USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 728 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 37 CYS SG : rot -142:sc= -6.28! USER MOD Set 1.2: A 47 CYS SG : rot -74:sc= -9.87! USER MOD Set 2.1: A 27 GLN : amide:sc= -2.02! K(o=-5.8!,f=-4.2) USER MOD Set 2.2: A 32 TYR OH : rot -30:sc= 0.418 USER MOD Set 2.3: A 103 ASN : amide:sc= -4.17! C(o=-5.8!,f=-4.4!) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0708 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.17! USER MOD Single : A 10 SER OG : rot 28:sc= 0.517 USER MOD Single : A 11 SER OG : rot 5:sc= 0.92 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 103:sc= 0.881 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -23.2! C(o=-23!,f=-20!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -6.98! C(o=-7!,f=-16!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.368 K(o=-0.37,f=-3.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -20:sc= 0.784! USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0887 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00686 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.707 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -2.41 K(o=-2.4,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.291 13.305 -6.308 1.00 0.00 N ATOM 2 CA ALA A 1 1.669 13.587 -5.961 1.00 0.00 C ATOM 3 C ALA A 1 2.179 12.539 -4.983 1.00 0.00 C ATOM 4 O ALA A 1 1.398 11.943 -4.245 1.00 0.00 O ATOM 5 CB ALA A 1 1.764 14.984 -5.355 1.00 0.00 C ATOM 0 H1 ALA A 1 0.240 12.986 -7.297 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.078 12.559 -5.684 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.279 14.167 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 1 2.289 13.551 -6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.800 15.197 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.414 15.719 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.146 15.035 -4.459 1.00 0.00 H new ATOM 11 N ALA A 2 3.496 12.315 -4.978 1.00 0.00 N ATOM 12 CA ALA A 2 4.102 11.341 -4.093 1.00 0.00 C ATOM 13 C ALA A 2 5.429 11.875 -3.572 1.00 0.00 C ATOM 14 O ALA A 2 6.322 12.194 -4.354 1.00 0.00 O ATOM 15 CB ALA A 2 4.305 10.029 -4.845 1.00 0.00 C ATOM 0 H ALA A 2 4.157 12.802 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 2 3.446 11.159 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.761 9.295 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.341 9.655 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.958 10.198 -5.701 1.00 0.00 H new ATOM 21 N PRO A 3 5.557 11.971 -2.247 1.00 0.00 N ATOM 22 CA PRO A 3 6.744 12.453 -1.574 1.00 0.00 C ATOM 23 C PRO A 3 7.848 11.411 -1.676 1.00 0.00 C ATOM 24 O PRO A 3 7.681 10.390 -2.340 1.00 0.00 O ATOM 25 CB PRO A 3 6.316 12.657 -0.123 1.00 0.00 C ATOM 26 CG PRO A 3 5.225 11.602 0.060 1.00 0.00 C ATOM 27 CD PRO A 3 4.527 11.604 -1.299 1.00 0.00 C ATOM 0 HA PRO A 3 7.134 13.373 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.145 12.506 0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.937 13.665 0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.643 10.624 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.541 11.863 0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.109 10.624 -1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.701 12.315 -1.318 1.00 0.00 H new ATOM 35 N THR A 4 8.980 11.670 -1.017 1.00 0.00 N ATOM 36 CA THR A 4 10.101 10.753 -1.041 1.00 0.00 C ATOM 37 C THR A 4 10.067 9.860 0.192 1.00 0.00 C ATOM 38 O THR A 4 10.316 10.322 1.303 1.00 0.00 O ATOM 39 CB THR A 4 11.404 11.545 -1.098 1.00 0.00 C ATOM 40 OG1 THR A 4 11.703 11.861 -2.439 1.00 0.00 O ATOM 41 CG2 THR A 4 12.535 10.708 -0.508 1.00 0.00 C ATOM 0 H THR A 4 9.136 12.511 -0.462 1.00 0.00 H new ATOM 0 HA THR A 4 10.036 10.119 -1.925 1.00 0.00 H new ATOM 0 HB THR A 4 11.296 12.465 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.539 12.371 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.466 11.274 -0.549 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.304 10.464 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.644 9.788 -1.082 1.00 0.00 H new ATOM 49 N ALA A 5 9.757 8.577 -0.009 1.00 0.00 N ATOM 50 CA ALA A 5 9.690 7.627 1.084 1.00 0.00 C ATOM 51 C ALA A 5 10.540 6.407 0.758 1.00 0.00 C ATOM 52 O ALA A 5 10.638 6.008 -0.401 1.00 0.00 O ATOM 53 CB ALA A 5 8.237 7.227 1.321 1.00 0.00 C ATOM 0 H ALA A 5 9.549 8.179 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 5 10.079 8.084 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.186 6.513 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.652 8.112 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.833 6.770 0.417 1.00 0.00 H new ATOM 59 N THR A 6 11.155 5.814 1.783 1.00 0.00 N ATOM 60 CA THR A 6 11.990 4.644 1.596 1.00 0.00 C ATOM 61 C THR A 6 11.312 3.421 2.197 1.00 0.00 C ATOM 62 O THR A 6 11.129 3.342 3.409 1.00 0.00 O ATOM 63 CB THR A 6 13.350 4.882 2.247 1.00 0.00 C ATOM 64 OG1 THR A 6 13.180 5.636 3.427 1.00 0.00 O ATOM 65 CG2 THR A 6 14.250 5.646 1.281 1.00 0.00 C ATOM 0 H THR A 6 11.085 6.132 2.750 1.00 0.00 H new ATOM 0 HA THR A 6 12.136 4.465 0.531 1.00 0.00 H new ATOM 0 HB THR A 6 13.809 3.924 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.052 5.788 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.221 5.816 1.746 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.381 5.064 0.369 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.792 6.604 1.037 1.00 0.00 H new ATOM 73 N VAL A 7 10.939 2.466 1.342 1.00 0.00 N ATOM 74 CA VAL A 7 10.284 1.253 1.790 1.00 0.00 C ATOM 75 C VAL A 7 11.226 0.069 1.627 1.00 0.00 C ATOM 76 O VAL A 7 12.099 0.082 0.762 1.00 0.00 O ATOM 77 CB VAL A 7 9.004 1.040 0.986 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.465 2.390 0.521 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.306 0.168 -0.229 1.00 0.00 C ATOM 0 H VAL A 7 11.084 2.518 0.334 1.00 0.00 H new ATOM 0 HA VAL A 7 10.024 1.343 2.845 1.00 0.00 H new ATOM 0 HB VAL A 7 8.260 0.547 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.551 2.239 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.250 3.014 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.209 2.883 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.392 0.016 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.050 0.661 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.692 -0.796 0.102 1.00 0.00 H new ATOM 89 N THR A 8 11.049 -0.958 2.461 1.00 0.00 N ATOM 90 CA THR A 8 11.883 -2.141 2.401 1.00 0.00 C ATOM 91 C THR A 8 11.483 -2.999 1.210 1.00 0.00 C ATOM 92 O THR A 8 10.406 -2.819 0.645 1.00 0.00 O ATOM 93 CB THR A 8 11.747 -2.926 3.703 1.00 0.00 C ATOM 94 OG1 THR A 8 13.025 -3.314 4.153 1.00 0.00 O ATOM 95 CG2 THR A 8 10.893 -4.167 3.461 1.00 0.00 C ATOM 0 H THR A 8 10.331 -0.986 3.185 1.00 0.00 H new ATOM 0 HA THR A 8 12.925 -1.847 2.276 1.00 0.00 H new ATOM 0 HB THR A 8 11.271 -2.300 4.458 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.939 -3.817 4.990 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.795 -4.728 4.390 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.905 -3.866 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.368 -4.794 2.707 1.00 0.00 H new ATOM 103 N PRO A 9 12.354 -3.936 0.828 1.00 0.00 N ATOM 104 CA PRO A 9 12.143 -4.844 -0.279 1.00 0.00 C ATOM 105 C PRO A 9 11.091 -5.876 0.100 1.00 0.00 C ATOM 106 O PRO A 9 11.283 -6.645 1.039 1.00 0.00 O ATOM 107 CB PRO A 9 13.501 -5.504 -0.508 1.00 0.00 C ATOM 108 CG PRO A 9 14.118 -5.500 0.890 1.00 0.00 C ATOM 109 CD PRO A 9 13.629 -4.175 1.469 1.00 0.00 C ATOM 0 HA PRO A 9 11.785 -4.342 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.398 -6.515 -0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.108 -4.945 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.781 -6.350 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.206 -5.548 0.852 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.522 -4.233 2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.333 -3.369 1.261 1.00 0.00 H new ATOM 117 N SER A 10 9.975 -5.890 -0.632 1.00 0.00 N ATOM 118 CA SER A 10 8.900 -6.826 -0.368 1.00 0.00 C ATOM 119 C SER A 10 8.518 -7.549 -1.652 1.00 0.00 C ATOM 120 O SER A 10 7.469 -8.187 -1.719 1.00 0.00 O ATOM 121 CB SER A 10 7.703 -6.075 0.207 1.00 0.00 C ATOM 122 OG SER A 10 6.510 -6.687 -0.230 1.00 0.00 O ATOM 0 H SER A 10 9.800 -5.258 -1.413 1.00 0.00 H new ATOM 0 HA SER A 10 9.229 -7.569 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.748 -6.077 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.727 -5.033 -0.111 1.00 0.00 H new ATOM 0 HG SER A 10 6.674 -7.637 -0.403 1.00 0.00 H new ATOM 128 N SER A 11 9.372 -7.448 -2.673 1.00 0.00 N ATOM 129 CA SER A 11 9.120 -8.093 -3.945 1.00 0.00 C ATOM 130 C SER A 11 9.835 -9.436 -3.995 1.00 0.00 C ATOM 131 O SER A 11 11.060 -9.487 -4.080 1.00 0.00 O ATOM 132 CB SER A 11 9.595 -7.186 -5.077 1.00 0.00 C ATOM 133 OG SER A 11 11.004 -7.147 -5.088 1.00 0.00 O ATOM 0 H SER A 11 10.245 -6.922 -2.634 1.00 0.00 H new ATOM 0 HA SER A 11 8.051 -8.269 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.223 -7.555 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.194 -6.181 -4.945 1.00 0.00 H new ATOM 0 HG SER A 11 11.354 -7.775 -4.422 1.00 0.00 H new ATOM 139 N GLY A 12 9.066 -10.527 -3.942 1.00 0.00 N ATOM 140 CA GLY A 12 9.633 -11.860 -3.982 1.00 0.00 C ATOM 141 C GLY A 12 9.810 -12.400 -2.569 1.00 0.00 C ATOM 142 O GLY A 12 10.666 -13.249 -2.329 1.00 0.00 O ATOM 0 H GLY A 12 8.049 -10.504 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.983 -12.522 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.595 -11.838 -4.494 1.00 0.00 H new ATOM 146 N LEU A 13 8.996 -11.906 -1.634 1.00 0.00 N ATOM 147 CA LEU A 13 9.065 -12.340 -0.253 1.00 0.00 C ATOM 148 C LEU A 13 7.851 -13.195 0.081 1.00 0.00 C ATOM 149 O LEU A 13 6.743 -12.904 -0.361 1.00 0.00 O ATOM 150 CB LEU A 13 9.133 -11.119 0.660 1.00 0.00 C ATOM 151 CG LEU A 13 9.975 -10.033 -0.004 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.649 -9.183 1.069 1.00 0.00 C ATOM 153 CD2 LEU A 13 11.040 -10.682 -0.884 1.00 0.00 C ATOM 0 H LEU A 13 8.281 -11.202 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 13 9.961 -12.942 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.129 -10.745 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.567 -11.394 1.621 1.00 0.00 H new ATOM 0 HG LEU A 13 9.333 -9.400 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.250 -8.408 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.888 -8.719 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.291 -9.814 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.642 -9.907 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.682 -11.315 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.558 -11.288 -1.651 1.00 0.00 H new ATOM 165 N SER A 14 8.064 -14.255 0.866 1.00 0.00 N ATOM 166 CA SER A 14 6.988 -15.144 1.255 1.00 0.00 C ATOM 167 C SER A 14 6.074 -14.445 2.251 1.00 0.00 C ATOM 168 O SER A 14 6.494 -13.512 2.934 1.00 0.00 O ATOM 169 CB SER A 14 7.575 -16.416 1.860 1.00 0.00 C ATOM 170 OG SER A 14 6.646 -17.469 1.732 1.00 0.00 O ATOM 0 H SER A 14 8.978 -14.511 1.241 1.00 0.00 H new ATOM 0 HA SER A 14 6.398 -15.412 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.506 -16.675 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.815 -16.254 2.911 1.00 0.00 H new ATOM 0 HG SER A 14 7.023 -18.287 2.119 1.00 0.00 H new ATOM 176 N ASP A 15 4.822 -14.898 2.335 1.00 0.00 N ATOM 177 CA ASP A 15 3.857 -14.315 3.245 1.00 0.00 C ATOM 178 C ASP A 15 4.478 -14.165 4.627 1.00 0.00 C ATOM 179 O ASP A 15 5.371 -14.925 4.993 1.00 0.00 O ATOM 180 CB ASP A 15 2.615 -15.201 3.304 1.00 0.00 C ATOM 181 CG ASP A 15 2.578 -16.000 4.599 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.175 -15.405 5.622 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.953 -17.191 4.541 1.00 0.00 O ATOM 0 H ASP A 15 4.459 -15.671 1.777 1.00 0.00 H new ATOM 0 HA ASP A 15 3.566 -13.327 2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.720 -14.584 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.608 -15.881 2.452 1.00 0.00 H new ATOM 188 N GLY A 16 4.004 -13.180 5.394 1.00 0.00 N ATOM 189 CA GLY A 16 4.518 -12.940 6.727 1.00 0.00 C ATOM 190 C GLY A 16 5.658 -11.932 6.679 1.00 0.00 C ATOM 191 O GLY A 16 6.037 -11.370 7.705 1.00 0.00 O ATOM 0 H GLY A 16 3.264 -12.540 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.721 -12.567 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.868 -13.875 7.163 1.00 0.00 H new ATOM 195 N THR A 17 6.206 -11.705 5.484 1.00 0.00 N ATOM 196 CA THR A 17 7.297 -10.767 5.312 1.00 0.00 C ATOM 197 C THR A 17 6.842 -9.366 5.696 1.00 0.00 C ATOM 198 O THR A 17 5.731 -8.959 5.364 1.00 0.00 O ATOM 199 CB THR A 17 7.774 -10.803 3.863 1.00 0.00 C ATOM 200 OG1 THR A 17 8.477 -12.003 3.629 1.00 0.00 O ATOM 201 CG2 THR A 17 8.696 -9.615 3.602 1.00 0.00 C ATOM 0 H THR A 17 5.905 -12.163 4.624 1.00 0.00 H new ATOM 0 HA THR A 17 8.127 -11.047 5.961 1.00 0.00 H new ATOM 0 HB THR A 17 6.914 -10.750 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.902 -12.630 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.037 -9.640 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.154 -8.687 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.556 -9.669 4.269 1.00 0.00 H new ATOM 209 N VAL A 18 7.706 -8.628 6.397 1.00 0.00 N ATOM 210 CA VAL A 18 7.392 -7.279 6.822 1.00 0.00 C ATOM 211 C VAL A 18 8.040 -6.278 5.877 1.00 0.00 C ATOM 212 O VAL A 18 9.128 -6.524 5.360 1.00 0.00 O ATOM 213 CB VAL A 18 7.881 -7.070 8.252 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.394 -7.266 8.306 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.536 -5.654 8.705 1.00 0.00 C ATOM 0 H VAL A 18 8.631 -8.952 6.679 1.00 0.00 H new ATOM 0 HA VAL A 18 6.313 -7.126 6.796 1.00 0.00 H new ATOM 0 HB VAL A 18 7.397 -7.791 8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.744 -7.117 9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.642 -8.277 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.878 -6.545 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.885 -5.504 9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.020 -4.933 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.456 -5.513 8.666 1.00 0.00 H new ATOM 225 N VAL A 19 7.370 -5.145 5.653 1.00 0.00 N ATOM 226 CA VAL A 19 7.882 -4.114 4.774 1.00 0.00 C ATOM 227 C VAL A 19 7.937 -2.786 5.515 1.00 0.00 C ATOM 228 O VAL A 19 7.215 -2.587 6.489 1.00 0.00 O ATOM 229 CB VAL A 19 6.990 -4.009 3.540 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.811 -3.492 2.361 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.426 -5.385 3.202 1.00 0.00 C ATOM 0 H VAL A 19 6.468 -4.926 6.075 1.00 0.00 H new ATOM 0 HA VAL A 19 8.892 -4.371 4.454 1.00 0.00 H new ATOM 0 HB VAL A 19 6.170 -3.320 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.174 -3.417 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.215 -2.509 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.631 -4.181 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.789 -5.311 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.246 -6.075 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.840 -5.755 4.043 1.00 0.00 H new ATOM 241 N LYS A 20 8.796 -1.876 5.051 1.00 0.00 N ATOM 242 CA LYS A 20 8.939 -0.574 5.672 1.00 0.00 C ATOM 243 C LYS A 20 8.578 0.518 4.675 1.00 0.00 C ATOM 244 O LYS A 20 8.757 0.346 3.472 1.00 0.00 O ATOM 245 CB LYS A 20 10.372 -0.402 6.168 1.00 0.00 C ATOM 246 CG LYS A 20 10.358 -0.060 7.655 1.00 0.00 C ATOM 247 CD LYS A 20 10.468 1.452 7.831 1.00 0.00 C ATOM 248 CE LYS A 20 11.541 1.766 8.870 1.00 0.00 C ATOM 249 NZ LYS A 20 11.132 2.890 9.726 1.00 0.00 N ATOM 0 H LYS A 20 9.402 -2.025 4.244 1.00 0.00 H new ATOM 0 HA LYS A 20 8.262 -0.498 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.939 -1.318 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.870 0.389 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.439 -0.424 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.186 -0.557 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.719 1.922 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.509 1.863 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.726 0.885 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.478 2.008 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.878 3.084 10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.978 3.735 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.250 2.647 10.221 1.00 0.00 H new ATOM 263 N VAL A 21 8.069 1.644 5.180 1.00 0.00 N ATOM 264 CA VAL A 21 7.686 2.757 4.335 1.00 0.00 C ATOM 265 C VAL A 21 7.932 4.068 5.067 1.00 0.00 C ATOM 266 O VAL A 21 7.184 4.424 5.975 1.00 0.00 O ATOM 267 CB VAL A 21 6.216 2.620 3.950 1.00 0.00 C ATOM 268 CG1 VAL A 21 6.085 2.631 2.429 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.667 1.305 4.497 1.00 0.00 C ATOM 0 H VAL A 21 7.915 1.801 6.176 1.00 0.00 H new ATOM 0 HA VAL A 21 8.288 2.753 3.426 1.00 0.00 H new ATOM 0 HB VAL A 21 5.652 3.453 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.035 2.533 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.477 3.569 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.649 1.798 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.617 1.207 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.231 0.472 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.760 1.295 5.583 1.00 0.00 H new ATOM 279 N ALA A 22 8.984 4.787 4.670 1.00 0.00 N ATOM 280 CA ALA A 22 9.323 6.053 5.289 1.00 0.00 C ATOM 281 C ALA A 22 9.149 7.182 4.283 1.00 0.00 C ATOM 282 O ALA A 22 9.836 7.219 3.264 1.00 0.00 O ATOM 283 CB ALA A 22 10.760 5.999 5.800 1.00 0.00 C ATOM 0 H ALA A 22 9.613 4.505 3.918 1.00 0.00 H new ATOM 0 HA ALA A 22 8.658 6.240 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.017 6.950 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.855 5.198 6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.436 5.809 4.966 1.00 0.00 H new ATOM 289 N GLY A 23 8.229 8.105 4.570 1.00 0.00 N ATOM 290 CA GLY A 23 7.974 9.226 3.688 1.00 0.00 C ATOM 291 C GLY A 23 8.972 10.344 3.954 1.00 0.00 C ATOM 292 O GLY A 23 9.356 10.578 5.098 1.00 0.00 O ATOM 0 H GLY A 23 7.651 8.091 5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.046 8.904 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.958 9.592 3.838 1.00 0.00 H new ATOM 296 N ALA A 24 9.393 11.035 2.892 1.00 0.00 N ATOM 297 CA ALA A 24 10.343 12.122 3.014 1.00 0.00 C ATOM 298 C ALA A 24 9.940 13.265 2.093 1.00 0.00 C ATOM 299 O ALA A 24 10.091 13.168 0.878 1.00 0.00 O ATOM 300 CB ALA A 24 11.741 11.616 2.668 1.00 0.00 C ATOM 0 H ALA A 24 9.084 10.853 1.937 1.00 0.00 H new ATOM 0 HA ALA A 24 10.348 12.492 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.457 12.433 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.017 10.814 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.749 11.240 1.645 1.00 0.00 H new ATOM 306 N GLY A 25 9.426 14.351 2.675 1.00 0.00 N ATOM 307 CA GLY A 25 9.006 15.502 1.901 1.00 0.00 C ATOM 308 C GLY A 25 7.489 15.538 1.790 1.00 0.00 C ATOM 309 O GLY A 25 6.945 16.144 0.869 1.00 0.00 O ATOM 0 H GLY A 25 9.294 14.449 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.365 16.417 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.449 15.461 0.906 1.00 0.00 H new ATOM 313 N LEU A 26 6.804 14.885 2.732 1.00 0.00 N ATOM 314 CA LEU A 26 5.356 14.845 2.737 1.00 0.00 C ATOM 315 C LEU A 26 4.808 16.035 3.511 1.00 0.00 C ATOM 316 O LEU A 26 5.543 16.972 3.815 1.00 0.00 O ATOM 317 CB LEU A 26 4.886 13.532 3.358 1.00 0.00 C ATOM 318 CG LEU A 26 5.939 12.453 3.124 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.256 11.093 3.004 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.699 12.756 1.835 1.00 0.00 C ATOM 0 H LEU A 26 7.240 14.377 3.501 1.00 0.00 H new ATOM 0 HA LEU A 26 4.984 14.902 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.716 13.663 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.936 13.229 2.918 1.00 0.00 H new ATOM 0 HG LEU A 26 6.636 12.437 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.008 10.322 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.712 10.876 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.559 11.108 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.452 11.986 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.002 12.772 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.186 13.727 1.920 1.00 0.00 H new ATOM 332 N GLN A 27 3.512 15.995 3.831 1.00 0.00 N ATOM 333 CA GLN A 27 2.874 17.068 4.567 1.00 0.00 C ATOM 334 C GLN A 27 3.066 16.855 6.062 1.00 0.00 C ATOM 335 O GLN A 27 2.727 15.797 6.588 1.00 0.00 O ATOM 336 CB GLN A 27 1.390 17.113 4.213 1.00 0.00 C ATOM 337 CG GLN A 27 1.229 17.486 2.742 1.00 0.00 C ATOM 338 CD GLN A 27 -0.197 17.235 2.272 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.900 18.168 1.889 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.623 15.970 2.302 1.00 0.00 N ATOM 0 H GLN A 27 2.890 15.225 3.587 1.00 0.00 H new ATOM 0 HA GLN A 27 3.329 18.021 4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.930 16.144 4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.877 17.841 4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.484 18.536 2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.924 16.904 2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.001 15.230 2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.570 15.743 1.998 1.00 0.00 H new ATOM 349 N ALA A 28 3.609 17.865 6.746 1.00 0.00 N ATOM 350 CA ALA A 28 3.843 17.783 8.173 1.00 0.00 C ATOM 351 C ALA A 28 2.520 17.886 8.919 1.00 0.00 C ATOM 352 O ALA A 28 1.696 18.744 8.609 1.00 0.00 O ATOM 353 CB ALA A 28 4.792 18.900 8.597 1.00 0.00 C ATOM 0 H ALA A 28 3.893 18.749 6.324 1.00 0.00 H new ATOM 0 HA ALA A 28 4.301 16.824 8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.969 18.839 9.671 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.738 18.794 8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.348 19.866 8.357 1.00 0.00 H new ATOM 359 N GLY A 29 2.317 17.009 9.905 1.00 0.00 N ATOM 360 CA GLY A 29 1.096 17.010 10.684 1.00 0.00 C ATOM 361 C GLY A 29 -0.047 16.411 9.876 1.00 0.00 C ATOM 362 O GLY A 29 -1.200 16.455 10.299 1.00 0.00 O ATOM 0 H GLY A 29 2.989 16.291 10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.241 16.438 11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.846 18.029 10.980 1.00 0.00 H new ATOM 366 N THR A 30 0.276 15.849 8.709 1.00 0.00 N ATOM 367 CA THR A 30 -0.724 15.245 7.852 1.00 0.00 C ATOM 368 C THR A 30 -0.778 13.744 8.095 1.00 0.00 C ATOM 369 O THR A 30 0.256 13.102 8.261 1.00 0.00 O ATOM 370 CB THR A 30 -0.391 15.545 6.393 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.361 16.417 5.859 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.382 14.244 5.596 1.00 0.00 C ATOM 0 H THR A 30 1.227 15.804 8.343 1.00 0.00 H new ATOM 0 HA THR A 30 -1.704 15.664 8.082 1.00 0.00 H new ATOM 0 HB THR A 30 0.591 16.014 6.333 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.241 16.485 4.889 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.144 14.457 4.554 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.368 13.570 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.364 13.774 5.655 1.00 0.00 H new ATOM 380 N ALA A 31 -1.991 13.186 8.117 1.00 0.00 N ATOM 381 CA ALA A 31 -2.174 11.766 8.340 1.00 0.00 C ATOM 382 C ALA A 31 -2.174 11.030 7.007 1.00 0.00 C ATOM 383 O ALA A 31 -2.558 11.593 5.985 1.00 0.00 O ATOM 384 CB ALA A 31 -3.486 11.535 9.085 1.00 0.00 C ATOM 0 H ALA A 31 -2.858 13.706 7.982 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.354 11.380 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.625 10.467 9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.456 12.053 10.044 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.315 11.920 8.490 1.00 0.00 H new ATOM 390 N TYR A 32 -1.740 9.767 7.020 1.00 0.00 N ATOM 391 CA TYR A 32 -1.691 8.965 5.815 1.00 0.00 C ATOM 392 C TYR A 32 -2.206 7.563 6.106 1.00 0.00 C ATOM 393 O TYR A 32 -2.028 7.051 7.209 1.00 0.00 O ATOM 394 CB TYR A 32 -0.257 8.918 5.296 1.00 0.00 C ATOM 395 CG TYR A 32 0.216 10.226 4.710 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.396 10.740 3.560 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.267 10.926 5.315 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.042 11.954 3.017 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.705 12.139 4.772 1.00 0.00 C ATOM 400 CZ TYR A 32 1.093 12.654 3.623 1.00 0.00 C ATOM 401 OH TYR A 32 1.519 13.836 3.094 1.00 0.00 O ATOM 0 H TYR A 32 -1.418 9.285 7.859 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.327 9.411 5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.407 8.634 6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.179 8.140 4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.206 10.200 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.740 10.529 6.201 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.431 12.351 2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.516 12.678 5.240 1.00 0.00 H new ATOM 0 HH TYR A 32 1.377 13.831 2.124 1.00 0.00 H new ATOM 411 N ASP A 33 -2.847 6.943 5.113 1.00 0.00 N ATOM 412 CA ASP A 33 -3.384 5.606 5.267 1.00 0.00 C ATOM 413 C ASP A 33 -2.589 4.629 4.413 1.00 0.00 C ATOM 414 O ASP A 33 -2.632 4.697 3.187 1.00 0.00 O ATOM 415 CB ASP A 33 -4.857 5.601 4.866 1.00 0.00 C ATOM 416 CG ASP A 33 -5.752 5.801 6.080 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.509 5.100 7.086 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.663 6.652 5.980 1.00 0.00 O ATOM 0 H ASP A 33 -3.003 7.355 4.193 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.304 5.295 6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.042 6.391 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.102 4.657 4.380 1.00 0.00 H new ATOM 423 N VAL A 34 -1.861 3.719 5.065 1.00 0.00 N ATOM 424 CA VAL A 34 -1.061 2.735 4.364 1.00 0.00 C ATOM 425 C VAL A 34 -1.775 1.391 4.371 1.00 0.00 C ATOM 426 O VAL A 34 -2.534 1.094 5.291 1.00 0.00 O ATOM 427 CB VAL A 34 0.307 2.624 5.031 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.363 2.304 3.977 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.650 3.947 5.710 1.00 0.00 C ATOM 0 H VAL A 34 -1.815 3.651 6.082 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.921 3.045 3.328 1.00 0.00 H new ATOM 0 HB VAL A 34 0.285 1.828 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.340 2.225 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.118 1.359 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.386 3.099 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.627 3.869 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.672 4.743 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.104 4.176 6.463 1.00 0.00 H new ATOM 439 N GLY A 35 -1.532 0.577 3.340 1.00 0.00 N ATOM 440 CA GLY A 35 -2.155 -0.727 3.238 1.00 0.00 C ATOM 441 C GLY A 35 -1.662 -1.451 1.992 1.00 0.00 C ATOM 442 O GLY A 35 -0.896 -0.893 1.210 1.00 0.00 O ATOM 0 H GLY A 35 -0.906 0.807 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.926 -1.318 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.239 -0.618 3.199 1.00 0.00 H new ATOM 446 N GLN A 36 -2.105 -2.697 1.810 1.00 0.00 N ATOM 447 CA GLN A 36 -1.707 -3.489 0.664 1.00 0.00 C ATOM 448 C GLN A 36 -2.927 -3.820 -0.184 1.00 0.00 C ATOM 449 O GLN A 36 -3.876 -4.431 0.302 1.00 0.00 O ATOM 450 CB GLN A 36 -1.020 -4.764 1.143 1.00 0.00 C ATOM 451 CG GLN A 36 -1.129 -5.838 0.064 1.00 0.00 C ATOM 452 CD GLN A 36 -0.856 -7.219 0.643 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.711 -7.793 1.314 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.340 -7.751 0.383 1.00 0.00 N ATOM 0 H GLN A 36 -2.742 -3.173 2.449 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.007 -2.922 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.028 -4.563 1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.482 -5.113 2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.125 -5.815 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.420 -5.628 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.016 -7.235 -0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.578 -8.674 0.747 1.00 0.00 H new ATOM 463 N CYS A 37 -2.900 -3.414 -1.456 1.00 0.00 N ATOM 464 CA CYS A 37 -4.000 -3.668 -2.364 1.00 0.00 C ATOM 465 C CYS A 37 -3.510 -4.490 -3.548 1.00 0.00 C ATOM 466 O CYS A 37 -2.380 -4.320 -3.999 1.00 0.00 O ATOM 467 CB CYS A 37 -4.588 -2.341 -2.834 1.00 0.00 C ATOM 468 SG CYS A 37 -4.434 -1.000 -1.628 1.00 0.00 S ATOM 0 H CYS A 37 -2.120 -2.906 -1.873 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.778 -4.233 -1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.093 -2.043 -3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.643 -2.485 -3.069 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.505 -0.264 -1.658 1.00 0.00 H new ATOM 473 N ALA A 38 -4.365 -5.385 -4.050 1.00 0.00 N ATOM 474 CA ALA A 38 -4.015 -6.228 -5.176 1.00 0.00 C ATOM 475 C ALA A 38 -5.023 -6.032 -6.299 1.00 0.00 C ATOM 476 O ALA A 38 -6.214 -5.870 -6.046 1.00 0.00 O ATOM 477 CB ALA A 38 -3.983 -7.686 -4.727 1.00 0.00 C ATOM 0 H ALA A 38 -5.306 -5.538 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.028 -5.954 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.720 -8.321 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.241 -7.807 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.965 -7.972 -4.350 1.00 0.00 H new ATOM 483 N TRP A 39 -4.542 -6.045 -7.545 1.00 0.00 N ATOM 484 CA TRP A 39 -5.405 -5.870 -8.696 1.00 0.00 C ATOM 485 C TRP A 39 -6.375 -7.038 -8.799 1.00 0.00 C ATOM 486 O TRP A 39 -5.957 -8.193 -8.849 1.00 0.00 O ATOM 487 CB TRP A 39 -4.554 -5.760 -9.957 1.00 0.00 C ATOM 488 CG TRP A 39 -5.128 -6.429 -11.164 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.443 -6.503 -11.464 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.433 -7.124 -12.245 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.609 -7.190 -12.648 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.400 -7.597 -13.173 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.086 -7.402 -12.535 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -5.050 -8.307 -14.325 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.724 -8.114 -13.689 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.701 -8.567 -14.583 1.00 0.00 C ATOM 0 H TRP A 39 -3.557 -6.176 -7.773 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.984 -4.954 -8.583 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.400 -4.705 -10.183 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.573 -6.189 -9.754 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.242 -6.088 -10.868 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.514 -7.374 -13.082 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.316 -7.062 -11.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.813 -8.651 -15.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.682 -8.314 -13.889 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.414 -9.115 -15.468 1.00 0.00 H new ATOM 507 N VAL A 40 -7.675 -6.735 -8.831 1.00 0.00 N ATOM 508 CA VAL A 40 -8.696 -7.758 -8.928 1.00 0.00 C ATOM 509 C VAL A 40 -9.298 -7.753 -10.326 1.00 0.00 C ATOM 510 O VAL A 40 -9.595 -8.810 -10.879 1.00 0.00 O ATOM 511 CB VAL A 40 -9.771 -7.504 -7.875 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.265 -7.960 -6.510 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.093 -6.013 -7.827 1.00 0.00 C ATOM 0 H VAL A 40 -8.037 -5.782 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.254 -8.738 -8.747 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.671 -8.062 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.033 -7.778 -5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.035 -9.025 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.365 -7.403 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.861 -5.831 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.193 -5.455 -7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.455 -5.687 -8.802 1.00 0.00 H new ATOM 523 N ASP A 41 -9.478 -6.560 -10.897 1.00 0.00 N ATOM 524 CA ASP A 41 -10.043 -6.425 -12.224 1.00 0.00 C ATOM 525 C ASP A 41 -9.237 -5.412 -13.026 1.00 0.00 C ATOM 526 O ASP A 41 -8.249 -4.873 -12.533 1.00 0.00 O ATOM 527 CB ASP A 41 -11.501 -5.990 -12.113 1.00 0.00 C ATOM 528 CG ASP A 41 -12.364 -6.714 -13.137 1.00 0.00 C ATOM 529 OD1 ASP A 41 -12.479 -6.181 -14.262 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.892 -7.788 -12.776 1.00 0.00 O ATOM 0 H ASP A 41 -9.237 -5.675 -10.451 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.002 -7.384 -12.741 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.871 -6.197 -11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.576 -4.913 -12.265 1.00 0.00 H new ATOM 535 N THR A 42 -9.661 -5.155 -14.265 1.00 0.00 N ATOM 536 CA THR A 42 -8.976 -4.209 -15.123 1.00 0.00 C ATOM 537 C THR A 42 -9.203 -2.792 -14.617 1.00 0.00 C ATOM 538 O THR A 42 -10.319 -2.281 -14.673 1.00 0.00 O ATOM 539 CB THR A 42 -9.485 -4.360 -16.554 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.068 -5.604 -17.071 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.920 -3.235 -17.416 1.00 0.00 C ATOM 0 H THR A 42 -10.478 -5.594 -14.690 1.00 0.00 H new ATOM 0 HA THR A 42 -7.905 -4.410 -15.108 1.00 0.00 H new ATOM 0 HB THR A 42 -10.574 -4.310 -16.561 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.396 -5.703 -17.989 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.283 -3.342 -18.438 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.241 -2.273 -17.016 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.831 -3.284 -17.411 1.00 0.00 H new ATOM 549 N GLY A 43 -8.139 -2.155 -14.122 1.00 0.00 N ATOM 550 CA GLY A 43 -8.231 -0.802 -13.612 1.00 0.00 C ATOM 551 C GLY A 43 -8.934 -0.795 -12.261 1.00 0.00 C ATOM 552 O GLY A 43 -9.281 0.265 -11.744 1.00 0.00 O ATOM 0 H GLY A 43 -7.206 -2.563 -14.067 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.233 -0.374 -13.513 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.777 -0.176 -14.318 1.00 0.00 H new ATOM 556 N VAL A 44 -9.144 -1.983 -11.690 1.00 0.00 N ATOM 557 CA VAL A 44 -9.803 -2.109 -10.406 1.00 0.00 C ATOM 558 C VAL A 44 -8.987 -3.017 -9.496 1.00 0.00 C ATOM 559 O VAL A 44 -8.685 -4.152 -9.858 1.00 0.00 O ATOM 560 CB VAL A 44 -11.208 -2.668 -10.609 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.556 -2.642 -12.094 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.263 -4.105 -10.099 1.00 0.00 C ATOM 0 H VAL A 44 -8.862 -2.871 -12.106 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.881 -1.129 -9.934 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.924 -2.059 -10.057 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.560 -3.041 -12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.517 -1.616 -12.459 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.840 -3.251 -12.646 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.267 -4.504 -10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.547 -4.714 -10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.015 -4.124 -9.038 1.00 0.00 H new ATOM 572 N LEU A 45 -8.632 -2.515 -8.311 1.00 0.00 N ATOM 573 CA LEU A 45 -7.856 -3.281 -7.357 1.00 0.00 C ATOM 574 C LEU A 45 -8.552 -3.278 -6.004 1.00 0.00 C ATOM 575 O LEU A 45 -9.201 -2.300 -5.639 1.00 0.00 O ATOM 576 CB LEU A 45 -6.455 -2.685 -7.246 1.00 0.00 C ATOM 577 CG LEU A 45 -6.458 -1.572 -6.201 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.021 -1.211 -5.837 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.164 -0.344 -6.768 1.00 0.00 C ATOM 0 H LEU A 45 -8.875 -1.576 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.772 -4.313 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.740 -3.459 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.138 -2.291 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.983 -1.913 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.023 -0.416 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.517 -2.088 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.495 -0.870 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.166 0.451 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.640 -0.003 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.191 -0.602 -7.027 1.00 0.00 H new ATOM 591 N ALA A 46 -8.415 -4.378 -5.259 1.00 0.00 N ATOM 592 CA ALA A 46 -9.031 -4.497 -3.952 1.00 0.00 C ATOM 593 C ALA A 46 -7.986 -4.275 -2.868 1.00 0.00 C ATOM 594 O ALA A 46 -6.809 -4.565 -3.069 1.00 0.00 O ATOM 595 CB ALA A 46 -9.668 -5.877 -3.816 1.00 0.00 C ATOM 0 H ALA A 46 -7.879 -5.197 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.807 -3.740 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.132 -5.968 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.426 -6.006 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.902 -6.644 -3.928 1.00 0.00 H new ATOM 601 N CYS A 47 -8.420 -3.760 -1.715 1.00 0.00 N ATOM 602 CA CYS A 47 -7.523 -3.503 -0.607 1.00 0.00 C ATOM 603 C CYS A 47 -7.741 -4.541 0.484 1.00 0.00 C ATOM 604 O CYS A 47 -8.785 -5.189 0.527 1.00 0.00 O ATOM 605 CB CYS A 47 -7.769 -2.095 -0.070 1.00 0.00 C ATOM 606 SG CYS A 47 -6.932 -0.794 -1.009 1.00 0.00 S ATOM 0 H CYS A 47 -9.393 -3.515 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.490 -3.573 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.841 -1.898 -0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.439 -2.050 0.968 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.660 -0.814 -0.739 1.00 0.00 H new ATOM 611 N ASN A 48 -6.753 -4.699 1.368 1.00 0.00 N ATOM 612 CA ASN A 48 -6.844 -5.657 2.451 1.00 0.00 C ATOM 613 C ASN A 48 -6.754 -4.937 3.789 1.00 0.00 C ATOM 614 O ASN A 48 -5.695 -4.431 4.155 1.00 0.00 O ATOM 615 CB ASN A 48 -5.725 -6.685 2.315 1.00 0.00 C ATOM 616 CG ASN A 48 -5.701 -7.625 3.512 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.732 -7.858 4.140 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.522 -8.166 3.825 1.00 0.00 N ATOM 0 H ASN A 48 -5.881 -4.170 1.347 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.803 -6.173 2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.863 -7.260 1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.766 -6.175 2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.448 -8.805 4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.695 -7.941 3.272 1.00 0.00 H new ATOM 625 N PRO A 49 -7.870 -4.892 4.520 1.00 0.00 N ATOM 626 CA PRO A 49 -7.972 -4.255 5.815 1.00 0.00 C ATOM 627 C PRO A 49 -7.240 -5.091 6.855 1.00 0.00 C ATOM 628 O PRO A 49 -7.202 -4.730 8.030 1.00 0.00 O ATOM 629 CB PRO A 49 -9.470 -4.204 6.110 1.00 0.00 C ATOM 630 CG PRO A 49 -10.001 -5.434 5.376 1.00 0.00 C ATOM 631 CD PRO A 49 -9.132 -5.477 4.121 1.00 0.00 C ATOM 0 HA PRO A 49 -7.526 -3.261 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.674 -4.252 7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.924 -3.285 5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.895 -6.339 5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.059 -5.335 5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.999 -6.500 3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.588 -4.915 3.306 1.00 0.00 H new ATOM 639 N ALA A 50 -6.658 -6.211 6.421 1.00 0.00 N ATOM 640 CA ALA A 50 -5.934 -7.092 7.314 1.00 0.00 C ATOM 641 C ALA A 50 -4.473 -6.670 7.383 1.00 0.00 C ATOM 642 O ALA A 50 -3.735 -7.122 8.255 1.00 0.00 O ATOM 643 CB ALA A 50 -6.058 -8.531 6.820 1.00 0.00 C ATOM 0 H ALA A 50 -6.679 -6.523 5.450 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.358 -7.028 8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.513 -9.194 7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.109 -8.819 6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.640 -8.608 5.816 1.00 0.00 H new ATOM 649 N ASP A 51 -4.058 -5.800 6.460 1.00 0.00 N ATOM 650 CA ASP A 51 -2.690 -5.323 6.420 1.00 0.00 C ATOM 651 C ASP A 51 -2.676 -3.815 6.217 1.00 0.00 C ATOM 652 O ASP A 51 -1.723 -3.270 5.665 1.00 0.00 O ATOM 653 CB ASP A 51 -1.940 -6.027 5.292 1.00 0.00 C ATOM 654 CG ASP A 51 -2.104 -7.537 5.390 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.435 -8.002 6.502 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.896 -8.199 4.350 1.00 0.00 O ATOM 0 H ASP A 51 -4.659 -5.415 5.731 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.194 -5.547 7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.313 -5.678 4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.882 -5.768 5.337 1.00 0.00 H new ATOM 661 N PHE A 52 -3.736 -3.140 6.667 1.00 0.00 N ATOM 662 CA PHE A 52 -3.838 -1.701 6.532 1.00 0.00 C ATOM 663 C PHE A 52 -3.378 -1.028 7.817 1.00 0.00 C ATOM 664 O PHE A 52 -4.004 -1.188 8.863 1.00 0.00 O ATOM 665 CB PHE A 52 -5.280 -1.322 6.208 1.00 0.00 C ATOM 666 CG PHE A 52 -6.022 -0.721 7.378 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.614 0.508 7.910 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.121 -1.391 7.929 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.304 1.066 8.993 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.811 -0.833 9.012 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.402 0.395 9.544 1.00 0.00 C ATOM 0 H PHE A 52 -4.534 -3.577 7.128 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.196 -1.362 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.284 -0.611 5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.813 -2.210 5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.767 1.026 7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.437 -2.339 7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.989 2.014 9.403 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.659 -1.350 9.437 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.934 0.825 10.380 1.00 0.00 H new ATOM 681 N SER A 53 -2.280 -0.272 7.738 1.00 0.00 N ATOM 682 CA SER A 53 -1.745 0.420 8.893 1.00 0.00 C ATOM 683 C SER A 53 -2.028 1.911 8.778 1.00 0.00 C ATOM 684 O SER A 53 -2.602 2.362 7.789 1.00 0.00 O ATOM 685 CB SER A 53 -0.245 0.160 8.991 1.00 0.00 C ATOM 686 OG SER A 53 0.196 0.441 10.301 1.00 0.00 O ATOM 0 H SER A 53 -1.749 -0.129 6.879 1.00 0.00 H new ATOM 0 HA SER A 53 -2.225 0.049 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.028 -0.878 8.737 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.290 0.782 8.274 1.00 0.00 H new ATOM 0 HG SER A 53 1.159 0.273 10.365 1.00 0.00 H new ATOM 692 N SER A 54 -1.621 2.678 9.793 1.00 0.00 N ATOM 693 CA SER A 54 -1.831 4.111 9.798 1.00 0.00 C ATOM 694 C SER A 54 -0.681 4.798 10.522 1.00 0.00 C ATOM 695 O SER A 54 -0.009 4.185 11.348 1.00 0.00 O ATOM 696 CB SER A 54 -3.161 4.428 10.475 1.00 0.00 C ATOM 697 OG SER A 54 -3.214 3.786 11.730 1.00 0.00 O ATOM 0 H SER A 54 -1.143 2.320 10.620 1.00 0.00 H new ATOM 0 HA SER A 54 -1.863 4.481 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.270 5.505 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.989 4.095 9.849 1.00 0.00 H new ATOM 0 HG SER A 54 -4.067 3.991 12.166 1.00 0.00 H new ATOM 703 N VAL A 55 -0.456 6.077 10.209 1.00 0.00 N ATOM 704 CA VAL A 55 0.608 6.840 10.828 1.00 0.00 C ATOM 705 C VAL A 55 0.428 8.319 10.518 1.00 0.00 C ATOM 706 O VAL A 55 -0.292 8.677 9.589 1.00 0.00 O ATOM 707 CB VAL A 55 1.956 6.340 10.318 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.912 6.221 8.797 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.049 7.326 10.719 1.00 0.00 C ATOM 0 H VAL A 55 -1.005 6.599 9.526 1.00 0.00 H new ATOM 0 HA VAL A 55 0.574 6.709 11.910 1.00 0.00 H new ATOM 0 HB VAL A 55 2.170 5.364 10.753 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.875 5.864 8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.131 5.517 8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.698 7.197 8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.012 6.969 10.355 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.836 8.302 10.284 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.081 7.412 11.805 1.00 0.00 H new ATOM 719 N THR A 56 1.085 9.180 11.299 1.00 0.00 N ATOM 720 CA THR A 56 0.993 10.612 11.099 1.00 0.00 C ATOM 721 C THR A 56 2.388 11.216 11.016 1.00 0.00 C ATOM 722 O THR A 56 3.242 10.930 11.853 1.00 0.00 O ATOM 723 CB THR A 56 0.203 11.235 12.247 1.00 0.00 C ATOM 724 OG1 THR A 56 -1.012 10.537 12.413 1.00 0.00 O ATOM 725 CG2 THR A 56 -0.091 12.698 11.928 1.00 0.00 C ATOM 0 H THR A 56 1.685 8.901 12.075 1.00 0.00 H new ATOM 0 HA THR A 56 0.475 10.818 10.162 1.00 0.00 H new ATOM 0 HB THR A 56 0.787 11.174 13.165 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.520 10.935 13.151 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.655 13.143 12.748 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.847 13.238 11.798 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.675 12.760 11.010 1.00 0.00 H new ATOM 733 N ALA A 57 2.617 12.053 10.002 1.00 0.00 N ATOM 734 CA ALA A 57 3.904 12.691 9.814 1.00 0.00 C ATOM 735 C ALA A 57 4.180 13.646 10.966 1.00 0.00 C ATOM 736 O ALA A 57 3.250 14.173 11.574 1.00 0.00 O ATOM 737 CB ALA A 57 3.912 13.435 8.481 1.00 0.00 C ATOM 0 H ALA A 57 1.919 12.300 9.300 1.00 0.00 H new ATOM 0 HA ALA A 57 4.690 11.936 9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.880 13.916 8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.734 12.729 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.128 14.192 8.482 1.00 0.00 H new ATOM 743 N ASP A 58 5.461 13.869 11.266 1.00 0.00 N ATOM 744 CA ASP A 58 5.851 14.757 12.343 1.00 0.00 C ATOM 745 C ASP A 58 6.047 16.166 11.803 1.00 0.00 C ATOM 746 O ASP A 58 5.713 16.444 10.653 1.00 0.00 O ATOM 747 CB ASP A 58 7.135 14.241 12.987 1.00 0.00 C ATOM 748 CG ASP A 58 8.285 14.251 11.990 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.083 14.822 10.897 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.344 13.688 12.340 1.00 0.00 O ATOM 0 H ASP A 58 6.243 13.441 10.771 1.00 0.00 H new ATOM 0 HA ASP A 58 5.067 14.785 13.099 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.389 14.860 13.847 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.979 13.228 13.358 1.00 0.00 H new ATOM 755 N ALA A 59 6.590 17.057 12.636 1.00 0.00 N ATOM 756 CA ALA A 59 6.825 18.431 12.239 1.00 0.00 C ATOM 757 C ALA A 59 7.815 18.471 11.084 1.00 0.00 C ATOM 758 O ALA A 59 7.807 19.409 10.290 1.00 0.00 O ATOM 759 CB ALA A 59 7.355 19.220 13.433 1.00 0.00 C ATOM 0 H ALA A 59 6.873 16.842 13.592 1.00 0.00 H new ATOM 0 HA ALA A 59 5.891 18.883 11.907 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.532 20.254 13.136 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.623 19.195 14.240 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.289 18.776 13.777 1.00 0.00 H new ATOM 765 N ASN A 60 8.669 17.449 10.990 1.00 0.00 N ATOM 766 CA ASN A 60 9.657 17.374 9.934 1.00 0.00 C ATOM 767 C ASN A 60 8.993 16.955 8.630 1.00 0.00 C ATOM 768 O ASN A 60 9.633 16.937 7.581 1.00 0.00 O ATOM 769 CB ASN A 60 10.748 16.383 10.328 1.00 0.00 C ATOM 770 CG ASN A 60 12.129 16.940 10.013 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.282 18.141 9.804 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.135 16.063 9.981 1.00 0.00 N ATOM 0 H ASN A 60 8.688 16.663 11.640 1.00 0.00 H new ATOM 0 HA ASN A 60 10.110 18.354 9.787 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.676 16.161 11.393 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.601 15.443 9.796 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.082 16.381 9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.956 15.075 10.162 1.00 0.00 H new ATOM 779 N GLY A 61 7.703 16.616 8.697 1.00 0.00 N ATOM 780 CA GLY A 61 6.964 16.200 7.522 1.00 0.00 C ATOM 781 C GLY A 61 7.350 14.780 7.131 1.00 0.00 C ATOM 782 O GLY A 61 6.969 14.301 6.066 1.00 0.00 O ATOM 0 H GLY A 61 7.156 16.624 9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.893 16.252 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.169 16.881 6.695 1.00 0.00 H new ATOM 786 N SER A 62 8.110 14.107 7.998 1.00 0.00 N ATOM 787 CA SER A 62 8.543 12.749 7.740 1.00 0.00 C ATOM 788 C SER A 62 7.684 11.774 8.533 1.00 0.00 C ATOM 789 O SER A 62 7.345 12.036 9.685 1.00 0.00 O ATOM 790 CB SER A 62 10.014 12.604 8.117 1.00 0.00 C ATOM 791 OG SER A 62 10.154 12.717 9.515 1.00 0.00 O ATOM 0 H SER A 62 8.435 14.490 8.886 1.00 0.00 H new ATOM 0 HA SER A 62 8.430 12.523 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.394 11.640 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.606 13.372 7.618 1.00 0.00 H new ATOM 0 HG SER A 62 11.099 12.622 9.758 1.00 0.00 H new ATOM 797 N ALA A 63 7.334 10.644 7.914 1.00 0.00 N ATOM 798 CA ALA A 63 6.519 9.637 8.563 1.00 0.00 C ATOM 799 C ALA A 63 7.269 8.313 8.601 1.00 0.00 C ATOM 800 O ALA A 63 8.251 8.133 7.885 1.00 0.00 O ATOM 801 CB ALA A 63 5.200 9.490 7.810 1.00 0.00 C ATOM 0 H ALA A 63 7.608 10.411 6.960 1.00 0.00 H new ATOM 0 HA ALA A 63 6.306 9.940 9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.586 8.733 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.671 10.443 7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.400 9.189 6.782 1.00 0.00 H new ATOM 807 N SER A 64 6.803 7.386 9.441 1.00 0.00 N ATOM 808 CA SER A 64 7.431 6.086 9.567 1.00 0.00 C ATOM 809 C SER A 64 6.391 5.045 9.955 1.00 0.00 C ATOM 810 O SER A 64 5.731 5.176 10.984 1.00 0.00 O ATOM 811 CB SER A 64 8.541 6.157 10.612 1.00 0.00 C ATOM 812 OG SER A 64 8.033 5.754 11.864 1.00 0.00 O ATOM 0 H SER A 64 5.990 7.520 10.042 1.00 0.00 H new ATOM 0 HA SER A 64 7.867 5.795 8.611 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.372 5.514 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.931 7.173 10.676 1.00 0.00 H new ATOM 0 HG SER A 64 7.056 5.825 11.859 1.00 0.00 H new ATOM 818 N THR A 65 6.245 4.007 9.128 1.00 0.00 N ATOM 819 CA THR A 65 5.288 2.952 9.393 1.00 0.00 C ATOM 820 C THR A 65 5.785 1.640 8.803 1.00 0.00 C ATOM 821 O THR A 65 6.783 1.617 8.086 1.00 0.00 O ATOM 822 CB THR A 65 3.935 3.333 8.799 1.00 0.00 C ATOM 823 OG1 THR A 65 2.959 3.339 9.817 1.00 0.00 O ATOM 824 CG2 THR A 65 3.546 2.319 7.727 1.00 0.00 C ATOM 0 H THR A 65 6.782 3.883 8.270 1.00 0.00 H new ATOM 0 HA THR A 65 5.175 2.822 10.469 1.00 0.00 H new ATOM 0 HB THR A 65 4.001 4.326 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.090 3.585 9.436 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.580 2.591 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.300 2.315 6.940 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.480 1.326 8.172 1.00 0.00 H new ATOM 832 N SER A 66 5.085 0.545 9.107 1.00 0.00 N ATOM 833 CA SER A 66 5.457 -0.763 8.606 1.00 0.00 C ATOM 834 C SER A 66 4.254 -1.426 7.950 1.00 0.00 C ATOM 835 O SER A 66 3.233 -1.644 8.598 1.00 0.00 O ATOM 836 CB SER A 66 5.986 -1.616 9.755 1.00 0.00 C ATOM 837 OG SER A 66 6.685 -0.797 10.665 1.00 0.00 O ATOM 0 H SER A 66 4.256 0.547 9.701 1.00 0.00 H new ATOM 0 HA SER A 66 6.242 -0.660 7.857 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.160 -2.117 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.644 -2.395 9.371 1.00 0.00 H new ATOM 0 HG SER A 66 7.024 -1.344 11.404 1.00 0.00 H new ATOM 843 N LEU A 67 4.378 -1.748 6.660 1.00 0.00 N ATOM 844 CA LEU A 67 3.304 -2.385 5.924 1.00 0.00 C ATOM 845 C LEU A 67 3.632 -3.855 5.701 1.00 0.00 C ATOM 846 O LEU A 67 4.744 -4.192 5.302 1.00 0.00 O ATOM 847 CB LEU A 67 3.106 -1.668 4.592 1.00 0.00 C ATOM 848 CG LEU A 67 1.614 -1.557 4.292 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.124 -2.855 3.657 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.851 -1.305 5.590 1.00 0.00 C ATOM 0 H LEU A 67 5.219 -1.574 6.109 1.00 0.00 H new ATOM 0 HA LEU A 67 2.379 -2.322 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.555 -0.676 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.609 -2.215 3.794 1.00 0.00 H new ATOM 0 HG LEU A 67 1.443 -0.729 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.058 -2.776 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.668 -3.034 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.295 -3.684 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.215 -1.226 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.022 -2.132 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.200 -0.377 6.043 1.00 0.00 H new ATOM 862 N THR A 68 2.659 -4.732 5.960 1.00 0.00 N ATOM 863 CA THR A 68 2.852 -6.157 5.784 1.00 0.00 C ATOM 864 C THR A 68 2.292 -6.594 4.438 1.00 0.00 C ATOM 865 O THR A 68 1.330 -6.011 3.943 1.00 0.00 O ATOM 866 CB THR A 68 2.166 -6.906 6.923 1.00 0.00 C ATOM 867 OG1 THR A 68 2.290 -8.295 6.713 1.00 0.00 O ATOM 868 CG2 THR A 68 0.688 -6.528 6.964 1.00 0.00 C ATOM 0 H THR A 68 1.731 -4.471 6.293 1.00 0.00 H new ATOM 0 HA THR A 68 3.917 -6.387 5.803 1.00 0.00 H new ATOM 0 HB THR A 68 2.636 -6.637 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.851 -8.777 7.445 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.198 -7.063 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.591 -5.454 7.126 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.217 -6.796 6.018 1.00 0.00 H new ATOM 876 N VAL A 69 2.898 -7.625 3.845 1.00 0.00 N ATOM 877 CA VAL A 69 2.460 -8.136 2.562 1.00 0.00 C ATOM 878 C VAL A 69 1.928 -9.553 2.726 1.00 0.00 C ATOM 879 O VAL A 69 2.574 -10.392 3.348 1.00 0.00 O ATOM 880 CB VAL A 69 3.627 -8.107 1.579 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.937 -7.966 2.348 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.646 -9.404 0.775 1.00 0.00 C ATOM 0 H VAL A 69 3.697 -8.119 4.243 1.00 0.00 H new ATOM 0 HA VAL A 69 1.657 -7.511 2.171 1.00 0.00 H new ATOM 0 HB VAL A 69 3.511 -7.261 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.771 -7.945 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.924 -7.040 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.054 -8.812 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.479 -9.384 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.762 -10.250 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.710 -9.505 0.225 1.00 0.00 H new ATOM 892 N ARG A 70 0.745 -9.816 2.166 1.00 0.00 N ATOM 893 CA ARG A 70 0.132 -11.126 2.254 1.00 0.00 C ATOM 894 C ARG A 70 0.049 -11.750 0.868 1.00 0.00 C ATOM 895 O ARG A 70 0.098 -11.044 -0.137 1.00 0.00 O ATOM 896 CB ARG A 70 -1.257 -10.997 2.872 1.00 0.00 C ATOM 897 CG ARG A 70 -1.158 -11.170 4.385 1.00 0.00 C ATOM 898 CD ARG A 70 0.096 -10.467 4.897 1.00 0.00 C ATOM 899 NE ARG A 70 -0.023 -10.149 6.320 1.00 0.00 N ATOM 900 CZ ARG A 70 0.225 -11.043 7.287 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.601 -12.289 6.967 1.00 0.00 N ATOM 902 NH2 ARG A 70 0.096 -10.691 8.573 1.00 0.00 N ATOM 0 H ARG A 70 0.197 -9.130 1.646 1.00 0.00 H new ATOM 0 HA ARG A 70 0.738 -11.773 2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.684 -10.023 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.925 -11.749 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.043 -10.755 4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.123 -12.229 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.966 -11.104 4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.261 -9.551 4.329 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.307 -9.207 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.698 -12.557 5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.790 -12.970 7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.191 -9.743 8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.285 -11.371 9.309 1.00 0.00 H new ATOM 916 N ARG A 71 -0.078 -13.078 0.816 1.00 0.00 N ATOM 917 CA ARG A 71 -0.166 -13.789 -0.444 1.00 0.00 C ATOM 918 C ARG A 71 -1.585 -13.699 -0.988 1.00 0.00 C ATOM 919 O ARG A 71 -1.801 -13.839 -2.190 1.00 0.00 O ATOM 920 CB ARG A 71 0.241 -15.245 -0.234 1.00 0.00 C ATOM 921 CG ARG A 71 -0.778 -15.933 0.670 1.00 0.00 C ATOM 922 CD ARG A 71 -0.147 -16.204 2.033 1.00 0.00 C ATOM 923 NE ARG A 71 -0.659 -17.447 2.610 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.937 -17.601 2.985 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.805 -16.591 2.835 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.346 -18.764 3.510 1.00 0.00 N ATOM 0 H ARG A 71 -0.122 -13.677 1.640 1.00 0.00 H new ATOM 0 HA ARG A 71 0.510 -13.337 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.298 -15.760 -1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.233 -15.295 0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.661 -15.305 0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.109 -16.868 0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.936 -16.266 1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.357 -15.373 2.706 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.016 -18.230 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.493 -15.706 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.777 -16.708 3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.685 -19.532 3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.318 -18.881 3.795 1.00 0.00 H new ATOM 940 N SER A 72 -2.553 -13.465 -0.099 1.00 0.00 N ATOM 941 CA SER A 72 -3.943 -13.356 -0.496 1.00 0.00 C ATOM 942 C SER A 72 -4.734 -12.636 0.587 1.00 0.00 C ATOM 943 O SER A 72 -4.331 -12.620 1.747 1.00 0.00 O ATOM 944 CB SER A 72 -4.511 -14.751 -0.743 1.00 0.00 C ATOM 945 OG SER A 72 -4.719 -15.399 0.492 1.00 0.00 O ATOM 0 H SER A 72 -2.391 -13.348 0.901 1.00 0.00 H new ATOM 0 HA SER A 72 -4.018 -12.779 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.450 -14.681 -1.292 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.824 -15.331 -1.359 1.00 0.00 H new ATOM 0 HG SER A 72 -5.085 -16.294 0.334 1.00 0.00 H new ATOM 951 N PHE A 73 -5.865 -12.039 0.204 1.00 0.00 N ATOM 952 CA PHE A 73 -6.705 -11.323 1.143 1.00 0.00 C ATOM 953 C PHE A 73 -7.941 -10.792 0.430 1.00 0.00 C ATOM 954 O PHE A 73 -7.940 -10.643 -0.790 1.00 0.00 O ATOM 955 CB PHE A 73 -5.908 -10.181 1.768 1.00 0.00 C ATOM 956 CG PHE A 73 -4.975 -9.496 0.799 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.492 -8.664 -0.201 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.593 -9.690 0.902 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.627 -8.027 -1.099 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.727 -9.053 0.005 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.244 -8.222 -0.996 1.00 0.00 C ATOM 0 H PHE A 73 -6.214 -12.042 -0.755 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.030 -11.998 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.601 -9.445 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.328 -10.569 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.559 -8.513 -0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.194 -10.331 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.026 -7.386 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.660 -9.203 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.576 -7.731 -1.689 1.00 0.00 H new ATOM 971 N GLU A 74 -8.997 -10.504 1.195 1.00 0.00 N ATOM 972 CA GLU A 74 -10.229 -9.991 0.631 1.00 0.00 C ATOM 973 C GLU A 74 -9.967 -8.667 -0.072 1.00 0.00 C ATOM 974 O GLU A 74 -9.705 -7.657 0.578 1.00 0.00 O ATOM 975 CB GLU A 74 -11.262 -9.819 1.742 1.00 0.00 C ATOM 976 CG GLU A 74 -10.736 -8.828 2.776 1.00 0.00 C ATOM 977 CD GLU A 74 -10.913 -9.370 4.187 1.00 0.00 C ATOM 978 OE1 GLU A 74 -12.050 -9.789 4.495 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.909 -9.355 4.930 1.00 0.00 O ATOM 0 H GLU A 74 -9.014 -10.621 2.208 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.617 -10.696 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.204 -9.461 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.467 -10.780 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.681 -8.627 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.264 -7.879 2.678 1.00 0.00 H new ATOM 986 N GLY A 75 -10.038 -8.672 -1.405 1.00 0.00 N ATOM 987 CA GLY A 75 -9.808 -7.472 -2.184 1.00 0.00 C ATOM 988 C GLY A 75 -10.878 -6.433 -1.880 1.00 0.00 C ATOM 989 O GLY A 75 -11.980 -6.496 -2.422 1.00 0.00 O ATOM 0 H GLY A 75 -10.254 -9.500 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.822 -7.066 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.817 -7.713 -3.247 1.00 0.00 H new ATOM 993 N PHE A 76 -10.552 -5.474 -1.010 1.00 0.00 N ATOM 994 CA PHE A 76 -11.486 -4.430 -0.641 1.00 0.00 C ATOM 995 C PHE A 76 -11.437 -3.307 -1.667 1.00 0.00 C ATOM 996 O PHE A 76 -10.555 -2.453 -1.614 1.00 0.00 O ATOM 997 CB PHE A 76 -11.138 -3.908 0.750 1.00 0.00 C ATOM 998 CG PHE A 76 -12.262 -4.057 1.748 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.489 -5.292 2.366 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -13.074 -2.959 2.058 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.530 -5.430 3.293 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -14.114 -3.097 2.985 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.342 -4.333 3.602 1.00 0.00 C ATOM 0 H PHE A 76 -9.643 -5.407 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.499 -4.832 -0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.261 -4.440 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.865 -2.855 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.862 -6.138 2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.898 -2.006 1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.706 -6.383 3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.740 -2.250 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.145 -4.440 4.317 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.390 -3.309 -2.603 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.451 -2.293 -3.634 1.00 0.00 C ATOM 1015 C LEU A 77 -12.476 -0.911 -2.997 1.00 0.00 C ATOM 1016 O LEU A 77 -13.240 -0.668 -2.066 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.693 -2.515 -4.493 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.190 -1.173 -5.024 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.156 -0.590 -5.983 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.511 -1.376 -5.761 1.00 0.00 C ATOM 0 H LEU A 77 -13.129 -4.010 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.568 -2.362 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.460 -3.183 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.474 -2.997 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.340 -0.486 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.511 0.368 -6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.213 -0.445 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.005 -1.276 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.867 -0.418 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.361 -2.063 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.250 -1.792 -5.076 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.637 -0.003 -3.503 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.570 1.347 -2.981 1.00 0.00 C ATOM 1034 C PHE A 78 -12.975 1.911 -2.824 1.00 0.00 C ATOM 1035 O PHE A 78 -13.252 2.635 -1.870 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.740 2.214 -3.923 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.330 2.452 -3.439 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.449 1.374 -3.291 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.902 3.752 -3.141 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.141 1.596 -2.844 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.594 3.973 -2.694 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.714 2.895 -2.546 1.00 0.00 C ATOM 0 H PHE A 78 -10.997 -0.188 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.093 1.339 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.704 1.739 -4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.238 3.175 -4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.778 0.372 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.581 4.584 -3.256 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.461 0.765 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.264 4.975 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.705 3.066 -2.202 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.862 1.578 -3.764 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.231 2.053 -3.726 1.00 0.00 C ATOM 1054 C ASP A 79 -15.885 1.632 -2.418 1.00 0.00 C ATOM 1055 O ASP A 79 -16.921 2.173 -2.038 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.997 1.490 -4.920 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.950 2.529 -5.493 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.501 3.302 -4.681 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.110 2.530 -6.733 1.00 0.00 O ATOM 0 H ASP A 79 -13.647 0.978 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.245 3.141 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.295 1.171 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.557 0.606 -4.614 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.278 0.664 -1.727 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.809 0.181 -0.468 1.00 0.00 C ATOM 1066 C GLY A 80 -16.655 -1.064 -0.695 1.00 0.00 C ATOM 1067 O GLY A 80 -17.590 -1.329 0.058 1.00 0.00 O ATOM 0 H GLY A 80 -14.418 0.204 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.991 -0.046 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.412 0.958 0.002 1.00 0.00 H new ATOM 1071 N THR A 81 -16.326 -1.830 -1.738 1.00 0.00 N ATOM 1072 CA THR A 81 -17.058 -3.039 -2.055 1.00 0.00 C ATOM 1073 C THR A 81 -16.139 -4.247 -1.942 1.00 0.00 C ATOM 1074 O THR A 81 -14.929 -4.129 -2.127 1.00 0.00 O ATOM 1075 CB THR A 81 -17.635 -2.929 -3.464 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.866 -2.244 -3.415 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.853 -4.328 -4.035 1.00 0.00 C ATOM 0 H THR A 81 -15.554 -1.626 -2.373 1.00 0.00 H new ATOM 0 HA THR A 81 -17.878 -3.166 -1.348 1.00 0.00 H new ATOM 0 HB THR A 81 -16.940 -2.381 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.236 -2.171 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.265 -4.250 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.901 -4.858 -4.073 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.549 -4.876 -3.399 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.716 -5.411 -1.636 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.949 -6.632 -1.499 1.00 0.00 C ATOM 1087 C ARG A 82 -15.671 -7.224 -2.873 1.00 0.00 C ATOM 1088 O ARG A 82 -16.531 -7.883 -3.453 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.721 -7.622 -0.631 1.00 0.00 C ATOM 1090 CG ARG A 82 -16.166 -7.593 0.790 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.117 -9.014 1.346 1.00 0.00 C ATOM 1092 NE ARG A 82 -17.032 -9.166 2.478 1.00 0.00 N ATOM 1093 CZ ARG A 82 -18.349 -9.366 2.325 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -18.878 -9.435 1.095 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -19.136 -9.498 3.401 1.00 0.00 N ATOM 0 H ARG A 82 -17.717 -5.525 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.995 -6.414 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.781 -7.367 -0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.638 -8.627 -1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.168 -7.155 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.792 -6.964 1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.381 -9.724 0.562 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.101 -9.250 1.661 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.652 -9.118 3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.279 -9.335 0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.880 -9.587 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.733 -9.446 4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.138 -9.650 3.285 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.465 -6.987 -3.395 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.085 -7.501 -4.696 1.00 0.00 C ATOM 1111 C TRP A 83 -13.949 -9.015 -4.636 1.00 0.00 C ATOM 1112 O TRP A 83 -14.515 -9.725 -5.463 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.772 -6.857 -5.131 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.562 -6.792 -6.610 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.580 -7.427 -7.288 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.332 -6.064 -7.614 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.689 -7.143 -8.633 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.755 -6.304 -8.890 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -14.459 -5.223 -7.577 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -13.266 -5.744 -10.064 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.980 -4.656 -8.749 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.387 -4.913 -9.991 1.00 0.00 C ATOM 0 H TRP A 83 -13.740 -6.441 -2.929 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.856 -7.256 -5.427 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.729 -5.845 -4.728 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.947 -7.413 -4.686 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.826 -8.060 -6.844 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.060 -7.507 -9.349 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.931 -5.010 -6.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.800 -5.951 -11.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.847 -4.015 -8.693 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.794 -4.471 -10.888 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.194 -9.510 -3.652 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.991 -10.936 -3.493 1.00 0.00 C ATOM 1135 C GLY A 84 -11.550 -11.222 -3.094 1.00 0.00 C ATOM 1136 O GLY A 84 -10.681 -10.365 -3.237 1.00 0.00 O ATOM 0 H GLY A 84 -12.716 -8.936 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.670 -11.325 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.227 -11.450 -4.425 1.00 0.00 H new ATOM 1140 N THR A 85 -11.297 -12.433 -2.591 1.00 0.00 N ATOM 1141 CA THR A 85 -9.964 -12.821 -2.176 1.00 0.00 C ATOM 1142 C THR A 85 -8.999 -12.694 -3.345 1.00 0.00 C ATOM 1143 O THR A 85 -9.002 -13.526 -4.250 1.00 0.00 O ATOM 1144 CB THR A 85 -9.993 -14.255 -1.653 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.250 -14.517 -1.071 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.899 -14.436 -0.604 1.00 0.00 C ATOM 0 H THR A 85 -12.005 -13.156 -2.465 1.00 0.00 H new ATOM 0 HA THR A 85 -9.623 -12.162 -1.378 1.00 0.00 H new ATOM 0 HB THR A 85 -9.823 -14.947 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.270 -15.438 -0.737 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.919 -15.460 -0.230 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.927 -14.233 -1.053 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.069 -13.745 0.222 1.00 0.00 H new ATOM 1154 N VAL A 86 -8.170 -11.648 -3.324 1.00 0.00 N ATOM 1155 CA VAL A 86 -7.204 -11.416 -4.379 1.00 0.00 C ATOM 1156 C VAL A 86 -5.930 -12.197 -4.092 1.00 0.00 C ATOM 1157 O VAL A 86 -5.586 -12.424 -2.934 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.911 -9.922 -4.480 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.242 -9.446 -3.194 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.981 -9.665 -5.662 1.00 0.00 C ATOM 0 H VAL A 86 -8.155 -10.950 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.610 -11.758 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.844 -9.378 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.033 -8.379 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.906 -9.629 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.309 -9.990 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.771 -8.598 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.048 -10.209 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.459 -10.004 -6.581 1.00 0.00 H new ATOM 1170 N ASP A 87 -5.229 -12.609 -5.151 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.999 -13.362 -5.007 1.00 0.00 C ATOM 1172 C ASP A 87 -2.804 -12.440 -5.204 1.00 0.00 C ATOM 1173 O ASP A 87 -2.407 -12.170 -6.335 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.978 -14.500 -6.024 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.335 -15.825 -5.365 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.231 -15.802 -4.494 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.705 -16.835 -5.745 1.00 0.00 O ATOM 0 H ASP A 87 -5.501 -12.429 -6.117 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.943 -13.787 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.683 -14.288 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.989 -14.570 -6.477 1.00 0.00 H new ATOM 1182 N CYS A 88 -2.232 -11.957 -4.099 1.00 0.00 N ATOM 1183 CA CYS A 88 -1.088 -11.069 -4.155 1.00 0.00 C ATOM 1184 C CYS A 88 0.025 -11.715 -4.968 1.00 0.00 C ATOM 1185 O CYS A 88 0.915 -11.026 -5.461 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.614 -10.761 -2.738 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.398 -8.995 -2.403 1.00 0.00 S ATOM 0 H CYS A 88 -2.550 -12.172 -3.154 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.371 -10.135 -4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -1.333 -11.170 -2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.333 -11.272 -2.563 1.00 0.00 H new ATOM 1192 N THR A 89 -0.026 -13.042 -5.107 1.00 0.00 N ATOM 1193 CA THR A 89 0.977 -13.767 -5.860 1.00 0.00 C ATOM 1194 C THR A 89 0.525 -13.932 -7.303 1.00 0.00 C ATOM 1195 O THR A 89 1.213 -14.560 -8.105 1.00 0.00 O ATOM 1196 CB THR A 89 1.214 -15.127 -5.209 1.00 0.00 C ATOM 1197 OG1 THR A 89 -0.013 -15.809 -5.085 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.828 -14.929 -3.825 1.00 0.00 C ATOM 0 H THR A 89 -0.756 -13.629 -4.704 1.00 0.00 H new ATOM 0 HA THR A 89 1.912 -13.207 -5.857 1.00 0.00 H new ATOM 0 HB THR A 89 1.894 -15.712 -5.828 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.139 -16.683 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.997 -15.900 -3.360 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.777 -14.402 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.148 -14.344 -3.206 1.00 0.00 H new ATOM 1206 N THR A 90 -0.638 -13.366 -7.635 1.00 0.00 N ATOM 1207 CA THR A 90 -1.172 -13.454 -8.979 1.00 0.00 C ATOM 1208 C THR A 90 -1.019 -12.115 -9.686 1.00 0.00 C ATOM 1209 O THR A 90 -0.979 -12.059 -10.913 1.00 0.00 O ATOM 1210 CB THR A 90 -2.639 -13.868 -8.916 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.727 -15.244 -8.619 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.303 -13.595 -10.262 1.00 0.00 C ATOM 0 H THR A 90 -1.223 -12.843 -6.983 1.00 0.00 H new ATOM 0 HA THR A 90 -0.620 -14.204 -9.545 1.00 0.00 H new ATOM 0 HB THR A 90 -3.145 -13.295 -8.139 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.669 -15.510 -8.577 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.351 -13.891 -10.217 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.235 -12.532 -10.492 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.797 -14.167 -11.040 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.935 -11.034 -8.907 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.789 -9.703 -9.460 1.00 0.00 C ATOM 1222 C ALA A 91 0.219 -8.911 -8.639 1.00 0.00 C ATOM 1223 O ALA A 91 0.758 -9.418 -7.658 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.146 -9.005 -9.470 1.00 0.00 C ATOM 0 H ALA A 91 -0.967 -11.064 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.422 -9.769 -10.484 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.037 -8.003 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.845 -9.577 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.527 -8.935 -8.451 1.00 0.00 H new ATOM 1230 N ALA A 92 0.474 -7.665 -9.044 1.00 0.00 N ATOM 1231 CA ALA A 92 1.416 -6.812 -8.347 1.00 0.00 C ATOM 1232 C ALA A 92 0.688 -6.004 -7.282 1.00 0.00 C ATOM 1233 O ALA A 92 -0.284 -5.314 -7.580 1.00 0.00 O ATOM 1234 CB ALA A 92 2.104 -5.890 -9.349 1.00 0.00 C ATOM 0 H ALA A 92 0.035 -7.230 -9.856 1.00 0.00 H new ATOM 0 HA ALA A 92 2.174 -7.424 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.813 -5.248 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.635 -6.489 -10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.357 -5.274 -9.849 1.00 0.00 H new ATOM 1240 N CYS A 93 1.161 -6.092 -6.037 1.00 0.00 N ATOM 1241 CA CYS A 93 0.556 -5.371 -4.935 1.00 0.00 C ATOM 1242 C CYS A 93 1.423 -4.177 -4.562 1.00 0.00 C ATOM 1243 O CYS A 93 2.591 -4.115 -4.939 1.00 0.00 O ATOM 1244 CB CYS A 93 0.388 -6.311 -3.745 1.00 0.00 C ATOM 1245 SG CYS A 93 0.032 -8.025 -4.205 1.00 0.00 S ATOM 0 H CYS A 93 1.966 -6.661 -5.775 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.426 -5.002 -5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.298 -6.288 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.419 -5.940 -3.113 1.00 0.00 H new ATOM 1250 N GLN A 94 0.848 -3.228 -3.821 1.00 0.00 N ATOM 1251 CA GLN A 94 1.571 -2.043 -3.403 1.00 0.00 C ATOM 1252 C GLN A 94 0.969 -1.498 -2.115 1.00 0.00 C ATOM 1253 O GLN A 94 -0.233 -1.618 -1.890 1.00 0.00 O ATOM 1254 CB GLN A 94 1.512 -0.996 -4.512 1.00 0.00 C ATOM 1255 CG GLN A 94 0.419 0.021 -4.196 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.104 0.670 -5.469 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.581 -0.019 -6.369 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.012 1.999 -5.545 1.00 0.00 N ATOM 0 H GLN A 94 -0.120 -3.265 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 94 2.614 -2.296 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.475 -0.494 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.310 -1.476 -5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.400 -0.471 -3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.812 0.787 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.392 2.527 -4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.346 2.487 -6.377 1.00 0.00 H new ATOM 1267 N VAL A 95 1.810 -0.897 -1.270 1.00 0.00 N ATOM 1268 CA VAL A 95 1.359 -0.337 -0.012 1.00 0.00 C ATOM 1269 C VAL A 95 1.229 1.174 -0.138 1.00 0.00 C ATOM 1270 O VAL A 95 1.802 1.775 -1.044 1.00 0.00 O ATOM 1271 CB VAL A 95 2.347 -0.705 1.091 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.146 0.223 2.285 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.111 -2.149 1.524 1.00 0.00 C ATOM 0 H VAL A 95 2.809 -0.790 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 95 0.381 -0.746 0.243 1.00 0.00 H new ATOM 0 HB VAL A 95 3.365 -0.599 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.852 -0.040 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.314 1.255 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.128 0.118 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.817 -2.413 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.093 -2.255 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.255 -2.813 0.671 1.00 0.00 H new ATOM 1283 N GLY A 96 0.474 1.790 0.775 1.00 0.00 N ATOM 1284 CA GLY A 96 0.277 3.225 0.757 1.00 0.00 C ATOM 1285 C GLY A 96 -0.603 3.652 1.924 1.00 0.00 C ATOM 1286 O GLY A 96 -1.242 2.817 2.560 1.00 0.00 O ATOM 0 H GLY A 96 -0.008 1.308 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.240 3.732 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.185 3.524 -0.184 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.634 4.957 2.203 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.433 5.488 3.289 1.00 0.00 C ATOM 1292 C LEU A 97 -2.286 6.644 2.786 1.00 0.00 C ATOM 1293 O LEU A 97 -1.774 7.569 2.158 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.515 5.946 4.419 1.00 0.00 C ATOM 1295 CG LEU A 97 0.377 7.080 3.922 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.395 8.203 4.955 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.795 6.558 3.712 1.00 0.00 C ATOM 0 H LEU A 97 -0.109 5.661 1.684 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.097 4.712 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.108 6.282 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.097 5.113 4.765 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.012 7.461 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.032 9.013 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.618 8.577 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.784 7.822 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.432 7.368 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.186 6.176 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.782 5.756 2.974 1.00 0.00 H new ATOM 1309 N SER A 98 -3.590 6.591 3.064 1.00 0.00 N ATOM 1310 CA SER A 98 -4.505 7.632 2.641 1.00 0.00 C ATOM 1311 C SER A 98 -4.960 8.442 3.846 1.00 0.00 C ATOM 1312 O SER A 98 -5.009 7.926 4.961 1.00 0.00 O ATOM 1313 CB SER A 98 -5.699 7.001 1.931 1.00 0.00 C ATOM 1314 OG SER A 98 -5.306 6.565 0.649 1.00 0.00 O ATOM 0 H SER A 98 -4.030 5.831 3.583 1.00 0.00 H new ATOM 0 HA SER A 98 -4.000 8.304 1.947 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.079 6.161 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.510 7.724 1.848 1.00 0.00 H new ATOM 0 HG SER A 98 -6.072 6.158 0.193 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.294 9.714 3.621 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.743 10.587 4.687 1.00 0.00 C ATOM 1322 C ASP A 99 -7.205 10.953 4.472 1.00 0.00 C ATOM 1323 O ASP A 99 -7.908 10.288 3.714 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.871 11.839 4.719 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.450 12.928 3.827 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.463 12.707 2.597 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.869 13.962 4.392 1.00 0.00 O ATOM 0 H ASP A 99 -5.259 10.156 2.703 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.654 10.074 5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.792 12.206 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.862 11.592 4.390 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.661 12.014 5.141 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.034 12.461 5.021 1.00 0.00 C ATOM 1334 C ALA A 100 -9.309 12.906 3.591 1.00 0.00 C ATOM 1335 O ALA A 100 -10.306 12.506 2.995 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.284 13.604 6.000 1.00 0.00 C ATOM 0 H ALA A 100 -7.090 12.576 5.772 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.710 11.640 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.317 13.941 5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.102 13.258 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.612 14.431 5.773 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.419 13.736 3.042 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.570 14.231 1.688 1.00 0.00 C ATOM 1344 C ALA A 101 -8.314 13.106 0.696 1.00 0.00 C ATOM 1345 O ALA A 101 -8.799 13.148 -0.432 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.599 15.386 1.459 1.00 0.00 C ATOM 0 H ALA A 101 -7.586 14.076 3.523 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.587 14.594 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.711 15.759 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.814 16.188 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.577 15.037 1.607 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.549 12.096 1.118 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.236 10.969 0.263 1.00 0.00 C ATOM 1354 C GLY A 102 -5.907 11.196 -0.443 1.00 0.00 C ATOM 1355 O GLY A 102 -5.829 11.114 -1.667 1.00 0.00 O ATOM 0 H GLY A 102 -7.138 12.044 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.189 10.056 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.028 10.831 -0.473 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.859 11.483 0.332 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.541 11.719 -0.222 1.00 0.00 C ATOM 1361 C ASN A 103 -2.510 10.873 0.511 1.00 0.00 C ATOM 1362 O ASN A 103 -2.825 10.239 1.516 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.202 13.203 -0.108 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.341 13.471 1.118 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.252 14.028 1.004 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.833 13.073 2.294 1.00 0.00 N ATOM 0 H ASN A 103 -4.907 11.556 1.348 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.530 11.435 -1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.676 13.530 -1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.121 13.786 -0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.299 13.228 3.149 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.743 12.614 2.337 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.274 10.864 0.007 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.208 10.096 0.618 1.00 0.00 C ATOM 1375 C GLY A 104 1.104 10.339 -0.115 1.00 0.00 C ATOM 1376 O GLY A 104 1.151 11.110 -1.071 1.00 0.00 O ATOM 0 H GLY A 104 -0.995 11.384 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.104 10.375 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.455 9.035 0.594 1.00 0.00 H new ATOM 1380 N PRO A 105 2.172 9.677 0.336 1.00 0.00 N ATOM 1381 CA PRO A 105 3.498 9.781 -0.234 1.00 0.00 C ATOM 1382 C PRO A 105 3.533 9.064 -1.577 1.00 0.00 C ATOM 1383 O PRO A 105 2.679 8.226 -1.858 1.00 0.00 O ATOM 1384 CB PRO A 105 4.414 9.095 0.776 1.00 0.00 C ATOM 1385 CG PRO A 105 3.499 8.045 1.405 1.00 0.00 C ATOM 1386 CD PRO A 105 2.152 8.763 1.458 1.00 0.00 C ATOM 0 HA PRO A 105 3.803 10.812 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.279 8.640 0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.795 9.796 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.451 7.137 0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.841 7.752 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.325 8.057 1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.026 9.297 2.400 1.00 0.00 H new ATOM 1394 N GLU A 106 4.524 9.397 -2.408 1.00 0.00 N ATOM 1395 CA GLU A 106 4.661 8.784 -3.713 1.00 0.00 C ATOM 1396 C GLU A 106 4.238 7.323 -3.649 1.00 0.00 C ATOM 1397 O GLU A 106 4.773 6.553 -2.854 1.00 0.00 O ATOM 1398 CB GLU A 106 6.109 8.907 -4.181 1.00 0.00 C ATOM 1399 CG GLU A 106 6.150 9.636 -5.521 1.00 0.00 C ATOM 1400 CD GLU A 106 7.582 9.783 -6.015 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.071 8.815 -6.637 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.161 10.862 -5.762 1.00 0.00 O ATOM 0 H GLU A 106 5.240 10.090 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 106 4.015 9.295 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.697 9.450 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.556 7.918 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.562 9.087 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.694 10.620 -5.418 1.00 0.00 H new ATOM 1409 N GLY A 107 3.273 6.942 -4.489 1.00 0.00 N ATOM 1410 CA GLY A 107 2.787 5.577 -4.520 1.00 0.00 C ATOM 1411 C GLY A 107 3.924 4.605 -4.237 1.00 0.00 C ATOM 1412 O GLY A 107 5.080 4.895 -4.536 1.00 0.00 O ATOM 0 H GLY A 107 2.818 7.567 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.997 5.448 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.349 5.362 -5.495 1.00 0.00 H new ATOM 1416 N VAL A 108 3.592 3.449 -3.658 1.00 0.00 N ATOM 1417 CA VAL A 108 4.583 2.441 -3.337 1.00 0.00 C ATOM 1418 C VAL A 108 4.299 1.170 -4.125 1.00 0.00 C ATOM 1419 O VAL A 108 3.404 0.406 -3.771 1.00 0.00 O ATOM 1420 CB VAL A 108 4.559 2.165 -1.837 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.581 1.083 -1.502 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.905 3.444 -1.079 1.00 0.00 C ATOM 0 H VAL A 108 2.637 3.195 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 108 5.575 2.800 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 108 3.564 1.827 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.564 0.886 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.334 0.169 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.576 1.420 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.888 3.248 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.900 3.782 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.175 4.217 -1.318 1.00 0.00 H new ATOM 1432 N ALA A 109 5.064 0.946 -5.195 1.00 0.00 N ATOM 1433 CA ALA A 109 4.891 -0.229 -6.026 1.00 0.00 C ATOM 1434 C ALA A 109 5.613 -1.414 -5.400 1.00 0.00 C ATOM 1435 O ALA A 109 6.737 -1.276 -4.922 1.00 0.00 O ATOM 1436 CB ALA A 109 5.430 0.055 -7.425 1.00 0.00 C ATOM 0 H ALA A 109 5.810 1.571 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 109 3.831 -0.473 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.301 -0.828 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.886 0.892 -7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.489 0.304 -7.363 1.00 0.00 H new ATOM 1442 N ILE A 110 4.964 -2.580 -5.405 1.00 0.00 N ATOM 1443 CA ILE A 110 5.544 -3.782 -4.841 1.00 0.00 C ATOM 1444 C ILE A 110 5.158 -4.987 -5.688 1.00 0.00 C ATOM 1445 O ILE A 110 4.450 -4.847 -6.682 1.00 0.00 O ATOM 1446 CB ILE A 110 5.060 -3.954 -3.403 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.537 -3.867 -3.365 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.655 -2.852 -2.532 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.997 -4.850 -2.330 1.00 0.00 C ATOM 0 H ILE A 110 4.032 -2.709 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 110 6.631 -3.699 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 110 5.377 -4.926 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.226 -2.852 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.124 -4.094 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.310 -2.974 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.743 -2.914 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.338 -1.880 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.909 -4.788 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.296 -5.863 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.399 -4.602 -1.348 1.00 0.00 H new ATOM 1461 N SER A 111 5.627 -6.172 -5.293 1.00 0.00 N ATOM 1462 CA SER A 111 5.328 -7.392 -6.016 1.00 0.00 C ATOM 1463 C SER A 111 5.955 -8.582 -5.305 1.00 0.00 C ATOM 1464 O SER A 111 6.626 -8.418 -4.288 1.00 0.00 O ATOM 1465 CB SER A 111 5.854 -7.276 -7.444 1.00 0.00 C ATOM 1466 OG SER A 111 4.790 -7.456 -8.352 1.00 0.00 O ATOM 0 H SER A 111 6.217 -6.304 -4.472 1.00 0.00 H new ATOM 0 HA SER A 111 4.249 -7.544 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.314 -6.300 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.627 -8.024 -7.620 1.00 0.00 H new ATOM 0 HG SER A 111 5.126 -7.380 -9.269 1.00 0.00 H new ATOM 1472 N PHE A 112 5.737 -9.784 -5.843 1.00 0.00 N ATOM 1473 CA PHE A 112 6.283 -10.992 -5.257 1.00 0.00 C ATOM 1474 C PHE A 112 7.069 -11.765 -6.307 1.00 0.00 C ATOM 1475 O PHE A 112 6.502 -12.228 -7.294 1.00 0.00 O ATOM 1476 CB PHE A 112 5.146 -11.843 -4.697 1.00 0.00 C ATOM 1477 CG PHE A 112 4.123 -11.047 -3.923 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.314 -10.115 -4.584 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.982 -11.243 -2.544 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.364 -9.379 -3.866 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.032 -10.507 -1.826 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.223 -9.575 -2.487 1.00 0.00 C ATOM 0 H PHE A 112 5.184 -9.938 -6.686 1.00 0.00 H new ATOM 0 HA PHE A 112 6.960 -10.733 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.648 -12.357 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.564 -12.612 -4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.423 -9.964 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.606 -11.962 -2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.740 -8.660 -4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.923 -10.658 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.490 -9.007 -1.933 1.00 0.00 H new ATOM 1492 N ASN A 113 8.379 -11.904 -6.091 1.00 0.00 N ATOM 1493 CA ASN A 113 9.233 -12.620 -7.018 1.00 0.00 C ATOM 1494 C ASN A 113 10.692 -12.445 -6.620 1.00 0.00 C ATOM 1495 O ASN A 113 11.564 -13.151 -7.122 1.00 0.00 O ATOM 1496 CB ASN A 113 8.993 -12.101 -8.433 1.00 0.00 C ATOM 1497 CG ASN A 113 9.106 -10.584 -8.482 1.00 0.00 C ATOM 1498 OD1 ASN A 113 10.205 -10.045 -8.588 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.965 -9.896 -8.406 1.00 0.00 N ATOM 0 H ASN A 113 8.865 -11.526 -5.278 1.00 0.00 H new ATOM 0 HA ASN A 113 8.995 -13.683 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.717 -12.546 -9.115 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.004 -12.407 -8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.981 -8.877 -8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.077 -10.390 -8.319 1.00 0.00 H new TER 1506 ASN A 113