USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 764 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 64 HIS :FLIP no HD1:sc= -3.13! C(o=-6.1!,f=-3.1!) USER MOD Set 3.1: A 43 MET CE :methyl -164:sc=-0.00447 (180deg=-0.171) USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.016 (180deg=-0.188) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.8) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -119:sc= -0.253 USER MOD Single : A 25 THR OG1 : rot -92:sc= 0.928 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.715 K(o=-0.71,f=-3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.24) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0833) USER MOD Single : A 45 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.7!) USER MOD Single : A 46 MET CE :methyl -138:sc= -0.125 (180deg=-1.16) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.05 (180deg=-0.315) USER MOD Single : A 53 LYS NZ :NH3+ -118:sc= -1.16! (180deg=-2.76!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.076) USER MOD Single : A 59 THR OG1 : rot -168:sc= 0.168 USER MOD Single : A 62 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD Single : A 65 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 66 GLN : amide:sc= -0.0604 K(o=-0.06,f=-0.77) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.1! C(o=-3.1!,f=-5.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 81 GLN : amide:sc= -1.87 X(o=-1.9,f=-1.5!) USER MOD Single : A 83 GLN : amide:sc= -1.86 K(o=-1.9,f=-8.8!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.6) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 36:sc= 0.884 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 7:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.932 -41.592 6.753 1.00 0.00 N ATOM 2 CA GLY A 1 16.184 -41.189 8.124 1.00 0.00 C ATOM 3 C GLY A 1 15.899 -39.719 8.359 1.00 0.00 C ATOM 4 O GLY A 1 16.749 -38.988 8.867 1.00 0.00 O ATOM 0 H1 GLY A 1 16.142 -42.605 6.645 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.934 -41.418 6.518 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.539 -41.042 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.567 -41.787 8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.224 -41.399 8.376 1.00 0.00 H new ATOM 8 N SER A 2 14.699 -39.284 7.986 1.00 0.00 N ATOM 9 CA SER A 2 14.306 -37.890 8.154 1.00 0.00 C ATOM 10 C SER A 2 15.231 -36.966 7.368 1.00 0.00 C ATOM 11 O SER A 2 15.656 -35.925 7.868 1.00 0.00 O ATOM 12 CB SER A 2 14.322 -37.509 9.635 1.00 0.00 C ATOM 13 OG SER A 2 13.249 -38.120 10.331 1.00 0.00 O ATOM 0 H SER A 2 13.983 -39.877 7.566 1.00 0.00 H new ATOM 0 HA SER A 2 13.293 -37.774 7.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.269 -37.813 10.082 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.255 -36.426 9.736 1.00 0.00 H new ATOM 0 HG SER A 2 13.283 -37.862 11.276 1.00 0.00 H new ATOM 19 N SER A 3 15.540 -37.356 6.136 1.00 0.00 N ATOM 20 CA SER A 3 16.419 -36.566 5.281 1.00 0.00 C ATOM 21 C SER A 3 15.616 -35.571 4.449 1.00 0.00 C ATOM 22 O SER A 3 14.390 -35.651 4.376 1.00 0.00 O ATOM 23 CB SER A 3 17.229 -37.481 4.361 1.00 0.00 C ATOM 24 OG SER A 3 16.423 -37.994 3.314 1.00 0.00 O ATOM 0 H SER A 3 15.195 -38.215 5.707 1.00 0.00 H new ATOM 0 HA SER A 3 17.103 -36.009 5.921 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.069 -36.928 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.648 -38.305 4.939 1.00 0.00 H new ATOM 0 HG SER A 3 16.964 -38.574 2.739 1.00 0.00 H new ATOM 30 N GLY A 4 16.317 -34.631 3.822 1.00 0.00 N ATOM 31 CA GLY A 4 15.654 -33.633 3.003 1.00 0.00 C ATOM 32 C GLY A 4 15.580 -34.036 1.544 1.00 0.00 C ATOM 33 O GLY A 4 16.380 -34.846 1.076 1.00 0.00 O ATOM 0 H GLY A 4 17.332 -34.543 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.646 -33.468 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.186 -32.686 3.088 1.00 0.00 H new ATOM 37 N SER A 5 14.616 -33.472 0.824 1.00 0.00 N ATOM 38 CA SER A 5 14.436 -33.782 -0.589 1.00 0.00 C ATOM 39 C SER A 5 15.683 -33.416 -1.388 1.00 0.00 C ATOM 40 O SER A 5 16.155 -34.195 -2.216 1.00 0.00 O ATOM 41 CB SER A 5 13.222 -33.037 -1.147 1.00 0.00 C ATOM 42 OG SER A 5 12.021 -33.513 -0.566 1.00 0.00 O ATOM 0 H SER A 5 13.947 -32.798 1.196 1.00 0.00 H new ATOM 0 HA SER A 5 14.268 -34.855 -0.681 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.326 -31.969 -0.953 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.181 -33.162 -2.229 1.00 0.00 H new ATOM 0 HG SER A 5 11.260 -33.020 -0.938 1.00 0.00 H new ATOM 48 N SER A 6 16.212 -32.223 -1.134 1.00 0.00 N ATOM 49 CA SER A 6 17.402 -31.750 -1.831 1.00 0.00 C ATOM 50 C SER A 6 17.882 -30.424 -1.248 1.00 0.00 C ATOM 51 O SER A 6 17.123 -29.461 -1.160 1.00 0.00 O ATOM 52 CB SER A 6 17.113 -31.588 -3.325 1.00 0.00 C ATOM 53 OG SER A 6 18.314 -31.470 -4.067 1.00 0.00 O ATOM 0 H SER A 6 15.835 -31.566 -0.450 1.00 0.00 H new ATOM 0 HA SER A 6 18.190 -32.492 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.543 -32.445 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.495 -30.705 -3.485 1.00 0.00 H new ATOM 0 HG SER A 6 18.102 -31.369 -5.019 1.00 0.00 H new ATOM 59 N GLY A 7 19.151 -30.384 -0.851 1.00 0.00 N ATOM 60 CA GLY A 7 19.712 -29.174 -0.282 1.00 0.00 C ATOM 61 C GLY A 7 19.995 -28.116 -1.330 1.00 0.00 C ATOM 62 O GLY A 7 21.148 -27.879 -1.689 1.00 0.00 O ATOM 0 H GLY A 7 19.800 -31.169 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.022 -28.771 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.636 -29.418 0.242 1.00 0.00 H new ATOM 66 N LYS A 8 18.939 -27.479 -1.825 1.00 0.00 N ATOM 67 CA LYS A 8 19.077 -26.441 -2.839 1.00 0.00 C ATOM 68 C LYS A 8 18.215 -25.229 -2.500 1.00 0.00 C ATOM 69 O LYS A 8 18.585 -24.091 -2.788 1.00 0.00 O ATOM 70 CB LYS A 8 18.688 -26.988 -4.214 1.00 0.00 C ATOM 71 CG LYS A 8 17.260 -27.498 -4.284 1.00 0.00 C ATOM 72 CD LYS A 8 16.959 -28.132 -5.632 1.00 0.00 C ATOM 73 CE LYS A 8 16.471 -27.101 -6.637 1.00 0.00 C ATOM 74 NZ LYS A 8 15.095 -26.627 -6.323 1.00 0.00 N ATOM 0 H LYS A 8 17.977 -27.664 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 8 20.121 -26.127 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.822 -26.203 -4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.368 -27.798 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.095 -28.229 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.569 -26.674 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.856 -28.618 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.203 -28.908 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.154 -26.252 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.486 -27.534 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.676 -26.191 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.510 -27.433 -6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.136 -25.925 -5.557 1.00 0.00 H new ATOM 88 N SER A 9 17.064 -25.482 -1.884 1.00 0.00 N ATOM 89 CA SER A 9 16.148 -24.412 -1.507 1.00 0.00 C ATOM 90 C SER A 9 16.763 -23.524 -0.430 1.00 0.00 C ATOM 91 O SER A 9 16.478 -22.328 -0.358 1.00 0.00 O ATOM 92 CB SER A 9 14.825 -24.997 -1.007 1.00 0.00 C ATOM 93 OG SER A 9 13.992 -23.985 -0.468 1.00 0.00 O ATOM 0 H SER A 9 16.744 -26.418 -1.636 1.00 0.00 H new ATOM 0 HA SER A 9 15.957 -23.803 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.311 -25.496 -1.828 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.022 -25.753 -0.247 1.00 0.00 H new ATOM 0 HG SER A 9 13.153 -24.384 -0.157 1.00 0.00 H new ATOM 99 N ILE A 10 17.610 -24.118 0.405 1.00 0.00 N ATOM 100 CA ILE A 10 18.267 -23.381 1.478 1.00 0.00 C ATOM 101 C ILE A 10 19.525 -22.682 0.974 1.00 0.00 C ATOM 102 O ILE A 10 20.396 -22.307 1.759 1.00 0.00 O ATOM 103 CB ILE A 10 18.643 -24.308 2.649 1.00 0.00 C ATOM 104 CG1 ILE A 10 19.742 -25.283 2.223 1.00 0.00 C ATOM 105 CG2 ILE A 10 17.417 -25.064 3.140 1.00 0.00 C ATOM 106 CD1 ILE A 10 19.218 -26.638 1.801 1.00 0.00 C ATOM 0 H ILE A 10 17.857 -25.107 0.359 1.00 0.00 H new ATOM 0 HA ILE A 10 17.555 -22.634 1.830 1.00 0.00 H new ATOM 0 HB ILE A 10 19.022 -23.698 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 10 20.304 -24.846 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.441 -25.414 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 10 17.698 -25.715 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.662 -24.353 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 10 17.011 -25.666 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 10 20.053 -27.277 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 10 18.681 -27.095 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 10 18.542 -26.519 0.954 1.00 0.00 H new ATOM 118 N ARG A 11 19.612 -22.508 -0.341 1.00 0.00 N ATOM 119 CA ARG A 11 20.763 -21.852 -0.950 1.00 0.00 C ATOM 120 C ARG A 11 20.520 -20.353 -1.098 1.00 0.00 C ATOM 121 O ARG A 11 19.396 -19.876 -0.934 1.00 0.00 O ATOM 122 CB ARG A 11 21.063 -22.468 -2.318 1.00 0.00 C ATOM 123 CG ARG A 11 21.678 -23.856 -2.239 1.00 0.00 C ATOM 124 CD ARG A 11 22.244 -24.292 -3.581 1.00 0.00 C ATOM 125 NE ARG A 11 23.292 -25.297 -3.433 1.00 0.00 N ATOM 126 CZ ARG A 11 23.869 -25.914 -4.458 1.00 0.00 C ATOM 127 NH1 ARG A 11 23.502 -25.630 -5.700 1.00 0.00 N ATOM 128 NH2 ARG A 11 24.817 -26.818 -4.242 1.00 0.00 N ATOM 0 H ARG A 11 18.900 -22.812 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 11 21.622 -22.000 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 11 20.139 -22.521 -2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.740 -21.810 -2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.470 -23.862 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 11 20.924 -24.571 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 11 21.441 -24.694 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 11 22.646 -23.424 -4.104 1.00 0.00 H new ATOM 0 HE ARG A 11 23.598 -25.539 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.774 -24.936 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 11 23.947 -26.106 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.103 -27.039 -3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 11 25.259 -27.291 -5.030 1.00 0.00 H new ATOM 142 N LEU A 12 21.580 -19.615 -1.407 1.00 0.00 N ATOM 143 CA LEU A 12 21.482 -18.169 -1.577 1.00 0.00 C ATOM 144 C LEU A 12 20.562 -17.818 -2.741 1.00 0.00 C ATOM 145 O LEU A 12 20.740 -18.309 -3.856 1.00 0.00 O ATOM 146 CB LEU A 12 22.870 -17.568 -1.810 1.00 0.00 C ATOM 147 CG LEU A 12 23.648 -17.170 -0.555 1.00 0.00 C ATOM 148 CD1 LEU A 12 24.366 -18.375 0.032 1.00 0.00 C ATOM 149 CD2 LEU A 12 24.638 -16.059 -0.872 1.00 0.00 C ATOM 0 H LEU A 12 22.517 -19.993 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 12 21.059 -17.749 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.467 -18.288 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.761 -16.686 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 12 22.940 -16.798 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.914 -18.073 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.636 -19.140 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 12 25.063 -18.777 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.183 -15.788 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 12 25.341 -16.404 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 12 24.100 -15.188 -1.246 1.00 0.00 H new ATOM 161 N ALA A 13 19.579 -16.964 -2.475 1.00 0.00 N ATOM 162 CA ALA A 13 18.633 -16.544 -3.502 1.00 0.00 C ATOM 163 C ALA A 13 18.072 -15.159 -3.198 1.00 0.00 C ATOM 164 O ALA A 13 17.773 -14.838 -2.047 1.00 0.00 O ATOM 165 CB ALA A 13 17.505 -17.557 -3.627 1.00 0.00 C ATOM 0 H ALA A 13 19.417 -16.549 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 13 19.165 -16.491 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 13 16.806 -17.230 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.917 -18.529 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 13 16.982 -17.639 -2.674 1.00 0.00 H new ATOM 171 N LYS A 14 17.932 -14.342 -4.235 1.00 0.00 N ATOM 172 CA LYS A 14 17.406 -12.991 -4.080 1.00 0.00 C ATOM 173 C LYS A 14 17.810 -12.401 -2.733 1.00 0.00 C ATOM 174 O LYS A 14 16.971 -11.887 -1.994 1.00 0.00 O ATOM 175 CB LYS A 14 15.881 -12.997 -4.210 1.00 0.00 C ATOM 176 CG LYS A 14 15.179 -13.750 -3.093 1.00 0.00 C ATOM 177 CD LYS A 14 13.768 -14.151 -3.491 1.00 0.00 C ATOM 178 CE LYS A 14 13.764 -15.425 -4.322 1.00 0.00 C ATOM 179 NZ LYS A 14 13.784 -16.645 -3.467 1.00 0.00 N ATOM 0 H LYS A 14 18.176 -14.592 -5.193 1.00 0.00 H new ATOM 0 HA LYS A 14 17.829 -12.370 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.522 -11.968 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.608 -13.444 -5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.753 -14.641 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.143 -13.127 -2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.164 -14.298 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.306 -13.344 -4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.879 -15.441 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.631 -15.430 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.781 -17.492 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.642 -16.643 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.944 -16.653 -2.854 1.00 0.00 H new ATOM 193 N GLU A 15 19.100 -12.477 -2.421 1.00 0.00 N ATOM 194 CA GLU A 15 19.614 -11.950 -1.163 1.00 0.00 C ATOM 195 C GLU A 15 19.589 -10.424 -1.162 1.00 0.00 C ATOM 196 O GLU A 15 19.309 -9.797 -0.140 1.00 0.00 O ATOM 197 CB GLU A 15 21.040 -12.449 -0.919 1.00 0.00 C ATOM 198 CG GLU A 15 22.020 -12.044 -2.007 1.00 0.00 C ATOM 199 CD GLU A 15 22.658 -10.693 -1.745 1.00 0.00 C ATOM 200 OE1 GLU A 15 22.793 -10.320 -0.561 1.00 0.00 O ATOM 201 OE2 GLU A 15 23.021 -10.009 -2.725 1.00 0.00 O ATOM 0 H GLU A 15 19.808 -12.898 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 15 18.970 -12.307 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 15 21.392 -12.063 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 15 21.027 -13.536 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 15 22.801 -12.801 -2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 15 21.502 -12.017 -2.966 1.00 0.00 H new ATOM 208 N LYS A 16 19.886 -9.833 -2.314 1.00 0.00 N ATOM 209 CA LYS A 16 19.899 -8.381 -2.449 1.00 0.00 C ATOM 210 C LYS A 16 18.544 -7.789 -2.075 1.00 0.00 C ATOM 211 O LYS A 16 18.455 -6.633 -1.663 1.00 0.00 O ATOM 212 CB LYS A 16 20.263 -7.985 -3.881 1.00 0.00 C ATOM 213 CG LYS A 16 19.411 -8.667 -4.937 1.00 0.00 C ATOM 214 CD LYS A 16 19.924 -8.381 -6.338 1.00 0.00 C ATOM 215 CE LYS A 16 19.320 -7.104 -6.902 1.00 0.00 C ATOM 216 NZ LYS A 16 20.027 -6.652 -8.133 1.00 0.00 N ATOM 0 H LYS A 16 20.121 -10.338 -3.169 1.00 0.00 H new ATOM 0 HA LYS A 16 20.651 -7.984 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.162 -6.905 -3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.311 -8.226 -4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.407 -9.743 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.380 -8.326 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.010 -8.293 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.684 -9.219 -6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.267 -7.270 -7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.364 -6.318 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.585 -5.779 -8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.027 -6.469 -7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.963 -7.392 -8.861 1.00 0.00 H new ATOM 230 N GLU A 17 17.492 -8.589 -2.221 1.00 0.00 N ATOM 231 CA GLU A 17 16.143 -8.142 -1.897 1.00 0.00 C ATOM 232 C GLU A 17 16.149 -7.236 -0.669 1.00 0.00 C ATOM 233 O GLU A 17 15.368 -6.289 -0.579 1.00 0.00 O ATOM 234 CB GLU A 17 15.228 -9.344 -1.653 1.00 0.00 C ATOM 235 CG GLU A 17 14.633 -9.925 -2.925 1.00 0.00 C ATOM 236 CD GLU A 17 13.534 -9.056 -3.505 1.00 0.00 C ATOM 237 OE1 GLU A 17 13.566 -7.829 -3.277 1.00 0.00 O ATOM 238 OE2 GLU A 17 12.643 -9.604 -4.186 1.00 0.00 O ATOM 0 H GLU A 17 17.548 -9.549 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 17 15.764 -7.572 -2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.793 -10.121 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.419 -9.044 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.422 -10.050 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.234 -10.917 -2.715 1.00 0.00 H new ATOM 245 N SER A 18 17.036 -7.535 0.274 1.00 0.00 N ATOM 246 CA SER A 18 17.142 -6.751 1.499 1.00 0.00 C ATOM 247 C SER A 18 16.946 -5.265 1.213 1.00 0.00 C ATOM 248 O SER A 18 16.241 -4.570 1.944 1.00 0.00 O ATOM 249 CB SER A 18 18.503 -6.978 2.159 1.00 0.00 C ATOM 250 OG SER A 18 18.604 -6.265 3.380 1.00 0.00 O ATOM 0 H SER A 18 17.692 -8.314 0.214 1.00 0.00 H new ATOM 0 HA SER A 18 16.356 -7.079 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 18 18.648 -8.042 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.296 -6.660 1.482 1.00 0.00 H new ATOM 0 HG SER A 18 19.483 -6.428 3.782 1.00 0.00 H new ATOM 256 N GLN A 19 17.574 -4.787 0.143 1.00 0.00 N ATOM 257 CA GLN A 19 17.469 -3.385 -0.240 1.00 0.00 C ATOM 258 C GLN A 19 16.008 -2.962 -0.366 1.00 0.00 C ATOM 259 O GLN A 19 15.610 -1.914 0.140 1.00 0.00 O ATOM 260 CB GLN A 19 18.198 -3.139 -1.562 1.00 0.00 C ATOM 261 CG GLN A 19 17.512 -3.771 -2.762 1.00 0.00 C ATOM 262 CD GLN A 19 18.423 -3.871 -3.970 1.00 0.00 C ATOM 263 OE1 GLN A 19 19.425 -4.586 -3.948 1.00 0.00 O ATOM 264 NE2 GLN A 19 18.079 -3.153 -5.033 1.00 0.00 N ATOM 0 H GLN A 19 18.160 -5.350 -0.473 1.00 0.00 H new ATOM 0 HA GLN A 19 17.936 -2.786 0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 19 18.282 -2.065 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 19 19.212 -3.530 -1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.162 -4.767 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.632 -3.184 -3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.240 -2.574 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 19 18.654 -3.181 -5.875 1.00 0.00 H new ATOM 273 N ALA A 20 15.216 -3.786 -1.044 1.00 0.00 N ATOM 274 CA ALA A 20 13.800 -3.499 -1.235 1.00 0.00 C ATOM 275 C ALA A 20 13.153 -3.036 0.066 1.00 0.00 C ATOM 276 O ALA A 20 12.659 -1.912 0.160 1.00 0.00 O ATOM 277 CB ALA A 20 13.081 -4.725 -1.777 1.00 0.00 C ATOM 0 H ALA A 20 15.531 -4.658 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 20 13.714 -2.690 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.024 -4.496 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.518 -5.010 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.185 -5.549 -1.071 1.00 0.00 H new ATOM 283 N ASP A 21 13.160 -3.909 1.068 1.00 0.00 N ATOM 284 CA ASP A 21 12.574 -3.589 2.364 1.00 0.00 C ATOM 285 C ASP A 21 13.359 -2.479 3.056 1.00 0.00 C ATOM 286 O ASP A 21 12.783 -1.493 3.517 1.00 0.00 O ATOM 287 CB ASP A 21 12.538 -4.834 3.252 1.00 0.00 C ATOM 288 CG ASP A 21 13.903 -5.476 3.406 1.00 0.00 C ATOM 289 OD1 ASP A 21 14.266 -6.312 2.553 1.00 0.00 O ATOM 290 OD2 ASP A 21 14.609 -5.140 4.380 1.00 0.00 O ATOM 0 H ASP A 21 13.565 -4.843 1.007 1.00 0.00 H new ATOM 0 HA ASP A 21 11.555 -3.240 2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.154 -4.564 4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.844 -5.560 2.827 1.00 0.00 H new ATOM 295 N TYR A 22 14.675 -2.647 3.126 1.00 0.00 N ATOM 296 CA TYR A 22 15.538 -1.660 3.765 1.00 0.00 C ATOM 297 C TYR A 22 15.106 -0.242 3.403 1.00 0.00 C ATOM 298 O TYR A 22 15.241 0.683 4.204 1.00 0.00 O ATOM 299 CB TYR A 22 16.994 -1.883 3.353 1.00 0.00 C ATOM 300 CG TYR A 22 17.970 -0.970 4.060 1.00 0.00 C ATOM 301 CD1 TYR A 22 18.023 -0.918 5.447 1.00 0.00 C ATOM 302 CD2 TYR A 22 18.840 -0.160 3.341 1.00 0.00 C ATOM 303 CE1 TYR A 22 18.912 -0.085 6.098 1.00 0.00 C ATOM 304 CE2 TYR A 22 19.734 0.675 3.982 1.00 0.00 C ATOM 305 CZ TYR A 22 19.766 0.710 5.361 1.00 0.00 C ATOM 306 OH TYR A 22 20.655 1.540 6.005 1.00 0.00 O ATOM 0 H TYR A 22 15.167 -3.457 2.748 1.00 0.00 H new ATOM 0 HA TYR A 22 15.450 -1.782 4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 22 17.266 -2.919 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 22 17.085 -1.735 2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.357 -1.540 6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 22 18.817 -0.184 2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 22 18.939 -0.056 7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 22 20.404 1.297 3.407 1.00 0.00 H new ATOM 0 HH TYR A 22 21.184 2.030 5.342 1.00 0.00 H new ATOM 316 N ILE A 23 14.586 -0.081 2.191 1.00 0.00 N ATOM 317 CA ILE A 23 14.132 1.223 1.723 1.00 0.00 C ATOM 318 C ILE A 23 12.724 1.527 2.223 1.00 0.00 C ATOM 319 O ILE A 23 12.413 2.663 2.581 1.00 0.00 O ATOM 320 CB ILE A 23 14.148 1.305 0.185 1.00 0.00 C ATOM 321 CG1 ILE A 23 15.565 1.082 -0.344 1.00 0.00 C ATOM 322 CG2 ILE A 23 13.609 2.651 -0.278 1.00 0.00 C ATOM 323 CD1 ILE A 23 15.604 0.494 -1.738 1.00 0.00 C ATOM 0 H ILE A 23 14.469 -0.836 1.516 1.00 0.00 H new ATOM 0 HA ILE A 23 14.825 1.962 2.126 1.00 0.00 H new ATOM 0 HB ILE A 23 13.504 0.521 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.098 2.033 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.098 0.418 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.626 2.695 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.585 2.773 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.230 3.450 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.641 0.363 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.100 -0.472 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.100 1.167 -2.431 1.00 0.00 H new ATOM 335 N SER A 24 11.876 0.503 2.247 1.00 0.00 N ATOM 336 CA SER A 24 10.499 0.661 2.701 1.00 0.00 C ATOM 337 C SER A 24 10.454 1.001 4.188 1.00 0.00 C ATOM 338 O SER A 24 9.657 1.833 4.623 1.00 0.00 O ATOM 339 CB SER A 24 9.702 -0.617 2.434 1.00 0.00 C ATOM 340 OG SER A 24 9.390 -0.745 1.057 1.00 0.00 O ATOM 0 H SER A 24 12.118 -0.444 1.957 1.00 0.00 H new ATOM 0 HA SER A 24 10.050 1.483 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.277 -1.483 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.782 -0.605 3.019 1.00 0.00 H new ATOM 0 HG SER A 24 8.417 -0.761 0.942 1.00 0.00 H new ATOM 346 N THR A 25 11.314 0.350 4.964 1.00 0.00 N ATOM 347 CA THR A 25 11.373 0.581 6.402 1.00 0.00 C ATOM 348 C THR A 25 11.069 2.036 6.738 1.00 0.00 C ATOM 349 O THR A 25 10.370 2.326 7.709 1.00 0.00 O ATOM 350 CB THR A 25 12.754 0.211 6.975 1.00 0.00 C ATOM 351 OG1 THR A 25 13.754 1.089 6.446 1.00 0.00 O ATOM 352 CG2 THR A 25 13.110 -1.230 6.642 1.00 0.00 C ATOM 0 H THR A 25 11.980 -0.342 4.621 1.00 0.00 H new ATOM 0 HA THR A 25 10.617 -0.059 6.856 1.00 0.00 H new ATOM 0 HB THR A 25 12.714 0.317 8.059 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.146 0.691 5.640 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.089 -1.468 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.362 -1.898 7.070 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.134 -1.358 5.560 1.00 0.00 H new ATOM 360 N TYR A 26 11.597 2.948 5.929 1.00 0.00 N ATOM 361 CA TYR A 26 11.383 4.374 6.142 1.00 0.00 C ATOM 362 C TYR A 26 10.828 5.035 4.884 1.00 0.00 C ATOM 363 O TYR A 26 11.560 5.294 3.929 1.00 0.00 O ATOM 364 CB TYR A 26 12.692 5.052 6.552 1.00 0.00 C ATOM 365 CG TYR A 26 13.710 5.128 5.437 1.00 0.00 C ATOM 366 CD1 TYR A 26 14.284 3.977 4.913 1.00 0.00 C ATOM 367 CD2 TYR A 26 14.097 6.353 4.906 1.00 0.00 C ATOM 368 CE1 TYR A 26 15.215 4.042 3.895 1.00 0.00 C ATOM 369 CE2 TYR A 26 15.026 6.428 3.887 1.00 0.00 C ATOM 370 CZ TYR A 26 15.582 5.270 3.385 1.00 0.00 C ATOM 371 OH TYR A 26 16.509 5.339 2.369 1.00 0.00 O ATOM 0 H TYR A 26 12.176 2.725 5.120 1.00 0.00 H new ATOM 0 HA TYR A 26 10.654 4.490 6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.474 6.061 6.903 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.125 4.509 7.392 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.997 3.014 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 26 13.664 7.262 5.297 1.00 0.00 H new ATOM 0 HE1 TYR A 26 15.653 3.137 3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 26 15.315 7.388 3.486 1.00 0.00 H new ATOM 0 HH TYR A 26 16.656 6.276 2.123 1.00 0.00 H new ATOM 381 N VAL A 27 9.527 5.308 4.893 1.00 0.00 N ATOM 382 CA VAL A 27 8.871 5.941 3.754 1.00 0.00 C ATOM 383 C VAL A 27 7.626 6.705 4.192 1.00 0.00 C ATOM 384 O VAL A 27 6.983 6.349 5.179 1.00 0.00 O ATOM 385 CB VAL A 27 8.475 4.904 2.687 1.00 0.00 C ATOM 386 CG1 VAL A 27 7.326 4.039 3.183 1.00 0.00 C ATOM 387 CG2 VAL A 27 8.108 5.596 1.383 1.00 0.00 C ATOM 0 H VAL A 27 8.907 5.101 5.676 1.00 0.00 H new ATOM 0 HA VAL A 27 9.589 6.639 3.323 1.00 0.00 H new ATOM 0 HB VAL A 27 9.331 4.256 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.060 3.312 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.630 3.515 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.464 4.669 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.831 4.848 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.267 6.269 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.963 6.167 1.021 1.00 0.00 H new ATOM 397 N GLU A 28 7.292 7.756 3.450 1.00 0.00 N ATOM 398 CA GLU A 28 6.124 8.570 3.763 1.00 0.00 C ATOM 399 C GLU A 28 5.221 8.718 2.541 1.00 0.00 C ATOM 400 O GLU A 28 5.681 9.073 1.456 1.00 0.00 O ATOM 401 CB GLU A 28 6.555 9.951 4.262 1.00 0.00 C ATOM 402 CG GLU A 28 5.425 10.754 4.883 1.00 0.00 C ATOM 403 CD GLU A 28 4.980 10.198 6.221 1.00 0.00 C ATOM 404 OE1 GLU A 28 5.829 9.628 6.938 1.00 0.00 O ATOM 405 OE2 GLU A 28 3.783 10.331 6.552 1.00 0.00 O ATOM 0 H GLU A 28 7.813 8.063 2.629 1.00 0.00 H new ATOM 0 HA GLU A 28 5.563 8.066 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.350 9.830 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.974 10.514 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.747 11.787 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.576 10.768 4.199 1.00 0.00 H new ATOM 412 N TRP A 29 3.935 8.443 2.727 1.00 0.00 N ATOM 413 CA TRP A 29 2.968 8.545 1.640 1.00 0.00 C ATOM 414 C TRP A 29 1.857 9.529 1.991 1.00 0.00 C ATOM 415 O TRP A 29 1.126 9.331 2.961 1.00 0.00 O ATOM 416 CB TRP A 29 2.371 7.171 1.331 1.00 0.00 C ATOM 417 CG TRP A 29 3.287 6.291 0.536 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.372 5.604 1.003 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.200 6.004 -0.863 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.964 4.908 -0.023 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.263 5.136 -1.178 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.325 6.394 -1.881 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.474 4.654 -2.467 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.536 5.915 -3.160 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.603 5.053 -3.444 1.00 0.00 C ATOM 0 H TRP A 29 3.538 8.148 3.619 1.00 0.00 H new ATOM 0 HA TRP A 29 3.489 8.914 0.756 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.122 6.672 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.439 7.303 0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.714 5.608 2.027 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.791 4.317 0.061 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.499 7.058 -1.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.296 3.989 -2.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.867 6.210 -3.954 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.741 4.696 -4.454 1.00 0.00 H new ATOM 436 N GLN A 30 1.736 10.587 1.196 1.00 0.00 N ATOM 437 CA GLN A 30 0.713 11.601 1.424 1.00 0.00 C ATOM 438 C GLN A 30 -0.170 11.770 0.192 1.00 0.00 C ATOM 439 O GLN A 30 0.248 11.478 -0.928 1.00 0.00 O ATOM 440 CB GLN A 30 1.362 12.937 1.789 1.00 0.00 C ATOM 441 CG GLN A 30 2.306 12.850 2.977 1.00 0.00 C ATOM 442 CD GLN A 30 2.720 14.214 3.494 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.926 14.924 4.112 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.969 14.588 3.244 1.00 0.00 N ATOM 0 H GLN A 30 2.333 10.764 0.389 1.00 0.00 H new ATOM 0 HA GLN A 30 0.088 11.271 2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.911 13.312 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.580 13.663 2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.823 12.292 3.780 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.195 12.289 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.593 13.968 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.304 15.495 3.568 1.00 0.00 H new ATOM 453 N TYR A 31 -1.392 12.243 0.408 1.00 0.00 N ATOM 454 CA TYR A 31 -2.336 12.449 -0.685 1.00 0.00 C ATOM 455 C TYR A 31 -2.829 13.893 -0.714 1.00 0.00 C ATOM 456 O TYR A 31 -3.013 14.519 0.330 1.00 0.00 O ATOM 457 CB TYR A 31 -3.524 11.495 -0.547 1.00 0.00 C ATOM 458 CG TYR A 31 -4.395 11.783 0.655 1.00 0.00 C ATOM 459 CD1 TYR A 31 -3.947 11.515 1.942 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.666 12.322 0.503 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.739 11.775 3.043 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.465 12.587 1.598 1.00 0.00 C ATOM 463 CZ TYR A 31 -5.997 12.312 2.866 1.00 0.00 C ATOM 464 OH TYR A 31 -6.791 12.573 3.960 1.00 0.00 O ATOM 0 H TYR A 31 -1.753 12.491 1.329 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.819 12.242 -1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.133 11.554 -1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.152 10.473 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.962 11.096 2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.036 12.538 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.375 11.559 4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.451 13.007 1.462 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.379 13.332 3.764 1.00 0.00 H new ATOM 474 N ILE A 32 -3.041 14.414 -1.918 1.00 0.00 N ATOM 475 CA ILE A 32 -3.514 15.782 -2.084 1.00 0.00 C ATOM 476 C ILE A 32 -5.021 15.819 -2.313 1.00 0.00 C ATOM 477 O ILE A 32 -5.508 15.423 -3.372 1.00 0.00 O ATOM 478 CB ILE A 32 -2.810 16.482 -3.262 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.395 16.903 -2.862 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.617 17.688 -3.721 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.344 15.859 -3.171 1.00 0.00 C ATOM 0 H ILE A 32 -2.893 13.909 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.276 16.312 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.739 15.779 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.140 17.828 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.377 17.120 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.107 18.172 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.607 17.363 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.717 18.394 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.635 16.225 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.575 14.940 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.334 15.659 -4.242 1.00 0.00 H new ATOM 493 N ASP A 33 -5.754 16.298 -1.315 1.00 0.00 N ATOM 494 CA ASP A 33 -7.207 16.390 -1.407 1.00 0.00 C ATOM 495 C ASP A 33 -7.622 17.546 -2.311 1.00 0.00 C ATOM 496 O ASP A 33 -6.802 18.390 -2.674 1.00 0.00 O ATOM 497 CB ASP A 33 -7.818 16.568 -0.017 1.00 0.00 C ATOM 498 CG ASP A 33 -9.334 16.577 -0.047 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.936 15.489 0.077 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.918 17.670 -0.195 1.00 0.00 O ATOM 0 H ASP A 33 -5.366 16.629 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.578 15.462 -1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.475 15.763 0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.461 17.502 0.417 1.00 0.00 H new ATOM 505 N LYS A 34 -8.900 17.579 -2.673 1.00 0.00 N ATOM 506 CA LYS A 34 -9.425 18.631 -3.535 1.00 0.00 C ATOM 507 C LYS A 34 -8.629 19.921 -3.365 1.00 0.00 C ATOM 508 O LYS A 34 -7.865 20.311 -4.247 1.00 0.00 O ATOM 509 CB LYS A 34 -10.902 18.885 -3.222 1.00 0.00 C ATOM 510 CG LYS A 34 -11.776 17.652 -3.370 1.00 0.00 C ATOM 511 CD LYS A 34 -13.213 18.023 -3.695 1.00 0.00 C ATOM 512 CE LYS A 34 -14.124 16.806 -3.665 1.00 0.00 C ATOM 513 NZ LYS A 34 -15.532 17.174 -3.351 1.00 0.00 N ATOM 0 H LYS A 34 -9.592 16.888 -2.382 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.331 18.300 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.989 19.262 -2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.276 19.666 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.377 17.014 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.749 17.073 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.570 18.763 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.256 18.487 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.087 16.301 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.759 16.098 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.121 16.317 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.571 17.633 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.889 17.830 -4.075 1.00 0.00 H new ATOM 527 N ASN A 35 -8.813 20.579 -2.224 1.00 0.00 N ATOM 528 CA ASN A 35 -8.111 21.825 -1.939 1.00 0.00 C ATOM 529 C ASN A 35 -7.315 21.716 -0.642 1.00 0.00 C ATOM 530 O ASN A 35 -6.940 22.726 -0.046 1.00 0.00 O ATOM 531 CB ASN A 35 -9.105 22.984 -1.845 1.00 0.00 C ATOM 532 CG ASN A 35 -8.444 24.331 -2.068 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.878 24.917 -1.145 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.514 24.829 -3.297 1.00 0.00 N ATOM 0 H ASN A 35 -9.442 20.270 -1.483 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.416 22.017 -2.756 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.895 22.843 -2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.580 22.973 -0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.088 25.732 -3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.993 24.309 -4.032 1.00 0.00 H new ATOM 541 N ILE A 36 -7.061 20.485 -0.212 1.00 0.00 N ATOM 542 CA ILE A 36 -6.308 20.244 1.013 1.00 0.00 C ATOM 543 C ILE A 36 -5.217 19.202 0.793 1.00 0.00 C ATOM 544 O ILE A 36 -5.324 18.352 -0.092 1.00 0.00 O ATOM 545 CB ILE A 36 -7.228 19.774 2.156 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.439 20.701 2.279 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.459 19.722 3.467 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.589 20.315 1.375 1.00 0.00 C ATOM 0 H ILE A 36 -7.365 19.639 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.849 21.192 1.293 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.585 18.770 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.784 20.700 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.131 21.721 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.122 19.388 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.626 19.026 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.077 20.715 3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.413 21.015 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.261 20.344 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.924 19.307 1.622 1.00 0.00 H new ATOM 560 N THR A 37 -4.167 19.273 1.604 1.00 0.00 N ATOM 561 CA THR A 37 -3.055 18.335 1.499 1.00 0.00 C ATOM 562 C THR A 37 -2.818 17.613 2.820 1.00 0.00 C ATOM 563 O THR A 37 -2.261 18.184 3.758 1.00 0.00 O ATOM 564 CB THR A 37 -1.757 19.049 1.076 1.00 0.00 C ATOM 565 OG1 THR A 37 -2.003 19.878 -0.066 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.667 18.039 0.750 1.00 0.00 C ATOM 0 H THR A 37 -4.063 19.970 2.341 1.00 0.00 H new ATOM 0 HA THR A 37 -3.326 17.607 0.735 1.00 0.00 H new ATOM 0 HB THR A 37 -1.421 19.668 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.173 20.329 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.240 18.566 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.462 17.429 1.629 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.998 17.398 -0.067 1.00 0.00 H new ATOM 574 N GLN A 38 -3.242 16.356 2.887 1.00 0.00 N ATOM 575 CA GLN A 38 -3.075 15.556 4.094 1.00 0.00 C ATOM 576 C GLN A 38 -2.240 14.311 3.812 1.00 0.00 C ATOM 577 O GLN A 38 -1.799 14.091 2.683 1.00 0.00 O ATOM 578 CB GLN A 38 -4.439 15.153 4.658 1.00 0.00 C ATOM 579 CG GLN A 38 -5.272 16.332 5.136 1.00 0.00 C ATOM 580 CD GLN A 38 -4.897 16.783 6.533 1.00 0.00 C ATOM 581 OE1 GLN A 38 -5.584 16.467 7.505 1.00 0.00 O ATOM 582 NE2 GLN A 38 -3.801 17.526 6.642 1.00 0.00 N ATOM 0 H GLN A 38 -3.704 15.869 2.119 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.550 16.163 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.995 14.613 3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.290 14.463 5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.147 17.165 4.444 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.327 16.058 5.118 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.261 17.764 5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.499 17.858 7.558 1.00 0.00 H new ATOM 591 N CYS A 39 -2.027 13.502 4.843 1.00 0.00 N ATOM 592 CA CYS A 39 -1.244 12.279 4.706 1.00 0.00 C ATOM 593 C CYS A 39 -2.011 11.078 5.250 1.00 0.00 C ATOM 594 O CYS A 39 -2.939 11.229 6.045 1.00 0.00 O ATOM 595 CB CYS A 39 0.092 12.419 5.437 1.00 0.00 C ATOM 596 SG CYS A 39 -0.063 12.596 7.230 1.00 0.00 S ATOM 0 H CYS A 39 -2.385 13.670 5.783 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.054 12.116 3.645 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.706 11.545 5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.621 13.286 5.041 1.00 0.00 H new ATOM 0 HG CYS A 39 1.119 12.705 7.759 1.00 0.00 H new ATOM 602 N PHE A 40 -1.619 9.885 4.814 1.00 0.00 N ATOM 603 CA PHE A 40 -2.272 8.658 5.255 1.00 0.00 C ATOM 604 C PHE A 40 -1.778 8.247 6.639 1.00 0.00 C ATOM 605 O PHE A 40 -0.773 8.761 7.130 1.00 0.00 O ATOM 606 CB PHE A 40 -2.015 7.530 4.254 1.00 0.00 C ATOM 607 CG PHE A 40 -2.575 7.803 2.887 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.910 7.556 2.609 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.767 8.306 1.880 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.427 7.806 1.352 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.279 8.558 0.621 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.611 8.308 0.358 1.00 0.00 C ATOM 0 H PHE A 40 -0.853 9.742 4.156 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.344 8.847 5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.941 7.366 4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.450 6.607 4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.553 7.164 3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.724 8.504 2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.469 7.609 1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.638 8.950 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.014 8.505 -0.624 1.00 0.00 H new ATOM 622 N ASP A 41 -2.493 7.316 7.263 1.00 0.00 N ATOM 623 CA ASP A 41 -2.128 6.835 8.590 1.00 0.00 C ATOM 624 C ASP A 41 -0.927 5.897 8.517 1.00 0.00 C ATOM 625 O ASP A 41 -0.373 5.663 7.443 1.00 0.00 O ATOM 626 CB ASP A 41 -3.313 6.117 9.239 1.00 0.00 C ATOM 627 CG ASP A 41 -4.190 7.057 10.042 1.00 0.00 C ATOM 628 OD1 ASP A 41 -3.638 7.900 10.779 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.429 6.949 9.933 1.00 0.00 O ATOM 0 H ASP A 41 -3.328 6.880 6.871 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.856 7.697 9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.912 5.638 8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.942 5.325 9.890 1.00 0.00 H new ATOM 634 N LYS A 42 -0.529 5.363 9.667 1.00 0.00 N ATOM 635 CA LYS A 42 0.606 4.451 9.735 1.00 0.00 C ATOM 636 C LYS A 42 0.244 3.088 9.153 1.00 0.00 C ATOM 637 O LYS A 42 1.111 2.357 8.674 1.00 0.00 O ATOM 638 CB LYS A 42 1.072 4.291 11.184 1.00 0.00 C ATOM 639 CG LYS A 42 0.105 3.503 12.050 1.00 0.00 C ATOM 640 CD LYS A 42 0.415 2.016 12.022 1.00 0.00 C ATOM 641 CE LYS A 42 -0.200 1.295 13.212 1.00 0.00 C ATOM 642 NZ LYS A 42 -1.667 1.101 13.046 1.00 0.00 N ATOM 0 H LYS A 42 -0.976 5.547 10.565 1.00 0.00 H new ATOM 0 HA LYS A 42 1.417 4.875 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.042 3.794 11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.216 5.279 11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.155 3.867 13.076 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.915 3.670 11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.036 1.582 11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.495 1.868 12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.282 0.326 13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.010 1.866 14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.073 0.747 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.111 2.008 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.842 0.412 12.287 1.00 0.00 H new ATOM 656 N MET A 43 -1.041 2.753 9.197 1.00 0.00 N ATOM 657 CA MET A 43 -1.517 1.479 8.671 1.00 0.00 C ATOM 658 C MET A 43 -1.655 1.535 7.152 1.00 0.00 C ATOM 659 O MET A 43 -1.343 0.569 6.454 1.00 0.00 O ATOM 660 CB MET A 43 -2.861 1.112 9.303 1.00 0.00 C ATOM 661 CG MET A 43 -3.943 2.155 9.080 1.00 0.00 C ATOM 662 SD MET A 43 -5.604 1.497 9.323 1.00 0.00 S ATOM 663 CE MET A 43 -5.813 0.543 7.821 1.00 0.00 C ATOM 0 H MET A 43 -1.771 3.346 9.591 1.00 0.00 H new ATOM 0 HA MET A 43 -0.783 0.713 8.924 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.197 0.159 8.894 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.722 0.968 10.374 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.784 2.990 9.763 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.858 2.550 8.068 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.869 0.311 7.681 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.453 1.121 6.970 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.244 -0.384 7.897 1.00 0.00 H new ATOM 673 N THR A 44 -2.123 2.672 6.646 1.00 0.00 N ATOM 674 CA THR A 44 -2.303 2.853 5.212 1.00 0.00 C ATOM 675 C THR A 44 -0.994 3.248 4.539 1.00 0.00 C ATOM 676 O THR A 44 -0.694 2.802 3.432 1.00 0.00 O ATOM 677 CB THR A 44 -3.367 3.925 4.910 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.628 3.533 5.463 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.509 4.139 3.411 1.00 0.00 C ATOM 0 H THR A 44 -2.384 3.481 7.209 1.00 0.00 H new ATOM 0 HA THR A 44 -2.639 1.896 4.813 1.00 0.00 H new ATOM 0 HB THR A 44 -3.047 4.862 5.366 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.299 4.221 5.268 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.266 4.900 3.222 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.555 4.466 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.808 3.204 2.937 1.00 0.00 H new ATOM 687 N ASN A 45 -0.217 4.089 5.214 1.00 0.00 N ATOM 688 CA ASN A 45 1.061 4.545 4.681 1.00 0.00 C ATOM 689 C ASN A 45 1.786 3.412 3.961 1.00 0.00 C ATOM 690 O ASN A 45 2.370 3.612 2.897 1.00 0.00 O ATOM 691 CB ASN A 45 1.940 5.095 5.806 1.00 0.00 C ATOM 692 CG ASN A 45 3.412 5.098 5.440 1.00 0.00 C ATOM 693 OD1 ASN A 45 4.063 4.053 5.429 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.944 6.277 5.139 1.00 0.00 N ATOM 0 H ASN A 45 -0.451 4.468 6.132 1.00 0.00 H new ATOM 0 HA ASN A 45 0.863 5.340 3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.626 6.111 6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.793 4.496 6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.930 6.342 4.886 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.367 7.118 5.161 1.00 0.00 H new ATOM 701 N MET A 46 1.743 2.221 4.550 1.00 0.00 N ATOM 702 CA MET A 46 2.393 1.055 3.965 1.00 0.00 C ATOM 703 C MET A 46 1.565 0.490 2.816 1.00 0.00 C ATOM 704 O MET A 46 2.103 0.110 1.776 1.00 0.00 O ATOM 705 CB MET A 46 2.613 -0.022 5.029 1.00 0.00 C ATOM 706 CG MET A 46 1.409 -0.927 5.235 1.00 0.00 C ATOM 707 SD MET A 46 1.632 -2.079 6.603 1.00 0.00 S ATOM 708 CE MET A 46 1.095 -1.074 7.984 1.00 0.00 C ATOM 0 H MET A 46 1.265 2.039 5.432 1.00 0.00 H new ATOM 0 HA MET A 46 3.360 1.369 3.572 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.471 -0.631 4.746 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.862 0.459 5.975 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.527 -0.315 5.421 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.220 -1.488 4.320 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.770 -1.223 8.827 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.103 -0.023 7.694 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.084 -1.363 8.273 1.00 0.00 H new ATOM 718 N LYS A 47 0.251 0.436 3.010 1.00 0.00 N ATOM 719 CA LYS A 47 -0.653 -0.082 1.990 1.00 0.00 C ATOM 720 C LYS A 47 -0.310 0.488 0.618 1.00 0.00 C ATOM 721 O LYS A 47 -0.645 -0.100 -0.411 1.00 0.00 O ATOM 722 CB LYS A 47 -2.103 0.255 2.347 1.00 0.00 C ATOM 723 CG LYS A 47 -2.640 -0.539 3.525 1.00 0.00 C ATOM 724 CD LYS A 47 -4.131 -0.316 3.714 1.00 0.00 C ATOM 725 CE LYS A 47 -4.707 -1.259 4.760 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.640 -2.681 4.322 1.00 0.00 N ATOM 0 H LYS A 47 -0.211 0.745 3.865 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.536 -1.165 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.175 1.319 2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.734 0.071 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.447 -1.600 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.110 -0.249 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.310 0.716 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.646 -0.465 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.160 -1.141 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.744 -0.989 4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.295 -3.252 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.907 -2.748 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.671 -3.038 4.447 1.00 0.00 H new ATOM 740 N LEU A 48 0.360 1.635 0.610 1.00 0.00 N ATOM 741 CA LEU A 48 0.751 2.285 -0.636 1.00 0.00 C ATOM 742 C LEU A 48 2.185 1.925 -1.012 1.00 0.00 C ATOM 743 O LEU A 48 2.441 1.406 -2.097 1.00 0.00 O ATOM 744 CB LEU A 48 0.610 3.802 -0.510 1.00 0.00 C ATOM 745 CG LEU A 48 -0.805 4.326 -0.259 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.779 5.822 0.015 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.707 4.014 -1.443 1.00 0.00 C ATOM 0 H LEU A 48 0.644 2.134 1.453 1.00 0.00 H new ATOM 0 HA LEU A 48 0.088 1.930 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.251 4.140 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.988 4.259 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.208 3.823 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.794 6.177 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.167 6.020 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.357 6.342 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.710 4.394 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.308 4.489 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.751 2.935 -1.593 1.00 0.00 H new ATOM 759 N GLU A 49 3.116 2.204 -0.105 1.00 0.00 N ATOM 760 CA GLU A 49 4.524 1.909 -0.341 1.00 0.00 C ATOM 761 C GLU A 49 4.707 0.469 -0.811 1.00 0.00 C ATOM 762 O GLU A 49 5.535 0.187 -1.678 1.00 0.00 O ATOM 763 CB GLU A 49 5.339 2.148 0.932 1.00 0.00 C ATOM 764 CG GLU A 49 5.243 1.014 1.939 1.00 0.00 C ATOM 765 CD GLU A 49 6.223 -0.106 1.651 1.00 0.00 C ATOM 766 OE1 GLU A 49 6.790 -0.126 0.538 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.423 -0.962 2.537 1.00 0.00 O ATOM 0 H GLU A 49 2.921 2.634 0.799 1.00 0.00 H new ATOM 0 HA GLU A 49 4.882 2.577 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.385 2.295 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.999 3.070 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.428 1.405 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.229 0.614 1.935 1.00 0.00 H new ATOM 774 N VAL A 50 3.927 -0.440 -0.233 1.00 0.00 N ATOM 775 CA VAL A 50 4.001 -1.851 -0.593 1.00 0.00 C ATOM 776 C VAL A 50 3.633 -2.065 -2.056 1.00 0.00 C ATOM 777 O VAL A 50 4.341 -2.752 -2.791 1.00 0.00 O ATOM 778 CB VAL A 50 3.071 -2.704 0.290 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.472 -2.592 1.753 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.621 -2.289 0.093 1.00 0.00 C ATOM 0 H VAL A 50 3.237 -0.224 0.486 1.00 0.00 H new ATOM 0 HA VAL A 50 5.032 -2.166 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 50 3.170 -3.747 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.804 -3.201 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.497 -2.943 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.404 -1.551 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.978 -2.902 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.503 -1.240 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.342 -2.427 -0.952 1.00 0.00 H new ATOM 790 N ALA A 51 2.519 -1.472 -2.473 1.00 0.00 N ATOM 791 CA ALA A 51 2.057 -1.596 -3.850 1.00 0.00 C ATOM 792 C ALA A 51 3.043 -0.953 -4.820 1.00 0.00 C ATOM 793 O ALA A 51 3.195 -1.406 -5.955 1.00 0.00 O ATOM 794 CB ALA A 51 0.679 -0.969 -4.003 1.00 0.00 C ATOM 0 H ALA A 51 1.920 -0.901 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 51 1.990 -2.657 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.347 -1.069 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.026 -1.476 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.728 0.087 -3.738 1.00 0.00 H new ATOM 800 N TRP A 52 3.708 0.102 -4.366 1.00 0.00 N ATOM 801 CA TRP A 52 4.679 0.807 -5.195 1.00 0.00 C ATOM 802 C TRP A 52 5.968 0.004 -5.326 1.00 0.00 C ATOM 803 O TRP A 52 6.573 -0.049 -6.398 1.00 0.00 O ATOM 804 CB TRP A 52 4.981 2.185 -4.603 1.00 0.00 C ATOM 805 CG TRP A 52 5.903 3.008 -5.452 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.569 4.097 -6.206 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.308 2.805 -5.636 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.683 4.583 -6.847 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.763 3.810 -6.513 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.227 1.875 -5.143 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.095 3.907 -6.906 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.549 1.973 -5.534 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.973 2.983 -6.408 1.00 0.00 C ATOM 0 H TRP A 52 3.593 0.488 -3.429 1.00 0.00 H new ATOM 0 HA TRP A 52 4.248 0.932 -6.188 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.045 2.726 -4.466 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.424 2.059 -3.615 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.576 4.514 -6.286 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.702 5.390 -7.471 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.910 1.093 -4.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.424 4.684 -7.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.268 1.259 -5.160 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.013 3.033 -6.694 1.00 0.00 H new ATOM 824 N LYS A 53 6.385 -0.622 -4.231 1.00 0.00 N ATOM 825 CA LYS A 53 7.602 -1.425 -4.223 1.00 0.00 C ATOM 826 C LYS A 53 7.407 -2.715 -5.013 1.00 0.00 C ATOM 827 O LYS A 53 8.319 -3.179 -5.696 1.00 0.00 O ATOM 828 CB LYS A 53 8.013 -1.752 -2.786 1.00 0.00 C ATOM 829 CG LYS A 53 8.439 -0.535 -1.983 1.00 0.00 C ATOM 830 CD LYS A 53 9.893 -0.176 -2.244 1.00 0.00 C ATOM 831 CE LYS A 53 10.809 -1.369 -2.021 1.00 0.00 C ATOM 832 NZ LYS A 53 11.052 -2.125 -3.281 1.00 0.00 N ATOM 0 H LYS A 53 5.897 -0.589 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 53 8.393 -0.845 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.178 -2.237 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.834 -2.469 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.802 0.312 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.297 -0.731 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.003 0.182 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.191 0.641 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.760 -1.025 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.366 -2.033 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.689 -3.094 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.564 -1.653 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.073 -2.157 -3.475 1.00 0.00 H new ATOM 846 N ALA A 54 6.212 -3.289 -4.915 1.00 0.00 N ATOM 847 CA ALA A 54 5.897 -4.523 -5.624 1.00 0.00 C ATOM 848 C ALA A 54 5.604 -4.252 -7.095 1.00 0.00 C ATOM 849 O ALA A 54 5.139 -5.133 -7.819 1.00 0.00 O ATOM 850 CB ALA A 54 4.715 -5.221 -4.968 1.00 0.00 C ATOM 0 H ALA A 54 5.446 -2.919 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 54 6.767 -5.177 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.491 -6.141 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.961 -5.458 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.845 -4.564 -4.993 1.00 0.00 H new ATOM 856 N LYS A 55 5.878 -3.028 -7.533 1.00 0.00 N ATOM 857 CA LYS A 55 5.645 -2.640 -8.919 1.00 0.00 C ATOM 858 C LYS A 55 4.205 -2.931 -9.330 1.00 0.00 C ATOM 859 O LYS A 55 3.945 -3.377 -10.448 1.00 0.00 O ATOM 860 CB LYS A 55 6.611 -3.380 -9.847 1.00 0.00 C ATOM 861 CG LYS A 55 8.027 -2.831 -9.813 1.00 0.00 C ATOM 862 CD LYS A 55 8.749 -3.073 -11.128 1.00 0.00 C ATOM 863 CE LYS A 55 8.501 -1.944 -12.117 1.00 0.00 C ATOM 864 NZ LYS A 55 9.054 -2.255 -13.464 1.00 0.00 N ATOM 0 H LYS A 55 6.262 -2.287 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 55 5.819 -1.567 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.632 -4.434 -9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.234 -3.326 -10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.999 -1.762 -9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.581 -3.301 -9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.819 -3.168 -10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.414 -4.016 -11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.430 -1.761 -12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.954 -1.026 -11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.865 -1.461 -14.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.081 -2.405 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.604 -3.116 -13.834 1.00 0.00 H new ATOM 878 N LYS A 56 3.271 -2.673 -8.420 1.00 0.00 N ATOM 879 CA LYS A 56 1.857 -2.905 -8.688 1.00 0.00 C ATOM 880 C LYS A 56 1.284 -1.804 -9.576 1.00 0.00 C ATOM 881 O LYS A 56 1.875 -0.732 -9.712 1.00 0.00 O ATOM 882 CB LYS A 56 1.073 -2.976 -7.376 1.00 0.00 C ATOM 883 CG LYS A 56 1.416 -4.188 -6.528 1.00 0.00 C ATOM 884 CD LYS A 56 0.522 -5.372 -6.857 1.00 0.00 C ATOM 885 CE LYS A 56 0.521 -6.399 -5.735 1.00 0.00 C ATOM 886 NZ LYS A 56 -0.435 -7.509 -6.001 1.00 0.00 N ATOM 0 H LYS A 56 3.469 -2.303 -7.490 1.00 0.00 H new ATOM 0 HA LYS A 56 1.763 -3.856 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.266 -2.072 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.006 -2.990 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.458 -4.463 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.313 -3.935 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.496 -5.023 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.862 -5.841 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.525 -6.806 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.259 -5.911 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.406 -8.188 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.397 -7.124 -6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.170 -7.991 -6.884 1.00 0.00 H new ATOM 900 N LYS A 57 0.130 -2.074 -10.176 1.00 0.00 N ATOM 901 CA LYS A 57 -0.525 -1.106 -11.048 1.00 0.00 C ATOM 902 C LYS A 57 -1.348 -0.112 -10.235 1.00 0.00 C ATOM 903 O LYS A 57 -1.396 1.076 -10.555 1.00 0.00 O ATOM 904 CB LYS A 57 -1.423 -1.824 -12.057 1.00 0.00 C ATOM 905 CG LYS A 57 -1.834 -0.955 -13.233 1.00 0.00 C ATOM 906 CD LYS A 57 -0.674 -0.725 -14.188 1.00 0.00 C ATOM 907 CE LYS A 57 -0.449 -1.928 -15.090 1.00 0.00 C ATOM 908 NZ LYS A 57 -1.494 -2.034 -16.146 1.00 0.00 N ATOM 0 H LYS A 57 -0.372 -2.956 -10.074 1.00 0.00 H new ATOM 0 HA LYS A 57 0.248 -0.557 -11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.902 -2.705 -12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.319 -2.177 -11.546 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.658 -1.429 -13.767 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.201 0.004 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.872 0.156 -14.798 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.233 -0.521 -13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.533 -1.853 -15.557 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.447 -2.837 -14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.200 -2.735 -16.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.393 -2.333 -15.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.620 -1.109 -16.604 1.00 0.00 H new ATOM 922 N ASP A 58 -1.993 -0.605 -9.184 1.00 0.00 N ATOM 923 CA ASP A 58 -2.812 0.241 -8.324 1.00 0.00 C ATOM 924 C ASP A 58 -3.171 -0.483 -7.031 1.00 0.00 C ATOM 925 O ASP A 58 -3.243 -1.712 -6.994 1.00 0.00 O ATOM 926 CB ASP A 58 -4.087 0.666 -9.055 1.00 0.00 C ATOM 927 CG ASP A 58 -4.845 -0.514 -9.630 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.713 -1.628 -9.081 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.571 -0.325 -10.628 1.00 0.00 O ATOM 0 H ASP A 58 -1.965 -1.586 -8.907 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.232 1.129 -8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.734 1.209 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.829 1.355 -9.859 1.00 0.00 H new ATOM 934 N THR A 59 -3.394 0.286 -5.969 1.00 0.00 N ATOM 935 CA THR A 59 -3.743 -0.283 -4.673 1.00 0.00 C ATOM 936 C THR A 59 -4.944 0.431 -4.065 1.00 0.00 C ATOM 937 O THR A 59 -4.990 1.660 -4.017 1.00 0.00 O ATOM 938 CB THR A 59 -2.560 -0.204 -3.689 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.879 -0.907 -2.483 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.223 1.244 -3.364 1.00 0.00 C ATOM 0 H THR A 59 -3.339 1.304 -5.981 1.00 0.00 H new ATOM 0 HA THR A 59 -3.995 -1.330 -4.844 1.00 0.00 H new ATOM 0 HB THR A 59 -1.692 -0.666 -4.160 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.213 -0.696 -1.795 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.385 1.275 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.953 1.769 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.089 1.726 -2.911 1.00 0.00 H new ATOM 948 N VAL A 60 -5.916 -0.347 -3.600 1.00 0.00 N ATOM 949 CA VAL A 60 -7.119 0.211 -2.993 1.00 0.00 C ATOM 950 C VAL A 60 -6.911 0.476 -1.506 1.00 0.00 C ATOM 951 O VAL A 60 -6.382 -0.368 -0.782 1.00 0.00 O ATOM 952 CB VAL A 60 -8.326 -0.728 -3.172 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.419 -0.390 -2.170 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.854 -0.650 -4.597 1.00 0.00 C ATOM 0 H VAL A 60 -5.894 -1.366 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.323 1.153 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.000 -1.751 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.264 -1.064 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.032 -0.502 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.746 0.639 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.707 -1.320 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.165 0.372 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.069 -0.946 -5.293 1.00 0.00 H new ATOM 964 N VAL A 61 -7.332 1.653 -1.056 1.00 0.00 N ATOM 965 CA VAL A 61 -7.194 2.030 0.346 1.00 0.00 C ATOM 966 C VAL A 61 -8.446 2.739 0.851 1.00 0.00 C ATOM 967 O VAL A 61 -9.161 3.379 0.080 1.00 0.00 O ATOM 968 CB VAL A 61 -5.975 2.946 0.564 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.696 2.244 0.133 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.153 4.256 -0.187 1.00 0.00 C ATOM 0 H VAL A 61 -7.772 2.363 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.051 1.107 0.909 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.897 3.171 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.845 2.906 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.564 1.335 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.760 1.987 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.283 4.891 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.257 4.053 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.047 4.764 0.175 1.00 0.00 H new ATOM 980 N GLN A 62 -8.703 2.621 2.149 1.00 0.00 N ATOM 981 CA GLN A 62 -9.870 3.251 2.756 1.00 0.00 C ATOM 982 C GLN A 62 -9.602 4.724 3.047 1.00 0.00 C ATOM 983 O GLN A 62 -8.870 5.060 3.978 1.00 0.00 O ATOM 984 CB GLN A 62 -10.254 2.525 4.047 1.00 0.00 C ATOM 985 CG GLN A 62 -10.868 1.155 3.815 1.00 0.00 C ATOM 986 CD GLN A 62 -9.827 0.054 3.737 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.251 -0.343 4.750 1.00 0.00 O ATOM 988 NE2 GLN A 62 -9.582 -0.444 2.532 1.00 0.00 N ATOM 0 H GLN A 62 -8.120 2.096 2.800 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.698 3.183 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.366 2.415 4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.960 3.141 4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.567 0.933 4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.444 1.171 2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.084 -0.084 1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.892 -1.187 2.418 1.00 0.00 H new ATOM 997 N ILE A 63 -10.201 5.598 2.245 1.00 0.00 N ATOM 998 CA ILE A 63 -10.028 7.035 2.418 1.00 0.00 C ATOM 999 C ILE A 63 -11.357 7.716 2.725 1.00 0.00 C ATOM 1000 O ILE A 63 -12.275 7.710 1.903 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.409 7.682 1.164 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.020 7.101 0.897 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.335 9.193 1.330 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.383 7.620 -0.374 1.00 0.00 C ATOM 0 H ILE A 63 -10.810 5.336 1.470 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.350 7.172 3.260 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.045 7.461 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.370 7.332 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.094 6.015 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.896 9.636 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.338 9.592 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.718 9.434 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.400 7.166 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.012 7.365 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.277 8.703 -0.312 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.453 8.306 3.912 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.670 8.994 4.328 1.00 0.00 C ATOM 1018 C HIS A 64 -13.821 8.007 4.501 1.00 0.00 C ATOM 1019 O HIS A 64 -14.957 8.292 4.124 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.051 10.064 3.304 1.00 0.00 C ATOM 1021 CG HIS A 64 -11.951 11.042 3.023 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -10.618 10.962 3.241 1.00 0.00 N flip ATOM 1023 CD2 HIS A 64 -12.171 12.277 2.451 1.00 0.00 C flip ATOM 1024 CE1 HIS A 64 -10.062 12.137 2.800 1.00 0.00 C flip ATOM 1025 NE2 HIS A 64 -11.020 12.914 2.327 1.00 0.00 N flip ATOM 0 H HIS A 64 -10.703 8.322 4.603 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.477 9.472 5.288 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.340 9.577 2.373 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.925 10.606 3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -13.134 12.663 2.151 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.012 12.386 2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.893 13.846 1.933 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.518 6.847 5.072 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.526 5.817 5.294 1.00 0.00 C ATOM 1036 C ASN A 65 -15.072 5.295 3.968 1.00 0.00 C ATOM 1037 O ASN A 65 -16.198 4.805 3.899 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.671 6.370 6.146 1.00 0.00 C ATOM 1039 CG ASN A 65 -16.515 5.271 6.763 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -16.021 4.457 7.544 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -17.796 5.243 6.414 1.00 0.00 N ATOM 0 H ASN A 65 -12.582 6.596 5.390 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.053 4.990 5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.261 6.997 6.937 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.304 7.008 5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.413 4.527 6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.163 5.938 5.763 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.264 5.405 2.918 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.665 4.944 1.594 1.00 0.00 C ATOM 1050 C GLN A 66 -13.465 4.419 0.813 1.00 0.00 C ATOM 1051 O GLN A 66 -12.453 5.106 0.677 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.338 6.078 0.819 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.755 7.450 1.120 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.755 8.569 0.904 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -16.920 8.458 1.287 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.304 9.655 0.288 1.00 0.00 N ATOM 0 H GLN A 66 -13.328 5.809 2.959 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.376 4.128 1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.248 5.880 -0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.403 6.085 1.053 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.406 7.474 2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.885 7.618 0.486 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.330 9.704 -0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.931 10.441 0.115 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.586 3.199 0.303 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.511 2.582 -0.466 1.00 0.00 C ATOM 1067 C ASP A 67 -12.206 3.392 -1.722 1.00 0.00 C ATOM 1068 O ASP A 67 -13.114 3.791 -2.451 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.885 1.149 -0.847 1.00 0.00 C ATOM 1070 CG ASP A 67 -13.389 0.347 0.337 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -14.467 0.686 0.868 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -12.704 -0.619 0.733 1.00 0.00 O ATOM 0 H ASP A 67 -14.417 2.617 0.408 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.617 2.563 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.653 1.171 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.015 0.651 -1.275 1.00 0.00 H new ATOM 1077 N PHE A 68 -10.923 3.633 -1.967 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.498 4.398 -3.134 1.00 0.00 C ATOM 1079 C PHE A 68 -9.422 3.648 -3.914 1.00 0.00 C ATOM 1080 O PHE A 68 -8.657 2.868 -3.347 1.00 0.00 O ATOM 1081 CB PHE A 68 -9.972 5.770 -2.707 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.025 6.840 -2.698 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.224 6.645 -2.032 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.816 8.042 -3.355 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.195 7.628 -2.023 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.784 9.029 -3.350 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.975 8.822 -2.682 1.00 0.00 C ATOM 0 H PHE A 68 -10.159 3.310 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.363 4.534 -3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.539 5.690 -1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.169 6.068 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.402 5.714 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.886 8.210 -3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.126 7.463 -1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.609 9.961 -3.868 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.733 9.592 -2.675 1.00 0.00 H new ATOM 1097 N THR A 69 -9.370 3.890 -5.220 1.00 0.00 N ATOM 1098 CA THR A 69 -8.390 3.237 -6.080 1.00 0.00 C ATOM 1099 C THR A 69 -7.197 4.149 -6.344 1.00 0.00 C ATOM 1100 O THR A 69 -7.300 5.122 -7.091 1.00 0.00 O ATOM 1101 CB THR A 69 -9.013 2.822 -7.426 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.155 1.988 -7.202 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.999 2.082 -8.286 1.00 0.00 C ATOM 0 H THR A 69 -9.995 4.533 -5.706 1.00 0.00 H new ATOM 0 HA THR A 69 -8.052 2.344 -5.554 1.00 0.00 H new ATOM 0 HB THR A 69 -9.322 3.725 -7.952 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.546 1.730 -8.063 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.462 1.799 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.144 2.730 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.664 1.186 -7.763 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.065 3.827 -5.727 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.851 4.616 -5.897 1.00 0.00 C ATOM 1113 C VAL A 70 -3.949 4.013 -6.968 1.00 0.00 C ATOM 1114 O VAL A 70 -3.446 2.899 -6.817 1.00 0.00 O ATOM 1115 CB VAL A 70 -4.062 4.723 -4.578 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.711 5.381 -4.816 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.863 5.493 -3.539 1.00 0.00 C ATOM 0 H VAL A 70 -5.963 3.025 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.163 5.613 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.888 3.717 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.168 5.448 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.136 4.785 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.860 6.382 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.291 5.559 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.070 6.497 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.803 4.976 -3.348 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.748 4.756 -8.051 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.905 4.296 -9.148 1.00 0.00 C ATOM 1129 C ASP A 71 -1.473 4.794 -8.980 1.00 0.00 C ATOM 1130 O ASP A 71 -1.229 5.999 -8.901 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.470 4.772 -10.488 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.151 3.818 -11.622 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -1.966 3.459 -11.780 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -4.087 3.430 -12.353 1.00 0.00 O ATOM 0 H ASP A 71 -4.157 5.679 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.895 3.206 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.551 4.884 -10.404 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.065 5.757 -10.721 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.530 3.860 -8.923 1.00 0.00 N ATOM 1140 CA LEU A 72 0.879 4.204 -8.763 1.00 0.00 C ATOM 1141 C LEU A 72 1.446 4.790 -10.052 1.00 0.00 C ATOM 1142 O LEU A 72 2.198 5.764 -10.024 1.00 0.00 O ATOM 1143 CB LEU A 72 1.682 2.969 -8.353 1.00 0.00 C ATOM 1144 CG LEU A 72 1.197 2.237 -7.102 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.608 0.773 -7.146 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.738 2.907 -5.848 1.00 0.00 C ATOM 0 H LEU A 72 -0.715 2.859 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 72 0.957 4.957 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.678 2.265 -9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.718 3.270 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 72 0.108 2.287 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.254 0.268 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.171 0.299 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.694 0.701 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.382 2.372 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.828 2.890 -5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.392 3.940 -5.809 1.00 0.00 H new ATOM 1158 N SER A 73 1.080 4.191 -11.180 1.00 0.00 N ATOM 1159 CA SER A 73 1.554 4.652 -12.480 1.00 0.00 C ATOM 1160 C SER A 73 1.522 6.175 -12.560 1.00 0.00 C ATOM 1161 O SER A 73 2.523 6.813 -12.888 1.00 0.00 O ATOM 1162 CB SER A 73 0.700 4.053 -13.599 1.00 0.00 C ATOM 1163 OG SER A 73 1.433 3.968 -14.809 1.00 0.00 O ATOM 0 H SER A 73 0.456 3.385 -11.220 1.00 0.00 H new ATOM 0 HA SER A 73 2.585 4.320 -12.602 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.357 3.060 -13.307 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.189 4.666 -13.751 1.00 0.00 H new ATOM 0 HG SER A 73 0.866 3.581 -15.508 1.00 0.00 H new ATOM 1169 N THR A 74 0.363 6.753 -12.258 1.00 0.00 N ATOM 1170 CA THR A 74 0.198 8.201 -12.297 1.00 0.00 C ATOM 1171 C THR A 74 0.241 8.797 -10.895 1.00 0.00 C ATOM 1172 O THR A 74 0.482 9.991 -10.725 1.00 0.00 O ATOM 1173 CB THR A 74 -1.129 8.598 -12.972 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.245 10.024 -13.023 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.314 8.014 -12.218 1.00 0.00 C ATOM 0 H THR A 74 -0.475 6.240 -11.984 1.00 0.00 H new ATOM 0 HA THR A 74 1.027 8.598 -12.883 1.00 0.00 H new ATOM 0 HB THR A 74 -1.130 8.198 -13.986 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.090 10.268 -13.455 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.240 8.307 -12.712 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.238 6.927 -12.206 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.315 8.389 -11.195 1.00 0.00 H new ATOM 1183 N ASN A 75 0.005 7.957 -9.893 1.00 0.00 N ATOM 1184 CA ASN A 75 0.017 8.402 -8.504 1.00 0.00 C ATOM 1185 C ASN A 75 -1.193 9.281 -8.204 1.00 0.00 C ATOM 1186 O ASN A 75 -1.055 10.395 -7.697 1.00 0.00 O ATOM 1187 CB ASN A 75 1.306 9.168 -8.203 1.00 0.00 C ATOM 1188 CG ASN A 75 2.504 8.597 -8.938 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.679 8.827 -10.134 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.334 7.848 -8.222 1.00 0.00 N ATOM 0 H ASN A 75 -0.197 6.965 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.030 7.520 -7.866 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.177 10.214 -8.482 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.497 9.145 -7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.157 7.436 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.148 7.684 -7.232 1.00 0.00 H new ATOM 1197 N THR A 76 -2.380 8.774 -8.521 1.00 0.00 N ATOM 1198 CA THR A 76 -3.614 9.512 -8.286 1.00 0.00 C ATOM 1199 C THR A 76 -4.726 8.587 -7.807 1.00 0.00 C ATOM 1200 O THR A 76 -4.924 7.503 -8.355 1.00 0.00 O ATOM 1201 CB THR A 76 -4.083 10.242 -9.560 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.095 11.193 -9.970 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.408 10.950 -9.321 1.00 0.00 C ATOM 0 H THR A 76 -2.513 7.854 -8.942 1.00 0.00 H new ATOM 0 HA THR A 76 -3.399 10.248 -7.511 1.00 0.00 H new ATOM 0 HB THR A 76 -4.222 9.501 -10.347 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.399 11.652 -10.781 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.719 11.458 -10.234 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.165 10.219 -9.037 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.291 11.681 -8.521 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.451 9.021 -6.781 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.545 8.232 -6.229 1.00 0.00 C ATOM 1213 C ALA A 77 -7.873 8.608 -6.877 1.00 0.00 C ATOM 1214 O ALA A 77 -8.081 9.755 -7.274 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.621 8.416 -4.721 1.00 0.00 C ATOM 0 H ALA A 77 -5.300 9.916 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.348 7.182 -6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.443 7.821 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.685 8.091 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.790 9.468 -4.491 1.00 0.00 H new ATOM 1221 N THR A 78 -8.771 7.633 -6.983 1.00 0.00 N ATOM 1222 CA THR A 78 -10.079 7.861 -7.585 1.00 0.00 C ATOM 1223 C THR A 78 -11.125 6.918 -7.001 1.00 0.00 C ATOM 1224 O THR A 78 -10.826 5.771 -6.671 1.00 0.00 O ATOM 1225 CB THR A 78 -10.034 7.675 -9.114 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.948 8.426 -9.667 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.342 8.119 -9.751 1.00 0.00 C ATOM 0 H THR A 78 -8.616 6.678 -6.660 1.00 0.00 H new ATOM 0 HA THR A 78 -10.355 8.891 -7.359 1.00 0.00 H new ATOM 0 HB THR A 78 -9.887 6.616 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.925 8.301 -10.639 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.287 7.979 -10.831 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.163 7.525 -9.349 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.515 9.172 -9.530 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.353 7.410 -6.875 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.445 6.610 -6.333 1.00 0.00 C ATOM 1237 C ALA A 79 -14.711 6.771 -7.167 1.00 0.00 C ATOM 1238 O ALA A 79 -14.923 7.789 -7.827 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.711 6.994 -4.885 1.00 0.00 C ATOM 0 H ALA A 79 -12.617 8.359 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.149 5.562 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.529 6.389 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.813 6.820 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.982 8.048 -4.832 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.574 5.745 -7.139 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.834 5.750 -7.887 1.00 0.00 C ATOM 1247 C PRO A 80 -17.843 6.741 -7.318 1.00 0.00 C ATOM 1248 O PRO A 80 -18.976 6.827 -7.791 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.346 4.315 -7.729 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.729 3.830 -6.463 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.386 4.501 -6.374 1.00 0.00 C ATOM 0 HA PRO A 80 -16.691 6.055 -8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.434 4.287 -7.675 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.052 3.694 -8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.350 4.084 -5.604 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.624 2.745 -6.471 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.106 4.704 -5.340 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.598 3.881 -6.802 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.424 7.486 -6.300 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.292 8.471 -5.666 1.00 0.00 C ATOM 1261 C GLN A 81 -18.192 9.819 -6.372 1.00 0.00 C ATOM 1262 O GLN A 81 -19.192 10.512 -6.554 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.928 8.628 -4.189 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.813 7.305 -3.448 1.00 0.00 C ATOM 1265 CD GLN A 81 -18.182 7.424 -1.982 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -19.037 8.228 -1.608 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -17.538 6.622 -1.142 1.00 0.00 N ATOM 0 H GLN A 81 -16.489 7.426 -5.897 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.319 8.116 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.981 9.162 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.683 9.244 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.461 6.569 -3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.792 6.933 -3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.837 5.971 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.745 6.657 -0.144 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.977 10.186 -6.769 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.768 11.450 -7.450 1.00 0.00 C ATOM 1278 C GLY A 82 -15.674 12.280 -6.809 1.00 0.00 C ATOM 1279 O GLY A 82 -15.740 13.509 -6.807 1.00 0.00 O ATOM 0 H GLY A 82 -16.133 9.630 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.512 11.260 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.698 12.018 -7.449 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.665 11.608 -6.264 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.553 12.292 -5.615 1.00 0.00 C ATOM 1285 C GLN A 83 -12.219 11.698 -6.053 1.00 0.00 C ATOM 1286 O GLN A 83 -12.063 10.479 -6.126 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.690 12.204 -4.094 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.713 13.169 -3.518 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.101 12.566 -3.432 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.480 11.733 -4.256 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.868 12.985 -2.433 1.00 0.00 N ATOM 0 H GLN A 83 -14.595 10.590 -6.259 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.579 13.340 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.969 11.186 -3.821 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.720 12.402 -3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.394 13.480 -2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.749 14.066 -4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.513 13.677 -1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.812 12.615 -2.325 1.00 0.00 H new ATOM 1300 N THR A 84 -11.257 12.568 -6.346 1.00 0.00 N ATOM 1301 CA THR A 84 -9.936 12.131 -6.778 1.00 0.00 C ATOM 1302 C THR A 84 -8.837 12.919 -6.074 1.00 0.00 C ATOM 1303 O THR A 84 -8.993 14.109 -5.799 1.00 0.00 O ATOM 1304 CB THR A 84 -9.765 12.282 -8.302 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.720 13.669 -8.654 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.904 11.601 -9.044 1.00 0.00 C ATOM 0 H THR A 84 -11.369 13.580 -6.292 1.00 0.00 H new ATOM 0 HA THR A 84 -9.850 11.077 -6.512 1.00 0.00 H new ATOM 0 HB THR A 84 -8.829 11.804 -8.590 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.609 13.757 -9.624 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.762 11.721 -10.118 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.917 10.540 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.851 12.054 -8.751 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.727 12.249 -5.786 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.601 12.888 -5.113 1.00 0.00 C ATOM 1316 C PHE A 85 -5.281 12.490 -5.766 1.00 0.00 C ATOM 1317 O PHE A 85 -5.249 11.664 -6.678 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.585 12.509 -3.630 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.944 12.186 -3.079 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.892 13.182 -2.910 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.273 10.886 -2.729 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.144 12.888 -2.403 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.523 10.586 -2.222 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.459 11.588 -2.058 1.00 0.00 C ATOM 0 H PHE A 85 -7.582 11.264 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.720 13.968 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.931 11.648 -3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.156 13.331 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.650 14.200 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.544 10.099 -2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.875 13.673 -2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.768 9.569 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.436 11.356 -1.661 1.00 0.00 H new ATOM 1334 N THR A 86 -4.190 13.085 -5.292 1.00 0.00 N ATOM 1335 CA THR A 86 -2.867 12.796 -5.829 1.00 0.00 C ATOM 1336 C THR A 86 -1.933 12.277 -4.742 1.00 0.00 C ATOM 1337 O THR A 86 -1.725 12.935 -3.722 1.00 0.00 O ATOM 1338 CB THR A 86 -2.238 14.045 -6.477 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.091 14.540 -7.515 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.866 13.724 -7.050 1.00 0.00 C ATOM 0 H THR A 86 -4.198 13.770 -4.537 1.00 0.00 H new ATOM 0 HA THR A 86 -2.997 12.027 -6.590 1.00 0.00 H new ATOM 0 HB THR A 86 -2.123 14.808 -5.707 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.685 15.335 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.442 14.620 -7.502 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.211 13.375 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.961 12.946 -7.807 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.372 11.093 -4.965 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.459 10.486 -4.005 1.00 0.00 C ATOM 1350 C VAL A 87 0.994 10.756 -4.381 1.00 0.00 C ATOM 1351 O VAL A 87 1.379 10.620 -5.542 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.678 8.965 -3.905 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.896 8.656 -3.048 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.823 8.356 -5.292 1.00 0.00 C ATOM 0 H VAL A 87 -1.534 10.535 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.671 10.940 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 87 0.195 8.520 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.035 7.577 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.747 9.058 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.780 9.112 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.977 7.281 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.678 8.804 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.082 8.546 -5.869 1.00 0.00 H new ATOM 1364 N GLN A 88 1.795 11.138 -3.392 1.00 0.00 N ATOM 1365 CA GLN A 88 3.206 11.427 -3.621 1.00 0.00 C ATOM 1366 C GLN A 88 4.087 10.616 -2.677 1.00 0.00 C ATOM 1367 O GLN A 88 3.737 10.400 -1.516 1.00 0.00 O ATOM 1368 CB GLN A 88 3.479 12.921 -3.435 1.00 0.00 C ATOM 1369 CG GLN A 88 3.093 13.444 -2.061 1.00 0.00 C ATOM 1370 CD GLN A 88 2.770 14.925 -2.070 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.119 15.642 -3.008 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.099 15.391 -1.023 1.00 0.00 N ATOM 0 H GLN A 88 1.492 11.255 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 88 3.447 11.146 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.539 13.112 -3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.931 13.479 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.229 12.890 -1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.909 13.258 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.830 14.760 -0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.853 16.380 -0.974 1.00 0.00 H new ATOM 1381 N ARG A 89 5.232 10.168 -3.182 1.00 0.00 N ATOM 1382 CA ARG A 89 6.163 9.380 -2.384 1.00 0.00 C ATOM 1383 C ARG A 89 7.294 10.252 -1.848 1.00 0.00 C ATOM 1384 O ARG A 89 7.995 10.917 -2.613 1.00 0.00 O ATOM 1385 CB ARG A 89 6.739 8.234 -3.219 1.00 0.00 C ATOM 1386 CG ARG A 89 7.272 7.081 -2.384 1.00 0.00 C ATOM 1387 CD ARG A 89 7.418 5.815 -3.213 1.00 0.00 C ATOM 1388 NE ARG A 89 8.022 4.727 -2.448 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.334 4.565 -2.310 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.174 5.417 -2.881 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.807 3.550 -1.598 1.00 0.00 N ATOM 0 H ARG A 89 5.537 10.338 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 89 5.616 8.965 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.965 7.859 -3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.543 8.620 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.239 7.353 -1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.599 6.894 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.438 5.503 -3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.030 6.025 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 89 7.403 4.055 -1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.814 6.199 -3.428 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.180 5.290 -2.773 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.164 2.893 -1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.814 3.426 -1.493 1.00 0.00 H new ATOM 1405 N LEU A 90 7.466 10.245 -0.531 1.00 0.00 N ATOM 1406 CA LEU A 90 8.512 11.036 0.108 1.00 0.00 C ATOM 1407 C LEU A 90 9.293 10.196 1.113 1.00 0.00 C ATOM 1408 O LEU A 90 8.720 9.634 2.046 1.00 0.00 O ATOM 1409 CB LEU A 90 7.903 12.253 0.807 1.00 0.00 C ATOM 1410 CG LEU A 90 6.818 13.000 0.031 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.492 12.262 0.123 1.00 0.00 C ATOM 1412 CD2 LEU A 90 6.676 14.424 0.550 1.00 0.00 C ATOM 0 H LEU A 90 6.895 9.701 0.115 1.00 0.00 H new ATOM 0 HA LEU A 90 9.200 11.376 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.482 11.928 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.705 12.954 1.037 1.00 0.00 H new ATOM 0 HG LEU A 90 7.113 13.044 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.732 12.809 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.602 11.262 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.190 12.185 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.899 14.941 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.404 14.401 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.623 14.951 0.431 1.00 0.00 H new ATOM 1424 N VAL A 91 10.606 10.116 0.916 1.00 0.00 N ATOM 1425 CA VAL A 91 11.466 9.347 1.807 1.00 0.00 C ATOM 1426 C VAL A 91 11.761 10.119 3.088 1.00 0.00 C ATOM 1427 O VAL A 91 12.091 11.305 3.050 1.00 0.00 O ATOM 1428 CB VAL A 91 12.797 8.980 1.123 1.00 0.00 C ATOM 1429 CG1 VAL A 91 13.634 10.227 0.881 1.00 0.00 C ATOM 1430 CG2 VAL A 91 13.564 7.968 1.960 1.00 0.00 C ATOM 0 H VAL A 91 11.096 10.574 0.148 1.00 0.00 H new ATOM 0 HA VAL A 91 10.928 8.432 2.054 1.00 0.00 H new ATOM 0 HB VAL A 91 12.576 8.526 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.570 9.949 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.084 10.915 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 91 13.848 10.712 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.501 7.720 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.776 8.393 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.965 7.065 2.077 1.00 0.00 H new ATOM 1440 N LYS A 92 11.641 9.439 4.223 1.00 0.00 N ATOM 1441 CA LYS A 92 11.897 10.059 5.518 1.00 0.00 C ATOM 1442 C LYS A 92 13.177 9.511 6.141 1.00 0.00 C ATOM 1443 O LYS A 92 13.136 8.597 6.963 1.00 0.00 O ATOM 1444 CB LYS A 92 10.716 9.823 6.462 1.00 0.00 C ATOM 1445 CG LYS A 92 9.442 10.531 6.032 1.00 0.00 C ATOM 1446 CD LYS A 92 9.539 12.032 6.249 1.00 0.00 C ATOM 1447 CE LYS A 92 8.180 12.702 6.114 1.00 0.00 C ATOM 1448 NZ LYS A 92 8.093 13.947 6.927 1.00 0.00 N ATOM 0 H LYS A 92 11.368 8.458 4.273 1.00 0.00 H new ATOM 0 HA LYS A 92 12.021 11.131 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.522 8.752 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.989 10.159 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.248 10.326 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.597 10.135 6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.948 12.232 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.232 12.462 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.994 12.938 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.400 12.008 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.152 14.374 6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.245 13.718 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.821 14.619 6.611 1.00 0.00 H new ATOM 1462 N ALA A 93 14.312 10.078 5.744 1.00 0.00 N ATOM 1463 CA ALA A 93 15.603 9.648 6.267 1.00 0.00 C ATOM 1464 C ALA A 93 16.052 10.538 7.421 1.00 0.00 C ATOM 1465 O ALA A 93 16.692 11.568 7.210 1.00 0.00 O ATOM 1466 CB ALA A 93 16.647 9.648 5.160 1.00 0.00 C ATOM 0 H ALA A 93 14.363 10.835 5.063 1.00 0.00 H new ATOM 0 HA ALA A 93 15.493 8.633 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.606 9.325 5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.338 8.965 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.745 10.654 4.753 1.00 0.00 H new ATOM 1472 N SER A 94 15.713 10.134 8.641 1.00 0.00 N ATOM 1473 CA SER A 94 16.078 10.897 9.828 1.00 0.00 C ATOM 1474 C SER A 94 17.340 10.331 10.471 1.00 0.00 C ATOM 1475 O SER A 94 17.310 9.273 11.098 1.00 0.00 O ATOM 1476 CB SER A 94 14.929 10.889 10.838 1.00 0.00 C ATOM 1477 OG SER A 94 14.635 9.570 11.266 1.00 0.00 O ATOM 0 H SER A 94 15.186 9.282 8.833 1.00 0.00 H new ATOM 0 HA SER A 94 16.277 11.924 9.523 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.193 11.504 11.699 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.042 11.335 10.388 1.00 0.00 H new ATOM 0 HG SER A 94 15.465 9.052 11.324 1.00 0.00 H new ATOM 1483 N GLY A 95 18.450 11.046 10.312 1.00 0.00 N ATOM 1484 CA GLY A 95 19.708 10.600 10.882 1.00 0.00 C ATOM 1485 C GLY A 95 19.976 11.211 12.243 1.00 0.00 C ATOM 1486 O GLY A 95 19.064 11.664 12.934 1.00 0.00 O ATOM 0 H GLY A 95 18.500 11.926 9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 95 19.699 9.514 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 95 20.522 10.858 10.205 1.00 0.00 H new ATOM 1490 N PRO A 96 21.255 11.226 12.647 1.00 0.00 N ATOM 1491 CA PRO A 96 21.671 11.782 13.938 1.00 0.00 C ATOM 1492 C PRO A 96 21.535 13.300 13.986 1.00 0.00 C ATOM 1493 O PRO A 96 20.950 13.851 14.919 1.00 0.00 O ATOM 1494 CB PRO A 96 23.142 11.373 14.043 1.00 0.00 C ATOM 1495 CG PRO A 96 23.591 11.207 12.632 1.00 0.00 C ATOM 1496 CD PRO A 96 22.394 10.702 11.874 1.00 0.00 C ATOM 0 HA PRO A 96 21.053 11.415 14.758 1.00 0.00 H new ATOM 0 HB2 PRO A 96 23.729 12.134 14.558 1.00 0.00 H new ATOM 0 HB3 PRO A 96 23.256 10.447 14.606 1.00 0.00 H new ATOM 0 HG2 PRO A 96 23.943 12.153 12.221 1.00 0.00 H new ATOM 0 HG3 PRO A 96 24.420 10.503 12.566 1.00 0.00 H new ATOM 0 HD2 PRO A 96 22.385 11.068 10.847 1.00 0.00 H new ATOM 0 HD3 PRO A 96 22.379 9.613 11.825 1.00 0.00 H new ATOM 1504 N SER A 97 22.079 13.971 12.976 1.00 0.00 N ATOM 1505 CA SER A 97 22.021 15.426 12.905 1.00 0.00 C ATOM 1506 C SER A 97 21.524 15.884 11.537 1.00 0.00 C ATOM 1507 O SER A 97 21.777 15.233 10.523 1.00 0.00 O ATOM 1508 CB SER A 97 23.399 16.027 13.187 1.00 0.00 C ATOM 1509 OG SER A 97 23.328 17.438 13.296 1.00 0.00 O ATOM 0 H SER A 97 22.565 13.530 12.195 1.00 0.00 H new ATOM 0 HA SER A 97 21.319 15.774 13.663 1.00 0.00 H new ATOM 0 HB2 SER A 97 23.800 15.608 14.110 1.00 0.00 H new ATOM 0 HB3 SER A 97 24.088 15.755 12.387 1.00 0.00 H new ATOM 0 HG SER A 97 24.221 17.797 13.478 1.00 0.00 H new ATOM 1515 N SER A 98 20.817 17.009 11.517 1.00 0.00 N ATOM 1516 CA SER A 98 20.281 17.554 10.275 1.00 0.00 C ATOM 1517 C SER A 98 20.240 19.078 10.323 1.00 0.00 C ATOM 1518 O SER A 98 20.307 19.679 11.395 1.00 0.00 O ATOM 1519 CB SER A 98 18.878 17.003 10.015 1.00 0.00 C ATOM 1520 OG SER A 98 18.930 15.648 9.604 1.00 0.00 O ATOM 0 H SER A 98 20.602 17.561 12.347 1.00 0.00 H new ATOM 0 HA SER A 98 20.939 17.251 9.461 1.00 0.00 H new ATOM 0 HB2 SER A 98 18.277 17.089 10.920 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.386 17.600 9.248 1.00 0.00 H new ATOM 0 HG SER A 98 19.850 15.319 9.677 1.00 0.00 H new ATOM 1526 N GLY A 99 20.130 19.698 9.152 1.00 0.00 N ATOM 1527 CA GLY A 99 20.083 21.147 9.082 1.00 0.00 C ATOM 1528 C GLY A 99 21.298 21.734 8.392 1.00 0.00 C ATOM 1529 O GLY A 99 21.195 22.735 7.683 1.00 0.00 O ATOM 0 H GLY A 99 20.073 19.223 8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 99 19.183 21.453 8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 99 20.010 21.554 10.090 1.00 0.00 H new TER 1533 GLY A 99