USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 849 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 28 THR OG1 : rot -102:sc= 0.348 USER MOD Set 1.2: A 59 GLN : amide:sc= 0 X(o=0.35,f=0.35) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 GLN : amide:sc= -5.54! C(o=-5.5!,f=-3.7!) USER MOD Single : A 4 THR OG1 : rot 35:sc= 0.0037 USER MOD Single : A 7 CYS SG : rot 173:sc= -4.29! USER MOD Single : A 9 SER OG : rot -99:sc= -3.43 USER MOD Single : A 12 THR OG1 : rot -39:sc= 0.362 USER MOD Single : A 14 MET CE :methyl -135:sc= -0.378 (180deg=-1.26) USER MOD Single : A 16 TYR OH : rot 96:sc= -2.16 USER MOD Single : A 20 ASN : amide:sc= -0.726 K(o=-0.73,f=-0.036) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.24! C(o=-4.2!,f=-4.1!) USER MOD Single : A 34 SER OG : rot -130:sc= -0.0329 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.91) USER MOD Single : A 41 ASN : amide:sc= -1.02 K(o=-1,f=-8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 45 ASN : amide:sc= -2.35! K(o=-2.3!,f=-1.2) USER MOD Single : A 46 SER OG : rot 180:sc= -0.62 USER MOD Single : A 53 LYS NZ :NH3+ -142:sc= -0.651 (180deg=-2.27!) USER MOD Single : A 54 MET CE :methyl -147:sc= -3.68! (180deg=-6.21!) USER MOD Single : A 55 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.8!) USER MOD Single : A 58 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.1!) USER MOD Single : A 63 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.1!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -154:sc= 0.528 USER MOD Single : A 73 ASN : amide:sc= -0.0742 X(o=-0.074,f=0) USER MOD Single : A 74 GLN : amide:sc= -2.67 K(o=-2.7,f=-0.97) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 78 ASN : amide:sc= -0.658 K(o=-0.66,f=-1.2) USER MOD Single : A 80 HIS : no HE2:sc= -5.2! C(o=-5.2!,f=-6.2!) USER MOD Single : A 81 GLN : amide:sc= -3.73! C(o=-3.7!,f=-4.3!) USER MOD Single : A 87 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.094) USER MOD Single : A 92 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.1) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 106 MET CE :methyl -121:sc= -11.4! (180deg=-16!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 11.975 9.507 4.545 1.00 0.00 N ATOM 47 CA THR A 4 11.568 10.205 3.331 1.00 0.00 C ATOM 48 C THR A 4 10.556 9.382 2.537 1.00 0.00 C ATOM 49 O THR A 4 10.615 8.152 2.521 1.00 0.00 O ATOM 50 CB THR A 4 12.796 10.508 2.465 1.00 0.00 C ATOM 51 OG1 THR A 4 13.610 11.493 3.077 1.00 0.00 O ATOM 52 CG2 THR A 4 12.453 11.000 1.074 1.00 0.00 C ATOM 0 HA THR A 4 11.091 11.142 3.619 1.00 0.00 H new ATOM 0 HB THR A 4 13.320 9.557 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.581 11.382 4.050 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.371 11.194 0.520 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.868 10.241 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.872 11.920 1.146 1.00 0.00 H new ATOM 60 N VAL A 5 9.633 10.071 1.873 1.00 0.00 N ATOM 61 CA VAL A 5 8.615 9.408 1.069 1.00 0.00 C ATOM 62 C VAL A 5 9.163 9.070 -0.317 1.00 0.00 C ATOM 63 O VAL A 5 10.065 9.743 -0.817 1.00 0.00 O ATOM 64 CB VAL A 5 7.349 10.283 0.931 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.446 9.775 -0.182 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.589 10.328 2.247 1.00 0.00 C ATOM 0 H VAL A 5 9.570 11.089 1.877 1.00 0.00 H new ATOM 0 HA VAL A 5 8.341 8.486 1.581 1.00 0.00 H new ATOM 0 HB VAL A 5 7.667 11.293 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.564 10.411 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.987 9.796 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.139 8.752 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.700 10.948 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.293 9.318 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.229 10.750 3.022 1.00 0.00 H new ATOM 76 N ILE A 6 8.627 8.017 -0.930 1.00 0.00 N ATOM 77 CA ILE A 6 9.083 7.593 -2.247 1.00 0.00 C ATOM 78 C ILE A 6 8.060 7.889 -3.334 1.00 0.00 C ATOM 79 O ILE A 6 8.303 8.701 -4.227 1.00 0.00 O ATOM 80 CB ILE A 6 9.392 6.084 -2.281 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.854 5.600 -0.904 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.436 5.793 -3.345 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.625 4.296 -0.930 1.00 0.00 C ATOM 0 H ILE A 6 7.880 7.445 -0.536 1.00 0.00 H new ATOM 0 HA ILE A 6 9.991 8.164 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 6 8.482 5.540 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.479 6.370 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.981 5.480 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.649 4.724 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.059 6.104 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.350 6.341 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.915 4.024 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.997 3.510 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.518 4.414 -1.543 1.00 0.00 H new ATOM 95 N CYS A 7 6.926 7.202 -3.270 1.00 0.00 N ATOM 96 CA CYS A 7 5.880 7.367 -4.267 1.00 0.00 C ATOM 97 C CYS A 7 4.584 7.877 -3.646 1.00 0.00 C ATOM 98 O CYS A 7 4.494 8.068 -2.436 1.00 0.00 O ATOM 99 CB CYS A 7 5.631 6.031 -4.966 1.00 0.00 C ATOM 100 SG CYS A 7 4.940 4.751 -3.896 1.00 0.00 S ATOM 0 H CYS A 7 6.709 6.526 -2.538 1.00 0.00 H new ATOM 0 HA CYS A 7 6.214 8.111 -4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.953 6.193 -5.804 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.572 5.671 -5.383 1.00 0.00 H new ATOM 0 HG CYS A 7 4.629 3.710 -4.610 1.00 0.00 H new ATOM 106 N SER A 8 3.583 8.086 -4.497 1.00 0.00 N ATOM 107 CA SER A 8 2.279 8.568 -4.054 1.00 0.00 C ATOM 108 C SER A 8 1.204 8.206 -5.071 1.00 0.00 C ATOM 109 O SER A 8 1.137 8.796 -6.150 1.00 0.00 O ATOM 110 CB SER A 8 2.305 10.086 -3.854 1.00 0.00 C ATOM 111 OG SER A 8 3.450 10.663 -4.460 1.00 0.00 O ATOM 0 H SER A 8 3.651 7.928 -5.502 1.00 0.00 H new ATOM 0 HA SER A 8 2.047 8.089 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.404 10.527 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.300 10.315 -2.788 1.00 0.00 H new ATOM 0 HG SER A 8 3.441 11.633 -4.319 1.00 0.00 H new ATOM 117 N SER A 9 0.369 7.230 -4.733 1.00 0.00 N ATOM 118 CA SER A 9 -0.690 6.796 -5.638 1.00 0.00 C ATOM 119 C SER A 9 -2.058 6.827 -4.964 1.00 0.00 C ATOM 120 O SER A 9 -2.171 6.659 -3.749 1.00 0.00 O ATOM 121 CB SER A 9 -0.397 5.387 -6.145 1.00 0.00 C ATOM 122 OG SER A 9 -1.496 4.867 -6.872 1.00 0.00 O ATOM 0 H SER A 9 0.403 6.727 -3.846 1.00 0.00 H new ATOM 0 HA SER A 9 -0.714 7.492 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.488 5.403 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.173 4.733 -5.302 1.00 0.00 H new ATOM 0 HG SER A 9 -2.020 4.275 -6.293 1.00 0.00 H new ATOM 128 N ARG A 10 -3.099 7.032 -5.770 1.00 0.00 N ATOM 129 CA ARG A 10 -4.466 7.072 -5.265 1.00 0.00 C ATOM 130 C ARG A 10 -5.113 5.695 -5.380 1.00 0.00 C ATOM 131 O ARG A 10 -5.032 5.045 -6.424 1.00 0.00 O ATOM 132 CB ARG A 10 -5.293 8.103 -6.037 1.00 0.00 C ATOM 133 CG ARG A 10 -6.734 8.207 -5.561 1.00 0.00 C ATOM 134 CD ARG A 10 -7.717 8.015 -6.705 1.00 0.00 C ATOM 135 NE ARG A 10 -7.557 9.032 -7.741 1.00 0.00 N ATOM 136 CZ ARG A 10 -8.415 9.212 -8.741 1.00 0.00 C ATOM 137 NH1 ARG A 10 -9.494 8.446 -8.846 1.00 0.00 N ATOM 138 NH2 ARG A 10 -8.194 10.161 -9.641 1.00 0.00 N ATOM 0 H ARG A 10 -3.019 7.173 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.436 7.363 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.818 9.080 -5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.287 7.843 -7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.919 7.457 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.896 9.182 -5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.576 7.027 -7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.735 8.049 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.739 9.640 -7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.669 7.714 -8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.148 8.589 -9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.366 10.752 -9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.852 10.299 -10.408 1.00 0.00 H new ATOM 152 N ALA A 11 -5.749 5.252 -4.302 1.00 0.00 N ATOM 153 CA ALA A 11 -6.396 3.947 -4.287 1.00 0.00 C ATOM 154 C ALA A 11 -7.161 3.736 -2.990 1.00 0.00 C ATOM 155 O ALA A 11 -7.177 4.602 -2.118 1.00 0.00 O ATOM 156 CB ALA A 11 -5.362 2.846 -4.478 1.00 0.00 C ATOM 0 H ALA A 11 -5.830 5.775 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.108 3.908 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.858 1.875 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.857 2.983 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.630 2.890 -3.672 1.00 0.00 H new ATOM 162 N THR A 12 -7.788 2.576 -2.866 1.00 0.00 N ATOM 163 CA THR A 12 -8.550 2.246 -1.671 1.00 0.00 C ATOM 164 C THR A 12 -7.937 1.048 -0.968 1.00 0.00 C ATOM 165 O THR A 12 -8.293 -0.097 -1.250 1.00 0.00 O ATOM 166 CB THR A 12 -10.005 1.951 -2.032 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.429 2.759 -3.116 1.00 0.00 O ATOM 168 CG2 THR A 12 -10.963 2.181 -0.885 1.00 0.00 C ATOM 0 H THR A 12 -7.784 1.847 -3.579 1.00 0.00 H new ATOM 0 HA THR A 12 -8.522 3.102 -0.997 1.00 0.00 H new ATOM 0 HB THR A 12 -10.028 0.894 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.059 3.661 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.979 1.953 -1.208 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.694 1.533 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.908 3.222 -0.568 1.00 0.00 H new ATOM 176 N VAL A 13 -7.007 1.311 -0.052 1.00 0.00 N ATOM 177 CA VAL A 13 -6.345 0.243 0.685 1.00 0.00 C ATOM 178 C VAL A 13 -7.360 -0.773 1.189 1.00 0.00 C ATOM 179 O VAL A 13 -8.458 -0.419 1.617 1.00 0.00 O ATOM 180 CB VAL A 13 -5.510 0.793 1.860 1.00 0.00 C ATOM 181 CG1 VAL A 13 -4.850 -0.338 2.640 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.460 1.768 1.346 1.00 0.00 C ATOM 0 H VAL A 13 -6.698 2.251 0.195 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.663 -0.253 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.181 1.321 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.268 0.078 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.618 -1.002 3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.192 -0.901 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.877 2.150 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.799 1.256 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.952 2.598 0.838 1.00 0.00 H new ATOM 192 N MET A 14 -6.985 -2.037 1.106 1.00 0.00 N ATOM 193 CA MET A 14 -7.856 -3.125 1.521 1.00 0.00 C ATOM 194 C MET A 14 -7.088 -4.183 2.310 1.00 0.00 C ATOM 195 O MET A 14 -5.875 -4.328 2.158 1.00 0.00 O ATOM 196 CB MET A 14 -8.512 -3.764 0.290 1.00 0.00 C ATOM 197 CG MET A 14 -9.869 -4.380 0.586 1.00 0.00 C ATOM 198 SD MET A 14 -11.125 -3.927 -0.626 1.00 0.00 S ATOM 199 CE MET A 14 -12.579 -3.831 0.415 1.00 0.00 C ATOM 0 H MET A 14 -6.077 -2.338 0.753 1.00 0.00 H new ATOM 0 HA MET A 14 -8.626 -2.713 2.173 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.625 -3.008 -0.487 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.850 -4.533 -0.108 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.772 -5.465 0.612 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.197 -4.065 1.577 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.411 -4.336 -0.075 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.374 -4.312 1.371 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.838 -2.786 0.583 1.00 0.00 H new ATOM 209 N LEU A 15 -7.808 -4.922 3.148 1.00 0.00 N ATOM 210 CA LEU A 15 -7.206 -5.976 3.959 1.00 0.00 C ATOM 211 C LEU A 15 -7.969 -7.284 3.780 1.00 0.00 C ATOM 212 O LEU A 15 -9.123 -7.398 4.186 1.00 0.00 O ATOM 213 CB LEU A 15 -7.194 -5.578 5.438 1.00 0.00 C ATOM 214 CG LEU A 15 -5.949 -4.819 5.904 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.956 -4.656 7.415 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.685 -5.533 5.450 1.00 0.00 C ATOM 0 H LEU A 15 -8.813 -4.810 3.284 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.178 -6.117 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.070 -4.962 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.295 -6.481 6.040 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.964 -3.827 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.063 -4.114 7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.843 -4.098 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.967 -5.638 7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.811 -4.978 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.664 -6.538 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.673 -5.595 4.362 1.00 0.00 H new ATOM 228 N TYR A 16 -7.322 -8.266 3.160 1.00 0.00 N ATOM 229 CA TYR A 16 -7.956 -9.558 2.920 1.00 0.00 C ATOM 230 C TYR A 16 -8.014 -10.399 4.188 1.00 0.00 C ATOM 231 O TYR A 16 -7.123 -10.335 5.036 1.00 0.00 O ATOM 232 CB TYR A 16 -7.212 -10.331 1.833 1.00 0.00 C ATOM 233 CG TYR A 16 -8.056 -11.392 1.166 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.880 -11.076 0.094 1.00 0.00 C ATOM 235 CD2 TYR A 16 -8.029 -12.707 1.610 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.655 -12.041 -0.518 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.801 -13.680 1.004 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.613 -13.342 -0.060 1.00 0.00 C ATOM 239 OH TYR A 16 -10.384 -14.307 -0.666 1.00 0.00 O ATOM 0 H TYR A 16 -6.364 -8.193 2.816 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.976 -9.358 2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.858 -9.630 1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.330 -10.800 2.270 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.915 -10.059 -0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.395 -12.974 2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.291 -11.779 -1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.769 -14.699 1.361 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.846 -14.785 -1.332 1.00 0.00 H new ATOM 249 N ASP A 17 -9.066 -11.201 4.295 1.00 0.00 N ATOM 250 CA ASP A 17 -9.253 -12.081 5.439 1.00 0.00 C ATOM 251 C ASP A 17 -9.436 -13.520 4.969 1.00 0.00 C ATOM 252 O ASP A 17 -10.561 -13.982 4.778 1.00 0.00 O ATOM 253 CB ASP A 17 -10.466 -11.636 6.262 1.00 0.00 C ATOM 254 CG ASP A 17 -10.187 -11.646 7.752 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.255 -10.937 8.186 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.901 -12.360 8.485 1.00 0.00 O ATOM 0 H ASP A 17 -9.807 -11.259 3.597 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.366 -12.026 6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.760 -10.632 5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.308 -12.294 6.048 1.00 0.00 H new ATOM 261 N ASP A 18 -8.322 -14.220 4.771 1.00 0.00 N ATOM 262 CA ASP A 18 -8.361 -15.606 4.309 1.00 0.00 C ATOM 263 C ASP A 18 -9.296 -16.453 5.168 1.00 0.00 C ATOM 264 O ASP A 18 -9.823 -17.467 4.711 1.00 0.00 O ATOM 265 CB ASP A 18 -6.954 -16.205 4.312 1.00 0.00 C ATOM 266 CG ASP A 18 -6.296 -16.142 2.947 1.00 0.00 C ATOM 267 OD1 ASP A 18 -6.025 -15.020 2.471 1.00 0.00 O ATOM 268 OD2 ASP A 18 -6.053 -17.214 2.356 1.00 0.00 O ATOM 0 H ASP A 18 -7.383 -13.852 4.923 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.748 -15.608 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.337 -15.672 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.005 -17.243 4.640 1.00 0.00 H new ATOM 273 N GLY A 19 -9.502 -16.031 6.413 1.00 0.00 N ATOM 274 CA GLY A 19 -10.379 -16.765 7.308 1.00 0.00 C ATOM 275 C GLY A 19 -11.741 -17.029 6.695 1.00 0.00 C ATOM 276 O GLY A 19 -12.403 -18.011 7.031 1.00 0.00 O ATOM 0 H GLY A 19 -9.078 -15.196 6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.912 -17.714 7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.503 -16.202 8.233 1.00 0.00 H new ATOM 280 N ASN A 20 -12.159 -16.150 5.789 1.00 0.00 N ATOM 281 CA ASN A 20 -13.449 -16.291 5.122 1.00 0.00 C ATOM 282 C ASN A 20 -13.344 -15.965 3.631 1.00 0.00 C ATOM 283 O ASN A 20 -14.358 -15.813 2.951 1.00 0.00 O ATOM 284 CB ASN A 20 -14.487 -15.380 5.781 1.00 0.00 C ATOM 285 CG ASN A 20 -15.019 -15.955 7.078 1.00 0.00 C ATOM 286 OD1 ASN A 20 -16.159 -16.414 7.145 1.00 0.00 O ATOM 287 ND2 ASN A 20 -14.194 -15.931 8.118 1.00 0.00 N ATOM 0 H ASN A 20 -11.623 -15.332 5.500 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.764 -17.330 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.040 -14.405 5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -15.315 -15.219 5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.497 -16.303 9.018 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.257 -15.541 8.017 1.00 0.00 H new ATOM 294 N LYS A 21 -12.114 -15.860 3.127 1.00 0.00 N ATOM 295 CA LYS A 21 -11.887 -15.555 1.717 1.00 0.00 C ATOM 296 C LYS A 21 -12.664 -14.313 1.289 1.00 0.00 C ATOM 297 O LYS A 21 -13.762 -14.416 0.743 1.00 0.00 O ATOM 298 CB LYS A 21 -12.289 -16.747 0.846 1.00 0.00 C ATOM 299 CG LYS A 21 -11.874 -16.604 -0.609 1.00 0.00 C ATOM 300 CD LYS A 21 -12.331 -17.793 -1.439 1.00 0.00 C ATOM 301 CE LYS A 21 -12.782 -17.366 -2.827 1.00 0.00 C ATOM 302 NZ LYS A 21 -12.034 -18.082 -3.898 1.00 0.00 N ATOM 0 H LYS A 21 -11.262 -15.982 3.674 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.824 -15.355 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.842 -17.653 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.370 -16.875 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.297 -15.688 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.790 -16.511 -0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.516 -18.512 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.150 -18.300 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.849 -17.559 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.639 -16.291 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.370 -17.763 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.018 -17.877 -3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.190 -19.106 -3.805 1.00 0.00 H new ATOM 316 N ARG A 22 -12.087 -13.142 1.541 1.00 0.00 N ATOM 317 CA ARG A 22 -12.728 -11.880 1.180 1.00 0.00 C ATOM 318 C ARG A 22 -11.878 -10.691 1.617 1.00 0.00 C ATOM 319 O ARG A 22 -10.918 -10.844 2.370 1.00 0.00 O ATOM 320 CB ARG A 22 -14.116 -11.786 1.820 1.00 0.00 C ATOM 321 CG ARG A 22 -14.116 -12.066 3.315 1.00 0.00 C ATOM 322 CD ARG A 22 -14.738 -10.921 4.098 1.00 0.00 C ATOM 323 NE ARG A 22 -16.184 -10.844 3.900 1.00 0.00 N ATOM 324 CZ ARG A 22 -17.060 -11.633 4.518 1.00 0.00 C ATOM 325 NH1 ARG A 22 -16.642 -12.556 5.375 1.00 0.00 N ATOM 326 NH2 ARG A 22 -18.357 -11.498 4.280 1.00 0.00 N ATOM 0 H ARG A 22 -11.178 -13.040 1.993 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.830 -11.854 0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.521 -10.789 1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.783 -12.492 1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.667 -12.985 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.093 -12.227 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.524 -11.049 5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.280 -9.981 3.791 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.543 -10.145 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.645 -12.663 5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.318 -13.158 5.846 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.684 -10.789 3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.028 -12.103 4.754 1.00 0.00 H new ATOM 340 N TRP A 23 -12.245 -9.505 1.140 1.00 0.00 N ATOM 341 CA TRP A 23 -11.523 -8.285 1.483 1.00 0.00 C ATOM 342 C TRP A 23 -12.081 -7.670 2.762 1.00 0.00 C ATOM 343 O TRP A 23 -13.105 -8.116 3.282 1.00 0.00 O ATOM 344 CB TRP A 23 -11.620 -7.268 0.343 1.00 0.00 C ATOM 345 CG TRP A 23 -10.626 -7.491 -0.758 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.906 -7.703 -2.074 1.00 0.00 C ATOM 347 CD2 TRP A 23 -9.196 -7.516 -0.645 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.744 -7.870 -2.787 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.681 -7.757 -1.933 1.00 0.00 C ATOM 350 CE3 TRP A 23 -8.302 -7.360 0.417 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -7.316 -7.847 -2.185 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.947 -7.447 0.166 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.465 -7.688 -1.126 1.00 0.00 C ATOM 0 H TRP A 23 -13.038 -9.363 0.515 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.477 -8.547 1.643 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.625 -7.302 -0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.478 -6.267 0.750 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.899 -7.735 -2.496 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.683 -8.049 -3.789 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.664 -7.175 1.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.942 -8.036 -3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.247 -7.327 0.980 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.399 -7.750 -1.290 1.00 0.00 H new ATOM 364 N LEU A 24 -11.407 -6.640 3.258 1.00 0.00 N ATOM 365 CA LEU A 24 -11.837 -5.954 4.470 1.00 0.00 C ATOM 366 C LEU A 24 -11.154 -4.590 4.585 1.00 0.00 C ATOM 367 O LEU A 24 -9.929 -4.498 4.522 1.00 0.00 O ATOM 368 CB LEU A 24 -11.531 -6.807 5.705 1.00 0.00 C ATOM 369 CG LEU A 24 -12.759 -7.381 6.414 1.00 0.00 C ATOM 370 CD1 LEU A 24 -12.343 -8.410 7.454 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.572 -6.268 7.058 1.00 0.00 C ATOM 0 H LEU A 24 -10.558 -6.261 2.838 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.914 -5.798 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.883 -7.632 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.969 -6.201 6.416 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.384 -7.877 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.230 -8.807 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.804 -9.223 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.696 -7.939 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.442 -6.695 7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.956 -5.743 7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.902 -5.568 6.291 1.00 0.00 H new ATOM 383 N PRO A 25 -11.938 -3.508 4.752 1.00 0.00 N ATOM 384 CA PRO A 25 -11.401 -2.149 4.868 1.00 0.00 C ATOM 385 C PRO A 25 -10.154 -2.074 5.747 1.00 0.00 C ATOM 386 O PRO A 25 -10.246 -2.086 6.975 1.00 0.00 O ATOM 387 CB PRO A 25 -12.554 -1.384 5.510 1.00 0.00 C ATOM 388 CG PRO A 25 -13.780 -2.069 5.014 1.00 0.00 C ATOM 389 CD PRO A 25 -13.412 -3.522 4.833 1.00 0.00 C ATOM 0 HA PRO A 25 -11.080 -1.753 3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.494 -1.416 6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.542 -0.333 5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.600 -1.961 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.115 -1.633 4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.760 -4.129 5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.858 -3.937 3.929 1.00 0.00 H new ATOM 397 N ALA A 26 -8.991 -1.995 5.107 1.00 0.00 N ATOM 398 CA ALA A 26 -7.719 -1.915 5.820 1.00 0.00 C ATOM 399 C ALA A 26 -7.770 -0.884 6.941 1.00 0.00 C ATOM 400 O ALA A 26 -7.373 -1.161 8.073 1.00 0.00 O ATOM 401 CB ALA A 26 -6.599 -1.575 4.850 1.00 0.00 C ATOM 0 H ALA A 26 -8.903 -1.985 4.091 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.526 -2.889 6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.654 -1.517 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.533 -2.349 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.806 -0.615 4.378 1.00 0.00 H new ATOM 407 N GLY A 27 -8.256 0.304 6.612 1.00 0.00 N ATOM 408 CA GLY A 27 -8.350 1.373 7.590 1.00 0.00 C ATOM 409 C GLY A 27 -9.212 1.003 8.783 1.00 0.00 C ATOM 410 O GLY A 27 -8.897 0.069 9.521 1.00 0.00 O ATOM 0 H GLY A 27 -8.589 0.549 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.349 1.632 7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.761 2.262 7.112 1.00 0.00 H new ATOM 414 N THR A 28 -10.301 1.741 8.977 1.00 0.00 N ATOM 415 CA THR A 28 -11.205 1.488 10.094 1.00 0.00 C ATOM 416 C THR A 28 -12.602 1.124 9.600 1.00 0.00 C ATOM 417 O THR A 28 -12.962 -0.050 9.536 1.00 0.00 O ATOM 418 CB THR A 28 -11.271 2.712 11.010 1.00 0.00 C ATOM 419 OG1 THR A 28 -11.734 3.846 10.299 1.00 0.00 O ATOM 420 CG2 THR A 28 -9.936 3.071 11.626 1.00 0.00 C ATOM 0 H THR A 28 -10.578 2.517 8.377 1.00 0.00 H new ATOM 0 HA THR A 28 -10.814 0.642 10.659 1.00 0.00 H new ATOM 0 HB THR A 28 -11.960 2.438 11.809 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.976 4.428 10.083 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.053 3.947 12.264 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.574 2.234 12.223 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.218 3.291 10.836 1.00 0.00 H new ATOM 428 N GLY A 29 -13.387 2.139 9.255 1.00 0.00 N ATOM 429 CA GLY A 29 -14.737 1.905 8.775 1.00 0.00 C ATOM 430 C GLY A 29 -15.006 2.571 7.439 1.00 0.00 C ATOM 431 O GLY A 29 -14.892 1.932 6.392 1.00 0.00 O ATOM 0 H GLY A 29 -13.112 3.120 9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.904 0.832 8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.450 2.276 9.512 1.00 0.00 H new ATOM 435 N PRO A 30 -15.368 3.866 7.439 1.00 0.00 N ATOM 436 CA PRO A 30 -15.652 4.607 6.206 1.00 0.00 C ATOM 437 C PRO A 30 -14.572 4.411 5.149 1.00 0.00 C ATOM 438 O PRO A 30 -13.430 4.082 5.470 1.00 0.00 O ATOM 439 CB PRO A 30 -15.687 6.062 6.673 1.00 0.00 C ATOM 440 CG PRO A 30 -16.110 5.988 8.099 1.00 0.00 C ATOM 441 CD PRO A 30 -15.528 4.708 8.640 1.00 0.00 C ATOM 0 HA PRO A 30 -16.575 4.273 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.710 6.534 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.388 6.652 6.082 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.746 6.849 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.197 5.989 8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.574 4.880 9.139 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.190 4.243 9.370 1.00 0.00 H new ATOM 449 N GLN A 31 -14.939 4.613 3.888 1.00 0.00 N ATOM 450 CA GLN A 31 -13.996 4.454 2.789 1.00 0.00 C ATOM 451 C GLN A 31 -14.239 5.491 1.699 1.00 0.00 C ATOM 452 O GLN A 31 -15.380 5.836 1.390 1.00 0.00 O ATOM 453 CB GLN A 31 -14.094 3.043 2.202 1.00 0.00 C ATOM 454 CG GLN A 31 -13.184 2.801 1.009 1.00 0.00 C ATOM 455 CD GLN A 31 -13.802 1.868 -0.014 1.00 0.00 C ATOM 456 OE1 GLN A 31 -13.802 0.650 0.161 1.00 0.00 O ATOM 457 NE2 GLN A 31 -14.334 2.438 -1.089 1.00 0.00 N ATOM 0 H GLN A 31 -15.880 4.886 3.603 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.992 4.606 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.853 2.320 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.125 2.857 1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.953 3.754 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.240 2.380 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.311 3.452 -1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.765 1.861 -1.811 1.00 0.00 H new ATOM 466 N ALA A 32 -13.150 5.973 1.118 1.00 0.00 N ATOM 467 CA ALA A 32 -13.211 6.964 0.054 1.00 0.00 C ATOM 468 C ALA A 32 -11.838 7.129 -0.579 1.00 0.00 C ATOM 469 O ALA A 32 -11.375 8.244 -0.815 1.00 0.00 O ATOM 470 CB ALA A 32 -13.719 8.294 0.591 1.00 0.00 C ATOM 0 H ALA A 32 -12.203 5.690 1.370 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.909 6.619 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.758 9.022 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.717 8.161 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.046 8.653 1.370 1.00 0.00 H new ATOM 476 N PHE A 33 -11.185 5.999 -0.828 1.00 0.00 N ATOM 477 CA PHE A 33 -9.849 5.994 -1.412 1.00 0.00 C ATOM 478 C PHE A 33 -8.856 6.638 -0.457 1.00 0.00 C ATOM 479 O PHE A 33 -9.207 6.992 0.669 1.00 0.00 O ATOM 480 CB PHE A 33 -9.830 6.728 -2.755 1.00 0.00 C ATOM 481 CG PHE A 33 -10.340 5.901 -3.898 1.00 0.00 C ATOM 482 CD1 PHE A 33 -11.701 5.748 -4.109 1.00 0.00 C ATOM 483 CD2 PHE A 33 -9.457 5.275 -4.759 1.00 0.00 C ATOM 484 CE1 PHE A 33 -12.169 4.984 -5.161 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.918 4.511 -5.811 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.276 4.365 -6.014 1.00 0.00 C ATOM 0 H PHE A 33 -11.561 5.071 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.562 4.957 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.433 7.632 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.810 7.044 -2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.403 6.231 -3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.394 5.386 -4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.232 4.871 -5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.217 4.027 -6.475 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.639 3.768 -6.838 1.00 0.00 H new ATOM 496 N SER A 34 -7.618 6.787 -0.903 1.00 0.00 N ATOM 497 CA SER A 34 -6.586 7.386 -0.072 1.00 0.00 C ATOM 498 C SER A 34 -5.298 7.593 -0.859 1.00 0.00 C ATOM 499 O SER A 34 -5.065 6.942 -1.878 1.00 0.00 O ATOM 500 CB SER A 34 -6.322 6.503 1.153 1.00 0.00 C ATOM 501 OG SER A 34 -4.934 6.347 1.396 1.00 0.00 O ATOM 0 H SER A 34 -7.305 6.503 -1.831 1.00 0.00 H new ATOM 0 HA SER A 34 -6.939 8.363 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.798 6.944 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.777 5.524 1.001 1.00 0.00 H new ATOM 0 HG SER A 34 -4.727 5.396 1.509 1.00 0.00 H new ATOM 507 N ARG A 35 -4.457 8.490 -0.363 1.00 0.00 N ATOM 508 CA ARG A 35 -3.179 8.774 -0.998 1.00 0.00 C ATOM 509 C ARG A 35 -2.078 8.014 -0.279 1.00 0.00 C ATOM 510 O ARG A 35 -1.565 8.466 0.745 1.00 0.00 O ATOM 511 CB ARG A 35 -2.886 10.275 -0.977 1.00 0.00 C ATOM 512 CG ARG A 35 -1.871 10.707 -2.025 1.00 0.00 C ATOM 513 CD ARG A 35 -0.652 11.355 -1.390 1.00 0.00 C ATOM 514 NE ARG A 35 -0.898 12.748 -1.026 1.00 0.00 N ATOM 515 CZ ARG A 35 -0.918 13.750 -1.901 1.00 0.00 C ATOM 516 NH1 ARG A 35 -0.712 13.519 -3.192 1.00 0.00 N ATOM 517 NH2 ARG A 35 -1.147 14.989 -1.486 1.00 0.00 N ATOM 0 H ARG A 35 -4.638 9.035 0.480 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.222 8.452 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.816 10.821 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.518 10.552 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.560 9.841 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.338 11.408 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.365 10.794 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.188 11.305 -2.083 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.064 12.965 -0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.537 12.569 -3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.729 14.292 -3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.308 15.174 -0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.162 15.757 -2.157 1.00 0.00 H new ATOM 531 N VAL A 36 -1.738 6.845 -0.802 1.00 0.00 N ATOM 532 CA VAL A 36 -0.720 6.012 -0.185 1.00 0.00 C ATOM 533 C VAL A 36 0.655 6.245 -0.789 1.00 0.00 C ATOM 534 O VAL A 36 0.866 6.076 -1.990 1.00 0.00 O ATOM 535 CB VAL A 36 -1.070 4.517 -0.282 1.00 0.00 C ATOM 536 CG1 VAL A 36 -0.089 3.690 0.532 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.494 4.270 0.190 1.00 0.00 C ATOM 0 H VAL A 36 -2.151 6.454 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.692 6.303 0.865 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.997 4.213 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.350 2.635 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.921 3.844 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.133 3.998 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.723 3.207 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.594 4.590 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.187 4.836 -0.432 1.00 0.00 H new ATOM 547 N GLN A 37 1.590 6.618 0.073 1.00 0.00 N ATOM 548 CA GLN A 37 2.962 6.864 -0.327 1.00 0.00 C ATOM 549 C GLN A 37 3.870 5.819 0.308 1.00 0.00 C ATOM 550 O GLN A 37 3.426 5.042 1.153 1.00 0.00 O ATOM 551 CB GLN A 37 3.385 8.270 0.097 1.00 0.00 C ATOM 552 CG GLN A 37 2.424 9.352 -0.366 1.00 0.00 C ATOM 553 CD GLN A 37 3.046 10.736 -0.355 1.00 0.00 C ATOM 554 OE1 GLN A 37 2.752 11.555 0.516 1.00 0.00 O ATOM 555 NE2 GLN A 37 3.911 11.007 -1.326 1.00 0.00 N ATOM 0 H GLN A 37 1.416 6.758 1.068 1.00 0.00 H new ATOM 0 HA GLN A 37 3.044 6.792 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.465 8.306 1.183 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.377 8.480 -0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.082 9.120 -1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.544 9.349 0.277 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.127 10.300 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.359 11.922 -1.369 1.00 0.00 H new ATOM 564 N ILE A 38 5.134 5.796 -0.086 1.00 0.00 N ATOM 565 CA ILE A 38 6.071 4.834 0.470 1.00 0.00 C ATOM 566 C ILE A 38 7.178 5.559 1.215 1.00 0.00 C ATOM 567 O ILE A 38 7.470 6.716 0.928 1.00 0.00 O ATOM 568 CB ILE A 38 6.662 3.926 -0.629 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.567 3.028 -1.200 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.803 3.073 -0.080 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.025 2.211 -2.384 1.00 0.00 C ATOM 0 H ILE A 38 5.531 6.427 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 38 5.530 4.196 1.169 1.00 0.00 H new ATOM 0 HB ILE A 38 7.062 4.560 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.213 2.356 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.719 3.645 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.201 2.443 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.593 3.722 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.431 2.445 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.200 1.595 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.352 2.878 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.854 1.569 -2.085 1.00 0.00 H new ATOM 583 N TYR A 39 7.781 4.885 2.183 1.00 0.00 N ATOM 584 CA TYR A 39 8.842 5.491 2.973 1.00 0.00 C ATOM 585 C TYR A 39 10.187 4.828 2.716 1.00 0.00 C ATOM 586 O TYR A 39 10.360 3.633 2.951 1.00 0.00 O ATOM 587 CB TYR A 39 8.487 5.423 4.455 1.00 0.00 C ATOM 588 CG TYR A 39 7.682 6.610 4.917 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.430 6.876 4.377 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.178 7.474 5.881 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.696 7.970 4.785 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.451 8.569 6.299 1.00 0.00 C ATOM 593 CZ TYR A 39 6.209 8.815 5.748 1.00 0.00 C ATOM 594 OH TYR A 39 5.481 9.906 6.161 1.00 0.00 O ATOM 0 H TYR A 39 7.555 3.924 2.439 1.00 0.00 H new ATOM 0 HA TYR A 39 8.933 6.534 2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.923 4.510 4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.404 5.361 5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.025 6.215 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.150 7.286 6.312 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.725 8.164 4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.851 9.230 7.053 1.00 0.00 H new ATOM 0 HH TYR A 39 5.985 10.396 6.844 1.00 0.00 H new ATOM 604 N HIS A 40 11.138 5.623 2.234 1.00 0.00 N ATOM 605 CA HIS A 40 12.477 5.131 1.941 1.00 0.00 C ATOM 606 C HIS A 40 13.408 5.352 3.129 1.00 0.00 C ATOM 607 O HIS A 40 14.059 6.390 3.231 1.00 0.00 O ATOM 608 CB HIS A 40 13.044 5.830 0.702 1.00 0.00 C ATOM 609 CG HIS A 40 14.293 5.197 0.174 1.00 0.00 C ATOM 610 ND1 HIS A 40 14.494 4.930 -1.164 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.412 4.775 0.812 1.00 0.00 C ATOM 612 CE1 HIS A 40 15.681 4.372 -1.327 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.257 4.268 -0.144 1.00 0.00 N ATOM 0 H HIS A 40 11.003 6.615 2.038 1.00 0.00 H new ATOM 0 HA HIS A 40 12.407 4.061 1.746 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.287 5.830 -0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.250 6.872 0.946 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.603 4.828 1.874 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.107 4.055 -2.268 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.181 3.874 0.032 1.00 0.00 H new ATOM 622 N ASN A 41 13.460 4.370 4.023 1.00 0.00 N ATOM 623 CA ASN A 41 14.310 4.448 5.207 1.00 0.00 C ATOM 624 C ASN A 41 15.601 3.658 5.003 1.00 0.00 C ATOM 625 O ASN A 41 15.639 2.453 5.251 1.00 0.00 O ATOM 626 CB ASN A 41 13.571 3.901 6.429 1.00 0.00 C ATOM 627 CG ASN A 41 12.155 4.430 6.540 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.712 5.231 5.717 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.434 3.982 7.562 1.00 0.00 N ATOM 0 H ASN A 41 12.921 3.507 3.950 1.00 0.00 H new ATOM 0 HA ASN A 41 14.559 5.496 5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.545 2.813 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.124 4.163 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.474 4.302 7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.841 3.318 8.221 1.00 0.00 H new ATOM 636 N PRO A 42 16.679 4.320 4.551 1.00 0.00 N ATOM 637 CA PRO A 42 17.963 3.660 4.322 1.00 0.00 C ATOM 638 C PRO A 42 18.771 3.497 5.605 1.00 0.00 C ATOM 639 O PRO A 42 19.634 2.623 5.695 1.00 0.00 O ATOM 640 CB PRO A 42 18.666 4.618 3.374 1.00 0.00 C ATOM 641 CG PRO A 42 18.166 5.962 3.779 1.00 0.00 C ATOM 642 CD PRO A 42 16.739 5.759 4.223 1.00 0.00 C ATOM 0 HA PRO A 42 17.845 2.648 3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.750 4.550 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.424 4.399 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.770 6.376 4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.220 6.665 2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.496 6.378 5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.033 6.020 3.435 1.00 0.00 H new ATOM 650 N THR A 43 18.487 4.338 6.597 1.00 0.00 N ATOM 651 CA THR A 43 19.190 4.277 7.876 1.00 0.00 C ATOM 652 C THR A 43 19.249 2.842 8.391 1.00 0.00 C ATOM 653 O THR A 43 20.192 2.454 9.078 1.00 0.00 O ATOM 654 CB THR A 43 18.499 5.173 8.906 1.00 0.00 C ATOM 655 OG1 THR A 43 18.052 6.375 8.304 1.00 0.00 O ATOM 656 CG2 THR A 43 19.392 5.548 10.069 1.00 0.00 C ATOM 0 H THR A 43 17.777 5.068 6.540 1.00 0.00 H new ATOM 0 HA THR A 43 20.208 4.634 7.722 1.00 0.00 H new ATOM 0 HB THR A 43 17.663 4.585 9.285 1.00 0.00 H new ATOM 0 HG1 THR A 43 17.611 6.934 8.978 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.840 6.184 10.761 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.716 4.644 10.585 1.00 0.00 H new ATOM 0 HG23 THR A 43 20.264 6.087 9.699 1.00 0.00 H new ATOM 664 N ALA A 44 18.233 2.058 8.042 1.00 0.00 N ATOM 665 CA ALA A 44 18.163 0.663 8.454 1.00 0.00 C ATOM 666 C ALA A 44 17.854 -0.250 7.270 1.00 0.00 C ATOM 667 O ALA A 44 17.632 -1.448 7.443 1.00 0.00 O ATOM 668 CB ALA A 44 17.117 0.489 9.545 1.00 0.00 C ATOM 0 H ALA A 44 17.445 2.368 7.473 1.00 0.00 H new ATOM 0 HA ALA A 44 19.138 0.379 8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.074 -0.558 9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.384 1.102 10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.142 0.798 9.167 1.00 0.00 H new ATOM 674 N ASN A 45 17.834 0.322 6.067 1.00 0.00 N ATOM 675 CA ASN A 45 17.542 -0.445 4.862 1.00 0.00 C ATOM 676 C ASN A 45 16.147 -1.043 4.954 1.00 0.00 C ATOM 677 O ASN A 45 15.949 -2.237 4.732 1.00 0.00 O ATOM 678 CB ASN A 45 18.584 -1.549 4.663 1.00 0.00 C ATOM 679 CG ASN A 45 18.331 -2.372 3.412 1.00 0.00 C ATOM 680 OD1 ASN A 45 18.392 -3.601 3.443 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.046 -1.697 2.302 1.00 0.00 N ATOM 0 H ASN A 45 18.016 1.312 5.903 1.00 0.00 H new ATOM 0 HA ASN A 45 17.584 0.223 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.576 -1.101 4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.582 -2.206 5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.868 -2.198 1.432 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.006 -0.678 2.321 1.00 0.00 H new ATOM 688 N SER A 46 15.183 -0.198 5.299 1.00 0.00 N ATOM 689 CA SER A 46 13.798 -0.639 5.435 1.00 0.00 C ATOM 690 C SER A 46 12.837 0.318 4.736 1.00 0.00 C ATOM 691 O SER A 46 13.134 1.500 4.568 1.00 0.00 O ATOM 692 CB SER A 46 13.427 -0.762 6.914 1.00 0.00 C ATOM 693 OG SER A 46 14.119 -1.835 7.527 1.00 0.00 O ATOM 0 H SER A 46 15.333 0.793 5.489 1.00 0.00 H new ATOM 0 HA SER A 46 13.710 -1.615 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.663 0.169 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.352 -0.916 7.011 1.00 0.00 H new ATOM 0 HG SER A 46 13.865 -1.891 8.472 1.00 0.00 H new ATOM 699 N PHE A 47 11.682 -0.207 4.336 1.00 0.00 N ATOM 700 CA PHE A 47 10.670 0.595 3.659 1.00 0.00 C ATOM 701 C PHE A 47 9.337 0.508 4.395 1.00 0.00 C ATOM 702 O PHE A 47 9.190 -0.278 5.331 1.00 0.00 O ATOM 703 CB PHE A 47 10.511 0.127 2.211 1.00 0.00 C ATOM 704 CG PHE A 47 11.644 0.554 1.325 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.713 1.852 0.854 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.640 -0.339 0.969 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.754 2.256 0.041 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.686 0.058 0.156 1.00 0.00 C ATOM 709 CZ PHE A 47 13.743 1.357 -0.308 1.00 0.00 C ATOM 0 H PHE A 47 11.425 -1.185 4.470 1.00 0.00 H new ATOM 0 HA PHE A 47 10.994 1.636 3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.434 -0.960 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.577 0.519 1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.943 2.559 1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.600 -1.356 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.795 3.273 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.457 -0.647 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.559 1.670 -0.943 1.00 0.00 H new ATOM 719 N ARG A 48 8.369 1.319 3.978 1.00 0.00 N ATOM 720 CA ARG A 48 7.057 1.319 4.619 1.00 0.00 C ATOM 721 C ARG A 48 6.005 1.993 3.744 1.00 0.00 C ATOM 722 O ARG A 48 6.314 2.889 2.960 1.00 0.00 O ATOM 723 CB ARG A 48 7.135 2.024 5.975 1.00 0.00 C ATOM 724 CG ARG A 48 5.826 2.020 6.748 1.00 0.00 C ATOM 725 CD ARG A 48 6.055 1.787 8.233 1.00 0.00 C ATOM 726 NE ARG A 48 4.934 2.259 9.041 1.00 0.00 N ATOM 727 CZ ARG A 48 4.741 3.535 9.367 1.00 0.00 C ATOM 728 NH1 ARG A 48 5.587 4.470 8.951 1.00 0.00 N ATOM 729 NH2 ARG A 48 3.699 3.879 10.112 1.00 0.00 N ATOM 0 H ARG A 48 8.466 1.979 3.206 1.00 0.00 H new ATOM 0 HA ARG A 48 6.758 0.281 4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.904 1.543 6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.450 3.056 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.314 2.971 6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.172 1.242 6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.209 0.723 8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.966 2.298 8.544 1.00 0.00 H new ATOM 0 HE ARG A 48 4.259 1.571 9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.391 4.212 8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.433 5.446 9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.045 3.166 10.435 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.551 4.857 10.362 1.00 0.00 H new ATOM 743 N VAL A 49 4.758 1.555 3.895 1.00 0.00 N ATOM 744 CA VAL A 49 3.650 2.112 3.135 1.00 0.00 C ATOM 745 C VAL A 49 2.753 2.946 4.044 1.00 0.00 C ATOM 746 O VAL A 49 2.368 2.504 5.127 1.00 0.00 O ATOM 747 CB VAL A 49 2.818 0.997 2.466 1.00 0.00 C ATOM 748 CG1 VAL A 49 2.368 -0.029 3.494 1.00 0.00 C ATOM 749 CG2 VAL A 49 1.623 1.581 1.726 1.00 0.00 C ATOM 0 H VAL A 49 4.492 0.812 4.541 1.00 0.00 H new ATOM 0 HA VAL A 49 4.066 2.748 2.354 1.00 0.00 H new ATOM 0 HB VAL A 49 3.452 0.493 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.783 -0.806 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.242 -0.478 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.756 0.460 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.053 0.776 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.987 2.119 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.973 2.268 0.955 1.00 0.00 H new ATOM 759 N VAL A 50 2.432 4.157 3.606 1.00 0.00 N ATOM 760 CA VAL A 50 1.591 5.049 4.393 1.00 0.00 C ATOM 761 C VAL A 50 0.590 5.780 3.507 1.00 0.00 C ATOM 762 O VAL A 50 0.974 6.481 2.572 1.00 0.00 O ATOM 763 CB VAL A 50 2.428 6.089 5.167 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.700 6.526 6.428 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.803 5.531 5.511 1.00 0.00 C ATOM 0 H VAL A 50 2.740 4.543 2.713 1.00 0.00 H new ATOM 0 HA VAL A 50 1.057 4.424 5.109 1.00 0.00 H new ATOM 0 HB VAL A 50 2.565 6.960 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.305 7.259 6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.742 6.972 6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.530 5.661 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.374 6.282 6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.690 4.641 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.330 5.270 4.593 1.00 0.00 H new ATOM 775 N GLY A 51 -0.693 5.611 3.804 1.00 0.00 N ATOM 776 CA GLY A 51 -1.723 6.261 3.017 1.00 0.00 C ATOM 777 C GLY A 51 -2.891 6.735 3.855 1.00 0.00 C ATOM 778 O GLY A 51 -3.302 6.063 4.799 1.00 0.00 O ATOM 0 H GLY A 51 -1.038 5.037 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.290 7.112 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.085 5.568 2.257 1.00 0.00 H new ATOM 782 N ARG A 52 -3.428 7.898 3.500 1.00 0.00 N ATOM 783 CA ARG A 52 -4.560 8.474 4.216 1.00 0.00 C ATOM 784 C ARG A 52 -5.692 8.820 3.254 1.00 0.00 C ATOM 785 O ARG A 52 -5.471 8.979 2.053 1.00 0.00 O ATOM 786 CB ARG A 52 -4.126 9.724 4.983 1.00 0.00 C ATOM 787 CG ARG A 52 -3.222 10.647 4.181 1.00 0.00 C ATOM 788 CD ARG A 52 -2.565 11.694 5.067 1.00 0.00 C ATOM 789 NE ARG A 52 -1.128 11.795 4.822 1.00 0.00 N ATOM 790 CZ ARG A 52 -0.595 12.451 3.794 1.00 0.00 C ATOM 791 NH1 ARG A 52 -1.375 13.064 2.912 1.00 0.00 N ATOM 792 NH2 ARG A 52 0.722 12.494 3.646 1.00 0.00 N ATOM 0 H ARG A 52 -3.096 8.462 2.718 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.924 7.731 4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.013 10.277 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.607 9.420 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.453 10.059 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.804 11.141 3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.032 12.663 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.738 11.443 6.114 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.496 11.336 5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.389 13.034 3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.961 13.565 2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.327 12.024 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.131 12.997 2.858 1.00 0.00 H new ATOM 806 N LYS A 53 -6.904 8.934 3.788 1.00 0.00 N ATOM 807 CA LYS A 53 -8.071 9.260 2.978 1.00 0.00 C ATOM 808 C LYS A 53 -7.882 10.589 2.258 1.00 0.00 C ATOM 809 O LYS A 53 -6.957 11.344 2.557 1.00 0.00 O ATOM 810 CB LYS A 53 -9.326 9.313 3.855 1.00 0.00 C ATOM 811 CG LYS A 53 -10.308 8.186 3.580 1.00 0.00 C ATOM 812 CD LYS A 53 -9.641 6.827 3.696 1.00 0.00 C ATOM 813 CE LYS A 53 -10.661 5.699 3.680 1.00 0.00 C ATOM 814 NZ LYS A 53 -10.238 4.575 2.799 1.00 0.00 N ATOM 0 H LYS A 53 -7.103 8.805 4.780 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.192 8.478 2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.029 9.277 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.828 10.268 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.139 8.246 4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.727 8.303 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.938 6.695 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.063 6.782 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.808 5.329 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.622 6.084 3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.068 4.191 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.548 4.921 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.803 3.827 3.376 1.00 0.00 H new ATOM 828 N MET A 54 -8.767 10.872 1.308 1.00 0.00 N ATOM 829 CA MET A 54 -8.698 12.112 0.547 1.00 0.00 C ATOM 830 C MET A 54 -9.805 13.068 0.970 1.00 0.00 C ATOM 831 O MET A 54 -10.447 13.708 0.136 1.00 0.00 O ATOM 832 CB MET A 54 -8.793 11.825 -0.952 1.00 0.00 C ATOM 833 CG MET A 54 -7.929 10.658 -1.402 1.00 0.00 C ATOM 834 SD MET A 54 -7.306 10.863 -3.081 1.00 0.00 S ATOM 835 CE MET A 54 -5.661 10.172 -2.918 1.00 0.00 C ATOM 0 H MET A 54 -9.540 10.259 1.048 1.00 0.00 H new ATOM 0 HA MET A 54 -7.738 12.584 0.754 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.832 11.618 -1.209 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.500 12.718 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.088 10.548 -0.717 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.510 9.737 -1.344 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.977 10.701 -3.582 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.322 10.279 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.682 9.116 -3.185 1.00 0.00 H new ATOM 845 N GLN A 55 -10.019 13.160 2.277 1.00 0.00 N ATOM 846 CA GLN A 55 -11.047 14.040 2.825 1.00 0.00 C ATOM 847 C GLN A 55 -10.465 14.944 3.911 1.00 0.00 C ATOM 848 O GLN A 55 -9.389 14.673 4.444 1.00 0.00 O ATOM 849 CB GLN A 55 -12.208 13.219 3.392 1.00 0.00 C ATOM 850 CG GLN A 55 -11.771 11.978 4.154 1.00 0.00 C ATOM 851 CD GLN A 55 -12.819 11.505 5.143 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.450 12.310 5.829 1.00 0.00 O ATOM 853 NE2 GLN A 55 -13.013 10.193 5.219 1.00 0.00 N ATOM 0 H GLN A 55 -9.495 12.636 2.978 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.421 14.668 2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.798 13.852 4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.862 12.919 2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.557 11.177 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.843 12.190 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.468 9.562 4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.707 9.817 5.865 1.00 0.00 H new ATOM 862 N PRO A 56 -11.171 16.038 4.249 1.00 0.00 N ATOM 863 CA PRO A 56 -10.718 16.986 5.273 1.00 0.00 C ATOM 864 C PRO A 56 -10.248 16.296 6.550 1.00 0.00 C ATOM 865 O PRO A 56 -9.357 16.789 7.241 1.00 0.00 O ATOM 866 CB PRO A 56 -11.965 17.826 5.544 1.00 0.00 C ATOM 867 CG PRO A 56 -12.724 17.794 4.263 1.00 0.00 C ATOM 868 CD PRO A 56 -12.462 16.439 3.658 1.00 0.00 C ATOM 0 HA PRO A 56 -9.857 17.564 4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.552 17.411 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.703 18.846 5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.789 17.944 4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.395 18.590 3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.253 15.730 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.407 16.490 2.571 1.00 0.00 H new ATOM 876 N ASP A 57 -10.850 15.151 6.857 1.00 0.00 N ATOM 877 CA ASP A 57 -10.488 14.397 8.053 1.00 0.00 C ATOM 878 C ASP A 57 -9.071 13.843 7.936 1.00 0.00 C ATOM 879 O ASP A 57 -8.249 14.019 8.836 1.00 0.00 O ATOM 880 CB ASP A 57 -11.480 13.254 8.280 1.00 0.00 C ATOM 881 CG ASP A 57 -12.493 13.575 9.361 1.00 0.00 C ATOM 882 OD1 ASP A 57 -12.077 14.008 10.456 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.703 13.395 9.112 1.00 0.00 O ATOM 0 H ASP A 57 -11.588 14.726 6.296 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.525 15.074 8.906 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.003 13.040 7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.934 12.351 8.554 1.00 0.00 H new ATOM 888 N GLN A 58 -8.792 13.177 6.821 1.00 0.00 N ATOM 889 CA GLN A 58 -7.475 12.600 6.583 1.00 0.00 C ATOM 890 C GLN A 58 -7.140 11.542 7.631 1.00 0.00 C ATOM 891 O GLN A 58 -6.630 11.857 8.706 1.00 0.00 O ATOM 892 CB GLN A 58 -6.407 13.696 6.583 1.00 0.00 C ATOM 893 CG GLN A 58 -5.714 13.870 5.242 1.00 0.00 C ATOM 894 CD GLN A 58 -6.279 15.025 4.439 1.00 0.00 C ATOM 895 OE1 GLN A 58 -6.686 16.044 4.998 1.00 0.00 O ATOM 896 NE2 GLN A 58 -6.307 14.872 3.121 1.00 0.00 N ATOM 0 H GLN A 58 -9.462 13.023 6.067 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.491 12.118 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.868 14.641 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.659 13.463 7.341 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.649 14.033 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.810 12.950 4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.959 14.010 2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.676 15.616 2.529 1.00 0.00 H new ATOM 905 N GLN A 59 -7.428 10.286 7.306 1.00 0.00 N ATOM 906 CA GLN A 59 -7.156 9.176 8.212 1.00 0.00 C ATOM 907 C GLN A 59 -6.303 8.117 7.520 1.00 0.00 C ATOM 908 O GLN A 59 -6.660 7.627 6.448 1.00 0.00 O ATOM 909 CB GLN A 59 -8.466 8.554 8.700 1.00 0.00 C ATOM 910 CG GLN A 59 -9.323 7.987 7.580 1.00 0.00 C ATOM 911 CD GLN A 59 -10.744 7.696 8.024 1.00 0.00 C ATOM 912 OE1 GLN A 59 -11.664 8.464 7.741 1.00 0.00 O ATOM 913 NE2 GLN A 59 -10.930 6.582 8.722 1.00 0.00 N ATOM 0 H GLN A 59 -7.851 10.011 6.419 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.607 9.562 9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.239 7.759 9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.039 9.309 9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.343 8.693 6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.867 7.069 7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.138 5.975 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.865 6.334 9.047 1.00 0.00 H new ATOM 922 N VAL A 60 -5.173 7.774 8.129 1.00 0.00 N ATOM 923 CA VAL A 60 -4.277 6.780 7.556 1.00 0.00 C ATOM 924 C VAL A 60 -4.954 5.415 7.458 1.00 0.00 C ATOM 925 O VAL A 60 -5.360 4.837 8.466 1.00 0.00 O ATOM 926 CB VAL A 60 -2.968 6.654 8.368 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.340 8.023 8.578 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.210 5.961 9.703 1.00 0.00 C ATOM 0 H VAL A 60 -4.858 8.168 9.015 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.028 7.124 6.552 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.274 6.038 7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.419 7.917 9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.115 8.472 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.035 8.662 9.123 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.270 5.888 10.250 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.927 6.538 10.288 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.607 4.961 9.527 1.00 0.00 H new ATOM 938 N VAL A 61 -5.075 4.908 6.236 1.00 0.00 N ATOM 939 CA VAL A 61 -5.704 3.613 6.006 1.00 0.00 C ATOM 940 C VAL A 61 -4.662 2.494 5.965 1.00 0.00 C ATOM 941 O VAL A 61 -4.987 1.323 6.162 1.00 0.00 O ATOM 942 CB VAL A 61 -6.529 3.610 4.698 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.375 4.870 4.596 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.629 3.471 3.476 1.00 0.00 C ATOM 0 H VAL A 61 -4.746 5.374 5.390 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.381 3.432 6.841 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.193 2.746 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.948 4.849 3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.058 4.919 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.726 5.746 4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.239 3.472 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.929 4.306 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.074 2.535 3.538 1.00 0.00 H new ATOM 954 N ILE A 62 -3.407 2.865 5.716 1.00 0.00 N ATOM 955 CA ILE A 62 -2.318 1.900 5.659 1.00 0.00 C ATOM 956 C ILE A 62 -1.080 2.456 6.349 1.00 0.00 C ATOM 957 O ILE A 62 -0.730 3.622 6.168 1.00 0.00 O ATOM 958 CB ILE A 62 -1.960 1.518 4.206 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.978 0.347 4.192 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.372 2.710 3.464 1.00 0.00 C ATOM 961 CD1 ILE A 62 -1.028 -0.470 2.921 1.00 0.00 C ATOM 0 H ILE A 62 -3.122 3.830 5.551 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.660 1.002 6.175 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.875 1.215 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.033 0.730 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.189 -0.304 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.127 2.418 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.099 3.522 3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.468 3.045 3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.305 -1.283 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.028 -0.883 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.787 0.166 2.070 1.00 0.00 H new ATOM 973 N ASN A 63 -0.425 1.622 7.142 1.00 0.00 N ATOM 974 CA ASN A 63 0.767 2.043 7.859 1.00 0.00 C ATOM 975 C ASN A 63 1.574 0.835 8.326 1.00 0.00 C ATOM 976 O ASN A 63 1.664 0.557 9.522 1.00 0.00 O ATOM 977 CB ASN A 63 0.372 2.922 9.048 1.00 0.00 C ATOM 978 CG ASN A 63 -0.581 2.222 9.997 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.718 0.999 9.971 1.00 0.00 O ATOM 980 ND2 ASN A 63 -1.251 2.999 10.843 1.00 0.00 N ATOM 0 H ASN A 63 -0.698 0.653 7.305 1.00 0.00 H new ATOM 0 HA ASN A 63 1.396 2.623 7.184 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.270 3.217 9.592 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.093 3.837 8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.909 2.585 11.504 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.107 4.009 10.831 1.00 0.00 H new ATOM 987 N CYS A 64 2.157 0.119 7.369 1.00 0.00 N ATOM 988 CA CYS A 64 2.956 -1.064 7.673 1.00 0.00 C ATOM 989 C CYS A 64 4.296 -1.018 6.945 1.00 0.00 C ATOM 990 O CYS A 64 4.358 -0.699 5.758 1.00 0.00 O ATOM 991 CB CYS A 64 2.195 -2.333 7.285 1.00 0.00 C ATOM 992 SG CYS A 64 2.467 -3.728 8.403 1.00 0.00 S ATOM 0 H CYS A 64 2.091 0.338 6.375 1.00 0.00 H new ATOM 0 HA CYS A 64 3.146 -1.077 8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.129 -2.109 7.254 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.489 -2.626 6.277 1.00 0.00 H new ATOM 0 HG CYS A 64 1.780 -4.753 7.993 1.00 0.00 H new ATOM 998 N ALA A 65 5.367 -1.335 7.667 1.00 0.00 N ATOM 999 CA ALA A 65 6.708 -1.324 7.095 1.00 0.00 C ATOM 1000 C ALA A 65 6.965 -2.559 6.236 1.00 0.00 C ATOM 1001 O ALA A 65 6.535 -3.663 6.571 1.00 0.00 O ATOM 1002 CB ALA A 65 7.748 -1.225 8.200 1.00 0.00 C ATOM 0 H ALA A 65 5.331 -1.603 8.651 1.00 0.00 H new ATOM 0 HA ALA A 65 6.786 -0.450 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.746 -1.218 7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.593 -0.305 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.652 -2.081 8.868 1.00 0.00 H new ATOM 1008 N ILE A 66 7.680 -2.362 5.130 1.00 0.00 N ATOM 1009 CA ILE A 66 8.011 -3.457 4.224 1.00 0.00 C ATOM 1010 C ILE A 66 9.519 -3.613 4.091 1.00 0.00 C ATOM 1011 O ILE A 66 10.223 -2.659 3.756 1.00 0.00 O ATOM 1012 CB ILE A 66 7.417 -3.244 2.816 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.516 -1.777 2.399 1.00 0.00 C ATOM 1014 CG2 ILE A 66 5.972 -3.717 2.770 1.00 0.00 C ATOM 1015 CD1 ILE A 66 7.858 -1.600 0.935 1.00 0.00 C ATOM 0 H ILE A 66 8.041 -1.453 4.841 1.00 0.00 H new ATOM 0 HA ILE A 66 7.577 -4.357 4.658 1.00 0.00 H new ATOM 0 HB ILE A 66 7.997 -3.837 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.568 -1.281 2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.275 -1.283 3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.569 -3.559 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.929 -4.778 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.381 -3.153 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.914 -0.537 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.820 -2.069 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.087 -2.067 0.322 1.00 0.00 H new ATOM 1027 N VAL A 67 10.014 -4.818 4.347 1.00 0.00 N ATOM 1028 CA VAL A 67 11.441 -5.083 4.247 1.00 0.00 C ATOM 1029 C VAL A 67 11.717 -6.445 3.627 1.00 0.00 C ATOM 1030 O VAL A 67 11.457 -7.480 4.240 1.00 0.00 O ATOM 1031 CB VAL A 67 12.133 -5.020 5.616 1.00 0.00 C ATOM 1032 CG1 VAL A 67 12.144 -3.594 6.150 1.00 0.00 C ATOM 1033 CG2 VAL A 67 11.461 -5.965 6.601 1.00 0.00 C ATOM 0 H VAL A 67 9.451 -5.622 4.624 1.00 0.00 H new ATOM 0 HA VAL A 67 11.846 -4.302 3.604 1.00 0.00 H new ATOM 0 HB VAL A 67 13.167 -5.341 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.639 -3.573 7.121 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.681 -2.949 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.119 -3.238 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.966 -5.905 7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.415 -5.682 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.519 -6.986 6.223 1.00 0.00 H new ATOM 1043 N ARG A 68 12.261 -6.424 2.412 1.00 0.00 N ATOM 1044 CA ARG A 68 12.606 -7.641 1.673 1.00 0.00 C ATOM 1045 C ARG A 68 11.714 -8.821 2.069 1.00 0.00 C ATOM 1046 O ARG A 68 12.154 -9.724 2.783 1.00 0.00 O ATOM 1047 CB ARG A 68 14.076 -7.999 1.921 1.00 0.00 C ATOM 1048 CG ARG A 68 14.508 -9.324 1.308 1.00 0.00 C ATOM 1049 CD ARG A 68 15.466 -10.073 2.220 1.00 0.00 C ATOM 1050 NE ARG A 68 16.036 -11.249 1.568 1.00 0.00 N ATOM 1051 CZ ARG A 68 15.396 -12.409 1.437 1.00 0.00 C ATOM 1052 NH1 ARG A 68 14.164 -12.551 1.910 1.00 0.00 N ATOM 1053 NH2 ARG A 68 15.989 -13.429 0.831 1.00 0.00 N ATOM 0 H ARG A 68 12.476 -5.563 1.910 1.00 0.00 H new ATOM 0 HA ARG A 68 12.445 -7.442 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.705 -7.204 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.253 -8.034 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.630 -9.941 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.987 -9.142 0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.270 -9.405 2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.941 -10.379 3.125 1.00 0.00 H new ATOM 0 HE ARG A 68 16.981 -11.177 1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.703 -11.769 2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.678 -13.442 1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.935 -13.325 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.499 -14.318 0.731 1.00 0.00 H new ATOM 1067 N GLY A 69 10.464 -8.813 1.615 1.00 0.00 N ATOM 1068 CA GLY A 69 9.563 -9.897 1.957 1.00 0.00 C ATOM 1069 C GLY A 69 8.246 -9.855 1.205 1.00 0.00 C ATOM 1070 O GLY A 69 7.684 -10.899 0.879 1.00 0.00 O ATOM 0 H GLY A 69 10.063 -8.085 1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.058 -10.847 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.361 -9.866 3.028 1.00 0.00 H new ATOM 1074 N VAL A 70 7.743 -8.655 0.936 1.00 0.00 N ATOM 1075 CA VAL A 70 6.478 -8.512 0.230 1.00 0.00 C ATOM 1076 C VAL A 70 6.694 -8.384 -1.277 1.00 0.00 C ATOM 1077 O VAL A 70 7.630 -7.722 -1.730 1.00 0.00 O ATOM 1078 CB VAL A 70 5.678 -7.298 0.761 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.757 -6.729 -0.302 1.00 0.00 C ATOM 1080 CG2 VAL A 70 4.868 -7.691 1.980 1.00 0.00 C ATOM 0 H VAL A 70 8.189 -7.775 1.194 1.00 0.00 H new ATOM 0 HA VAL A 70 5.898 -9.416 0.416 1.00 0.00 H new ATOM 0 HB VAL A 70 6.398 -6.527 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.212 -5.878 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.347 -6.404 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.050 -7.495 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.311 -6.826 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.171 -8.486 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.538 -8.044 2.764 1.00 0.00 H new ATOM 1090 N LYS A 71 5.815 -9.022 -2.044 1.00 0.00 N ATOM 1091 CA LYS A 71 5.892 -8.986 -3.498 1.00 0.00 C ATOM 1092 C LYS A 71 4.567 -8.516 -4.091 1.00 0.00 C ATOM 1093 O LYS A 71 3.571 -9.239 -4.061 1.00 0.00 O ATOM 1094 CB LYS A 71 6.251 -10.369 -4.046 1.00 0.00 C ATOM 1095 CG LYS A 71 7.380 -10.346 -5.064 1.00 0.00 C ATOM 1096 CD LYS A 71 8.740 -10.307 -4.387 1.00 0.00 C ATOM 1097 CE LYS A 71 9.819 -9.808 -5.334 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.364 -10.903 -6.182 1.00 0.00 N ATOM 0 H LYS A 71 5.038 -9.572 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 71 6.672 -8.281 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.534 -11.017 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.366 -10.809 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.315 -11.228 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.270 -9.476 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.694 -9.658 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.999 -11.304 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.408 -9.025 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.628 -9.358 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.097 -10.521 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.779 -11.638 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.598 -11.316 -6.751 1.00 0.00 H new ATOM 1112 N TYR A 72 4.562 -7.299 -4.625 1.00 0.00 N ATOM 1113 CA TYR A 72 3.359 -6.724 -5.222 1.00 0.00 C ATOM 1114 C TYR A 72 2.751 -7.666 -6.258 1.00 0.00 C ATOM 1115 O TYR A 72 3.421 -8.083 -7.203 1.00 0.00 O ATOM 1116 CB TYR A 72 3.684 -5.372 -5.865 1.00 0.00 C ATOM 1117 CG TYR A 72 3.338 -4.184 -4.994 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.325 -4.298 -3.610 1.00 0.00 C ATOM 1119 CD2 TYR A 72 3.029 -2.949 -5.555 1.00 0.00 C ATOM 1120 CE1 TYR A 72 3.014 -3.220 -2.809 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.717 -1.863 -4.760 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.711 -2.003 -3.386 1.00 0.00 C ATOM 1123 OH TYR A 72 2.406 -0.926 -2.586 1.00 0.00 O ATOM 0 H TYR A 72 5.379 -6.689 -4.657 1.00 0.00 H new ATOM 0 HA TYR A 72 2.626 -6.577 -4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.747 -5.339 -6.103 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.144 -5.289 -6.808 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.563 -5.247 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.033 -2.837 -6.629 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.007 -3.327 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.479 -0.911 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 72 1.841 -0.298 -3.084 1.00 0.00 H new ATOM 1133 N ASN A 73 1.477 -7.994 -6.071 1.00 0.00 N ATOM 1134 CA ASN A 73 0.771 -8.884 -6.987 1.00 0.00 C ATOM 1135 C ASN A 73 -0.420 -8.173 -7.621 1.00 0.00 C ATOM 1136 O ASN A 73 -1.409 -7.878 -6.951 1.00 0.00 O ATOM 1137 CB ASN A 73 0.302 -10.141 -6.248 1.00 0.00 C ATOM 1138 CG ASN A 73 0.683 -11.415 -6.977 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.225 -12.346 -6.382 1.00 0.00 O ATOM 1140 ND2 ASN A 73 0.400 -11.462 -8.274 1.00 0.00 N ATOM 0 H ASN A 73 0.911 -7.657 -5.292 1.00 0.00 H new ATOM 0 HA ASN A 73 1.460 -9.176 -7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.735 -10.154 -5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.781 -10.105 -6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.633 -12.293 -8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.050 -10.667 -8.727 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.315 -7.899 -8.916 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.379 -7.219 -9.645 1.00 0.00 C ATOM 1149 C GLN A 74 -2.617 -8.104 -9.754 1.00 0.00 C ATOM 1150 O GLN A 74 -2.742 -8.903 -10.682 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.897 -6.823 -11.040 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.823 -5.850 -11.752 1.00 0.00 C ATOM 1153 CD GLN A 74 -2.413 -6.430 -13.024 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -1.900 -6.204 -14.120 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -3.498 -7.182 -12.882 1.00 0.00 N ATOM 0 H GLN A 74 0.498 -8.138 -9.484 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.646 -6.319 -9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.094 -6.375 -10.959 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.792 -7.722 -11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.631 -5.564 -11.079 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.272 -4.941 -11.993 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.889 -7.343 -11.954 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.940 -7.599 -13.701 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.531 -7.954 -8.800 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.761 -8.736 -8.790 1.00 0.00 C ATOM 1166 C ALA A 75 -5.623 -8.415 -10.005 1.00 0.00 C ATOM 1167 O ALA A 75 -6.252 -9.300 -10.586 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.536 -8.479 -7.507 1.00 0.00 C ATOM 0 H ALA A 75 -3.442 -7.298 -8.024 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.494 -9.792 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.453 -9.069 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.926 -8.764 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.786 -7.420 -7.439 1.00 0.00 H new ATOM 1174 N THR A 76 -5.647 -7.141 -10.384 1.00 0.00 N ATOM 1175 CA THR A 76 -6.431 -6.696 -11.531 1.00 0.00 C ATOM 1176 C THR A 76 -5.729 -5.540 -12.242 1.00 0.00 C ATOM 1177 O THR A 76 -4.713 -5.036 -11.762 1.00 0.00 O ATOM 1178 CB THR A 76 -7.834 -6.268 -11.083 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.839 -4.916 -10.661 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.385 -7.105 -9.947 1.00 0.00 C ATOM 0 H THR A 76 -5.132 -6.398 -9.913 1.00 0.00 H new ATOM 0 HA THR A 76 -6.524 -7.528 -12.229 1.00 0.00 H new ATOM 0 HB THR A 76 -8.468 -6.410 -11.958 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.744 -4.664 -10.381 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.380 -6.748 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.446 -8.148 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.727 -7.023 -9.082 1.00 0.00 H new ATOM 1188 N PRO A 77 -6.257 -5.099 -13.399 1.00 0.00 N ATOM 1189 CA PRO A 77 -5.664 -3.997 -14.162 1.00 0.00 C ATOM 1190 C PRO A 77 -5.403 -2.768 -13.296 1.00 0.00 C ATOM 1191 O PRO A 77 -4.528 -1.957 -13.599 1.00 0.00 O ATOM 1192 CB PRO A 77 -6.722 -3.692 -15.224 1.00 0.00 C ATOM 1193 CG PRO A 77 -7.452 -4.978 -15.404 1.00 0.00 C ATOM 1194 CD PRO A 77 -7.467 -5.635 -14.051 1.00 0.00 C ATOM 0 HA PRO A 77 -4.691 -4.263 -14.576 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.393 -2.897 -14.899 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.265 -3.361 -16.156 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.466 -4.805 -15.766 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.955 -5.610 -16.140 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.369 -5.385 -13.493 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.433 -6.722 -14.131 1.00 0.00 H new ATOM 1202 N ASN A 78 -6.165 -2.642 -12.214 1.00 0.00 N ATOM 1203 CA ASN A 78 -6.015 -1.516 -11.300 1.00 0.00 C ATOM 1204 C ASN A 78 -6.211 -1.964 -9.854 1.00 0.00 C ATOM 1205 O ASN A 78 -7.123 -1.503 -9.167 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.015 -0.411 -11.648 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.454 -0.874 -11.527 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.899 -1.755 -12.263 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.191 -0.279 -10.596 1.00 0.00 N ATOM 0 H ASN A 78 -6.893 -3.306 -11.949 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.004 -1.123 -11.406 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.854 0.442 -10.988 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.832 -0.066 -12.666 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.167 -0.548 -10.469 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.781 0.447 -10.008 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.346 -2.865 -9.395 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.427 -3.373 -8.030 1.00 0.00 C ATOM 1218 C PHE A 79 -4.126 -4.058 -7.618 1.00 0.00 C ATOM 1219 O PHE A 79 -3.839 -5.174 -8.050 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.593 -4.356 -7.898 1.00 0.00 C ATOM 1221 CG PHE A 79 -7.151 -4.454 -6.505 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.483 -5.170 -5.523 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.347 -3.833 -6.180 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -6.998 -5.263 -4.242 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.865 -3.922 -4.902 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.191 -4.638 -3.932 1.00 0.00 C ATOM 0 H PHE A 79 -4.583 -3.257 -9.947 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.594 -2.524 -7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.390 -4.053 -8.578 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.261 -5.344 -8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.551 -5.660 -5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.880 -3.273 -6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.468 -5.823 -3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.797 -3.432 -4.662 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.596 -4.709 -2.933 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.346 -3.389 -6.772 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.084 -3.946 -6.298 1.00 0.00 C ATOM 1238 C HIS A 80 -2.266 -4.587 -4.929 1.00 0.00 C ATOM 1239 O HIS A 80 -2.594 -3.914 -3.953 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.003 -2.868 -6.239 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.079 -2.898 -7.418 1.00 0.00 C ATOM 1242 ND1 HIS A 80 0.121 -1.817 -8.252 1.00 0.00 N ATOM 1243 CD2 HIS A 80 0.697 -3.896 -7.908 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.976 -2.148 -9.203 1.00 0.00 C ATOM 1245 NE2 HIS A 80 1.340 -3.403 -9.016 1.00 0.00 N ATOM 0 H HIS A 80 -3.566 -2.464 -6.402 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.765 -4.713 -7.003 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.478 -1.888 -6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.422 -2.994 -5.326 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.322 -0.904 -8.150 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.792 -4.892 -7.502 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.319 -1.502 -9.998 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.067 -5.897 -4.870 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.223 -6.639 -3.626 1.00 0.00 C ATOM 1256 C GLN A 81 -0.932 -7.365 -3.259 1.00 0.00 C ATOM 1257 O GLN A 81 -0.215 -7.853 -4.131 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.372 -7.643 -3.770 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.386 -8.735 -2.711 1.00 0.00 C ATOM 1260 CD GLN A 81 -4.370 -9.842 -3.031 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -5.411 -9.605 -3.642 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -4.042 -11.059 -2.617 1.00 0.00 N ATOM 0 H GLN A 81 -1.797 -6.469 -5.670 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.453 -5.936 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.318 -7.103 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.311 -8.108 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.386 -9.158 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.639 -8.297 -1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.168 -11.208 -2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.664 -11.846 -2.802 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.650 -7.447 -1.962 1.00 0.00 N ATOM 1272 CA TRP A 82 0.552 -8.134 -1.497 1.00 0.00 C ATOM 1273 C TRP A 82 0.313 -8.890 -0.197 1.00 0.00 C ATOM 1274 O TRP A 82 -0.497 -8.487 0.637 1.00 0.00 O ATOM 1275 CB TRP A 82 1.717 -7.163 -1.298 1.00 0.00 C ATOM 1276 CG TRP A 82 1.414 -6.009 -0.393 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.648 -5.938 0.952 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.840 -4.752 -0.768 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.263 -4.712 1.433 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.759 -3.968 0.398 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.387 -4.215 -1.975 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.246 -2.674 0.391 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.123 -2.931 -1.981 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.189 -2.173 -0.806 1.00 0.00 C ATOM 0 H TRP A 82 -1.229 -7.052 -1.221 1.00 0.00 H new ATOM 0 HA TRP A 82 0.808 -8.849 -2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.567 -7.713 -0.893 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.021 -6.776 -2.270 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.074 -6.731 1.549 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.339 -4.404 2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.434 -4.792 -2.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.193 -2.087 1.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.477 -2.505 -2.908 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.592 -1.172 -0.845 1.00 0.00 H new ATOM 1295 N ARG A 83 1.058 -9.975 -0.031 1.00 0.00 N ATOM 1296 CA ARG A 83 0.981 -10.794 1.168 1.00 0.00 C ATOM 1297 C ARG A 83 2.291 -10.682 1.937 1.00 0.00 C ATOM 1298 O ARG A 83 3.351 -11.041 1.424 1.00 0.00 O ATOM 1299 CB ARG A 83 0.703 -12.255 0.805 1.00 0.00 C ATOM 1300 CG ARG A 83 0.326 -13.118 1.999 1.00 0.00 C ATOM 1301 CD ARG A 83 0.201 -14.582 1.610 1.00 0.00 C ATOM 1302 NE ARG A 83 1.505 -15.230 1.484 1.00 0.00 N ATOM 1303 CZ ARG A 83 1.705 -16.375 0.836 1.00 0.00 C ATOM 1304 NH1 ARG A 83 0.691 -17.002 0.253 1.00 0.00 N ATOM 1305 NH2 ARG A 83 2.924 -16.894 0.770 1.00 0.00 N ATOM 0 H ARG A 83 1.730 -10.310 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 83 0.161 -10.438 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.103 -12.291 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.587 -12.677 0.327 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.079 -13.011 2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.618 -12.770 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.393 -15.106 2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.336 -14.661 0.665 1.00 0.00 H new ATOM 0 HE ARG A 83 2.309 -14.778 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.248 -16.607 0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.851 -17.879 -0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.707 -16.416 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.078 -17.772 0.274 1.00 0.00 H new ATOM 1319 N ASP A 84 2.221 -10.161 3.154 1.00 0.00 N ATOM 1320 CA ASP A 84 3.418 -9.981 3.964 1.00 0.00 C ATOM 1321 C ASP A 84 3.649 -11.179 4.885 1.00 0.00 C ATOM 1322 O ASP A 84 4.455 -12.058 4.580 1.00 0.00 O ATOM 1323 CB ASP A 84 3.312 -8.670 4.763 1.00 0.00 C ATOM 1324 CG ASP A 84 4.061 -8.697 6.084 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.261 -9.043 6.079 1.00 0.00 O ATOM 1326 OD2 ASP A 84 3.446 -8.372 7.121 1.00 0.00 O ATOM 0 H ASP A 84 1.355 -9.858 3.600 1.00 0.00 H new ATOM 0 HA ASP A 84 4.282 -9.916 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.697 -7.852 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.261 -8.457 4.956 1.00 0.00 H new ATOM 1331 N ALA A 85 2.946 -11.209 6.008 1.00 0.00 N ATOM 1332 CA ALA A 85 3.086 -12.300 6.964 1.00 0.00 C ATOM 1333 C ALA A 85 1.932 -13.286 6.843 1.00 0.00 C ATOM 1334 O ALA A 85 2.121 -14.437 6.450 1.00 0.00 O ATOM 1335 CB ALA A 85 3.167 -11.752 8.381 1.00 0.00 C ATOM 0 H ALA A 85 2.274 -10.492 6.280 1.00 0.00 H new ATOM 0 HA ALA A 85 4.010 -12.832 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.271 -12.578 9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.029 -11.091 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.258 -11.194 8.608 1.00 0.00 H new ATOM 1341 N ARG A 86 0.736 -12.824 7.184 1.00 0.00 N ATOM 1342 CA ARG A 86 -0.457 -13.665 7.116 1.00 0.00 C ATOM 1343 C ARG A 86 -1.660 -12.888 6.580 1.00 0.00 C ATOM 1344 O ARG A 86 -2.726 -13.461 6.360 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.784 -14.237 8.498 1.00 0.00 C ATOM 1346 CG ARG A 86 -2.099 -15.005 8.547 1.00 0.00 C ATOM 1347 CD ARG A 86 -2.050 -16.128 9.571 1.00 0.00 C ATOM 1348 NE ARG A 86 -3.384 -16.605 9.924 1.00 0.00 N ATOM 1349 CZ ARG A 86 -4.094 -17.443 9.173 1.00 0.00 C ATOM 1350 NH1 ARG A 86 -3.603 -17.898 8.027 1.00 0.00 N ATOM 1351 NH2 ARG A 86 -5.300 -17.828 9.569 1.00 0.00 N ATOM 0 H ARG A 86 0.564 -11.873 7.510 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.245 -14.482 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.025 -14.899 8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.823 -13.421 9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.912 -14.322 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.317 -15.418 7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.462 -16.956 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.541 -15.778 10.469 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.796 -16.277 10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.676 -17.605 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.152 -18.540 7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.683 -17.482 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.845 -18.470 8.994 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.489 -11.585 6.373 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.568 -10.752 5.868 1.00 0.00 C ATOM 1367 C GLN A 87 -2.303 -10.341 4.427 1.00 0.00 C ATOM 1368 O GLN A 87 -1.278 -10.696 3.845 1.00 0.00 O ATOM 1369 CB GLN A 87 -2.732 -9.508 6.744 1.00 0.00 C ATOM 1370 CG GLN A 87 -4.178 -9.198 7.096 1.00 0.00 C ATOM 1371 CD GLN A 87 -4.481 -9.427 8.563 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -5.486 -10.046 8.912 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -3.610 -8.926 9.430 1.00 0.00 N ATOM 0 H GLN A 87 -0.616 -11.088 6.547 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.490 -11.333 5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.164 -9.644 7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.301 -8.651 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.396 -8.161 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.837 -9.820 6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.790 -8.420 9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.760 -9.047 10.432 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.231 -9.584 3.862 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.103 -9.114 2.491 1.00 0.00 C ATOM 1384 C VAL A 88 -3.561 -7.668 2.382 1.00 0.00 C ATOM 1385 O VAL A 88 -4.727 -7.357 2.622 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.919 -9.979 1.510 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -3.348 -9.874 0.106 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.957 -11.431 1.967 1.00 0.00 C ATOM 0 H VAL A 88 -4.083 -9.281 4.333 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.049 -9.191 2.222 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.942 -9.603 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.936 -10.491 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.383 -8.836 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.314 -10.220 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.539 -12.020 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.941 -11.823 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.418 -11.490 2.953 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.635 -6.785 2.034 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.943 -5.367 1.911 1.00 0.00 C ATOM 1400 C TRP A 89 -3.305 -5.002 0.477 1.00 0.00 C ATOM 1401 O TRP A 89 -2.463 -4.531 -0.288 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.752 -4.533 2.376 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.610 -4.477 3.865 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.953 -5.372 4.662 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.137 -3.471 4.736 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -1.044 -4.984 5.977 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.766 -3.820 6.049 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.886 -2.310 4.533 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -2.121 -3.046 7.152 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.238 -1.544 5.628 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.856 -1.913 6.922 1.00 0.00 C ATOM 0 H TRP A 89 -1.665 -7.026 1.832 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.805 -5.152 2.542 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.839 -4.946 1.947 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -1.855 -3.519 1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.438 -6.254 4.310 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.640 -5.481 6.771 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.185 -2.016 3.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.827 -3.329 8.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.818 -0.645 5.482 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.146 -1.292 7.757 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.568 -5.212 0.124 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.026 -4.890 -1.213 1.00 0.00 C ATOM 1424 C GLY A 90 -5.090 -3.398 -1.452 1.00 0.00 C ATOM 1425 O GLY A 90 -5.147 -2.617 -0.506 1.00 0.00 O ATOM 0 H GLY A 90 -5.282 -5.600 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.357 -5.345 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.013 -5.324 -1.371 1.00 0.00 H new ATOM 1429 N LEU A 91 -5.078 -2.998 -2.716 1.00 0.00 N ATOM 1430 CA LEU A 91 -5.135 -1.585 -3.065 1.00 0.00 C ATOM 1431 C LEU A 91 -5.944 -1.370 -4.332 1.00 0.00 C ATOM 1432 O LEU A 91 -5.485 -1.688 -5.428 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.726 -1.018 -3.266 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.224 -0.094 -2.157 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -4.180 1.073 -1.962 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.037 -0.870 -0.862 1.00 0.00 C ATOM 0 H LEU A 91 -5.029 -3.630 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.620 -1.064 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.029 -1.850 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.705 -0.471 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.255 0.310 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.807 1.720 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.254 1.641 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.165 0.695 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.679 -0.197 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.989 -1.304 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.308 -1.666 -1.017 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.137 -0.809 -4.190 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.975 -0.541 -5.351 1.00 0.00 C ATOM 1450 C ASN A 92 -7.721 0.870 -5.859 1.00 0.00 C ATOM 1451 O ASN A 92 -8.193 1.850 -5.285 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.457 -0.711 -5.022 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.287 -1.067 -6.245 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -11.264 -1.809 -6.146 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -9.907 -0.541 -7.413 1.00 0.00 N ATOM 0 H ASN A 92 -7.542 -0.534 -3.295 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.715 -1.263 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.572 -1.491 -4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.837 0.212 -4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.433 -0.750 -8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.091 0.070 -7.456 1.00 0.00 H new ATOM 1462 N PHE A 93 -6.956 0.954 -6.938 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.607 2.229 -7.541 1.00 0.00 C ATOM 1464 C PHE A 93 -7.810 2.897 -8.190 1.00 0.00 C ATOM 1465 O PHE A 93 -8.807 2.247 -8.503 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.507 2.023 -8.577 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.247 1.449 -7.995 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.434 2.211 -7.172 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -3.885 0.139 -8.258 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.287 1.679 -6.624 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -2.735 -0.398 -7.716 1.00 0.00 C ATOM 1472 CZ PHE A 93 -1.936 0.374 -6.897 1.00 0.00 C ATOM 0 H PHE A 93 -6.562 0.144 -7.417 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.252 2.887 -6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.874 1.359 -9.360 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.279 2.978 -9.050 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.702 3.235 -6.957 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.510 -0.470 -8.895 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.664 2.283 -5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.461 -1.420 -7.932 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.036 -0.044 -6.470 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.701 4.206 -8.393 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.777 4.957 -9.010 1.00 0.00 C ATOM 1484 C GLY A 94 -8.392 5.503 -10.372 1.00 0.00 C ATOM 1485 O GLY A 94 -9.027 6.428 -10.879 1.00 0.00 O ATOM 0 H GLY A 94 -6.883 4.761 -8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.652 4.316 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.061 5.782 -8.357 1.00 0.00 H new ATOM 1489 N SER A 95 -7.349 4.928 -10.965 1.00 0.00 N ATOM 1490 CA SER A 95 -6.876 5.359 -12.275 1.00 0.00 C ATOM 1491 C SER A 95 -5.680 4.522 -12.720 1.00 0.00 C ATOM 1492 O SER A 95 -5.048 3.844 -11.909 1.00 0.00 O ATOM 1493 CB SER A 95 -6.493 6.840 -12.242 1.00 0.00 C ATOM 1494 OG SER A 95 -6.873 7.492 -13.442 1.00 0.00 O ATOM 0 H SER A 95 -6.815 4.161 -10.557 1.00 0.00 H new ATOM 0 HA SER A 95 -7.685 5.218 -12.992 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.975 7.325 -11.393 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.417 6.938 -12.096 1.00 0.00 H new ATOM 0 HG SER A 95 -6.619 8.437 -13.395 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.376 4.574 -14.012 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.257 3.819 -14.565 1.00 0.00 C ATOM 1502 C LYS A 96 -2.926 4.389 -14.087 1.00 0.00 C ATOM 1503 O LYS A 96 -1.942 3.661 -13.949 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.313 3.832 -16.093 1.00 0.00 C ATOM 1505 CG LYS A 96 -5.253 2.790 -16.676 1.00 0.00 C ATOM 1506 CD LYS A 96 -6.065 3.354 -17.831 1.00 0.00 C ATOM 1507 CE LYS A 96 -7.307 4.077 -17.339 1.00 0.00 C ATOM 1508 NZ LYS A 96 -8.035 4.751 -18.451 1.00 0.00 N ATOM 0 H LYS A 96 -5.888 5.131 -14.696 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.336 2.790 -14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.627 4.821 -16.428 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.310 3.665 -16.486 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.677 1.931 -17.020 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.927 2.431 -15.898 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.448 4.042 -18.409 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.355 2.545 -18.502 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.971 3.365 -16.849 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.024 4.816 -16.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.876 5.233 -18.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.410 5.449 -18.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.328 4.043 -19.154 1.00 0.00 H new ATOM 1522 N GLU A 97 -2.899 5.694 -13.838 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.685 6.359 -13.378 1.00 0.00 C ATOM 1524 C GLU A 97 -1.355 5.961 -11.944 1.00 0.00 C ATOM 1525 O GLU A 97 -0.224 5.584 -11.640 1.00 0.00 O ATOM 1526 CB GLU A 97 -1.842 7.877 -13.475 1.00 0.00 C ATOM 1527 CG GLU A 97 -0.561 8.597 -13.863 1.00 0.00 C ATOM 1528 CD GLU A 97 -0.801 9.727 -14.844 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -1.253 10.806 -14.407 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -0.538 9.534 -16.050 1.00 0.00 O ATOM 0 H GLU A 97 -3.703 6.312 -13.947 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.863 6.044 -14.021 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.615 8.108 -14.208 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.188 8.260 -12.515 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.086 8.994 -12.966 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.135 7.882 -14.302 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.351 6.041 -11.065 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.162 5.683 -9.664 1.00 0.00 C ATOM 1539 C ASP A 98 -1.495 4.316 -9.545 1.00 0.00 C ATOM 1540 O ASP A 98 -0.386 4.195 -9.025 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.508 5.673 -8.935 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.311 6.934 -9.188 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.724 8.035 -9.122 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.526 6.821 -9.451 1.00 0.00 O ATOM 0 H ASP A 98 -3.295 6.350 -11.299 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.514 6.428 -9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.086 4.807 -9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.337 5.563 -7.864 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.183 3.292 -10.035 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.669 1.926 -9.997 1.00 0.00 C ATOM 1551 C ALA A 99 -0.239 1.846 -10.527 1.00 0.00 C ATOM 1552 O ALA A 99 0.576 1.073 -10.021 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.581 1.004 -10.790 1.00 0.00 C ATOM 0 H ALA A 99 -3.103 3.381 -10.466 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.651 1.604 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.189 -0.013 -10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.582 1.022 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.627 1.340 -11.826 1.00 0.00 H new ATOM 1559 N ALA A 100 0.061 2.644 -11.547 1.00 0.00 N ATOM 1560 CA ALA A 100 1.393 2.652 -12.141 1.00 0.00 C ATOM 1561 C ALA A 100 2.399 3.353 -11.233 1.00 0.00 C ATOM 1562 O ALA A 100 3.572 2.979 -11.185 1.00 0.00 O ATOM 1563 CB ALA A 100 1.356 3.323 -13.505 1.00 0.00 C ATOM 0 H ALA A 100 -0.598 3.292 -11.978 1.00 0.00 H new ATOM 0 HA ALA A 100 1.715 1.618 -12.263 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.356 3.323 -13.938 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.677 2.778 -14.160 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.008 4.350 -13.396 1.00 0.00 H new ATOM 1569 N GLN A 101 1.937 4.373 -10.520 1.00 0.00 N ATOM 1570 CA GLN A 101 2.798 5.132 -9.619 1.00 0.00 C ATOM 1571 C GLN A 101 3.050 4.373 -8.319 1.00 0.00 C ATOM 1572 O GLN A 101 4.173 4.344 -7.815 1.00 0.00 O ATOM 1573 CB GLN A 101 2.168 6.490 -9.311 1.00 0.00 C ATOM 1574 CG GLN A 101 3.120 7.464 -8.633 1.00 0.00 C ATOM 1575 CD GLN A 101 4.422 7.633 -9.392 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.426 7.989 -10.571 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.537 7.375 -8.717 1.00 0.00 N ATOM 0 H GLN A 101 0.969 4.695 -10.548 1.00 0.00 H new ATOM 0 HA GLN A 101 3.756 5.280 -10.118 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.809 6.933 -10.240 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.298 6.341 -8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.632 8.434 -8.535 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.335 7.113 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.486 7.083 -7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.444 7.469 -9.175 1.00 0.00 H new ATOM 1586 N PHE A 102 1.999 3.768 -7.777 1.00 0.00 N ATOM 1587 CA PHE A 102 2.108 3.018 -6.530 1.00 0.00 C ATOM 1588 C PHE A 102 3.191 1.948 -6.620 1.00 0.00 C ATOM 1589 O PHE A 102 4.063 1.862 -5.755 1.00 0.00 O ATOM 1590 CB PHE A 102 0.764 2.382 -6.173 1.00 0.00 C ATOM 1591 CG PHE A 102 0.639 2.035 -4.718 1.00 0.00 C ATOM 1592 CD1 PHE A 102 0.899 2.991 -3.750 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.263 0.762 -4.315 1.00 0.00 C ATOM 1594 CE1 PHE A 102 0.786 2.687 -2.409 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.146 0.453 -2.975 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.409 1.416 -2.019 1.00 0.00 C ATOM 0 H PHE A 102 1.062 3.782 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 102 2.390 3.717 -5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.038 3.067 -6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.628 1.479 -6.768 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.194 3.986 -4.049 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.060 0.005 -5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.992 3.442 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.151 -0.541 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.320 1.176 -0.970 1.00 0.00 H new ATOM 1606 N ALA A 103 3.136 1.139 -7.671 1.00 0.00 N ATOM 1607 CA ALA A 103 4.119 0.081 -7.867 1.00 0.00 C ATOM 1608 C ALA A 103 5.492 0.663 -8.174 1.00 0.00 C ATOM 1609 O ALA A 103 6.519 0.068 -7.849 1.00 0.00 O ATOM 1610 CB ALA A 103 3.680 -0.843 -8.990 1.00 0.00 C ATOM 0 H ALA A 103 2.423 1.195 -8.399 1.00 0.00 H new ATOM 0 HA ALA A 103 4.190 -0.492 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.423 -1.629 -9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.719 -1.292 -8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.582 -0.272 -9.913 1.00 0.00 H new ATOM 1616 N ALA A 104 5.500 1.831 -8.807 1.00 0.00 N ATOM 1617 CA ALA A 104 6.744 2.504 -9.167 1.00 0.00 C ATOM 1618 C ALA A 104 7.711 2.546 -7.989 1.00 0.00 C ATOM 1619 O ALA A 104 8.783 1.937 -8.023 1.00 0.00 O ATOM 1620 CB ALA A 104 6.454 3.914 -9.661 1.00 0.00 C ATOM 0 H ALA A 104 4.656 2.333 -9.082 1.00 0.00 H new ATOM 0 HA ALA A 104 7.215 1.935 -9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.390 4.406 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.807 3.867 -10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.957 4.480 -8.873 1.00 0.00 H new ATOM 1626 N GLY A 105 7.320 3.263 -6.943 1.00 0.00 N ATOM 1627 CA GLY A 105 8.159 3.368 -5.765 1.00 0.00 C ATOM 1628 C GLY A 105 8.322 2.041 -5.068 1.00 0.00 C ATOM 1629 O GLY A 105 9.440 1.619 -4.768 1.00 0.00 O ATOM 0 H GLY A 105 6.438 3.773 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.139 3.750 -6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.724 4.090 -5.073 1.00 0.00 H new ATOM 1633 N MET A 106 7.202 1.377 -4.812 1.00 0.00 N ATOM 1634 CA MET A 106 7.217 0.083 -4.148 1.00 0.00 C ATOM 1635 C MET A 106 8.228 -0.842 -4.808 1.00 0.00 C ATOM 1636 O MET A 106 9.181 -1.291 -4.174 1.00 0.00 O ATOM 1637 CB MET A 106 5.832 -0.550 -4.195 1.00 0.00 C ATOM 1638 CG MET A 106 5.797 -1.945 -3.608 1.00 0.00 C ATOM 1639 SD MET A 106 5.649 -1.929 -1.815 1.00 0.00 S ATOM 1640 CE MET A 106 5.848 -3.670 -1.485 1.00 0.00 C ATOM 0 H MET A 106 6.271 1.715 -5.055 1.00 0.00 H new ATOM 0 HA MET A 106 7.505 0.234 -3.108 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.131 0.084 -3.652 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.492 -0.589 -5.230 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.958 -2.495 -4.034 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.705 -2.478 -3.891 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.964 -4.046 -0.970 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.976 -4.206 -2.425 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.726 -3.823 -0.857 1.00 0.00 H new ATOM 1650 N ALA A 107 8.013 -1.117 -6.090 1.00 0.00 N ATOM 1651 CA ALA A 107 8.909 -1.979 -6.852 1.00 0.00 C ATOM 1652 C ALA A 107 10.361 -1.631 -6.549 1.00 0.00 C ATOM 1653 O ALA A 107 11.220 -2.508 -6.471 1.00 0.00 O ATOM 1654 CB ALA A 107 8.629 -1.852 -8.342 1.00 0.00 C ATOM 0 H ALA A 107 7.224 -0.754 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 107 8.732 -3.013 -6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.306 -2.502 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.599 -2.144 -8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.781 -0.819 -8.654 1.00 0.00 H new ATOM 1660 N SER A 108 10.618 -0.339 -6.356 1.00 0.00 N ATOM 1661 CA SER A 108 11.957 0.133 -6.035 1.00 0.00 C ATOM 1662 C SER A 108 12.359 -0.342 -4.642 1.00 0.00 C ATOM 1663 O SER A 108 13.501 -0.742 -4.416 1.00 0.00 O ATOM 1664 CB SER A 108 12.017 1.661 -6.108 1.00 0.00 C ATOM 1665 OG SER A 108 13.149 2.092 -6.845 1.00 0.00 O ATOM 0 H SER A 108 9.915 0.397 -6.417 1.00 0.00 H new ATOM 0 HA SER A 108 12.655 -0.277 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.109 2.042 -6.575 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.056 2.075 -5.101 1.00 0.00 H new ATOM 0 HG SER A 108 13.164 3.071 -6.879 1.00 0.00 H new ATOM 1671 N ALA A 109 11.404 -0.309 -3.714 1.00 0.00 N ATOM 1672 CA ALA A 109 11.650 -0.750 -2.345 1.00 0.00 C ATOM 1673 C ALA A 109 12.033 -2.223 -2.317 1.00 0.00 C ATOM 1674 O ALA A 109 13.096 -2.589 -1.821 1.00 0.00 O ATOM 1675 CB ALA A 109 10.417 -0.511 -1.480 1.00 0.00 C ATOM 0 H ALA A 109 10.454 0.019 -3.887 1.00 0.00 H new ATOM 0 HA ALA A 109 12.479 -0.169 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.616 -0.845 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.178 0.553 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.574 -1.069 -1.886 1.00 0.00 H new ATOM 1681 N LEU A 110 11.157 -3.060 -2.860 1.00 0.00 N ATOM 1682 CA LEU A 110 11.393 -4.499 -2.905 1.00 0.00 C ATOM 1683 C LEU A 110 12.685 -4.822 -3.656 1.00 0.00 C ATOM 1684 O LEU A 110 13.253 -5.901 -3.496 1.00 0.00 O ATOM 1685 CB LEU A 110 10.210 -5.211 -3.572 1.00 0.00 C ATOM 1686 CG LEU A 110 8.824 -4.673 -3.199 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.772 -5.182 -4.174 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.462 -5.058 -1.770 1.00 0.00 C ATOM 0 H LEU A 110 10.274 -2.766 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 110 11.494 -4.855 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.329 -5.142 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.252 -6.269 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 110 8.853 -3.585 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.795 -4.789 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.020 -4.850 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.747 -6.271 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.475 -4.666 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.454 -6.144 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.198 -4.640 -1.083 1.00 0.00 H new ATOM 1700 N GLU A 111 13.140 -3.882 -4.479 1.00 0.00 N ATOM 1701 CA GLU A 111 14.359 -4.068 -5.260 1.00 0.00 C ATOM 1702 C GLU A 111 15.580 -3.523 -4.532 1.00 0.00 C ATOM 1703 O GLU A 111 16.708 -3.947 -4.784 1.00 0.00 O ATOM 1704 CB GLU A 111 14.217 -3.381 -6.611 1.00 0.00 C ATOM 1705 CG GLU A 111 13.903 -4.350 -7.726 1.00 0.00 C ATOM 1706 CD GLU A 111 13.944 -3.705 -9.097 1.00 0.00 C ATOM 1707 OE1 GLU A 111 13.603 -2.507 -9.201 1.00 0.00 O ATOM 1708 OE2 GLU A 111 14.317 -4.396 -10.068 1.00 0.00 O ATOM 0 H GLU A 111 12.682 -2.982 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 111 14.504 -5.139 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.427 -2.632 -6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.141 -2.852 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.616 -5.174 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.914 -4.778 -7.561 1.00 0.00 H new ATOM 1715 N ALA A 112 15.344 -2.591 -3.625 1.00 0.00 N ATOM 1716 CA ALA A 112 16.421 -1.992 -2.850 1.00 0.00 C ATOM 1717 C ALA A 112 16.505 -2.641 -1.479 1.00 0.00 C ATOM 1718 O ALA A 112 17.330 -2.264 -0.647 1.00 0.00 O ATOM 1719 CB ALA A 112 16.210 -0.492 -2.712 1.00 0.00 C ATOM 0 H ALA A 112 14.415 -2.231 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 112 17.361 -2.160 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 112 17.025 -0.062 -2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.190 -0.035 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.263 -0.303 -2.206 1.00 0.00 H new ATOM 1725 N LEU A 113 15.634 -3.617 -1.250 1.00 0.00 N ATOM 1726 CA LEU A 113 15.592 -4.320 0.013 1.00 0.00 C ATOM 1727 C LEU A 113 16.003 -5.777 -0.177 1.00 0.00 C ATOM 1728 O LEU A 113 16.564 -6.398 0.726 1.00 0.00 O ATOM 1729 CB LEU A 113 14.180 -4.216 0.590 1.00 0.00 C ATOM 1730 CG LEU A 113 14.065 -3.480 1.931 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.429 -4.406 3.081 1.00 0.00 C ATOM 1732 CD2 LEU A 113 14.952 -2.241 1.945 1.00 0.00 C ATOM 0 H LEU A 113 14.946 -3.936 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 113 16.296 -3.869 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.546 -3.710 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.782 -5.223 0.713 1.00 0.00 H new ATOM 0 HG LEU A 113 13.030 -3.162 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.342 -3.867 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.753 -5.261 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.454 -4.755 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.855 -1.735 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.991 -2.535 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.646 -1.566 1.146 1.00 0.00 H new ATOM 1744 N GLU A 114 15.732 -6.312 -1.366 1.00 0.00 N ATOM 1745 CA GLU A 114 16.082 -7.690 -1.685 1.00 0.00 C ATOM 1746 C GLU A 114 17.379 -7.747 -2.488 1.00 0.00 C ATOM 1747 O GLU A 114 18.135 -8.714 -2.395 1.00 0.00 O ATOM 1748 CB GLU A 114 14.953 -8.358 -2.473 1.00 0.00 C ATOM 1749 CG GLU A 114 13.623 -8.376 -1.737 1.00 0.00 C ATOM 1750 CD GLU A 114 12.989 -9.753 -1.715 1.00 0.00 C ATOM 1751 OE1 GLU A 114 13.125 -10.486 -2.716 1.00 0.00 O ATOM 1752 OE2 GLU A 114 12.354 -10.098 -0.695 1.00 0.00 O ATOM 0 H GLU A 114 15.270 -5.809 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 114 16.228 -8.228 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.826 -7.837 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.242 -9.382 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.773 -8.033 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 114 12.939 -7.672 -2.212 1.00 0.00 H new ATOM 1759 N GLY A 115 17.631 -6.704 -3.274 1.00 0.00 N ATOM 1760 CA GLY A 115 18.838 -6.659 -4.079 1.00 0.00 C ATOM 1761 C GLY A 115 18.632 -5.931 -5.394 1.00 0.00 C ATOM 1762 O GLY A 115 17.589 -6.161 -6.042 1.00 0.00 O ATOM 1763 OXT GLY A 115 19.513 -5.133 -5.774 1.00 0.00 O ATOM 0 H GLY A 115 17.022 -5.891 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 115 19.629 -6.166 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 115 19.176 -7.676 -4.279 1.00 0.00 H new