USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 48 THR OG1 : rot -170:sc= 1.54 USER MOD Set 1.2: A 50 THR OG1 : rot 10:sc= 0.273 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -135:sc= 0.153 (180deg=-0.895) USER MOD Set 2.2: A 69 CYS SG : rot 180:sc= 0.165 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0583 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 7:sc= 0.191 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -170:sc= -0.513 USER MOD Single : A 14 ASN : amide:sc= -0.687 K(o=-0.69,f=-3.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc=-0.00146 (180deg=-0.101) USER MOD Single : A 24 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.27) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 28 CYS SG : rot -8:sc= -0.609 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= -0.95 (180deg=-1.37) USER MOD Single : A 36 ASN : amide:sc= -0.0857 K(o=-0.086,f=-1.4) USER MOD Single : A 37 GLN : amide:sc= -3.07! X(o=-3.1!,f=-2.8) USER MOD Single : A 42 GLN : amide:sc= -0.386 K(o=-0.39,f=-1) USER MOD Single : A 46 MET CE :methyl -135:sc= -1.12 (180deg=-3.54!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.16! C(o=-5.2!,f=-13!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.825 K(o=-0.83,f=-3.4!) USER MOD Single : A 78 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0256) USER MOD Single : A 79 THR OG1 : rot 31:sc= 0.575 USER MOD Single : A 80 MET CE :methyl 150:sc= 0 (180deg=-0.047) USER MOD Single : A 84 SER OG : rot 36:sc= 0.655 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.370 0.394 -12.930 1.00 0.00 N ATOM 2 CA GLY A 1 -27.364 1.100 -13.702 1.00 0.00 C ATOM 3 C GLY A 1 -26.360 1.821 -12.824 1.00 0.00 C ATOM 4 O GLY A 1 -26.643 2.124 -11.665 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.243 -0.631 -13.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.272 0.641 -11.924 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.317 0.666 -13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.839 0.392 -14.343 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.853 1.821 -14.357 1.00 0.00 H new ATOM 8 N SER A 2 -25.183 2.096 -13.377 1.00 0.00 N ATOM 9 CA SER A 2 -24.131 2.781 -12.635 1.00 0.00 C ATOM 10 C SER A 2 -22.960 3.130 -13.549 1.00 0.00 C ATOM 11 O SER A 2 -22.579 2.343 -14.415 1.00 0.00 O ATOM 12 CB SER A 2 -23.645 1.909 -11.475 1.00 0.00 C ATOM 13 OG SER A 2 -22.755 2.625 -10.638 1.00 0.00 O ATOM 0 H SER A 2 -24.934 1.855 -14.336 1.00 0.00 H new ATOM 0 HA SER A 2 -24.546 3.706 -12.236 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.499 1.564 -10.892 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.147 1.022 -11.866 1.00 0.00 H new ATOM 0 HG SER A 2 -22.460 2.047 -9.904 1.00 0.00 H new ATOM 19 N SER A 3 -22.394 4.315 -13.349 1.00 0.00 N ATOM 20 CA SER A 3 -21.269 4.772 -14.157 1.00 0.00 C ATOM 21 C SER A 3 -20.226 5.471 -13.290 1.00 0.00 C ATOM 22 O SER A 3 -20.544 6.014 -12.233 1.00 0.00 O ATOM 23 CB SER A 3 -21.754 5.719 -15.255 1.00 0.00 C ATOM 24 OG SER A 3 -22.056 6.999 -14.728 1.00 0.00 O ATOM 0 H SER A 3 -22.696 4.977 -12.634 1.00 0.00 H new ATOM 0 HA SER A 3 -20.807 3.899 -14.618 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.988 5.811 -16.025 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.639 5.302 -15.735 1.00 0.00 H new ATOM 0 HG SER A 3 -22.362 7.586 -15.450 1.00 0.00 H new ATOM 30 N GLY A 4 -18.978 5.453 -13.746 1.00 0.00 N ATOM 31 CA GLY A 4 -17.906 6.088 -13.002 1.00 0.00 C ATOM 32 C GLY A 4 -16.542 5.532 -13.360 1.00 0.00 C ATOM 33 O GLY A 4 -16.196 4.418 -12.968 1.00 0.00 O ATOM 0 H GLY A 4 -18.690 5.010 -14.618 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.920 7.161 -13.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.080 5.954 -11.934 1.00 0.00 H new ATOM 37 N SER A 5 -15.766 6.309 -14.109 1.00 0.00 N ATOM 38 CA SER A 5 -14.435 5.886 -14.526 1.00 0.00 C ATOM 39 C SER A 5 -13.542 5.631 -13.315 1.00 0.00 C ATOM 40 O SER A 5 -13.092 6.568 -12.654 1.00 0.00 O ATOM 41 CB SER A 5 -13.799 6.945 -15.429 1.00 0.00 C ATOM 42 OG SER A 5 -12.861 6.361 -16.317 1.00 0.00 O ATOM 0 H SER A 5 -16.037 7.235 -14.439 1.00 0.00 H new ATOM 0 HA SER A 5 -14.535 4.955 -15.085 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.575 7.455 -15.999 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.305 7.700 -14.817 1.00 0.00 H new ATOM 0 HG SER A 5 -12.470 7.058 -16.884 1.00 0.00 H new ATOM 48 N SER A 6 -13.291 4.358 -13.030 1.00 0.00 N ATOM 49 CA SER A 6 -12.455 3.978 -11.896 1.00 0.00 C ATOM 50 C SER A 6 -11.684 2.697 -12.195 1.00 0.00 C ATOM 51 O SER A 6 -12.275 1.643 -12.427 1.00 0.00 O ATOM 52 CB SER A 6 -13.313 3.791 -10.644 1.00 0.00 C ATOM 53 OG SER A 6 -13.746 5.038 -10.130 1.00 0.00 O ATOM 0 H SER A 6 -13.654 3.571 -13.568 1.00 0.00 H new ATOM 0 HA SER A 6 -11.738 4.779 -11.720 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.178 3.172 -10.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.741 3.260 -9.883 1.00 0.00 H new ATOM 0 HG SER A 6 -13.492 5.753 -10.750 1.00 0.00 H new ATOM 59 N GLY A 7 -10.358 2.796 -12.188 1.00 0.00 N ATOM 60 CA GLY A 7 -9.526 1.638 -12.460 1.00 0.00 C ATOM 61 C GLY A 7 -8.756 1.178 -11.238 1.00 0.00 C ATOM 62 O GLY A 7 -8.953 0.063 -10.756 1.00 0.00 O ATOM 0 H GLY A 7 -9.845 3.657 -11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.152 0.821 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.824 1.878 -13.259 1.00 0.00 H new ATOM 66 N MET A 8 -7.876 2.038 -10.737 1.00 0.00 N ATOM 67 CA MET A 8 -7.073 1.713 -9.563 1.00 0.00 C ATOM 68 C MET A 8 -7.960 1.270 -8.404 1.00 0.00 C ATOM 69 O MET A 8 -8.032 0.083 -8.084 1.00 0.00 O ATOM 70 CB MET A 8 -6.230 2.919 -9.145 1.00 0.00 C ATOM 71 CG MET A 8 -4.838 2.929 -9.755 1.00 0.00 C ATOM 72 SD MET A 8 -4.187 4.596 -9.972 1.00 0.00 S ATOM 73 CE MET A 8 -2.945 4.646 -8.683 1.00 0.00 C ATOM 0 H MET A 8 -7.700 2.965 -11.125 1.00 0.00 H new ATOM 0 HA MET A 8 -6.409 0.889 -9.824 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.750 3.833 -9.433 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.142 2.931 -8.059 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.162 2.359 -9.117 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.865 2.425 -10.721 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.452 5.618 -8.690 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.419 4.486 -7.715 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.206 3.864 -8.859 1.00 0.00 H new ATOM 83 N ILE A 9 -8.632 2.231 -7.779 1.00 0.00 N ATOM 84 CA ILE A 9 -9.514 1.939 -6.655 1.00 0.00 C ATOM 85 C ILE A 9 -10.434 0.765 -6.970 1.00 0.00 C ATOM 86 O ILE A 9 -10.664 -0.101 -6.126 1.00 0.00 O ATOM 87 CB ILE A 9 -10.370 3.163 -6.280 1.00 0.00 C ATOM 88 CG1 ILE A 9 -9.474 4.357 -5.945 1.00 0.00 C ATOM 89 CG2 ILE A 9 -11.281 2.831 -5.107 1.00 0.00 C ATOM 90 CD1 ILE A 9 -9.131 5.210 -7.146 1.00 0.00 C ATOM 0 H ILE A 9 -8.583 3.218 -8.032 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.876 1.680 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.992 3.429 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.972 4.977 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.552 3.993 -5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.880 3.705 -4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.940 2.007 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.676 2.543 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.494 6.038 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.605 4.605 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.047 5.604 -7.586 1.00 0.00 H new ATOM 102 N ALA A 10 -10.958 0.742 -8.192 1.00 0.00 N ATOM 103 CA ALA A 10 -11.850 -0.328 -8.620 1.00 0.00 C ATOM 104 C ALA A 10 -11.192 -1.693 -8.452 1.00 0.00 C ATOM 105 O ALA A 10 -11.694 -2.550 -7.726 1.00 0.00 O ATOM 106 CB ALA A 10 -12.271 -0.117 -10.067 1.00 0.00 C ATOM 0 H ALA A 10 -10.780 1.452 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.737 -0.302 -7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.937 -0.924 -10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.790 0.837 -10.160 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.388 -0.113 -10.706 1.00 0.00 H new ATOM 112 N ALA A 11 -10.064 -1.888 -9.128 1.00 0.00 N ATOM 113 CA ALA A 11 -9.336 -3.148 -9.052 1.00 0.00 C ATOM 114 C ALA A 11 -8.981 -3.491 -7.609 1.00 0.00 C ATOM 115 O ALA A 11 -9.385 -4.532 -7.091 1.00 0.00 O ATOM 116 CB ALA A 11 -8.078 -3.084 -9.906 1.00 0.00 C ATOM 0 H ALA A 11 -9.635 -1.189 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.983 -3.936 -9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.544 -4.032 -9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.352 -2.894 -10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.435 -2.280 -9.547 1.00 0.00 H new ATOM 122 N TYR A 12 -8.223 -2.610 -6.966 1.00 0.00 N ATOM 123 CA TYR A 12 -7.810 -2.822 -5.584 1.00 0.00 C ATOM 124 C TYR A 12 -9.007 -3.177 -4.707 1.00 0.00 C ATOM 125 O TYR A 12 -8.953 -4.120 -3.917 1.00 0.00 O ATOM 126 CB TYR A 12 -7.118 -1.571 -5.039 1.00 0.00 C ATOM 127 CG TYR A 12 -5.779 -1.291 -5.683 1.00 0.00 C ATOM 128 CD1 TYR A 12 -4.806 -2.278 -5.766 1.00 0.00 C ATOM 129 CD2 TYR A 12 -5.489 -0.038 -6.210 1.00 0.00 C ATOM 130 CE1 TYR A 12 -3.581 -2.026 -6.353 1.00 0.00 C ATOM 131 CE2 TYR A 12 -4.267 0.222 -6.800 1.00 0.00 C ATOM 132 CZ TYR A 12 -3.316 -0.775 -6.868 1.00 0.00 C ATOM 133 OH TYR A 12 -2.098 -0.520 -7.455 1.00 0.00 O ATOM 0 H TYR A 12 -7.882 -1.742 -7.380 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.108 -3.655 -5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.771 -0.711 -5.188 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.978 -1.682 -3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.010 -3.260 -5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.231 0.745 -6.157 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.835 -2.805 -6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.057 1.201 -7.206 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.011 0.442 -7.623 1.00 0.00 H new ATOM 143 N GLU A 13 -10.087 -2.415 -4.853 1.00 0.00 N ATOM 144 CA GLU A 13 -11.297 -2.650 -4.074 1.00 0.00 C ATOM 145 C GLU A 13 -11.781 -4.087 -4.240 1.00 0.00 C ATOM 146 O GLU A 13 -11.852 -4.845 -3.274 1.00 0.00 O ATOM 147 CB GLU A 13 -12.399 -1.676 -4.498 1.00 0.00 C ATOM 148 CG GLU A 13 -12.285 -0.308 -3.848 1.00 0.00 C ATOM 149 CD GLU A 13 -12.786 -0.297 -2.417 1.00 0.00 C ATOM 150 OE1 GLU A 13 -12.438 -1.227 -1.659 1.00 0.00 O ATOM 151 OE2 GLU A 13 -13.526 0.641 -2.055 1.00 0.00 O ATOM 0 H GLU A 13 -10.148 -1.631 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.060 -2.485 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.371 -1.558 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.369 -2.107 -4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.243 0.013 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.852 0.416 -4.433 1.00 0.00 H new ATOM 158 N ASN A 14 -12.115 -4.454 -5.474 1.00 0.00 N ATOM 159 CA ASN A 14 -12.594 -5.800 -5.768 1.00 0.00 C ATOM 160 C ASN A 14 -11.587 -6.849 -5.304 1.00 0.00 C ATOM 161 O ASN A 14 -11.916 -7.731 -4.511 1.00 0.00 O ATOM 162 CB ASN A 14 -12.854 -5.955 -7.267 1.00 0.00 C ATOM 163 CG ASN A 14 -13.560 -7.255 -7.600 1.00 0.00 C ATOM 164 OD1 ASN A 14 -13.249 -8.305 -7.037 1.00 0.00 O ATOM 165 ND2 ASN A 14 -14.515 -7.191 -8.520 1.00 0.00 N ATOM 0 H ASN A 14 -12.063 -3.838 -6.286 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.527 -5.953 -5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.457 -5.117 -7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.906 -5.912 -7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.024 -8.034 -8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.740 -6.299 -8.961 1.00 0.00 H new ATOM 172 N SER A 15 -10.360 -6.745 -5.804 1.00 0.00 N ATOM 173 CA SER A 15 -9.306 -7.686 -5.444 1.00 0.00 C ATOM 174 C SER A 15 -9.231 -7.865 -3.931 1.00 0.00 C ATOM 175 O SER A 15 -9.354 -6.903 -3.173 1.00 0.00 O ATOM 176 CB SER A 15 -7.957 -7.203 -5.979 1.00 0.00 C ATOM 177 OG SER A 15 -7.715 -7.704 -7.282 1.00 0.00 O ATOM 0 H SER A 15 -10.071 -6.019 -6.459 1.00 0.00 H new ATOM 0 HA SER A 15 -9.544 -8.649 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.938 -6.113 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.160 -7.525 -5.309 1.00 0.00 H new ATOM 0 HG SER A 15 -6.847 -7.379 -7.601 1.00 0.00 H new ATOM 183 N LYS A 16 -9.029 -9.105 -3.498 1.00 0.00 N ATOM 184 CA LYS A 16 -8.936 -9.414 -2.076 1.00 0.00 C ATOM 185 C LYS A 16 -7.480 -9.550 -1.642 1.00 0.00 C ATOM 186 O LYS A 16 -6.617 -9.919 -2.440 1.00 0.00 O ATOM 187 CB LYS A 16 -9.695 -10.705 -1.762 1.00 0.00 C ATOM 188 CG LYS A 16 -11.203 -10.571 -1.894 1.00 0.00 C ATOM 189 CD LYS A 16 -11.888 -11.926 -1.856 1.00 0.00 C ATOM 190 CE LYS A 16 -13.399 -11.784 -1.744 1.00 0.00 C ATOM 191 NZ LYS A 16 -14.080 -13.108 -1.720 1.00 0.00 N ATOM 0 H LYS A 16 -8.926 -9.913 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.387 -8.591 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.349 -11.492 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.454 -11.021 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.586 -9.946 -1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.444 -10.067 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.640 -12.486 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.512 -12.501 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.646 -11.232 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.772 -11.199 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.108 -12.968 -1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.865 -13.625 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.743 -13.657 -0.903 1.00 0.00 H new ATOM 205 N TRP A 17 -7.214 -9.252 -0.376 1.00 0.00 N ATOM 206 CA TRP A 17 -5.861 -9.344 0.163 1.00 0.00 C ATOM 207 C TRP A 17 -5.181 -10.630 -0.290 1.00 0.00 C ATOM 208 O TRP A 17 -5.846 -11.605 -0.640 1.00 0.00 O ATOM 209 CB TRP A 17 -5.894 -9.280 1.691 1.00 0.00 C ATOM 210 CG TRP A 17 -4.533 -9.340 2.317 1.00 0.00 C ATOM 211 CD1 TRP A 17 -3.749 -8.281 2.675 1.00 0.00 C ATOM 212 CD2 TRP A 17 -3.796 -10.520 2.656 1.00 0.00 C ATOM 213 NE1 TRP A 17 -2.569 -8.731 3.217 1.00 0.00 N ATOM 214 CE2 TRP A 17 -2.574 -10.101 3.217 1.00 0.00 C ATOM 215 CE3 TRP A 17 -4.051 -11.889 2.541 1.00 0.00 C ATOM 216 CZ2 TRP A 17 -1.611 -11.003 3.660 1.00 0.00 C ATOM 217 CZ3 TRP A 17 -3.094 -12.783 2.982 1.00 0.00 C ATOM 218 CH2 TRP A 17 -1.887 -12.338 3.536 1.00 0.00 C ATOM 0 H TRP A 17 -7.916 -8.945 0.297 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.287 -8.499 -0.217 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.387 -8.358 1.998 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -6.497 -10.105 2.069 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.017 -7.242 2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.812 -8.141 3.563 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.979 -12.242 2.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.679 -10.662 4.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.280 -13.844 2.898 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.160 -13.062 3.872 1.00 0.00 H new ATOM 229 N GLU A 18 -3.851 -10.627 -0.282 1.00 0.00 N ATOM 230 CA GLU A 18 -3.082 -11.795 -0.693 1.00 0.00 C ATOM 231 C GLU A 18 -1.752 -11.861 0.053 1.00 0.00 C ATOM 232 O GLU A 18 -1.120 -10.844 0.337 1.00 0.00 O ATOM 233 CB GLU A 18 -2.831 -11.763 -2.202 1.00 0.00 C ATOM 234 CG GLU A 18 -1.895 -10.649 -2.640 1.00 0.00 C ATOM 235 CD GLU A 18 -2.192 -10.155 -4.042 1.00 0.00 C ATOM 236 OE1 GLU A 18 -2.351 -10.999 -4.949 1.00 0.00 O ATOM 237 OE2 GLU A 18 -2.267 -8.923 -4.233 1.00 0.00 O ATOM 0 H GLU A 18 -3.285 -9.829 0.005 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.662 -12.685 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.413 -12.721 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.784 -11.649 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.975 -9.817 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.866 -11.005 -2.595 1.00 0.00 H new ATOM 244 N PRO A 19 -1.318 -13.088 0.379 1.00 0.00 N ATOM 245 CA PRO A 19 -0.060 -13.317 1.096 1.00 0.00 C ATOM 246 C PRO A 19 1.162 -13.005 0.238 1.00 0.00 C ATOM 247 O PRO A 19 1.607 -13.838 -0.552 1.00 0.00 O ATOM 248 CB PRO A 19 -0.110 -14.810 1.432 1.00 0.00 C ATOM 249 CG PRO A 19 -1.000 -15.402 0.394 1.00 0.00 C ATOM 250 CD PRO A 19 -2.020 -14.345 0.072 1.00 0.00 C ATOM 0 HA PRO A 19 0.034 -12.672 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.884 -15.256 1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.505 -14.977 2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.433 -15.680 -0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.480 -16.308 0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.328 -14.389 -0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.921 -14.459 0.675 1.00 0.00 H new ATOM 258 N VAL A 20 1.700 -11.801 0.399 1.00 0.00 N ATOM 259 CA VAL A 20 2.872 -11.379 -0.360 1.00 0.00 C ATOM 260 C VAL A 20 3.950 -10.818 0.561 1.00 0.00 C ATOM 261 O VAL A 20 3.663 -10.037 1.468 1.00 0.00 O ATOM 262 CB VAL A 20 2.506 -10.316 -1.412 1.00 0.00 C ATOM 263 CG1 VAL A 20 1.797 -9.140 -0.758 1.00 0.00 C ATOM 264 CG2 VAL A 20 3.750 -9.852 -2.155 1.00 0.00 C ATOM 0 H VAL A 20 1.343 -11.100 1.048 1.00 0.00 H new ATOM 0 HA VAL A 20 3.256 -12.264 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 20 1.824 -10.765 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.546 -8.399 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.884 -9.488 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.452 -8.689 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.473 -9.101 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.457 -9.420 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.212 -10.702 -2.657 1.00 0.00 H new ATOM 274 N LYS A 21 5.193 -11.222 0.321 1.00 0.00 N ATOM 275 CA LYS A 21 6.317 -10.759 1.126 1.00 0.00 C ATOM 276 C LYS A 21 6.863 -9.439 0.591 1.00 0.00 C ATOM 277 O LYS A 21 7.358 -9.373 -0.534 1.00 0.00 O ATOM 278 CB LYS A 21 7.427 -11.812 1.144 1.00 0.00 C ATOM 279 CG LYS A 21 8.558 -11.488 2.104 1.00 0.00 C ATOM 280 CD LYS A 21 9.351 -12.731 2.471 1.00 0.00 C ATOM 281 CE LYS A 21 8.726 -13.465 3.647 1.00 0.00 C ATOM 282 NZ LYS A 21 8.949 -12.746 4.932 1.00 0.00 N ATOM 0 H LYS A 21 5.447 -11.869 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 21 5.960 -10.599 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.997 -12.776 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.834 -11.916 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.222 -10.752 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.151 -11.035 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.402 -13.398 1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.375 -12.451 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.656 -13.580 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.147 -14.468 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.724 -13.378 5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.944 -12.449 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.335 -11.908 4.972 1.00 0.00 H new ATOM 296 N TRP A 22 6.771 -8.393 1.404 1.00 0.00 N ATOM 297 CA TRP A 22 7.258 -7.075 1.011 1.00 0.00 C ATOM 298 C TRP A 22 8.768 -6.974 1.201 1.00 0.00 C ATOM 299 O TRP A 22 9.309 -7.444 2.201 1.00 0.00 O ATOM 300 CB TRP A 22 6.555 -5.986 1.824 1.00 0.00 C ATOM 301 CG TRP A 22 5.089 -5.880 1.530 1.00 0.00 C ATOM 302 CD1 TRP A 22 4.060 -6.206 2.366 1.00 0.00 C ATOM 303 CD2 TRP A 22 4.490 -5.416 0.315 1.00 0.00 C ATOM 304 NE1 TRP A 22 2.857 -5.974 1.744 1.00 0.00 N ATOM 305 CE2 TRP A 22 3.094 -5.488 0.485 1.00 0.00 C ATOM 306 CE3 TRP A 22 4.997 -4.945 -0.899 1.00 0.00 C ATOM 307 CZ2 TRP A 22 2.202 -5.108 -0.514 1.00 0.00 C ATOM 308 CZ3 TRP A 22 4.110 -4.569 -1.890 1.00 0.00 C ATOM 309 CH2 TRP A 22 2.726 -4.651 -1.692 1.00 0.00 C ATOM 0 H TRP A 22 6.364 -8.431 2.339 1.00 0.00 H new ATOM 0 HA TRP A 22 7.033 -6.932 -0.046 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.692 -6.190 2.886 1.00 0.00 H new ATOM 0 HB3 TRP A 22 7.030 -5.026 1.620 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.175 -6.590 3.369 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.937 -6.137 2.153 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.063 -4.876 -1.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 1.134 -5.172 -0.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.491 -4.206 -2.833 1.00 0.00 H new ATOM 0 HH2 TRP A 22 2.059 -4.347 -2.485 1.00 0.00 H new ATOM 320 N GLU A 23 9.441 -6.357 0.235 1.00 0.00 N ATOM 321 CA GLU A 23 10.889 -6.195 0.298 1.00 0.00 C ATOM 322 C GLU A 23 11.279 -4.727 0.150 1.00 0.00 C ATOM 323 O GLU A 23 10.748 -4.016 -0.701 1.00 0.00 O ATOM 324 CB GLU A 23 11.565 -7.027 -0.794 1.00 0.00 C ATOM 325 CG GLU A 23 10.749 -7.133 -2.071 1.00 0.00 C ATOM 326 CD GLU A 23 11.168 -8.307 -2.935 1.00 0.00 C ATOM 327 OE1 GLU A 23 11.327 -9.419 -2.390 1.00 0.00 O ATOM 328 OE2 GLU A 23 11.335 -8.113 -4.158 1.00 0.00 O ATOM 0 H GLU A 23 9.008 -5.962 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 23 11.227 -6.546 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.534 -6.586 -1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.755 -8.029 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.694 -7.232 -1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.854 -6.211 -2.642 1.00 0.00 H new ATOM 335 N ASN A 24 12.212 -4.282 0.986 1.00 0.00 N ATOM 336 CA ASN A 24 12.673 -2.899 0.949 1.00 0.00 C ATOM 337 C ASN A 24 12.741 -2.386 -0.486 1.00 0.00 C ATOM 338 O ASN A 24 12.921 -3.161 -1.425 1.00 0.00 O ATOM 339 CB ASN A 24 14.048 -2.780 1.611 1.00 0.00 C ATOM 340 CG ASN A 24 14.102 -3.473 2.959 1.00 0.00 C ATOM 341 OD1 ASN A 24 14.666 -4.560 3.089 1.00 0.00 O ATOM 342 ND2 ASN A 24 13.514 -2.845 3.971 1.00 0.00 N ATOM 0 H ASN A 24 12.663 -4.858 1.696 1.00 0.00 H new ATOM 0 HA ASN A 24 11.957 -2.289 1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.803 -3.211 0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.298 -1.727 1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.518 -3.262 4.902 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.058 -1.945 3.817 1.00 0.00 H new ATOM 349 N ASP A 25 12.597 -1.075 -0.647 1.00 0.00 N ATOM 350 CA ASP A 25 12.644 -0.457 -1.967 1.00 0.00 C ATOM 351 C ASP A 25 11.606 -1.080 -2.895 1.00 0.00 C ATOM 352 O ASP A 25 11.921 -1.476 -4.017 1.00 0.00 O ATOM 353 CB ASP A 25 14.041 -0.604 -2.573 1.00 0.00 C ATOM 354 CG ASP A 25 15.131 -0.115 -1.639 1.00 0.00 C ATOM 355 OD1 ASP A 25 14.945 0.951 -1.017 1.00 0.00 O ATOM 356 OD2 ASP A 25 16.170 -0.800 -1.530 1.00 0.00 O ATOM 0 H ASP A 25 12.447 -0.420 0.120 1.00 0.00 H new ATOM 0 HA ASP A 25 12.415 0.603 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.219 -1.651 -2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.089 -0.045 -3.507 1.00 0.00 H new ATOM 361 N MET A 26 10.368 -1.163 -2.419 1.00 0.00 N ATOM 362 CA MET A 26 9.284 -1.738 -3.207 1.00 0.00 C ATOM 363 C MET A 26 8.157 -0.728 -3.398 1.00 0.00 C ATOM 364 O MET A 26 8.099 0.291 -2.708 1.00 0.00 O ATOM 365 CB MET A 26 8.745 -2.999 -2.529 1.00 0.00 C ATOM 366 CG MET A 26 9.453 -4.272 -2.964 1.00 0.00 C ATOM 367 SD MET A 26 8.848 -4.898 -4.543 1.00 0.00 S ATOM 368 CE MET A 26 7.426 -5.846 -4.009 1.00 0.00 C ATOM 0 H MET A 26 10.091 -0.840 -1.492 1.00 0.00 H new ATOM 0 HA MET A 26 9.681 -2.003 -4.187 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.841 -2.890 -1.449 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.681 -3.092 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.523 -4.080 -3.040 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.320 -5.037 -2.199 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.943 -6.297 -4.876 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.748 -6.630 -3.324 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.720 -5.188 -3.502 1.00 0.00 H new ATOM 378 N HIS A 27 7.262 -1.016 -4.338 1.00 0.00 N ATOM 379 CA HIS A 27 6.136 -0.133 -4.619 1.00 0.00 C ATOM 380 C HIS A 27 4.811 -0.835 -4.337 1.00 0.00 C ATOM 381 O HIS A 27 4.658 -2.026 -4.613 1.00 0.00 O ATOM 382 CB HIS A 27 6.179 0.336 -6.074 1.00 0.00 C ATOM 383 CG HIS A 27 7.169 1.432 -6.321 1.00 0.00 C ATOM 384 ND1 HIS A 27 7.074 2.306 -7.383 1.00 0.00 N ATOM 385 CD2 HIS A 27 8.278 1.795 -5.634 1.00 0.00 C ATOM 386 CE1 HIS A 27 8.083 3.158 -7.341 1.00 0.00 C ATOM 387 NE2 HIS A 27 8.828 2.870 -6.289 1.00 0.00 N ATOM 0 H HIS A 27 7.295 -1.854 -4.918 1.00 0.00 H new ATOM 0 HA HIS A 27 6.214 0.734 -3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.422 -0.513 -6.714 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.187 0.681 -6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.659 1.327 -4.738 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.267 3.954 -8.047 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.674 3.365 -6.008 1.00 0.00 H new ATOM 395 N CYS A 28 3.859 -0.091 -3.787 1.00 0.00 N ATOM 396 CA CYS A 28 2.547 -0.643 -3.466 1.00 0.00 C ATOM 397 C CYS A 28 1.536 0.470 -3.210 1.00 0.00 C ATOM 398 O CYS A 28 1.910 1.617 -2.967 1.00 0.00 O ATOM 399 CB CYS A 28 2.640 -1.555 -2.242 1.00 0.00 C ATOM 400 SG CYS A 28 3.494 -0.814 -0.832 1.00 0.00 S ATOM 0 H CYS A 28 3.970 0.896 -3.554 1.00 0.00 H new ATOM 0 HA CYS A 28 2.207 -1.228 -4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.633 -1.837 -1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.156 -2.473 -2.524 1.00 0.00 H new ATOM 0 HG CYS A 28 4.030 0.314 -1.193 1.00 0.00 H new ATOM 406 N ALA A 29 0.255 0.124 -3.269 1.00 0.00 N ATOM 407 CA ALA A 29 -0.810 1.094 -3.043 1.00 0.00 C ATOM 408 C ALA A 29 -1.385 0.960 -1.637 1.00 0.00 C ATOM 409 O ALA A 29 -1.997 -0.054 -1.300 1.00 0.00 O ATOM 410 CB ALA A 29 -1.907 0.925 -4.083 1.00 0.00 C ATOM 0 H ALA A 29 -0.071 -0.821 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.385 2.093 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.695 1.656 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.491 1.079 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.322 -0.081 -4.014 1.00 0.00 H new ATOM 416 N VAL A 30 -1.185 1.989 -0.820 1.00 0.00 N ATOM 417 CA VAL A 30 -1.685 1.986 0.550 1.00 0.00 C ATOM 418 C VAL A 30 -3.086 2.582 0.625 1.00 0.00 C ATOM 419 O VAL A 30 -3.413 3.523 -0.099 1.00 0.00 O ATOM 420 CB VAL A 30 -0.753 2.776 1.488 1.00 0.00 C ATOM 421 CG1 VAL A 30 -0.385 4.117 0.872 1.00 0.00 C ATOM 422 CG2 VAL A 30 -1.406 2.966 2.849 1.00 0.00 C ATOM 0 H VAL A 30 -0.680 2.835 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.718 0.945 0.873 1.00 0.00 H new ATOM 0 HB VAL A 30 0.165 2.204 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.274 4.660 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.126 3.954 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.290 4.700 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.734 3.526 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.339 3.516 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.613 1.992 3.293 1.00 0.00 H new ATOM 432 N LYS A 31 -3.912 2.027 1.505 1.00 0.00 N ATOM 433 CA LYS A 31 -5.280 2.503 1.677 1.00 0.00 C ATOM 434 C LYS A 31 -5.406 3.350 2.939 1.00 0.00 C ATOM 435 O LYS A 31 -4.891 2.985 3.997 1.00 0.00 O ATOM 436 CB LYS A 31 -6.248 1.320 1.746 1.00 0.00 C ATOM 437 CG LYS A 31 -7.710 1.732 1.780 1.00 0.00 C ATOM 438 CD LYS A 31 -8.631 0.523 1.757 1.00 0.00 C ATOM 439 CE LYS A 31 -8.945 0.036 3.163 1.00 0.00 C ATOM 440 NZ LYS A 31 -7.898 -0.890 3.676 1.00 0.00 N ATOM 0 H LYS A 31 -3.658 1.247 2.111 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.534 3.123 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.081 0.674 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.025 0.730 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.902 2.320 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.928 2.373 0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.558 0.780 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.164 -0.281 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.033 0.892 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.910 -0.470 3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.351 -1.711 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.303 -1.213 2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.308 -0.394 4.374 1.00 0.00 H new ATOM 454 N ILE A 32 -6.093 4.481 2.821 1.00 0.00 N ATOM 455 CA ILE A 32 -6.289 5.378 3.953 1.00 0.00 C ATOM 456 C ILE A 32 -7.541 5.006 4.739 1.00 0.00 C ATOM 457 O ILE A 32 -8.511 4.499 4.176 1.00 0.00 O ATOM 458 CB ILE A 32 -6.399 6.845 3.497 1.00 0.00 C ATOM 459 CG1 ILE A 32 -5.439 7.114 2.335 1.00 0.00 C ATOM 460 CG2 ILE A 32 -6.111 7.784 4.658 1.00 0.00 C ATOM 461 CD1 ILE A 32 -5.694 8.430 1.635 1.00 0.00 C ATOM 0 H ILE A 32 -6.523 4.798 1.952 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.415 5.271 4.595 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.417 7.028 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.415 7.103 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.522 6.304 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.193 8.817 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.831 7.606 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.103 7.603 5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.978 8.555 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.706 8.437 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.582 9.248 2.346 1.00 0.00 H new ATOM 473 N GLN A 33 -7.513 5.264 6.043 1.00 0.00 N ATOM 474 CA GLN A 33 -8.647 4.957 6.906 1.00 0.00 C ATOM 475 C GLN A 33 -9.639 6.115 6.934 1.00 0.00 C ATOM 476 O GLN A 33 -10.821 5.940 6.638 1.00 0.00 O ATOM 477 CB GLN A 33 -8.166 4.648 8.325 1.00 0.00 C ATOM 478 CG GLN A 33 -7.401 5.792 8.971 1.00 0.00 C ATOM 479 CD GLN A 33 -6.659 5.365 10.222 1.00 0.00 C ATOM 480 OE1 GLN A 33 -5.867 4.423 10.197 1.00 0.00 O ATOM 481 NE2 GLN A 33 -6.912 6.058 11.326 1.00 0.00 N ATOM 0 H GLN A 33 -6.718 5.684 6.524 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.152 4.080 6.502 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.027 4.402 8.946 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.528 3.764 8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.690 6.200 8.253 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.096 6.593 9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.576 6.832 11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.442 5.817 12.199 1.00 0.00 H new ATOM 490 N ASP A 34 -9.151 7.298 7.291 1.00 0.00 N ATOM 491 CA ASP A 34 -9.994 8.485 7.357 1.00 0.00 C ATOM 492 C ASP A 34 -10.359 8.971 5.957 1.00 0.00 C ATOM 493 O ASP A 34 -11.499 9.355 5.699 1.00 0.00 O ATOM 494 CB ASP A 34 -9.284 9.599 8.128 1.00 0.00 C ATOM 495 CG ASP A 34 -9.746 10.980 7.706 1.00 0.00 C ATOM 496 OD1 ASP A 34 -9.196 11.515 6.720 1.00 0.00 O ATOM 497 OD2 ASP A 34 -10.658 11.526 8.362 1.00 0.00 O ATOM 0 H ASP A 34 -8.175 7.460 7.539 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.912 8.220 7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.463 9.469 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.208 9.516 7.973 1.00 0.00 H new ATOM 502 N LYS A 35 -9.381 8.952 5.057 1.00 0.00 N ATOM 503 CA LYS A 35 -9.598 9.391 3.683 1.00 0.00 C ATOM 504 C LYS A 35 -10.313 8.313 2.875 1.00 0.00 C ATOM 505 O LYS A 35 -10.276 7.134 3.224 1.00 0.00 O ATOM 506 CB LYS A 35 -8.263 9.738 3.020 1.00 0.00 C ATOM 507 CG LYS A 35 -8.367 10.844 1.985 1.00 0.00 C ATOM 508 CD LYS A 35 -8.124 12.211 2.603 1.00 0.00 C ATOM 509 CE LYS A 35 -6.651 12.590 2.556 1.00 0.00 C ATOM 510 NZ LYS A 35 -5.860 11.868 3.591 1.00 0.00 N ATOM 0 H LYS A 35 -8.431 8.637 5.254 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.227 10.281 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.552 10.038 3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.860 8.844 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.642 10.669 1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.355 10.822 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.711 12.961 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.468 12.210 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.249 12.364 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.548 13.665 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.105 12.489 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.484 11.596 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.438 11.014 3.173 1.00 0.00 H new ATOM 524 N ASN A 36 -10.964 8.726 1.792 1.00 0.00 N ATOM 525 CA ASN A 36 -11.688 7.795 0.933 1.00 0.00 C ATOM 526 C ASN A 36 -10.992 7.648 -0.417 1.00 0.00 C ATOM 527 O ASN A 36 -11.645 7.584 -1.458 1.00 0.00 O ATOM 528 CB ASN A 36 -13.127 8.272 0.729 1.00 0.00 C ATOM 529 CG ASN A 36 -13.934 8.243 2.013 1.00 0.00 C ATOM 530 OD1 ASN A 36 -13.540 8.833 3.019 1.00 0.00 O ATOM 531 ND2 ASN A 36 -15.069 7.555 1.983 1.00 0.00 N ATOM 0 H ASN A 36 -11.005 9.699 1.488 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.701 6.821 1.423 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.117 9.287 0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.613 7.643 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.654 7.500 2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.356 7.082 1.126 1.00 0.00 H new ATOM 538 N GLN A 37 -9.665 7.593 -0.389 1.00 0.00 N ATOM 539 CA GLN A 37 -8.881 7.453 -1.611 1.00 0.00 C ATOM 540 C GLN A 37 -7.792 6.399 -1.441 1.00 0.00 C ATOM 541 O GLN A 37 -7.656 5.800 -0.375 1.00 0.00 O ATOM 542 CB GLN A 37 -8.254 8.794 -1.996 1.00 0.00 C ATOM 543 CG GLN A 37 -9.218 9.739 -2.695 1.00 0.00 C ATOM 544 CD GLN A 37 -10.135 10.459 -1.726 1.00 0.00 C ATOM 545 OE1 GLN A 37 -9.725 11.405 -1.052 1.00 0.00 O ATOM 546 NE2 GLN A 37 -11.384 10.015 -1.651 1.00 0.00 N ATOM 0 H GLN A 37 -9.110 7.643 0.465 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.551 7.131 -2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.872 9.278 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.400 8.612 -2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.651 10.474 -3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.820 9.176 -3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.681 9.228 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.047 10.461 -1.016 1.00 0.00 H new ATOM 555 N TRP A 38 -7.021 6.178 -2.499 1.00 0.00 N ATOM 556 CA TRP A 38 -5.943 5.195 -2.467 1.00 0.00 C ATOM 557 C TRP A 38 -4.598 5.852 -2.753 1.00 0.00 C ATOM 558 O TRP A 38 -4.378 6.391 -3.838 1.00 0.00 O ATOM 559 CB TRP A 38 -6.209 4.083 -3.484 1.00 0.00 C ATOM 560 CG TRP A 38 -7.087 2.991 -2.955 1.00 0.00 C ATOM 561 CD1 TRP A 38 -8.451 2.941 -3.000 1.00 0.00 C ATOM 562 CD2 TRP A 38 -6.662 1.792 -2.298 1.00 0.00 C ATOM 563 NE1 TRP A 38 -8.899 1.783 -2.412 1.00 0.00 N ATOM 564 CE2 TRP A 38 -7.822 1.060 -1.974 1.00 0.00 C ATOM 565 CE3 TRP A 38 -5.415 1.263 -1.955 1.00 0.00 C ATOM 566 CZ2 TRP A 38 -7.768 -0.169 -1.322 1.00 0.00 C ATOM 567 CZ3 TRP A 38 -5.363 0.043 -1.308 1.00 0.00 C ATOM 568 CH2 TRP A 38 -6.534 -0.662 -0.997 1.00 0.00 C ATOM 0 H TRP A 38 -7.121 6.665 -3.389 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.909 4.763 -1.467 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.673 4.515 -4.371 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.258 3.654 -3.799 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.085 3.700 -3.434 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -9.876 1.507 -2.317 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.507 1.798 -2.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -8.669 -0.714 -1.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.404 -0.374 -1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.461 -1.613 -0.491 1.00 0.00 H new ATOM 579 N ARG A 39 -3.701 5.804 -1.774 1.00 0.00 N ATOM 580 CA ARG A 39 -2.376 6.396 -1.921 1.00 0.00 C ATOM 581 C ARG A 39 -1.321 5.318 -2.149 1.00 0.00 C ATOM 582 O ARG A 39 -1.574 4.132 -1.935 1.00 0.00 O ATOM 583 CB ARG A 39 -2.022 7.219 -0.681 1.00 0.00 C ATOM 584 CG ARG A 39 -2.827 8.501 -0.550 1.00 0.00 C ATOM 585 CD ARG A 39 -2.282 9.596 -1.452 1.00 0.00 C ATOM 586 NE ARG A 39 -2.786 9.482 -2.818 1.00 0.00 N ATOM 587 CZ ARG A 39 -4.052 9.703 -3.156 1.00 0.00 C ATOM 588 NH1 ARG A 39 -4.937 10.050 -2.232 1.00 0.00 N ATOM 589 NH2 ARG A 39 -4.434 9.578 -4.420 1.00 0.00 N ATOM 0 H ARG A 39 -3.867 5.361 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.393 7.052 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.181 6.608 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.961 7.468 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.869 8.305 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.809 8.839 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.555 10.570 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.193 9.548 -1.462 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.130 9.218 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.647 10.148 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.908 10.219 -2.494 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.756 9.312 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.406 9.748 -4.678 1.00 0.00 H new ATOM 603 N ARG A 40 -0.137 5.738 -2.584 1.00 0.00 N ATOM 604 CA ARG A 40 0.956 4.808 -2.842 1.00 0.00 C ATOM 605 C ARG A 40 2.129 5.075 -1.903 1.00 0.00 C ATOM 606 O ARG A 40 2.418 6.221 -1.564 1.00 0.00 O ATOM 607 CB ARG A 40 1.417 4.921 -4.296 1.00 0.00 C ATOM 608 CG ARG A 40 0.456 4.289 -5.290 1.00 0.00 C ATOM 609 CD ARG A 40 0.798 4.678 -6.720 1.00 0.00 C ATOM 610 NE ARG A 40 0.752 6.124 -6.919 1.00 0.00 N ATOM 611 CZ ARG A 40 1.020 6.715 -8.078 1.00 0.00 C ATOM 612 NH1 ARG A 40 1.352 5.988 -9.136 1.00 0.00 N ATOM 613 NH2 ARG A 40 0.957 8.037 -8.181 1.00 0.00 N ATOM 0 H ARG A 40 0.090 6.716 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 40 0.591 3.797 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.546 5.974 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.394 4.448 -4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.488 3.204 -5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.563 4.600 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.793 4.309 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.100 4.195 -7.404 1.00 0.00 H new ATOM 0 HE ARG A 40 0.500 6.712 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.402 4.972 -9.061 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.557 6.445 -10.025 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.703 8.600 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.163 8.490 -9.072 1.00 0.00 H new ATOM 627 N GLY A 41 2.801 4.006 -1.486 1.00 0.00 N ATOM 628 CA GLY A 41 3.934 4.145 -0.589 1.00 0.00 C ATOM 629 C GLY A 41 5.099 3.261 -0.987 1.00 0.00 C ATOM 630 O GLY A 41 4.929 2.301 -1.737 1.00 0.00 O ATOM 0 H GLY A 41 2.581 3.046 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.259 5.185 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.623 3.896 0.426 1.00 0.00 H new ATOM 634 N GLN A 42 6.285 3.587 -0.484 1.00 0.00 N ATOM 635 CA GLN A 42 7.484 2.816 -0.793 1.00 0.00 C ATOM 636 C GLN A 42 7.927 1.993 0.412 1.00 0.00 C ATOM 637 O GLN A 42 8.237 2.541 1.470 1.00 0.00 O ATOM 638 CB GLN A 42 8.615 3.746 -1.234 1.00 0.00 C ATOM 639 CG GLN A 42 9.755 3.027 -1.937 1.00 0.00 C ATOM 640 CD GLN A 42 11.011 3.872 -2.025 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.003 5.054 -1.681 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.099 3.268 -2.488 1.00 0.00 N ATOM 0 H GLN A 42 6.442 4.379 0.139 1.00 0.00 H new ATOM 0 HA GLN A 42 7.246 2.133 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.210 4.506 -1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.008 4.266 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.980 2.103 -1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.439 2.747 -2.942 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.060 2.286 -2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.974 3.786 -2.570 1.00 0.00 H new ATOM 651 N ILE A 43 7.955 0.675 0.244 1.00 0.00 N ATOM 652 CA ILE A 43 8.362 -0.223 1.317 1.00 0.00 C ATOM 653 C ILE A 43 9.662 0.245 1.962 1.00 0.00 C ATOM 654 O ILE A 43 10.752 -0.142 1.538 1.00 0.00 O ATOM 655 CB ILE A 43 8.545 -1.664 0.806 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.239 -2.185 0.204 1.00 0.00 C ATOM 657 CG2 ILE A 43 9.012 -2.571 1.935 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.083 -2.192 1.180 1.00 0.00 C ATOM 0 H ILE A 43 7.701 0.206 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 43 7.565 -0.208 2.060 1.00 0.00 H new ATOM 0 HB ILE A 43 9.307 -1.663 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.974 -1.570 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.398 -3.198 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.137 -3.586 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.964 -2.208 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.270 -2.569 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.190 -2.573 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.327 -2.831 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.897 -1.177 1.531 1.00 0.00 H new ATOM 670 N ILE A 44 9.540 1.077 2.991 1.00 0.00 N ATOM 671 CA ILE A 44 10.705 1.595 3.697 1.00 0.00 C ATOM 672 C ILE A 44 11.407 0.492 4.482 1.00 0.00 C ATOM 673 O ILE A 44 12.534 0.113 4.166 1.00 0.00 O ATOM 674 CB ILE A 44 10.319 2.731 4.662 1.00 0.00 C ATOM 675 CG1 ILE A 44 9.825 3.950 3.879 1.00 0.00 C ATOM 676 CG2 ILE A 44 11.503 3.104 5.541 1.00 0.00 C ATOM 677 CD1 ILE A 44 9.520 5.146 4.752 1.00 0.00 C ATOM 0 H ILE A 44 8.646 1.407 3.354 1.00 0.00 H new ATOM 0 HA ILE A 44 11.384 1.988 2.940 1.00 0.00 H new ATOM 0 HB ILE A 44 9.510 2.383 5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.580 4.230 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.927 3.676 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.215 3.908 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.813 2.235 6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.331 3.436 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.175 5.972 4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.743 4.884 5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.422 5.446 5.286 1.00 0.00 H new ATOM 689 N ARG A 45 10.731 -0.019 5.506 1.00 0.00 N ATOM 690 CA ARG A 45 11.290 -1.079 6.337 1.00 0.00 C ATOM 691 C ARG A 45 10.182 -1.877 7.018 1.00 0.00 C ATOM 692 O ARG A 45 9.311 -1.310 7.677 1.00 0.00 O ATOM 693 CB ARG A 45 12.230 -0.489 7.390 1.00 0.00 C ATOM 694 CG ARG A 45 11.506 0.106 8.587 1.00 0.00 C ATOM 695 CD ARG A 45 12.417 1.024 9.388 1.00 0.00 C ATOM 696 NE ARG A 45 13.298 0.277 10.281 1.00 0.00 N ATOM 697 CZ ARG A 45 14.138 0.852 11.135 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.209 2.174 11.211 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.908 0.105 11.915 1.00 0.00 N ATOM 0 H ARG A 45 9.796 0.284 5.780 1.00 0.00 H new ATOM 0 HA ARG A 45 11.855 -1.752 5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.908 -1.268 7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.843 0.284 6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.634 0.664 8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.140 -0.696 9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.018 1.625 8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.811 1.716 9.972 1.00 0.00 H new ATOM 0 HE ARG A 45 13.267 -0.742 10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.618 2.752 10.613 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.855 2.613 11.867 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.856 -0.912 11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.552 0.548 12.570 1.00 0.00 H new ATOM 713 N MET A 46 10.222 -3.195 6.854 1.00 0.00 N ATOM 714 CA MET A 46 9.222 -4.070 7.453 1.00 0.00 C ATOM 715 C MET A 46 9.383 -4.121 8.969 1.00 0.00 C ATOM 716 O MET A 46 10.373 -4.644 9.481 1.00 0.00 O ATOM 717 CB MET A 46 9.331 -5.480 6.870 1.00 0.00 C ATOM 718 CG MET A 46 8.686 -5.623 5.500 1.00 0.00 C ATOM 719 SD MET A 46 8.093 -7.295 5.183 1.00 0.00 S ATOM 720 CE MET A 46 6.833 -7.453 6.445 1.00 0.00 C ATOM 0 H MET A 46 10.936 -3.680 6.311 1.00 0.00 H new ATOM 0 HA MET A 46 8.237 -3.665 7.223 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.384 -5.754 6.797 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.865 -6.186 7.558 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.853 -4.925 5.420 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.408 -5.346 4.732 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.928 -8.422 6.934 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.956 -6.660 7.183 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.847 -7.372 5.987 1.00 0.00 H new ATOM 730 N VAL A 47 8.403 -3.575 9.683 1.00 0.00 N ATOM 731 CA VAL A 47 8.436 -3.559 11.140 1.00 0.00 C ATOM 732 C VAL A 47 8.144 -4.942 11.712 1.00 0.00 C ATOM 733 O VAL A 47 8.998 -5.554 12.354 1.00 0.00 O ATOM 734 CB VAL A 47 7.420 -2.553 11.714 1.00 0.00 C ATOM 735 CG1 VAL A 47 7.657 -2.344 13.202 1.00 0.00 C ATOM 736 CG2 VAL A 47 7.496 -1.232 10.963 1.00 0.00 C ATOM 0 H VAL A 47 7.576 -3.138 9.275 1.00 0.00 H new ATOM 0 HA VAL A 47 9.441 -3.254 11.430 1.00 0.00 H new ATOM 0 HB VAL A 47 6.418 -2.962 11.584 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.930 -1.630 13.590 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.547 -3.294 13.725 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.664 -1.958 13.359 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.772 -0.533 11.382 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.499 -0.816 11.059 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.272 -1.399 9.909 1.00 0.00 H new ATOM 746 N THR A 48 6.931 -5.430 11.474 1.00 0.00 N ATOM 747 CA THR A 48 6.525 -6.741 11.965 1.00 0.00 C ATOM 748 C THR A 48 5.899 -7.575 10.853 1.00 0.00 C ATOM 749 O THR A 48 5.835 -7.144 9.702 1.00 0.00 O ATOM 750 CB THR A 48 5.522 -6.619 13.128 1.00 0.00 C ATOM 751 OG1 THR A 48 4.232 -6.254 12.625 1.00 0.00 O ATOM 752 CG2 THR A 48 5.990 -5.584 14.140 1.00 0.00 C ATOM 0 H THR A 48 6.212 -4.937 10.944 1.00 0.00 H new ATOM 0 HA THR A 48 7.427 -7.238 12.323 1.00 0.00 H new ATOM 0 HB THR A 48 5.457 -7.586 13.626 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.642 -6.025 13.373 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.266 -5.515 14.952 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.959 -5.880 14.542 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.081 -4.613 13.652 1.00 0.00 H new ATOM 760 N ASP A 49 5.436 -8.769 11.205 1.00 0.00 N ATOM 761 CA ASP A 49 4.812 -9.664 10.237 1.00 0.00 C ATOM 762 C ASP A 49 3.425 -9.161 9.848 1.00 0.00 C ATOM 763 O ASP A 49 2.719 -9.797 9.065 1.00 0.00 O ATOM 764 CB ASP A 49 4.714 -11.079 10.807 1.00 0.00 C ATOM 765 CG ASP A 49 6.041 -11.582 11.342 1.00 0.00 C ATOM 766 OD1 ASP A 49 7.090 -11.187 10.791 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.030 -12.369 12.311 1.00 0.00 O ATOM 0 H ASP A 49 5.481 -9.140 12.154 1.00 0.00 H new ATOM 0 HA ASP A 49 5.436 -9.684 9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.974 -11.095 11.607 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.359 -11.756 10.031 1.00 0.00 H new ATOM 772 N THR A 50 3.040 -8.015 10.401 1.00 0.00 N ATOM 773 CA THR A 50 1.737 -7.428 10.114 1.00 0.00 C ATOM 774 C THR A 50 1.867 -5.953 9.752 1.00 0.00 C ATOM 775 O THR A 50 1.081 -5.425 8.964 1.00 0.00 O ATOM 776 CB THR A 50 0.782 -7.568 11.314 1.00 0.00 C ATOM 777 OG1 THR A 50 1.450 -7.184 12.521 1.00 0.00 O ATOM 778 CG2 THR A 50 0.278 -8.998 11.440 1.00 0.00 C ATOM 0 H THR A 50 3.612 -7.475 11.050 1.00 0.00 H new ATOM 0 HA THR A 50 1.324 -7.973 9.265 1.00 0.00 H new ATOM 0 HB THR A 50 -0.072 -6.911 11.148 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.307 -6.763 12.301 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.395 -9.073 12.294 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.256 -9.277 10.532 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.124 -9.670 11.584 1.00 0.00 H new ATOM 786 N LEU A 51 2.863 -5.291 10.331 1.00 0.00 N ATOM 787 CA LEU A 51 3.096 -3.876 10.068 1.00 0.00 C ATOM 788 C LEU A 51 4.273 -3.685 9.117 1.00 0.00 C ATOM 789 O LEU A 51 5.161 -4.534 9.033 1.00 0.00 O ATOM 790 CB LEU A 51 3.358 -3.130 11.378 1.00 0.00 C ATOM 791 CG LEU A 51 2.277 -3.259 12.452 1.00 0.00 C ATOM 792 CD1 LEU A 51 2.760 -2.670 13.768 1.00 0.00 C ATOM 793 CD2 LEU A 51 0.993 -2.580 12.000 1.00 0.00 C ATOM 0 H LEU A 51 3.522 -5.712 10.986 1.00 0.00 H new ATOM 0 HA LEU A 51 2.202 -3.468 9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.300 -3.487 11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.491 -2.072 11.150 1.00 0.00 H new ATOM 0 HG LEU A 51 2.069 -4.318 12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.978 -2.771 14.520 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.652 -3.201 14.099 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.997 -1.615 13.629 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.235 -2.682 12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.185 -1.523 11.817 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.637 -3.048 11.082 1.00 0.00 H new ATOM 805 N VAL A 52 4.275 -2.564 8.403 1.00 0.00 N ATOM 806 CA VAL A 52 5.344 -2.259 7.460 1.00 0.00 C ATOM 807 C VAL A 52 5.495 -0.755 7.266 1.00 0.00 C ATOM 808 O VAL A 52 4.509 -0.041 7.086 1.00 0.00 O ATOM 809 CB VAL A 52 5.090 -2.919 6.091 1.00 0.00 C ATOM 810 CG1 VAL A 52 6.083 -2.407 5.059 1.00 0.00 C ATOM 811 CG2 VAL A 52 5.164 -4.434 6.208 1.00 0.00 C ATOM 0 H VAL A 52 3.547 -1.851 8.460 1.00 0.00 H new ATOM 0 HA VAL A 52 6.264 -2.661 7.885 1.00 0.00 H new ATOM 0 HB VAL A 52 4.087 -2.652 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.888 -2.884 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.976 -1.327 4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.097 -2.642 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.982 -4.884 5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.153 -4.724 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.410 -4.782 6.914 1.00 0.00 H new ATOM 821 N GLU A 53 6.736 -0.280 7.305 1.00 0.00 N ATOM 822 CA GLU A 53 7.015 1.141 7.134 1.00 0.00 C ATOM 823 C GLU A 53 7.099 1.505 5.654 1.00 0.00 C ATOM 824 O GLU A 53 7.898 0.938 4.908 1.00 0.00 O ATOM 825 CB GLU A 53 8.321 1.515 7.838 1.00 0.00 C ATOM 826 CG GLU A 53 8.351 2.947 8.345 1.00 0.00 C ATOM 827 CD GLU A 53 9.502 3.205 9.298 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.580 2.515 10.336 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.325 4.097 9.005 1.00 0.00 O ATOM 0 H GLU A 53 7.563 -0.858 7.453 1.00 0.00 H new ATOM 0 HA GLU A 53 6.195 1.703 7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.478 0.838 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.152 1.365 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.427 3.627 7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.410 3.170 8.849 1.00 0.00 H new ATOM 836 N VAL A 54 6.269 2.455 5.236 1.00 0.00 N ATOM 837 CA VAL A 54 6.249 2.896 3.847 1.00 0.00 C ATOM 838 C VAL A 54 6.411 4.409 3.748 1.00 0.00 C ATOM 839 O VAL A 54 6.188 5.133 4.719 1.00 0.00 O ATOM 840 CB VAL A 54 4.941 2.484 3.146 1.00 0.00 C ATOM 841 CG1 VAL A 54 5.001 1.026 2.718 1.00 0.00 C ATOM 842 CG2 VAL A 54 3.748 2.733 4.056 1.00 0.00 C ATOM 0 H VAL A 54 5.601 2.934 5.840 1.00 0.00 H new ATOM 0 HA VAL A 54 7.088 2.410 3.349 1.00 0.00 H new ATOM 0 HB VAL A 54 4.820 3.095 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.068 0.753 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.832 0.883 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.146 0.395 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.832 2.436 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.859 2.149 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.697 3.793 4.307 1.00 0.00 H new ATOM 852 N LEU A 55 6.801 4.880 2.568 1.00 0.00 N ATOM 853 CA LEU A 55 6.993 6.308 2.341 1.00 0.00 C ATOM 854 C LEU A 55 6.067 6.814 1.239 1.00 0.00 C ATOM 855 O LEU A 55 6.112 6.332 0.106 1.00 0.00 O ATOM 856 CB LEU A 55 8.449 6.595 1.971 1.00 0.00 C ATOM 857 CG LEU A 55 8.700 7.874 1.172 1.00 0.00 C ATOM 858 CD1 LEU A 55 8.310 9.097 1.988 1.00 0.00 C ATOM 859 CD2 LEU A 55 10.157 7.959 0.744 1.00 0.00 C ATOM 0 H LEU A 55 6.990 4.294 1.755 1.00 0.00 H new ATOM 0 HA LEU A 55 6.749 6.833 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.033 6.644 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.830 5.751 1.396 1.00 0.00 H new ATOM 0 HG LEU A 55 8.081 7.847 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.495 9.998 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.252 9.041 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.903 9.129 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.317 8.876 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.796 7.963 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.404 7.099 0.121 1.00 0.00 H new ATOM 871 N LEU A 56 5.230 7.788 1.578 1.00 0.00 N ATOM 872 CA LEU A 56 4.294 8.361 0.616 1.00 0.00 C ATOM 873 C LEU A 56 5.004 9.334 -0.320 1.00 0.00 C ATOM 874 O LEU A 56 4.546 10.458 -0.526 1.00 0.00 O ATOM 875 CB LEU A 56 3.156 9.076 1.346 1.00 0.00 C ATOM 876 CG LEU A 56 2.484 8.291 2.473 1.00 0.00 C ATOM 877 CD1 LEU A 56 1.411 9.134 3.145 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.890 6.995 1.940 1.00 0.00 C ATOM 0 H LEU A 56 5.180 8.198 2.511 1.00 0.00 H new ATOM 0 HA LEU A 56 3.880 7.548 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.545 10.006 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.395 9.346 0.614 1.00 0.00 H new ATOM 0 HG LEU A 56 3.241 8.042 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.944 8.559 3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.863 10.034 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.656 9.415 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.416 6.449 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.147 7.223 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.681 6.384 1.506 1.00 0.00 H new ATOM 890 N TYR A 57 6.122 8.894 -0.886 1.00 0.00 N ATOM 891 CA TYR A 57 6.894 9.726 -1.801 1.00 0.00 C ATOM 892 C TYR A 57 5.976 10.593 -2.656 1.00 0.00 C ATOM 893 O TYR A 57 6.290 11.746 -2.951 1.00 0.00 O ATOM 894 CB TYR A 57 7.772 8.853 -2.700 1.00 0.00 C ATOM 895 CG TYR A 57 6.992 7.846 -3.514 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.467 8.184 -4.755 1.00 0.00 C ATOM 897 CD2 TYR A 57 6.780 6.556 -3.043 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.753 7.267 -5.503 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.069 5.632 -3.784 1.00 0.00 C ATOM 900 CZ TYR A 57 5.557 5.993 -5.013 1.00 0.00 C ATOM 901 OH TYR A 57 4.847 5.076 -5.755 1.00 0.00 O ATOM 0 H TYR A 57 6.514 7.966 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 57 7.531 10.380 -1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.337 9.495 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.498 8.324 -2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.619 9.181 -5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.178 6.271 -2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.351 7.547 -6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.915 4.633 -3.403 1.00 0.00 H new ATOM 0 HH TYR A 57 4.801 4.227 -5.268 1.00 0.00 H new ATOM 911 N ASP A 58 4.839 10.030 -3.050 1.00 0.00 N ATOM 912 CA ASP A 58 3.872 10.752 -3.870 1.00 0.00 C ATOM 913 C ASP A 58 3.567 12.121 -3.271 1.00 0.00 C ATOM 914 O ASP A 58 3.611 13.137 -3.965 1.00 0.00 O ATOM 915 CB ASP A 58 2.582 9.942 -4.006 1.00 0.00 C ATOM 916 CG ASP A 58 2.162 9.298 -2.699 1.00 0.00 C ATOM 917 OD1 ASP A 58 3.036 8.738 -2.005 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.959 9.355 -2.370 1.00 0.00 O ATOM 0 H ASP A 58 4.564 9.076 -2.815 1.00 0.00 H new ATOM 0 HA ASP A 58 4.307 10.897 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.783 10.593 -4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.720 9.168 -4.761 1.00 0.00 H new ATOM 923 N VAL A 59 3.257 12.141 -1.979 1.00 0.00 N ATOM 924 CA VAL A 59 2.944 13.386 -1.287 1.00 0.00 C ATOM 925 C VAL A 59 4.149 13.898 -0.506 1.00 0.00 C ATOM 926 O VAL A 59 4.493 15.077 -0.578 1.00 0.00 O ATOM 927 CB VAL A 59 1.758 13.208 -0.321 1.00 0.00 C ATOM 928 CG1 VAL A 59 0.501 12.816 -1.084 1.00 0.00 C ATOM 929 CG2 VAL A 59 2.089 12.173 0.744 1.00 0.00 C ATOM 0 H VAL A 59 3.216 11.309 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 59 2.674 14.114 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 59 1.571 14.160 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.326 12.695 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.255 13.595 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.672 11.877 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.240 12.060 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.304 11.217 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.961 12.500 1.311 1.00 0.00 H new ATOM 939 N GLY A 60 4.787 13.002 0.241 1.00 0.00 N ATOM 940 CA GLY A 60 5.948 13.382 1.025 1.00 0.00 C ATOM 941 C GLY A 60 5.716 13.232 2.515 1.00 0.00 C ATOM 942 O GLY A 60 6.008 14.141 3.292 1.00 0.00 O ATOM 0 H GLY A 60 4.521 12.020 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.799 12.768 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.209 14.417 0.804 1.00 0.00 H new ATOM 946 N VAL A 61 5.186 12.081 2.917 1.00 0.00 N ATOM 947 CA VAL A 61 4.914 11.814 4.324 1.00 0.00 C ATOM 948 C VAL A 61 5.361 10.409 4.714 1.00 0.00 C ATOM 949 O VAL A 61 4.954 9.425 4.098 1.00 0.00 O ATOM 950 CB VAL A 61 3.416 11.972 4.646 1.00 0.00 C ATOM 951 CG1 VAL A 61 3.094 11.366 6.003 1.00 0.00 C ATOM 952 CG2 VAL A 61 3.013 13.438 4.598 1.00 0.00 C ATOM 0 H VAL A 61 4.936 11.318 2.287 1.00 0.00 H new ATOM 0 HA VAL A 61 5.481 12.545 4.900 1.00 0.00 H new ATOM 0 HB VAL A 61 2.841 11.436 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.031 11.487 6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.344 10.305 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.676 11.871 6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.952 13.531 4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.594 13.999 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.205 13.836 3.601 1.00 0.00 H new ATOM 962 N GLU A 62 6.200 10.325 5.741 1.00 0.00 N ATOM 963 CA GLU A 62 6.702 9.040 6.213 1.00 0.00 C ATOM 964 C GLU A 62 5.777 8.450 7.273 1.00 0.00 C ATOM 965 O GLU A 62 5.540 9.060 8.316 1.00 0.00 O ATOM 966 CB GLU A 62 8.114 9.197 6.783 1.00 0.00 C ATOM 967 CG GLU A 62 9.096 9.829 5.811 1.00 0.00 C ATOM 968 CD GLU A 62 10.318 10.399 6.504 1.00 0.00 C ATOM 969 OE1 GLU A 62 10.147 11.095 7.528 1.00 0.00 O ATOM 970 OE2 GLU A 62 11.443 10.151 6.024 1.00 0.00 O ATOM 0 H GLU A 62 6.546 11.131 6.262 1.00 0.00 H new ATOM 0 HA GLU A 62 6.734 8.358 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.067 9.806 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.488 8.217 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.412 9.082 5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.594 10.622 5.257 1.00 0.00 H new ATOM 977 N LEU A 63 5.256 7.259 6.998 1.00 0.00 N ATOM 978 CA LEU A 63 4.355 6.585 7.926 1.00 0.00 C ATOM 979 C LEU A 63 4.456 5.070 7.780 1.00 0.00 C ATOM 980 O LEU A 63 5.166 4.566 6.910 1.00 0.00 O ATOM 981 CB LEU A 63 2.913 7.036 7.687 1.00 0.00 C ATOM 982 CG LEU A 63 2.089 6.172 6.732 1.00 0.00 C ATOM 983 CD1 LEU A 63 0.672 6.711 6.613 1.00 0.00 C ATOM 984 CD2 LEU A 63 2.753 6.107 5.365 1.00 0.00 C ATOM 0 H LEU A 63 5.442 6.740 6.140 1.00 0.00 H new ATOM 0 HA LEU A 63 4.650 6.855 8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.400 7.070 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.932 8.055 7.299 1.00 0.00 H new ATOM 0 HG LEU A 63 2.039 5.162 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.100 6.084 5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.197 6.705 7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.702 7.731 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.153 5.488 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.834 7.112 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.748 5.674 5.464 1.00 0.00 H new ATOM 996 N VAL A 64 3.741 4.349 8.638 1.00 0.00 N ATOM 997 CA VAL A 64 3.747 2.891 8.602 1.00 0.00 C ATOM 998 C VAL A 64 2.333 2.332 8.714 1.00 0.00 C ATOM 999 O VAL A 64 1.598 2.656 9.647 1.00 0.00 O ATOM 1000 CB VAL A 64 4.610 2.306 9.737 1.00 0.00 C ATOM 1001 CG1 VAL A 64 4.193 2.888 11.079 1.00 0.00 C ATOM 1002 CG2 VAL A 64 4.512 0.788 9.751 1.00 0.00 C ATOM 0 H VAL A 64 3.150 4.751 9.366 1.00 0.00 H new ATOM 0 HA VAL A 64 4.174 2.600 7.642 1.00 0.00 H new ATOM 0 HB VAL A 64 5.650 2.579 9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.813 2.463 11.868 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.319 3.971 11.061 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.147 2.648 11.271 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.127 0.391 10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.475 0.492 9.906 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.864 0.392 8.798 1.00 0.00 H new ATOM 1012 N VAL A 65 1.958 1.490 7.756 1.00 0.00 N ATOM 1013 CA VAL A 65 0.632 0.884 7.747 1.00 0.00 C ATOM 1014 C VAL A 65 0.721 -0.634 7.847 1.00 0.00 C ATOM 1015 O VAL A 65 1.808 -1.208 7.781 1.00 0.00 O ATOM 1016 CB VAL A 65 -0.148 1.259 6.473 1.00 0.00 C ATOM 1017 CG1 VAL A 65 -0.051 2.754 6.208 1.00 0.00 C ATOM 1018 CG2 VAL A 65 0.364 0.464 5.282 1.00 0.00 C ATOM 0 H VAL A 65 2.554 1.212 6.976 1.00 0.00 H new ATOM 0 HA VAL A 65 0.101 1.272 8.616 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.198 1.008 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.608 3.000 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.470 3.301 7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.994 3.033 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.198 0.742 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.421 0.681 5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.237 -0.601 5.474 1.00 0.00 H new ATOM 1028 N ASN A 66 -0.430 -1.280 8.005 1.00 0.00 N ATOM 1029 CA ASN A 66 -0.482 -2.734 8.113 1.00 0.00 C ATOM 1030 C ASN A 66 -0.513 -3.382 6.732 1.00 0.00 C ATOM 1031 O ASN A 66 -1.230 -2.930 5.839 1.00 0.00 O ATOM 1032 CB ASN A 66 -1.711 -3.162 8.918 1.00 0.00 C ATOM 1033 CG ASN A 66 -1.563 -4.554 9.501 1.00 0.00 C ATOM 1034 OD1 ASN A 66 -0.740 -4.784 10.387 1.00 0.00 O ATOM 1035 ND2 ASN A 66 -2.363 -5.491 9.005 1.00 0.00 N ATOM 0 H ASN A 66 -1.339 -0.820 8.061 1.00 0.00 H new ATOM 0 HA ASN A 66 0.418 -3.068 8.630 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.880 -2.449 9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.591 -3.131 8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.310 -6.446 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.031 -5.255 8.271 1.00 0.00 H new ATOM 1042 N VAL A 67 0.269 -4.443 6.565 1.00 0.00 N ATOM 1043 CA VAL A 67 0.330 -5.155 5.294 1.00 0.00 C ATOM 1044 C VAL A 67 -1.068 -5.423 4.747 1.00 0.00 C ATOM 1045 O VAL A 67 -1.259 -5.546 3.537 1.00 0.00 O ATOM 1046 CB VAL A 67 1.079 -6.493 5.436 1.00 0.00 C ATOM 1047 CG1 VAL A 67 2.563 -6.253 5.670 1.00 0.00 C ATOM 1048 CG2 VAL A 67 0.480 -7.322 6.562 1.00 0.00 C ATOM 0 H VAL A 67 0.869 -4.829 7.294 1.00 0.00 H new ATOM 0 HA VAL A 67 0.873 -4.515 4.598 1.00 0.00 H new ATOM 0 HB VAL A 67 0.969 -7.051 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.075 -7.210 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.980 -5.703 4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.698 -5.674 6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.022 -8.264 6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.558 -6.772 7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.569 -7.525 6.346 1.00 0.00 H new ATOM 1058 N ASP A 68 -2.042 -5.512 5.645 1.00 0.00 N ATOM 1059 CA ASP A 68 -3.424 -5.764 5.253 1.00 0.00 C ATOM 1060 C ASP A 68 -3.955 -4.633 4.378 1.00 0.00 C ATOM 1061 O ASP A 68 -4.709 -4.867 3.433 1.00 0.00 O ATOM 1062 CB ASP A 68 -4.307 -5.925 6.491 1.00 0.00 C ATOM 1063 CG ASP A 68 -5.696 -6.426 6.150 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -5.829 -7.188 5.169 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -6.652 -6.057 6.864 1.00 0.00 O ATOM 0 H ASP A 68 -1.900 -5.413 6.650 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.449 -6.689 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.833 -6.620 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.385 -4.967 7.005 1.00 0.00 H new ATOM 1070 N CYS A 69 -3.558 -3.407 4.700 1.00 0.00 N ATOM 1071 CA CYS A 69 -3.995 -2.238 3.944 1.00 0.00 C ATOM 1072 C CYS A 69 -3.170 -2.073 2.672 1.00 0.00 C ATOM 1073 O CYS A 69 -3.625 -1.473 1.697 1.00 0.00 O ATOM 1074 CB CYS A 69 -3.886 -0.978 4.804 1.00 0.00 C ATOM 1075 SG CYS A 69 -5.274 -0.736 5.938 1.00 0.00 S ATOM 0 H CYS A 69 -2.934 -3.196 5.479 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.037 -2.388 3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.963 -1.024 5.381 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.810 -0.110 4.149 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.090 0.353 6.623 1.00 0.00 H new ATOM 1081 N LEU A 70 -1.954 -2.607 2.689 1.00 0.00 N ATOM 1082 CA LEU A 70 -1.063 -2.518 1.537 1.00 0.00 C ATOM 1083 C LEU A 70 -1.606 -3.329 0.364 1.00 0.00 C ATOM 1084 O LEU A 70 -2.284 -4.339 0.556 1.00 0.00 O ATOM 1085 CB LEU A 70 0.336 -3.012 1.909 1.00 0.00 C ATOM 1086 CG LEU A 70 1.125 -2.128 2.874 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.471 -2.758 3.196 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.312 -0.735 2.290 1.00 0.00 C ATOM 0 H LEU A 70 -1.562 -3.106 3.488 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.004 -1.472 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.244 -4.005 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.916 -3.123 0.993 1.00 0.00 H new ATOM 0 HG LEU A 70 0.558 -2.039 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.019 -2.114 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.315 -3.733 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.045 -2.879 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.876 -0.119 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.857 -0.805 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.337 -0.281 2.112 1.00 0.00 H new ATOM 1100 N ARG A 71 -1.302 -2.881 -0.849 1.00 0.00 N ATOM 1101 CA ARG A 71 -1.758 -3.566 -2.053 1.00 0.00 C ATOM 1102 C ARG A 71 -0.661 -3.593 -3.113 1.00 0.00 C ATOM 1103 O ARG A 71 0.032 -2.599 -3.330 1.00 0.00 O ATOM 1104 CB ARG A 71 -3.006 -2.881 -2.613 1.00 0.00 C ATOM 1105 CG ARG A 71 -4.250 -3.094 -1.766 1.00 0.00 C ATOM 1106 CD ARG A 71 -4.675 -4.555 -1.758 1.00 0.00 C ATOM 1107 NE ARG A 71 -6.078 -4.715 -1.386 1.00 0.00 N ATOM 1108 CZ ARG A 71 -6.505 -4.751 -0.128 1.00 0.00 C ATOM 1109 NH1 ARG A 71 -5.641 -4.638 0.872 1.00 0.00 N ATOM 1110 NH2 ARG A 71 -7.797 -4.899 0.131 1.00 0.00 N ATOM 0 H ARG A 71 -0.742 -2.047 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.004 -4.593 -1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.815 -1.811 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.194 -3.254 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.057 -2.764 -0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.064 -2.479 -2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.511 -4.986 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.049 -5.111 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.768 -4.804 -2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.647 -4.523 0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.971 -4.666 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.464 -4.985 -0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.124 -4.927 1.097 1.00 0.00 H new ATOM 1124 N LYS A 72 -0.508 -4.738 -3.769 1.00 0.00 N ATOM 1125 CA LYS A 72 0.504 -4.896 -4.807 1.00 0.00 C ATOM 1126 C LYS A 72 0.223 -3.971 -5.987 1.00 0.00 C ATOM 1127 O LYS A 72 -0.890 -3.942 -6.515 1.00 0.00 O ATOM 1128 CB LYS A 72 0.552 -6.349 -5.285 1.00 0.00 C ATOM 1129 CG LYS A 72 1.374 -7.257 -4.387 1.00 0.00 C ATOM 1130 CD LYS A 72 0.978 -8.715 -4.556 1.00 0.00 C ATOM 1131 CE LYS A 72 1.566 -9.309 -5.827 1.00 0.00 C ATOM 1132 NZ LYS A 72 0.869 -10.563 -6.226 1.00 0.00 N ATOM 0 H LYS A 72 -1.072 -5.571 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 72 1.470 -4.628 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.465 -6.736 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.965 -6.378 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.433 -7.137 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.239 -6.961 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.319 -9.288 -3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.109 -8.797 -4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.495 -8.581 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.626 -9.515 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.298 -10.937 -7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.958 -11.267 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.137 -10.362 -6.395 1.00 0.00 H new ATOM 1146 N LEU A 73 1.237 -3.217 -6.397 1.00 0.00 N ATOM 1147 CA LEU A 73 1.099 -2.292 -7.516 1.00 0.00 C ATOM 1148 C LEU A 73 1.345 -3.002 -8.843 1.00 0.00 C ATOM 1149 O LEU A 73 2.482 -3.103 -9.302 1.00 0.00 O ATOM 1150 CB LEU A 73 2.075 -1.124 -7.361 1.00 0.00 C ATOM 1151 CG LEU A 73 1.626 0.209 -7.960 1.00 0.00 C ATOM 1152 CD1 LEU A 73 0.783 0.987 -6.961 1.00 0.00 C ATOM 1153 CD2 LEU A 73 2.831 1.030 -8.397 1.00 0.00 C ATOM 0 H LEU A 73 2.164 -3.228 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 73 0.079 -1.908 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.267 -0.976 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.023 -1.405 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 73 1.014 0.003 -8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.473 1.933 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.099 0.404 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.370 1.183 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.493 1.975 -8.821 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.469 1.226 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.395 0.477 -9.148 1.00 0.00 H new ATOM 1165 N GLU A 74 0.271 -3.490 -9.456 1.00 0.00 N ATOM 1166 CA GLU A 74 0.371 -4.190 -10.731 1.00 0.00 C ATOM 1167 C GLU A 74 0.899 -3.261 -11.821 1.00 0.00 C ATOM 1168 O GLU A 74 1.214 -2.100 -11.562 1.00 0.00 O ATOM 1169 CB GLU A 74 -0.992 -4.750 -11.140 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.099 -3.709 -11.154 1.00 0.00 C ATOM 1171 CD GLU A 74 -3.440 -4.289 -11.558 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -3.720 -4.347 -12.774 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -4.211 -4.684 -10.658 1.00 0.00 O ATOM 0 H GLU A 74 -0.678 -3.413 -9.090 1.00 0.00 H new ATOM 0 HA GLU A 74 1.072 -5.015 -10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.910 -5.194 -12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.267 -5.551 -10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.184 -3.262 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.831 -2.908 -11.843 1.00 0.00 H new ATOM 1180 N GLU A 75 0.993 -3.782 -13.040 1.00 0.00 N ATOM 1181 CA GLU A 75 1.483 -3.000 -14.169 1.00 0.00 C ATOM 1182 C GLU A 75 0.354 -2.192 -14.803 1.00 0.00 C ATOM 1183 O GLU A 75 0.451 -0.973 -14.941 1.00 0.00 O ATOM 1184 CB GLU A 75 2.118 -3.917 -15.216 1.00 0.00 C ATOM 1185 CG GLU A 75 2.795 -3.167 -16.352 1.00 0.00 C ATOM 1186 CD GLU A 75 2.995 -4.030 -17.582 1.00 0.00 C ATOM 1187 OE1 GLU A 75 2.008 -4.633 -18.052 1.00 0.00 O ATOM 1188 OE2 GLU A 75 4.140 -4.102 -18.076 1.00 0.00 O ATOM 0 H GLU A 75 0.736 -4.742 -13.271 1.00 0.00 H new ATOM 0 HA GLU A 75 2.238 -2.307 -13.797 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.851 -4.559 -14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.349 -4.569 -15.630 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.194 -2.297 -16.617 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.762 -2.796 -16.012 1.00 0.00 H new ATOM 1195 N ASN A 76 -0.716 -2.880 -15.186 1.00 0.00 N ATOM 1196 CA ASN A 76 -1.863 -2.228 -15.806 1.00 0.00 C ATOM 1197 C ASN A 76 -2.245 -0.961 -15.046 1.00 0.00 C ATOM 1198 O ASN A 76 -2.252 0.135 -15.609 1.00 0.00 O ATOM 1199 CB ASN A 76 -3.056 -3.185 -15.854 1.00 0.00 C ATOM 1200 CG ASN A 76 -4.382 -2.453 -15.939 1.00 0.00 C ATOM 1201 OD1 ASN A 76 -4.871 -1.916 -14.946 1.00 0.00 O ATOM 1202 ND2 ASN A 76 -4.969 -2.430 -17.130 1.00 0.00 N ATOM 0 H ASN A 76 -0.813 -3.890 -15.078 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.586 -1.952 -16.823 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.953 -3.846 -16.714 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.049 -3.815 -14.965 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.863 -1.953 -17.249 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.526 -2.889 -17.926 1.00 0.00 H new ATOM 1209 N LEU A 77 -2.560 -1.118 -13.765 1.00 0.00 N ATOM 1210 CA LEU A 77 -2.941 0.013 -12.927 1.00 0.00 C ATOM 1211 C LEU A 77 -1.852 1.082 -12.925 1.00 0.00 C ATOM 1212 O LEU A 77 -2.139 2.276 -12.847 1.00 0.00 O ATOM 1213 CB LEU A 77 -3.214 -0.456 -11.497 1.00 0.00 C ATOM 1214 CG LEU A 77 -4.489 -1.275 -11.290 1.00 0.00 C ATOM 1215 CD1 LEU A 77 -4.619 -1.703 -9.837 1.00 0.00 C ATOM 1216 CD2 LEU A 77 -5.710 -0.479 -11.725 1.00 0.00 C ATOM 0 H LEU A 77 -2.559 -2.018 -13.284 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.851 0.449 -13.340 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.365 -1.053 -11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.261 0.421 -10.851 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.426 -2.172 -11.907 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.532 -2.285 -9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.759 -2.312 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.659 -0.820 -9.200 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.608 -1.077 -11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.777 0.435 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.621 -0.224 -12.781 1.00 0.00 H new ATOM 1228 N LYS A 78 -0.601 0.644 -13.013 1.00 0.00 N ATOM 1229 CA LYS A 78 0.532 1.561 -13.025 1.00 0.00 C ATOM 1230 C LYS A 78 0.459 2.501 -14.225 1.00 0.00 C ATOM 1231 O LYS A 78 0.679 3.706 -14.098 1.00 0.00 O ATOM 1232 CB LYS A 78 1.847 0.779 -13.056 1.00 0.00 C ATOM 1233 CG LYS A 78 3.061 1.616 -12.690 1.00 0.00 C ATOM 1234 CD LYS A 78 4.353 0.943 -13.121 1.00 0.00 C ATOM 1235 CE LYS A 78 4.868 -0.011 -12.054 1.00 0.00 C ATOM 1236 NZ LYS A 78 5.513 0.716 -10.925 1.00 0.00 N ATOM 0 H LYS A 78 -0.346 -0.342 -13.077 1.00 0.00 H new ATOM 0 HA LYS A 78 0.493 2.159 -12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.776 -0.063 -12.367 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.990 0.364 -14.054 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.985 2.595 -13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.078 1.782 -11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.188 0.397 -14.050 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.108 1.701 -13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.041 -0.612 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.585 -0.701 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.365 0.187 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.533 0.806 -11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.092 1.663 -10.836 1.00 0.00 H new ATOM 1250 N THR A 79 0.146 1.942 -15.390 1.00 0.00 N ATOM 1251 CA THR A 79 0.043 2.730 -16.612 1.00 0.00 C ATOM 1252 C THR A 79 -1.236 2.400 -17.373 1.00 0.00 C ATOM 1253 O THR A 79 -1.414 1.279 -17.849 1.00 0.00 O ATOM 1254 CB THR A 79 1.252 2.494 -17.536 1.00 0.00 C ATOM 1255 OG1 THR A 79 1.342 1.108 -17.882 1.00 0.00 O ATOM 1256 CG2 THR A 79 2.542 2.939 -16.863 1.00 0.00 C ATOM 0 H THR A 79 -0.040 0.947 -15.513 1.00 0.00 H new ATOM 0 HA THR A 79 0.024 3.778 -16.312 1.00 0.00 H new ATOM 0 HB THR A 79 1.110 3.085 -18.441 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.444 0.716 -17.898 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.382 2.763 -17.534 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.482 4.002 -16.628 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.687 2.372 -15.944 1.00 0.00 H new ATOM 1264 N MET A 80 -2.124 3.382 -17.485 1.00 0.00 N ATOM 1265 CA MET A 80 -3.386 3.195 -18.191 1.00 0.00 C ATOM 1266 C MET A 80 -3.182 3.278 -19.700 1.00 0.00 C ATOM 1267 O MET A 80 -2.123 3.690 -20.172 1.00 0.00 O ATOM 1268 CB MET A 80 -4.405 4.245 -17.744 1.00 0.00 C ATOM 1269 CG MET A 80 -5.226 3.819 -16.537 1.00 0.00 C ATOM 1270 SD MET A 80 -4.326 4.003 -14.985 1.00 0.00 S ATOM 1271 CE MET A 80 -5.441 3.182 -13.849 1.00 0.00 C ATOM 0 H MET A 80 -1.993 4.316 -17.096 1.00 0.00 H new ATOM 0 HA MET A 80 -3.766 2.203 -17.948 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.881 5.171 -17.508 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.078 4.462 -18.573 1.00 0.00 H new ATOM 0 HG2 MET A 80 -6.139 4.413 -16.496 1.00 0.00 H new ATOM 0 HG3 MET A 80 -5.528 2.778 -16.656 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.869 2.740 -13.033 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.148 3.907 -13.445 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.986 2.399 -14.376 1.00 0.00 H new ATOM 1281 N GLY A 81 -4.204 2.883 -20.454 1.00 0.00 N ATOM 1282 CA GLY A 81 -4.116 2.920 -21.902 1.00 0.00 C ATOM 1283 C GLY A 81 -5.477 2.882 -22.567 1.00 0.00 C ATOM 1284 O GLY A 81 -5.924 1.828 -23.021 1.00 0.00 O ATOM 0 H GLY A 81 -5.091 2.538 -20.087 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.591 3.825 -22.208 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.522 2.074 -22.248 1.00 0.00 H new ATOM 1288 N ARG A 82 -6.140 4.033 -22.622 1.00 0.00 N ATOM 1289 CA ARG A 82 -7.460 4.126 -23.234 1.00 0.00 C ATOM 1290 C ARG A 82 -7.361 4.654 -24.662 1.00 0.00 C ATOM 1291 O ARG A 82 -8.250 5.364 -25.135 1.00 0.00 O ATOM 1292 CB ARG A 82 -8.367 5.036 -22.404 1.00 0.00 C ATOM 1293 CG ARG A 82 -9.839 4.665 -22.483 1.00 0.00 C ATOM 1294 CD ARG A 82 -10.730 5.844 -22.126 1.00 0.00 C ATOM 1295 NE ARG A 82 -11.027 6.678 -23.287 1.00 0.00 N ATOM 1296 CZ ARG A 82 -11.863 6.320 -24.255 1.00 0.00 C ATOM 1297 NH1 ARG A 82 -12.483 5.149 -24.201 1.00 0.00 N ATOM 1298 NH2 ARG A 82 -12.081 7.134 -25.280 1.00 0.00 N ATOM 0 H ARG A 82 -5.784 4.914 -22.250 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.891 3.125 -23.264 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.048 5.001 -21.362 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.242 6.065 -22.741 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -10.075 4.321 -23.490 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -10.043 3.835 -21.806 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.662 5.477 -21.696 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.242 6.448 -21.361 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.567 7.586 -23.359 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.318 4.521 -23.415 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.124 4.877 -24.946 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.606 8.036 -25.325 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.723 6.858 -26.023 1.00 0.00 H new ATOM 1312 N LEU A 83 -6.277 4.303 -25.344 1.00 0.00 N ATOM 1313 CA LEU A 83 -6.061 4.742 -26.718 1.00 0.00 C ATOM 1314 C LEU A 83 -6.460 3.651 -27.707 1.00 0.00 C ATOM 1315 O LEU A 83 -7.315 3.861 -28.567 1.00 0.00 O ATOM 1316 CB LEU A 83 -4.595 5.125 -26.928 1.00 0.00 C ATOM 1317 CG LEU A 83 -4.165 6.475 -26.352 1.00 0.00 C ATOM 1318 CD1 LEU A 83 -4.966 7.604 -26.982 1.00 0.00 C ATOM 1319 CD2 LEU A 83 -4.327 6.484 -24.839 1.00 0.00 C ATOM 0 H LEU A 83 -5.533 3.715 -24.968 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.687 5.616 -26.897 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.971 4.349 -26.486 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.391 5.128 -27.999 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.112 6.630 -26.586 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.646 8.557 -26.560 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.800 7.611 -28.059 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.027 7.455 -26.779 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.017 7.452 -24.446 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.372 6.307 -24.584 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.709 5.700 -24.402 1.00 0.00 H new ATOM 1331 N SER A 84 -5.837 2.484 -27.576 1.00 0.00 N ATOM 1332 CA SER A 84 -6.125 1.360 -28.459 1.00 0.00 C ATOM 1333 C SER A 84 -5.702 0.043 -27.817 1.00 0.00 C ATOM 1334 O SER A 84 -4.514 -0.205 -27.605 1.00 0.00 O ATOM 1335 CB SER A 84 -5.411 1.541 -29.800 1.00 0.00 C ATOM 1336 OG SER A 84 -4.005 1.581 -29.626 1.00 0.00 O ATOM 0 H SER A 84 -5.129 2.292 -26.867 1.00 0.00 H new ATOM 0 HA SER A 84 -7.201 1.331 -28.631 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.675 0.723 -30.470 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.749 2.463 -30.274 1.00 0.00 H new ATOM 0 HG SER A 84 -3.747 0.965 -28.909 1.00 0.00 H new ATOM 1342 N LEU A 85 -6.681 -0.800 -27.510 1.00 0.00 N ATOM 1343 CA LEU A 85 -6.412 -2.094 -26.892 1.00 0.00 C ATOM 1344 C LEU A 85 -5.958 -3.111 -27.934 1.00 0.00 C ATOM 1345 O LEU A 85 -5.536 -4.216 -27.594 1.00 0.00 O ATOM 1346 CB LEU A 85 -7.660 -2.607 -26.172 1.00 0.00 C ATOM 1347 CG LEU A 85 -7.799 -2.208 -24.702 1.00 0.00 C ATOM 1348 CD1 LEU A 85 -9.227 -2.421 -24.224 1.00 0.00 C ATOM 1349 CD2 LEU A 85 -6.823 -2.997 -23.841 1.00 0.00 C ATOM 0 H LEU A 85 -7.669 -0.611 -27.679 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.610 -1.962 -26.166 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.538 -2.249 -26.709 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.670 -3.695 -26.235 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.561 -1.148 -24.609 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.307 -2.132 -23.176 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.905 -1.812 -24.821 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.494 -3.472 -24.332 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.936 -2.700 -22.798 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.030 -4.063 -23.940 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.803 -2.794 -24.168 1.00 0.00 H new TER 1361 LEU A 85