212 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.200 -0.822 0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.407 -2.309 0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.777 -0.958 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.867 -2.708 2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.672 0.031 2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.241 -0.585 2.175 1.00 0.00 H new ATOM 607 N TYR A 43 8.183 -1.888 -2.649 1.00 0.00 N ATOM 608 CA TYR A 43 7.353 -1.951 -3.847 1.00 0.00 C ATOM 609 C TYR A 43 8.105 -1.447 -5.068 1.00 0.00 C ATOM 610 O TYR A 43 9.331 -1.350 -5.075 1.00 0.00 O ATOM 611 CB TYR A 43 6.070 -1.145 -3.636 1.00 0.00 C ATOM 612 CG TYR A 43 6.300 0.333 -3.462 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.950 0.823 -2.339 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.858 1.241 -4.414 1.00 0.00 C ATOM 615 CE1 TYR A 43 7.155 2.176 -2.169 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.055 2.600 -4.251 1.00 0.00 C ATOM 617 CZ TYR A 43 6.707 3.061 -3.125 1.00 0.00 C ATOM 618 OH TYR A 43 6.899 4.416 -2.947 1.00 0.00 O ATOM 0 H TYR A 43 8.736 -1.034 -2.574 1.00 0.00 H new ATOM 0 HA TYR A 43 7.093 -2.994 -4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.409 -1.302 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.552 -1.528 -2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.301 0.134 -1.585 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.352 0.880 -5.297 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.665 2.541 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.702 3.295 -4.998 1.00 0.00 H new ATOM 0 HH TYR A 43 6.161 4.908 -3.363 1.00 0.00 H new ATOM 628 N THR A 44 7.343 -1.137 -6.095 1.00 0.00 N ATOM 629 CA THR A 44 7.882 -0.643 -7.345 1.00 0.00 C ATOM 630 C THR A 44 6.965 0.421 -7.917 1.00 0.00 C ATOM 631 O THR A 44 5.974 0.124 -8.585 1.00 0.00 O ATOM 632 CB THR A 44 8.045 -1.789 -8.347 1.00 0.00 C ATOM 633 OG1 THR A 44 8.435 -2.979 -7.689 1.00 0.00 O ATOM 634 CG2 THR A 44 9.068 -1.501 -9.423 1.00 0.00 C ATOM 0 H THR A 44 6.326 -1.221 -6.087 1.00 0.00 H new ATOM 0 HA THR A 44 8.862 -0.206 -7.155 1.00 0.00 H new ATOM 0 HB THR A 44 7.069 -1.902 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.532 -3.699 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.134 -2.353 -10.099 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.767 -0.616 -9.983 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.041 -1.326 -8.963 1.00 0.00 H new ATOM 642 N LYS A 45 7.300 1.667 -7.628 1.00 0.00 N ATOM 643 CA LYS A 45 6.520 2.800 -8.082 1.00 0.00 C ATOM 644 C LYS A 45 6.620 2.969 -9.589 1.00 0.00 C ATOM 645 O LYS A 45 7.456 2.348 -10.246 1.00 0.00 O ATOM 646 CB LYS A 45 7.003 4.083 -7.406 1.00 0.00 C ATOM 647 CG LYS A 45 8.489 4.097 -7.070 1.00 0.00 C ATOM 648 CD LYS A 45 8.725 3.924 -5.579 1.00 0.00 C ATOM 649 CE LYS A 45 9.731 4.935 -5.054 1.00 0.00 C ATOM 650 NZ LYS A 45 11.106 4.668 -5.566 1.00 0.00 N ATOM 0 H LYS A 45 8.118 1.919 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 45 5.480 2.610 -7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.783 4.928 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.434 4.232 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.994 3.299 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.929 5.037 -7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.782 4.037 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.085 2.914 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.423 5.939 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.738 4.908 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.806 5.018 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.234 3.645 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.239 5.155 -6.475 1.00 0.00 H new ATOM 664 N GLY A 46 5.760 3.821 -10.126 1.00 0.00 N ATOM 665 CA GLY A 46 5.750 4.075 -11.550 1.00 0.00 C ATOM 666 C GLY A 46 5.039 5.367 -11.895 1.00 0.00 C ATOM 667 O GLY A 46 3.958 5.343 -12.483 1.00 0.00 O ATOM 0 H GLY A 46 5.064 4.345 -9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.775 4.117 -11.917 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.262 3.246 -12.062 1.00 0.00 H new ATOM 671 N THR A 47 5.651 6.493 -11.520 1.00 0.00 N ATOM 672 CA THR A 47 5.086 7.820 -11.785 1.00 0.00 C ATOM 673 C THR A 47 3.588 7.750 -12.065 1.00 0.00 C ATOM 674 O THR A 47 3.171 7.455 -13.186 1.00 0.00 O ATOM 675 CB THR A 47 5.805 8.471 -12.969 1.00 0.00 C ATOM 676 OG1 THR A 47 7.173 8.678 -12.676 1.00 0.00 O ATOM 677 CG2 THR A 47 5.214 9.808 -13.364 1.00 0.00 C ATOM 0 H THR A 47 6.544 6.512 -11.028 1.00 0.00 H new ATOM 0 HA THR A 47 5.232 8.425 -10.890 1.00 0.00 H new ATOM 0 HB THR A 47 5.681 7.775 -13.799 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.613 9.093 -13.447 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.769 10.216 -14.209 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.170 9.675 -13.646 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.277 10.497 -12.522 1.00 0.00 H new ATOM 685 N ASN A 48 2.787 8.006 -11.035 1.00 0.00 N ATOM 686 CA ASN A 48 1.332 7.957 -11.154 1.00 0.00 C ATOM 687 C ASN A 48 0.825 6.535 -10.935 1.00 0.00 C ATOM 688 O ASN A 48 -0.373 6.304 -10.843 1.00 0.00 O ATOM 689 CB ASN A 48 0.869 8.474 -12.517 1.00 0.00 C ATOM 690 CG ASN A 48 1.655 9.686 -12.978 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.126 10.481 -12.164 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.799 9.833 -14.292 1.00 0.00 N ATOM 0 H ASN A 48 3.123 8.251 -10.103 1.00 0.00 H new ATOM 0 HA ASN A 48 0.914 8.605 -10.384 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.968 7.679 -13.256 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.189 8.730 -12.464 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.317 10.630 -14.662 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.391 9.149 -14.929 1.00 0.00 H new ATOM 699 N GLU A 49 1.756 5.587 -10.848 1.00 0.00 N ATOM 700 CA GLU A 49 1.413 4.191 -10.630 1.00 0.00 C ATOM 701 C GLU A 49 2.314 3.582 -9.561 1.00 0.00 C ATOM 702 O GLU A 49 3.368 4.133 -9.242 1.00 0.00 O ATOM 703 CB GLU A 49 1.536 3.401 -11.935 1.00 0.00 C ATOM 704 CG GLU A 49 0.373 3.619 -12.890 1.00 0.00 C ATOM 705 CD GLU A 49 0.558 2.890 -14.208 1.00 0.00 C ATOM 706 OE1 GLU A 49 1.647 3.016 -14.809 1.00 0.00 O ATOM 707 OE2 GLU A 49 -0.379 2.192 -14.637 1.00 0.00 O ATOM 0 H GLU A 49 2.757 5.766 -10.926 1.00 0.00 H new ATOM 0 HA GLU A 49 0.380 4.140 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.463 3.682 -12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.609 2.339 -11.702 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.549 3.280 -12.418 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.260 4.686 -13.082 1.00 0.00 H new ATOM 714 N VAL A 50 1.897 2.450 -9.008 1.00 0.00 N ATOM 715 CA VAL A 50 2.675 1.776 -7.970 1.00 0.00 C ATOM 716 C VAL A 50 2.488 0.267 -8.037 1.00 0.00 C ATOM 717 O VAL A 50 1.425 -0.210 -8.425 1.00 0.00 O ATOM 718 CB VAL A 50 2.285 2.269 -6.560 1.00 0.00 C ATOM 719 CG1 VAL A 50 3.517 2.404 -5.680 1.00 0.00 C ATOM 720 CG2 VAL A 50 1.531 3.589 -6.636 1.00 0.00 C ATOM 0 H VAL A 50 1.028 1.979 -9.258 1.00 0.00 H new ATOM 0 HA VAL A 50 3.722 2.019 -8.154 1.00 0.00 H new ATOM 0 HB VAL A 50 1.624 1.527 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.221 2.753 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.009 1.435 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.206 3.121 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.267 3.916 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.162 4.342 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.623 3.456 -7.224 1.00 0.00 H new ATOM 730 N THR A 51 3.522 -0.478 -7.669 1.00 0.00 N ATOM 731 CA THR A 51 3.445 -1.934 -7.705 1.00 0.00 C ATOM 732 C THR A 51 4.033 -2.567 -6.443 1.00 0.00 C ATOM 733 O THR A 51 5.245 -2.565 -6.240 1.00 0.00 O ATOM 734 CB THR A 51 4.173 -2.470 -8.938 1.00 0.00 C ATOM 735 OG1 THR A 51 3.546 -2.020 -10.125 1.00 0.00 O ATOM 736 CG2 THR A 51 4.230 -3.979 -8.993 1.00 0.00 C ATOM 0 H THR A 51 4.414 -0.105 -7.346 1.00 0.00 H new ATOM 0 HA THR A 51 2.390 -2.204 -7.755 1.00 0.00 H new ATOM 0 HB THR A 51 5.191 -2.089 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.027 -2.372 -10.903 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.760 -4.291 -9.893 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.754 -4.356 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.217 -4.381 -9.011 1.00 0.00 H new ATOM 744 N LEU A 52 3.160 -3.130 -5.612 1.00 0.00 N ATOM 745 CA LEU A 52 3.583 -3.791 -4.380 1.00 0.00 C ATOM 746 C LEU A 52 4.330 -5.075 -4.714 1.00 0.00 C ATOM 747 O LEU A 52 3.961 -5.786 -5.651 1.00 0.00 O ATOM 748 CB LEU A 52 2.362 -4.131 -3.524 1.00 0.00 C ATOM 749 CG LEU A 52 2.228 -3.339 -2.226 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.816 -3.452 -1.675 1.00 0.00 C ATOM 751 CD2 LEU A 52 3.249 -3.812 -1.206 1.00 0.00 C ATOM 0 H LEU A 52 2.152 -3.142 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 52 4.239 -3.118 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.465 -3.970 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.396 -5.193 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 52 2.424 -2.288 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.740 -2.881 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.108 -3.058 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.586 -4.499 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.139 -3.236 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.088 -4.869 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.254 -3.671 -1.604 1.00 0.00 H new ATOM 763 N LEU A 53 5.375 -5.374 -3.954 1.00 0.00 N ATOM 764 CA LEU A 53 6.151 -6.578 -4.206 1.00 0.00 C ATOM 765 C LEU A 53 5.896 -7.645 -3.143 1.00 0.00 C ATOM 766 O LEU A 53 6.369 -7.541 -2.014 1.00 0.00 O ATOM 767 CB LEU A 53 7.643 -6.249 -4.274 1.00 0.00 C ATOM 768 CG LEU A 53 8.309 -6.557 -5.617 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.679 -5.901 -5.693 1.00 0.00 C ATOM 770 CD2 LEU A 53 8.425 -8.060 -5.823 1.00 0.00 C ATOM 0 H LEU A 53 5.700 -4.809 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 53 5.830 -6.980 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.777 -5.190 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.159 -6.806 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 53 7.686 -6.149 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.139 -6.130 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.572 -4.821 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.310 -6.281 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.901 -8.260 -6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.026 -8.492 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.431 -8.507 -5.811 1.00 0.00 H new ATOM 782 N ALA A 54 5.151 -8.676 -3.524 1.00 0.00 N ATOM 783 CA ALA A 54 4.817 -9.784 -2.625 1.00 0.00 C ATOM 784 C ALA A 54 5.948 -10.136 -1.654 1.00 0.00 C ATOM 785 O ALA A 54 5.704 -10.740 -0.610 1.00 0.00 O ATOM 786 CB ALA A 54 4.439 -11.010 -3.441 1.00 0.00 C ATOM 0 H ALA A 54 4.760 -8.771 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 54 3.973 -9.455 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.191 -11.832 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.576 -10.779 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.278 -11.299 -4.074 1.00 0.00 H new ATOM 792 N SER A 55 7.176 -9.760 -1.991 1.00 0.00 N ATOM 793 CA SER A 55 8.318 -10.050 -1.130 1.00 0.00 C ATOM 794 C SER A 55 8.266 -9.201 0.126 1.00 0.00 C ATOM 795 O SER A 55 8.467 -9.697 1.234 1.00 0.00 O ATOM 796 CB SER A 55 9.630 -9.803 -1.877 1.00 0.00 C ATOM 797 OG SER A 55 9.773 -8.434 -2.217 1.00 0.00 O ATOM 0 H SER A 55 7.407 -9.257 -2.848 1.00 0.00 H new ATOM 0 HA SER A 55 8.271 -11.101 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.470 -10.117 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.657 -10.410 -2.782 1.00 0.00 H new ATOM 0 HG SER A 55 10.620 -8.302 -2.692 1.00 0.00 H new ATOM 803 N TYR A 56 7.977 -7.923 -0.053 1.00 0.00 N ATOM 804 CA TYR A 56 7.875 -6.990 1.047 1.00 0.00 C ATOM 805 C TYR A 56 6.660 -7.335 1.887 1.00 0.00 C ATOM 806 O TYR A 56 6.761 -7.659 3.074 1.00 0.00 O ATOM 807 CB TYR A 56 7.744 -5.579 0.483 1.00 0.00 C ATOM 808 CG TYR A 56 6.904 -4.638 1.316 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.233 -4.359 2.635 1.00 0.00 C ATOM 810 CD2 TYR A 56 5.781 -4.022 0.776 1.00 0.00 C ATOM 811 CE1 TYR A 56 6.469 -3.494 3.392 1.00 0.00 C ATOM 812 CE2 TYR A 56 5.013 -3.153 1.526 1.00 0.00 C ATOM 813 CZ TYR A 56 5.360 -2.893 2.832 1.00 0.00 C ATOM 814 OH TYR A 56 4.601 -2.025 3.578 1.00 0.00 O ATOM 0 H TYR A 56 7.807 -7.506 -0.968 1.00 0.00 H new ATOM 0 HA TYR A 56 8.764 -7.047 1.675 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.741 -5.153 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.312 -5.641 -0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.101 -4.826 3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.504 -4.226 -0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.738 -3.288 4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.145 -2.680 1.090 1.00 0.00 H new ATOM 0 HH TYR A 56 3.697 -1.975 3.202 1.00 0.00 H new ATOM 824 N LEU A 57 5.515 -7.272 1.235 1.00 0.00 N ATOM 825 CA LEU A 57 4.248 -7.582 1.880 1.00 0.00 C ATOM 826 C LEU A 57 4.363 -8.872 2.683 1.00 0.00 C ATOM 827 O LEU A 57 3.959 -8.934 3.843 1.00 0.00 O ATOM 828 CB LEU A 57 3.135 -7.703 0.835 1.00 0.00 C ATOM 829 CG LEU A 57 1.830 -6.982 1.184 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.114 -5.623 1.806 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.961 -6.827 -0.050 1.00 0.00 C ATOM 0 H LEU A 57 5.433 -7.008 0.253 1.00 0.00 H new ATOM 0 HA LEU A 57 3.998 -6.770 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.505 -7.312 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.917 -8.760 0.681 1.00 0.00 H new ATOM 0 HG LEU A 57 1.292 -7.587 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.173 -5.129 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.697 -5.755 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.676 -5.010 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.038 -6.313 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.496 -6.246 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.724 -7.811 -0.454 1.00 0.00 H new ATOM 843 N ASN A 58 4.930 -9.897 2.057 1.00 0.00 N ATOM 844 CA ASN A 58 5.114 -11.186 2.709 1.00 0.00 C ATOM 845 C ASN A 58 6.103 -11.076 3.869 1.00 0.00 C ATOM 846 O ASN A 58 6.092 -11.895 4.786 1.00 0.00 O ATOM 847 CB ASN A 58 5.605 -12.225 1.700 1.00 0.00 C ATOM 848 CG ASN A 58 5.962 -13.547 2.355 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.435 -13.892 3.413 1.00 0.00 O ATOM 850 ND2 ASN A 58 6.863 -14.294 1.726 1.00 0.00 N ATOM 0 H ASN A 58 5.271 -9.859 1.096 1.00 0.00 H new ATOM 0 HA ASN A 58 4.151 -11.504 3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.832 -12.392 0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.478 -11.835 1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.144 -15.193 2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.274 -13.969 0.851 1.00 0.00 H new ATOM 857 N THR A 59 6.968 -10.067 3.808 1.00 0.00 N ATOM 858 CA THR A 59 7.978 -9.860 4.842 1.00 0.00 C ATOM 859 C THR A 59 7.403 -9.151 6.059 1.00 0.00 C ATOM 860 O THR A 59 7.893 -9.326 7.176 1.00 0.00 O ATOM 861 CB THR A 59 9.154 -9.060 4.278 1.00 0.00 C ATOM 862 OG1 THR A 59 9.812 -9.784 3.256 1.00 0.00 O ATOM 863 CG2 THR A 59 10.189 -8.702 5.326 1.00 0.00 C ATOM 0 H THR A 59 6.990 -9.380 3.054 1.00 0.00 H new ATOM 0 HA THR A 59 8.327 -10.842 5.163 1.00 0.00 H new ATOM 0 HB THR A 59 8.717 -8.140 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.184 -9.961 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.996 -8.136 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.724 -8.098 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.592 -9.614 5.766 1.00 0.00 H new ATOM 871 N LEU A 60 6.369 -8.347 5.842 1.00 0.00 N ATOM 872 CA LEU A 60 5.728 -7.603 6.923 1.00 0.00 C ATOM 873 C LEU A 60 5.699 -8.401 8.226 1.00 0.00 C ATOM 874 O LEU A 60 5.534 -9.622 8.216 1.00 0.00 O ATOM 875 CB LEU A 60 4.305 -7.224 6.522 1.00 0.00 C ATOM 876 CG LEU A 60 4.192 -5.931 5.719 1.00 0.00 C ATOM 877 CD1 LEU A 60 5.114 -5.969 4.514 1.00 0.00 C ATOM 878 CD2 LEU A 60 2.754 -5.699 5.290 1.00 0.00 C ATOM 0 H LEU A 60 5.954 -8.192 4.923 1.00 0.00 H new ATOM 0 HA LEU A 60 6.317 -6.702 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.878 -8.038 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.701 -7.129 7.424 1.00 0.00 H new ATOM 0 HG LEU A 60 4.499 -5.100 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.019 -5.039 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.145 -6.088 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.841 -6.807 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.690 -4.773 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.420 -6.532 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.118 -5.625 6.172 1.00 0.00 H new ATOM 890 N PRO A 61 5.858 -7.711 9.371 1.00 0.00 N ATOM 891 CA PRO A 61 5.851 -8.351 10.691 1.00 0.00 C ATOM 892 C PRO A 61 4.583 -9.164 10.928 1.00 0.00 C ATOM 893 O PRO A 61 3.745 -9.291 10.036 1.00 0.00 O ATOM 894 CB PRO A 61 5.916 -7.170 11.663 1.00 0.00 C ATOM 895 CG PRO A 61 6.522 -6.061 10.877 1.00 0.00 C ATOM 896 CD PRO A 61 6.059 -6.255 9.462 1.00 0.00 C ATOM 0 HA PRO A 61 6.673 -9.058 10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.924 -6.901 12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.520 -7.411 12.538 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.205 -5.092 11.262 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.610 -6.088 10.939 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.138 -5.708 9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.801 -5.905 8.744 1.00 0.00 H new ATOM 904 N GLU A 62 4.451 -9.713 12.135 1.00 0.00 N ATOM 905 CA GLU A 62 3.295 -10.515 12.497 1.00 0.00 C ATOM 906 C GLU A 62 1.999 -9.799 12.185 1.00 0.00 C ATOM 907 O GLU A 62 1.996 -8.749 11.548 1.00 0.00 O ATOM 908 CB GLU A 62 3.352 -10.864 13.984 1.00 0.00 C ATOM 909 CG GLU A 62 4.373 -11.934 14.313 1.00 0.00 C ATOM 910 CD GLU A 62 5.691 -11.356 14.794 1.00 0.00 C ATOM 911 OE1 GLU A 62 5.967 -10.177 14.491 1.00 0.00 O ATOM 912 OE2 GLU A 62 6.445 -12.083 15.474 1.00 0.00 O ATOM 0 H GLU A 62 5.140 -9.612 12.881 1.00 0.00 H new ATOM 0 HA GLU A 62 3.322 -11.429 11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.585 -9.963 14.552 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.367 -11.200 14.309 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.968 -12.593 15.081 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.550 -12.546 13.429 1.00 0.00 H new ATOM 919 N ASN A 63 0.898 -10.399 12.629 1.00 0.00 N ATOM 920 CA ASN A 63 -0.423 -9.866 12.406 1.00 0.00 C ATOM 921 C ASN A 63 -0.424 -8.352 12.537 1.00 0.00 C ATOM 922 O ASN A 63 -0.862 -7.804 13.549 1.00 0.00 O ATOM 923 CB ASN A 63 -1.414 -10.477 13.399 1.00 0.00 C ATOM 924 CG ASN A 63 -1.327 -11.990 13.446 1.00 0.00 C ATOM 925 OD1 ASN A 63 -0.616 -12.555 14.278 1.00 0.00 O ATOM 926 ND2 ASN A 63 -2.050 -12.653 12.551 1.00 0.00 N ATOM 0 H ASN A 63 0.908 -11.273 13.155 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.728 -10.125 11.392 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.223 -10.074 14.393 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.427 -10.182 13.125 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.031 -13.673 12.534 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.625 -12.143 11.881 1.00 0.00 H new ATOM 933 N THR A 64 0.092 -7.688 11.518 1.00 0.00 N ATOM 934 CA THR A 64 0.181 -6.228 11.531 1.00 0.00 C ATOM 935 C THR A 64 -0.680 -5.584 10.453 1.00 0.00 C ATOM 936 O THR A 64 -1.144 -6.248 9.528 1.00 0.00 O ATOM 937 CB THR A 64 1.636 -5.791 11.354 1.00 0.00 C ATOM 938 OG1 THR A 64 2.233 -6.460 10.258 1.00 0.00 O ATOM 939 CG2 THR A 64 2.494 -6.051 12.572 1.00 0.00 C ATOM 0 H THR A 64 0.456 -8.128 10.673 1.00 0.00 H new ATOM 0 HA THR A 64 -0.196 -5.892 12.497 1.00 0.00 H new ATOM 0 HB THR A 64 1.592 -4.715 11.184 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.467 -7.375 10.521 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.513 -5.717 12.377 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.090 -5.505 13.425 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.498 -7.118 12.793 1.00 0.00 H new ATOM 947 N THR A 65 -0.884 -4.275 10.590 1.00 0.00 N ATOM 948 CA THR A 65 -1.683 -3.509 9.641 1.00 0.00 C ATOM 949 C THR A 65 -0.814 -2.486 8.921 1.00 0.00 C ATOM 950 O THR A 65 -0.881 -1.288 9.196 1.00 0.00 O ATOM 951 CB THR A 65 -2.818 -2.796 10.360 1.00 0.00 C ATOM 952 OG1 THR A 65 -3.163 -3.476 11.555 1.00 0.00 O ATOM 953 CG2 THR A 65 -4.072 -2.663 9.524 1.00 0.00 C ATOM 0 H THR A 65 -0.502 -3.721 11.357 1.00 0.00 H new ATOM 0 HA THR A 65 -2.101 -4.200 8.909 1.00 0.00 H new ATOM 0 HB THR A 65 -2.439 -1.796 10.572 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.893 -3.000 12.003 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.840 -2.145 10.099 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.849 -2.094 8.622 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.432 -3.654 9.248 1.00 0.00 H new ATOM 961 N LYS A 66 -0.003 -2.974 8.003 1.00 0.00 N ATOM 962 CA LYS A 66 0.894 -2.130 7.228 1.00 0.00 C ATOM 963 C LYS A 66 0.114 -1.185 6.321 1.00 0.00 C ATOM 964 O LYS A 66 -0.407 -1.599 5.294 1.00 0.00 O ATOM 965 CB LYS A 66 1.830 -3.005 6.395 1.00 0.00 C ATOM 966 CG LYS A 66 2.912 -2.230 5.664 1.00 0.00 C ATOM 967 CD LYS A 66 3.895 -1.595 6.631 1.00 0.00 C ATOM 968 CE LYS A 66 5.310 -1.596 6.079 1.00 0.00 C ATOM 969 NZ LYS A 66 6.329 -1.508 7.159 1.00 0.00 N ATOM 0 H LYS A 66 0.055 -3.966 7.771 1.00 0.00 H new ATOM 0 HA LYS A 66 1.480 -1.524 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.302 -3.739 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.239 -3.560 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.446 -2.898 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.453 -1.455 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.588 -0.571 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.874 -2.135 7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.473 -2.505 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.433 -0.756 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.937 -0.680 6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.853 -1.412 8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.911 -2.370 7.158 1.00 0.00 H new ATOM 983 N THR A 67 0.049 0.078 6.701 1.00 0.00 N ATOM 984 CA THR A 67 -0.663 1.067 5.905 1.00 0.00 C ATOM 985 C THR A 67 0.263 1.729 4.902 1.00 0.00 C ATOM 986 O THR A 67 1.297 2.284 5.272 1.00 0.00 O ATOM 987 CB THR A 67 -1.290 2.122 6.812 1.00 0.00 C ATOM 988 OG1 THR A 67 -2.072 3.031 6.057 1.00 0.00 O ATOM 989 CG2 THR A 67 -0.272 2.924 7.593 1.00 0.00 C ATOM 0 H THR A 67 0.477 0.444 7.551 1.00 0.00 H new ATOM 0 HA THR A 67 -1.452 0.554 5.355 1.00 0.00 H new ATOM 0 HB THR A 67 -1.906 1.566 7.519 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.467 3.699 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.786 3.655 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.312 2.254 8.225 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.393 3.441 6.901 1.00 0.00 H new ATOM 997 N LEU A 68 -0.104 1.663 3.629 1.00 0.00 N ATOM 998 CA LEU A 68 0.692 2.244 2.571 1.00 0.00 C ATOM 999 C LEU A 68 0.155 3.612 2.163 1.00 0.00 C ATOM 1000 O LEU A 68 -0.885 3.714 1.523 1.00 0.00 O ATOM 1001 CB LEU A 68 0.725 1.311 1.364 1.00 0.00 C ATOM 1002 CG LEU A 68 -0.317 0.205 1.360 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -0.550 -0.300 -0.051 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.106 -0.927 2.275 1.00 0.00 C ATOM 0 H LEU A 68 -0.958 1.207 3.308 1.00 0.00 H new ATOM 0 HA LEU A 68 1.706 2.378 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.597 1.909 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.713 0.855 1.307 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.256 0.612 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.299 -1.092 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.902 0.520 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.383 -0.692 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.652 -1.710 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.057 -1.336 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.218 -0.550 3.292 1.00 0.00 H new ATOM 1016 N THR A 69 0.886 4.659 2.532 1.00 0.00 N ATOM 1017 CA THR A 69 0.491 6.022 2.196 1.00 0.00 C ATOM 1018 C THR A 69 1.441 6.623 1.166 1.00 0.00 C ATOM 1019 O THR A 69 2.653 6.663 1.371 1.00 0.00 O ATOM 1020 CB THR A 69 0.482 6.906 3.441 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.133 6.156 4.591 1.00 0.00 O ATOM 1022 CG2 THR A 69 -0.471 8.074 3.344 1.00 0.00 C ATOM 0 H THR A 69 1.754 4.590 3.063 1.00 0.00 H new ATOM 0 HA THR A 69 -0.514 5.978 1.777 1.00 0.00 H new ATOM 0 HB THR A 69 1.497 7.296 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.135 6.742 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.425 8.658 4.263 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.190 8.703 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.486 7.704 3.199 1.00 0.00 H new ATOM 1030 N PHE A 70 0.882 7.103 0.066 1.00 0.00 N ATOM 1031 CA PHE A 70 1.669 7.716 -0.984 1.00 0.00 C ATOM 1032 C PHE A 70 1.881 9.195 -0.690 1.00 0.00 C ATOM 1033 O PHE A 70 0.919 9.957 -0.592 1.00 0.00 O ATOM 1034 CB PHE A 70 0.949 7.541 -2.319 1.00 0.00 C ATOM 1035 CG PHE A 70 0.749 6.103 -2.703 1.00 0.00 C ATOM 1036 CD1 PHE A 70 1.807 5.208 -2.664 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -0.491 5.643 -3.099 1.00 0.00 C ATOM 1038 CE1 PHE A 70 1.629 3.884 -3.013 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -0.678 4.319 -3.449 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.379 3.439 -3.407 1.00 0.00 C ATOM 0 H PHE A 70 -0.121 7.078 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 70 2.645 7.233 -1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.022 8.034 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.520 8.042 -3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.784 5.551 -2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.326 6.327 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.462 3.198 -2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.655 3.975 -3.756 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.234 2.404 -3.681 1.00 0.00 H new ATOM 1050 N ASP A 71 3.136 9.600 -0.542 1.00 0.00 N ATOM 1051 CA ASP A 71 3.446 10.992 -0.252 1.00 0.00 C ATOM 1052 C ASP A 71 3.130 11.863 -1.445 1.00 0.00 C ATOM 1053 O ASP A 71 3.994 12.179 -2.264 1.00 0.00 O ATOM 1054 CB ASP A 71 4.904 11.150 0.132 1.00 0.00 C ATOM 1055 CG ASP A 71 5.298 12.599 0.346 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.403 13.470 0.300 1.00 0.00 O ATOM 1057 OD2 ASP A 71 6.498 12.863 0.562 1.00 0.00 O ATOM 0 H ASP A 71 3.949 8.989 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 71 2.829 11.307 0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.099 10.586 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.530 10.719 -0.649 1.00 0.00 H new ATOM 1062 N PHE A 72 1.875 12.238 -1.521 1.00 0.00 N ATOM 1063 CA PHE A 72 1.375 13.076 -2.600 1.00 0.00 C ATOM 1064 C PHE A 72 1.453 14.552 -2.216 1.00 0.00 C ATOM 1065 O PHE A 72 0.769 15.391 -2.800 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.066 12.699 -2.938 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.209 11.956 -4.235 1.00 0.00 C ATOM 1068 CD1 PHE A 72 0.511 10.800 -4.472 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -1.067 12.418 -5.217 1.00 0.00 C ATOM 1070 CE1 PHE A 72 0.378 10.120 -5.666 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.204 11.744 -6.412 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.477 10.593 -6.638 1.00 0.00 C ATOM 0 H PHE A 72 1.165 11.973 -0.838 1.00 0.00 H new ATOM 0 HA PHE A 72 1.999 12.913 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.470 12.086 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.669 13.606 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.184 10.425 -3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.637 13.319 -5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.944 9.217 -5.839 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.878 12.116 -7.169 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.578 10.064 -7.574 1.00 0.00 H new ATOM 1082 N GLY A 73 2.280 14.859 -1.222 1.00 0.00 N ATOM 1083 CA GLY A 73 2.423 16.231 -0.777 1.00 0.00 C ATOM 1084 C GLY A 73 1.105 16.840 -0.350 1.00 0.00 C ATOM 1085 O GLY A 73 1.004 18.055 -0.170 1.00 0.00 O ATOM 0 H GLY A 73 2.853 14.182 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.124 16.268 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.852 16.828 -1.582 1.00 0.00 H new ATOM 1089 N VAL A 74 0.090 15.999 -0.184 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.222 16.467 0.223 1.00 0.00 C ATOM 1091 C VAL A 74 -1.492 16.130 1.684 1.00 0.00 C ATOM 1092 O VAL A 74 -2.112 16.910 2.406 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.337 15.861 -0.645 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.260 16.403 -2.063 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.256 14.344 -0.640 1.00 0.00 C ATOM 0 H VAL A 74 0.154 14.991 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.224 17.549 0.091 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.299 16.149 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.056 15.964 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.375 17.487 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.294 16.147 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.054 13.935 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.291 14.030 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.365 13.977 0.381 1.00 0.00 H new ATOM 1105 N GLY A 75 -1.013 14.965 2.117 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.210 14.548 3.494 1.00 0.00 C ATOM 1107 C GLY A 75 -2.651 14.202 3.803 1.00 0.00 C ATOM 1108 O GLY A 75 -2.987 13.043 4.053 1.00 0.00 O ATOM 0 H GLY A 75 -0.493 14.305 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.581 13.682 3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.882 15.346 4.161 1.00 0.00 H new ATOM 1112 N THR A 76 -3.496 15.215 3.796 1.00 0.00 N ATOM 1113 CA THR A 76 -4.916 15.039 4.082 1.00 0.00 C ATOM 1114 C THR A 76 -5.569 14.095 3.077 1.00 0.00 C ATOM 1115 O THR A 76 -6.084 13.040 3.446 1.00 0.00 O ATOM 1116 CB THR A 76 -5.627 16.391 4.055 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.965 17.324 4.891 1.00 0.00 O ATOM 1118 CG2 THR A 76 -7.072 16.317 4.500 1.00 0.00 C ATOM 0 H THR A 76 -3.226 16.178 3.594 1.00 0.00 H new ATOM 0 HA THR A 76 -5.007 14.599 5.075 1.00 0.00 H new ATOM 0 HB THR A 76 -5.602 16.709 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.435 18.183 4.858 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.517 17.311 4.457 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.622 15.644 3.841 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.119 15.942 5.522 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.550 14.486 1.805 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.145 13.682 0.750 1.00 0.00 C ATOM 1128 C LYS A 77 -5.160 12.646 0.220 1.00 0.00 C ATOM 1129 O LYS A 77 -5.411 12.003 -0.796 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.629 14.577 -0.388 1.00 0.00 C ATOM 1131 CG LYS A 77 -7.218 15.897 0.079 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.648 16.071 -0.401 1.00 0.00 C ATOM 1133 CE LYS A 77 -8.726 17.031 -1.578 1.00 0.00 C ATOM 1134 NZ LYS A 77 -7.930 18.267 -1.340 1.00 0.00 N ATOM 0 H LYS A 77 -5.127 15.357 1.483 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.997 13.151 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.794 14.779 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.380 14.039 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.191 15.944 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.607 16.720 -0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.056 15.103 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.265 16.444 0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.363 16.533 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.767 17.299 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.385 19.070 -1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.879 18.456 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.969 18.139 -1.717 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.044 12.487 0.918 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.026 11.522 0.518 1.00 0.00 C ATOM 1150 C ASN A 78 -3.637 10.136 0.331 1.00 0.00 C ATOM 1151 O ASN A 78 -4.123 9.532 1.286 1.00 0.00 O ATOM 1152 CB ASN A 78 -1.919 11.457 1.570 1.00 0.00 C ATOM 1153 CG ASN A 78 -0.574 11.899 1.037 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -0.477 12.467 -0.047 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.473 11.642 1.805 1.00 0.00 N ATOM 0 H ASN A 78 -3.820 13.012 1.763 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.603 11.849 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.193 12.085 2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.839 10.436 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.407 11.919 1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.346 11.167 2.699 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.620 9.609 -0.898 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.174 8.286 -1.196 1.00 0.00 C ATOM 1164 C PRO A 79 -3.425 7.176 -0.472 1.00 0.00 C ATOM 1165 O PRO A 79 -2.393 6.696 -0.943 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.004 8.150 -2.712 1.00 0.00 C ATOM 1167 CG PRO A 79 -2.933 9.122 -3.071 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.059 10.257 -2.096 1.00 0.00 C ATOM 0 HA PRO A 79 -5.210 8.196 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.723 7.134 -2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.933 8.376 -3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.948 8.659 -3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.053 9.473 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.094 10.720 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.714 11.042 -2.474 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.951 6.772 0.674 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.335 5.716 1.469 1.00 0.00 C ATOM 1178 C LYS A 80 -4.259 4.510 1.569 1.00 0.00 C ATOM 1179 O LYS A 80 -5.455 4.607 1.300 1.00 0.00 O ATOM 1180 CB LYS A 80 -3.003 6.220 2.877 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.541 7.611 3.182 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.509 7.905 4.673 1.00 0.00 C ATOM 1183 CE LYS A 80 -3.262 9.381 4.945 1.00 0.00 C ATOM 1184 NZ LYS A 80 -2.467 9.591 6.188 1.00 0.00 N ATOM 0 H LYS A 80 -4.805 7.159 1.077 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.412 5.420 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.406 5.518 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.920 6.225 3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.949 8.356 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.564 7.695 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.454 7.604 5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.727 7.311 5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.736 9.823 4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.217 9.899 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.320 10.610 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.980 9.192 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.545 9.118 6.095 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.699 3.375 1.969 1.00 0.00 N ATOM 1199 CA LEU A 81 -4.480 2.159 2.115 1.00 0.00 C ATOM 1200 C LEU A 81 -3.886 1.269 3.202 1.00 0.00 C ATOM 1201 O LEU A 81 -2.691 0.989 3.205 1.00 0.00 O ATOM 1202 CB LEU A 81 -4.577 1.405 0.784 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.345 0.594 0.396 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.335 -0.733 1.130 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -3.309 0.374 -1.105 1.00 0.00 C ATOM 0 H LEU A 81 -2.710 3.274 2.197 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.490 2.438 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.433 0.732 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.780 2.126 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.455 1.153 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.450 -1.301 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.318 -0.554 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.229 -1.299 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.424 -0.206 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.203 -0.168 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.274 1.338 -1.613 1.00 0.00 H new ATOM 1217 N THR A 82 -4.730 0.853 4.139 1.00 0.00 N ATOM 1218 CA THR A 82 -4.285 0.019 5.250 1.00 0.00 C ATOM 1219 C THR A 82 -4.164 -1.443 4.847 1.00 0.00 C ATOM 1220 O THR A 82 -5.165 -2.117 4.603 1.00 0.00 O ATOM 1221 CB THR A 82 -5.252 0.150 6.426 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.987 -0.831 7.406 1.00 0.00 O ATOM 1223 CG2 THR A 82 -6.704 0.023 6.027 1.00 0.00 C ATOM 0 H THR A 82 -5.725 1.079 4.152 1.00 0.00 H new ATOM 0 HA THR A 82 -3.296 0.369 5.546 1.00 0.00 H new ATOM 0 HB THR A 82 -5.089 1.153 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.616 -0.728 8.150 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.334 0.126 6.910 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.954 0.805 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.872 -0.953 5.573 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.928 -1.941 4.804 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.683 -3.334 4.460 1.00 0.00 C ATOM 1233 C ILE A 83 -2.529 -4.162 5.731 1.00 0.00 C ATOM 1234 O ILE A 83 -1.640 -3.916 6.550 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.436 -3.501 3.559 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.867 -3.642 2.096 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -0.597 -4.700 3.990 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -0.822 -4.274 1.206 1.00 0.00 C ATOM 0 H ILE A 83 -2.087 -1.400 5.003 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.543 -3.690 3.892 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.815 -2.611 3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.777 -4.240 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.115 -2.656 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.271 -4.790 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.265 -4.561 5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.197 -5.607 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.203 -4.339 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.082 -3.665 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.590 -5.275 1.571 1.00 0.00 H new ATOM 1250 N THR A 84 -3.409 -5.138 5.893 1.00 0.00 N ATOM 1251 CA THR A 84 -3.387 -5.998 7.068 1.00 0.00 C ATOM 1252 C THR A 84 -2.703 -7.321 6.769 1.00 0.00 C ATOM 1253 O THR A 84 -3.266 -8.182 6.093 1.00 0.00 O ATOM 1254 CB THR A 84 -4.810 -6.250 7.569 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.658 -5.163 7.238 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.889 -6.458 9.064 1.00 0.00 C ATOM 0 H THR A 84 -4.149 -5.355 5.225 1.00 0.00 H new ATOM 0 HA THR A 84 -2.818 -5.487 7.845 1.00 0.00 H new ATOM 0 HB THR A 84 -5.133 -7.166 7.075 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.819 -5.156 6.271 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.926 -6.631 9.353 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.285 -7.321 9.344 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.513 -5.571 9.575 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.488 -7.481 7.279 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.740 -8.706 7.064 1.00 0.00 C ATOM 1266 C VAL A 85 -0.965 -9.678 8.205 1.00 0.00 C ATOM 1267 O VAL A 85 -0.652 -9.389 9.369 1.00 0.00 O ATOM 1268 CB VAL A 85 0.754 -8.439 6.892 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.288 -7.604 8.046 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.524 -9.743 6.760 1.00 0.00 C ATOM 0 H VAL A 85 -1.005 -6.780 7.841 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.109 -9.149 6.139 1.00 0.00 H new ATOM 0 HB VAL A 85 0.895 -7.872 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.354 -7.426 7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.762 -6.650 8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.132 -8.137 8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.586 -9.528 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.376 -10.345 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.163 -10.292 5.890 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.512 -10.828 7.840 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.811 -11.889 8.790 1.00 0.00 C ATOM 1282 C LEU A 86 -0.827 -13.043 8.643 1.00 0.00 C ATOM 1283 O LEU A 86 -1.185 -14.134 8.198 1.00 0.00 O ATOM 1284 CB LEU A 86 -3.243 -12.395 8.589 1.00 0.00 C ATOM 1285 CG LEU A 86 -4.256 -11.323 8.186 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -5.577 -11.962 7.783 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.464 -10.333 9.323 1.00 0.00 C ATOM 0 H LEU A 86 -1.761 -11.052 6.877 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.716 -11.479 9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.234 -13.171 7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.580 -12.863 9.514 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.862 -10.781 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.286 -11.184 7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.415 -12.631 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.978 -12.529 8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.188 -9.577 9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.837 -10.860 10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.516 -9.852 9.564 1.00 0.00 H new