USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 549 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 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -1.16 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2!) USER MOD Set 2.2: A 19 MET CE :methyl 150:sc= 0 (180deg=-0.0663) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.475 USER MOD Single : A 12 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.66) USER MOD Single : A 17 TYR OH : rot 4:sc= -1.79! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 7:sc= 0.268 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.85! C(o=-2.9!,f=-3.1!) USER MOD Single : A 27 TYR OH : rot 70:sc= -1.59! USER MOD Single : A 29 CYS SG : rot 34:sc= 0.196 USER MOD Single : A 32 SER OG : rot 42:sc= 0.386 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -3.3! X(o=-3.3!,f=-3.4) USER MOD Single : A 40 THR OG1 : rot 45:sc= -0.263 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 52 CYS SG : rot 9:sc= -0.696 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -110:sc= -0.993 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00693) USER MOD Single : A 64 HIS : no HD1:sc= -8.05! C(o=-8!,f=-8!) USER MOD Single : A 72 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.687 6.858 -4.720 1.00 0.00 N ATOM 67 CA LYS A 8 -19.050 6.580 -6.003 1.00 0.00 C ATOM 68 C LYS A 8 -17.561 6.306 -5.823 1.00 0.00 C ATOM 69 O LYS A 8 -16.886 6.971 -5.036 1.00 0.00 O ATOM 70 CB LYS A 8 -19.251 7.757 -6.960 1.00 0.00 C ATOM 71 CG LYS A 8 -20.620 7.779 -7.619 1.00 0.00 C ATOM 72 CD LYS A 8 -20.564 8.410 -9.000 1.00 0.00 C ATOM 73 CE LYS A 8 -21.874 9.097 -9.352 1.00 0.00 C ATOM 74 NZ LYS A 8 -21.669 10.236 -10.289 1.00 0.00 N ATOM 0 HA LYS A 8 -19.516 5.691 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.106 8.688 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.485 7.720 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.003 6.762 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.318 8.334 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.750 9.134 -9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.343 7.644 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.554 8.374 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.351 9.458 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.586 10.678 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.041 10.939 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.237 9.888 -11.169 1.00 0.00 H new ATOM 88 N THR A 9 -17.052 5.322 -6.559 1.00 0.00 N ATOM 89 CA THR A 9 -15.642 4.960 -6.481 1.00 0.00 C ATOM 90 C THR A 9 -14.756 6.085 -7.005 1.00 0.00 C ATOM 91 O THR A 9 -15.170 6.903 -7.826 1.00 0.00 O ATOM 92 CB THR A 9 -15.347 3.676 -7.277 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.978 4.006 -8.621 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.559 2.757 -7.291 1.00 0.00 C ATOM 0 H THR A 9 -17.596 4.762 -7.216 1.00 0.00 H new ATOM 0 HA THR A 9 -15.418 4.785 -5.429 1.00 0.00 H new ATOM 0 HB THR A 9 -14.522 3.156 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.790 3.184 -9.120 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.326 1.857 -7.859 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.820 2.484 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.400 3.272 -7.755 1.00 0.00 H new ATOM 102 N PRO A 10 -13.506 6.128 -6.520 1.00 0.00 N ATOM 103 CA PRO A 10 -12.535 7.148 -6.928 1.00 0.00 C ATOM 104 C PRO A 10 -12.074 6.967 -8.370 1.00 0.00 C ATOM 105 O PRO A 10 -11.446 7.855 -8.947 1.00 0.00 O ATOM 106 CB PRO A 10 -11.367 6.931 -5.962 1.00 0.00 C ATOM 107 CG PRO A 10 -11.474 5.503 -5.553 1.00 0.00 C ATOM 108 CD PRO A 10 -12.944 5.186 -5.539 1.00 0.00 C ATOM 0 HA PRO A 10 -12.958 8.152 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.411 7.134 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.437 7.596 -5.101 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.942 4.856 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.031 5.344 -4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.134 4.151 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.377 5.331 -4.549 1.00 0.00 H new ATOM 116 N ILE A 11 -12.391 5.812 -8.947 1.00 0.00 N ATOM 117 CA ILE A 11 -12.011 5.517 -10.323 1.00 0.00 C ATOM 118 C ILE A 11 -13.112 5.923 -11.296 1.00 0.00 C ATOM 119 O ILE A 11 -12.837 6.318 -12.429 1.00 0.00 O ATOM 120 CB ILE A 11 -11.701 4.020 -10.511 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.619 3.573 -9.526 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.266 3.746 -11.943 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.238 4.081 -9.873 1.00 0.00 C ATOM 0 H ILE A 11 -12.910 5.066 -8.483 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.112 6.096 -10.534 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.607 3.448 -10.310 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.884 3.919 -8.527 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.598 2.484 -9.491 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.050 2.684 -12.061 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.065 4.032 -12.627 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.371 4.325 -12.168 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.522 3.725 -9.132 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.952 3.714 -10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.242 5.171 -9.879 1.00 0.00 H new ATOM 135 N GLN A 12 -14.359 5.825 -10.846 1.00 0.00 N ATOM 136 CA GLN A 12 -15.501 6.183 -11.678 1.00 0.00 C ATOM 137 C GLN A 12 -15.765 7.685 -11.623 1.00 0.00 C ATOM 138 O GLN A 12 -16.309 8.265 -12.563 1.00 0.00 O ATOM 139 CB GLN A 12 -16.747 5.418 -11.229 1.00 0.00 C ATOM 140 CG GLN A 12 -16.794 3.984 -11.732 1.00 0.00 C ATOM 141 CD GLN A 12 -16.292 3.849 -13.156 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.948 4.286 -14.102 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.122 3.241 -13.316 1.00 0.00 N ATOM 0 H GLN A 12 -14.604 5.501 -9.910 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.268 5.910 -12.707 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.788 5.414 -10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.634 5.946 -11.579 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.193 3.353 -11.077 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.819 3.616 -11.675 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.612 2.894 -12.503 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.733 3.121 -14.251 1.00 0.00 H new ATOM 152 N VAL A 13 -15.376 8.308 -10.515 1.00 0.00 N ATOM 153 CA VAL A 13 -15.570 9.742 -10.338 1.00 0.00 C ATOM 154 C VAL A 13 -14.511 10.538 -11.092 1.00 0.00 C ATOM 155 O VAL A 13 -14.829 11.328 -11.982 1.00 0.00 O ATOM 156 CB VAL A 13 -15.527 10.134 -8.849 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.720 11.634 -8.685 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.578 9.364 -8.065 1.00 0.00 C ATOM 0 H VAL A 13 -14.925 7.843 -9.727 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.554 9.980 -10.741 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.546 9.873 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.687 11.892 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.926 12.163 -9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.686 11.924 -9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.533 9.653 -7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.567 9.591 -8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.388 8.294 -8.155 1.00 0.00 H new ATOM 168 N LEU A 14 -13.250 10.324 -10.732 1.00 0.00 N ATOM 169 CA LEU A 14 -12.142 11.021 -11.376 1.00 0.00 C ATOM 170 C LEU A 14 -12.290 10.995 -12.893 1.00 0.00 C ATOM 171 O LEU A 14 -12.433 12.038 -13.532 1.00 0.00 O ATOM 172 CB LEU A 14 -10.810 10.385 -10.971 1.00 0.00 C ATOM 173 CG LEU A 14 -9.601 11.321 -10.942 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.309 10.522 -10.877 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.605 12.235 -12.158 1.00 0.00 C ATOM 0 H LEU A 14 -12.970 9.674 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.158 12.060 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.927 9.944 -9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.596 9.568 -11.660 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.666 11.940 -10.047 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.460 11.205 -10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.304 9.911 -9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.236 9.877 -11.753 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.738 12.894 -12.121 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.564 11.633 -13.066 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.516 12.834 -12.160 1.00 0.00 H new ATOM 187 N HIS A 15 -12.257 9.795 -13.466 1.00 0.00 N ATOM 188 CA HIS A 15 -12.391 9.633 -14.909 1.00 0.00 C ATOM 189 C HIS A 15 -13.619 10.375 -15.428 1.00 0.00 C ATOM 190 O HIS A 15 -13.499 11.398 -16.101 1.00 0.00 O ATOM 191 CB HIS A 15 -12.486 8.151 -15.270 1.00 0.00 C ATOM 192 CG HIS A 15 -12.490 7.893 -16.746 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.406 8.152 -17.558 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.454 7.394 -17.555 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.704 7.825 -18.803 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.940 7.362 -18.828 1.00 0.00 N ATOM 0 H HIS A 15 -12.139 8.922 -12.953 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.505 10.058 -15.381 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.647 7.621 -14.819 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.395 7.737 -14.835 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.443 7.080 -17.255 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.048 7.920 -19.655 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.433 7.034 -19.658 1.00 0.00 H new ATOM 204 N GLU A 16 -14.799 9.851 -15.110 1.00 0.00 N ATOM 205 CA GLU A 16 -16.048 10.464 -15.546 1.00 0.00 C ATOM 206 C GLU A 16 -15.948 11.986 -15.513 1.00 0.00 C ATOM 207 O GLU A 16 -16.455 12.672 -16.401 1.00 0.00 O ATOM 208 CB GLU A 16 -17.206 9.999 -14.660 1.00 0.00 C ATOM 209 CG GLU A 16 -17.626 8.560 -14.912 1.00 0.00 C ATOM 210 CD GLU A 16 -18.819 8.145 -14.075 1.00 0.00 C ATOM 211 OE1 GLU A 16 -18.696 8.129 -12.832 1.00 0.00 O ATOM 212 OE2 GLU A 16 -19.877 7.836 -14.662 1.00 0.00 O ATOM 0 H GLU A 16 -14.916 9.005 -14.553 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.237 10.152 -16.573 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.918 10.107 -13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.063 10.653 -14.824 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.867 8.436 -15.968 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.788 7.898 -14.696 1.00 0.00 H new ATOM 219 N TYR A 17 -15.291 12.508 -14.483 1.00 0.00 N ATOM 220 CA TYR A 17 -15.127 13.949 -14.331 1.00 0.00 C ATOM 221 C TYR A 17 -14.198 14.507 -15.405 1.00 0.00 C ATOM 222 O TYR A 17 -14.517 15.494 -16.066 1.00 0.00 O ATOM 223 CB TYR A 17 -14.575 14.277 -12.943 1.00 0.00 C ATOM 224 CG TYR A 17 -13.828 15.590 -12.883 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.503 16.801 -12.973 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.446 15.619 -12.737 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.823 18.003 -12.919 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.759 16.816 -12.682 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.452 18.005 -12.774 1.00 0.00 C ATOM 230 OH TYR A 17 -11.772 19.200 -12.719 1.00 0.00 O ATOM 0 H TYR A 17 -14.863 11.954 -13.741 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.106 14.415 -14.445 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.400 14.305 -12.231 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.908 13.475 -12.627 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.577 16.803 -13.087 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.900 14.690 -12.665 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.363 18.936 -12.990 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.685 16.821 -12.568 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.412 19.942 -12.733 1.00 0.00 H new ATOM 240 N GLY A 18 -13.045 13.865 -15.573 1.00 0.00 N ATOM 241 CA GLY A 18 -12.086 14.310 -16.567 1.00 0.00 C ATOM 242 C GLY A 18 -12.750 14.745 -17.859 1.00 0.00 C ATOM 243 O GLY A 18 -12.323 15.712 -18.489 1.00 0.00 O ATOM 0 H GLY A 18 -12.759 13.045 -15.038 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.507 15.140 -16.162 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.384 13.503 -16.777 1.00 0.00 H new ATOM 247 N MET A 19 -13.797 14.028 -18.255 1.00 0.00 N ATOM 248 CA MET A 19 -14.521 14.346 -19.480 1.00 0.00 C ATOM 249 C MET A 19 -14.983 15.799 -19.478 1.00 0.00 C ATOM 250 O MET A 19 -14.746 16.539 -20.433 1.00 0.00 O ATOM 251 CB MET A 19 -15.725 13.416 -19.643 1.00 0.00 C ATOM 252 CG MET A 19 -15.350 11.944 -19.717 1.00 0.00 C ATOM 253 SD MET A 19 -16.782 10.856 -19.589 1.00 0.00 S ATOM 254 CE MET A 19 -15.982 9.269 -19.368 1.00 0.00 C ATOM 0 H MET A 19 -14.163 13.223 -17.746 1.00 0.00 H new ATOM 0 HA MET A 19 -13.842 14.201 -20.321 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.407 13.567 -18.806 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.266 13.691 -20.548 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.835 11.751 -20.658 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.649 11.711 -18.916 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.622 8.619 -18.771 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.807 8.811 -20.342 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.029 9.410 -18.857 1.00 0.00 H new ATOM 264 N LYS A 20 -15.644 16.203 -18.398 1.00 0.00 N ATOM 265 CA LYS A 20 -16.139 17.569 -18.270 1.00 0.00 C ATOM 266 C LYS A 20 -15.025 18.578 -18.529 1.00 0.00 C ATOM 267 O LYS A 20 -15.199 19.530 -19.291 1.00 0.00 O ATOM 268 CB LYS A 20 -16.729 17.791 -16.876 1.00 0.00 C ATOM 269 CG LYS A 20 -18.211 17.471 -16.784 1.00 0.00 C ATOM 270 CD LYS A 20 -18.447 15.998 -16.494 1.00 0.00 C ATOM 271 CE LYS A 20 -18.189 15.670 -15.031 1.00 0.00 C ATOM 272 NZ LYS A 20 -19.333 16.064 -14.164 1.00 0.00 N ATOM 0 H LYS A 20 -15.849 15.604 -17.599 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.920 17.717 -19.016 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.188 17.174 -16.159 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.572 18.830 -16.585 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.666 18.075 -15.999 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.701 17.742 -17.719 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.473 15.735 -16.752 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.795 15.393 -17.124 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.005 14.601 -14.926 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.287 16.183 -14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.118 15.824 -13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.493 17.088 -14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.188 15.555 -14.466 1.00 0.00 H new ATOM 286 N THR A 21 -13.878 18.364 -17.890 1.00 0.00 N ATOM 287 CA THR A 21 -12.736 19.254 -18.052 1.00 0.00 C ATOM 288 C THR A 21 -11.918 18.882 -19.283 1.00 0.00 C ATOM 289 O THR A 21 -10.712 19.123 -19.336 1.00 0.00 O ATOM 290 CB THR A 21 -11.821 19.223 -16.813 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.425 17.877 -16.530 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.528 19.814 -15.603 1.00 0.00 C ATOM 0 H THR A 21 -13.716 17.582 -17.256 1.00 0.00 H new ATOM 0 HA THR A 21 -13.135 20.261 -18.176 1.00 0.00 H new ATOM 0 HB THR A 21 -10.937 19.824 -17.027 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.732 17.287 -17.250 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.862 19.781 -14.741 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.802 20.848 -15.811 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.427 19.237 -15.389 1.00 0.00 H new ATOM 300 N LYS A 22 -12.582 18.294 -20.273 1.00 0.00 N ATOM 301 CA LYS A 22 -11.917 17.889 -21.506 1.00 0.00 C ATOM 302 C LYS A 22 -10.536 17.312 -21.215 1.00 0.00 C ATOM 303 O LYS A 22 -9.638 17.376 -22.054 1.00 0.00 O ATOM 304 CB LYS A 22 -11.794 19.082 -22.457 1.00 0.00 C ATOM 305 CG LYS A 22 -13.122 19.745 -22.777 1.00 0.00 C ATOM 306 CD LYS A 22 -13.999 18.850 -23.637 1.00 0.00 C ATOM 307 CE LYS A 22 -15.114 19.639 -24.307 1.00 0.00 C ATOM 308 NZ LYS A 22 -14.640 20.333 -25.537 1.00 0.00 N ATOM 0 H LYS A 22 -13.580 18.087 -20.245 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.521 17.115 -21.979 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.126 19.821 -22.015 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.331 18.749 -23.386 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.643 19.984 -21.850 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.944 20.687 -23.295 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.389 18.363 -24.398 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.430 18.061 -23.021 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.933 18.966 -24.562 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.512 20.373 -23.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.429 20.859 -25.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.876 20.994 -25.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.284 19.631 -26.217 1.00 0.00 H new ATOM 322 N ASN A 23 -10.374 16.747 -20.023 1.00 0.00 N ATOM 323 CA ASN A 23 -9.102 16.158 -19.623 1.00 0.00 C ATOM 324 C ASN A 23 -9.319 14.827 -18.909 1.00 0.00 C ATOM 325 O ASN A 23 -9.853 14.786 -17.800 1.00 0.00 O ATOM 326 CB ASN A 23 -8.334 17.118 -18.713 1.00 0.00 C ATOM 327 CG ASN A 23 -8.109 18.472 -19.358 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.769 18.560 -20.538 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.299 19.535 -18.585 1.00 0.00 N ATOM 0 H ASN A 23 -11.108 16.685 -19.317 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.516 15.976 -20.524 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.884 17.250 -17.781 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.371 16.677 -18.455 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.163 20.472 -18.964 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.581 19.414 -17.612 1.00 0.00 H new ATOM 336 N ILE A 24 -8.903 13.741 -19.552 1.00 0.00 N ATOM 337 CA ILE A 24 -9.051 12.410 -18.978 1.00 0.00 C ATOM 338 C ILE A 24 -7.810 12.012 -18.186 1.00 0.00 C ATOM 339 O ILE A 24 -6.676 12.242 -18.605 1.00 0.00 O ATOM 340 CB ILE A 24 -9.312 11.353 -20.067 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.534 11.740 -20.902 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.506 9.981 -19.439 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.761 12.045 -20.072 1.00 0.00 C ATOM 0 H ILE A 24 -8.461 13.757 -20.471 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.910 12.449 -18.308 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.444 11.310 -20.725 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.289 12.613 -21.507 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.765 10.928 -21.592 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.689 9.245 -20.222 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.609 9.705 -18.884 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.358 10.009 -18.760 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.588 12.312 -20.730 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.032 11.166 -19.486 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.549 12.877 -19.401 1.00 0.00 H new ATOM 355 N PRO A 25 -8.028 11.398 -17.014 1.00 0.00 N ATOM 356 CA PRO A 25 -6.940 10.952 -16.139 1.00 0.00 C ATOM 357 C PRO A 25 -6.171 9.773 -16.725 1.00 0.00 C ATOM 358 O PRO A 25 -6.701 8.668 -16.839 1.00 0.00 O ATOM 359 CB PRO A 25 -7.664 10.534 -14.857 1.00 0.00 C ATOM 360 CG PRO A 25 -9.042 10.179 -15.298 1.00 0.00 C ATOM 361 CD PRO A 25 -9.355 11.091 -16.452 1.00 0.00 C ATOM 0 HA PRO A 25 -6.193 11.731 -15.988 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.170 9.687 -14.382 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.678 11.344 -14.128 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.098 9.133 -15.601 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.758 10.315 -14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.999 10.605 -17.185 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.871 11.993 -16.123 1.00 0.00 H new ATOM 369 N VAL A 26 -4.918 10.015 -17.096 1.00 0.00 N ATOM 370 CA VAL A 26 -4.075 8.972 -17.669 1.00 0.00 C ATOM 371 C VAL A 26 -3.485 8.082 -16.581 1.00 0.00 C ATOM 372 O VAL A 26 -3.249 8.530 -15.458 1.00 0.00 O ATOM 373 CB VAL A 26 -2.928 9.573 -18.503 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.473 10.550 -19.535 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.911 10.252 -17.599 1.00 0.00 C ATOM 0 H VAL A 26 -4.464 10.924 -17.010 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.712 8.372 -18.319 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.425 8.764 -19.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.648 10.965 -20.115 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.160 10.029 -20.202 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.002 11.357 -19.028 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.108 10.671 -18.205 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.398 11.051 -17.039 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.498 9.522 -16.903 1.00 0.00 H new ATOM 385 N TYR A 27 -3.249 6.820 -16.920 1.00 0.00 N ATOM 386 CA TYR A 27 -2.688 5.866 -15.971 1.00 0.00 C ATOM 387 C TYR A 27 -1.544 5.078 -16.603 1.00 0.00 C ATOM 388 O TYR A 27 -1.734 4.379 -17.598 1.00 0.00 O ATOM 389 CB TYR A 27 -3.773 4.906 -15.479 1.00 0.00 C ATOM 390 CG TYR A 27 -4.834 5.574 -14.634 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.831 6.346 -15.217 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.840 5.431 -13.252 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.801 6.958 -14.448 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.807 6.039 -12.475 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.786 6.801 -13.078 1.00 0.00 C ATOM 396 OH TYR A 27 -7.752 7.408 -12.308 1.00 0.00 O ATOM 0 H TYR A 27 -3.437 6.434 -17.845 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.295 6.425 -15.122 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.249 4.436 -16.340 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.306 4.110 -14.899 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.848 6.470 -16.290 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.075 4.834 -12.777 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.568 7.557 -14.917 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.797 5.918 -11.402 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.615 6.970 -12.461 1.00 0.00 H new ATOM 406 N GLU A 28 -0.358 5.196 -16.016 1.00 0.00 N ATOM 407 CA GLU A 28 0.817 4.495 -16.521 1.00 0.00 C ATOM 408 C GLU A 28 1.615 3.877 -15.376 1.00 0.00 C ATOM 409 O GLU A 28 1.755 4.475 -14.309 1.00 0.00 O ATOM 410 CB GLU A 28 1.706 5.452 -17.318 1.00 0.00 C ATOM 411 CG GLU A 28 1.396 5.473 -18.806 1.00 0.00 C ATOM 412 CD GLU A 28 2.238 6.482 -19.562 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.434 7.600 -19.043 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.701 6.152 -20.674 1.00 0.00 O ATOM 0 H GLU A 28 -0.185 5.770 -15.191 1.00 0.00 H new ATOM 0 HA GLU A 28 0.477 3.695 -17.178 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.592 6.459 -16.917 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.749 5.169 -17.177 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.564 4.480 -19.223 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.341 5.705 -18.950 1.00 0.00 H new ATOM 421 N CYS A 29 2.135 2.676 -15.607 1.00 0.00 N ATOM 422 CA CYS A 29 2.919 1.975 -14.596 1.00 0.00 C ATOM 423 C CYS A 29 4.398 2.325 -14.715 1.00 0.00 C ATOM 424 O CYS A 29 5.019 2.093 -15.752 1.00 0.00 O ATOM 425 CB CYS A 29 2.727 0.464 -14.730 1.00 0.00 C ATOM 426 SG CYS A 29 3.178 -0.197 -16.352 1.00 0.00 S ATOM 0 H CYS A 29 2.028 2.168 -16.485 1.00 0.00 H new ATOM 0 HA CYS A 29 2.568 2.293 -13.614 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.324 -0.036 -13.967 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.684 0.222 -14.528 1.00 0.00 H new ATOM 0 HG CYS A 29 4.173 0.485 -16.837 1.00 0.00 H new ATOM 432 N GLU A 30 4.957 2.886 -13.647 1.00 0.00 N ATOM 433 CA GLU A 30 6.363 3.270 -13.634 1.00 0.00 C ATOM 434 C GLU A 30 7.232 2.137 -13.095 1.00 0.00 C ATOM 435 O GLU A 30 8.096 1.614 -13.799 1.00 0.00 O ATOM 436 CB GLU A 30 6.563 4.528 -12.786 1.00 0.00 C ATOM 437 CG GLU A 30 6.056 5.797 -13.451 1.00 0.00 C ATOM 438 CD GLU A 30 6.772 6.099 -14.753 1.00 0.00 C ATOM 439 OE1 GLU A 30 8.013 6.231 -14.731 1.00 0.00 O ATOM 440 OE2 GLU A 30 6.090 6.204 -15.795 1.00 0.00 O ATOM 0 H GLU A 30 4.457 3.084 -12.780 1.00 0.00 H new ATOM 0 HA GLU A 30 6.665 3.480 -14.660 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.051 4.398 -11.832 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.624 4.642 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.987 5.700 -13.642 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.183 6.637 -12.768 1.00 0.00 H new ATOM 447 N ARG A 31 6.995 1.763 -11.842 1.00 0.00 N ATOM 448 CA ARG A 31 7.756 0.693 -11.207 1.00 0.00 C ATOM 449 C ARG A 31 6.893 -0.550 -11.018 1.00 0.00 C ATOM 450 O ARG A 31 5.812 -0.484 -10.432 1.00 0.00 O ATOM 451 CB ARG A 31 8.302 1.159 -9.856 1.00 0.00 C ATOM 452 CG ARG A 31 9.035 0.072 -9.088 1.00 0.00 C ATOM 453 CD ARG A 31 10.447 -0.129 -9.617 1.00 0.00 C ATOM 454 NE ARG A 31 11.315 1.004 -9.305 1.00 0.00 N ATOM 455 CZ ARG A 31 11.873 1.196 -8.115 1.00 0.00 C ATOM 456 NH1 ARG A 31 11.655 0.335 -7.130 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.651 2.250 -7.908 1.00 0.00 N ATOM 0 H ARG A 31 6.282 2.185 -11.246 1.00 0.00 H new ATOM 0 HA ARG A 31 8.591 0.438 -11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.979 1.998 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.476 1.528 -9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.075 0.336 -8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.481 -0.864 -9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.869 -1.038 -9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.412 -0.273 -10.697 1.00 0.00 H new ATOM 0 HE ARG A 31 11.503 1.685 -10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.058 -0.477 -7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.085 0.485 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.821 2.914 -8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.079 2.396 -6.994 1.00 0.00 H new ATOM 471 N SER A 32 7.377 -1.683 -11.518 1.00 0.00 N ATOM 472 CA SER A 32 6.647 -2.940 -11.408 1.00 0.00 C ATOM 473 C SER A 32 7.526 -4.026 -10.795 1.00 0.00 C ATOM 474 O SER A 32 8.307 -4.675 -11.492 1.00 0.00 O ATOM 475 CB SER A 32 6.149 -3.388 -12.783 1.00 0.00 C ATOM 476 OG SER A 32 7.205 -3.403 -13.728 1.00 0.00 O ATOM 0 H SER A 32 8.271 -1.756 -12.003 1.00 0.00 H new ATOM 0 HA SER A 32 5.790 -2.778 -10.755 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.710 -4.383 -12.708 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.361 -2.717 -13.124 1.00 0.00 H new ATOM 0 HG SER A 32 8.009 -3.781 -13.314 1.00 0.00 H new ATOM 482 N ASP A 33 7.393 -4.218 -9.487 1.00 0.00 N ATOM 483 CA ASP A 33 8.174 -5.225 -8.779 1.00 0.00 C ATOM 484 C ASP A 33 7.328 -6.460 -8.483 1.00 0.00 C ATOM 485 O ASP A 33 6.370 -6.399 -7.712 1.00 0.00 O ATOM 486 CB ASP A 33 8.729 -4.648 -7.476 1.00 0.00 C ATOM 487 CG ASP A 33 10.055 -3.940 -7.674 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.780 -4.295 -8.627 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.366 -3.031 -6.877 1.00 0.00 O ATOM 0 H ASP A 33 6.752 -3.689 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 33 9.005 -5.521 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.007 -3.949 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.855 -5.452 -6.751 1.00 0.00 H new ATOM 494 N VAL A 34 7.687 -7.580 -9.103 1.00 0.00 N ATOM 495 CA VAL A 34 6.961 -8.829 -8.907 1.00 0.00 C ATOM 496 C VAL A 34 7.783 -9.820 -8.091 1.00 0.00 C ATOM 497 O VAL A 34 8.652 -10.508 -8.625 1.00 0.00 O ATOM 498 CB VAL A 34 6.585 -9.476 -10.253 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.565 -8.622 -10.990 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.826 -9.693 -11.105 1.00 0.00 C ATOM 0 H VAL A 34 8.476 -7.648 -9.745 1.00 0.00 H new ATOM 0 HA VAL A 34 6.049 -8.583 -8.363 1.00 0.00 H new ATOM 0 HB VAL A 34 6.134 -10.448 -10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.312 -9.095 -11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.666 -8.524 -10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.986 -7.634 -11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.541 -10.151 -12.052 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.309 -8.734 -11.296 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.519 -10.349 -10.578 1.00 0.00 H new ATOM 510 N GLN A 35 7.502 -9.887 -6.794 1.00 0.00 N ATOM 511 CA GLN A 35 8.217 -10.794 -5.903 1.00 0.00 C ATOM 512 C GLN A 35 7.245 -11.704 -5.160 1.00 0.00 C ATOM 513 O GLN A 35 7.483 -12.905 -5.024 1.00 0.00 O ATOM 514 CB GLN A 35 9.060 -10.002 -4.903 1.00 0.00 C ATOM 515 CG GLN A 35 10.091 -9.097 -5.557 1.00 0.00 C ATOM 516 CD GLN A 35 10.710 -8.116 -4.582 1.00 0.00 C ATOM 517 OE1 GLN A 35 10.109 -7.095 -4.246 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.917 -8.420 -4.121 1.00 0.00 N ATOM 0 H GLN A 35 6.785 -9.324 -6.336 1.00 0.00 H new ATOM 0 HA GLN A 35 8.876 -11.415 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.399 -9.397 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.570 -10.699 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.877 -9.709 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.620 -8.546 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.379 -9.277 -4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.383 -7.797 -3.461 1.00 0.00 H new ATOM 527 N ILE A 36 6.150 -11.125 -4.679 1.00 0.00 N ATOM 528 CA ILE A 36 5.142 -11.885 -3.950 1.00 0.00 C ATOM 529 C ILE A 36 3.838 -11.965 -4.736 1.00 0.00 C ATOM 530 O ILE A 36 3.682 -11.313 -5.769 1.00 0.00 O ATOM 531 CB ILE A 36 4.858 -11.263 -2.569 1.00 0.00 C ATOM 532 CG1 ILE A 36 4.035 -9.982 -2.722 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.161 -10.977 -1.839 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.808 -8.837 -3.338 1.00 0.00 C ATOM 0 H ILE A 36 5.938 -10.132 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 36 5.543 -12.889 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 36 4.282 -11.975 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.161 -10.193 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.668 -9.676 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.944 -10.538 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.713 -11.907 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.761 -10.281 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.162 -7.962 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.667 -8.599 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.152 -9.123 -4.332 1.00 0.00 H new ATOM 546 N HIS A 37 2.902 -12.769 -4.240 1.00 0.00 N ATOM 547 CA HIS A 37 1.610 -12.933 -4.895 1.00 0.00 C ATOM 548 C HIS A 37 1.086 -11.594 -5.407 1.00 0.00 C ATOM 549 O HIS A 37 0.712 -11.467 -6.573 1.00 0.00 O ATOM 550 CB HIS A 37 0.600 -13.554 -3.930 1.00 0.00 C ATOM 551 CG HIS A 37 0.223 -12.651 -2.795 1.00 0.00 C ATOM 552 ND1 HIS A 37 1.098 -12.303 -1.788 1.00 0.00 N ATOM 553 CD2 HIS A 37 -0.942 -12.023 -2.514 1.00 0.00 C ATOM 554 CE1 HIS A 37 0.486 -11.502 -0.934 1.00 0.00 C ATOM 555 NE2 HIS A 37 -0.753 -11.315 -1.352 1.00 0.00 N ATOM 0 H HIS A 37 3.015 -13.317 -3.387 1.00 0.00 H new ATOM 0 HA HIS A 37 1.745 -13.600 -5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.300 -13.824 -4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.016 -14.477 -3.526 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.851 -12.070 -3.095 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.924 -11.073 -0.045 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.455 -10.739 -0.888 1.00 0.00 H new ATOM 563 N VAL A 38 1.061 -10.599 -4.526 1.00 0.00 N ATOM 564 CA VAL A 38 0.583 -9.269 -4.888 1.00 0.00 C ATOM 565 C VAL A 38 1.747 -8.318 -5.142 1.00 0.00 C ATOM 566 O VAL A 38 2.356 -7.781 -4.217 1.00 0.00 O ATOM 567 CB VAL A 38 -0.319 -8.678 -3.788 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.464 -8.494 -2.498 1.00 0.00 C ATOM 569 CG2 VAL A 38 -0.924 -7.360 -4.248 1.00 0.00 C ATOM 0 H VAL A 38 1.366 -10.688 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 38 0.001 -9.379 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.133 -9.377 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.189 -8.076 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.845 -9.459 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.299 -7.816 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.558 -6.956 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.126 -6.651 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.521 -7.527 -5.144 1.00 0.00 H new ATOM 579 N PRO A 39 2.064 -8.101 -6.428 1.00 0.00 N ATOM 580 CA PRO A 39 3.156 -7.212 -6.834 1.00 0.00 C ATOM 581 C PRO A 39 2.841 -5.745 -6.562 1.00 0.00 C ATOM 582 O PRO A 39 1.855 -5.423 -5.898 1.00 0.00 O ATOM 583 CB PRO A 39 3.276 -7.463 -8.339 1.00 0.00 C ATOM 584 CG PRO A 39 1.926 -7.937 -8.753 1.00 0.00 C ATOM 585 CD PRO A 39 1.380 -8.706 -7.583 1.00 0.00 C ATOM 0 HA PRO A 39 4.073 -7.413 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.557 -6.554 -8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.041 -8.208 -8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.278 -7.097 -9.005 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.989 -8.568 -9.640 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.297 -8.606 -7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.597 -9.771 -7.666 1.00 0.00 H new ATOM 593 N THR A 40 3.684 -4.857 -7.080 1.00 0.00 N ATOM 594 CA THR A 40 3.496 -3.424 -6.893 1.00 0.00 C ATOM 595 C THR A 40 3.557 -2.683 -8.224 1.00 0.00 C ATOM 596 O THR A 40 4.536 -2.793 -8.963 1.00 0.00 O ATOM 597 CB THR A 40 4.557 -2.838 -5.943 1.00 0.00 C ATOM 598 OG1 THR A 40 5.870 -3.142 -6.427 1.00 0.00 O ATOM 599 CG2 THR A 40 4.389 -3.392 -4.536 1.00 0.00 C ATOM 0 H THR A 40 4.504 -5.106 -7.633 1.00 0.00 H new ATOM 0 HA THR A 40 2.509 -3.290 -6.451 1.00 0.00 H new ATOM 0 HB THR A 40 4.424 -1.757 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.910 -2.976 -7.392 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.150 -2.964 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.400 -3.133 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.497 -4.476 -4.557 1.00 0.00 H new ATOM 607 N PHE A 41 2.506 -1.927 -8.523 1.00 0.00 N ATOM 608 CA PHE A 41 2.440 -1.167 -9.766 1.00 0.00 C ATOM 609 C PHE A 41 2.172 0.309 -9.488 1.00 0.00 C ATOM 610 O PHE A 41 1.095 0.679 -9.017 1.00 0.00 O ATOM 611 CB PHE A 41 1.349 -1.733 -10.677 1.00 0.00 C ATOM 612 CG PHE A 41 1.709 -3.053 -11.297 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.906 -4.173 -10.507 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.852 -3.172 -12.670 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.238 -5.389 -11.075 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.183 -4.385 -13.243 1.00 0.00 C ATOM 617 CZ PHE A 41 2.378 -5.495 -12.444 1.00 0.00 C ATOM 0 H PHE A 41 1.688 -1.824 -7.922 1.00 0.00 H new ATOM 0 HA PHE A 41 3.404 -1.254 -10.268 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.431 -1.850 -10.101 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.139 -1.014 -11.469 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.799 -4.096 -9.435 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.703 -2.307 -13.299 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.388 -6.255 -10.448 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.289 -4.465 -14.315 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.639 -6.443 -12.890 1.00 0.00 H new ATOM 627 N THR A 42 3.159 1.149 -9.782 1.00 0.00 N ATOM 628 CA THR A 42 3.032 2.584 -9.562 1.00 0.00 C ATOM 629 C THR A 42 2.300 3.255 -10.719 1.00 0.00 C ATOM 630 O THR A 42 2.870 3.462 -11.791 1.00 0.00 O ATOM 631 CB THR A 42 4.409 3.250 -9.386 1.00 0.00 C ATOM 632 OG1 THR A 42 5.115 2.637 -8.302 1.00 0.00 O ATOM 633 CG2 THR A 42 4.260 4.741 -9.122 1.00 0.00 C ATOM 0 H THR A 42 4.056 0.860 -10.173 1.00 0.00 H new ATOM 0 HA THR A 42 2.455 2.713 -8.646 1.00 0.00 H new ATOM 0 HB THR A 42 4.973 3.115 -10.309 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.990 3.065 -8.198 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.246 5.189 -9.001 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.749 5.210 -9.963 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.678 4.893 -8.213 1.00 0.00 H new ATOM 641 N PHE A 43 1.034 3.593 -10.496 1.00 0.00 N ATOM 642 CA PHE A 43 0.224 4.241 -11.521 1.00 0.00 C ATOM 643 C PHE A 43 0.257 5.758 -11.363 1.00 0.00 C ATOM 644 O PHE A 43 -0.117 6.292 -10.318 1.00 0.00 O ATOM 645 CB PHE A 43 -1.221 3.741 -11.451 1.00 0.00 C ATOM 646 CG PHE A 43 -1.480 2.534 -12.306 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.396 2.617 -13.687 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.806 1.317 -11.730 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.635 1.508 -14.477 1.00 0.00 C ATOM 650 CE2 PHE A 43 -2.045 0.204 -12.515 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.959 0.300 -13.890 1.00 0.00 C ATOM 0 H PHE A 43 0.547 3.429 -9.615 1.00 0.00 H new ATOM 0 HA PHE A 43 0.643 3.986 -12.494 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.464 3.502 -10.416 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.890 4.544 -11.759 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.141 3.558 -14.151 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.874 1.237 -10.655 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.568 1.586 -15.552 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.299 -0.739 -12.054 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.145 -0.568 -14.505 1.00 0.00 H new ATOM 661 N ARG A 44 0.709 6.446 -12.406 1.00 0.00 N ATOM 662 CA ARG A 44 0.793 7.901 -12.383 1.00 0.00 C ATOM 663 C ARG A 44 -0.454 8.528 -13.000 1.00 0.00 C ATOM 664 O ARG A 44 -0.780 8.274 -14.160 1.00 0.00 O ATOM 665 CB ARG A 44 2.040 8.373 -13.134 1.00 0.00 C ATOM 666 CG ARG A 44 2.321 9.858 -12.975 1.00 0.00 C ATOM 667 CD ARG A 44 3.704 10.222 -13.492 1.00 0.00 C ATOM 668 NE ARG A 44 4.764 9.620 -12.688 1.00 0.00 N ATOM 669 CZ ARG A 44 6.038 9.989 -12.757 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.408 10.954 -13.588 1.00 0.00 N ATOM 671 NH2 ARG A 44 6.946 9.393 -11.994 1.00 0.00 N ATOM 0 H ARG A 44 1.023 6.019 -13.278 1.00 0.00 H new ATOM 0 HA ARG A 44 0.861 8.220 -11.343 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.903 7.809 -12.780 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.924 8.145 -14.194 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.567 10.432 -13.514 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.240 10.134 -11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.802 9.893 -14.527 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.818 11.306 -13.490 1.00 0.00 H new ATOM 0 HE ARG A 44 4.512 8.875 -12.038 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.714 11.415 -14.176 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.387 11.236 -13.639 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.666 8.650 -11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.924 9.678 -12.048 1.00 0.00 H new ATOM 685 N VAL A 45 -1.147 9.348 -12.217 1.00 0.00 N ATOM 686 CA VAL A 45 -2.357 10.012 -12.686 1.00 0.00 C ATOM 687 C VAL A 45 -2.084 11.470 -13.038 1.00 0.00 C ATOM 688 O VAL A 45 -1.664 12.257 -12.189 1.00 0.00 O ATOM 689 CB VAL A 45 -3.476 9.952 -11.629 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.265 11.019 -10.566 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.839 10.106 -12.287 1.00 0.00 C ATOM 0 H VAL A 45 -0.891 9.569 -11.255 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.682 9.480 -13.580 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.440 8.977 -11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.065 10.961 -9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.306 10.858 -10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.273 12.004 -11.033 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.618 10.061 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.889 11.066 -12.801 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.989 9.301 -13.007 1.00 0.00 H new ATOM 701 N THR A 46 -2.324 11.825 -14.296 1.00 0.00 N ATOM 702 CA THR A 46 -2.103 13.188 -14.762 1.00 0.00 C ATOM 703 C THR A 46 -3.402 13.820 -15.249 1.00 0.00 C ATOM 704 O THR A 46 -3.948 13.425 -16.280 1.00 0.00 O ATOM 705 CB THR A 46 -1.066 13.232 -15.899 1.00 0.00 C ATOM 706 OG1 THR A 46 0.153 12.611 -15.475 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.789 14.666 -16.324 1.00 0.00 C ATOM 0 H THR A 46 -2.672 11.186 -15.011 1.00 0.00 H new ATOM 0 HA THR A 46 -1.723 13.755 -13.912 1.00 0.00 H new ATOM 0 HB THR A 46 -1.472 12.689 -16.752 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.807 12.642 -16.204 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.053 14.671 -17.128 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.713 15.127 -16.674 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.402 15.229 -15.475 1.00 0.00 H new ATOM 715 N VAL A 47 -3.893 14.804 -14.503 1.00 0.00 N ATOM 716 CA VAL A 47 -5.128 15.492 -14.861 1.00 0.00 C ATOM 717 C VAL A 47 -4.900 16.993 -14.998 1.00 0.00 C ATOM 718 O VAL A 47 -4.775 17.707 -14.004 1.00 0.00 O ATOM 719 CB VAL A 47 -6.231 15.245 -13.815 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.463 16.080 -14.131 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.581 13.766 -13.750 1.00 0.00 C ATOM 0 H VAL A 47 -3.455 15.143 -13.647 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.450 15.087 -15.820 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.856 15.550 -12.838 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.232 15.892 -13.381 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.198 17.137 -14.122 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.843 15.809 -15.116 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.362 13.609 -13.006 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.937 13.433 -14.725 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.695 13.194 -13.472 1.00 0.00 H new ATOM 731 N GLY A 48 -4.847 17.467 -16.240 1.00 0.00 N ATOM 732 CA GLY A 48 -4.635 18.882 -16.485 1.00 0.00 C ATOM 733 C GLY A 48 -3.268 19.351 -16.028 1.00 0.00 C ATOM 734 O GLY A 48 -2.292 19.264 -16.773 1.00 0.00 O ATOM 0 H GLY A 48 -4.947 16.897 -17.080 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.748 19.084 -17.550 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.404 19.456 -15.969 1.00 0.00 H new ATOM 738 N ASP A 49 -3.197 19.851 -14.799 1.00 0.00 N ATOM 739 CA ASP A 49 -1.939 20.337 -14.243 1.00 0.00 C ATOM 740 C ASP A 49 -1.518 19.500 -13.039 1.00 0.00 C ATOM 741 O ASP A 49 -0.345 19.478 -12.666 1.00 0.00 O ATOM 742 CB ASP A 49 -2.070 21.806 -13.838 1.00 0.00 C ATOM 743 CG ASP A 49 -2.649 22.663 -14.947 1.00 0.00 C ATOM 744 OD1 ASP A 49 -1.871 23.130 -15.805 1.00 0.00 O ATOM 745 OD2 ASP A 49 -3.881 22.865 -14.957 1.00 0.00 O ATOM 0 H ASP A 49 -3.995 19.930 -14.169 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.171 20.247 -15.012 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.705 21.881 -12.955 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.089 22.192 -13.559 1.00 0.00 H new ATOM 750 N ILE A 50 -2.483 18.815 -12.435 1.00 0.00 N ATOM 751 CA ILE A 50 -2.212 17.977 -11.273 1.00 0.00 C ATOM 752 C ILE A 50 -1.703 16.602 -11.694 1.00 0.00 C ATOM 753 O ILE A 50 -2.300 15.939 -12.543 1.00 0.00 O ATOM 754 CB ILE A 50 -3.469 17.802 -10.400 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.081 19.165 -10.069 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.127 17.045 -9.125 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.529 19.089 -9.641 1.00 0.00 C ATOM 0 H ILE A 50 -3.459 18.824 -12.731 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.443 18.484 -10.690 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.203 17.221 -10.958 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.500 19.632 -9.274 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.002 19.811 -10.943 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.025 16.929 -8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.732 16.062 -9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.378 17.601 -8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.897 20.091 -9.422 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.123 18.651 -10.443 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.612 18.469 -8.748 1.00 0.00 H new ATOM 769 N THR A 51 -0.597 16.177 -11.092 1.00 0.00 N ATOM 770 CA THR A 51 -0.007 14.881 -11.402 1.00 0.00 C ATOM 771 C THR A 51 0.385 14.137 -10.131 1.00 0.00 C ATOM 772 O THR A 51 1.190 14.625 -9.338 1.00 0.00 O ATOM 773 CB THR A 51 1.236 15.030 -12.300 1.00 0.00 C ATOM 774 OG1 THR A 51 0.836 15.276 -13.653 1.00 0.00 O ATOM 775 CG2 THR A 51 2.099 13.780 -12.241 1.00 0.00 C ATOM 0 H THR A 51 -0.091 16.712 -10.386 1.00 0.00 H new ATOM 0 HA THR A 51 -0.765 14.308 -11.936 1.00 0.00 H new ATOM 0 HB THR A 51 1.821 15.874 -11.935 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.632 15.371 -14.217 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.970 13.909 -12.883 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.426 13.612 -11.215 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.520 12.922 -12.583 1.00 0.00 H new ATOM 783 N CYS A 52 -0.188 12.953 -9.944 1.00 0.00 N ATOM 784 CA CYS A 52 0.102 12.141 -8.768 1.00 0.00 C ATOM 785 C CYS A 52 0.451 10.711 -9.168 1.00 0.00 C ATOM 786 O CYS A 52 0.429 10.361 -10.348 1.00 0.00 O ATOM 787 CB CYS A 52 -1.094 12.139 -7.815 1.00 0.00 C ATOM 788 SG CYS A 52 -1.357 13.709 -6.957 1.00 0.00 S ATOM 0 H CYS A 52 -0.856 12.534 -10.591 1.00 0.00 H new ATOM 0 HA CYS A 52 0.961 12.577 -8.259 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.993 11.890 -8.378 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.954 11.352 -7.074 1.00 0.00 H new ATOM 0 HG CYS A 52 -0.571 14.615 -7.459 1.00 0.00 H new ATOM 794 N THR A 53 0.776 9.887 -8.176 1.00 0.00 N ATOM 795 CA THR A 53 1.132 8.496 -8.424 1.00 0.00 C ATOM 796 C THR A 53 0.670 7.598 -7.282 1.00 0.00 C ATOM 797 O THR A 53 0.645 8.012 -6.124 1.00 0.00 O ATOM 798 CB THR A 53 2.652 8.330 -8.609 1.00 0.00 C ATOM 799 OG1 THR A 53 3.335 8.689 -7.402 1.00 0.00 O ATOM 800 CG2 THR A 53 3.155 9.192 -9.757 1.00 0.00 C ATOM 0 H THR A 53 0.800 10.160 -7.193 1.00 0.00 H new ATOM 0 HA THR A 53 0.627 8.200 -9.343 1.00 0.00 H new ATOM 0 HB THR A 53 2.855 7.285 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.301 8.579 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.231 9.058 -9.868 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.655 8.897 -10.680 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.940 10.240 -9.547 1.00 0.00 H new ATOM 808 N GLY A 54 0.304 6.364 -7.616 1.00 0.00 N ATOM 809 CA GLY A 54 -0.152 5.426 -6.607 1.00 0.00 C ATOM 810 C GLY A 54 0.699 4.172 -6.553 1.00 0.00 C ATOM 811 O GLY A 54 0.445 3.212 -7.279 1.00 0.00 O ATOM 0 H GLY A 54 0.315 5.997 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.139 5.912 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.186 5.151 -6.813 1.00 0.00 H new ATOM 815 N GLU A 55 1.712 4.183 -5.693 1.00 0.00 N ATOM 816 CA GLU A 55 2.604 3.038 -5.550 1.00 0.00 C ATOM 817 C GLU A 55 2.304 2.271 -4.266 1.00 0.00 C ATOM 818 O GLU A 55 1.941 2.860 -3.249 1.00 0.00 O ATOM 819 CB GLU A 55 4.064 3.497 -5.554 1.00 0.00 C ATOM 820 CG GLU A 55 5.053 2.383 -5.256 1.00 0.00 C ATOM 821 CD GLU A 55 5.321 2.222 -3.772 1.00 0.00 C ATOM 822 OE1 GLU A 55 5.790 3.195 -3.145 1.00 0.00 O ATOM 823 OE2 GLU A 55 5.062 1.123 -3.239 1.00 0.00 O ATOM 0 H GLU A 55 1.936 4.971 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 55 2.437 2.373 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.298 3.928 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.189 4.289 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.669 1.445 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.992 2.588 -5.771 1.00 0.00 H new ATOM 830 N GLY A 56 2.458 0.951 -4.321 1.00 0.00 N ATOM 831 CA GLY A 56 2.199 0.125 -3.157 1.00 0.00 C ATOM 832 C GLY A 56 1.618 -1.226 -3.524 1.00 0.00 C ATOM 833 O GLY A 56 2.059 -2.259 -3.018 1.00 0.00 O ATOM 0 H GLY A 56 2.758 0.440 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.127 -0.020 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.510 0.645 -2.492 1.00 0.00 H new ATOM 837 N THR A 57 0.622 -1.221 -4.404 1.00 0.00 N ATOM 838 CA THR A 57 -0.024 -2.455 -4.836 1.00 0.00 C ATOM 839 C THR A 57 -0.210 -2.478 -6.348 1.00 0.00 C ATOM 840 O THR A 57 0.202 -1.553 -7.049 1.00 0.00 O ATOM 841 CB THR A 57 -1.395 -2.638 -4.158 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.391 -2.015 -2.869 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.734 -4.114 -4.013 1.00 0.00 C ATOM 0 H THR A 57 0.245 -0.376 -4.832 1.00 0.00 H new ATOM 0 HA THR A 57 0.631 -3.275 -4.541 1.00 0.00 H new ATOM 0 HB THR A 57 -2.152 -2.168 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.416 -2.704 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.706 -4.218 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.765 -4.579 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.974 -4.604 -3.405 1.00 0.00 H new ATOM 851 N SER A 58 -0.834 -3.540 -6.847 1.00 0.00 N ATOM 852 CA SER A 58 -1.072 -3.685 -8.279 1.00 0.00 C ATOM 853 C SER A 58 -2.366 -2.988 -8.687 1.00 0.00 C ATOM 854 O SER A 58 -3.051 -2.388 -7.858 1.00 0.00 O ATOM 855 CB SER A 58 -1.135 -5.165 -8.659 1.00 0.00 C ATOM 856 OG SER A 58 -2.331 -5.762 -8.190 1.00 0.00 O ATOM 0 H SER A 58 -1.184 -4.313 -6.281 1.00 0.00 H new ATOM 0 HA SER A 58 -0.244 -3.216 -8.810 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.074 -5.268 -9.742 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.275 -5.688 -8.240 1.00 0.00 H new ATOM 0 HG SER A 58 -2.347 -6.707 -8.447 1.00 0.00 H new ATOM 862 N LYS A 59 -2.695 -3.071 -9.972 1.00 0.00 N ATOM 863 CA LYS A 59 -3.907 -2.450 -10.493 1.00 0.00 C ATOM 864 C LYS A 59 -5.037 -2.519 -9.471 1.00 0.00 C ATOM 865 O LYS A 59 -5.910 -1.651 -9.434 1.00 0.00 O ATOM 866 CB LYS A 59 -4.338 -3.136 -11.792 1.00 0.00 C ATOM 867 CG LYS A 59 -3.307 -3.037 -12.903 1.00 0.00 C ATOM 868 CD LYS A 59 -3.394 -4.221 -13.851 1.00 0.00 C ATOM 869 CE LYS A 59 -2.506 -5.368 -13.394 1.00 0.00 C ATOM 870 NZ LYS A 59 -2.836 -6.638 -14.097 1.00 0.00 N ATOM 0 H LYS A 59 -2.139 -3.562 -10.672 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.689 -1.402 -10.697 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.540 -4.187 -11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.273 -2.692 -12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.458 -2.112 -13.460 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.308 -2.989 -12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.427 -4.562 -13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.100 -3.909 -14.853 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.462 -5.113 -13.575 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.618 -5.508 -12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.209 -7.395 -13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.825 -6.895 -13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.705 -6.512 -15.121 1.00 0.00 H new ATOM 884 N LYS A 60 -5.015 -3.556 -8.640 1.00 0.00 N ATOM 885 CA LYS A 60 -6.035 -3.737 -7.614 1.00 0.00 C ATOM 886 C LYS A 60 -6.207 -2.467 -6.787 1.00 0.00 C ATOM 887 O LYS A 60 -7.213 -1.766 -6.909 1.00 0.00 O ATOM 888 CB LYS A 60 -5.666 -4.907 -6.700 1.00 0.00 C ATOM 889 CG LYS A 60 -6.170 -6.251 -7.199 1.00 0.00 C ATOM 890 CD LYS A 60 -5.847 -7.366 -6.219 1.00 0.00 C ATOM 891 CE LYS A 60 -4.384 -7.775 -6.303 1.00 0.00 C ATOM 892 NZ LYS A 60 -4.112 -9.024 -5.539 1.00 0.00 N ATOM 0 H LYS A 60 -4.301 -4.284 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.980 -3.956 -8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.582 -4.950 -6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.072 -4.722 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.248 -6.202 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.719 -6.473 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.077 -7.039 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.480 -8.229 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.107 -7.921 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.759 -6.970 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.105 -9.269 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.352 -8.878 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.689 -9.799 -5.924 1.00 0.00 H new ATOM 906 N LEU A 61 -5.220 -2.175 -5.948 1.00 0.00 N ATOM 907 CA LEU A 61 -5.261 -0.987 -5.102 1.00 0.00 C ATOM 908 C LEU A 61 -4.544 0.182 -5.768 1.00 0.00 C ATOM 909 O LEU A 61 -5.102 1.271 -5.900 1.00 0.00 O ATOM 910 CB LEU A 61 -4.624 -1.283 -3.743 1.00 0.00 C ATOM 911 CG LEU A 61 -3.932 -0.105 -3.055 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.773 1.156 -3.182 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.665 -0.425 -1.591 1.00 0.00 C ATOM 0 H LEU A 61 -4.381 -2.744 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.305 -0.712 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.398 -1.663 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.894 -2.082 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.976 0.069 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.265 1.984 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.913 1.395 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.744 0.994 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.172 0.424 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.609 -0.626 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.022 -1.303 -1.522 1.00 0.00 H new ATOM 925 N ALA A 62 -3.306 -0.052 -6.189 1.00 0.00 N ATOM 926 CA ALA A 62 -2.514 0.980 -6.847 1.00 0.00 C ATOM 927 C ALA A 62 -3.402 1.929 -7.644 1.00 0.00 C ATOM 928 O ALA A 62 -3.317 3.148 -7.495 1.00 0.00 O ATOM 929 CB ALA A 62 -1.469 0.346 -7.753 1.00 0.00 C ATOM 0 H ALA A 62 -2.829 -0.948 -6.086 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.007 1.560 -6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.885 1.128 -8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.808 -0.285 -7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.965 -0.260 -8.512 1.00 0.00 H new ATOM 935 N LYS A 63 -4.255 1.362 -8.491 1.00 0.00 N ATOM 936 CA LYS A 63 -5.160 2.157 -9.312 1.00 0.00 C ATOM 937 C LYS A 63 -6.070 3.018 -8.442 1.00 0.00 C ATOM 938 O LYS A 63 -6.116 4.240 -8.593 1.00 0.00 O ATOM 939 CB LYS A 63 -6.004 1.246 -10.206 1.00 0.00 C ATOM 940 CG LYS A 63 -6.403 1.886 -11.524 1.00 0.00 C ATOM 941 CD LYS A 63 -5.354 1.651 -12.598 1.00 0.00 C ATOM 942 CE LYS A 63 -5.833 2.131 -13.959 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.808 1.185 -14.569 1.00 0.00 N ATOM 0 H LYS A 63 -4.338 0.354 -8.627 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.558 2.815 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.445 0.333 -10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.905 0.955 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.359 1.479 -11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.545 2.957 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.435 2.172 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.115 0.589 -12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.295 3.113 -13.856 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.978 2.250 -14.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.059 1.513 -15.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.382 0.238 -14.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.665 1.143 -13.981 1.00 0.00 H new ATOM 957 N HIS A 64 -6.791 2.374 -7.530 1.00 0.00 N ATOM 958 CA HIS A 64 -7.698 3.082 -6.634 1.00 0.00 C ATOM 959 C HIS A 64 -7.019 4.308 -6.030 1.00 0.00 C ATOM 960 O HIS A 64 -7.585 5.401 -6.021 1.00 0.00 O ATOM 961 CB HIS A 64 -8.179 2.151 -5.520 1.00 0.00 C ATOM 962 CG HIS A 64 -9.557 2.468 -5.027 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.701 2.011 -5.645 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.971 3.201 -3.967 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.760 2.450 -4.987 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.344 3.174 -3.964 1.00 0.00 N ATOM 0 H HIS A 64 -6.765 1.364 -7.392 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.557 3.414 -7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.159 1.123 -5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.481 2.207 -4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.339 3.712 -3.256 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.790 2.251 -5.243 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.945 3.638 -3.282 1.00 0.00 H new ATOM 974 N ARG A 65 -5.804 4.117 -5.526 1.00 0.00 N ATOM 975 CA ARG A 65 -5.049 5.207 -4.919 1.00 0.00 C ATOM 976 C ARG A 65 -4.715 6.279 -5.953 1.00 0.00 C ATOM 977 O ARG A 65 -4.911 7.469 -5.712 1.00 0.00 O ATOM 978 CB ARG A 65 -3.762 4.674 -4.287 1.00 0.00 C ATOM 979 CG ARG A 65 -3.923 4.261 -2.833 1.00 0.00 C ATOM 980 CD ARG A 65 -2.705 3.503 -2.331 1.00 0.00 C ATOM 981 NE ARG A 65 -2.487 3.702 -0.900 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.654 2.966 -0.174 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.962 1.988 -0.742 1.00 0.00 N ATOM 984 NH2 ARG A 65 -1.510 3.208 1.122 1.00 0.00 N ATOM 0 H ARG A 65 -5.322 3.218 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.668 5.656 -4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.412 3.817 -4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.990 5.440 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.081 5.147 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.810 3.637 -2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.831 2.439 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.823 3.830 -2.881 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.003 4.448 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.069 1.800 -1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.323 1.424 -0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.040 3.960 1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.870 2.642 1.678 1.00 0.00 H new ATOM 998 N ALA A 66 -4.209 5.847 -7.103 1.00 0.00 N ATOM 999 CA ALA A 66 -3.849 6.768 -8.173 1.00 0.00 C ATOM 1000 C ALA A 66 -4.974 7.762 -8.444 1.00 0.00 C ATOM 1001 O ALA A 66 -4.754 8.972 -8.463 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.506 5.998 -9.440 1.00 0.00 C ATOM 0 H ALA A 66 -4.039 4.864 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.971 7.330 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.239 6.699 -10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.665 5.333 -9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.368 5.409 -9.753 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.179 7.241 -8.654 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.338 8.083 -8.922 1.00 0.00 C ATOM 1010 C ALA A 67 -7.745 8.869 -7.680 1.00 0.00 C ATOM 1011 O ALA A 67 -8.150 10.027 -7.773 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.501 7.236 -9.418 1.00 0.00 C ATOM 0 H ALA A 67 -6.377 6.241 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.066 8.798 -9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.360 7.877 -9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.213 6.724 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.764 6.499 -8.659 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.636 8.231 -6.519 1.00 0.00 N ATOM 1019 CA GLU A 68 -7.994 8.871 -5.259 1.00 0.00 C ATOM 1020 C GLU A 68 -7.215 10.169 -5.067 1.00 0.00 C ATOM 1021 O GLU A 68 -7.792 11.214 -4.769 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.729 7.925 -4.087 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.918 7.050 -3.729 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.603 6.059 -2.625 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.746 5.178 -2.845 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.213 6.166 -1.541 1.00 0.00 O ATOM 0 H GLU A 68 -7.303 7.272 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.057 9.108 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.880 7.287 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.445 8.513 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.749 7.683 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.245 6.508 -4.616 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.899 10.092 -5.240 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.040 11.260 -5.088 1.00 0.00 C ATOM 1035 C ALA A 69 -5.624 12.470 -5.809 1.00 0.00 C ATOM 1036 O ALA A 69 -6.108 13.407 -5.175 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.642 10.958 -5.607 1.00 0.00 C ATOM 0 H ALA A 69 -5.405 9.234 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.978 11.498 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.011 11.839 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.216 10.128 -5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.696 10.691 -6.662 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.575 12.442 -7.136 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.101 13.537 -7.943 1.00 0.00 C ATOM 1045 C ALA A 70 -7.357 14.128 -7.314 1.00 0.00 C ATOM 1046 O ALA A 70 -7.352 15.268 -6.848 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.392 13.057 -9.357 1.00 0.00 C ATOM 0 H ALA A 70 -5.177 11.674 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.345 14.321 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.784 13.884 -9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.473 12.689 -9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.128 12.254 -9.324 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.432 13.347 -7.304 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.696 13.794 -6.731 1.00 0.00 C ATOM 1055 C ILE A 71 -9.464 14.675 -5.508 1.00 0.00 C ATOM 1056 O ILE A 71 -9.720 15.878 -5.539 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.586 12.603 -6.331 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.845 11.703 -7.541 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.898 13.096 -5.740 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.697 10.494 -7.223 1.00 0.00 C ATOM 0 H ILE A 71 -8.453 12.402 -7.686 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.204 14.373 -7.502 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.066 12.019 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.334 12.287 -8.320 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.890 11.368 -7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.516 12.242 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.695 13.699 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.425 13.700 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.840 9.902 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.200 9.887 -6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.666 10.821 -6.847 1.00 0.00 H new ATOM 1072 N ASN A 72 -8.975 14.067 -4.432 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.707 14.796 -3.198 1.00 0.00 C ATOM 1074 C ASN A 72 -8.177 16.195 -3.497 1.00 0.00 C ATOM 1075 O ASN A 72 -8.544 17.164 -2.831 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.700 14.030 -2.337 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.373 13.067 -1.379 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.580 13.146 -1.147 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -7.594 12.150 -0.816 1.00 0.00 N ATOM 0 H ASN A 72 -8.756 13.072 -4.390 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.645 14.891 -2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.019 13.478 -2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.097 14.739 -1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.991 11.475 -0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.599 12.121 -1.037 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.313 16.292 -4.502 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.735 17.573 -4.890 1.00 0.00 C ATOM 1088 C ILE A 73 -7.718 18.392 -5.719 1.00 0.00 C ATOM 1089 O ILE A 73 -7.795 19.614 -5.582 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.436 17.382 -5.696 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.362 16.725 -4.826 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -4.946 18.718 -6.233 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.332 15.952 -5.619 1.00 0.00 C ATOM 0 H ILE A 73 -6.998 15.500 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.507 18.109 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.643 16.726 -6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.857 17.495 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.843 16.052 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.028 18.567 -6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.707 19.150 -6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.752 19.395 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.602 15.514 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.826 15.159 -6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.825 16.625 -6.310 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.470 17.712 -6.577 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.452 18.376 -7.428 1.00 0.00 C ATOM 1107 C LEU A 74 -10.475 19.134 -6.588 1.00 0.00 C ATOM 1108 O LEU A 74 -11.040 20.134 -7.032 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.162 17.352 -8.316 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.460 17.001 -9.628 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -7.965 16.831 -9.405 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.058 15.738 -10.231 1.00 0.00 C ATOM 0 H LEU A 74 -8.419 16.701 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.925 19.092 -8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.297 16.435 -7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.157 17.731 -8.549 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.611 17.822 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.482 16.581 -10.350 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.547 17.760 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.793 16.029 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.546 15.503 -11.164 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.938 14.910 -9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.118 15.896 -10.428 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.708 18.654 -5.372 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.660 19.288 -4.468 1.00 0.00 C ATOM 1126 C LYS A 75 -11.048 20.520 -3.810 1.00 0.00 C ATOM 1127 O LYS A 75 -11.519 21.639 -4.007 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.113 18.295 -3.394 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.531 16.945 -3.951 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.381 15.844 -2.915 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.581 15.790 -1.982 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.388 14.799 -0.887 1.00 0.00 N ATOM 0 H LYS A 75 -10.250 17.827 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.525 19.602 -5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.302 18.149 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.949 18.726 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.568 16.993 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.925 16.708 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.266 14.884 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.474 16.011 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.752 16.777 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.473 15.532 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.227 14.792 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.250 13.853 -1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.551 15.059 -0.327 1.00 0.00 H new