USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=25 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 22 TYR OH : rot -32:sc= 1.38 USER MOD Set 1.2: A 102 HIS :FLIP no HD1:sc= -0.887 F(o=0.33,f=0.97) USER MOD Set 1.3: A 105 SER OG : rot -148:sc= 0.474 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.876 K(o=1.9,f=-2.5) USER MOD Set 2.2: A 119 THR OG1 : rot 58:sc= 1.07 USER MOD Set 3.1: A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.07 K(o=1.1,f=-0.35) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.07 K(o=2.4,f=-5.4!) USER MOD Set 4.2: A 40 SER OG : rot -109:sc= 1.31 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 1.19 (180deg=1.13) USER MOD Single : A 29 SER OG : rot 180:sc=-0.00587 USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= 1.68 (180deg=0.856) USER MOD Single : A 47 TYR OH : rot -176:sc= 1.05 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.21) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.889 K(o=0.89,f=-4.8!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.109 (180deg=0.000777) USER MOD Single : A 61 SER OG : rot 167:sc= 0.81 USER MOD Single : A 65 GLN : amide:sc= 1.07 K(o=1.1,f=-0.61) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 170:sc= 0.0075 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.97 USER MOD Single : A 73 CYS SG : rot 140:sc= 0.633 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.146 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.385 USER MOD Single : A 95 MET CE :methyl 174:sc= 0 (180deg=-0.0431) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 170:sc= 0.0117 USER MOD Single : A 108 LYS NZ :NH3+ 144:sc= 1.79 (180deg=0.0134) USER MOD Single : A 110 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.694 -8.897 15.668 1.00 0.00 N ATOM 47 CA ALA A 4 -7.107 -9.151 14.355 1.00 0.00 C ATOM 48 C ALA A 4 -5.763 -9.885 14.498 1.00 0.00 C ATOM 49 O ALA A 4 -5.325 -10.207 15.604 1.00 0.00 O ATOM 50 CB ALA A 4 -6.952 -7.818 13.607 1.00 0.00 C ATOM 0 HA ALA A 4 -7.765 -9.799 13.775 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.514 -8.000 12.626 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.930 -7.352 13.487 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.302 -7.154 14.177 1.00 0.00 H new ATOM 56 N ASP A 5 -5.086 -10.112 13.373 1.00 0.00 N ATOM 57 CA ASP A 5 -3.711 -10.598 13.290 1.00 0.00 C ATOM 58 C ASP A 5 -3.138 -10.066 11.977 1.00 0.00 C ATOM 59 O ASP A 5 -3.896 -9.857 11.026 1.00 0.00 O ATOM 60 CB ASP A 5 -3.673 -12.132 13.304 1.00 0.00 C ATOM 61 CG ASP A 5 -2.231 -12.642 13.164 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.534 -12.772 14.195 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.787 -12.886 12.022 1.00 0.00 O ATOM 0 H ASP A 5 -5.500 -9.955 12.454 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.128 -10.255 14.144 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.106 -12.503 14.233 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.283 -12.523 12.490 1.00 0.00 H new ATOM 68 N LEU A 6 -1.823 -9.844 11.898 1.00 0.00 N ATOM 69 CA LEU A 6 -1.177 -9.267 10.722 1.00 0.00 C ATOM 70 C LEU A 6 -1.462 -10.062 9.447 1.00 0.00 C ATOM 71 O LEU A 6 -1.594 -9.459 8.379 1.00 0.00 O ATOM 72 CB LEU A 6 0.342 -9.174 10.941 1.00 0.00 C ATOM 73 CG LEU A 6 0.802 -8.189 12.032 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.332 -8.203 12.119 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.310 -6.760 11.783 1.00 0.00 C ATOM 0 H LEU A 6 -1.175 -10.062 12.655 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.596 -8.270 10.589 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.715 -10.167 11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.809 -8.888 9.999 1.00 0.00 H new ATOM 0 HG LEU A 6 0.364 -8.518 12.974 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.659 -7.506 12.891 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.673 -9.208 12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.754 -7.905 11.159 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.664 -6.109 12.582 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.695 -6.404 10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.780 -6.749 11.761 1.00 0.00 H new ATOM 87 N ALA A 7 -1.579 -11.391 9.532 1.00 0.00 N ATOM 88 CA ALA A 7 -1.866 -12.233 8.381 1.00 0.00 C ATOM 89 C ALA A 7 -3.285 -12.009 7.842 1.00 0.00 C ATOM 90 O ALA A 7 -3.536 -12.270 6.664 1.00 0.00 O ATOM 91 CB ALA A 7 -1.669 -13.706 8.754 1.00 0.00 C ATOM 0 H ALA A 7 -1.476 -11.908 10.405 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.171 -11.958 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.885 -14.333 7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.638 -13.867 9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.343 -13.968 9.569 1.00 0.00 H new ATOM 97 N LEU A 8 -4.215 -11.546 8.686 1.00 0.00 N ATOM 98 CA LEU A 8 -5.610 -11.332 8.311 1.00 0.00 C ATOM 99 C LEU A 8 -5.801 -9.976 7.628 1.00 0.00 C ATOM 100 O LEU A 8 -6.787 -9.808 6.910 1.00 0.00 O ATOM 101 CB LEU A 8 -6.530 -11.421 9.545 1.00 0.00 C ATOM 102 CG LEU A 8 -6.530 -12.788 10.259 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.397 -12.711 11.521 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.045 -13.920 9.361 1.00 0.00 C ATOM 0 H LEU A 8 -4.014 -11.308 9.657 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.880 -12.119 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.230 -10.655 10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.549 -11.188 9.237 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.496 -13.016 10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.395 -13.678 12.023 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.995 -11.952 12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.418 -12.447 11.245 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.024 -14.860 9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.068 -13.703 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.410 -14.002 8.479 1.00 0.00 H new ATOM 116 N ILE A 9 -4.894 -9.012 7.835 1.00 0.00 N ATOM 117 CA ILE A 9 -4.978 -7.705 7.184 1.00 0.00 C ATOM 118 C ILE A 9 -4.793 -7.936 5.673 1.00 0.00 C ATOM 119 O ILE A 9 -3.785 -8.550 5.297 1.00 0.00 O ATOM 120 CB ILE A 9 -3.918 -6.713 7.724 1.00 0.00 C ATOM 121 CG1 ILE A 9 -3.931 -6.615 9.268 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.156 -5.315 7.120 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.756 -5.825 9.856 1.00 0.00 C ATOM 0 H ILE A 9 -4.090 -9.118 8.453 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.947 -7.252 7.395 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.941 -7.094 7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.863 -6.147 9.584 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.923 -7.622 9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.408 -4.621 7.503 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.078 -5.370 6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.151 -4.964 7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.840 -5.803 10.943 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.818 -6.303 9.574 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.774 -4.806 9.470 1.00 0.00 H new ATOM 135 N PRO A 10 -5.705 -7.440 4.812 1.00 0.00 N ATOM 136 CA PRO A 10 -5.534 -7.442 3.365 1.00 0.00 C ATOM 137 C PRO A 10 -4.155 -6.922 2.972 1.00 0.00 C ATOM 138 O PRO A 10 -3.768 -5.819 3.370 1.00 0.00 O ATOM 139 CB PRO A 10 -6.645 -6.543 2.818 1.00 0.00 C ATOM 140 CG PRO A 10 -7.755 -6.698 3.851 1.00 0.00 C ATOM 141 CD PRO A 10 -6.973 -6.809 5.157 1.00 0.00 C ATOM 0 HA PRO A 10 -5.600 -8.450 2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.318 -5.507 2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.969 -6.861 1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.430 -5.842 3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.363 -7.583 3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.812 -5.826 5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.519 -7.404 5.889 1.00 0.00 H new ATOM 149 N ASP A 11 -3.405 -7.702 2.196 1.00 0.00 N ATOM 150 CA ASP A 11 -2.017 -7.377 1.877 1.00 0.00 C ATOM 151 C ASP A 11 -1.941 -6.270 0.822 1.00 0.00 C ATOM 152 O ASP A 11 -1.139 -5.341 0.931 1.00 0.00 O ATOM 153 CB ASP A 11 -1.292 -8.644 1.414 1.00 0.00 C ATOM 154 CG ASP A 11 0.212 -8.493 1.626 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.647 -8.538 2.797 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.969 -8.336 0.646 1.00 0.00 O ATOM 0 H ASP A 11 -3.738 -8.569 1.774 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.523 -6.999 2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.661 -9.507 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.502 -8.829 0.361 1.00 0.00 H new ATOM 161 N VAL A 12 -2.875 -6.289 -0.134 1.00 0.00 N ATOM 162 CA VAL A 12 -3.020 -5.299 -1.195 1.00 0.00 C ATOM 163 C VAL A 12 -4.520 -5.072 -1.378 1.00 0.00 C ATOM 164 O VAL A 12 -5.284 -6.034 -1.476 1.00 0.00 O ATOM 165 CB VAL A 12 -2.372 -5.813 -2.500 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.479 -4.791 -3.642 1.00 0.00 C ATOM 167 CG2 VAL A 12 -0.896 -6.175 -2.327 1.00 0.00 C ATOM 0 H VAL A 12 -3.577 -7.027 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.519 -4.365 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.934 -6.712 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.010 -5.197 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.529 -4.581 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.974 -3.869 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.495 -6.530 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.341 -5.294 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.799 -6.960 -1.577 1.00 0.00 H new ATOM 177 N ASP A 13 -4.934 -3.809 -1.447 1.00 0.00 N ATOM 178 CA ASP A 13 -6.279 -3.390 -1.831 1.00 0.00 C ATOM 179 C ASP A 13 -6.113 -1.982 -2.379 1.00 0.00 C ATOM 180 O ASP A 13 -5.577 -1.120 -1.679 1.00 0.00 O ATOM 181 CB ASP A 13 -7.260 -3.386 -0.652 1.00 0.00 C ATOM 182 CG ASP A 13 -8.593 -2.746 -1.077 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.302 -3.342 -1.918 1.00 0.00 O ATOM 184 OD2 ASP A 13 -8.941 -1.656 -0.570 1.00 0.00 O ATOM 0 H ASP A 13 -4.321 -3.023 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.702 -4.084 -2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.431 -4.406 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.833 -2.834 0.185 1.00 0.00 H new ATOM 189 N ILE A 14 -6.477 -1.780 -3.644 1.00 0.00 N ATOM 190 CA ILE A 14 -6.220 -0.557 -4.390 1.00 0.00 C ATOM 191 C ILE A 14 -7.383 -0.290 -5.353 1.00 0.00 C ATOM 192 O ILE A 14 -8.168 -1.184 -5.686 1.00 0.00 O ATOM 193 CB ILE A 14 -4.845 -0.606 -5.121 1.00 0.00 C ATOM 194 CG1 ILE A 14 -4.426 -1.947 -5.774 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.712 -0.222 -4.153 1.00 0.00 C ATOM 196 CD1 ILE A 14 -5.325 -2.445 -6.907 1.00 0.00 C ATOM 0 H ILE A 14 -6.973 -2.484 -4.190 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.157 0.277 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.995 0.100 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.412 -1.840 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.393 -2.712 -4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.757 -0.260 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.880 0.788 -3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.695 -0.921 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.938 -3.390 -7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.337 -2.593 -6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.341 -1.708 -7.710 1.00 0.00 H new ATOM 266 N PHE A 20 -3.379 6.845 -9.770 1.00 0.00 N ATOM 267 CA PHE A 20 -3.750 7.315 -8.432 1.00 0.00 C ATOM 268 C PHE A 20 -2.613 7.056 -7.442 1.00 0.00 C ATOM 269 O PHE A 20 -1.814 6.133 -7.621 1.00 0.00 O ATOM 270 CB PHE A 20 -5.030 6.617 -7.943 1.00 0.00 C ATOM 271 CG PHE A 20 -4.940 5.100 -7.960 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.459 4.409 -6.833 1.00 0.00 C ATOM 273 CD2 PHE A 20 -5.240 4.385 -9.137 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.242 3.023 -6.888 1.00 0.00 C ATOM 275 CE2 PHE A 20 -5.011 3.000 -9.198 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.499 2.323 -8.077 1.00 0.00 C ATOM 0 HA PHE A 20 -3.936 8.387 -8.492 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.249 6.948 -6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.866 6.930 -8.568 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.255 4.948 -5.920 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.647 4.902 -9.993 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.878 2.497 -6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.228 2.456 -10.105 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.303 1.262 -8.131 1.00 0.00 H new ATOM 286 N LYS A 21 -2.541 7.876 -6.391 1.00 0.00 N ATOM 287 CA LYS A 21 -1.520 7.775 -5.354 1.00 0.00 C ATOM 288 C LYS A 21 -1.778 6.571 -4.458 1.00 0.00 C ATOM 289 O LYS A 21 -2.926 6.178 -4.238 1.00 0.00 O ATOM 290 CB LYS A 21 -1.503 9.068 -4.530 1.00 0.00 C ATOM 291 CG LYS A 21 -0.882 10.225 -5.326 1.00 0.00 C ATOM 292 CD LYS A 21 -0.951 11.537 -4.540 1.00 0.00 C ATOM 293 CE LYS A 21 -0.273 12.657 -5.342 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.298 13.957 -4.628 1.00 0.00 N ATOM 0 H LYS A 21 -3.201 8.638 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.547 7.637 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.520 9.329 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.937 8.910 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.157 9.992 -5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.405 10.339 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.990 11.798 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.460 11.420 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.760 12.378 -5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.772 12.764 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.047 14.707 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.272 14.173 -4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.313 13.904 -3.788 1.00 0.00 H new ATOM 308 N TYR A 22 -0.705 6.021 -3.899 1.00 0.00 N ATOM 309 CA TYR A 22 -0.732 4.896 -2.982 1.00 0.00 C ATOM 310 C TYR A 22 0.374 5.114 -1.936 1.00 0.00 C ATOM 311 O TYR A 22 1.311 5.886 -2.167 1.00 0.00 O ATOM 312 CB TYR A 22 -0.574 3.575 -3.773 1.00 0.00 C ATOM 313 CG TYR A 22 0.817 3.003 -3.683 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.849 3.583 -4.434 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.104 2.050 -2.691 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.182 3.274 -4.138 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.435 1.726 -2.395 1.00 0.00 C ATOM 318 CZ TYR A 22 3.476 2.368 -3.095 1.00 0.00 C ATOM 319 OH TYR A 22 4.759 2.139 -2.726 1.00 0.00 O ATOM 0 H TYR A 22 0.239 6.361 -4.081 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.685 4.824 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.288 2.843 -3.395 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.822 3.752 -4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.617 4.266 -5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.299 1.567 -2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.982 3.727 -4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.661 0.991 -1.637 1.00 0.00 H new ATOM 0 HH TYR A 22 5.344 2.223 -3.508 1.00 0.00 H new ATOM 329 N VAL A 23 0.296 4.417 -0.805 1.00 0.00 N ATOM 330 CA VAL A 23 1.322 4.416 0.230 1.00 0.00 C ATOM 331 C VAL A 23 1.658 2.977 0.607 1.00 0.00 C ATOM 332 O VAL A 23 0.815 2.073 0.525 1.00 0.00 O ATOM 333 CB VAL A 23 0.904 5.255 1.457 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.917 6.756 1.138 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.468 4.845 2.014 1.00 0.00 C ATOM 0 H VAL A 23 -0.502 3.824 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 23 2.220 4.892 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 23 1.645 5.052 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.618 7.319 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.922 7.056 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.221 6.961 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.712 5.467 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.228 4.978 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.439 3.799 2.319 1.00 0.00 H new ATOM 345 N LEU A 24 2.903 2.796 1.045 1.00 0.00 N ATOM 346 CA LEU A 24 3.443 1.541 1.531 1.00 0.00 C ATOM 347 C LEU A 24 3.490 1.731 3.041 1.00 0.00 C ATOM 348 O LEU A 24 4.214 2.609 3.516 1.00 0.00 O ATOM 349 CB LEU A 24 4.850 1.337 0.933 1.00 0.00 C ATOM 350 CG LEU A 24 5.428 -0.090 0.995 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.362 -0.735 2.382 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.731 -1.002 -0.015 1.00 0.00 C ATOM 0 H LEU A 24 3.585 3.554 1.069 1.00 0.00 H new ATOM 0 HA LEU A 24 2.859 0.663 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.824 1.649 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.539 2.006 1.449 1.00 0.00 H new ATOM 0 HG LEU A 24 6.484 0.021 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.789 -1.737 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.927 -0.131 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.323 -0.797 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.155 -2.004 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.665 -1.045 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.875 -0.608 -1.021 1.00 0.00 H new ATOM 364 N ILE A 25 2.707 0.969 3.800 1.00 0.00 N ATOM 365 CA ILE A 25 2.551 1.186 5.234 1.00 0.00 C ATOM 366 C ILE A 25 2.999 -0.072 5.956 1.00 0.00 C ATOM 367 O ILE A 25 2.519 -1.167 5.666 1.00 0.00 O ATOM 368 CB ILE A 25 1.099 1.619 5.565 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.912 3.097 5.152 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.759 1.439 7.056 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.508 3.634 5.352 1.00 0.00 C ATOM 0 H ILE A 25 2.164 0.185 3.438 1.00 0.00 H new ATOM 0 HA ILE A 25 3.179 2.007 5.580 1.00 0.00 H new ATOM 0 HB ILE A 25 0.418 0.977 5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.605 3.713 5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.184 3.206 4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.268 1.756 7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.868 0.390 7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.436 2.044 7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.550 4.677 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.206 3.047 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.779 3.561 6.405 1.00 0.00 H new ATOM 383 N ARG A 26 3.944 0.092 6.879 1.00 0.00 N ATOM 384 CA ARG A 26 4.321 -0.940 7.825 1.00 0.00 C ATOM 385 C ARG A 26 3.254 -0.924 8.907 1.00 0.00 C ATOM 386 O ARG A 26 2.805 0.153 9.299 1.00 0.00 O ATOM 387 CB ARG A 26 5.700 -0.616 8.415 1.00 0.00 C ATOM 388 CG ARG A 26 6.119 -1.633 9.491 1.00 0.00 C ATOM 389 CD ARG A 26 7.634 -1.638 9.716 1.00 0.00 C ATOM 390 NE ARG A 26 8.302 -2.345 8.616 1.00 0.00 N ATOM 391 CZ ARG A 26 9.580 -2.271 8.243 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.443 -1.469 8.860 1.00 0.00 N ATOM 393 NH2 ARG A 26 9.954 -3.036 7.228 1.00 0.00 N ATOM 0 H ARG A 26 4.472 0.958 6.987 1.00 0.00 H new ATOM 0 HA ARG A 26 4.388 -1.922 7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.443 -0.606 7.617 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.683 0.384 8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.614 -1.398 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.793 -2.630 9.194 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.004 -0.615 9.780 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.868 -2.121 10.665 1.00 0.00 H new ATOM 0 HE ARG A 26 7.714 -2.972 8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.133 -0.890 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.415 -1.433 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.275 -3.644 6.771 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.921 -3.016 6.904 1.00 0.00 H new ATOM 407 N VAL A 27 2.906 -2.091 9.426 1.00 0.00 N ATOM 408 CA VAL A 27 1.933 -2.272 10.482 1.00 0.00 C ATOM 409 C VAL A 27 2.521 -3.307 11.445 1.00 0.00 C ATOM 410 O VAL A 27 3.120 -4.291 11.007 1.00 0.00 O ATOM 411 CB VAL A 27 0.570 -2.634 9.851 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.602 -3.812 8.861 1.00 0.00 C ATOM 413 CG2 VAL A 27 -0.478 -2.892 10.934 1.00 0.00 C ATOM 0 H VAL A 27 3.312 -2.971 9.108 1.00 0.00 H new ATOM 0 HA VAL A 27 1.734 -1.373 11.065 1.00 0.00 H new ATOM 0 HB VAL A 27 0.298 -1.760 9.259 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.401 -3.988 8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.274 -3.576 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.956 -4.707 9.372 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.430 -3.145 10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.153 -3.719 11.566 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.600 -1.996 11.543 1.00 0.00 H new ATOM 423 N HIS A 28 2.400 -3.064 12.750 1.00 0.00 N ATOM 424 CA HIS A 28 3.022 -3.855 13.808 1.00 0.00 C ATOM 425 C HIS A 28 1.944 -4.682 14.511 1.00 0.00 C ATOM 426 O HIS A 28 0.800 -4.225 14.609 1.00 0.00 O ATOM 427 CB HIS A 28 3.677 -2.908 14.824 1.00 0.00 C ATOM 428 CG HIS A 28 4.644 -1.914 14.225 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.826 -2.202 13.583 1.00 0.00 N ATOM 430 CD2 HIS A 28 4.519 -0.549 14.238 1.00 0.00 C ATOM 431 CE1 HIS A 28 6.404 -1.042 13.232 1.00 0.00 C ATOM 432 NE2 HIS A 28 5.641 0.002 13.605 1.00 0.00 N ATOM 0 H HIS A 28 1.848 -2.285 13.110 1.00 0.00 H new ATOM 0 HA HIS A 28 3.776 -4.517 13.383 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.894 -2.362 15.349 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.204 -3.504 15.569 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.696 0.007 14.663 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.351 -0.958 12.720 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.839 0.992 13.457 1.00 0.00 H new ATOM 440 N SER A 29 2.280 -5.871 15.025 1.00 0.00 N ATOM 441 CA SER A 29 1.331 -6.714 15.745 1.00 0.00 C ATOM 442 C SER A 29 1.013 -6.132 17.129 1.00 0.00 C ATOM 443 O SER A 29 1.607 -6.510 18.139 1.00 0.00 O ATOM 444 CB SER A 29 1.774 -8.185 15.796 1.00 0.00 C ATOM 445 OG SER A 29 3.170 -8.376 15.921 1.00 0.00 O ATOM 0 H SER A 29 3.216 -6.271 14.951 1.00 0.00 H new ATOM 0 HA SER A 29 0.398 -6.714 15.182 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.277 -8.671 16.636 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.432 -8.685 14.890 1.00 0.00 H new ATOM 0 HG SER A 29 3.368 -9.335 15.948 1.00 0.00 H new ATOM 451 N ALA A 30 0.046 -5.214 17.169 1.00 0.00 N ATOM 452 CA ALA A 30 -0.556 -4.699 18.392 1.00 0.00 C ATOM 453 C ALA A 30 -2.102 -4.705 18.335 1.00 0.00 C ATOM 454 O ALA A 30 -2.707 -3.800 18.912 1.00 0.00 O ATOM 455 CB ALA A 30 0.029 -3.305 18.681 1.00 0.00 C ATOM 0 H ALA A 30 -0.349 -4.799 16.325 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.307 -5.360 19.222 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.413 -2.907 19.594 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.109 -3.382 18.804 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.194 -2.637 17.849 1.00 0.00 H new ATOM 461 N PRO A 31 -2.794 -5.654 17.662 1.00 0.00 N ATOM 462 CA PRO A 31 -4.251 -5.619 17.597 1.00 0.00 C ATOM 463 C PRO A 31 -4.841 -5.712 19.011 1.00 0.00 C ATOM 464 O PRO A 31 -4.309 -6.412 19.879 1.00 0.00 O ATOM 465 CB PRO A 31 -4.664 -6.764 16.674 1.00 0.00 C ATOM 466 CG PRO A 31 -3.524 -7.767 16.814 1.00 0.00 C ATOM 467 CD PRO A 31 -2.308 -6.872 17.024 1.00 0.00 C ATOM 0 HA PRO A 31 -4.637 -4.684 17.192 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.618 -7.197 16.975 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.777 -6.427 15.644 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.680 -8.441 17.656 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.420 -8.388 15.924 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.565 -7.367 17.649 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.825 -6.646 16.074 1.00 0.00 H new ATOM 561 N GLU A 39 6.076 -8.280 15.969 1.00 0.00 N ATOM 562 CA GLU A 39 6.453 -8.447 14.573 1.00 0.00 C ATOM 563 C GLU A 39 5.854 -7.291 13.760 1.00 0.00 C ATOM 564 O GLU A 39 5.082 -6.478 14.284 1.00 0.00 O ATOM 565 CB GLU A 39 5.929 -9.803 14.055 1.00 0.00 C ATOM 566 CG GLU A 39 6.441 -11.030 14.828 1.00 0.00 C ATOM 567 CD GLU A 39 7.977 -11.152 14.827 1.00 0.00 C ATOM 568 OE1 GLU A 39 8.589 -11.237 13.738 1.00 0.00 O ATOM 569 OE2 GLU A 39 8.587 -11.207 15.919 1.00 0.00 O ATOM 0 HA GLU A 39 7.538 -8.435 14.470 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.840 -9.795 14.095 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.209 -9.908 13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.088 -10.975 15.858 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.011 -11.932 14.391 1.00 0.00 H new ATOM 576 N SER A 40 6.174 -7.242 12.465 1.00 0.00 N ATOM 577 CA SER A 40 5.619 -6.272 11.534 1.00 0.00 C ATOM 578 C SER A 40 5.318 -6.940 10.189 1.00 0.00 C ATOM 579 O SER A 40 5.870 -7.993 9.857 1.00 0.00 O ATOM 580 CB SER A 40 6.567 -5.080 11.344 1.00 0.00 C ATOM 581 OG SER A 40 7.053 -4.556 12.570 1.00 0.00 O ATOM 0 H SER A 40 6.836 -7.887 12.033 1.00 0.00 H new ATOM 0 HA SER A 40 4.687 -5.893 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.411 -5.389 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.046 -4.292 10.800 1.00 0.00 H new ATOM 0 HG SER A 40 6.639 -3.684 12.740 1.00 0.00 H new ATOM 587 N LYS A 41 4.432 -6.308 9.425 1.00 0.00 N ATOM 588 CA LYS A 41 3.956 -6.689 8.097 1.00 0.00 C ATOM 589 C LYS A 41 3.805 -5.376 7.327 1.00 0.00 C ATOM 590 O LYS A 41 3.840 -4.301 7.929 1.00 0.00 O ATOM 591 CB LYS A 41 2.653 -7.498 8.288 1.00 0.00 C ATOM 592 CG LYS A 41 1.841 -7.919 7.045 1.00 0.00 C ATOM 593 CD LYS A 41 0.582 -7.051 6.868 1.00 0.00 C ATOM 594 CE LYS A 41 -0.300 -7.430 5.665 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.867 -8.799 5.735 1.00 0.00 N ATOM 0 H LYS A 41 3.992 -5.445 9.744 1.00 0.00 H new ATOM 0 HA LYS A 41 4.623 -7.334 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.907 -8.405 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.993 -6.912 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.467 -7.838 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.552 -8.966 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.018 -7.117 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.887 -6.010 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.118 -6.713 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.290 -7.339 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.818 -8.803 5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.254 -9.456 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.927 -9.100 6.729 1.00 0.00 H new ATOM 609 N GLU A 42 3.649 -5.424 6.009 1.00 0.00 N ATOM 610 CA GLU A 42 3.496 -4.238 5.178 1.00 0.00 C ATOM 611 C GLU A 42 2.232 -4.402 4.341 1.00 0.00 C ATOM 612 O GLU A 42 1.883 -5.527 3.970 1.00 0.00 O ATOM 613 CB GLU A 42 4.723 -4.034 4.271 1.00 0.00 C ATOM 614 CG GLU A 42 5.998 -3.545 4.980 1.00 0.00 C ATOM 615 CD GLU A 42 6.766 -4.610 5.788 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.752 -5.812 5.436 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.459 -4.217 6.753 1.00 0.00 O ATOM 0 H GLU A 42 3.625 -6.297 5.483 1.00 0.00 H new ATOM 0 HA GLU A 42 3.414 -3.355 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.945 -4.977 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.463 -3.316 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.671 -3.129 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.728 -2.731 5.652 1.00 0.00 H new ATOM 624 N ILE A 43 1.578 -3.290 4.011 1.00 0.00 N ATOM 625 CA ILE A 43 0.374 -3.239 3.193 1.00 0.00 C ATOM 626 C ILE A 43 0.517 -2.155 2.126 1.00 0.00 C ATOM 627 O ILE A 43 1.257 -1.181 2.300 1.00 0.00 O ATOM 628 CB ILE A 43 -0.899 -3.030 4.055 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.862 -1.776 4.960 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.178 -4.295 4.873 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.179 -1.490 5.703 1.00 0.00 C ATOM 0 H ILE A 43 1.886 -2.367 4.319 1.00 0.00 H new ATOM 0 HA ILE A 43 0.255 -4.201 2.695 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.717 -2.845 3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.064 -1.895 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.608 -0.910 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.072 -4.147 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.331 -5.138 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.329 -4.501 5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.065 -0.594 6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.979 -1.336 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.427 -2.337 6.343 1.00 0.00 H new ATOM 643 N VAL A 44 -0.235 -2.330 1.042 1.00 0.00 N ATOM 644 CA VAL A 44 -0.305 -1.429 -0.102 1.00 0.00 C ATOM 645 C VAL A 44 -1.754 -0.945 -0.146 1.00 0.00 C ATOM 646 O VAL A 44 -2.653 -1.769 -0.359 1.00 0.00 O ATOM 647 CB VAL A 44 0.084 -2.218 -1.377 1.00 0.00 C ATOM 648 CG1 VAL A 44 -0.069 -1.411 -2.672 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.526 -2.747 -1.326 1.00 0.00 C ATOM 0 H VAL A 44 -0.841 -3.144 0.934 1.00 0.00 H new ATOM 0 HA VAL A 44 0.375 -0.580 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.622 -3.049 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.222 -2.028 -3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.108 -1.101 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.570 -0.529 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.746 -3.292 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.217 -1.910 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.639 -3.415 -0.472 1.00 0.00 H new ATOM 659 N ARG A 45 -1.987 0.356 0.069 1.00 0.00 N ATOM 660 CA ARG A 45 -3.299 1.008 -0.071 1.00 0.00 C ATOM 661 C ARG A 45 -3.120 2.193 -1.007 1.00 0.00 C ATOM 662 O ARG A 45 -2.072 2.836 -0.963 1.00 0.00 O ATOM 663 CB ARG A 45 -3.827 1.552 1.276 1.00 0.00 C ATOM 664 CG ARG A 45 -4.274 0.540 2.343 1.00 0.00 C ATOM 665 CD ARG A 45 -5.370 -0.427 1.891 1.00 0.00 C ATOM 666 NE ARG A 45 -4.772 -1.672 1.417 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.511 -2.760 2.143 1.00 0.00 C ATOM 668 NH1 ARG A 45 -5.045 -2.964 3.343 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.663 -3.645 1.654 1.00 0.00 N ATOM 0 H ARG A 45 -1.251 1.002 0.352 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.012 0.273 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.046 2.174 1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.672 2.206 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.407 -0.039 2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.629 1.087 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.050 -0.632 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.962 0.027 1.097 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.528 -1.714 0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.681 -2.274 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.818 -3.811 3.865 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.228 -3.486 0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.442 -4.488 2.185 1.00 0.00 H new ATOM 683 N GLY A 46 -4.131 2.532 -1.803 1.00 0.00 N ATOM 684 CA GLY A 46 -4.083 3.690 -2.680 1.00 0.00 C ATOM 685 C GLY A 46 -5.358 3.808 -3.486 1.00 0.00 C ATOM 686 O GLY A 46 -5.887 2.796 -3.954 1.00 0.00 O ATOM 0 H GLY A 46 -5.005 2.009 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.937 4.594 -2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.229 3.607 -3.352 1.00 0.00 H new ATOM 690 N TYR A 47 -5.845 5.040 -3.637 1.00 0.00 N ATOM 691 CA TYR A 47 -7.146 5.320 -4.222 1.00 0.00 C ATOM 692 C TYR A 47 -7.141 6.717 -4.813 1.00 0.00 C ATOM 693 O TYR A 47 -6.468 7.602 -4.280 1.00 0.00 O ATOM 694 CB TYR A 47 -8.250 5.246 -3.154 1.00 0.00 C ATOM 695 CG TYR A 47 -8.219 4.026 -2.252 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.434 4.056 -1.083 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.968 2.877 -2.569 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.416 2.947 -0.219 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.933 1.753 -1.724 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.164 1.788 -0.538 1.00 0.00 C ATOM 701 OH TYR A 47 -8.144 0.727 0.311 1.00 0.00 O ATOM 0 H TYR A 47 -5.337 5.877 -3.352 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.343 4.577 -4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.185 6.137 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.217 5.278 -3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.846 4.931 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.572 2.858 -3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.831 2.979 0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.492 0.865 -1.981 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.655 -0.013 -0.078 1.00 0.00 H new ATOM 711 N LYS A 48 -7.930 6.951 -5.867 1.00 0.00 N ATOM 712 CA LYS A 48 -8.023 8.279 -6.468 1.00 0.00 C ATOM 713 C LYS A 48 -8.579 9.317 -5.487 1.00 0.00 C ATOM 714 O LYS A 48 -8.242 10.491 -5.620 1.00 0.00 O ATOM 715 CB LYS A 48 -8.831 8.202 -7.778 1.00 0.00 C ATOM 716 CG LYS A 48 -8.895 9.509 -8.591 1.00 0.00 C ATOM 717 CD LYS A 48 -7.514 10.094 -8.927 1.00 0.00 C ATOM 718 CE LYS A 48 -7.660 11.361 -9.777 1.00 0.00 C ATOM 719 NZ LYS A 48 -6.391 12.124 -9.842 1.00 0.00 N ATOM 0 H LYS A 48 -8.508 6.241 -6.317 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.018 8.623 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.399 7.423 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.848 7.891 -7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.437 9.324 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.467 10.248 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.977 10.326 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.920 9.355 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.974 11.089 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.444 11.992 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.540 13.000 -10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.078 12.360 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.663 11.548 -10.311 1.00 0.00 H new ATOM 733 N TRP A 49 -9.386 8.923 -4.489 1.00 0.00 N ATOM 734 CA TRP A 49 -9.863 9.874 -3.487 1.00 0.00 C ATOM 735 C TRP A 49 -8.717 10.460 -2.648 1.00 0.00 C ATOM 736 O TRP A 49 -8.830 11.601 -2.196 1.00 0.00 O ATOM 737 CB TRP A 49 -11.006 9.296 -2.632 1.00 0.00 C ATOM 738 CG TRP A 49 -10.873 7.928 -2.015 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.590 6.842 -2.385 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.074 7.484 -0.870 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.306 5.777 -1.556 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.377 6.115 -0.596 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.127 8.095 -0.023 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.763 5.397 0.445 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.456 7.368 0.977 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.759 6.016 1.208 1.00 0.00 C ATOM 0 H TRP A 49 -9.715 7.966 -4.360 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.294 10.715 -4.030 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.191 10.000 -1.821 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.901 9.285 -3.254 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.285 6.813 -3.211 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.731 4.854 -1.643 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.912 9.146 -0.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.060 4.380 0.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.699 7.855 1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.226 5.459 1.964 1.00 0.00 H new ATOM 757 N ALA A 50 -7.605 9.737 -2.464 1.00 0.00 N ATOM 758 CA ALA A 50 -6.426 10.253 -1.788 1.00 0.00 C ATOM 759 C ALA A 50 -5.548 11.002 -2.793 1.00 0.00 C ATOM 760 O ALA A 50 -4.516 10.501 -3.237 1.00 0.00 O ATOM 761 CB ALA A 50 -5.669 9.141 -1.069 1.00 0.00 C ATOM 0 H ALA A 50 -7.506 8.774 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.733 10.959 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.793 9.559 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.320 8.679 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.353 8.389 -1.792 1.00 0.00 H new ATOM 767 N GLU A 51 -5.956 12.217 -3.159 1.00 0.00 N ATOM 768 CA GLU A 51 -5.177 13.095 -4.036 1.00 0.00 C ATOM 769 C GLU A 51 -3.865 13.568 -3.370 1.00 0.00 C ATOM 770 O GLU A 51 -3.043 14.215 -4.021 1.00 0.00 O ATOM 771 CB GLU A 51 -6.035 14.310 -4.435 1.00 0.00 C ATOM 772 CG GLU A 51 -7.188 13.979 -5.396 1.00 0.00 C ATOM 773 CD GLU A 51 -6.733 13.859 -6.863 1.00 0.00 C ATOM 774 OE1 GLU A 51 -5.947 12.949 -7.210 1.00 0.00 O ATOM 775 OE2 GLU A 51 -7.178 14.677 -7.701 1.00 0.00 O ATOM 0 H GLU A 51 -6.841 12.623 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.901 12.524 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.447 14.761 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.392 15.057 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.653 13.043 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.951 14.754 -5.320 1.00 0.00 H new ATOM 782 N TYR A 52 -3.640 13.251 -2.091 1.00 0.00 N ATOM 783 CA TYR A 52 -2.431 13.538 -1.326 1.00 0.00 C ATOM 784 C TYR A 52 -2.138 12.303 -0.471 1.00 0.00 C ATOM 785 O TYR A 52 -3.070 11.622 -0.028 1.00 0.00 O ATOM 786 CB TYR A 52 -2.562 14.828 -0.495 1.00 0.00 C ATOM 787 CG TYR A 52 -3.950 15.203 -0.009 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.852 15.798 -0.908 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.324 15.006 1.333 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.139 16.174 -0.484 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.605 15.387 1.771 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.521 15.969 0.864 1.00 0.00 C ATOM 793 OH TYR A 52 -7.761 16.331 1.299 1.00 0.00 O ATOM 0 H TYR A 52 -4.339 12.759 -1.534 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.591 13.731 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.913 14.736 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.179 15.655 -1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.554 15.968 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.627 14.562 2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.833 16.617 -1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.890 15.235 2.802 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.850 16.116 2.251 1.00 0.00 H new ATOM 803 N HIS A 53 -0.862 11.972 -0.267 1.00 0.00 N ATOM 804 CA HIS A 53 -0.467 10.724 0.378 1.00 0.00 C ATOM 805 C HIS A 53 -0.816 10.769 1.858 1.00 0.00 C ATOM 806 O HIS A 53 -1.171 9.736 2.433 1.00 0.00 O ATOM 807 CB HIS A 53 1.035 10.477 0.202 1.00 0.00 C ATOM 808 CG HIS A 53 1.435 10.248 -1.231 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.986 11.189 -2.107 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.326 9.058 -1.879 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.221 10.532 -3.252 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.823 9.257 -3.141 1.00 0.00 N ATOM 0 H HIS A 53 -0.077 12.561 -0.544 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.010 9.905 -0.093 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.586 11.332 0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.326 9.611 0.796 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.927 8.138 -1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.666 10.967 -4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.880 8.551 -3.875 1.00 0.00 H new ATOM 820 N ALA A 54 -0.786 11.961 2.461 1.00 0.00 N ATOM 821 CA ALA A 54 -1.247 12.160 3.827 1.00 0.00 C ATOM 822 C ALA A 54 -2.676 11.645 4.049 1.00 0.00 C ATOM 823 O ALA A 54 -2.987 11.222 5.163 1.00 0.00 O ATOM 824 CB ALA A 54 -1.150 13.643 4.204 1.00 0.00 C ATOM 0 H ALA A 54 -0.441 12.810 2.012 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.595 11.574 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.497 13.782 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.114 13.972 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.770 14.232 3.528 1.00 0.00 H new ATOM 830 N ASP A 55 -3.543 11.662 3.025 1.00 0.00 N ATOM 831 CA ASP A 55 -4.944 11.283 3.198 1.00 0.00 C ATOM 832 C ASP A 55 -5.069 9.792 3.499 1.00 0.00 C ATOM 833 O ASP A 55 -5.689 9.409 4.493 1.00 0.00 O ATOM 834 CB ASP A 55 -5.778 11.615 1.956 1.00 0.00 C ATOM 835 CG ASP A 55 -7.273 11.560 2.304 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.756 12.440 3.052 1.00 0.00 O ATOM 837 OD2 ASP A 55 -7.972 10.648 1.818 1.00 0.00 O ATOM 0 H ASP A 55 -3.295 11.934 2.074 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.327 11.860 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.517 12.607 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.555 10.908 1.157 1.00 0.00 H new ATOM 842 N ILE A 56 -4.428 8.949 2.678 1.00 0.00 N ATOM 843 CA ILE A 56 -4.376 7.514 2.917 1.00 0.00 C ATOM 844 C ILE A 56 -3.555 7.225 4.168 1.00 0.00 C ATOM 845 O ILE A 56 -3.953 6.344 4.921 1.00 0.00 O ATOM 846 CB ILE A 56 -3.864 6.682 1.709 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.863 7.407 0.771 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.060 6.038 0.988 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.667 6.740 -0.598 1.00 0.00 C ATOM 0 H ILE A 56 -3.936 9.248 1.836 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.406 7.191 3.067 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.235 5.888 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.207 8.429 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.897 7.469 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.702 5.454 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.593 5.385 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.734 6.818 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.951 7.316 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.290 5.727 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.621 6.703 -1.124 1.00 0.00 H new ATOM 861 N TYR A 57 -2.455 7.940 4.431 1.00 0.00 N ATOM 862 CA TYR A 57 -1.660 7.634 5.614 1.00 0.00 C ATOM 863 C TYR A 57 -2.492 7.796 6.888 1.00 0.00 C ATOM 864 O TYR A 57 -2.495 6.893 7.727 1.00 0.00 O ATOM 865 CB TYR A 57 -0.375 8.468 5.669 1.00 0.00 C ATOM 866 CG TYR A 57 0.481 8.169 6.891 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.771 6.836 7.246 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.955 9.218 7.703 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.520 6.550 8.397 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.732 8.942 8.843 1.00 0.00 C ATOM 871 CZ TYR A 57 2.021 7.602 9.194 1.00 0.00 C ATOM 872 OH TYR A 57 2.780 7.310 10.288 1.00 0.00 O ATOM 0 H TYR A 57 -2.107 8.709 3.858 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.355 6.590 5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.210 8.282 4.769 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.636 9.526 5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.413 6.027 6.626 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.720 10.241 7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.714 5.524 8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 57 2.108 9.752 9.450 1.00 0.00 H new ATOM 0 HH TYR A 57 3.050 8.142 10.731 1.00 0.00 H new ATOM 882 N ASP A 58 -3.243 8.896 7.009 1.00 0.00 N ATOM 883 CA ASP A 58 -4.104 9.137 8.159 1.00 0.00 C ATOM 884 C ASP A 58 -5.237 8.111 8.229 1.00 0.00 C ATOM 885 O ASP A 58 -5.457 7.507 9.278 1.00 0.00 O ATOM 886 CB ASP A 58 -4.686 10.553 8.108 1.00 0.00 C ATOM 887 CG ASP A 58 -5.638 10.788 9.292 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.154 10.986 10.429 1.00 0.00 O ATOM 889 OD2 ASP A 58 -6.872 10.802 9.091 1.00 0.00 O ATOM 0 H ASP A 58 -3.267 9.639 6.311 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.493 9.035 9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.879 11.285 8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.221 10.699 7.169 1.00 0.00 H new ATOM 894 N LYS A 59 -5.937 7.880 7.112 1.00 0.00 N ATOM 895 CA LYS A 59 -7.085 6.974 7.056 1.00 0.00 C ATOM 896 C LYS A 59 -6.683 5.541 7.394 1.00 0.00 C ATOM 897 O LYS A 59 -7.329 4.898 8.221 1.00 0.00 O ATOM 898 CB LYS A 59 -7.717 7.096 5.663 1.00 0.00 C ATOM 899 CG LYS A 59 -8.910 6.152 5.435 1.00 0.00 C ATOM 900 CD LYS A 59 -9.917 6.822 4.496 1.00 0.00 C ATOM 901 CE LYS A 59 -11.001 5.835 4.043 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.917 6.438 3.043 1.00 0.00 N ATOM 0 H LYS A 59 -5.720 8.320 6.218 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.823 7.253 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.046 8.124 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.956 6.892 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.566 5.211 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.386 5.913 6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.382 7.668 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.396 7.218 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.530 4.950 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.575 5.505 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.855 5.995 3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.001 7.459 3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.538 6.283 2.087 1.00 0.00 H new ATOM 916 N VAL A 60 -5.625 5.034 6.768 1.00 0.00 N ATOM 917 CA VAL A 60 -5.239 3.637 6.874 1.00 0.00 C ATOM 918 C VAL A 60 -4.595 3.393 8.235 1.00 0.00 C ATOM 919 O VAL A 60 -4.981 2.434 8.902 1.00 0.00 O ATOM 920 CB VAL A 60 -4.324 3.261 5.694 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.832 1.807 5.794 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.069 3.451 4.358 1.00 0.00 C ATOM 0 H VAL A 60 -5.010 5.587 6.170 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.113 2.988 6.812 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.458 3.921 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.189 1.581 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.269 1.676 6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.688 1.132 5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.410 3.182 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.953 2.813 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.372 4.493 4.255 1.00 0.00 H new ATOM 932 N SER A 61 -3.681 4.256 8.694 1.00 0.00 N ATOM 933 CA SER A 61 -3.126 4.104 10.034 1.00 0.00 C ATOM 934 C SER A 61 -4.234 4.231 11.079 1.00 0.00 C ATOM 935 O SER A 61 -4.217 3.488 12.056 1.00 0.00 O ATOM 936 CB SER A 61 -2.006 5.112 10.287 1.00 0.00 C ATOM 937 OG SER A 61 -1.012 4.976 9.291 1.00 0.00 O ATOM 0 H SER A 61 -3.319 5.050 8.166 1.00 0.00 H new ATOM 0 HA SER A 61 -2.688 3.109 10.116 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.407 6.126 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.572 4.948 11.273 1.00 0.00 H new ATOM 0 HG SER A 61 -0.403 5.743 9.329 1.00 0.00 H new ATOM 943 N GLY A 62 -5.227 5.098 10.852 1.00 0.00 N ATOM 944 CA GLY A 62 -6.406 5.205 11.694 1.00 0.00 C ATOM 945 C GLY A 62 -7.160 3.881 11.762 1.00 0.00 C ATOM 946 O GLY A 62 -7.478 3.426 12.857 1.00 0.00 O ATOM 0 H GLY A 62 -5.227 5.749 10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.112 5.511 12.698 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.064 5.981 11.305 1.00 0.00 H new ATOM 950 N ASP A 63 -7.422 3.226 10.626 1.00 0.00 N ATOM 951 CA ASP A 63 -8.115 1.938 10.620 1.00 0.00 C ATOM 952 C ASP A 63 -7.305 0.866 11.342 1.00 0.00 C ATOM 953 O ASP A 63 -7.852 0.165 12.191 1.00 0.00 O ATOM 954 CB ASP A 63 -8.457 1.466 9.206 1.00 0.00 C ATOM 955 CG ASP A 63 -9.334 0.203 9.285 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.577 0.345 9.335 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.795 -0.925 9.290 1.00 0.00 O ATOM 0 H ASP A 63 -7.164 3.568 9.700 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.051 2.095 11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.982 2.253 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.543 1.253 8.651 1.00 0.00 H new ATOM 962 N MET A 64 -5.998 0.778 11.079 1.00 0.00 N ATOM 963 CA MET A 64 -5.136 -0.183 11.760 1.00 0.00 C ATOM 964 C MET A 64 -5.165 0.067 13.263 1.00 0.00 C ATOM 965 O MET A 64 -5.330 -0.880 14.026 1.00 0.00 O ATOM 966 CB MET A 64 -3.695 -0.111 11.239 1.00 0.00 C ATOM 967 CG MET A 64 -3.556 -0.497 9.758 1.00 0.00 C ATOM 968 SD MET A 64 -4.017 -2.199 9.354 1.00 0.00 S ATOM 969 CE MET A 64 -5.614 -1.877 8.582 1.00 0.00 C ATOM 0 H MET A 64 -5.516 1.364 10.397 1.00 0.00 H new ATOM 0 HA MET A 64 -5.516 -1.184 11.553 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.317 0.902 11.379 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.068 -0.771 11.838 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.172 0.179 9.164 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.522 -0.337 9.454 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.060 -2.819 8.262 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.273 -1.388 9.300 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.476 -1.229 7.717 1.00 0.00 H new ATOM 979 N GLN A 65 -5.086 1.323 13.699 1.00 0.00 N ATOM 980 CA GLN A 65 -5.122 1.693 15.104 1.00 0.00 C ATOM 981 C GLN A 65 -6.500 1.441 15.722 1.00 0.00 C ATOM 982 O GLN A 65 -6.574 1.152 16.916 1.00 0.00 O ATOM 983 CB GLN A 65 -4.675 3.155 15.241 1.00 0.00 C ATOM 984 CG GLN A 65 -3.147 3.331 15.085 1.00 0.00 C ATOM 985 CD GLN A 65 -2.703 4.800 15.089 1.00 0.00 C ATOM 986 OE1 GLN A 65 -3.504 5.728 14.984 1.00 0.00 O ATOM 987 NE2 GLN A 65 -1.413 5.070 15.221 1.00 0.00 N ATOM 0 H GLN A 65 -4.994 2.122 13.072 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.432 1.062 15.664 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.184 3.758 14.489 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.982 3.534 16.216 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.643 2.804 15.895 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.827 2.864 14.153 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.739 4.309 15.309 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.093 6.039 15.235 1.00 0.00 H new ATOM 996 N LYS A 66 -7.588 1.488 14.945 1.00 0.00 N ATOM 997 CA LYS A 66 -8.902 1.045 15.411 1.00 0.00 C ATOM 998 C LYS A 66 -8.904 -0.475 15.583 1.00 0.00 C ATOM 999 O LYS A 66 -9.486 -0.956 16.558 1.00 0.00 O ATOM 1000 CB LYS A 66 -10.017 1.546 14.477 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.308 3.038 14.728 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.401 3.624 13.822 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.965 3.727 12.351 1.00 0.00 C ATOM 1004 NZ LYS A 66 -12.001 4.376 11.507 1.00 0.00 N ATOM 0 H LYS A 66 -7.581 1.831 13.985 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.109 1.483 16.387 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.722 1.398 13.438 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.923 0.962 14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.604 3.169 15.769 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.389 3.606 14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.294 3.002 13.889 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.675 4.615 14.185 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.037 4.295 12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.755 2.730 11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.667 4.425 10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.879 3.820 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.183 5.337 11.859 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.227 -1.247 14.720 1.00 0.00 N ATOM 1019 CA GLN A 67 -8.009 -2.676 14.975 1.00 0.00 C ATOM 1020 C GLN A 67 -7.054 -2.866 16.175 1.00 0.00 C ATOM 1021 O GLN A 67 -7.112 -3.883 16.864 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.489 -3.398 13.714 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.442 -3.267 12.510 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.988 -4.080 11.293 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.583 -5.234 11.404 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.059 -3.521 10.095 1.00 0.00 N ATOM 0 H GLN A 67 -7.824 -0.908 13.846 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.967 -3.130 15.229 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.514 -2.991 13.445 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.342 -4.454 13.941 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.439 -3.593 12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.521 -2.217 12.229 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.395 -2.563 9.998 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.778 -4.049 9.269 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.192 -1.882 16.447 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.271 -1.773 17.576 1.00 0.00 C ATOM 1037 C GLY A 68 -3.820 -1.631 17.100 1.00 0.00 C ATOM 1038 O GLY A 68 -2.995 -1.027 17.785 1.00 0.00 O ATOM 0 H GLY A 68 -6.116 -1.074 15.829 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.541 -0.912 18.187 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.363 -2.655 18.210 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.529 -2.175 15.915 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.220 -2.205 15.286 1.00 0.00 C ATOM 1044 C CYS A 69 -1.684 -0.789 15.088 1.00 0.00 C ATOM 1045 O CYS A 69 -2.444 0.113 14.750 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.367 -2.884 13.925 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.825 -4.629 14.126 1.00 0.00 S ATOM 0 H CYS A 69 -4.243 -2.628 15.344 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.521 -2.750 15.921 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.126 -2.369 13.336 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.430 -2.810 13.373 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.152 -5.128 12.971 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.372 -0.597 15.212 1.00 0.00 N ATOM 1054 CA ASP A 70 0.246 0.711 14.993 1.00 0.00 C ATOM 1055 C ASP A 70 1.035 0.676 13.687 1.00 0.00 C ATOM 1056 O ASP A 70 1.445 -0.409 13.263 1.00 0.00 O ATOM 1057 CB ASP A 70 1.093 1.110 16.200 1.00 0.00 C ATOM 1058 CG ASP A 70 1.603 2.552 16.053 1.00 0.00 C ATOM 1059 OD1 ASP A 70 0.837 3.409 15.555 1.00 0.00 O ATOM 1060 OD2 ASP A 70 2.759 2.828 16.445 1.00 0.00 O ATOM 0 H ASP A 70 0.287 -1.334 15.464 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.518 1.482 14.894 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.502 1.019 17.111 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.938 0.428 16.299 1.00 0.00 H new ATOM 1065 N CYS A 71 1.263 1.835 13.062 1.00 0.00 N ATOM 1066 CA CYS A 71 1.777 1.921 11.699 1.00 0.00 C ATOM 1067 C CYS A 71 2.782 3.046 11.458 1.00 0.00 C ATOM 1068 O CYS A 71 2.862 4.000 12.235 1.00 0.00 O ATOM 1069 CB CYS A 71 0.581 2.187 10.777 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.516 0.760 10.740 1.00 0.00 S ATOM 0 H CYS A 71 1.094 2.744 13.494 1.00 0.00 H new ATOM 0 HA CYS A 71 2.299 0.984 11.506 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.035 3.064 11.124 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.933 2.409 9.770 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.116 0.644 11.888 1.00 0.00 H new ATOM 1076 N GLU A 72 3.486 2.960 10.323 1.00 0.00 N ATOM 1077 CA GLU A 72 4.334 4.004 9.774 1.00 0.00 C ATOM 1078 C GLU A 72 4.336 3.828 8.249 1.00 0.00 C ATOM 1079 O GLU A 72 4.504 2.708 7.765 1.00 0.00 O ATOM 1080 CB GLU A 72 5.741 3.854 10.373 1.00 0.00 C ATOM 1081 CG GLU A 72 6.725 4.843 9.745 1.00 0.00 C ATOM 1082 CD GLU A 72 8.058 4.890 10.513 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.956 4.061 10.244 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.230 5.772 11.386 1.00 0.00 O ATOM 0 H GLU A 72 3.474 2.121 9.743 1.00 0.00 H new ATOM 0 HA GLU A 72 3.976 5.004 10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.698 4.016 11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.097 2.836 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.912 4.561 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.280 5.838 9.729 1.00 0.00 H new ATOM 1091 N CYS A 73 4.140 4.899 7.474 1.00 0.00 N ATOM 1092 CA CYS A 73 4.344 4.852 6.030 1.00 0.00 C ATOM 1093 C CYS A 73 5.852 4.742 5.773 1.00 0.00 C ATOM 1094 O CYS A 73 6.627 5.609 6.187 1.00 0.00 O ATOM 1095 CB CYS A 73 3.697 6.062 5.326 1.00 0.00 C ATOM 1096 SG CYS A 73 4.088 7.613 6.184 1.00 0.00 S ATOM 0 H CYS A 73 3.840 5.808 7.826 1.00 0.00 H new ATOM 0 HA CYS A 73 3.848 3.981 5.602 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.048 6.116 4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.616 5.928 5.288 1.00 0.00 H new ATOM 0 HG CYS A 73 4.322 8.546 5.309 1.00 0.00 H new ATOM 1102 N LEU A 74 6.281 3.677 5.090 1.00 0.00 N ATOM 1103 CA LEU A 74 7.658 3.555 4.618 1.00 0.00 C ATOM 1104 C LEU A 74 7.910 4.552 3.478 1.00 0.00 C ATOM 1105 O LEU A 74 9.055 4.941 3.247 1.00 0.00 O ATOM 1106 CB LEU A 74 7.966 2.112 4.175 1.00 0.00 C ATOM 1107 CG LEU A 74 7.817 1.033 5.272 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.369 -0.308 4.771 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.536 1.395 6.579 1.00 0.00 C ATOM 0 H LEU A 74 5.687 2.883 4.852 1.00 0.00 H new ATOM 0 HA LEU A 74 8.332 3.792 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.306 1.856 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.986 2.078 3.792 1.00 0.00 H new ATOM 0 HG LEU A 74 6.750 0.964 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.259 -1.061 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.817 -0.621 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.424 -0.196 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.392 0.596 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.601 1.522 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.126 2.324 6.974 1.00 0.00 H new ATOM 1121 N GLY A 75 6.852 4.987 2.788 1.00 0.00 N ATOM 1122 CA GLY A 75 6.864 6.067 1.815 1.00 0.00 C ATOM 1123 C GLY A 75 5.561 6.042 1.024 1.00 0.00 C ATOM 1124 O GLY A 75 4.618 5.328 1.390 1.00 0.00 O ATOM 0 H GLY A 75 5.927 4.574 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.979 7.026 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.714 5.957 1.142 1.00 0.00 H new ATOM 1128 N GLY A 76 5.523 6.775 -0.085 1.00 0.00 N ATOM 1129 CA GLY A 76 4.419 6.728 -1.028 1.00 0.00 C ATOM 1130 C GLY A 76 4.904 6.947 -2.452 1.00 0.00 C ATOM 1131 O GLY A 76 6.074 7.259 -2.686 1.00 0.00 O ATOM 0 H GLY A 76 6.265 7.422 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.917 5.763 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.684 7.490 -0.770 1.00 0.00 H new ATOM 1135 N GLY A 77 3.982 6.778 -3.392 1.00 0.00 N ATOM 1136 CA GLY A 77 4.192 6.890 -4.826 1.00 0.00 C ATOM 1137 C GLY A 77 2.828 6.806 -5.492 1.00 0.00 C ATOM 1138 O GLY A 77 1.810 7.099 -4.861 1.00 0.00 O ATOM 0 H GLY A 77 3.016 6.547 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.681 7.833 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.843 6.092 -5.182 1.00 0.00 H new ATOM 1142 N ARG A 78 2.749 6.409 -6.753 1.00 0.00 N ATOM 1143 CA ARG A 78 1.470 6.233 -7.422 1.00 0.00 C ATOM 1144 C ARG A 78 1.541 5.027 -8.333 1.00 0.00 C ATOM 1145 O ARG A 78 2.624 4.563 -8.694 1.00 0.00 O ATOM 1146 CB ARG A 78 1.037 7.529 -8.129 1.00 0.00 C ATOM 1147 CG ARG A 78 2.000 8.035 -9.199 1.00 0.00 C ATOM 1148 CD ARG A 78 1.405 9.311 -9.811 1.00 0.00 C ATOM 1149 NE ARG A 78 2.365 10.043 -10.651 1.00 0.00 N ATOM 1150 CZ ARG A 78 3.255 10.947 -10.221 1.00 0.00 C ATOM 1151 NH1 ARG A 78 3.446 11.137 -8.916 1.00 0.00 N ATOM 1152 NH2 ARG A 78 3.949 11.663 -11.100 1.00 0.00 N ATOM 0 H ARG A 78 3.560 6.202 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 78 0.687 6.031 -6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.062 7.366 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.910 8.309 -7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.978 8.242 -8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.147 7.277 -9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.532 9.049 -10.409 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.058 9.964 -9.011 1.00 0.00 H new ATOM 0 HE ARG A 78 2.352 9.844 -11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.913 10.592 -8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.125 11.827 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.803 11.524 -12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.627 12.352 -10.775 1.00 0.00 H new ATOM 1166 N ILE A 79 0.366 4.526 -8.670 1.00 0.00 N ATOM 1167 CA ILE A 79 0.148 3.312 -9.428 1.00 0.00 C ATOM 1168 C ILE A 79 -0.571 3.776 -10.688 1.00 0.00 C ATOM 1169 O ILE A 79 -1.371 4.717 -10.637 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.672 2.300 -8.585 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.133 1.858 -7.339 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.084 1.067 -9.414 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.646 0.979 -6.352 1.00 0.00 C ATOM 0 H ILE A 79 -0.508 4.982 -8.407 1.00 0.00 H new ATOM 0 HA ILE A 79 1.065 2.782 -9.687 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.583 2.805 -8.263 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.018 1.314 -7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.483 2.747 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.656 0.382 -8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.696 1.384 -10.258 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.191 0.561 -9.782 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.003 0.718 -5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.516 1.525 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.973 0.069 -6.855 1.00 0.00 H new ATOM 1333 N HIS A 89 1.950 -0.399 -13.372 1.00 0.00 N ATOM 1334 CA HIS A 89 3.232 0.223 -13.076 1.00 0.00 C ATOM 1335 C HIS A 89 3.140 1.013 -11.773 1.00 0.00 C ATOM 1336 O HIS A 89 2.042 1.383 -11.352 1.00 0.00 O ATOM 1337 CB HIS A 89 3.667 1.093 -14.262 1.00 0.00 C ATOM 1338 CG HIS A 89 5.156 1.319 -14.309 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.107 0.377 -14.635 1.00 0.00 N ATOM 1340 CD2 HIS A 89 5.814 2.498 -14.078 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.306 0.980 -14.622 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.182 2.275 -14.279 1.00 0.00 N ATOM 0 HA HIS A 89 3.996 -0.541 -12.933 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.347 0.619 -15.190 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.160 2.056 -14.205 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.358 3.434 -13.791 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.241 0.493 -14.855 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.934 2.958 -14.184 1.00 0.00 H new ATOM 1350 N VAL A 90 4.287 1.276 -11.145 1.00 0.00 N ATOM 1351 CA VAL A 90 4.397 1.994 -9.880 1.00 0.00 C ATOM 1352 C VAL A 90 5.580 2.960 -10.020 1.00 0.00 C ATOM 1353 O VAL A 90 6.647 2.562 -10.492 1.00 0.00 O ATOM 1354 CB VAL A 90 4.585 1.008 -8.700 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.334 1.719 -7.365 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.669 -0.229 -8.755 1.00 0.00 C ATOM 0 H VAL A 90 5.191 0.985 -11.516 1.00 0.00 H new ATOM 0 HA VAL A 90 3.486 2.550 -9.661 1.00 0.00 H new ATOM 0 HB VAL A 90 5.615 0.660 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.470 1.013 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.038 2.544 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.315 2.106 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.866 -0.866 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.627 0.089 -8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.866 -0.787 -9.670 1.00 0.00 H new ATOM 1366 N TYR A 91 5.396 4.232 -9.667 1.00 0.00 N ATOM 1367 CA TYR A 91 6.374 5.295 -9.896 1.00 0.00 C ATOM 1368 C TYR A 91 6.054 6.499 -9.002 1.00 0.00 C ATOM 1369 O TYR A 91 5.146 6.429 -8.172 1.00 0.00 O ATOM 1370 CB TYR A 91 6.415 5.673 -11.394 1.00 0.00 C ATOM 1371 CG TYR A 91 5.263 6.497 -11.948 1.00 0.00 C ATOM 1372 CD1 TYR A 91 3.932 6.042 -11.866 1.00 0.00 C ATOM 1373 CD2 TYR A 91 5.539 7.721 -12.590 1.00 0.00 C ATOM 1374 CE1 TYR A 91 2.886 6.818 -12.390 1.00 0.00 C ATOM 1375 CE2 TYR A 91 4.499 8.493 -13.136 1.00 0.00 C ATOM 1376 CZ TYR A 91 3.163 8.045 -13.033 1.00 0.00 C ATOM 1377 OH TYR A 91 2.136 8.802 -13.515 1.00 0.00 O ATOM 0 H TYR A 91 4.547 4.558 -9.205 1.00 0.00 H new ATOM 0 HA TYR A 91 7.369 4.941 -9.627 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.338 6.223 -11.576 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.475 4.750 -11.971 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.716 5.093 -11.398 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.559 8.069 -12.663 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.866 6.476 -12.301 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.721 9.426 -13.633 1.00 0.00 H new ATOM 0 HH TYR A 91 2.495 9.615 -13.927 1.00 0.00 H new ATOM 1387 N GLY A 92 6.772 7.612 -9.166 1.00 0.00 N ATOM 1388 CA GLY A 92 6.548 8.835 -8.410 1.00 0.00 C ATOM 1389 C GLY A 92 7.029 8.719 -6.965 1.00 0.00 C ATOM 1390 O GLY A 92 7.705 7.755 -6.588 1.00 0.00 O ATOM 0 H GLY A 92 7.535 7.685 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.066 9.661 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.485 9.075 -8.419 1.00 0.00 H new ATOM 1394 N TYR A 93 6.720 9.735 -6.158 1.00 0.00 N ATOM 1395 CA TYR A 93 7.081 9.786 -4.747 1.00 0.00 C ATOM 1396 C TYR A 93 6.215 10.796 -3.995 1.00 0.00 C ATOM 1397 O TYR A 93 5.744 11.774 -4.582 1.00 0.00 O ATOM 1398 CB TYR A 93 8.569 10.149 -4.592 1.00 0.00 C ATOM 1399 CG TYR A 93 9.108 11.297 -5.434 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.952 12.634 -5.018 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.837 11.018 -6.608 1.00 0.00 C ATOM 1402 CE1 TYR A 93 9.537 13.681 -5.753 1.00 0.00 C ATOM 1403 CE2 TYR A 93 10.431 12.057 -7.345 1.00 0.00 C ATOM 1404 CZ TYR A 93 10.298 13.396 -6.909 1.00 0.00 C ATOM 1405 OH TYR A 93 10.887 14.413 -7.599 1.00 0.00 O ATOM 0 H TYR A 93 6.204 10.556 -6.474 1.00 0.00 H new ATOM 0 HA TYR A 93 6.907 8.800 -4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.748 10.389 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.157 9.260 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.380 12.856 -4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.940 9.997 -6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.404 14.704 -5.433 1.00 0.00 H new ATOM 0 HE2 TYR A 93 10.988 11.833 -8.243 1.00 0.00 H new ATOM 0 HH TYR A 93 11.374 14.048 -8.367 1.00 0.00 H new ATOM 1415 N SER A 94 6.006 10.552 -2.698 1.00 0.00 N ATOM 1416 CA SER A 94 5.412 11.531 -1.790 1.00 0.00 C ATOM 1417 C SER A 94 6.458 12.625 -1.536 1.00 0.00 C ATOM 1418 O SER A 94 7.652 12.405 -1.772 1.00 0.00 O ATOM 1419 CB SER A 94 4.994 10.814 -0.496 1.00 0.00 C ATOM 1420 OG SER A 94 4.741 11.694 0.578 1.00 0.00 O ATOM 0 H SER A 94 6.245 9.668 -2.250 1.00 0.00 H new ATOM 0 HA SER A 94 4.520 11.994 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.099 10.223 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.780 10.116 -0.206 1.00 0.00 H new ATOM 0 HG SER A 94 3.775 11.830 0.669 1.00 0.00 H new ATOM 1426 N MET A 95 6.046 13.773 -0.991 1.00 0.00 N ATOM 1427 CA MET A 95 6.973 14.804 -0.536 1.00 0.00 C ATOM 1428 C MET A 95 6.949 14.935 0.987 1.00 0.00 C ATOM 1429 O MET A 95 7.991 15.256 1.564 1.00 0.00 O ATOM 1430 CB MET A 95 6.710 16.139 -1.245 1.00 0.00 C ATOM 1431 CG MET A 95 5.303 16.691 -0.997 1.00 0.00 C ATOM 1432 SD MET A 95 5.026 18.371 -1.640 1.00 0.00 S ATOM 1433 CE MET A 95 5.153 18.080 -3.428 1.00 0.00 C ATOM 0 H MET A 95 5.063 14.010 -0.855 1.00 0.00 H new ATOM 0 HA MET A 95 7.983 14.498 -0.809 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.444 16.871 -0.909 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.857 16.008 -2.317 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.577 16.017 -1.452 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.110 16.690 0.076 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.901 18.995 -3.964 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.172 17.783 -3.677 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.463 17.288 -3.718 1.00 0.00 H new ATOM 1443 N ALA A 96 5.830 14.639 1.662 1.00 0.00 N ATOM 1444 CA ALA A 96 5.823 14.568 3.120 1.00 0.00 C ATOM 1445 C ALA A 96 6.516 13.293 3.623 1.00 0.00 C ATOM 1446 O ALA A 96 7.055 13.303 4.732 1.00 0.00 O ATOM 1447 CB ALA A 96 4.390 14.647 3.647 1.00 0.00 C ATOM 0 H ALA A 96 4.930 14.448 1.223 1.00 0.00 H new ATOM 0 HA ALA A 96 6.385 15.420 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.399 14.593 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.939 15.589 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.809 13.816 3.247 1.00 0.00 H new ATOM 1453 N TYR A 97 6.536 12.220 2.820 1.00 0.00 N ATOM 1454 CA TYR A 97 6.966 10.889 3.251 1.00 0.00 C ATOM 1455 C TYR A 97 7.977 10.241 2.292 1.00 0.00 C ATOM 1456 O TYR A 97 8.540 9.196 2.624 1.00 0.00 O ATOM 1457 CB TYR A 97 5.727 9.998 3.439 1.00 0.00 C ATOM 1458 CG TYR A 97 4.617 10.640 4.256 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.753 10.775 5.651 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.471 11.152 3.618 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.742 11.394 6.408 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.451 11.757 4.368 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.585 11.893 5.769 1.00 0.00 C ATOM 1464 OH TYR A 97 1.631 12.526 6.508 1.00 0.00 O ATOM 0 H TYR A 97 6.250 12.256 1.842 1.00 0.00 H new ATOM 0 HA TYR A 97 7.492 10.998 4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.333 9.731 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.030 9.070 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.639 10.401 6.143 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.376 11.079 2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.850 11.488 7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.562 12.120 3.874 1.00 0.00 H new ATOM 0 HH TYR A 97 0.899 12.811 5.922 1.00 0.00 H new ATOM 1474 N GLY A 98 8.260 10.866 1.143 1.00 0.00 N ATOM 1475 CA GLY A 98 9.300 10.424 0.217 1.00 0.00 C ATOM 1476 C GLY A 98 8.916 9.170 -0.582 1.00 0.00 C ATOM 1477 O GLY A 98 7.802 8.653 -0.440 1.00 0.00 O ATOM 0 H GLY A 98 7.766 11.702 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.525 11.233 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.213 10.223 0.778 1.00 0.00 H new ATOM 1481 N PRO A 99 9.820 8.679 -1.450 1.00 0.00 N ATOM 1482 CA PRO A 99 9.608 7.455 -2.211 1.00 0.00 C ATOM 1483 C PRO A 99 9.560 6.242 -1.279 1.00 0.00 C ATOM 1484 O PRO A 99 10.394 6.100 -0.380 1.00 0.00 O ATOM 1485 CB PRO A 99 10.795 7.343 -3.177 1.00 0.00 C ATOM 1486 CG PRO A 99 11.894 8.173 -2.515 1.00 0.00 C ATOM 1487 CD PRO A 99 11.127 9.249 -1.747 1.00 0.00 C ATOM 0 HA PRO A 99 8.659 7.482 -2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.104 6.306 -3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.543 7.730 -4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.507 7.566 -1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.565 8.611 -3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.651 9.522 -0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.030 10.158 -2.341 1.00 0.00 H new ATOM 1495 N ALA A 100 8.593 5.354 -1.510 1.00 0.00 N ATOM 1496 CA ALA A 100 8.554 4.048 -0.868 1.00 0.00 C ATOM 1497 C ALA A 100 9.571 3.114 -1.536 1.00 0.00 C ATOM 1498 O ALA A 100 10.096 3.409 -2.614 1.00 0.00 O ATOM 1499 CB ALA A 100 7.158 3.453 -1.054 1.00 0.00 C ATOM 0 H ALA A 100 7.816 5.524 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 100 8.791 4.155 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.114 2.474 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.418 4.112 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.946 3.349 -2.118 1.00 0.00 H new ATOM 1505 N GLN A 101 9.812 1.951 -0.922 1.00 0.00 N ATOM 1506 CA GLN A 101 10.559 0.872 -1.554 1.00 0.00 C ATOM 1507 C GLN A 101 9.585 0.197 -2.521 1.00 0.00 C ATOM 1508 O GLN A 101 8.969 -0.812 -2.179 1.00 0.00 O ATOM 1509 CB GLN A 101 11.112 -0.127 -0.525 1.00 0.00 C ATOM 1510 CG GLN A 101 12.286 0.441 0.273 1.00 0.00 C ATOM 1511 CD GLN A 101 12.942 -0.633 1.141 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.917 -1.268 0.745 1.00 0.00 O ATOM 1513 NE2 GLN A 101 12.423 -0.876 2.334 1.00 0.00 N ATOM 0 H GLN A 101 9.494 1.737 0.023 1.00 0.00 H new ATOM 0 HA GLN A 101 11.434 1.260 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.316 -0.414 0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.432 -1.033 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 101 13.024 0.859 -0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.937 1.258 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.614 -0.345 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.832 -1.594 2.932 1.00 0.00 H new ATOM 1522 N HIS A 102 9.416 0.769 -3.714 1.00 0.00 N ATOM 1523 CA HIS A 102 8.457 0.305 -4.718 1.00 0.00 C ATOM 1524 C HIS A 102 8.653 -1.160 -5.141 1.00 0.00 C ATOM 1525 O HIS A 102 7.739 -1.761 -5.703 1.00 0.00 O ATOM 1526 CB HIS A 102 8.463 1.270 -5.911 1.00 0.00 C ATOM 1527 CG HIS A 102 7.893 2.614 -5.531 1.00 0.00 C ATOM 1528 ND1 HIS A 102 6.625 2.822 -5.066 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 8.546 3.827 -5.459 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 6.503 4.159 -4.686 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 7.689 4.729 -4.955 1.00 0.00 N flip ATOM 0 H HIS A 102 9.952 1.583 -4.015 1.00 0.00 H new ATOM 0 HA HIS A 102 7.469 0.314 -4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.483 1.395 -6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.882 0.844 -6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.567 4.017 -5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 102 5.633 4.638 -4.262 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.908 5.713 -4.798 1.00 0.00 H new ATOM 1539 N ALA A 103 9.808 -1.746 -4.813 1.00 0.00 N ATOM 1540 CA ALA A 103 10.094 -3.166 -4.955 1.00 0.00 C ATOM 1541 C ALA A 103 9.132 -4.019 -4.118 1.00 0.00 C ATOM 1542 O ALA A 103 8.694 -5.079 -4.564 1.00 0.00 O ATOM 1543 CB ALA A 103 11.539 -3.411 -4.500 1.00 0.00 C ATOM 0 H ALA A 103 10.594 -1.221 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 103 9.963 -3.455 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.777 -4.470 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.220 -2.828 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.649 -3.109 -3.458 1.00 0.00 H new ATOM 1549 N ILE A 104 8.806 -3.572 -2.900 1.00 0.00 N ATOM 1550 CA ILE A 104 7.854 -4.254 -2.033 1.00 0.00 C ATOM 1551 C ILE A 104 6.489 -4.201 -2.726 1.00 0.00 C ATOM 1552 O ILE A 104 5.813 -5.226 -2.841 1.00 0.00 O ATOM 1553 CB ILE A 104 7.831 -3.591 -0.630 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.241 -3.526 0.005 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.866 -4.347 0.302 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.286 -2.745 1.323 1.00 0.00 C ATOM 0 H ILE A 104 9.199 -2.724 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 104 8.137 -5.294 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 104 7.481 -2.567 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.598 -4.541 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.929 -3.065 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.860 -3.871 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.861 -4.324 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.193 -5.382 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.305 -2.742 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.960 -1.719 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.624 -3.218 2.049 1.00 0.00 H new ATOM 1568 N SER A 105 6.101 -3.021 -3.217 1.00 0.00 N ATOM 1569 CA SER A 105 4.814 -2.782 -3.837 1.00 0.00 C ATOM 1570 C SER A 105 4.612 -3.715 -5.027 1.00 0.00 C ATOM 1571 O SER A 105 3.587 -4.390 -5.085 1.00 0.00 O ATOM 1572 CB SER A 105 4.693 -1.304 -4.245 1.00 0.00 C ATOM 1573 OG SER A 105 5.443 -0.491 -3.358 1.00 0.00 O ATOM 0 H SER A 105 6.694 -2.192 -3.189 1.00 0.00 H new ATOM 0 HA SER A 105 4.024 -2.997 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.052 -1.170 -5.265 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.646 -1.000 -4.233 1.00 0.00 H new ATOM 0 HG SER A 105 5.004 0.380 -3.262 1.00 0.00 H new ATOM 1579 N THR A 106 5.570 -3.809 -5.952 1.00 0.00 N ATOM 1580 CA THR A 106 5.380 -4.627 -7.137 1.00 0.00 C ATOM 1581 C THR A 106 5.248 -6.096 -6.777 1.00 0.00 C ATOM 1582 O THR A 106 4.303 -6.726 -7.242 1.00 0.00 O ATOM 1583 CB THR A 106 6.498 -4.392 -8.157 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.772 -4.358 -7.544 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.252 -3.057 -8.845 1.00 0.00 C ATOM 0 H THR A 106 6.471 -3.333 -5.899 1.00 0.00 H new ATOM 0 HA THR A 106 4.444 -4.323 -7.605 1.00 0.00 H new ATOM 0 HB THR A 106 6.488 -5.216 -8.870 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.468 -4.368 -8.234 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.040 -2.874 -9.576 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.287 -3.081 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.253 -2.259 -8.102 1.00 0.00 H new ATOM 1593 N GLU A 107 6.124 -6.645 -5.932 1.00 0.00 N ATOM 1594 CA GLU A 107 6.058 -8.060 -5.589 1.00 0.00 C ATOM 1595 C GLU A 107 4.711 -8.391 -4.933 1.00 0.00 C ATOM 1596 O GLU A 107 4.095 -9.404 -5.272 1.00 0.00 O ATOM 1597 CB GLU A 107 7.246 -8.454 -4.699 1.00 0.00 C ATOM 1598 CG GLU A 107 8.598 -8.391 -5.433 1.00 0.00 C ATOM 1599 CD GLU A 107 8.681 -9.360 -6.626 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.858 -10.581 -6.413 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.586 -8.900 -7.787 1.00 0.00 O ATOM 0 H GLU A 107 6.880 -6.133 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 107 6.128 -8.650 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.278 -7.793 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.091 -9.465 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.766 -7.374 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.398 -8.621 -4.729 1.00 0.00 H new ATOM 1608 N LYS A 108 4.206 -7.512 -4.060 1.00 0.00 N ATOM 1609 CA LYS A 108 2.894 -7.693 -3.446 1.00 0.00 C ATOM 1610 C LYS A 108 1.777 -7.613 -4.486 1.00 0.00 C ATOM 1611 O LYS A 108 0.917 -8.493 -4.512 1.00 0.00 O ATOM 1612 CB LYS A 108 2.686 -6.653 -2.337 1.00 0.00 C ATOM 1613 CG LYS A 108 3.516 -6.954 -1.084 1.00 0.00 C ATOM 1614 CD LYS A 108 3.250 -5.898 -0.002 1.00 0.00 C ATOM 1615 CE LYS A 108 3.929 -6.300 1.312 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.103 -7.248 2.094 1.00 0.00 N ATOM 0 H LYS A 108 4.692 -6.665 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 108 2.856 -8.689 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.951 -5.666 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.630 -6.619 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.267 -7.945 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.576 -6.967 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.624 -4.928 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.177 -5.789 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.896 -6.754 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.121 -5.408 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.721 -7.932 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.550 -6.724 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.457 -7.754 1.455 1.00 0.00 H new ATOM 1630 N ILE A 109 1.763 -6.591 -5.346 1.00 0.00 N ATOM 1631 CA ILE A 109 0.691 -6.403 -6.326 1.00 0.00 C ATOM 1632 C ILE A 109 0.706 -7.578 -7.324 1.00 0.00 C ATOM 1633 O ILE A 109 -0.362 -8.103 -7.642 1.00 0.00 O ATOM 1634 CB ILE A 109 0.787 -4.999 -6.987 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.631 -3.852 -5.953 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.314 -4.785 -8.050 1.00 0.00 C ATOM 1637 CD1 ILE A 109 1.169 -2.507 -6.467 1.00 0.00 C ATOM 0 H ILE A 109 2.489 -5.876 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.283 -6.418 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 109 1.776 -4.970 -7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.423 -3.742 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.156 -4.122 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.210 -3.792 -8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.215 -5.537 -8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.294 -4.875 -7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 109 1.033 -1.744 -5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.230 -2.604 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.627 -2.218 -7.367 1.00 0.00 H new ATOM 1649 N LYS A 110 1.881 -8.059 -7.766 1.00 0.00 N ATOM 1650 CA LYS A 110 1.983 -9.242 -8.630 1.00 0.00 C ATOM 1651 C LYS A 110 1.352 -10.445 -7.930 1.00 0.00 C ATOM 1652 O LYS A 110 0.551 -11.149 -8.541 1.00 0.00 O ATOM 1653 CB LYS A 110 3.447 -9.588 -8.964 1.00 0.00 C ATOM 1654 CG LYS A 110 4.222 -8.611 -9.865 1.00 0.00 C ATOM 1655 CD LYS A 110 5.702 -9.026 -9.854 1.00 0.00 C ATOM 1656 CE LYS A 110 6.605 -8.037 -10.596 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.036 -8.401 -10.457 1.00 0.00 N ATOM 0 H LYS A 110 2.781 -7.639 -7.534 1.00 0.00 H new ATOM 0 HA LYS A 110 1.460 -9.011 -9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.992 -9.684 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.460 -10.568 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.827 -8.635 -10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.110 -7.589 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.041 -9.116 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.801 -10.012 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.334 -8.016 -11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.444 -7.032 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.625 -7.675 -10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.282 -8.463 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.206 -9.321 -10.912 1.00 0.00 H new ATOM 1786 N VAL A 118 3.333 -6.384 -13.043 1.00 0.00 N ATOM 1787 CA VAL A 118 3.559 -5.082 -12.439 1.00 0.00 C ATOM 1788 C VAL A 118 5.059 -4.816 -12.537 1.00 0.00 C ATOM 1789 O VAL A 118 5.845 -5.733 -12.284 1.00 0.00 O ATOM 1790 CB VAL A 118 3.108 -5.072 -10.958 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.839 -3.641 -10.469 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.861 -5.920 -10.658 1.00 0.00 C ATOM 0 HA VAL A 118 2.982 -4.312 -12.952 1.00 0.00 H new ATOM 0 HB VAL A 118 3.945 -5.522 -10.424 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.524 -3.666 -9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.750 -3.049 -10.559 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.052 -3.191 -11.075 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.621 -5.852 -9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.020 -5.550 -11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.057 -6.960 -10.919 1.00 0.00 H new ATOM 1802 N THR A 119 5.468 -3.588 -12.837 1.00 0.00 N ATOM 1803 CA THR A 119 6.864 -3.169 -12.749 1.00 0.00 C ATOM 1804 C THR A 119 6.940 -1.809 -12.055 1.00 0.00 C ATOM 1805 O THR A 119 5.910 -1.198 -11.753 1.00 0.00 O ATOM 1806 CB THR A 119 7.526 -3.172 -14.141 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.755 -2.468 -15.102 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.771 -4.597 -14.643 1.00 0.00 C ATOM 0 H THR A 119 4.837 -2.850 -13.150 1.00 0.00 H new ATOM 0 HA THR A 119 7.429 -3.880 -12.146 1.00 0.00 H new ATOM 0 HB THR A 119 8.482 -2.663 -14.021 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.625 -1.543 -14.804 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.239 -4.561 -15.627 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.428 -5.120 -13.948 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.821 -5.127 -14.712 1.00 0.00 H new ATOM 1816 N TRP A 120 8.153 -1.332 -11.773 1.00 0.00 N ATOM 1817 CA TRP A 120 8.359 -0.005 -11.222 1.00 0.00 C ATOM 1818 C TRP A 120 9.608 0.617 -11.824 1.00 0.00 C ATOM 1819 O TRP A 120 10.517 -0.084 -12.279 1.00 0.00 O ATOM 1820 CB TRP A 120 8.440 -0.043 -9.686 1.00 0.00 C ATOM 1821 CG TRP A 120 9.653 -0.689 -9.085 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.853 -2.018 -8.942 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.845 -0.052 -8.524 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.072 -2.252 -8.345 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.721 -1.075 -8.046 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.274 1.285 -8.360 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 12.948 -0.791 -7.428 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.501 1.578 -7.734 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.337 0.548 -7.268 1.00 0.00 C ATOM 0 H TRP A 120 9.014 -1.858 -11.922 1.00 0.00 H new ATOM 0 HA TRP A 120 7.501 0.615 -11.483 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.384 0.982 -9.318 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.558 -0.564 -9.313 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.158 -2.785 -9.251 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.447 -3.180 -8.149 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.653 2.092 -8.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.584 -1.591 -7.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.804 2.607 -7.610 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.275 0.786 -6.789 1.00 0.00 H new