USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 741 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 MET CE :methyl 136:sc= -0.244 (180deg=-4.31!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -140:sc= -0.0392 (180deg=-1.3) USER MOD Single : A 7 ASN : amide:sc= -1.98 K(o=-2,f=-4.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0469 K(o=-0.047,f=-1.7!) USER MOD Single : A 28 ASN : amide:sc= -0.563 K(o=-0.56,f=-4.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -142:sc= -1.62 (180deg=-4.33!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0899 K(o=-0.09,f=-1.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 100:sc= -0.458 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.484 K(o=-0.48,f=-6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 75 ASN : amide:sc= -0.387 K(o=-0.39,f=-2!) USER MOD Single : A 76 THR OG1 : rot -87:sc= 1.24 USER MOD Single : A 79 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.5!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.689 -9.257 -14.891 1.00 0.00 N ATOM 2 CA MET A 1 -11.426 -9.100 -13.436 1.00 0.00 C ATOM 3 C MET A 1 -12.141 -10.178 -12.628 1.00 0.00 C ATOM 4 O MET A 1 -13.224 -9.948 -12.089 1.00 0.00 O ATOM 5 CB MET A 1 -11.901 -7.712 -13.002 1.00 0.00 C ATOM 6 CG MET A 1 -10.853 -6.626 -13.185 1.00 0.00 C ATOM 7 SD MET A 1 -11.290 -5.091 -12.346 1.00 0.00 S ATOM 8 CE MET A 1 -9.832 -4.102 -12.666 1.00 0.00 C ATOM 0 H1 MET A 1 -11.191 -8.511 -15.416 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.350 -10.188 -15.207 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.711 -9.182 -15.069 1.00 0.00 H new ATOM 0 HA MET A 1 -10.357 -9.206 -13.251 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.791 -7.447 -13.573 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.195 -7.749 -11.953 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.895 -6.983 -12.806 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.721 -6.429 -14.249 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.951 -3.120 -12.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.957 -4.596 -12.243 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.699 -3.988 -13.742 1.00 0.00 H new ATOM 20 N ALA A 2 -11.530 -11.355 -12.549 1.00 0.00 N ATOM 21 CA ALA A 2 -12.109 -12.468 -11.806 1.00 0.00 C ATOM 22 C ALA A 2 -11.739 -12.393 -10.329 1.00 0.00 C ATOM 23 O ALA A 2 -12.560 -12.018 -9.492 1.00 0.00 O ATOM 24 CB ALA A 2 -11.652 -13.792 -12.401 1.00 0.00 C ATOM 0 H ALA A 2 -10.634 -11.563 -12.990 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.194 -12.402 -11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.091 -14.615 -11.837 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.972 -13.853 -13.441 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.565 -13.857 -12.351 1.00 0.00 H new ATOM 30 N LEU A 3 -10.498 -12.754 -10.017 1.00 0.00 N ATOM 31 CA LEU A 3 -10.017 -12.728 -8.639 1.00 0.00 C ATOM 32 C LEU A 3 -10.819 -13.686 -7.764 1.00 0.00 C ATOM 33 O LEU A 3 -12.001 -13.925 -8.007 1.00 0.00 O ATOM 34 CB LEU A 3 -10.102 -11.309 -8.072 1.00 0.00 C ATOM 35 CG LEU A 3 -8.856 -10.449 -8.291 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.237 -8.984 -8.437 1.00 0.00 C ATOM 37 CD2 LEU A 3 -7.873 -10.635 -7.146 1.00 0.00 C ATOM 0 H LEU A 3 -9.807 -13.068 -10.699 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.976 -13.050 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.957 -10.805 -8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.297 -11.373 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.373 -10.771 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.338 -8.388 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.903 -8.865 -9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.744 -8.648 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.993 -10.016 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.346 -10.341 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.575 -11.682 -7.089 1.00 0.00 H new ATOM 49 N LEU A 4 -10.165 -14.235 -6.745 1.00 0.00 N ATOM 50 CA LEU A 4 -10.816 -15.168 -5.833 1.00 0.00 C ATOM 51 C LEU A 4 -11.412 -14.434 -4.637 1.00 0.00 C ATOM 52 O LEU A 4 -10.998 -13.322 -4.310 1.00 0.00 O ATOM 53 CB LEU A 4 -9.819 -16.224 -5.353 1.00 0.00 C ATOM 54 CG LEU A 4 -10.404 -17.623 -5.149 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.712 -18.272 -6.490 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.446 -18.487 -4.343 1.00 0.00 C ATOM 0 H LEU A 4 -9.185 -14.050 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.624 -15.660 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.006 -16.289 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.383 -15.889 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.336 -17.531 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.127 -19.266 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.434 -17.662 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.795 -18.353 -7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.877 -19.479 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.498 -18.573 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.275 -18.029 -3.369 1.00 0.00 H new ATOM 68 N LYS A 5 -12.386 -15.062 -3.988 1.00 0.00 N ATOM 69 CA LYS A 5 -13.039 -14.469 -2.827 1.00 0.00 C ATOM 70 C LYS A 5 -12.036 -14.225 -1.704 1.00 0.00 C ATOM 71 O LYS A 5 -11.959 -13.127 -1.155 1.00 0.00 O ATOM 72 CB LYS A 5 -14.167 -15.374 -2.331 1.00 0.00 C ATOM 73 CG LYS A 5 -15.374 -14.612 -1.808 1.00 0.00 C ATOM 74 CD LYS A 5 -16.450 -14.474 -2.874 1.00 0.00 C ATOM 75 CE LYS A 5 -16.376 -13.123 -3.567 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.517 -13.169 -4.783 1.00 0.00 N ATOM 0 H LYS A 5 -12.741 -15.983 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.459 -13.510 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.484 -16.025 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.783 -16.018 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.784 -15.129 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.064 -13.622 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.338 -15.269 -3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.433 -14.598 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.380 -12.801 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.983 -12.380 -2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.949 -12.300 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.885 -13.993 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.117 -13.247 -5.629 1.00 0.00 H new ATOM 90 N ALA A 6 -11.270 -15.258 -1.368 1.00 0.00 N ATOM 91 CA ALA A 6 -10.272 -15.156 -0.310 1.00 0.00 C ATOM 92 C ALA A 6 -9.083 -14.310 -0.757 1.00 0.00 C ATOM 93 O ALA A 6 -8.447 -13.639 0.055 1.00 0.00 O ATOM 94 CB ALA A 6 -9.807 -16.542 0.111 1.00 0.00 C ATOM 0 H ALA A 6 -11.321 -16.174 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.734 -14.664 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.062 -16.451 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.658 -17.115 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.367 -17.054 -0.745 1.00 0.00 H new ATOM 100 N ASN A 7 -8.790 -14.348 -2.052 1.00 0.00 N ATOM 101 CA ASN A 7 -7.678 -13.586 -2.606 1.00 0.00 C ATOM 102 C ASN A 7 -7.980 -12.091 -2.586 1.00 0.00 C ATOM 103 O ASN A 7 -7.158 -11.287 -2.145 1.00 0.00 O ATOM 104 CB ASN A 7 -7.382 -14.039 -4.037 1.00 0.00 C ATOM 105 CG ASN A 7 -6.554 -15.308 -4.083 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.455 -15.325 -4.638 1.00 0.00 O ATOM 107 ND2 ASN A 7 -7.079 -16.379 -3.498 1.00 0.00 N ATOM 0 H ASN A 7 -9.307 -14.898 -2.737 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.801 -13.770 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.322 -14.202 -4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.854 -13.245 -4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.568 -17.262 -3.497 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.993 -16.319 -3.050 1.00 0.00 H new ATOM 114 N LYS A 8 -9.165 -11.726 -3.066 1.00 0.00 N ATOM 115 CA LYS A 8 -9.575 -10.327 -3.102 1.00 0.00 C ATOM 116 C LYS A 8 -9.803 -9.789 -1.692 1.00 0.00 C ATOM 117 O LYS A 8 -9.588 -8.607 -1.425 1.00 0.00 O ATOM 118 CB LYS A 8 -10.851 -10.169 -3.932 1.00 0.00 C ATOM 119 CG LYS A 8 -11.234 -8.721 -4.190 1.00 0.00 C ATOM 120 CD LYS A 8 -12.616 -8.614 -4.812 1.00 0.00 C ATOM 121 CE LYS A 8 -12.681 -7.488 -5.833 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.080 -7.189 -6.243 1.00 0.00 N ATOM 0 H LYS A 8 -9.857 -12.379 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.773 -9.752 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.718 -10.677 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.673 -10.667 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.211 -8.165 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.499 -8.261 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.874 -9.558 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.356 -8.441 -4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.226 -6.591 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.096 -7.760 -6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.080 -6.416 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.506 -8.037 -6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.633 -6.904 -5.409 1.00 0.00 H new ATOM 136 N ASP A 9 -10.239 -10.667 -0.795 1.00 0.00 N ATOM 137 CA ASP A 9 -10.496 -10.280 0.589 1.00 0.00 C ATOM 138 C ASP A 9 -9.199 -9.909 1.299 1.00 0.00 C ATOM 139 O ASP A 9 -9.191 -9.063 2.194 1.00 0.00 O ATOM 140 CB ASP A 9 -11.194 -11.417 1.336 1.00 0.00 C ATOM 141 CG ASP A 9 -11.868 -10.944 2.610 1.00 0.00 C ATOM 142 OD1 ASP A 9 -12.780 -10.094 2.518 1.00 0.00 O ATOM 143 OD2 ASP A 9 -11.485 -11.422 3.697 1.00 0.00 O ATOM 0 H ASP A 9 -10.422 -11.649 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.147 -9.406 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.937 -11.874 0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.465 -12.190 1.579 1.00 0.00 H new ATOM 148 N LEU A 10 -8.105 -10.545 0.895 1.00 0.00 N ATOM 149 CA LEU A 10 -6.803 -10.283 1.491 1.00 0.00 C ATOM 150 C LEU A 10 -6.303 -8.892 1.111 1.00 0.00 C ATOM 151 O LEU A 10 -5.841 -8.133 1.963 1.00 0.00 O ATOM 152 CB LEU A 10 -5.798 -11.346 1.044 1.00 0.00 C ATOM 153 CG LEU A 10 -5.349 -12.313 2.141 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.302 -13.277 1.606 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.807 -11.545 3.338 1.00 0.00 C ATOM 0 H LEU A 10 -8.096 -11.247 0.155 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.906 -10.325 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.239 -11.922 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.918 -10.845 0.639 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.214 -12.892 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.994 -13.957 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.723 -13.850 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.437 -12.716 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.492 -12.248 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.954 -10.941 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.586 -10.895 3.736 1.00 0.00 H new ATOM 167 N ILE A 11 -6.398 -8.566 -0.174 1.00 0.00 N ATOM 168 CA ILE A 11 -5.956 -7.269 -0.667 1.00 0.00 C ATOM 169 C ILE A 11 -6.889 -6.158 -0.199 1.00 0.00 C ATOM 170 O ILE A 11 -6.453 -5.040 0.074 1.00 0.00 O ATOM 171 CB ILE A 11 -5.880 -7.246 -2.206 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.090 -8.453 -2.717 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.247 -5.949 -2.687 1.00 0.00 C ATOM 174 CD1 ILE A 11 -4.975 -8.504 -4.225 1.00 0.00 C ATOM 0 H ILE A 11 -6.777 -9.183 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.959 -7.100 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.893 -7.302 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.090 -8.432 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.570 -9.367 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.201 -5.949 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.847 -5.104 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.239 -5.864 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.403 -9.385 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.971 -8.556 -4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.468 -7.608 -4.582 1.00 0.00 H new ATOM 186 N SER A 12 -8.179 -6.473 -0.108 1.00 0.00 N ATOM 187 CA SER A 12 -9.174 -5.501 0.327 1.00 0.00 C ATOM 188 C SER A 12 -8.839 -4.962 1.715 1.00 0.00 C ATOM 189 O SER A 12 -8.935 -3.760 1.964 1.00 0.00 O ATOM 190 CB SER A 12 -10.566 -6.135 0.337 1.00 0.00 C ATOM 191 OG SER A 12 -11.577 -5.150 0.192 1.00 0.00 O ATOM 0 H SER A 12 -8.558 -7.394 -0.330 1.00 0.00 H new ATOM 0 HA SER A 12 -9.165 -4.670 -0.378 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.644 -6.862 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.715 -6.679 1.270 1.00 0.00 H new ATOM 0 HG SER A 12 -12.457 -5.581 0.200 1.00 0.00 H new ATOM 197 N ALA A 13 -8.442 -5.856 2.612 1.00 0.00 N ATOM 198 CA ALA A 13 -8.088 -5.468 3.971 1.00 0.00 C ATOM 199 C ALA A 13 -6.928 -4.481 3.970 1.00 0.00 C ATOM 200 O ALA A 13 -6.966 -3.461 4.659 1.00 0.00 O ATOM 201 CB ALA A 13 -7.739 -6.696 4.798 1.00 0.00 C ATOM 0 H ALA A 13 -8.357 -6.855 2.423 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.951 -4.977 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.477 -6.390 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.597 -7.367 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.893 -7.212 4.344 1.00 0.00 H new ATOM 207 N GLY A 14 -5.899 -4.789 3.188 1.00 0.00 N ATOM 208 CA GLY A 14 -4.741 -3.917 3.106 1.00 0.00 C ATOM 209 C GLY A 14 -5.058 -2.600 2.426 1.00 0.00 C ATOM 210 O GLY A 14 -4.501 -1.561 2.781 1.00 0.00 O ATOM 0 H GLY A 14 -5.846 -5.627 2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.364 -3.723 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.946 -4.423 2.559 1.00 0.00 H new ATOM 214 N LEU A 15 -5.954 -2.643 1.445 1.00 0.00 N ATOM 215 CA LEU A 15 -6.345 -1.444 0.712 1.00 0.00 C ATOM 216 C LEU A 15 -6.904 -0.386 1.658 1.00 0.00 C ATOM 217 O LEU A 15 -6.520 0.782 1.597 1.00 0.00 O ATOM 218 CB LEU A 15 -7.381 -1.792 -0.360 1.00 0.00 C ATOM 219 CG LEU A 15 -7.010 -1.369 -1.781 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.100 -1.772 -2.761 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.763 0.132 -1.842 1.00 0.00 C ATOM 0 H LEU A 15 -6.423 -3.496 1.139 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.457 -1.037 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.544 -2.870 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.328 -1.323 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.090 -1.881 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.817 -1.462 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.229 -2.854 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.037 -1.289 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.500 0.416 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.666 0.662 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.946 0.394 -1.170 1.00 0.00 H new ATOM 233 N LYS A 16 -7.813 -0.803 2.534 1.00 0.00 N ATOM 234 CA LYS A 16 -8.424 0.108 3.494 1.00 0.00 C ATOM 235 C LYS A 16 -7.413 0.550 4.546 1.00 0.00 C ATOM 236 O LYS A 16 -7.491 1.662 5.068 1.00 0.00 O ATOM 237 CB LYS A 16 -9.623 -0.560 4.170 1.00 0.00 C ATOM 238 CG LYS A 16 -9.256 -1.798 4.972 1.00 0.00 C ATOM 239 CD LYS A 16 -10.403 -2.243 5.865 1.00 0.00 C ATOM 240 CE LYS A 16 -10.220 -1.754 7.292 1.00 0.00 C ATOM 241 NZ LYS A 16 -9.625 -2.801 8.167 1.00 0.00 N ATOM 0 H LYS A 16 -8.142 -1.766 2.598 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.765 0.990 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.106 0.161 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.353 -0.834 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.988 -2.607 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.377 -1.590 5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.344 -1.863 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.470 -3.331 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.579 -0.872 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.185 -1.448 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.517 -2.427 9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.249 -3.633 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.693 -3.075 7.796 1.00 0.00 H new ATOM 255 N GLU A 17 -6.463 -0.329 4.852 1.00 0.00 N ATOM 256 CA GLU A 17 -5.435 -0.029 5.842 1.00 0.00 C ATOM 257 C GLU A 17 -4.623 1.195 5.429 1.00 0.00 C ATOM 258 O GLU A 17 -4.271 2.029 6.263 1.00 0.00 O ATOM 259 CB GLU A 17 -4.508 -1.231 6.026 1.00 0.00 C ATOM 260 CG GLU A 17 -4.990 -2.215 7.079 1.00 0.00 C ATOM 261 CD GLU A 17 -4.028 -3.370 7.283 1.00 0.00 C ATOM 262 OE1 GLU A 17 -3.898 -4.203 6.362 1.00 0.00 O ATOM 263 OE2 GLU A 17 -3.404 -3.439 8.362 1.00 0.00 O ATOM 0 H GLU A 17 -6.384 -1.254 4.429 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.930 0.187 6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.408 -1.751 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.515 -0.875 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.128 -1.691 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.964 -2.606 6.786 1.00 0.00 H new ATOM 270 N PHE A 18 -4.331 1.296 4.136 1.00 0.00 N ATOM 271 CA PHE A 18 -3.561 2.418 3.612 1.00 0.00 C ATOM 272 C PHE A 18 -4.401 3.692 3.597 1.00 0.00 C ATOM 273 O PHE A 18 -3.894 4.784 3.848 1.00 0.00 O ATOM 274 CB PHE A 18 -3.061 2.106 2.201 1.00 0.00 C ATOM 275 CG PHE A 18 -1.679 2.626 1.927 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.564 1.936 2.375 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.495 3.804 1.220 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.710 2.412 2.124 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.224 4.284 0.966 1.00 0.00 C ATOM 280 CZ PHE A 18 0.880 3.587 1.419 1.00 0.00 C ATOM 0 H PHE A 18 -4.616 0.615 3.432 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.704 2.576 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.071 1.026 2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.753 2.535 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.691 1.016 2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.354 4.353 0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.571 1.865 2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.094 5.203 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.874 3.961 1.222 1.00 0.00 H new ATOM 290 N SER A 19 -5.688 3.543 3.301 1.00 0.00 N ATOM 291 CA SER A 19 -6.598 4.680 3.253 1.00 0.00 C ATOM 292 C SER A 19 -6.794 5.279 4.642 1.00 0.00 C ATOM 293 O SER A 19 -6.650 6.487 4.834 1.00 0.00 O ATOM 294 CB SER A 19 -7.949 4.255 2.674 1.00 0.00 C ATOM 295 OG SER A 19 -7.898 4.184 1.260 1.00 0.00 O ATOM 0 H SER A 19 -6.124 2.645 3.091 1.00 0.00 H new ATOM 0 HA SER A 19 -6.156 5.439 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.233 3.284 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.718 4.965 2.978 1.00 0.00 H new ATOM 0 HG SER A 19 -8.773 3.909 0.915 1.00 0.00 H new ATOM 301 N VAL A 20 -7.122 4.428 5.608 1.00 0.00 N ATOM 302 CA VAL A 20 -7.335 4.872 6.979 1.00 0.00 C ATOM 303 C VAL A 20 -6.059 5.466 7.566 1.00 0.00 C ATOM 304 O VAL A 20 -6.081 6.531 8.182 1.00 0.00 O ATOM 305 CB VAL A 20 -7.822 3.714 7.876 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.716 2.694 8.108 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.351 4.249 9.198 1.00 0.00 C ATOM 0 H VAL A 20 -7.246 3.426 5.466 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.107 5.641 6.950 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.637 3.207 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.089 1.891 8.743 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.395 2.281 7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.870 3.179 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.690 3.418 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.558 4.788 9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.185 4.925 9.009 1.00 0.00 H new ATOM 317 N LEU A 21 -4.950 4.765 7.366 1.00 0.00 N ATOM 318 CA LEU A 21 -3.658 5.213 7.872 1.00 0.00 C ATOM 319 C LEU A 21 -3.295 6.579 7.298 1.00 0.00 C ATOM 320 O LEU A 21 -2.694 7.410 7.980 1.00 0.00 O ATOM 321 CB LEU A 21 -2.570 4.195 7.524 1.00 0.00 C ATOM 322 CG LEU A 21 -1.283 4.319 8.340 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.481 3.754 9.738 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.136 3.612 7.635 1.00 0.00 C ATOM 0 H LEU A 21 -4.919 3.882 6.856 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.730 5.301 8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.974 3.192 7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.323 4.297 6.467 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.032 5.376 8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.555 3.851 10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.275 4.304 10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.756 2.701 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.772 3.710 8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.378 2.556 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.021 4.062 6.655 1.00 0.00 H new ATOM 336 N LEU A 22 -3.663 6.804 6.040 1.00 0.00 N ATOM 337 CA LEU A 22 -3.375 8.069 5.374 1.00 0.00 C ATOM 338 C LEU A 22 -4.263 9.183 5.919 1.00 0.00 C ATOM 339 O LEU A 22 -3.829 10.328 6.051 1.00 0.00 O ATOM 340 CB LEU A 22 -3.578 7.932 3.865 1.00 0.00 C ATOM 341 CG LEU A 22 -2.481 7.160 3.131 1.00 0.00 C ATOM 342 CD1 LEU A 22 -2.970 6.704 1.765 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.230 8.015 2.993 1.00 0.00 C ATOM 0 H LEU A 22 -4.161 6.127 5.462 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.335 8.327 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.532 7.436 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.651 8.930 3.432 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.231 6.276 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.175 6.157 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.837 6.055 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.249 7.573 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.459 7.450 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.466 8.917 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.867 8.291 3.983 1.00 0.00 H new ATOM 355 N ASN A 23 -5.508 8.841 6.234 1.00 0.00 N ATOM 356 CA ASN A 23 -6.457 9.812 6.765 1.00 0.00 C ATOM 357 C ASN A 23 -5.966 10.384 8.091 1.00 0.00 C ATOM 358 O ASN A 23 -6.255 11.532 8.428 1.00 0.00 O ATOM 359 CB ASN A 23 -7.830 9.164 6.954 1.00 0.00 C ATOM 360 CG ASN A 23 -8.966 10.114 6.628 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.861 9.785 5.849 1.00 0.00 O ATOM 362 ND2 ASN A 23 -8.936 11.299 7.226 1.00 0.00 N ATOM 0 H ASN A 23 -5.883 7.898 6.131 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.543 10.628 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.903 8.282 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.929 8.823 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.674 11.979 7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.174 11.529 7.864 1.00 0.00 H new ATOM 369 N GLN A 24 -5.222 9.577 8.840 1.00 0.00 N ATOM 370 CA GLN A 24 -4.691 10.004 10.129 1.00 0.00 C ATOM 371 C GLN A 24 -3.745 11.189 9.965 1.00 0.00 C ATOM 372 O GLN A 24 -3.623 12.026 10.859 1.00 0.00 O ATOM 373 CB GLN A 24 -3.962 8.845 10.813 1.00 0.00 C ATOM 374 CG GLN A 24 -4.128 8.829 12.323 1.00 0.00 C ATOM 375 CD GLN A 24 -4.073 7.428 12.901 1.00 0.00 C ATOM 376 OE1 GLN A 24 -5.057 6.930 13.446 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.917 6.784 12.783 1.00 0.00 N ATOM 0 H GLN A 24 -4.973 8.624 8.576 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.529 10.316 10.752 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.331 7.904 10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.900 8.902 10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.345 9.436 12.777 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.081 9.289 12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.126 7.235 12.323 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.820 5.838 13.152 1.00 0.00 H new ATOM 386 N GLN A 25 -3.079 11.255 8.816 1.00 0.00 N ATOM 387 CA GLN A 25 -2.144 12.338 8.536 1.00 0.00 C ATOM 388 C GLN A 25 -2.844 13.692 8.598 1.00 0.00 C ATOM 389 O GLN A 25 -3.779 13.954 7.840 1.00 0.00 O ATOM 390 CB GLN A 25 -1.504 12.145 7.160 1.00 0.00 C ATOM 391 CG GLN A 25 -0.458 11.043 7.125 1.00 0.00 C ATOM 392 CD GLN A 25 0.893 11.506 7.636 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.201 12.697 7.621 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.707 10.561 8.092 1.00 0.00 N ATOM 0 H GLN A 25 -3.170 10.571 8.065 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.365 12.317 9.298 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.285 11.917 6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.043 13.082 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.801 10.202 7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.351 10.681 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.410 9.585 8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.629 10.811 8.449 1.00 0.00 H new ATOM 403 N VAL A 26 -2.386 14.549 9.505 1.00 0.00 N ATOM 404 CA VAL A 26 -2.968 15.874 9.667 1.00 0.00 C ATOM 405 C VAL A 26 -2.452 16.837 8.602 1.00 0.00 C ATOM 406 O VAL A 26 -3.151 17.766 8.200 1.00 0.00 O ATOM 407 CB VAL A 26 -2.662 16.457 11.059 1.00 0.00 C ATOM 408 CG1 VAL A 26 -3.443 17.743 11.285 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.972 15.439 12.145 1.00 0.00 C ATOM 0 H VAL A 26 -1.613 14.348 10.139 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.046 15.759 9.558 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.599 16.693 11.107 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.213 18.139 12.274 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.165 18.475 10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.511 17.537 11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.749 15.869 13.121 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.027 15.168 12.100 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.362 14.548 11.994 1.00 0.00 H new ATOM 419 N PHE A 27 -1.224 16.606 8.149 1.00 0.00 N ATOM 420 CA PHE A 27 -0.614 17.453 7.131 1.00 0.00 C ATOM 421 C PHE A 27 -0.490 18.892 7.623 1.00 0.00 C ATOM 422 O PHE A 27 -1.268 19.761 7.231 1.00 0.00 O ATOM 423 CB PHE A 27 -1.436 17.411 5.841 1.00 0.00 C ATOM 424 CG PHE A 27 -1.421 16.070 5.163 1.00 0.00 C ATOM 425 CD1 PHE A 27 -0.228 15.502 4.748 1.00 0.00 C ATOM 426 CD2 PHE A 27 -2.601 15.379 4.943 1.00 0.00 C ATOM 427 CE1 PHE A 27 -0.211 14.269 4.124 1.00 0.00 C ATOM 428 CE2 PHE A 27 -2.592 14.145 4.320 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.395 13.590 3.909 1.00 0.00 C ATOM 0 H PHE A 27 -0.632 15.840 8.471 1.00 0.00 H new ATOM 0 HA PHE A 27 0.386 17.070 6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.467 17.683 6.068 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.053 18.162 5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.700 16.029 4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.539 15.809 5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.726 13.837 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.519 13.616 4.155 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.385 12.627 3.420 1.00 0.00 H new ATOM 439 N ASN A 28 0.491 19.135 8.484 1.00 0.00 N ATOM 440 CA ASN A 28 0.717 20.468 9.031 1.00 0.00 C ATOM 441 C ASN A 28 2.022 20.519 9.818 1.00 0.00 C ATOM 442 O ASN A 28 2.123 21.217 10.828 1.00 0.00 O ATOM 443 CB ASN A 28 -0.451 20.876 9.930 1.00 0.00 C ATOM 444 CG ASN A 28 -0.632 19.938 11.106 1.00 0.00 C ATOM 445 OD1 ASN A 28 -0.287 18.759 11.033 1.00 0.00 O ATOM 446 ND2 ASN A 28 -1.178 20.457 12.200 1.00 0.00 N ATOM 0 H ASN A 28 1.143 18.426 8.819 1.00 0.00 H new ATOM 0 HA ASN A 28 0.789 21.169 8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.285 21.888 10.299 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.368 20.897 9.342 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.326 19.872 13.023 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.449 21.440 12.217 1.00 0.00 H new ATOM 453 N ASP A 29 3.019 19.776 9.351 1.00 0.00 N ATOM 454 CA ASP A 29 4.318 19.736 10.012 1.00 0.00 C ATOM 455 C ASP A 29 5.332 18.977 9.197 1.00 0.00 C ATOM 456 O ASP A 29 5.955 18.035 9.688 1.00 0.00 O ATOM 457 CB ASP A 29 4.192 19.126 11.409 1.00 0.00 C ATOM 458 CG ASP A 29 5.435 19.342 12.249 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.408 18.576 12.078 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.437 20.276 13.078 1.00 0.00 O ATOM 0 H ASP A 29 2.952 19.193 8.517 1.00 0.00 H new ATOM 0 HA ASP A 29 4.670 20.763 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.333 19.564 11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.999 18.057 11.319 1.00 0.00 H new ATOM 465 N PRO A 30 5.559 19.399 7.946 1.00 0.00 N ATOM 466 CA PRO A 30 6.547 18.759 7.126 1.00 0.00 C ATOM 467 C PRO A 30 7.926 19.281 7.484 1.00 0.00 C ATOM 468 O PRO A 30 8.204 20.476 7.390 1.00 0.00 O ATOM 469 CB PRO A 30 6.165 19.166 5.693 1.00 0.00 C ATOM 470 CG PRO A 30 5.020 20.130 5.815 1.00 0.00 C ATOM 471 CD PRO A 30 4.930 20.531 7.262 1.00 0.00 C ATOM 0 HA PRO A 30 6.576 17.677 7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.010 19.629 5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.877 18.294 5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.183 21.003 5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.090 19.667 5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.456 21.466 7.457 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.897 20.674 7.580 1.00 0.00 H new ATOM 479 N LEU A 31 8.775 18.368 7.892 1.00 0.00 N ATOM 480 CA LEU A 31 10.142 18.695 8.277 1.00 0.00 C ATOM 481 C LEU A 31 11.145 17.868 7.478 1.00 0.00 C ATOM 482 O LEU A 31 12.165 18.384 7.020 1.00 0.00 O ATOM 483 CB LEU A 31 10.344 18.455 9.775 1.00 0.00 C ATOM 484 CG LEU A 31 11.246 19.470 10.478 1.00 0.00 C ATOM 485 CD1 LEU A 31 12.682 19.333 9.995 1.00 0.00 C ATOM 486 CD2 LEU A 31 10.737 20.885 10.245 1.00 0.00 C ATOM 0 H LEU A 31 8.546 17.377 7.969 1.00 0.00 H new ATOM 0 HA LEU A 31 10.312 19.749 8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.369 18.459 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.766 17.460 9.914 1.00 0.00 H new ATOM 0 HG LEU A 31 11.223 19.267 11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.309 20.063 10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.045 18.328 10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.723 19.509 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.390 21.595 10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.730 21.098 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.725 20.977 10.640 1.00 0.00 H new ATOM 498 N VAL A 32 10.848 16.583 7.315 1.00 0.00 N ATOM 499 CA VAL A 32 11.722 15.685 6.570 1.00 0.00 C ATOM 500 C VAL A 32 11.704 16.008 5.081 1.00 0.00 C ATOM 501 O VAL A 32 10.764 16.628 4.582 1.00 0.00 O ATOM 502 CB VAL A 32 11.317 14.213 6.770 1.00 0.00 C ATOM 503 CG1 VAL A 32 12.360 13.285 6.165 1.00 0.00 C ATOM 504 CG2 VAL A 32 11.115 13.909 8.246 1.00 0.00 C ATOM 0 H VAL A 32 10.009 16.140 7.689 1.00 0.00 H new ATOM 0 HA VAL A 32 12.730 15.833 6.958 1.00 0.00 H new ATOM 0 HB VAL A 32 10.371 14.043 6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.057 12.249 6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.449 13.485 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.322 13.455 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.829 12.864 8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.043 14.096 8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.328 14.549 8.645 1.00 0.00 H new ATOM 514 N SER A 33 12.746 15.585 4.376 1.00 0.00 N ATOM 515 CA SER A 33 12.850 15.828 2.941 1.00 0.00 C ATOM 516 C SER A 33 11.800 15.028 2.177 1.00 0.00 C ATOM 517 O SER A 33 11.265 14.043 2.686 1.00 0.00 O ATOM 518 CB SER A 33 14.249 15.467 2.441 1.00 0.00 C ATOM 519 OG SER A 33 14.684 16.375 1.443 1.00 0.00 O ATOM 0 H SER A 33 13.532 15.071 4.774 1.00 0.00 H new ATOM 0 HA SER A 33 12.672 16.889 2.763 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.950 15.475 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.245 14.454 2.039 1.00 0.00 H new ATOM 0 HG SER A 33 15.582 16.124 1.141 1.00 0.00 H new ATOM 525 N GLU A 34 11.513 15.456 0.952 1.00 0.00 N ATOM 526 CA GLU A 34 10.528 14.779 0.117 1.00 0.00 C ATOM 527 C GLU A 34 11.032 13.405 -0.313 1.00 0.00 C ATOM 528 O GLU A 34 10.273 12.437 -0.346 1.00 0.00 O ATOM 529 CB GLU A 34 10.204 15.626 -1.115 1.00 0.00 C ATOM 530 CG GLU A 34 11.416 15.922 -1.984 1.00 0.00 C ATOM 531 CD GLU A 34 11.331 17.277 -2.660 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.160 18.287 -1.946 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.434 17.328 -3.903 1.00 0.00 O ATOM 0 H GLU A 34 11.949 16.269 0.516 1.00 0.00 H new ATOM 0 HA GLU A 34 9.620 14.645 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.455 15.109 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.760 16.568 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.317 15.881 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.512 15.146 -2.744 1.00 0.00 H new ATOM 540 N GLU A 35 12.317 13.328 -0.641 1.00 0.00 N ATOM 541 CA GLU A 35 12.923 12.072 -1.068 1.00 0.00 C ATOM 542 C GLU A 35 12.823 11.018 0.031 1.00 0.00 C ATOM 543 O GLU A 35 12.576 9.844 -0.242 1.00 0.00 O ATOM 544 CB GLU A 35 14.388 12.291 -1.448 1.00 0.00 C ATOM 545 CG GLU A 35 14.572 12.988 -2.786 1.00 0.00 C ATOM 546 CD GLU A 35 15.967 13.557 -2.960 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.943 12.842 -2.650 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.082 14.718 -3.405 1.00 0.00 O ATOM 0 H GLU A 35 12.959 14.120 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 35 12.378 11.714 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.872 12.882 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.895 11.327 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.369 12.281 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.842 13.792 -2.876 1.00 0.00 H new ATOM 555 N ASP A 36 13.016 11.448 1.273 1.00 0.00 N ATOM 556 CA ASP A 36 12.948 10.542 2.415 1.00 0.00 C ATOM 557 C ASP A 36 11.561 9.927 2.544 1.00 0.00 C ATOM 558 O ASP A 36 11.400 8.831 3.081 1.00 0.00 O ATOM 559 CB ASP A 36 13.318 11.277 3.705 1.00 0.00 C ATOM 560 CG ASP A 36 14.128 10.412 4.650 1.00 0.00 C ATOM 561 OD1 ASP A 36 15.242 9.996 4.267 1.00 0.00 O ATOM 562 OD2 ASP A 36 13.648 10.150 5.774 1.00 0.00 O ATOM 0 H ASP A 36 13.221 12.417 1.515 1.00 0.00 H new ATOM 0 HA ASP A 36 13.665 9.738 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.887 12.173 3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.408 11.605 4.207 1.00 0.00 H new ATOM 567 N MET A 37 10.568 10.643 2.047 1.00 0.00 N ATOM 568 CA MET A 37 9.185 10.182 2.097 1.00 0.00 C ATOM 569 C MET A 37 8.960 9.032 1.121 1.00 0.00 C ATOM 570 O MET A 37 8.135 8.150 1.366 1.00 0.00 O ATOM 571 CB MET A 37 8.230 11.333 1.778 1.00 0.00 C ATOM 572 CG MET A 37 6.763 10.944 1.853 1.00 0.00 C ATOM 573 SD MET A 37 6.301 10.282 3.465 1.00 0.00 S ATOM 574 CE MET A 37 6.649 11.687 4.521 1.00 0.00 C ATOM 0 H MET A 37 10.691 11.552 1.601 1.00 0.00 H new ATOM 0 HA MET A 37 8.984 9.822 3.106 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.416 12.152 2.473 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.447 11.708 0.778 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.148 11.817 1.633 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.548 10.201 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.832 11.820 5.230 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.577 11.512 5.065 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.750 12.585 3.911 1.00 0.00 H new ATOM 584 N VAL A 38 9.696 9.047 0.016 1.00 0.00 N ATOM 585 CA VAL A 38 9.575 8.006 -0.998 1.00 0.00 C ATOM 586 C VAL A 38 10.040 6.657 -0.457 1.00 0.00 C ATOM 587 O VAL A 38 9.353 5.648 -0.608 1.00 0.00 O ATOM 588 CB VAL A 38 10.392 8.350 -2.257 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.095 7.360 -3.374 1.00 0.00 C ATOM 590 CG2 VAL A 38 10.106 9.774 -2.708 1.00 0.00 C ATOM 0 H VAL A 38 10.383 9.769 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 38 8.520 7.945 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 38 11.451 8.278 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.681 7.619 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.357 6.354 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.034 7.397 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.693 9.998 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.045 9.877 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.375 10.469 -1.912 1.00 0.00 H new ATOM 600 N THR A 39 11.211 6.650 0.172 1.00 0.00 N ATOM 601 CA THR A 39 11.768 5.424 0.734 1.00 0.00 C ATOM 602 C THR A 39 10.836 4.838 1.790 1.00 0.00 C ATOM 603 O THR A 39 10.667 3.621 1.876 1.00 0.00 O ATOM 604 CB THR A 39 13.142 5.699 1.346 1.00 0.00 C ATOM 605 OG1 THR A 39 13.630 4.550 2.018 1.00 0.00 O ATOM 606 CG2 THR A 39 13.139 6.843 2.336 1.00 0.00 C ATOM 0 H THR A 39 11.792 7.478 0.305 1.00 0.00 H new ATOM 0 HA THR A 39 11.875 4.699 -0.073 1.00 0.00 H new ATOM 0 HB THR A 39 13.783 5.969 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.511 4.745 2.402 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.145 6.984 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.814 7.756 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.456 6.614 3.154 1.00 0.00 H new ATOM 614 N VAL A 40 10.232 5.711 2.590 1.00 0.00 N ATOM 615 CA VAL A 40 9.316 5.279 3.640 1.00 0.00 C ATOM 616 C VAL A 40 8.102 4.570 3.050 1.00 0.00 C ATOM 617 O VAL A 40 7.759 3.459 3.459 1.00 0.00 O ATOM 618 CB VAL A 40 8.838 6.468 4.494 1.00 0.00 C ATOM 619 CG1 VAL A 40 8.011 5.981 5.674 1.00 0.00 C ATOM 620 CG2 VAL A 40 10.024 7.296 4.971 1.00 0.00 C ATOM 0 H VAL A 40 10.360 6.721 2.531 1.00 0.00 H new ATOM 0 HA VAL A 40 9.867 4.585 4.275 1.00 0.00 H new ATOM 0 HB VAL A 40 8.206 7.104 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.682 6.836 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.140 5.437 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.617 5.321 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.666 8.131 5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.685 6.672 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.571 7.678 4.109 1.00 0.00 H new ATOM 630 N VAL A 41 7.454 5.218 2.088 1.00 0.00 N ATOM 631 CA VAL A 41 6.277 4.648 1.442 1.00 0.00 C ATOM 632 C VAL A 41 6.627 3.362 0.701 1.00 0.00 C ATOM 633 O VAL A 41 5.819 2.435 0.632 1.00 0.00 O ATOM 634 CB VAL A 41 5.643 5.643 0.450 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.334 5.095 -0.096 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.426 6.996 1.114 1.00 0.00 C ATOM 0 H VAL A 41 7.724 6.138 1.738 1.00 0.00 H new ATOM 0 HA VAL A 41 5.559 4.426 2.231 1.00 0.00 H new ATOM 0 HB VAL A 41 6.330 5.779 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.902 5.812 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.521 4.153 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.639 4.926 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.978 7.685 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.761 6.879 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.383 7.394 1.450 1.00 0.00 H new ATOM 646 N GLU A 42 7.834 3.312 0.149 1.00 0.00 N ATOM 647 CA GLU A 42 8.290 2.138 -0.587 1.00 0.00 C ATOM 648 C GLU A 42 8.556 0.973 0.360 1.00 0.00 C ATOM 649 O GLU A 42 8.272 -0.180 0.036 1.00 0.00 O ATOM 650 CB GLU A 42 9.558 2.467 -1.377 1.00 0.00 C ATOM 651 CG GLU A 42 9.296 3.272 -2.639 1.00 0.00 C ATOM 652 CD GLU A 42 8.489 2.500 -3.665 1.00 0.00 C ATOM 653 OE1 GLU A 42 7.258 2.387 -3.489 1.00 0.00 O ATOM 654 OE2 GLU A 42 9.090 2.009 -4.645 1.00 0.00 O ATOM 0 H GLU A 42 8.514 4.070 0.197 1.00 0.00 H new ATOM 0 HA GLU A 42 7.502 1.846 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.241 3.024 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.060 1.538 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.765 4.187 -2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.247 3.570 -3.080 1.00 0.00 H new ATOM 661 N ASP A 43 9.102 1.281 1.531 1.00 0.00 N ATOM 662 CA ASP A 43 9.406 0.258 2.526 1.00 0.00 C ATOM 663 C ASP A 43 8.156 -0.135 3.307 1.00 0.00 C ATOM 664 O ASP A 43 8.038 -1.265 3.781 1.00 0.00 O ATOM 665 CB ASP A 43 10.485 0.759 3.489 1.00 0.00 C ATOM 666 CG ASP A 43 11.449 -0.337 3.899 1.00 0.00 C ATOM 667 OD1 ASP A 43 11.891 -1.100 3.013 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.763 -0.433 5.104 1.00 0.00 O ATOM 0 H ASP A 43 9.343 2.230 1.815 1.00 0.00 H new ATOM 0 HA ASP A 43 9.775 -0.623 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.040 1.570 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.010 1.173 4.379 1.00 0.00 H new ATOM 673 N TRP A 44 7.224 0.806 3.438 1.00 0.00 N ATOM 674 CA TRP A 44 5.984 0.558 4.163 1.00 0.00 C ATOM 675 C TRP A 44 5.210 -0.602 3.543 1.00 0.00 C ATOM 676 O TRP A 44 4.790 -1.525 4.242 1.00 0.00 O ATOM 677 CB TRP A 44 5.116 1.818 4.176 1.00 0.00 C ATOM 678 CG TRP A 44 5.206 2.591 5.457 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.220 2.547 6.372 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.244 3.521 5.967 1.00 0.00 C ATOM 681 NE1 TRP A 44 5.946 3.393 7.419 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.739 4.003 7.194 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.013 3.995 5.506 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.046 4.934 7.962 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.325 4.919 6.270 1.00 0.00 C ATOM 686 CH2 TRP A 44 2.843 5.380 7.486 1.00 0.00 C ATOM 0 H TRP A 44 7.305 1.746 3.051 1.00 0.00 H new ATOM 0 HA TRP A 44 6.240 0.291 5.188 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.413 2.463 3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.077 1.536 4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.107 1.937 6.285 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.544 3.543 8.232 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.606 3.645 4.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.443 5.292 8.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.372 5.291 5.923 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.282 6.102 8.060 1.00 0.00 H new ATOM 697 N MET A 45 5.024 -0.548 2.228 1.00 0.00 N ATOM 698 CA MET A 45 4.300 -1.596 1.516 1.00 0.00 C ATOM 699 C MET A 45 5.054 -2.920 1.581 1.00 0.00 C ATOM 700 O MET A 45 4.447 -3.991 1.614 1.00 0.00 O ATOM 701 CB MET A 45 4.076 -1.190 0.058 1.00 0.00 C ATOM 702 CG MET A 45 5.361 -1.074 -0.747 1.00 0.00 C ATOM 703 SD MET A 45 5.370 0.358 -1.843 1.00 0.00 S ATOM 704 CE MET A 45 3.723 0.265 -2.537 1.00 0.00 C ATOM 0 H MET A 45 5.364 0.209 1.634 1.00 0.00 H new ATOM 0 HA MET A 45 3.332 -1.728 2.000 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.424 -1.922 -0.418 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.554 -0.234 0.032 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.208 -1.009 -0.064 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.497 -1.980 -1.338 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.755 0.547 -3.589 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.347 -0.754 -2.446 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.063 0.945 -1.999 1.00 0.00 H new ATOM 714 N ASN A 46 6.381 -2.839 1.597 1.00 0.00 N ATOM 715 CA ASN A 46 7.218 -4.032 1.658 1.00 0.00 C ATOM 716 C ASN A 46 6.924 -4.840 2.916 1.00 0.00 C ATOM 717 O ASN A 46 6.987 -6.070 2.905 1.00 0.00 O ATOM 718 CB ASN A 46 8.697 -3.643 1.620 1.00 0.00 C ATOM 719 CG ASN A 46 9.532 -4.626 0.822 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.717 -5.773 1.226 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.044 -4.177 -0.319 1.00 0.00 N ATOM 0 H ASN A 46 6.899 -1.961 1.569 1.00 0.00 H new ATOM 0 HA ASN A 46 6.989 -4.651 0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.797 -2.648 1.186 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.081 -3.586 2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.616 -4.792 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.865 -3.218 -0.616 1.00 0.00 H new ATOM 728 N PHE A 47 6.603 -4.143 4.001 1.00 0.00 N ATOM 729 CA PHE A 47 6.300 -4.797 5.269 1.00 0.00 C ATOM 730 C PHE A 47 4.933 -5.473 5.218 1.00 0.00 C ATOM 731 O PHE A 47 4.742 -6.551 5.779 1.00 0.00 O ATOM 732 CB PHE A 47 6.338 -3.781 6.412 1.00 0.00 C ATOM 733 CG PHE A 47 6.659 -4.393 7.747 1.00 0.00 C ATOM 734 CD1 PHE A 47 7.973 -4.625 8.120 1.00 0.00 C ATOM 735 CD2 PHE A 47 5.645 -4.736 8.628 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.271 -5.187 9.347 1.00 0.00 C ATOM 737 CE2 PHE A 47 5.937 -5.298 9.856 1.00 0.00 C ATOM 738 CZ PHE A 47 7.251 -5.524 10.216 1.00 0.00 C ATOM 0 H PHE A 47 6.546 -3.125 4.028 1.00 0.00 H new ATOM 0 HA PHE A 47 7.057 -5.561 5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.081 -3.016 6.184 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.372 -3.279 6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.774 -4.364 7.444 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.616 -4.562 8.351 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.299 -5.362 9.626 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.138 -5.560 10.534 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.481 -5.963 11.175 1.00 0.00 H new ATOM 748 N TYR A 48 3.986 -4.830 4.543 1.00 0.00 N ATOM 749 CA TYR A 48 2.637 -5.370 4.420 1.00 0.00 C ATOM 750 C TYR A 48 2.629 -6.624 3.551 1.00 0.00 C ATOM 751 O TYR A 48 1.934 -7.594 3.851 1.00 0.00 O ATOM 752 CB TYR A 48 1.697 -4.319 3.826 1.00 0.00 C ATOM 753 CG TYR A 48 1.271 -3.257 4.815 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.214 -2.526 5.526 1.00 0.00 C ATOM 755 CD2 TYR A 48 -0.073 -2.987 5.037 1.00 0.00 C ATOM 756 CE1 TYR A 48 1.829 -1.555 6.431 1.00 0.00 C ATOM 757 CE2 TYR A 48 -0.466 -2.017 5.940 1.00 0.00 C ATOM 758 CZ TYR A 48 0.489 -1.304 6.634 1.00 0.00 C ATOM 759 OH TYR A 48 0.101 -0.338 7.534 1.00 0.00 O ATOM 0 H TYR A 48 4.127 -3.936 4.073 1.00 0.00 H new ATOM 0 HA TYR A 48 2.288 -5.639 5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.190 -3.839 2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.809 -4.817 3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.265 -2.719 5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.823 -3.544 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.575 -0.996 6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.515 -1.819 6.101 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.877 -0.286 7.557 1.00 0.00 H new ATOM 769 N ILE A 49 3.407 -6.596 2.474 1.00 0.00 N ATOM 770 CA ILE A 49 3.490 -7.729 1.562 1.00 0.00 C ATOM 771 C ILE A 49 4.104 -8.943 2.252 1.00 0.00 C ATOM 772 O ILE A 49 3.742 -10.084 1.962 1.00 0.00 O ATOM 773 CB ILE A 49 4.323 -7.387 0.311 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.816 -6.093 -0.330 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.276 -8.532 -0.690 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.916 -5.242 -0.925 1.00 0.00 C ATOM 0 H ILE A 49 3.989 -5.800 2.212 1.00 0.00 H new ATOM 0 HA ILE A 49 2.471 -7.963 1.255 1.00 0.00 H new ATOM 0 HB ILE A 49 5.359 -7.239 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.097 -6.341 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.282 -5.510 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.869 -8.273 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.681 -9.434 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.244 -8.710 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.484 -4.342 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.623 -4.963 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.435 -5.807 -1.699 1.00 0.00 H new ATOM 788 N ASN A 50 5.033 -8.691 3.167 1.00 0.00 N ATOM 789 CA ASN A 50 5.697 -9.764 3.898 1.00 0.00 C ATOM 790 C ASN A 50 4.733 -10.439 4.869 1.00 0.00 C ATOM 791 O ASN A 50 4.725 -11.663 4.999 1.00 0.00 O ATOM 792 CB ASN A 50 6.907 -9.218 4.660 1.00 0.00 C ATOM 793 CG ASN A 50 8.172 -9.234 3.824 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.397 -10.152 3.035 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.005 -8.213 3.993 1.00 0.00 N ATOM 0 H ASN A 50 5.344 -7.753 3.420 1.00 0.00 H new ATOM 0 HA ASN A 50 6.036 -10.506 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.700 -8.197 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.063 -9.811 5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.872 -8.168 3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.778 -7.474 4.658 1.00 0.00 H new ATOM 802 N TYR A 51 3.924 -9.632 5.546 1.00 0.00 N ATOM 803 CA TYR A 51 2.955 -10.151 6.505 1.00 0.00 C ATOM 804 C TYR A 51 1.803 -10.851 5.790 1.00 0.00 C ATOM 805 O TYR A 51 1.257 -11.836 6.289 1.00 0.00 O ATOM 806 CB TYR A 51 2.416 -9.019 7.381 1.00 0.00 C ATOM 807 CG TYR A 51 2.239 -9.407 8.831 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.338 -9.567 9.667 1.00 0.00 C ATOM 809 CD2 TYR A 51 0.974 -9.612 9.367 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.180 -9.921 10.993 1.00 0.00 C ATOM 811 CE2 TYR A 51 0.807 -9.968 10.692 1.00 0.00 C ATOM 812 CZ TYR A 51 1.914 -10.121 11.500 1.00 0.00 C ATOM 813 OH TYR A 51 1.753 -10.474 12.821 1.00 0.00 O ATOM 0 H TYR A 51 3.920 -8.617 5.449 1.00 0.00 H new ATOM 0 HA TYR A 51 3.462 -10.880 7.138 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.096 -8.169 7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.457 -8.688 6.983 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.332 -9.412 9.273 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.105 -9.491 8.737 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.044 -10.040 11.629 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.184 -10.125 11.092 1.00 0.00 H new ATOM 0 HH TYR A 51 0.798 -10.575 13.019 1.00 0.00 H new ATOM 823 N TYR A 52 1.438 -10.336 4.622 1.00 0.00 N ATOM 824 CA TYR A 52 0.351 -10.913 3.839 1.00 0.00 C ATOM 825 C TYR A 52 0.776 -12.234 3.205 1.00 0.00 C ATOM 826 O TYR A 52 -0.051 -13.118 2.979 1.00 0.00 O ATOM 827 CB TYR A 52 -0.096 -9.934 2.752 1.00 0.00 C ATOM 828 CG TYR A 52 -1.054 -8.874 3.248 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.171 -9.216 3.999 1.00 0.00 C ATOM 830 CD2 TYR A 52 -0.841 -7.531 2.964 1.00 0.00 C ATOM 831 CE1 TYR A 52 -3.049 -8.251 4.454 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.713 -6.559 3.415 1.00 0.00 C ATOM 833 CZ TYR A 52 -2.815 -6.924 4.160 1.00 0.00 C ATOM 834 OH TYR A 52 -3.687 -5.959 4.611 1.00 0.00 O ATOM 0 H TYR A 52 1.878 -9.520 4.196 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.484 -11.107 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.783 -9.448 2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.571 -10.492 1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.357 -10.254 4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.021 -7.242 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.913 -8.534 5.036 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.533 -5.519 3.186 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.321 -5.539 5.417 1.00 0.00 H new ATOM 844 N ARG A 53 2.067 -12.361 2.918 1.00 0.00 N ATOM 845 CA ARG A 53 2.601 -13.573 2.308 1.00 0.00 C ATOM 846 C ARG A 53 2.516 -14.756 3.268 1.00 0.00 C ATOM 847 O ARG A 53 2.389 -15.904 2.842 1.00 0.00 O ATOM 848 CB ARG A 53 4.052 -13.355 1.878 1.00 0.00 C ATOM 849 CG ARG A 53 4.502 -14.284 0.762 1.00 0.00 C ATOM 850 CD ARG A 53 5.660 -13.691 -0.023 1.00 0.00 C ATOM 851 NE ARG A 53 5.209 -13.017 -1.239 1.00 0.00 N ATOM 852 CZ ARG A 53 5.939 -12.129 -1.909 1.00 0.00 C ATOM 853 NH1 ARG A 53 7.155 -11.805 -1.487 1.00 0.00 N ATOM 854 NH2 ARG A 53 5.451 -11.562 -3.005 1.00 0.00 N ATOM 0 H ARG A 53 2.764 -11.638 3.098 1.00 0.00 H new ATOM 0 HA ARG A 53 1.997 -13.800 1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.174 -12.322 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.703 -13.495 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.801 -15.244 1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.666 -14.478 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.199 -12.982 0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.362 -14.482 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 53 4.280 -13.241 -1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.535 -12.237 -0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.710 -11.124 -2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.517 -11.807 -3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.010 -10.881 -3.519 1.00 0.00 H new ATOM 868 N GLN A 54 2.591 -14.471 4.564 1.00 0.00 N ATOM 869 CA GLN A 54 2.525 -15.513 5.579 1.00 0.00 C ATOM 870 C GLN A 54 1.081 -15.802 5.992 1.00 0.00 C ATOM 871 O GLN A 54 0.839 -16.539 6.947 1.00 0.00 O ATOM 872 CB GLN A 54 3.344 -15.102 6.804 1.00 0.00 C ATOM 873 CG GLN A 54 3.017 -13.710 7.319 1.00 0.00 C ATOM 874 CD GLN A 54 3.652 -13.424 8.666 1.00 0.00 C ATOM 875 OE1 GLN A 54 4.864 -13.233 8.766 1.00 0.00 O ATOM 876 NE2 GLN A 54 2.834 -13.394 9.712 1.00 0.00 N ATOM 0 H GLN A 54 2.698 -13.527 4.935 1.00 0.00 H new ATOM 0 HA GLN A 54 2.942 -16.425 5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.174 -15.824 7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.404 -15.147 6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.358 -12.969 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.936 -13.601 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.836 -13.558 9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.204 -13.207 10.644 1.00 0.00 H new ATOM 885 N GLN A 55 0.125 -15.221 5.270 1.00 0.00 N ATOM 886 CA GLN A 55 -1.287 -15.425 5.571 1.00 0.00 C ATOM 887 C GLN A 55 -2.092 -15.630 4.291 1.00 0.00 C ATOM 888 O GLN A 55 -3.190 -15.092 4.142 1.00 0.00 O ATOM 889 CB GLN A 55 -1.841 -14.230 6.351 1.00 0.00 C ATOM 890 CG GLN A 55 -2.871 -14.615 7.401 1.00 0.00 C ATOM 891 CD GLN A 55 -2.251 -14.852 8.765 1.00 0.00 C ATOM 892 OE1 GLN A 55 -2.009 -15.993 9.158 1.00 0.00 O ATOM 893 NE2 GLN A 55 -1.994 -13.773 9.494 1.00 0.00 N ATOM 0 H GLN A 55 0.303 -14.607 4.475 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.377 -16.323 6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.016 -13.710 6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.293 -13.527 5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.619 -13.826 7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.392 -15.517 7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.211 -12.846 9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.579 -13.871 10.421 1.00 0.00 H new ATOM 902 N VAL A 56 -1.538 -16.411 3.370 1.00 0.00 N ATOM 903 CA VAL A 56 -2.204 -16.689 2.101 1.00 0.00 C ATOM 904 C VAL A 56 -2.672 -18.140 2.038 1.00 0.00 C ATOM 905 O VAL A 56 -2.389 -18.932 2.936 1.00 0.00 O ATOM 906 CB VAL A 56 -1.283 -16.404 0.889 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.921 -15.379 -0.038 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.094 -15.935 1.339 1.00 0.00 C ATOM 0 H VAL A 56 -0.630 -16.863 3.478 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.065 -16.022 2.049 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.155 -17.337 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.259 -15.192 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.875 -15.761 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.086 -14.449 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.717 -15.743 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.006 -15.019 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.558 -16.706 1.953 1.00 0.00 H new ATOM 918 N THR A 57 -3.382 -18.479 0.967 1.00 0.00 N ATOM 919 CA THR A 57 -3.886 -19.827 0.772 1.00 0.00 C ATOM 920 C THR A 57 -4.372 -20.006 -0.657 1.00 0.00 C ATOM 921 O THR A 57 -4.912 -19.083 -1.268 1.00 0.00 O ATOM 922 CB THR A 57 -5.023 -20.136 1.743 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.876 -19.014 1.892 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.548 -20.541 3.121 1.00 0.00 C ATOM 0 H THR A 57 -3.621 -17.830 0.217 1.00 0.00 H new ATOM 0 HA THR A 57 -3.068 -20.521 0.966 1.00 0.00 H new ATOM 0 HB THR A 57 -5.554 -20.980 1.302 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.599 -19.233 2.517 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.409 -20.745 3.757 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.932 -21.437 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.960 -19.733 3.555 1.00 0.00 H new ATOM 932 N GLY A 58 -4.170 -21.199 -1.180 1.00 0.00 N ATOM 933 CA GLY A 58 -4.581 -21.504 -2.535 1.00 0.00 C ATOM 934 C GLY A 58 -3.531 -22.288 -3.287 1.00 0.00 C ATOM 935 O GLY A 58 -3.030 -23.303 -2.803 1.00 0.00 O ATOM 0 H GLY A 58 -3.724 -21.973 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.510 -22.074 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.790 -20.576 -3.067 1.00 0.00 H new ATOM 939 N GLU A 59 -3.197 -21.809 -4.473 1.00 0.00 N ATOM 940 CA GLU A 59 -2.195 -22.456 -5.312 1.00 0.00 C ATOM 941 C GLU A 59 -0.970 -21.561 -5.472 1.00 0.00 C ATOM 942 O GLU A 59 -1.035 -20.358 -5.218 1.00 0.00 O ATOM 943 CB GLU A 59 -2.782 -22.791 -6.685 1.00 0.00 C ATOM 944 CG GLU A 59 -4.204 -23.327 -6.628 1.00 0.00 C ATOM 945 CD GLU A 59 -4.435 -24.469 -7.598 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.168 -24.287 -8.804 1.00 0.00 O ATOM 947 OE2 GLU A 59 -4.885 -25.545 -7.152 1.00 0.00 O ATOM 0 H GLU A 59 -3.607 -20.969 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.889 -23.382 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.766 -21.895 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.145 -23.528 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.420 -23.666 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.902 -22.520 -6.850 1.00 0.00 H new ATOM 954 N PRO A 60 0.169 -22.135 -5.895 1.00 0.00 N ATOM 955 CA PRO A 60 1.410 -21.379 -6.086 1.00 0.00 C ATOM 956 C PRO A 60 1.200 -20.111 -6.909 1.00 0.00 C ATOM 957 O PRO A 60 1.582 -19.018 -6.491 1.00 0.00 O ATOM 958 CB PRO A 60 2.310 -22.362 -6.836 1.00 0.00 C ATOM 959 CG PRO A 60 1.820 -23.708 -6.426 1.00 0.00 C ATOM 960 CD PRO A 60 0.336 -23.565 -6.220 1.00 0.00 C ATOM 0 HA PRO A 60 1.827 -21.034 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.235 -22.224 -7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.358 -22.223 -6.569 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.038 -24.452 -7.192 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.311 -24.040 -5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.222 -23.841 -7.115 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.021 -24.204 -5.412 1.00 0.00 H new ATOM 968 N GLN A 61 0.592 -20.267 -8.080 1.00 0.00 N ATOM 969 CA GLN A 61 0.334 -19.136 -8.963 1.00 0.00 C ATOM 970 C GLN A 61 -0.827 -18.289 -8.449 1.00 0.00 C ATOM 971 O GLN A 61 -0.854 -17.074 -8.645 1.00 0.00 O ATOM 972 CB GLN A 61 0.034 -19.626 -10.381 1.00 0.00 C ATOM 973 CG GLN A 61 -1.143 -20.584 -10.456 1.00 0.00 C ATOM 974 CD GLN A 61 -2.403 -19.920 -10.977 1.00 0.00 C ATOM 975 OE1 GLN A 61 -2.820 -18.875 -10.477 1.00 0.00 O ATOM 976 NE2 GLN A 61 -3.017 -20.525 -11.988 1.00 0.00 N ATOM 0 H GLN A 61 0.269 -21.165 -8.439 1.00 0.00 H new ATOM 0 HA GLN A 61 1.229 -18.515 -8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.167 -18.765 -11.019 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.920 -20.119 -10.781 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.884 -21.422 -11.103 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.336 -20.995 -9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.636 -21.390 -12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.869 -20.125 -12.380 1.00 0.00 H new ATOM 985 N GLU A 62 -1.785 -18.936 -7.792 1.00 0.00 N ATOM 986 CA GLU A 62 -2.944 -18.234 -7.254 1.00 0.00 C ATOM 987 C GLU A 62 -2.523 -17.249 -6.170 1.00 0.00 C ATOM 988 O GLU A 62 -2.883 -16.073 -6.214 1.00 0.00 O ATOM 989 CB GLU A 62 -3.959 -19.234 -6.694 1.00 0.00 C ATOM 990 CG GLU A 62 -5.181 -19.420 -7.579 1.00 0.00 C ATOM 991 CD GLU A 62 -6.324 -18.500 -7.194 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.136 -17.266 -7.246 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.406 -19.013 -6.842 1.00 0.00 O ATOM 0 H GLU A 62 -1.781 -19.941 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.411 -17.675 -8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.469 -20.198 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.282 -18.898 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.905 -19.236 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.516 -20.455 -7.517 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.755 -17.736 -5.201 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.282 -16.898 -4.112 1.00 0.00 C ATOM 1002 C ARG A 63 -0.445 -15.742 -4.647 1.00 0.00 C ATOM 1003 O ARG A 63 -0.483 -14.634 -4.112 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.460 -17.733 -3.131 1.00 0.00 C ATOM 1005 CG ARG A 63 0.833 -18.273 -3.721 1.00 0.00 C ATOM 1006 CD ARG A 63 1.701 -18.926 -2.658 1.00 0.00 C ATOM 1007 NE ARG A 63 0.935 -19.834 -1.807 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.360 -20.281 -0.627 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.543 -19.907 -0.155 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.600 -21.103 0.083 1.00 0.00 N ATOM 0 H ARG A 63 -1.448 -18.707 -5.150 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.146 -16.484 -3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.224 -17.124 -2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.067 -18.569 -2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.603 -18.999 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.385 -17.461 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.510 -19.476 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.162 -18.154 -2.042 1.00 0.00 H new ATOM 0 HE ARG A 63 0.021 -20.144 -2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.131 -19.274 -0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.864 -20.252 0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.310 -21.393 -0.275 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.925 -21.446 0.987 1.00 0.00 H new ATOM 1024 N ASP A 64 0.309 -16.008 -5.710 1.00 0.00 N ATOM 1025 CA ASP A 64 1.153 -14.991 -6.323 1.00 0.00 C ATOM 1026 C ASP A 64 0.310 -13.952 -7.054 1.00 0.00 C ATOM 1027 O ASP A 64 0.643 -12.767 -7.075 1.00 0.00 O ATOM 1028 CB ASP A 64 2.142 -15.637 -7.295 1.00 0.00 C ATOM 1029 CG ASP A 64 3.488 -14.942 -7.300 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.513 -13.697 -7.398 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.518 -15.641 -7.208 1.00 0.00 O ATOM 0 H ASP A 64 0.352 -16.920 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 64 1.708 -14.490 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.279 -16.685 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.723 -15.618 -8.301 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.785 -14.406 -7.657 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.677 -13.519 -8.394 1.00 0.00 C ATOM 1038 C LYS A 65 -2.239 -12.428 -7.486 1.00 0.00 C ATOM 1039 O LYS A 65 -2.266 -11.255 -7.854 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.821 -14.318 -9.021 1.00 0.00 C ATOM 1041 CG LYS A 65 -3.219 -13.829 -10.403 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.358 -12.824 -10.332 1.00 0.00 C ATOM 1043 CE LYS A 65 -4.452 -11.997 -11.604 1.00 0.00 C ATOM 1044 NZ LYS A 65 -5.865 -11.758 -12.009 1.00 0.00 N ATOM 0 H LYS A 65 -1.075 -15.384 -7.649 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.099 -13.042 -9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.528 -15.366 -9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.689 -14.270 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.358 -13.371 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.519 -14.678 -11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.299 -13.350 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.209 -12.164 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.951 -11.041 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.925 -12.509 -12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.885 -11.191 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.337 -12.669 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.362 -11.247 -11.252 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.689 -12.825 -6.300 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.252 -11.881 -5.343 1.00 0.00 C ATOM 1060 C ALA A 66 -2.161 -11.028 -4.705 1.00 0.00 C ATOM 1061 O ALA A 66 -2.391 -9.875 -4.344 1.00 0.00 O ATOM 1062 CB ALA A 66 -4.039 -12.621 -4.272 1.00 0.00 C ATOM 0 H ALA A 66 -2.675 -13.793 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.928 -11.217 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.454 -11.903 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.850 -13.181 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.378 -13.310 -3.745 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.973 -11.606 -4.566 1.00 0.00 N ATOM 1069 CA LEU A 67 0.154 -10.901 -3.968 1.00 0.00 C ATOM 1070 C LEU A 67 0.747 -9.887 -4.943 1.00 0.00 C ATOM 1071 O LEU A 67 1.194 -8.814 -4.541 1.00 0.00 O ATOM 1072 CB LEU A 67 1.225 -11.897 -3.528 1.00 0.00 C ATOM 1073 CG LEU A 67 1.688 -11.750 -2.079 1.00 0.00 C ATOM 1074 CD1 LEU A 67 2.152 -10.326 -1.808 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.572 -12.141 -1.123 1.00 0.00 C ATOM 0 H LEU A 67 -0.766 -12.561 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.209 -10.360 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.841 -12.907 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.090 -11.790 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 67 2.531 -12.421 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.478 -10.241 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.982 -10.082 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.329 -9.635 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.918 -12.031 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.290 -11.495 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.287 -13.178 -1.301 1.00 0.00 H new ATOM 1087 N GLN A 68 0.747 -10.238 -6.224 1.00 0.00 N ATOM 1088 CA GLN A 68 1.286 -9.362 -7.257 1.00 0.00 C ATOM 1089 C GLN A 68 0.398 -8.137 -7.456 1.00 0.00 C ATOM 1090 O GLN A 68 0.883 -7.054 -7.778 1.00 0.00 O ATOM 1091 CB GLN A 68 1.426 -10.123 -8.577 1.00 0.00 C ATOM 1092 CG GLN A 68 2.660 -11.009 -8.640 1.00 0.00 C ATOM 1093 CD GLN A 68 3.343 -10.962 -9.992 1.00 0.00 C ATOM 1094 OE1 GLN A 68 4.201 -10.114 -10.239 1.00 0.00 O ATOM 1095 NE2 GLN A 68 2.965 -11.876 -10.878 1.00 0.00 N ATOM 0 H GLN A 68 0.379 -11.124 -6.572 1.00 0.00 H new ATOM 0 HA GLN A 68 2.270 -9.024 -6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.539 -10.738 -8.728 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.461 -9.407 -9.398 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.366 -10.698 -7.870 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.376 -12.037 -8.416 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.250 -12.560 -10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.390 -11.894 -11.805 1.00 0.00 H new ATOM 1104 N GLU A 69 -0.905 -8.318 -7.262 1.00 0.00 N ATOM 1105 CA GLU A 69 -1.858 -7.225 -7.423 1.00 0.00 C ATOM 1106 C GLU A 69 -1.784 -6.259 -6.251 1.00 0.00 C ATOM 1107 O GLU A 69 -2.034 -5.063 -6.402 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.280 -7.768 -7.573 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.324 -6.685 -7.792 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.570 -6.400 -9.260 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -4.744 -7.366 -10.031 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.585 -5.210 -9.639 1.00 0.00 O ATOM 0 H GLU A 69 -1.324 -9.208 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.594 -6.682 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.308 -8.463 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.539 -8.336 -6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.260 -6.988 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.001 -5.769 -7.297 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.425 -6.779 -5.086 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.303 -5.956 -3.892 1.00 0.00 C ATOM 1121 C LEU A 70 -0.412 -4.749 -4.174 1.00 0.00 C ATOM 1122 O LEU A 70 -0.570 -3.690 -3.569 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.727 -6.776 -2.735 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.378 -6.520 -1.374 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.061 -7.652 -0.410 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.916 -5.187 -0.806 1.00 0.00 C ATOM 0 H LEU A 70 -1.213 -7.766 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.295 -5.604 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.826 -7.835 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.340 -6.566 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.459 -6.479 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.532 -7.453 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.442 -8.590 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.018 -7.725 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.388 -5.021 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.167 -5.199 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.195 -4.384 -1.489 1.00 0.00 H new ATOM 1138 N ARG A 71 0.526 -4.926 -5.102 1.00 0.00 N ATOM 1139 CA ARG A 71 1.447 -3.856 -5.471 1.00 0.00 C ATOM 1140 C ARG A 71 0.719 -2.737 -6.208 1.00 0.00 C ATOM 1141 O ARG A 71 0.944 -1.557 -5.943 1.00 0.00 O ATOM 1142 CB ARG A 71 2.576 -4.407 -6.344 1.00 0.00 C ATOM 1143 CG ARG A 71 3.803 -3.509 -6.389 1.00 0.00 C ATOM 1144 CD ARG A 71 5.084 -4.322 -6.466 1.00 0.00 C ATOM 1145 NE ARG A 71 6.259 -3.525 -6.120 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.810 -2.625 -6.932 1.00 0.00 C ATOM 1147 NH1 ARG A 71 6.298 -2.405 -8.136 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.876 -1.943 -6.538 1.00 0.00 N ATOM 0 H ARG A 71 0.667 -5.799 -5.611 1.00 0.00 H new ATOM 0 HA ARG A 71 1.871 -3.445 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.868 -5.388 -5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.203 -4.550 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.739 -2.846 -7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.825 -2.876 -5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.013 -5.175 -5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.200 -4.721 -7.474 1.00 0.00 H new ATOM 0 HE ARG A 71 6.682 -3.666 -5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.478 -2.927 -8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.725 -1.714 -8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.274 -2.108 -5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.299 -1.253 -7.159 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.155 -3.116 -7.136 1.00 0.00 N ATOM 1163 CA GLN A 72 -0.914 -2.144 -7.914 1.00 0.00 C ATOM 1164 C GLN A 72 -1.781 -1.276 -7.007 1.00 0.00 C ATOM 1165 O GLN A 72 -1.965 -0.086 -7.263 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.791 -2.859 -8.943 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.023 -3.356 -10.157 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.771 -3.125 -11.455 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -2.760 -3.798 -11.743 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -1.298 -2.169 -12.248 1.00 0.00 N ATOM 0 H GLN A 72 -0.355 -4.089 -7.367 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.205 -1.499 -8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.283 -3.705 -8.463 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.576 -2.179 -9.274 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.058 -2.851 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.821 -4.421 -10.043 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.475 -1.636 -11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.758 -1.969 -13.136 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.310 -1.878 -5.947 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.156 -1.157 -5.004 1.00 0.00 C ATOM 1181 C GLU A 73 -2.342 -0.147 -4.203 1.00 0.00 C ATOM 1182 O GLU A 73 -2.688 1.033 -4.140 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.850 -2.138 -4.057 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.594 -3.252 -4.774 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.088 -3.001 -4.847 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.483 -1.872 -5.206 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -6.862 -3.935 -4.548 1.00 0.00 O ATOM 0 H GLU A 73 -2.168 -2.862 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.912 -0.616 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.105 -2.578 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.552 -1.589 -3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.197 -3.358 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.412 -4.195 -4.259 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.261 -0.618 -3.592 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.397 0.244 -2.794 1.00 0.00 C ATOM 1196 C LEU A 74 0.354 1.235 -3.678 1.00 0.00 C ATOM 1197 O LEU A 74 0.618 2.368 -3.273 1.00 0.00 O ATOM 1198 CB LEU A 74 0.599 -0.597 -1.992 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.029 -1.511 -0.938 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.008 -2.478 -0.386 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.644 -0.688 0.183 1.00 0.00 C ATOM 0 H LEU A 74 -0.962 -1.592 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.027 0.806 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.176 -1.209 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.302 0.073 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.821 -2.091 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.544 -3.121 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.402 -3.091 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.822 -1.916 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.086 -1.355 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.129 -0.082 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.416 -0.037 -0.226 1.00 0.00 H new ATOM 1213 N ASN A 75 0.697 0.802 -4.887 1.00 0.00 N ATOM 1214 CA ASN A 75 1.419 1.652 -5.827 1.00 0.00 C ATOM 1215 C ASN A 75 0.622 2.912 -6.146 1.00 0.00 C ATOM 1216 O ASN A 75 1.144 4.025 -6.066 1.00 0.00 O ATOM 1217 CB ASN A 75 1.718 0.883 -7.116 1.00 0.00 C ATOM 1218 CG ASN A 75 2.536 1.697 -8.099 1.00 0.00 C ATOM 1219 OD1 ASN A 75 2.079 2.721 -8.606 1.00 0.00 O ATOM 1220 ND2 ASN A 75 3.753 1.243 -8.375 1.00 0.00 N ATOM 0 H ASN A 75 0.487 -0.132 -5.239 1.00 0.00 H new ATOM 0 HA ASN A 75 2.359 1.948 -5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.255 -0.034 -6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.780 0.588 -7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.349 1.748 -9.031 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.092 0.389 -7.931 1.00 0.00 H new ATOM 1227 N THR A 76 -0.643 2.732 -6.510 1.00 0.00 N ATOM 1228 CA THR A 76 -1.511 3.851 -6.841 1.00 0.00 C ATOM 1229 C THR A 76 -1.969 4.588 -5.593 1.00 0.00 C ATOM 1230 O THR A 76 -2.097 5.809 -5.600 1.00 0.00 O ATOM 1231 CB THR A 76 -2.729 3.385 -7.616 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.148 2.104 -7.179 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.506 3.317 -9.111 1.00 0.00 C ATOM 0 H THR A 76 -1.089 1.818 -6.583 1.00 0.00 H new ATOM 0 HA THR A 76 -0.927 4.532 -7.460 1.00 0.00 H new ATOM 0 HB THR A 76 -3.494 4.136 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.659 1.414 -7.674 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.419 2.976 -9.600 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.242 4.306 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.697 2.619 -9.327 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.229 3.843 -4.523 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.685 4.448 -3.275 1.00 0.00 C ATOM 1243 C LEU A 77 -1.766 5.602 -2.898 1.00 0.00 C ATOM 1244 O LEU A 77 -2.190 6.576 -2.277 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.714 3.408 -2.155 1.00 0.00 C ATOM 1246 CG LEU A 77 -4.000 2.582 -2.072 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.799 1.372 -1.170 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -5.151 3.439 -1.569 1.00 0.00 C ATOM 0 H LEU A 77 -2.133 2.828 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.697 4.828 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.872 2.729 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.565 3.917 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.248 2.227 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.723 0.796 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.002 0.747 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.528 1.706 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.058 2.836 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.912 3.823 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.309 4.273 -2.253 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.508 5.488 -3.304 1.00 0.00 N ATOM 1261 CA ALA A 78 0.480 6.520 -3.047 1.00 0.00 C ATOM 1262 C ALA A 78 0.218 7.757 -3.909 1.00 0.00 C ATOM 1263 O ALA A 78 0.572 8.872 -3.526 1.00 0.00 O ATOM 1264 CB ALA A 78 1.882 5.985 -3.300 1.00 0.00 C ATOM 0 H ALA A 78 -0.149 4.683 -3.817 1.00 0.00 H new ATOM 0 HA ALA A 78 0.400 6.813 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.612 6.770 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.073 5.138 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.967 5.663 -4.338 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.388 7.555 -5.086 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.669 8.664 -5.999 1.00 0.00 C ATOM 1272 C ASN A 79 -1.370 9.827 -5.291 1.00 0.00 C ATOM 1273 O ASN A 79 -0.897 10.962 -5.340 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.523 8.180 -7.172 1.00 0.00 C ATOM 1275 CG ASN A 79 -1.112 8.816 -8.486 1.00 0.00 C ATOM 1276 OD1 ASN A 79 0.057 9.145 -8.691 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -2.074 8.992 -9.384 1.00 0.00 N ATOM 0 H ASN A 79 -0.690 6.641 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 79 0.289 9.030 -6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.442 7.096 -7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.571 8.407 -6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.858 9.415 -10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.029 8.704 -9.171 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.508 9.567 -4.620 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.256 10.611 -3.909 1.00 0.00 C ATOM 1286 C PRO A 80 -2.484 11.165 -2.716 1.00 0.00 C ATOM 1287 O PRO A 80 -2.672 12.317 -2.324 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.523 9.892 -3.438 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.151 8.450 -3.396 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.158 8.249 -4.506 1.00 0.00 C ATOM 0 HA PRO A 80 -3.454 11.472 -4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.838 10.248 -2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.354 10.066 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.717 8.186 -2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.027 7.816 -3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.439 7.465 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.647 7.960 -5.436 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.614 10.340 -2.144 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.813 10.749 -0.996 1.00 0.00 C ATOM 1300 C PHE A 81 0.323 11.671 -1.425 1.00 0.00 C ATOM 1301 O PHE A 81 0.513 12.747 -0.856 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.248 9.522 -0.278 1.00 0.00 C ATOM 1303 CG PHE A 81 0.550 9.858 0.949 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.059 10.753 1.887 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.790 9.279 1.165 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.790 11.064 3.018 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.526 9.586 2.294 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.026 10.479 3.222 1.00 0.00 C ATOM 0 H PHE A 81 -1.445 9.384 -2.457 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.460 11.296 -0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.071 8.865 0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.383 8.965 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.906 11.213 1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.186 8.580 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.396 11.763 3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.491 9.128 2.451 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.599 10.720 4.105 1.00 0.00 H new ATOM 1318 N LEU A 82 1.078 11.242 -2.432 1.00 0.00 N ATOM 1319 CA LEU A 82 2.196 12.029 -2.937 1.00 0.00 C ATOM 1320 C LEU A 82 1.703 13.294 -3.633 1.00 0.00 C ATOM 1321 O LEU A 82 2.337 14.346 -3.552 1.00 0.00 O ATOM 1322 CB LEU A 82 3.037 11.195 -3.905 1.00 0.00 C ATOM 1323 CG LEU A 82 4.133 10.352 -3.251 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.423 9.114 -4.084 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.397 11.177 -3.061 1.00 0.00 C ATOM 0 H LEU A 82 0.935 10.354 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 82 2.814 12.322 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.373 10.532 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.499 11.865 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 82 3.781 10.030 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.205 8.527 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.518 8.512 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.754 9.414 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.166 10.562 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.751 11.528 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.180 12.033 -2.422 1.00 0.00 H new ATOM 1337 N ALA A 83 0.570 13.182 -4.320 1.00 0.00 N ATOM 1338 CA ALA A 83 -0.007 14.317 -5.029 1.00 0.00 C ATOM 1339 C ALA A 83 -0.309 15.467 -4.075 1.00 0.00 C ATOM 1340 O ALA A 83 0.007 16.622 -4.359 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.271 13.892 -5.764 1.00 0.00 C ATOM 0 H ALA A 83 0.035 12.318 -4.400 1.00 0.00 H new ATOM 0 HA ALA A 83 0.724 14.668 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.692 14.749 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.028 13.109 -6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.999 13.513 -5.047 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.921 15.143 -2.941 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.265 16.148 -1.943 1.00 0.00 C ATOM 1349 C LYS A 84 -0.022 16.618 -1.193 1.00 0.00 C ATOM 1350 O LYS A 84 0.155 17.812 -0.954 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.291 15.588 -0.955 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.320 16.610 -0.502 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.683 15.971 -0.291 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.807 16.904 -0.713 1.00 0.00 C ATOM 1355 NZ LYS A 84 -7.148 16.306 -0.465 1.00 0.00 N ATOM 0 H LYS A 84 -1.189 14.191 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.700 17.003 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.806 14.746 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.767 15.200 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.988 17.076 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.400 17.402 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.744 15.045 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.803 15.706 0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.722 17.844 -0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.705 17.139 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.887 16.973 -0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.239 15.422 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.256 16.105 0.550 1.00 0.00 H new ATOM 1369 N TYR A 85 0.834 15.670 -0.825 1.00 0.00 N ATOM 1370 CA TYR A 85 2.060 15.986 -0.102 1.00 0.00 C ATOM 1371 C TYR A 85 2.943 16.930 -0.914 1.00 0.00 C ATOM 1372 O TYR A 85 3.460 17.916 -0.390 1.00 0.00 O ATOM 1373 CB TYR A 85 2.828 14.704 0.224 1.00 0.00 C ATOM 1374 CG TYR A 85 3.499 14.727 1.578 1.00 0.00 C ATOM 1375 CD1 TYR A 85 4.181 15.854 2.018 1.00 0.00 C ATOM 1376 CD2 TYR A 85 3.449 13.620 2.418 1.00 0.00 C ATOM 1377 CE1 TYR A 85 4.796 15.878 3.256 1.00 0.00 C ATOM 1378 CE2 TYR A 85 4.061 13.637 3.657 1.00 0.00 C ATOM 1379 CZ TYR A 85 4.733 14.767 4.071 1.00 0.00 C ATOM 1380 OH TYR A 85 5.343 14.788 5.304 1.00 0.00 O ATOM 0 H TYR A 85 0.701 14.677 -1.016 1.00 0.00 H new ATOM 0 HA TYR A 85 1.786 16.484 0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.141 13.859 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.584 14.538 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.232 16.726 1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.924 12.733 2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.323 16.762 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.013 12.769 4.298 1.00 0.00 H new ATOM 0 HH TYR A 85 5.204 13.928 5.752 1.00 0.00 H new ATOM 1390 N ARG A 86 3.111 16.618 -2.195 1.00 0.00 N ATOM 1391 CA ARG A 86 3.932 17.437 -3.079 1.00 0.00 C ATOM 1392 C ARG A 86 3.343 18.837 -3.227 1.00 0.00 C ATOM 1393 O ARG A 86 4.066 19.832 -3.189 1.00 0.00 O ATOM 1394 CB ARG A 86 4.053 16.776 -4.454 1.00 0.00 C ATOM 1395 CG ARG A 86 5.370 17.068 -5.154 1.00 0.00 C ATOM 1396 CD ARG A 86 6.379 15.953 -4.930 1.00 0.00 C ATOM 1397 NE ARG A 86 6.278 14.910 -5.948 1.00 0.00 N ATOM 1398 CZ ARG A 86 7.147 13.909 -6.074 1.00 0.00 C ATOM 1399 NH1 ARG A 86 8.181 13.811 -5.248 1.00 0.00 N ATOM 1400 NH2 ARG A 86 6.979 13.002 -7.027 1.00 0.00 N ATOM 0 H ARG A 86 2.690 15.805 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 86 4.924 17.524 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.942 15.698 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.232 17.116 -5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.195 17.193 -6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.778 18.009 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.386 16.369 -4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.222 15.514 -3.945 1.00 0.00 H new ATOM 0 HE ARG A 86 5.495 14.951 -6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.313 14.505 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.843 13.042 -5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.184 13.072 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.644 12.235 -7.124 1.00 0.00 H new ATOM 1414 N ASP A 87 2.027 18.905 -3.394 1.00 0.00 N ATOM 1415 CA ASP A 87 1.340 20.183 -3.546 1.00 0.00 C ATOM 1416 C ASP A 87 1.517 21.049 -2.302 1.00 0.00 C ATOM 1417 O ASP A 87 1.602 22.273 -2.393 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.148 19.958 -3.818 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.454 19.833 -5.297 1.00 0.00 C ATOM 1420 OD1 ASP A 87 0.041 18.875 -5.927 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.188 20.694 -5.826 1.00 0.00 O ATOM 0 H ASP A 87 1.414 18.090 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 87 1.782 20.705 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.475 19.054 -3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.720 20.787 -3.400 1.00 0.00 H new ATOM 1426 N PHE A 88 1.570 20.403 -1.143 1.00 0.00 N ATOM 1427 CA PHE A 88 1.737 21.114 0.120 1.00 0.00 C ATOM 1428 C PHE A 88 3.047 21.896 0.137 1.00 0.00 C ATOM 1429 O PHE A 88 3.056 23.106 0.358 1.00 0.00 O ATOM 1430 CB PHE A 88 1.698 20.129 1.292 1.00 0.00 C ATOM 1431 CG PHE A 88 0.434 20.207 2.099 1.00 0.00 C ATOM 1432 CD1 PHE A 88 -0.719 19.568 1.669 1.00 0.00 C ATOM 1433 CD2 PHE A 88 0.398 20.918 3.287 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -1.883 19.639 2.409 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -0.764 20.992 4.032 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.906 20.351 3.593 1.00 0.00 C ATOM 0 H PHE A 88 1.500 19.390 -1.051 1.00 0.00 H new ATOM 0 HA PHE A 88 0.914 21.822 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.812 19.115 0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.549 20.320 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.707 19.009 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.288 21.421 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.775 19.138 2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.779 21.550 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.815 20.406 4.174 1.00 0.00 H new ATOM 1446 N LEU A 89 4.152 21.195 -0.098 1.00 0.00 N ATOM 1447 CA LEU A 89 5.468 21.823 -0.110 1.00 0.00 C ATOM 1448 C LEU A 89 6.156 21.622 -1.456 1.00 0.00 C ATOM 1449 O LEU A 89 6.708 20.555 -1.729 1.00 0.00 O ATOM 1450 CB LEU A 89 6.339 21.252 1.012 1.00 0.00 C ATOM 1451 CG LEU A 89 6.214 19.743 1.225 1.00 0.00 C ATOM 1452 CD1 LEU A 89 7.484 19.185 1.847 1.00 0.00 C ATOM 1453 CD2 LEU A 89 5.007 19.427 2.096 1.00 0.00 C ATOM 0 H LEU A 89 4.162 20.192 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 89 5.333 22.893 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.381 21.488 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.083 21.757 1.943 1.00 0.00 H new ATOM 0 HG LEU A 89 6.071 19.268 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.377 18.110 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.329 19.380 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.659 19.665 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.933 18.349 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.120 19.913 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.102 19.792 1.610 1.00 0.00 H new ATOM 1465 N LYS A 90 6.121 22.653 -2.293 1.00 0.00 N ATOM 1466 CA LYS A 90 6.742 22.590 -3.611 1.00 0.00 C ATOM 1467 C LYS A 90 6.128 21.473 -4.449 1.00 0.00 C ATOM 1468 O LYS A 90 5.245 21.775 -5.281 1.00 0.00 O ATOM 1469 CB LYS A 90 8.250 22.372 -3.477 1.00 0.00 C ATOM 1470 CG LYS A 90 9.067 23.121 -4.516 1.00 0.00 C ATOM 1471 CD LYS A 90 10.493 22.597 -4.587 1.00 0.00 C ATOM 1472 CE LYS A 90 10.668 21.614 -5.733 1.00 0.00 C ATOM 1473 NZ LYS A 90 12.102 21.297 -5.980 1.00 0.00 N ATOM 1474 OXT LYS A 90 6.534 20.306 -4.268 1.00 1.00 O ATOM 0 H LYS A 90 5.669 23.543 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 90 6.562 23.539 -4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.567 22.686 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.463 21.306 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.593 23.023 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.080 24.184 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.183 23.432 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.750 22.110 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.127 20.695 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.227 22.030 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.178 20.624 -6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.614 22.170 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.517 20.876 -5.124 1.00 0.00 H new TER 1488 LYS A 90