USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 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 116 TYR OH : rot 15:sc= -2.54! USER MOD Set 1.2: A 160 HIS :FLIP no HE2:sc= -11.3! C(o=-17!,f=-14!) USER MOD Set 2.1: A 105 SER OG : rot 110:sc= 1.1 USER MOD Set 2.2: A 108 THR OG1 : rot -14:sc= -3.44! USER MOD Set 2.3: A 163 ASN : amide:sc= -0.874 K(o=-3.2,f=-6.8!) USER MOD Single : A 98 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0366) USER MOD Single : A 99 MET CE :methyl 145:sc= -8.3! (180deg=-11.7!) USER MOD Single : A 109 THR OG1 : rot -95:sc= -0.0428 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot 16:sc= -1.36 USER MOD Single : A 127 THR OG1 : rot 38:sc= 0.11 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 172:sc= -1.34! USER MOD Single : A 137 SER OG : rot -162:sc= -2.17! USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot -9:sc= -2.85! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl -150:sc= -0.27 (180deg=-1.19) USER MOD Single : A 157 GLN :FLIP amide:sc= -0.467 F(o=-1.4,f=-0.47) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 77.165 -6.834 3.028 1.00 0.00 N ATOM 2 CA LYS A 98 76.936 -5.738 2.042 1.00 0.00 C ATOM 3 C LYS A 98 75.508 -5.811 1.491 1.00 0.00 C ATOM 4 O LYS A 98 74.941 -6.876 1.351 1.00 0.00 O ATOM 5 CB LYS A 98 77.951 -5.985 0.919 1.00 0.00 C ATOM 6 CG LYS A 98 79.282 -6.463 1.508 1.00 0.00 C ATOM 7 CD LYS A 98 80.329 -6.556 0.395 1.00 0.00 C ATOM 8 CE LYS A 98 81.381 -5.461 0.587 1.00 0.00 C ATOM 9 NZ LYS A 98 82.258 -5.955 1.683 1.00 0.00 N ATOM 0 HA LYS A 98 77.058 -4.753 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.563 -6.731 0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 98 78.105 -5.069 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.618 -5.773 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 98 79.153 -7.436 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.804 -7.537 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 98 79.850 -6.448 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 98 81.949 -5.295 -0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 98 80.917 -4.511 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 82.328 -5.230 2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 81.854 -6.825 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 83.206 -6.156 1.305 1.00 0.00 H new ATOM 23 N MET A 99 74.925 -4.687 1.172 1.00 0.00 N ATOM 24 CA MET A 99 73.537 -4.698 0.625 1.00 0.00 C ATOM 25 C MET A 99 73.357 -3.554 -0.377 1.00 0.00 C ATOM 26 O MET A 99 74.043 -2.554 -0.324 1.00 0.00 O ATOM 27 CB MET A 99 72.626 -4.506 1.839 1.00 0.00 C ATOM 28 CG MET A 99 71.196 -4.910 1.479 1.00 0.00 C ATOM 29 SD MET A 99 70.091 -4.516 2.855 1.00 0.00 S ATOM 30 CE MET A 99 69.461 -2.954 2.192 1.00 0.00 C ATOM 0 H MET A 99 75.348 -3.764 1.266 1.00 0.00 H new ATOM 0 HA MET A 99 73.309 -5.622 0.094 1.00 0.00 H new ATOM 0 HB2 MET A 99 72.985 -5.108 2.674 1.00 0.00 H new ATOM 0 HB3 MET A 99 72.650 -3.465 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 99 70.875 -4.385 0.579 1.00 0.00 H new ATOM 0 HG3 MET A 99 71.153 -5.977 1.259 1.00 0.00 H new ATOM 0 HE1 MET A 99 68.415 -2.835 2.474 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.043 -2.126 2.597 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.546 -2.960 1.105 1.00 0.00 H new ATOM 40 N PHE A 100 72.441 -3.701 -1.294 1.00 0.00 N ATOM 41 CA PHE A 100 72.214 -2.634 -2.309 1.00 0.00 C ATOM 42 C PHE A 100 70.868 -1.951 -2.058 1.00 0.00 C ATOM 43 O PHE A 100 69.869 -2.597 -1.813 1.00 0.00 O ATOM 44 CB PHE A 100 72.213 -3.378 -3.646 1.00 0.00 C ATOM 45 CG PHE A 100 72.196 -2.403 -4.801 1.00 0.00 C ATOM 46 CD1 PHE A 100 71.129 -1.508 -4.961 1.00 0.00 C ATOM 47 CD2 PHE A 100 73.250 -2.404 -5.721 1.00 0.00 C ATOM 48 CE1 PHE A 100 71.121 -0.615 -6.040 1.00 0.00 C ATOM 49 CE2 PHE A 100 73.241 -1.512 -6.799 1.00 0.00 C ATOM 50 CZ PHE A 100 72.177 -0.618 -6.959 1.00 0.00 C ATOM 0 H PHE A 100 71.837 -4.518 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 100 72.970 -1.849 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 100 73.095 -4.015 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 100 71.343 -4.032 -3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 100 70.314 -1.507 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 100 74.072 -3.094 -5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 100 70.300 0.076 -6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 100 74.056 -1.514 -7.508 1.00 0.00 H new ATOM 0 HZ PHE A 100 72.170 0.070 -7.792 1.00 0.00 H new ATOM 60 N ILE A 101 70.834 -0.648 -2.120 1.00 0.00 N ATOM 61 CA ILE A 101 69.552 0.081 -1.889 1.00 0.00 C ATOM 62 C ILE A 101 69.104 0.749 -3.189 1.00 0.00 C ATOM 63 O ILE A 101 69.567 1.814 -3.543 1.00 0.00 O ATOM 64 CB ILE A 101 69.858 1.134 -0.813 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.914 0.604 0.168 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.579 1.444 -0.041 1.00 0.00 C ATOM 67 CD1 ILE A 101 70.391 -0.662 0.855 1.00 0.00 C ATOM 0 H ILE A 101 71.639 -0.055 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 101 68.750 -0.584 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 101 70.238 2.034 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.840 0.385 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 101 71.146 1.365 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.788 2.191 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.824 1.829 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 101 68.209 0.534 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 101 71.143 -1.036 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.476 -0.429 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 101 70.181 -1.423 0.104 1.00 0.00 H new ATOM 79 N GLY A 102 68.215 0.125 -3.913 1.00 0.00 N ATOM 80 CA GLY A 102 67.753 0.723 -5.197 1.00 0.00 C ATOM 81 C GLY A 102 66.548 1.634 -4.947 1.00 0.00 C ATOM 82 O GLY A 102 65.463 1.176 -4.648 1.00 0.00 O ATOM 0 H GLY A 102 67.790 -0.770 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.562 1.293 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.483 -0.066 -5.899 1.00 0.00 H new ATOM 86 N GLY A 103 66.730 2.921 -5.070 1.00 0.00 N ATOM 87 CA GLY A 103 65.594 3.862 -4.844 1.00 0.00 C ATOM 88 C GLY A 103 66.052 5.024 -3.960 1.00 0.00 C ATOM 89 O GLY A 103 65.313 5.519 -3.132 1.00 0.00 O ATOM 0 H GLY A 103 67.616 3.362 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 103 65.228 4.241 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.764 3.338 -4.370 1.00 0.00 H new ATOM 93 N LEU A 104 67.265 5.468 -4.138 1.00 0.00 N ATOM 94 CA LEU A 104 67.775 6.604 -3.321 1.00 0.00 C ATOM 95 C LEU A 104 67.328 7.923 -3.949 1.00 0.00 C ATOM 96 O LEU A 104 67.182 8.029 -5.150 1.00 0.00 O ATOM 97 CB LEU A 104 69.303 6.492 -3.383 1.00 0.00 C ATOM 98 CG LEU A 104 69.872 6.007 -2.042 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.213 6.755 -0.878 1.00 0.00 C ATOM 100 CD2 LEU A 104 69.614 4.505 -1.897 1.00 0.00 C ATOM 0 H LEU A 104 67.927 5.092 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 104 67.405 6.576 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.589 5.800 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.733 7.461 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 104 70.944 6.203 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.628 6.399 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 104 69.404 7.824 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 104 68.138 6.575 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 104 70.017 4.157 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 104 68.541 4.315 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 104 70.100 3.972 -2.714 1.00 0.00 H new ATOM 112 N SER A 105 67.120 8.933 -3.156 1.00 0.00 N ATOM 113 CA SER A 105 66.695 10.239 -3.728 1.00 0.00 C ATOM 114 C SER A 105 67.858 10.859 -4.510 1.00 0.00 C ATOM 115 O SER A 105 69.007 10.698 -4.156 1.00 0.00 O ATOM 116 CB SER A 105 66.324 11.097 -2.517 1.00 0.00 C ATOM 117 OG SER A 105 67.160 12.246 -2.473 1.00 0.00 O ATOM 0 H SER A 105 67.225 8.913 -2.142 1.00 0.00 H new ATOM 0 HA SER A 105 65.859 10.148 -4.422 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.278 11.398 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.436 10.518 -1.600 1.00 0.00 H new ATOM 0 HG SER A 105 66.632 13.043 -2.686 1.00 0.00 H new ATOM 123 N TRP A 106 67.568 11.563 -5.570 1.00 0.00 N ATOM 124 CA TRP A 106 68.654 12.190 -6.373 1.00 0.00 C ATOM 125 C TRP A 106 69.423 13.203 -5.519 1.00 0.00 C ATOM 126 O TRP A 106 70.472 13.683 -5.902 1.00 0.00 O ATOM 127 CB TRP A 106 67.922 12.887 -7.520 1.00 0.00 C ATOM 128 CG TRP A 106 68.730 12.759 -8.768 1.00 0.00 C ATOM 129 CD1 TRP A 106 69.919 13.360 -8.980 1.00 0.00 C ATOM 130 CD2 TRP A 106 68.437 11.992 -9.973 1.00 0.00 C ATOM 131 NE1 TRP A 106 70.378 13.017 -10.239 1.00 0.00 N ATOM 132 CE2 TRP A 106 69.498 12.174 -10.891 1.00 0.00 C ATOM 133 CE3 TRP A 106 67.363 11.167 -10.355 1.00 0.00 C ATOM 134 CZ2 TRP A 106 69.496 11.557 -12.143 1.00 0.00 C ATOM 135 CZ3 TRP A 106 67.359 10.544 -11.614 1.00 0.00 C ATOM 136 CH2 TRP A 106 68.422 10.741 -12.507 1.00 0.00 C ATOM 0 H TRP A 106 66.623 11.731 -5.915 1.00 0.00 H new ATOM 0 HA TRP A 106 69.387 11.468 -6.733 1.00 0.00 H new ATOM 0 HB2 TRP A 106 66.937 12.442 -7.663 1.00 0.00 H new ATOM 0 HB3 TRP A 106 67.764 13.939 -7.281 1.00 0.00 H new ATOM 0 HD1 TRP A 106 70.430 14.005 -8.280 1.00 0.00 H new ATOM 0 HE1 TRP A 106 71.258 13.346 -10.637 1.00 0.00 H new ATOM 0 HE3 TRP A 106 66.537 11.012 -9.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 70.319 11.709 -12.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 66.532 9.909 -11.896 1.00 0.00 H new ATOM 0 HH2 TRP A 106 68.410 10.262 -13.475 1.00 0.00 H new ATOM 147 N ASP A 107 68.910 13.530 -4.362 1.00 0.00 N ATOM 148 CA ASP A 107 69.612 14.510 -3.484 1.00 0.00 C ATOM 149 C ASP A 107 70.000 13.858 -2.149 1.00 0.00 C ATOM 150 O ASP A 107 70.310 14.534 -1.190 1.00 0.00 O ATOM 151 CB ASP A 107 68.602 15.636 -3.258 1.00 0.00 C ATOM 152 CG ASP A 107 69.249 16.980 -3.605 1.00 0.00 C ATOM 153 OD1 ASP A 107 70.468 17.036 -3.637 1.00 0.00 O ATOM 154 OD2 ASP A 107 68.517 17.928 -3.832 1.00 0.00 O ATOM 0 H ASP A 107 68.036 13.161 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 107 70.536 14.873 -3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 107 67.718 15.476 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.269 15.638 -2.220 1.00 0.00 H new ATOM 159 N THR A 108 69.985 12.551 -2.079 1.00 0.00 N ATOM 160 CA THR A 108 70.358 11.868 -0.802 1.00 0.00 C ATOM 161 C THR A 108 71.859 12.019 -0.534 1.00 0.00 C ATOM 162 O THR A 108 72.600 12.529 -1.351 1.00 0.00 O ATOM 163 CB THR A 108 70.002 10.388 -1.006 1.00 0.00 C ATOM 164 OG1 THR A 108 68.696 10.289 -1.559 1.00 0.00 O ATOM 165 CG2 THR A 108 70.044 9.660 0.341 1.00 0.00 C ATOM 0 H THR A 108 69.732 11.929 -2.847 1.00 0.00 H new ATOM 0 HA THR A 108 69.834 12.297 0.052 1.00 0.00 H new ATOM 0 HB THR A 108 70.721 9.931 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 108 68.237 11.150 -1.470 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.791 8.610 0.195 1.00 0.00 H new ATOM 0 HG22 THR A 108 71.045 9.737 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 108 69.325 10.115 1.023 1.00 0.00 H new ATOM 173 N THR A 109 72.310 11.568 0.604 1.00 0.00 N ATOM 174 CA THR A 109 73.759 11.669 0.934 1.00 0.00 C ATOM 175 C THR A 109 74.168 10.486 1.815 1.00 0.00 C ATOM 176 O THR A 109 73.354 9.913 2.510 1.00 0.00 O ATOM 177 CB THR A 109 73.914 12.991 1.692 1.00 0.00 C ATOM 178 OG1 THR A 109 73.297 12.884 2.967 1.00 0.00 O ATOM 179 CG2 THR A 109 73.256 14.120 0.897 1.00 0.00 C ATOM 0 H THR A 109 71.733 11.131 1.323 1.00 0.00 H new ATOM 0 HA THR A 109 74.391 11.646 0.046 1.00 0.00 H new ATOM 0 HB THR A 109 74.974 13.211 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 109 72.384 13.238 2.920 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.368 15.059 1.439 1.00 0.00 H new ATOM 0 HG22 THR A 109 73.734 14.205 -0.079 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.196 13.902 0.764 1.00 0.00 H new ATOM 187 N LYS A 110 75.417 10.111 1.788 1.00 0.00 N ATOM 188 CA LYS A 110 75.864 8.959 2.623 1.00 0.00 C ATOM 189 C LYS A 110 75.562 9.224 4.101 1.00 0.00 C ATOM 190 O LYS A 110 75.568 8.324 4.915 1.00 0.00 O ATOM 191 CB LYS A 110 77.375 8.865 2.401 1.00 0.00 C ATOM 192 CG LYS A 110 77.683 7.746 1.403 1.00 0.00 C ATOM 193 CD LYS A 110 79.100 7.927 0.850 1.00 0.00 C ATOM 194 CE LYS A 110 79.121 9.093 -0.142 1.00 0.00 C ATOM 195 NZ LYS A 110 80.566 9.358 -0.399 1.00 0.00 N ATOM 0 H LYS A 110 76.146 10.550 1.226 1.00 0.00 H new ATOM 0 HA LYS A 110 75.352 8.036 2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.757 9.815 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.880 8.670 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.593 6.775 1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 110 76.959 7.762 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.798 8.118 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.428 7.012 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 110 78.597 8.837 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 110 78.626 9.972 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 80.660 10.146 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 81.038 9.606 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 81.009 8.507 -0.799 1.00 0.00 H new ATOM 209 N LYS A 111 75.309 10.456 4.456 1.00 0.00 N ATOM 210 CA LYS A 111 75.023 10.777 5.886 1.00 0.00 C ATOM 211 C LYS A 111 73.563 10.474 6.240 1.00 0.00 C ATOM 212 O LYS A 111 73.284 9.654 7.091 1.00 0.00 O ATOM 213 CB LYS A 111 75.304 12.275 6.020 1.00 0.00 C ATOM 214 CG LYS A 111 76.439 12.496 7.025 1.00 0.00 C ATOM 215 CD LYS A 111 75.972 13.449 8.129 1.00 0.00 C ATOM 216 CE LYS A 111 77.114 13.679 9.123 1.00 0.00 C ATOM 217 NZ LYS A 111 76.554 14.609 10.143 1.00 0.00 N ATOM 0 H LYS A 111 75.288 11.253 3.819 1.00 0.00 H new ATOM 0 HA LYS A 111 75.634 10.178 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.576 12.693 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.405 12.796 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 111 76.745 11.544 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.311 12.910 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 111 75.657 14.398 7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 111 75.107 13.030 8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 111 77.437 12.742 9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 111 77.985 14.111 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 77.279 14.815 10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 76.262 15.494 9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 75.730 14.168 10.600 1.00 0.00 H new ATOM 231 N ASP A 112 72.630 11.134 5.610 1.00 0.00 N ATOM 232 CA ASP A 112 71.196 10.878 5.939 1.00 0.00 C ATOM 233 C ASP A 112 70.845 9.402 5.727 1.00 0.00 C ATOM 234 O ASP A 112 69.969 8.870 6.382 1.00 0.00 O ATOM 235 CB ASP A 112 70.393 11.773 4.992 1.00 0.00 C ATOM 236 CG ASP A 112 70.902 11.603 3.560 1.00 0.00 C ATOM 237 OD1 ASP A 112 71.190 10.480 3.184 1.00 0.00 O ATOM 238 OD2 ASP A 112 70.990 12.600 2.863 1.00 0.00 O ATOM 0 H ASP A 112 72.795 11.834 4.887 1.00 0.00 H new ATOM 0 HA ASP A 112 70.975 11.100 6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.335 11.516 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.483 12.815 5.298 1.00 0.00 H new ATOM 243 N LEU A 113 71.517 8.730 4.832 1.00 0.00 N ATOM 244 CA LEU A 113 71.207 7.287 4.610 1.00 0.00 C ATOM 245 C LEU A 113 71.854 6.446 5.710 1.00 0.00 C ATOM 246 O LEU A 113 71.268 5.510 6.217 1.00 0.00 O ATOM 247 CB LEU A 113 71.805 6.940 3.246 1.00 0.00 C ATOM 248 CG LEU A 113 71.447 5.498 2.888 1.00 0.00 C ATOM 249 CD1 LEU A 113 70.002 5.440 2.392 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.384 4.999 1.784 1.00 0.00 C ATOM 0 H LEU A 113 72.261 9.113 4.249 1.00 0.00 H new ATOM 0 HA LEU A 113 70.136 7.088 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.423 7.621 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.888 7.063 3.269 1.00 0.00 H new ATOM 0 HG LEU A 113 71.555 4.867 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.746 4.412 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.334 5.796 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.895 6.071 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 113 72.129 3.971 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.275 5.630 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.415 5.041 2.135 1.00 0.00 H new ATOM 262 N LYS A 114 73.059 6.775 6.092 1.00 0.00 N ATOM 263 CA LYS A 114 73.732 5.997 7.168 1.00 0.00 C ATOM 264 C LYS A 114 72.851 5.975 8.416 1.00 0.00 C ATOM 265 O LYS A 114 72.450 4.929 8.887 1.00 0.00 O ATOM 266 CB LYS A 114 75.035 6.741 7.450 1.00 0.00 C ATOM 267 CG LYS A 114 75.981 5.837 8.243 1.00 0.00 C ATOM 268 CD LYS A 114 77.341 5.793 7.546 1.00 0.00 C ATOM 269 CE LYS A 114 77.877 7.218 7.389 1.00 0.00 C ATOM 270 NZ LYS A 114 78.768 7.170 6.193 1.00 0.00 N ATOM 0 H LYS A 114 73.604 7.546 5.706 1.00 0.00 H new ATOM 0 HA LYS A 114 73.914 4.962 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.504 7.042 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.831 7.653 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 114 76.093 6.212 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 114 75.565 4.832 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 114 78.040 5.191 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 114 77.246 5.318 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 114 77.065 7.931 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 114 78.426 7.533 8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 79.172 8.113 6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 79.536 6.489 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 78.217 6.875 5.362 1.00 0.00 H new ATOM 284 N ASP A 115 72.537 7.123 8.953 1.00 0.00 N ATOM 285 CA ASP A 115 71.673 7.152 10.164 1.00 0.00 C ATOM 286 C ASP A 115 70.321 6.547 9.828 1.00 0.00 C ATOM 287 O ASP A 115 69.768 5.781 10.593 1.00 0.00 O ATOM 288 CB ASP A 115 71.542 8.627 10.541 1.00 0.00 C ATOM 289 CG ASP A 115 72.870 9.125 11.112 1.00 0.00 C ATOM 290 OD1 ASP A 115 73.441 8.423 11.930 1.00 0.00 O ATOM 291 OD2 ASP A 115 73.295 10.199 10.721 1.00 0.00 O ATOM 0 H ASP A 115 72.839 8.034 8.608 1.00 0.00 H new ATOM 0 HA ASP A 115 72.088 6.577 10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 115 71.267 9.215 9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.746 8.757 11.275 1.00 0.00 H new ATOM 296 N TYR A 116 69.793 6.848 8.676 1.00 0.00 N ATOM 297 CA TYR A 116 68.496 6.239 8.298 1.00 0.00 C ATOM 298 C TYR A 116 68.572 4.742 8.581 1.00 0.00 C ATOM 299 O TYR A 116 67.635 4.130 9.051 1.00 0.00 O ATOM 300 CB TYR A 116 68.360 6.468 6.801 1.00 0.00 C ATOM 301 CG TYR A 116 67.085 5.816 6.339 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.896 6.542 6.366 1.00 0.00 C ATOM 303 CD2 TYR A 116 67.089 4.485 5.902 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.700 5.945 5.952 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.894 3.886 5.487 1.00 0.00 C ATOM 306 CZ TYR A 116 64.700 4.616 5.511 1.00 0.00 C ATOM 307 OH TYR A 116 63.522 4.026 5.104 1.00 0.00 O ATOM 0 H TYR A 116 70.200 7.482 7.989 1.00 0.00 H new ATOM 0 HA TYR A 116 67.654 6.662 8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 116 68.343 7.535 6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 116 69.215 6.047 6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.897 7.567 6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 116 68.011 3.923 5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.779 6.508 5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.893 2.861 5.148 1.00 0.00 H new ATOM 0 HH TYR A 116 62.843 4.718 4.957 1.00 0.00 H new ATOM 317 N PHE A 117 69.700 4.153 8.277 1.00 0.00 N ATOM 318 CA PHE A 117 69.870 2.695 8.504 1.00 0.00 C ATOM 319 C PHE A 117 70.461 2.403 9.886 1.00 0.00 C ATOM 320 O PHE A 117 70.572 1.263 10.291 1.00 0.00 O ATOM 321 CB PHE A 117 70.787 2.229 7.373 1.00 0.00 C ATOM 322 CG PHE A 117 69.940 2.021 6.142 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.946 1.037 6.151 1.00 0.00 C ATOM 324 CD2 PHE A 117 70.123 2.824 5.008 1.00 0.00 C ATOM 325 CE1 PHE A 117 68.133 0.848 5.030 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.312 2.633 3.880 1.00 0.00 C ATOM 327 CZ PHE A 117 68.317 1.645 3.891 1.00 0.00 C ATOM 0 H PHE A 117 70.512 4.626 7.880 1.00 0.00 H new ATOM 0 HA PHE A 117 68.918 2.164 8.493 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.563 2.971 7.181 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.292 1.303 7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.806 0.421 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.887 3.588 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.364 0.089 5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.454 3.247 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.692 1.498 3.022 1.00 0.00 H new ATOM 337 N SER A 118 70.817 3.411 10.628 1.00 0.00 N ATOM 338 CA SER A 118 71.362 3.161 11.991 1.00 0.00 C ATOM 339 C SER A 118 70.236 2.658 12.900 1.00 0.00 C ATOM 340 O SER A 118 70.456 2.280 14.033 1.00 0.00 O ATOM 341 CB SER A 118 71.877 4.515 12.473 1.00 0.00 C ATOM 342 OG SER A 118 73.250 4.649 12.126 1.00 0.00 O ATOM 0 H SER A 118 70.755 4.391 10.354 1.00 0.00 H new ATOM 0 HA SER A 118 72.152 2.410 11.998 1.00 0.00 H new ATOM 0 HB2 SER A 118 71.296 5.319 12.021 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.753 4.600 13.553 1.00 0.00 H new ATOM 0 HG SER A 118 73.582 5.518 12.433 1.00 0.00 H new ATOM 348 N LYS A 119 69.023 2.657 12.404 1.00 0.00 N ATOM 349 CA LYS A 119 67.871 2.185 13.224 1.00 0.00 C ATOM 350 C LYS A 119 67.807 0.656 13.216 1.00 0.00 C ATOM 351 O LYS A 119 67.185 0.048 14.065 1.00 0.00 O ATOM 352 CB LYS A 119 66.638 2.775 12.535 1.00 0.00 C ATOM 353 CG LYS A 119 65.394 2.509 13.384 1.00 0.00 C ATOM 354 CD LYS A 119 65.083 3.745 14.228 1.00 0.00 C ATOM 355 CE LYS A 119 65.935 3.724 15.498 1.00 0.00 C ATOM 356 NZ LYS A 119 65.446 4.874 16.308 1.00 0.00 N ATOM 0 H LYS A 119 68.783 2.965 11.462 1.00 0.00 H new ATOM 0 HA LYS A 119 67.948 2.493 14.267 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.769 3.847 12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.516 2.333 11.546 1.00 0.00 H new ATOM 0 HG2 LYS A 119 64.546 2.270 12.742 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.558 1.646 14.029 1.00 0.00 H new ATOM 0 HD2 LYS A 119 65.287 4.650 13.656 1.00 0.00 H new ATOM 0 HD3 LYS A 119 64.025 3.764 14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 119 65.818 2.784 16.037 1.00 0.00 H new ATOM 0 HE3 LYS A 119 66.995 3.828 15.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 65.983 4.926 17.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 65.576 5.756 15.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 64.436 4.744 16.521 1.00 0.00 H new ATOM 370 N PHE A 120 68.450 0.030 12.269 1.00 0.00 N ATOM 371 CA PHE A 120 68.426 -1.459 12.215 1.00 0.00 C ATOM 372 C PHE A 120 69.584 -2.022 13.036 1.00 0.00 C ATOM 373 O PHE A 120 69.393 -2.632 14.069 1.00 0.00 O ATOM 374 CB PHE A 120 68.615 -1.819 10.741 1.00 0.00 C ATOM 375 CG PHE A 120 67.586 -1.118 9.885 1.00 0.00 C ATOM 376 CD1 PHE A 120 66.296 -1.648 9.761 1.00 0.00 C ATOM 377 CD2 PHE A 120 67.929 0.056 9.201 1.00 0.00 C ATOM 378 CE1 PHE A 120 65.352 -1.006 8.949 1.00 0.00 C ATOM 379 CE2 PHE A 120 66.982 0.699 8.395 1.00 0.00 C ATOM 380 CZ PHE A 120 65.697 0.168 8.267 1.00 0.00 C ATOM 0 H PHE A 120 68.990 0.484 11.532 1.00 0.00 H new ATOM 0 HA PHE A 120 67.499 -1.867 12.618 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.617 -1.537 10.418 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.530 -2.898 10.611 1.00 0.00 H new ATOM 0 HD1 PHE A 120 66.029 -2.551 10.291 1.00 0.00 H new ATOM 0 HD2 PHE A 120 68.924 0.465 9.296 1.00 0.00 H new ATOM 0 HE1 PHE A 120 64.358 -1.416 8.849 1.00 0.00 H new ATOM 0 HE2 PHE A 120 67.246 1.606 7.872 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.969 0.663 7.642 1.00 0.00 H new ATOM 390 N GLY A 121 70.783 -1.818 12.574 1.00 0.00 N ATOM 391 CA GLY A 121 71.966 -2.334 13.314 1.00 0.00 C ATOM 392 C GLY A 121 73.145 -1.382 13.117 1.00 0.00 C ATOM 393 O GLY A 121 72.983 -0.260 12.681 1.00 0.00 O ATOM 0 H GLY A 121 70.996 -1.315 11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.733 -2.427 14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.226 -3.330 12.957 1.00 0.00 H new ATOM 397 N GLU A 122 74.332 -1.816 13.439 1.00 0.00 N ATOM 398 CA GLU A 122 75.518 -0.928 13.274 1.00 0.00 C ATOM 399 C GLU A 122 76.138 -1.099 11.885 1.00 0.00 C ATOM 400 O GLU A 122 76.583 -2.169 11.518 1.00 0.00 O ATOM 401 CB GLU A 122 76.501 -1.375 14.355 1.00 0.00 C ATOM 402 CG GLU A 122 77.127 -0.145 15.017 1.00 0.00 C ATOM 403 CD GLU A 122 78.277 0.373 14.152 1.00 0.00 C ATOM 404 OE1 GLU A 122 79.379 -0.130 14.303 1.00 0.00 O ATOM 405 OE2 GLU A 122 78.038 1.265 13.356 1.00 0.00 O ATOM 0 H GLU A 122 74.532 -2.745 13.809 1.00 0.00 H new ATOM 0 HA GLU A 122 75.252 0.125 13.368 1.00 0.00 H new ATOM 0 HB2 GLU A 122 75.987 -1.980 15.101 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.279 -2.001 13.918 1.00 0.00 H new ATOM 0 HG2 GLU A 122 76.375 0.634 15.145 1.00 0.00 H new ATOM 0 HG3 GLU A 122 77.493 -0.401 16.011 1.00 0.00 H new ATOM 412 N VAL A 123 76.187 -0.045 11.118 1.00 0.00 N ATOM 413 CA VAL A 123 76.795 -0.131 9.759 1.00 0.00 C ATOM 414 C VAL A 123 78.275 0.226 9.820 1.00 0.00 C ATOM 415 O VAL A 123 78.665 1.234 10.377 1.00 0.00 O ATOM 416 CB VAL A 123 76.020 0.879 8.897 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.935 1.499 7.833 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.893 0.145 8.182 1.00 0.00 C ATOM 0 H VAL A 123 75.831 0.876 11.374 1.00 0.00 H new ATOM 0 HA VAL A 123 76.732 -1.137 9.345 1.00 0.00 H new ATOM 0 HB VAL A 123 75.633 1.667 9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.367 2.211 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.763 2.014 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.327 0.713 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.334 0.849 7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.312 -0.637 7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.226 -0.303 8.918 1.00 0.00 H new ATOM 428 N VAL A 124 79.094 -0.576 9.212 1.00 0.00 N ATOM 429 CA VAL A 124 80.542 -0.270 9.187 1.00 0.00 C ATOM 430 C VAL A 124 80.802 0.591 7.964 1.00 0.00 C ATOM 431 O VAL A 124 81.734 1.369 7.916 1.00 0.00 O ATOM 432 CB VAL A 124 81.243 -1.629 9.057 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.559 -1.472 8.282 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.541 -2.179 10.453 1.00 0.00 C ATOM 0 H VAL A 124 78.822 -1.433 8.730 1.00 0.00 H new ATOM 0 HA VAL A 124 80.896 0.261 10.070 1.00 0.00 H new ATOM 0 HB VAL A 124 80.591 -2.317 8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 124 83.048 -2.442 8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.350 -1.081 7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.214 -0.781 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.039 -3.145 10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.189 -1.484 10.987 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.608 -2.301 11.003 1.00 0.00 H new ATOM 444 N ASP A 125 79.979 0.446 6.967 1.00 0.00 N ATOM 445 CA ASP A 125 80.182 1.247 5.742 1.00 0.00 C ATOM 446 C ASP A 125 78.846 1.621 5.097 1.00 0.00 C ATOM 447 O ASP A 125 77.806 1.090 5.431 1.00 0.00 O ATOM 448 CB ASP A 125 80.996 0.348 4.813 1.00 0.00 C ATOM 449 CG ASP A 125 82.485 0.655 4.982 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.893 1.738 4.596 1.00 0.00 O ATOM 451 OD2 ASP A 125 83.191 -0.197 5.495 1.00 0.00 O ATOM 0 H ASP A 125 79.181 -0.189 6.951 1.00 0.00 H new ATOM 0 HA ASP A 125 80.689 2.188 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.802 -0.700 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.696 0.510 3.778 1.00 0.00 H new ATOM 456 N CYS A 126 78.880 2.531 4.167 1.00 0.00 N ATOM 457 CA CYS A 126 77.632 2.954 3.474 1.00 0.00 C ATOM 458 C CYS A 126 77.992 3.743 2.223 1.00 0.00 C ATOM 459 O CYS A 126 79.020 4.386 2.155 1.00 0.00 O ATOM 460 CB CYS A 126 76.884 3.837 4.473 1.00 0.00 C ATOM 461 SG CYS A 126 75.284 4.314 3.774 1.00 0.00 S ATOM 0 H CYS A 126 79.727 3.005 3.854 1.00 0.00 H new ATOM 0 HA CYS A 126 77.021 2.106 3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.738 3.301 5.411 1.00 0.00 H new ATOM 0 HB3 CYS A 126 77.473 4.725 4.702 1.00 0.00 H new ATOM 0 HG CYS A 126 75.006 3.545 2.763 1.00 0.00 H new ATOM 467 N THR A 127 77.163 3.687 1.226 1.00 0.00 N ATOM 468 CA THR A 127 77.467 4.418 -0.029 1.00 0.00 C ATOM 469 C THR A 127 76.164 4.840 -0.714 1.00 0.00 C ATOM 470 O THR A 127 75.084 4.477 -0.293 1.00 0.00 O ATOM 471 CB THR A 127 78.255 3.396 -0.866 1.00 0.00 C ATOM 472 OG1 THR A 127 79.644 3.679 -0.768 1.00 0.00 O ATOM 473 CG2 THR A 127 77.831 3.456 -2.332 1.00 0.00 C ATOM 0 H THR A 127 76.286 3.166 1.225 1.00 0.00 H new ATOM 0 HA THR A 127 78.033 5.337 0.123 1.00 0.00 H new ATOM 0 HB THR A 127 78.047 2.397 -0.482 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.857 3.960 0.146 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.401 2.725 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.767 3.231 -2.413 1.00 0.00 H new ATOM 0 HG23 THR A 127 78.022 4.454 -2.725 1.00 0.00 H new ATOM 481 N LEU A 128 76.262 5.596 -1.770 1.00 0.00 N ATOM 482 CA LEU A 128 75.035 6.030 -2.490 1.00 0.00 C ATOM 483 C LEU A 128 75.337 6.215 -3.976 1.00 0.00 C ATOM 484 O LEU A 128 76.478 6.287 -4.390 1.00 0.00 O ATOM 485 CB LEU A 128 74.633 7.365 -1.853 1.00 0.00 C ATOM 486 CG LEU A 128 75.572 8.472 -2.332 1.00 0.00 C ATOM 487 CD1 LEU A 128 75.121 8.965 -3.710 1.00 0.00 C ATOM 488 CD2 LEU A 128 75.529 9.634 -1.339 1.00 0.00 C ATOM 0 H LEU A 128 77.140 5.932 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 128 74.235 5.293 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 128 73.604 7.609 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 128 74.673 7.287 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 128 76.588 8.084 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 128 75.791 9.754 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 128 75.145 8.137 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 128 74.105 9.355 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 128 76.197 10.426 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 128 74.512 10.020 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 128 75.847 9.285 -0.357 1.00 0.00 H new ATOM 500 N LYS A 129 74.318 6.306 -4.775 1.00 0.00 N ATOM 501 CA LYS A 129 74.515 6.504 -6.236 1.00 0.00 C ATOM 502 C LYS A 129 73.453 7.477 -6.756 1.00 0.00 C ATOM 503 O LYS A 129 72.527 7.102 -7.449 1.00 0.00 O ATOM 504 CB LYS A 129 74.346 5.116 -6.856 1.00 0.00 C ATOM 505 CG LYS A 129 75.715 4.442 -6.978 1.00 0.00 C ATOM 506 CD LYS A 129 76.227 4.582 -8.411 1.00 0.00 C ATOM 507 CE LYS A 129 77.723 4.265 -8.455 1.00 0.00 C ATOM 508 NZ LYS A 129 78.231 4.989 -9.653 1.00 0.00 N ATOM 0 H LYS A 129 73.344 6.251 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 129 75.489 6.926 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 129 73.683 4.509 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 129 73.881 5.199 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 129 76.420 4.898 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 129 75.639 3.388 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 129 75.682 3.906 -9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 129 76.049 5.594 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 129 78.225 4.601 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 129 77.898 3.192 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 79.253 4.821 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 77.739 4.644 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 78.057 6.008 -9.542 1.00 0.00 H new ATOM 522 N LEU A 130 73.589 8.726 -6.406 1.00 0.00 N ATOM 523 CA LEU A 130 72.610 9.759 -6.845 1.00 0.00 C ATOM 524 C LEU A 130 73.323 11.113 -6.955 1.00 0.00 C ATOM 525 O LEU A 130 72.703 12.156 -6.949 1.00 0.00 O ATOM 526 CB LEU A 130 71.562 9.805 -5.739 1.00 0.00 C ATOM 527 CG LEU A 130 72.260 10.089 -4.412 1.00 0.00 C ATOM 528 CD1 LEU A 130 71.779 11.427 -3.853 1.00 0.00 C ATOM 529 CD2 LEU A 130 71.934 8.973 -3.421 1.00 0.00 C ATOM 0 H LEU A 130 74.349 9.080 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 130 72.166 9.535 -7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 130 70.824 10.579 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 130 71.025 8.858 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 130 73.337 10.134 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 130 72.279 11.626 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 130 72.012 12.222 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 130 70.701 11.388 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 130 72.431 9.173 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 130 70.856 8.929 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 130 72.282 8.020 -3.819 1.00 0.00 H new ATOM 541 N ASP A 131 74.628 11.093 -7.036 1.00 0.00 N ATOM 542 CA ASP A 131 75.407 12.366 -7.123 1.00 0.00 C ATOM 543 C ASP A 131 74.694 13.387 -8.013 1.00 0.00 C ATOM 544 O ASP A 131 74.786 13.334 -9.223 1.00 0.00 O ATOM 545 CB ASP A 131 76.748 11.965 -7.738 1.00 0.00 C ATOM 546 CG ASP A 131 77.369 10.836 -6.914 1.00 0.00 C ATOM 547 OD1 ASP A 131 76.827 9.743 -6.939 1.00 0.00 O ATOM 548 OD2 ASP A 131 78.375 11.084 -6.270 1.00 0.00 O ATOM 0 H ASP A 131 75.192 10.243 -7.046 1.00 0.00 H new ATOM 0 HA ASP A 131 75.523 12.837 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 131 76.605 11.641 -8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 131 77.420 12.823 -7.764 1.00 0.00 H new ATOM 553 N PRO A 132 74.008 14.292 -7.369 1.00 0.00 N ATOM 554 CA PRO A 132 73.269 15.352 -8.093 1.00 0.00 C ATOM 555 C PRO A 132 74.223 16.464 -8.540 1.00 0.00 C ATOM 556 O PRO A 132 73.950 17.188 -9.478 1.00 0.00 O ATOM 557 CB PRO A 132 72.292 15.877 -7.047 1.00 0.00 C ATOM 558 CG PRO A 132 72.927 15.577 -5.724 1.00 0.00 C ATOM 559 CD PRO A 132 73.859 14.406 -5.915 1.00 0.00 C ATOM 0 HA PRO A 132 72.777 14.989 -8.996 1.00 0.00 H new ATOM 0 HB2 PRO A 132 72.124 16.947 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 132 71.321 15.390 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 132 73.475 16.445 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 132 72.166 15.342 -4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 132 74.819 14.579 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 132 73.445 13.494 -5.485 1.00 0.00 H new ATOM 567 N ILE A 133 75.337 16.612 -7.873 1.00 0.00 N ATOM 568 CA ILE A 133 76.301 17.685 -8.257 1.00 0.00 C ATOM 569 C ILE A 133 77.298 17.159 -9.292 1.00 0.00 C ATOM 570 O ILE A 133 77.728 17.874 -10.176 1.00 0.00 O ATOM 571 CB ILE A 133 77.014 18.059 -6.955 1.00 0.00 C ATOM 572 CG1 ILE A 133 77.675 19.429 -7.112 1.00 0.00 C ATOM 573 CG2 ILE A 133 78.081 17.011 -6.626 1.00 0.00 C ATOM 574 CD1 ILE A 133 78.752 19.347 -8.189 1.00 0.00 C ATOM 0 H ILE A 133 75.621 16.037 -7.080 1.00 0.00 H new ATOM 0 HA ILE A 133 75.806 18.544 -8.710 1.00 0.00 H new ATOM 0 HB ILE A 133 76.286 18.095 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 133 76.929 20.177 -7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 133 78.114 19.745 -6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 133 78.585 17.283 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 133 77.609 16.035 -6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 133 78.810 16.967 -7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 133 79.226 20.322 -8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 133 79.502 18.611 -7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 133 78.299 19.050 -9.135 1.00 0.00 H new ATOM 586 N THR A 134 77.667 15.912 -9.192 1.00 0.00 N ATOM 587 CA THR A 134 78.632 15.342 -10.173 1.00 0.00 C ATOM 588 C THR A 134 77.875 14.764 -11.371 1.00 0.00 C ATOM 589 O THR A 134 78.464 14.257 -12.306 1.00 0.00 O ATOM 590 CB THR A 134 79.372 14.233 -9.418 1.00 0.00 C ATOM 591 OG1 THR A 134 79.005 14.264 -8.044 1.00 0.00 O ATOM 592 CG2 THR A 134 80.879 14.446 -9.548 1.00 0.00 C ATOM 0 H THR A 134 77.342 15.264 -8.474 1.00 0.00 H new ATOM 0 HA THR A 134 79.321 16.093 -10.558 1.00 0.00 H new ATOM 0 HB THR A 134 79.104 13.265 -9.842 1.00 0.00 H new ATOM 0 HG1 THR A 134 79.375 13.479 -7.589 1.00 0.00 H new ATOM 0 HG21 THR A 134 81.406 13.657 -9.011 1.00 0.00 H new ATOM 0 HG22 THR A 134 81.161 14.419 -10.601 1.00 0.00 H new ATOM 0 HG23 THR A 134 81.147 15.414 -9.125 1.00 0.00 H new ATOM 600 N GLY A 135 76.571 14.840 -11.352 1.00 0.00 N ATOM 601 CA GLY A 135 75.776 14.298 -12.488 1.00 0.00 C ATOM 602 C GLY A 135 75.969 12.784 -12.567 1.00 0.00 C ATOM 603 O GLY A 135 75.728 12.169 -13.586 1.00 0.00 O ATOM 0 H GLY A 135 76.023 15.254 -10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 135 74.721 14.534 -12.353 1.00 0.00 H new ATOM 0 HA3 GLY A 135 76.090 14.765 -13.421 1.00 0.00 H new ATOM 607 N ARG A 136 76.404 12.179 -11.497 1.00 0.00 N ATOM 608 CA ARG A 136 76.615 10.704 -11.510 1.00 0.00 C ATOM 609 C ARG A 136 75.526 10.005 -10.691 1.00 0.00 C ATOM 610 O ARG A 136 75.730 8.933 -10.157 1.00 0.00 O ATOM 611 CB ARG A 136 77.989 10.494 -10.871 1.00 0.00 C ATOM 612 CG ARG A 136 78.922 9.813 -11.874 1.00 0.00 C ATOM 613 CD ARG A 136 79.553 8.576 -11.227 1.00 0.00 C ATOM 614 NE ARG A 136 80.945 8.529 -11.758 1.00 0.00 N ATOM 615 CZ ARG A 136 81.344 7.501 -12.456 1.00 0.00 C ATOM 616 NH1 ARG A 136 81.020 6.292 -12.081 1.00 0.00 N ATOM 617 NH2 ARG A 136 82.066 7.679 -13.528 1.00 0.00 N ATOM 0 H ARG A 136 76.622 12.641 -10.615 1.00 0.00 H new ATOM 0 HA ARG A 136 76.567 10.289 -12.517 1.00 0.00 H new ATOM 0 HB2 ARG A 136 78.408 11.452 -10.562 1.00 0.00 H new ATOM 0 HB3 ARG A 136 77.894 9.883 -9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 136 78.366 9.526 -12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 136 79.700 10.507 -12.192 1.00 0.00 H new ATOM 0 HD2 ARG A 136 79.548 8.654 -10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 136 79.002 7.672 -11.485 1.00 0.00 H new ATOM 0 HE ARG A 136 81.586 9.301 -11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 136 80.455 6.152 -11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 136 81.332 5.488 -12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 136 82.319 8.622 -13.821 1.00 0.00 H new ATOM 0 HH22 ARG A 136 82.377 6.875 -14.073 1.00 0.00 H new ATOM 631 N SER A 137 74.368 10.600 -10.597 1.00 0.00 N ATOM 632 CA SER A 137 73.265 9.960 -9.819 1.00 0.00 C ATOM 633 C SER A 137 72.700 8.779 -10.616 1.00 0.00 C ATOM 634 O SER A 137 72.446 8.886 -11.799 1.00 0.00 O ATOM 635 CB SER A 137 72.198 11.053 -9.658 1.00 0.00 C ATOM 636 OG SER A 137 72.796 12.327 -9.853 1.00 0.00 O ATOM 0 H SER A 137 74.137 11.498 -11.023 1.00 0.00 H new ATOM 0 HA SER A 137 73.600 9.579 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 137 71.395 10.902 -10.379 1.00 0.00 H new ATOM 0 HB3 SER A 137 71.751 10.997 -8.666 1.00 0.00 H new ATOM 0 HG SER A 137 72.213 13.022 -9.483 1.00 0.00 H new ATOM 642 N ARG A 138 72.503 7.650 -9.989 1.00 0.00 N ATOM 643 CA ARG A 138 71.958 6.479 -10.737 1.00 0.00 C ATOM 644 C ARG A 138 70.590 6.066 -10.181 1.00 0.00 C ATOM 645 O ARG A 138 69.963 5.149 -10.674 1.00 0.00 O ATOM 646 CB ARG A 138 72.984 5.366 -10.544 1.00 0.00 C ATOM 647 CG ARG A 138 74.338 5.822 -11.090 1.00 0.00 C ATOM 648 CD ARG A 138 74.796 4.861 -12.190 1.00 0.00 C ATOM 649 NE ARG A 138 74.188 5.389 -13.442 1.00 0.00 N ATOM 650 CZ ARG A 138 73.832 4.567 -14.391 1.00 0.00 C ATOM 651 NH1 ARG A 138 72.815 3.768 -14.215 1.00 0.00 N ATOM 652 NH2 ARG A 138 74.495 4.541 -15.515 1.00 0.00 N ATOM 0 H ARG A 138 72.694 7.488 -9.000 1.00 0.00 H new ATOM 0 HA ARG A 138 71.803 6.707 -11.792 1.00 0.00 H new ATOM 0 HB2 ARG A 138 73.071 5.116 -9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 138 72.658 4.462 -11.059 1.00 0.00 H new ATOM 0 HG2 ARG A 138 74.260 6.834 -11.486 1.00 0.00 H new ATOM 0 HG3 ARG A 138 75.075 5.850 -10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 138 75.883 4.832 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 138 74.463 3.843 -11.988 1.00 0.00 H new ATOM 0 HE ARG A 138 74.050 6.393 -13.558 1.00 0.00 H new ATOM 0 HH11 ARG A 138 72.298 3.786 -13.336 1.00 0.00 H new ATOM 0 HH12 ARG A 138 72.537 3.126 -14.957 1.00 0.00 H new ATOM 0 HH21 ARG A 138 75.292 5.163 -15.652 1.00 0.00 H new ATOM 0 HH22 ARG A 138 74.217 3.898 -16.257 1.00 0.00 H new ATOM 666 N GLY A 139 70.109 6.747 -9.176 1.00 0.00 N ATOM 667 CA GLY A 139 68.769 6.402 -8.617 1.00 0.00 C ATOM 668 C GLY A 139 68.881 5.386 -7.470 1.00 0.00 C ATOM 669 O GLY A 139 67.882 4.916 -6.964 1.00 0.00 O ATOM 0 H GLY A 139 70.584 7.525 -8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.280 7.307 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 139 68.139 5.993 -9.407 1.00 0.00 H new ATOM 673 N PHE A 140 70.066 5.046 -7.034 1.00 0.00 N ATOM 674 CA PHE A 140 70.167 4.071 -5.903 1.00 0.00 C ATOM 675 C PHE A 140 71.415 4.330 -5.060 1.00 0.00 C ATOM 676 O PHE A 140 72.073 5.333 -5.209 1.00 0.00 O ATOM 677 CB PHE A 140 70.205 2.678 -6.535 1.00 0.00 C ATOM 678 CG PHE A 140 71.347 2.562 -7.517 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.634 2.242 -7.065 1.00 0.00 C ATOM 680 CD2 PHE A 140 71.113 2.752 -8.883 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.687 2.117 -7.981 1.00 0.00 C ATOM 682 CE2 PHE A 140 72.165 2.624 -9.797 1.00 0.00 C ATOM 683 CZ PHE A 140 73.450 2.307 -9.347 1.00 0.00 C ATOM 0 H PHE A 140 70.952 5.392 -7.402 1.00 0.00 H new ATOM 0 HA PHE A 140 69.318 4.169 -5.226 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.312 1.924 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.262 2.479 -7.043 1.00 0.00 H new ATOM 0 HD1 PHE A 140 72.814 2.092 -6.011 1.00 0.00 H new ATOM 0 HD2 PHE A 140 70.121 2.997 -9.232 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.680 1.874 -7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 140 71.984 2.770 -10.852 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.260 2.209 -10.054 1.00 0.00 H new ATOM 693 N GLY A 141 71.724 3.431 -4.163 1.00 0.00 N ATOM 694 CA GLY A 141 72.918 3.611 -3.285 1.00 0.00 C ATOM 695 C GLY A 141 73.286 2.259 -2.659 1.00 0.00 C ATOM 696 O GLY A 141 72.835 1.221 -3.103 1.00 0.00 O ATOM 0 H GLY A 141 71.197 2.573 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 141 73.756 3.998 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 141 72.705 4.342 -2.505 1.00 0.00 H new ATOM 700 N PHE A 142 74.100 2.254 -1.634 1.00 0.00 N ATOM 701 CA PHE A 142 74.484 0.955 -0.998 1.00 0.00 C ATOM 702 C PHE A 142 74.542 1.079 0.528 1.00 0.00 C ATOM 703 O PHE A 142 74.551 2.161 1.082 1.00 0.00 O ATOM 704 CB PHE A 142 75.884 0.639 -1.525 1.00 0.00 C ATOM 705 CG PHE A 142 75.805 0.078 -2.918 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.467 0.909 -3.991 1.00 0.00 C ATOM 707 CD2 PHE A 142 76.073 -1.278 -3.136 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.397 0.386 -5.282 1.00 0.00 C ATOM 709 CE2 PHE A 142 76.003 -1.803 -4.433 1.00 0.00 C ATOM 710 CZ PHE A 142 75.663 -0.967 -5.506 1.00 0.00 C ATOM 0 H PHE A 142 74.513 3.086 -1.212 1.00 0.00 H new ATOM 0 HA PHE A 142 73.756 0.179 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.493 1.543 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.375 -0.076 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.260 1.955 -3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.333 -1.918 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 142 75.137 1.028 -6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 142 76.210 -2.849 -4.606 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.607 -1.369 -6.507 1.00 0.00 H new ATOM 720 N VAL A 143 74.611 -0.038 1.201 1.00 0.00 N ATOM 721 CA VAL A 143 74.701 -0.032 2.690 1.00 0.00 C ATOM 722 C VAL A 143 75.505 -1.249 3.141 1.00 0.00 C ATOM 723 O VAL A 143 75.303 -2.353 2.675 1.00 0.00 O ATOM 724 CB VAL A 143 73.253 -0.102 3.189 1.00 0.00 C ATOM 725 CG1 VAL A 143 73.213 -0.701 4.599 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.664 1.309 3.227 1.00 0.00 C ATOM 0 H VAL A 143 74.609 -0.966 0.777 1.00 0.00 H new ATOM 0 HA VAL A 143 75.201 0.853 3.084 1.00 0.00 H new ATOM 0 HB VAL A 143 72.672 -0.731 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 143 72.181 -0.747 4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.634 -1.706 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.796 -0.077 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.634 1.264 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 143 73.253 1.931 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.685 1.739 2.226 1.00 0.00 H new ATOM 736 N LEU A 144 76.425 -1.044 4.034 1.00 0.00 N ATOM 737 CA LEU A 144 77.266 -2.166 4.514 1.00 0.00 C ATOM 738 C LEU A 144 77.009 -2.398 6.006 1.00 0.00 C ATOM 739 O LEU A 144 77.593 -1.754 6.856 1.00 0.00 O ATOM 740 CB LEU A 144 78.687 -1.670 4.264 1.00 0.00 C ATOM 741 CG LEU A 144 79.120 -2.009 2.831 1.00 0.00 C ATOM 742 CD1 LEU A 144 79.460 -3.496 2.736 1.00 0.00 C ATOM 743 CD2 LEU A 144 77.986 -1.686 1.849 1.00 0.00 C ATOM 0 H LEU A 144 76.632 -0.139 4.456 1.00 0.00 H new ATOM 0 HA LEU A 144 77.066 -3.116 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.737 -0.593 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.371 -2.129 4.977 1.00 0.00 H new ATOM 0 HG LEU A 144 79.997 -1.414 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 144 79.767 -3.735 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 144 80.273 -3.728 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.583 -4.087 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 144 78.302 -1.930 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 144 77.104 -2.274 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 144 77.744 -0.625 1.908 1.00 0.00 H new ATOM 755 N PHE A 145 76.121 -3.300 6.326 1.00 0.00 N ATOM 756 CA PHE A 145 75.804 -3.558 7.760 1.00 0.00 C ATOM 757 C PHE A 145 76.944 -4.310 8.446 1.00 0.00 C ATOM 758 O PHE A 145 77.787 -4.908 7.807 1.00 0.00 O ATOM 759 CB PHE A 145 74.533 -4.402 7.740 1.00 0.00 C ATOM 760 CG PHE A 145 73.332 -3.487 7.770 1.00 0.00 C ATOM 761 CD1 PHE A 145 73.126 -2.642 8.868 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.434 -3.473 6.698 1.00 0.00 C ATOM 763 CE1 PHE A 145 72.022 -1.784 8.893 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.327 -2.616 6.723 1.00 0.00 C ATOM 765 CZ PHE A 145 71.122 -1.771 7.821 1.00 0.00 C ATOM 0 H PHE A 145 75.602 -3.869 5.657 1.00 0.00 H new ATOM 0 HA PHE A 145 75.671 -2.632 8.319 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.509 -5.025 6.846 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.515 -5.075 8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.820 -2.653 9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.594 -4.123 5.851 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.864 -1.132 9.739 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.632 -2.607 5.896 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.269 -1.109 7.841 1.00 0.00 H new ATOM 775 N LYS A 146 76.976 -4.269 9.748 1.00 0.00 N ATOM 776 CA LYS A 146 78.063 -4.965 10.498 1.00 0.00 C ATOM 777 C LYS A 146 77.771 -6.463 10.633 1.00 0.00 C ATOM 778 O LYS A 146 78.662 -7.284 10.538 1.00 0.00 O ATOM 779 CB LYS A 146 78.076 -4.296 11.873 1.00 0.00 C ATOM 780 CG LYS A 146 78.927 -5.119 12.844 1.00 0.00 C ATOM 781 CD LYS A 146 80.409 -4.922 12.519 1.00 0.00 C ATOM 782 CE LYS A 146 81.264 -5.566 13.614 1.00 0.00 C ATOM 783 NZ LYS A 146 82.459 -4.685 13.737 1.00 0.00 N ATOM 0 H LYS A 146 76.294 -3.782 10.329 1.00 0.00 H new ATOM 0 HA LYS A 146 79.023 -4.887 9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.476 -3.285 11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.058 -4.206 12.253 1.00 0.00 H new ATOM 0 HG2 LYS A 146 78.725 -4.812 13.870 1.00 0.00 H new ATOM 0 HG3 LYS A 146 78.665 -6.174 12.769 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.642 -5.368 11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 146 80.637 -3.859 12.443 1.00 0.00 H new ATOM 0 HE2 LYS A 146 80.719 -5.626 14.556 1.00 0.00 H new ATOM 0 HE3 LYS A 146 81.549 -6.583 13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 83.094 -5.061 14.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 82.961 -4.652 12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 82.157 -3.725 14.000 1.00 0.00 H new ATOM 797 N GLU A 147 76.540 -6.834 10.866 1.00 0.00 N ATOM 798 CA GLU A 147 76.228 -8.288 11.018 1.00 0.00 C ATOM 799 C GLU A 147 74.991 -8.668 10.201 1.00 0.00 C ATOM 800 O GLU A 147 74.176 -7.836 9.860 1.00 0.00 O ATOM 801 CB GLU A 147 75.968 -8.492 12.516 1.00 0.00 C ATOM 802 CG GLU A 147 75.164 -7.312 13.069 1.00 0.00 C ATOM 803 CD GLU A 147 74.317 -7.776 14.255 1.00 0.00 C ATOM 804 OE1 GLU A 147 74.871 -7.931 15.330 1.00 0.00 O ATOM 805 OE2 GLU A 147 73.127 -7.967 14.067 1.00 0.00 O ATOM 0 H GLU A 147 75.744 -6.203 10.957 1.00 0.00 H new ATOM 0 HA GLU A 147 77.043 -8.915 10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 147 75.423 -9.422 12.676 1.00 0.00 H new ATOM 0 HB3 GLU A 147 76.914 -8.581 13.050 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.838 -6.515 13.381 1.00 0.00 H new ATOM 0 HG3 GLU A 147 74.522 -6.900 12.290 1.00 0.00 H new ATOM 812 N SER A 148 74.848 -9.926 9.885 1.00 0.00 N ATOM 813 CA SER A 148 73.665 -10.368 9.093 1.00 0.00 C ATOM 814 C SER A 148 72.380 -10.111 9.885 1.00 0.00 C ATOM 815 O SER A 148 71.322 -9.907 9.323 1.00 0.00 O ATOM 816 CB SER A 148 73.871 -11.866 8.874 1.00 0.00 C ATOM 817 OG SER A 148 73.959 -12.516 10.135 1.00 0.00 O ATOM 0 H SER A 148 75.500 -10.668 10.141 1.00 0.00 H new ATOM 0 HA SER A 148 73.572 -9.830 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 148 73.044 -12.278 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 148 74.780 -12.040 8.298 1.00 0.00 H new ATOM 0 HG SER A 148 74.089 -13.478 9.999 1.00 0.00 H new ATOM 823 N GLU A 149 72.468 -10.115 11.188 1.00 0.00 N ATOM 824 CA GLU A 149 71.254 -9.865 12.016 1.00 0.00 C ATOM 825 C GLU A 149 70.746 -8.442 11.773 1.00 0.00 C ATOM 826 O GLU A 149 69.563 -8.211 11.619 1.00 0.00 O ATOM 827 CB GLU A 149 71.715 -10.036 13.465 1.00 0.00 C ATOM 828 CG GLU A 149 71.237 -11.389 14.001 1.00 0.00 C ATOM 829 CD GLU A 149 72.303 -11.978 14.927 1.00 0.00 C ATOM 830 OE1 GLU A 149 73.450 -12.043 14.514 1.00 0.00 O ATOM 831 OE2 GLU A 149 71.956 -12.353 16.035 1.00 0.00 O ATOM 0 H GLU A 149 73.326 -10.280 11.714 1.00 0.00 H new ATOM 0 HA GLU A 149 70.436 -10.544 11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.802 -9.975 13.521 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.318 -9.229 14.081 1.00 0.00 H new ATOM 0 HG2 GLU A 149 70.298 -11.267 14.541 1.00 0.00 H new ATOM 0 HG3 GLU A 149 71.042 -12.071 13.174 1.00 0.00 H new ATOM 838 N SER A 150 71.632 -7.484 11.727 1.00 0.00 N ATOM 839 CA SER A 150 71.192 -6.081 11.482 1.00 0.00 C ATOM 840 C SER A 150 70.580 -5.970 10.082 1.00 0.00 C ATOM 841 O SER A 150 69.570 -5.318 9.879 1.00 0.00 O ATOM 842 CB SER A 150 72.463 -5.235 11.585 1.00 0.00 C ATOM 843 OG SER A 150 73.502 -5.845 10.830 1.00 0.00 O ATOM 0 H SER A 150 72.637 -7.611 11.848 1.00 0.00 H new ATOM 0 HA SER A 150 70.435 -5.752 12.193 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.273 -4.228 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.765 -5.139 12.628 1.00 0.00 H new ATOM 0 HG SER A 150 73.213 -6.733 10.534 1.00 0.00 H new ATOM 849 N VAL A 151 71.178 -6.611 9.115 1.00 0.00 N ATOM 850 CA VAL A 151 70.623 -6.548 7.733 1.00 0.00 C ATOM 851 C VAL A 151 69.254 -7.231 7.697 1.00 0.00 C ATOM 852 O VAL A 151 68.308 -6.713 7.135 1.00 0.00 O ATOM 853 CB VAL A 151 71.619 -7.300 6.847 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.394 -6.903 5.387 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.050 -6.938 7.253 1.00 0.00 C ATOM 0 H VAL A 151 72.023 -7.173 9.221 1.00 0.00 H new ATOM 0 HA VAL A 151 70.488 -5.521 7.393 1.00 0.00 H new ATOM 0 HB VAL A 151 71.470 -8.373 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.101 -7.436 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.377 -7.160 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.544 -5.829 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 151 73.755 -7.476 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.201 -5.865 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.214 -7.215 8.294 1.00 0.00 H new ATOM 865 N ASP A 152 69.134 -8.386 8.296 1.00 0.00 N ATOM 866 CA ASP A 152 67.817 -9.083 8.293 1.00 0.00 C ATOM 867 C ASP A 152 66.745 -8.136 8.842 1.00 0.00 C ATOM 868 O ASP A 152 65.617 -8.127 8.390 1.00 0.00 O ATOM 869 CB ASP A 152 68.009 -10.327 9.183 1.00 0.00 C ATOM 870 CG ASP A 152 67.534 -10.060 10.620 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.368 -9.744 10.790 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.344 -10.187 11.523 1.00 0.00 O ATOM 0 H ASP A 152 69.886 -8.873 8.784 1.00 0.00 H new ATOM 0 HA ASP A 152 67.489 -9.379 7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.454 -11.167 8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.061 -10.612 9.192 1.00 0.00 H new ATOM 877 N LYS A 153 67.099 -7.331 9.806 1.00 0.00 N ATOM 878 CA LYS A 153 66.110 -6.373 10.376 1.00 0.00 C ATOM 879 C LYS A 153 65.670 -5.391 9.289 1.00 0.00 C ATOM 880 O LYS A 153 64.503 -5.091 9.146 1.00 0.00 O ATOM 881 CB LYS A 153 66.856 -5.645 11.493 1.00 0.00 C ATOM 882 CG LYS A 153 65.856 -5.165 12.547 1.00 0.00 C ATOM 883 CD LYS A 153 66.570 -4.992 13.889 1.00 0.00 C ATOM 884 CE LYS A 153 65.547 -5.066 15.025 1.00 0.00 C ATOM 885 NZ LYS A 153 66.227 -5.833 16.106 1.00 0.00 N ATOM 0 H LYS A 153 68.029 -7.295 10.223 1.00 0.00 H new ATOM 0 HA LYS A 153 65.214 -6.866 10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.589 -6.310 11.949 1.00 0.00 H new ATOM 0 HB3 LYS A 153 67.406 -4.797 11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 153 65.410 -4.220 12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 153 65.043 -5.884 12.646 1.00 0.00 H new ATOM 0 HD2 LYS A 153 67.325 -5.768 14.014 1.00 0.00 H new ATOM 0 HD3 LYS A 153 67.090 -4.034 13.916 1.00 0.00 H new ATOM 0 HE2 LYS A 153 65.263 -4.070 15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 153 64.633 -5.565 14.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 65.587 -5.926 16.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 66.480 -6.779 15.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 67.089 -5.331 16.398 1.00 0.00 H new ATOM 899 N VAL A 154 66.597 -4.895 8.516 1.00 0.00 N ATOM 900 CA VAL A 154 66.227 -3.938 7.431 1.00 0.00 C ATOM 901 C VAL A 154 65.352 -4.637 6.390 1.00 0.00 C ATOM 902 O VAL A 154 64.378 -4.088 5.913 1.00 0.00 O ATOM 903 CB VAL A 154 67.557 -3.509 6.809 1.00 0.00 C ATOM 904 CG1 VAL A 154 67.320 -2.362 5.825 1.00 0.00 C ATOM 905 CG2 VAL A 154 68.505 -3.044 7.914 1.00 0.00 C ATOM 0 H VAL A 154 67.592 -5.109 8.587 1.00 0.00 H new ATOM 0 HA VAL A 154 65.659 -3.087 7.807 1.00 0.00 H new ATOM 0 HB VAL A 154 67.998 -4.353 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 154 68.270 -2.059 5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 154 66.643 -2.692 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 154 66.878 -1.516 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 154 69.454 -2.738 7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 154 68.061 -2.201 8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 154 68.677 -3.862 8.614 1.00 0.00 H new ATOM 915 N MET A 155 65.692 -5.846 6.034 1.00 0.00 N ATOM 916 CA MET A 155 64.878 -6.580 5.025 1.00 0.00 C ATOM 917 C MET A 155 63.540 -6.996 5.637 1.00 0.00 C ATOM 918 O MET A 155 62.577 -7.242 4.938 1.00 0.00 O ATOM 919 CB MET A 155 65.709 -7.811 4.663 1.00 0.00 C ATOM 920 CG MET A 155 65.309 -8.305 3.270 1.00 0.00 C ATOM 921 SD MET A 155 66.379 -9.684 2.789 1.00 0.00 S ATOM 922 CE MET A 155 65.092 -10.953 2.689 1.00 0.00 C ATOM 0 H MET A 155 66.497 -6.356 6.398 1.00 0.00 H new ATOM 0 HA MET A 155 64.654 -5.971 4.149 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.771 -7.565 4.682 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.551 -8.599 5.399 1.00 0.00 H new ATOM 0 HG2 MET A 155 64.266 -8.623 3.271 1.00 0.00 H new ATOM 0 HG3 MET A 155 65.395 -7.494 2.546 1.00 0.00 H new ATOM 0 HE1 MET A 155 65.520 -11.925 2.932 1.00 0.00 H new ATOM 0 HE2 MET A 155 64.296 -10.720 3.396 1.00 0.00 H new ATOM 0 HE3 MET A 155 64.684 -10.979 1.679 1.00 0.00 H new ATOM 932 N ASP A 156 63.467 -7.073 6.939 1.00 0.00 N ATOM 933 CA ASP A 156 62.186 -7.469 7.587 1.00 0.00 C ATOM 934 C ASP A 156 61.052 -6.581 7.060 1.00 0.00 C ATOM 935 O ASP A 156 59.917 -7.000 6.956 1.00 0.00 O ATOM 936 CB ASP A 156 62.420 -7.271 9.097 1.00 0.00 C ATOM 937 CG ASP A 156 61.868 -5.917 9.566 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.198 -4.918 8.951 1.00 0.00 O ATOM 939 OD2 ASP A 156 61.121 -5.907 10.532 1.00 0.00 O ATOM 0 H ASP A 156 64.237 -6.879 7.579 1.00 0.00 H new ATOM 0 HA ASP A 156 61.898 -8.498 7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.938 -8.076 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.487 -7.328 9.314 1.00 0.00 H new ATOM 944 N GLN A 157 61.360 -5.357 6.725 1.00 0.00 N ATOM 945 CA GLN A 157 60.308 -4.440 6.204 1.00 0.00 C ATOM 946 C GLN A 157 60.921 -3.467 5.197 1.00 0.00 C ATOM 947 O GLN A 157 61.663 -2.574 5.556 1.00 0.00 O ATOM 948 CB GLN A 157 59.789 -3.691 7.430 1.00 0.00 C ATOM 949 CG GLN A 157 58.573 -4.423 7.997 1.00 0.00 C ATOM 950 CD GLN A 157 57.323 -3.562 7.810 1.00 0.00 C ATOM 951 OE1 GLN A 157 56.668 -3.619 6.682 1.00 0.00 O flip ATOM 952 NE2 GLN A 157 56.938 -2.828 8.698 1.00 0.00 N flip ATOM 0 H GLN A 157 62.295 -4.953 6.790 1.00 0.00 H new ATOM 0 HA GLN A 157 59.508 -4.973 5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 157 60.571 -3.623 8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 157 59.519 -2.671 7.159 1.00 0.00 H new ATOM 0 HG2 GLN A 157 58.445 -5.381 7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 157 58.725 -4.636 9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 157 57.449 -2.783 9.580 1.00 0.00 H new ATOM 0 HE22 GLN A 157 56.104 -2.257 8.562 1.00 0.00 H new ATOM 961 N LYS A 158 60.624 -3.634 3.938 1.00 0.00 N ATOM 962 CA LYS A 158 61.199 -2.720 2.913 1.00 0.00 C ATOM 963 C LYS A 158 60.317 -1.494 2.730 1.00 0.00 C ATOM 964 O LYS A 158 60.207 -0.946 1.651 1.00 0.00 O ATOM 965 CB LYS A 158 61.267 -3.548 1.629 1.00 0.00 C ATOM 966 CG LYS A 158 59.881 -4.104 1.304 1.00 0.00 C ATOM 967 CD LYS A 158 59.470 -3.664 -0.101 1.00 0.00 C ATOM 968 CE LYS A 158 59.223 -4.899 -0.970 1.00 0.00 C ATOM 969 NZ LYS A 158 57.779 -5.214 -0.789 1.00 0.00 N ATOM 0 H LYS A 158 60.009 -4.363 3.576 1.00 0.00 H new ATOM 0 HA LYS A 158 62.182 -2.347 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.625 -2.931 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 158 61.979 -4.365 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 158 59.890 -5.192 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.155 -3.748 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 158 58.568 -3.053 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 158 60.251 -3.045 -0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 158 59.455 -4.699 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 158 59.851 -5.733 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 57.533 -6.051 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 57.589 -5.407 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 57.205 -4.404 -1.101 1.00 0.00 H new ATOM 983 N GLU A 159 59.734 -1.021 3.793 1.00 0.00 N ATOM 984 CA GLU A 159 58.914 0.212 3.703 1.00 0.00 C ATOM 985 C GLU A 159 59.854 1.383 3.948 1.00 0.00 C ATOM 986 O GLU A 159 59.617 2.244 4.771 1.00 0.00 O ATOM 987 CB GLU A 159 57.905 0.106 4.830 1.00 0.00 C ATOM 988 CG GLU A 159 57.078 -1.172 4.669 1.00 0.00 C ATOM 989 CD GLU A 159 55.647 -0.918 5.145 1.00 0.00 C ATOM 990 OE1 GLU A 159 55.489 -0.281 6.175 1.00 0.00 O ATOM 991 OE2 GLU A 159 54.732 -1.366 4.474 1.00 0.00 O ATOM 0 H GLU A 159 59.791 -1.438 4.722 1.00 0.00 H new ATOM 0 HA GLU A 159 58.412 0.343 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 159 58.419 0.098 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 159 57.249 0.977 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 159 57.075 -1.487 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 159 57.526 -1.982 5.245 1.00 0.00 H new ATOM 998 N HIS A 160 60.949 1.367 3.257 1.00 0.00 N ATOM 999 CA HIS A 160 61.985 2.412 3.434 1.00 0.00 C ATOM 1000 C HIS A 160 61.716 3.618 2.533 1.00 0.00 C ATOM 1001 O HIS A 160 62.127 3.651 1.392 1.00 0.00 O ATOM 1002 CB HIS A 160 63.279 1.734 3.004 1.00 0.00 C ATOM 1003 CG HIS A 160 63.665 0.687 4.003 1.00 0.00 C ATOM 1004 ND1 HIS A 160 63.007 -0.428 4.464 1.00 0.00 N flip ATOM 1005 CD2 HIS A 160 64.902 0.704 4.658 1.00 0.00 C flip ATOM 1006 CE1 HIS A 160 63.826 -1.070 5.372 1.00 0.00 C flip ATOM 1007 NE2 HIS A 160 64.948 -0.371 5.466 1.00 0.00 N flip ATOM 0 H HIS A 160 61.176 0.658 2.560 1.00 0.00 H new ATOM 0 HA HIS A 160 62.011 2.786 4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 160 63.153 1.281 2.021 1.00 0.00 H new ATOM 0 HB3 HIS A 160 64.074 2.474 2.914 1.00 0.00 H new ATOM 0 HD1 HIS A 160 62.074 -0.730 4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 160 65.678 1.445 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 160 63.594 -1.978 5.909 1.00 0.00 H new ATOM 1015 N LYS A 161 61.043 4.610 3.037 1.00 0.00 N ATOM 1016 CA LYS A 161 60.763 5.812 2.202 1.00 0.00 C ATOM 1017 C LYS A 161 61.697 6.959 2.596 1.00 0.00 C ATOM 1018 O LYS A 161 61.361 7.790 3.418 1.00 0.00 O ATOM 1019 CB LYS A 161 59.309 6.173 2.505 1.00 0.00 C ATOM 1020 CG LYS A 161 58.385 5.128 1.881 1.00 0.00 C ATOM 1021 CD LYS A 161 57.013 5.187 2.555 1.00 0.00 C ATOM 1022 CE LYS A 161 56.306 6.487 2.166 1.00 0.00 C ATOM 1023 NZ LYS A 161 55.924 7.118 3.460 1.00 0.00 N ATOM 0 H LYS A 161 60.675 4.643 3.988 1.00 0.00 H new ATOM 0 HA LYS A 161 60.923 5.625 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 161 59.151 6.217 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.078 7.162 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.284 5.310 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 161 58.815 4.133 1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.411 4.330 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.126 5.132 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 161 56.964 7.137 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 161 55.430 6.291 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 55.433 8.016 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 55.293 6.479 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 56.779 7.299 4.024 1.00 0.00 H new ATOM 1037 N LEU A 162 62.864 7.019 2.012 1.00 0.00 N ATOM 1038 CA LEU A 162 63.809 8.123 2.354 1.00 0.00 C ATOM 1039 C LEU A 162 63.576 9.309 1.415 1.00 0.00 C ATOM 1040 O LEU A 162 63.319 9.140 0.239 1.00 0.00 O ATOM 1041 CB LEU A 162 65.226 7.563 2.153 1.00 0.00 C ATOM 1042 CG LEU A 162 65.280 6.072 2.500 1.00 0.00 C ATOM 1043 CD1 LEU A 162 65.144 5.242 1.221 1.00 0.00 C ATOM 1044 CD2 LEU A 162 66.626 5.762 3.160 1.00 0.00 C ATOM 0 H LEU A 162 63.203 6.355 1.316 1.00 0.00 H new ATOM 0 HA LEU A 162 63.665 8.469 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.536 7.711 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 162 65.930 8.112 2.779 1.00 0.00 H new ATOM 0 HG LEU A 162 64.465 5.825 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 162 65.183 4.181 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 162 64.192 5.468 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 162 65.960 5.485 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 162 66.673 4.702 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 162 67.434 6.008 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 162 66.731 6.355 4.069 1.00 0.00 H new ATOM 1056 N ASN A 163 63.662 10.508 1.921 1.00 0.00 N ATOM 1057 CA ASN A 163 63.445 11.703 1.053 1.00 0.00 C ATOM 1058 C ASN A 163 62.139 11.555 0.265 1.00 0.00 C ATOM 1059 O ASN A 163 61.960 12.153 -0.777 1.00 0.00 O ATOM 1060 CB ASN A 163 64.644 11.729 0.103 1.00 0.00 C ATOM 1061 CG ASN A 163 65.939 11.578 0.905 1.00 0.00 C ATOM 1062 OD1 ASN A 163 66.734 10.699 0.636 1.00 0.00 O ATOM 1063 ND2 ASN A 163 66.189 12.404 1.883 1.00 0.00 N ATOM 0 H ASN A 163 63.873 10.714 2.898 1.00 0.00 H new ATOM 0 HA ASN A 163 63.365 12.623 1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 163 64.560 10.923 -0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 163 64.658 12.665 -0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 163 67.051 12.312 2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 163 65.523 13.142 2.110 1.00 0.00 H new ATOM 1070 N GLY A 164 61.223 10.765 0.756 1.00 0.00 N ATOM 1071 CA GLY A 164 59.929 10.584 0.036 1.00 0.00 C ATOM 1072 C GLY A 164 60.120 9.614 -1.131 1.00 0.00 C ATOM 1073 O GLY A 164 59.542 9.778 -2.187 1.00 0.00 O ATOM 0 H GLY A 164 61.314 10.237 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.172 10.201 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 164 59.569 11.545 -0.332 1.00 0.00 H new ATOM 1077 N LYS A 165 60.926 8.603 -0.952 1.00 0.00 N ATOM 1078 CA LYS A 165 61.150 7.626 -2.056 1.00 0.00 C ATOM 1079 C LYS A 165 61.458 6.239 -1.483 1.00 0.00 C ATOM 1080 O LYS A 165 62.221 6.099 -0.549 1.00 0.00 O ATOM 1081 CB LYS A 165 62.356 8.167 -2.826 1.00 0.00 C ATOM 1082 CG LYS A 165 62.131 7.974 -4.327 1.00 0.00 C ATOM 1083 CD LYS A 165 61.698 9.301 -4.951 1.00 0.00 C ATOM 1084 CE LYS A 165 62.787 9.796 -5.903 1.00 0.00 C ATOM 1085 NZ LYS A 165 62.973 11.234 -5.561 1.00 0.00 N ATOM 0 H LYS A 165 61.438 8.411 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 165 60.273 7.518 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.500 9.224 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 165 63.263 7.649 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 165 63.046 7.619 -4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 165 61.368 7.214 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 165 60.760 9.172 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 165 61.518 10.041 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 165 63.712 9.236 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 165 62.487 9.673 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 63.706 11.644 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 62.078 11.743 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 63.265 11.319 -4.566 1.00 0.00 H new ATOM 1099 N VAL A 166 60.869 5.212 -2.037 1.00 0.00 N ATOM 1100 CA VAL A 166 61.131 3.835 -1.525 1.00 0.00 C ATOM 1101 C VAL A 166 62.440 3.295 -2.109 1.00 0.00 C ATOM 1102 O VAL A 166 62.969 3.824 -3.066 1.00 0.00 O ATOM 1103 CB VAL A 166 59.944 2.999 -2.008 1.00 0.00 C ATOM 1104 CG1 VAL A 166 60.275 1.512 -1.862 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.709 3.329 -1.166 1.00 0.00 C ATOM 0 H VAL A 166 60.219 5.267 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 166 61.232 3.810 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 166 59.742 3.227 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.430 0.916 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 166 61.154 1.274 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 166 60.477 1.285 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.864 2.733 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.911 3.101 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.472 4.388 -1.268 1.00 0.00 H new ATOM 1115 N ILE A 167 62.968 2.246 -1.539 1.00 0.00 N ATOM 1116 CA ILE A 167 64.246 1.670 -2.062 1.00 0.00 C ATOM 1117 C ILE A 167 64.103 0.169 -2.303 1.00 0.00 C ATOM 1118 O ILE A 167 63.108 -0.440 -1.963 1.00 0.00 O ATOM 1119 CB ILE A 167 65.310 1.907 -0.980 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.659 1.934 0.406 1.00 0.00 C ATOM 1121 CG2 ILE A 167 66.028 3.229 -1.241 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.675 1.497 1.465 1.00 0.00 C ATOM 0 H ILE A 167 62.572 1.761 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 167 64.515 2.139 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 167 66.033 1.092 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.297 2.938 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.793 1.272 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.782 3.392 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.510 3.195 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.306 4.045 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 167 65.207 1.518 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 167 66.016 0.485 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.527 2.177 1.454 1.00 0.00 H new ATOM 1134 N ASP A 168 65.111 -0.428 -2.869 1.00 0.00 N ATOM 1135 CA ASP A 168 65.075 -1.893 -3.120 1.00 0.00 C ATOM 1136 C ASP A 168 66.232 -2.548 -2.371 1.00 0.00 C ATOM 1137 O ASP A 168 67.343 -2.600 -2.866 1.00 0.00 O ATOM 1138 CB ASP A 168 65.248 -2.052 -4.631 1.00 0.00 C ATOM 1139 CG ASP A 168 64.906 -3.486 -5.033 1.00 0.00 C ATOM 1140 OD1 ASP A 168 65.384 -4.396 -4.376 1.00 0.00 O ATOM 1141 OD2 ASP A 168 64.170 -3.651 -5.992 1.00 0.00 O ATOM 0 H ASP A 168 65.966 0.040 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 168 64.150 -2.360 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.601 -1.351 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 168 66.273 -1.817 -4.918 1.00 0.00 H new ATOM 1146 N PRO A 169 65.935 -3.010 -1.188 1.00 0.00 N ATOM 1147 CA PRO A 169 66.964 -3.652 -0.339 1.00 0.00 C ATOM 1148 C PRO A 169 67.343 -5.027 -0.890 1.00 0.00 C ATOM 1149 O PRO A 169 66.562 -5.958 -0.869 1.00 0.00 O ATOM 1150 CB PRO A 169 66.285 -3.776 1.020 1.00 0.00 C ATOM 1151 CG PRO A 169 64.820 -3.781 0.723 1.00 0.00 C ATOM 1152 CD PRO A 169 64.620 -2.978 -0.535 1.00 0.00 C ATOM 0 HA PRO A 169 67.893 -3.083 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.587 -4.691 1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.552 -2.944 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.457 -4.800 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.258 -3.347 1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.848 -3.415 -1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.309 -1.957 -0.312 1.00 0.00 H new ATOM 1160 N LYS A 170 68.544 -5.156 -1.374 1.00 0.00 N ATOM 1161 CA LYS A 170 69.001 -6.465 -1.922 1.00 0.00 C ATOM 1162 C LYS A 170 70.292 -6.882 -1.239 1.00 0.00 C ATOM 1163 O LYS A 170 71.064 -6.056 -0.805 1.00 0.00 O ATOM 1164 CB LYS A 170 69.299 -6.213 -3.391 1.00 0.00 C ATOM 1165 CG LYS A 170 68.161 -6.755 -4.258 1.00 0.00 C ATOM 1166 CD LYS A 170 68.647 -6.897 -5.703 1.00 0.00 C ATOM 1167 CE LYS A 170 67.535 -6.463 -6.662 1.00 0.00 C ATOM 1168 NZ LYS A 170 68.119 -5.338 -7.445 1.00 0.00 N ATOM 0 H LYS A 170 69.235 -4.407 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 170 68.253 -7.243 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 170 69.424 -5.145 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 170 70.238 -6.693 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 170 67.828 -7.721 -3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.304 -6.083 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 170 69.536 -6.286 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 170 68.931 -7.930 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 170 67.234 -7.283 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 170 66.646 -6.145 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 67.415 -4.986 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 68.390 -4.569 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 68.960 -5.672 -7.958 1.00 0.00 H new ATOM 1182 N ARG A 171 70.558 -8.148 -1.159 1.00 0.00 N ATOM 1183 CA ARG A 171 71.825 -8.566 -0.520 1.00 0.00 C ATOM 1184 C ARG A 171 72.924 -8.692 -1.573 1.00 0.00 C ATOM 1185 O ARG A 171 72.657 -8.814 -2.753 1.00 0.00 O ATOM 1186 CB ARG A 171 71.531 -9.909 0.145 1.00 0.00 C ATOM 1187 CG ARG A 171 70.494 -9.710 1.251 1.00 0.00 C ATOM 1188 CD ARG A 171 69.105 -10.075 0.721 1.00 0.00 C ATOM 1189 NE ARG A 171 68.636 -11.175 1.607 1.00 0.00 N ATOM 1190 CZ ARG A 171 67.802 -12.070 1.154 1.00 0.00 C ATOM 1191 NH1 ARG A 171 67.166 -11.861 0.034 1.00 0.00 N ATOM 1192 NH2 ARG A 171 67.602 -13.174 1.821 1.00 0.00 N ATOM 0 H ARG A 171 69.963 -8.902 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 171 72.177 -7.840 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 171 71.160 -10.620 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 171 72.446 -10.330 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 171 70.741 -10.331 2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 171 70.504 -8.675 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 171 68.430 -9.220 0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 171 69.151 -10.397 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 171 68.967 -11.229 2.570 1.00 0.00 H new ATOM 0 HH11 ARG A 171 67.321 -10.998 -0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 171 66.514 -12.561 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 171 68.098 -13.337 2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 171 66.950 -13.873 1.466 1.00 0.00 H new ATOM 1206 N ALA A 172 74.158 -8.649 -1.159 1.00 0.00 N ATOM 1207 CA ALA A 172 75.270 -8.750 -2.141 1.00 0.00 C ATOM 1208 C ALA A 172 76.405 -9.616 -1.589 1.00 0.00 C ATOM 1209 O ALA A 172 76.910 -9.384 -0.510 1.00 0.00 O ATOM 1210 CB ALA A 172 75.738 -7.308 -2.330 1.00 0.00 C ATOM 0 H ALA A 172 74.444 -8.548 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 172 74.957 -9.215 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 172 76.562 -7.283 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 172 74.913 -6.704 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 172 76.073 -6.906 -1.374 1.00 0.00 H new TER 1216 ALA A 172