USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 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 Single : A 7 SER OG : rot 23:sc= 0.18 USER MOD Single : A 11 ASN : amide:sc= 0.00078 X(o=0.00078,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 71:sc= 0.389 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.424 K(o=0.42,f=-4!) USER MOD Single : A 35 THR OG1 : rot 40:sc= 0.172 USER MOD Single : A 40 MET CE :methyl -164:sc= -0.358 (180deg=-1.15) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0892 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.339! C(o=-0.34!,f=-11!) USER MOD Single : A 65 ASN : amide:sc= 1.07 K(o=1.1,f=-0.3) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 177:sc= 1.12 USER MOD Single : A 72 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.039) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -27.549 -7.294 0.391 1.00 0.00 N ATOM 2 CA SER A 7 -27.985 -5.943 0.711 1.00 0.00 C ATOM 3 C SER A 7 -26.857 -4.992 0.349 1.00 0.00 C ATOM 4 O SER A 7 -25.867 -4.876 1.079 1.00 0.00 O ATOM 5 CB SER A 7 -28.302 -5.884 2.204 1.00 0.00 C ATOM 6 OG SER A 7 -29.219 -6.919 2.553 1.00 0.00 O ATOM 0 HA SER A 7 -28.879 -5.661 0.155 1.00 0.00 H new ATOM 0 HB2 SER A 7 -27.384 -5.990 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 7 -28.726 -4.912 2.455 1.00 0.00 H new ATOM 0 HG SER A 7 -29.164 -7.641 1.893 1.00 0.00 H new ATOM 12 N GLY A 8 -26.984 -4.328 -0.782 1.00 0.00 N ATOM 13 CA GLY A 8 -25.899 -3.515 -1.242 1.00 0.00 C ATOM 14 C GLY A 8 -26.219 -2.047 -1.368 1.00 0.00 C ATOM 15 O GLY A 8 -27.066 -1.655 -2.164 1.00 0.00 O ATOM 0 H GLY A 8 -27.810 -4.339 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -25.060 -3.632 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -25.572 -3.886 -2.213 1.00 0.00 H new ATOM 19 N ARG A 9 -25.553 -1.260 -0.553 1.00 0.00 N ATOM 20 CA ARG A 9 -25.554 0.194 -0.592 1.00 0.00 C ATOM 21 C ARG A 9 -24.192 0.625 -0.105 1.00 0.00 C ATOM 22 O ARG A 9 -23.631 -0.017 0.790 1.00 0.00 O ATOM 23 CB ARG A 9 -26.669 0.882 0.223 1.00 0.00 C ATOM 24 CG ARG A 9 -28.056 0.809 -0.404 1.00 0.00 C ATOM 25 CD ARG A 9 -29.065 1.693 0.319 1.00 0.00 C ATOM 26 NE ARG A 9 -29.290 1.282 1.707 1.00 0.00 N ATOM 27 CZ ARG A 9 -30.053 1.922 2.599 1.00 0.00 C ATOM 28 NH1 ARG A 9 -30.664 3.066 2.292 1.00 0.00 N ATOM 29 NH2 ARG A 9 -30.185 1.417 3.808 1.00 0.00 N ATOM 0 H ARG A 9 -24.965 -1.630 0.194 1.00 0.00 H new ATOM 0 HA ARG A 9 -25.764 0.507 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -26.709 0.428 1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -26.404 1.930 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -27.996 1.111 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -28.405 -0.224 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -28.714 2.725 0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -30.012 1.670 -0.220 1.00 0.00 H new ATOM 0 HE ARG A 9 -28.823 0.431 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -30.554 3.469 1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -31.242 3.538 2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -29.708 0.549 4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -30.764 1.894 4.499 1.00 0.00 H new ATOM 43 N GLU A 10 -23.648 1.670 -0.678 1.00 0.00 N ATOM 44 CA GLU A 10 -22.310 2.083 -0.331 1.00 0.00 C ATOM 45 C GLU A 10 -22.273 2.950 0.904 1.00 0.00 C ATOM 46 O GLU A 10 -22.547 4.150 0.878 1.00 0.00 O ATOM 47 CB GLU A 10 -21.591 2.706 -1.512 1.00 0.00 C ATOM 48 CG GLU A 10 -21.416 1.712 -2.637 1.00 0.00 C ATOM 49 CD GLU A 10 -20.761 2.300 -3.847 1.00 0.00 C ATOM 50 OE1 GLU A 10 -21.476 2.719 -4.778 1.00 0.00 O ATOM 51 OE2 GLU A 10 -19.521 2.336 -3.913 1.00 0.00 O ATOM 0 H GLU A 10 -24.107 2.247 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 10 -21.756 1.181 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.155 3.568 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.615 3.073 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.820 0.872 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.392 1.315 -2.917 1.00 0.00 H new ATOM 58 N ASN A 11 -21.977 2.287 1.984 1.00 0.00 N ATOM 59 CA ASN A 11 -21.829 2.890 3.285 1.00 0.00 C ATOM 60 C ASN A 11 -20.374 2.743 3.620 1.00 0.00 C ATOM 61 O ASN A 11 -19.716 1.853 3.061 1.00 0.00 O ATOM 62 CB ASN A 11 -22.646 2.149 4.360 1.00 0.00 C ATOM 63 CG ASN A 11 -24.144 2.161 4.134 1.00 0.00 C ATOM 64 OD1 ASN A 11 -24.848 3.068 4.578 1.00 0.00 O ATOM 65 ND2 ASN A 11 -24.662 1.155 3.461 1.00 0.00 N ATOM 0 H ASN A 11 -21.826 1.278 1.988 1.00 0.00 H new ATOM 0 HA ASN A 11 -22.178 3.923 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -22.307 1.114 4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -22.435 2.597 5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -25.668 1.115 3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -24.057 0.416 3.103 1.00 0.00 H new ATOM 72 N LEU A 12 -19.865 3.598 4.478 1.00 0.00 N ATOM 73 CA LEU A 12 -18.491 3.509 4.912 1.00 0.00 C ATOM 74 C LEU A 12 -18.216 2.181 5.535 1.00 0.00 C ATOM 75 O LEU A 12 -19.052 1.615 6.260 1.00 0.00 O ATOM 76 CB LEU A 12 -18.098 4.630 5.861 1.00 0.00 C ATOM 77 CG LEU A 12 -17.803 5.964 5.209 1.00 0.00 C ATOM 78 CD1 LEU A 12 -17.664 7.042 6.262 1.00 0.00 C ATOM 79 CD2 LEU A 12 -16.519 5.874 4.402 1.00 0.00 C ATOM 0 H LEU A 12 -20.388 4.369 4.892 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.877 3.619 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -18.902 4.769 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.217 4.316 6.421 1.00 0.00 H new ATOM 0 HG LEU A 12 -18.630 6.218 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.452 7.996 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -18.592 7.120 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.847 6.787 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.314 6.838 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.693 5.606 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -16.628 5.113 3.629 1.00 0.00 H new ATOM 91 N TYR A 13 -17.053 1.689 5.241 1.00 0.00 N ATOM 92 CA TYR A 13 -16.665 0.394 5.711 1.00 0.00 C ATOM 93 C TYR A 13 -16.398 0.512 7.201 1.00 0.00 C ATOM 94 O TYR A 13 -16.046 1.591 7.701 1.00 0.00 O ATOM 95 CB TYR A 13 -15.445 -0.111 4.948 1.00 0.00 C ATOM 96 CG TYR A 13 -15.229 -1.603 5.036 1.00 0.00 C ATOM 97 CD1 TYR A 13 -14.360 -2.162 5.956 1.00 0.00 C ATOM 98 CD2 TYR A 13 -15.902 -2.448 4.175 1.00 0.00 C ATOM 99 CE1 TYR A 13 -14.167 -3.529 6.012 1.00 0.00 C ATOM 100 CE2 TYR A 13 -15.720 -3.809 4.225 1.00 0.00 C ATOM 101 CZ TYR A 13 -14.850 -4.348 5.144 1.00 0.00 C ATOM 102 OH TYR A 13 -14.656 -5.711 5.186 1.00 0.00 O ATOM 0 H TYR A 13 -16.352 2.167 4.675 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.456 -0.337 5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.546 0.168 3.899 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.558 0.396 5.329 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.825 -1.521 6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.584 -2.031 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.484 -3.952 6.733 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.258 -4.453 3.545 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.216 -6.142 4.507 1.00 0.00 H new ATOM 112 N PHE A 14 -16.601 -0.564 7.893 1.00 0.00 N ATOM 113 CA PHE A 14 -16.474 -0.606 9.323 1.00 0.00 C ATOM 114 C PHE A 14 -15.023 -0.388 9.712 1.00 0.00 C ATOM 115 O PHE A 14 -14.122 -1.055 9.207 1.00 0.00 O ATOM 116 CB PHE A 14 -17.118 -1.893 9.837 1.00 0.00 C ATOM 117 CG PHE A 14 -18.540 -1.958 9.330 1.00 0.00 C ATOM 118 CD1 PHE A 14 -18.855 -2.670 8.178 1.00 0.00 C ATOM 119 CD2 PHE A 14 -19.545 -1.244 9.962 1.00 0.00 C ATOM 120 CE1 PHE A 14 -20.140 -2.667 7.673 1.00 0.00 C ATOM 121 CE2 PHE A 14 -20.833 -1.249 9.465 1.00 0.00 C ATOM 122 CZ PHE A 14 -21.130 -1.957 8.320 1.00 0.00 C ATOM 0 H PHE A 14 -16.865 -1.457 7.476 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.014 0.205 9.811 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -16.554 -2.761 9.494 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.104 -1.914 10.927 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -18.085 -3.233 7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -19.318 -0.677 10.853 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.369 -3.219 6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.609 -0.697 9.974 1.00 0.00 H new ATOM 0 HZ PHE A 14 -22.137 -1.956 7.930 1.00 0.00 H new ATOM 132 N GLN A 15 -14.847 0.610 10.558 1.00 0.00 N ATOM 133 CA GLN A 15 -13.560 1.162 10.958 1.00 0.00 C ATOM 134 C GLN A 15 -12.519 0.137 11.375 1.00 0.00 C ATOM 135 O GLN A 15 -12.655 -0.563 12.385 1.00 0.00 O ATOM 136 CB GLN A 15 -13.767 2.231 12.029 1.00 0.00 C ATOM 137 CG GLN A 15 -14.610 3.393 11.530 1.00 0.00 C ATOM 138 CD GLN A 15 -15.014 4.364 12.618 1.00 0.00 C ATOM 139 OE1 GLN A 15 -14.307 4.548 13.612 1.00 0.00 O ATOM 140 NE2 GLN A 15 -16.151 4.999 12.440 1.00 0.00 N ATOM 0 H GLN A 15 -15.632 1.082 11.007 1.00 0.00 H new ATOM 0 HA GLN A 15 -13.133 1.614 10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.249 1.783 12.898 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.797 2.604 12.359 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.053 3.932 10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.509 3.000 11.054 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.709 4.821 11.605 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.475 5.670 13.137 1.00 0.00 H new ATOM 149 N GLY A 16 -11.510 0.056 10.547 1.00 0.00 N ATOM 150 CA GLY A 16 -10.352 -0.765 10.767 1.00 0.00 C ATOM 151 C GLY A 16 -9.208 0.161 11.079 1.00 0.00 C ATOM 152 O GLY A 16 -9.432 1.375 11.196 1.00 0.00 O ATOM 0 H GLY A 16 -11.473 0.578 9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.522 -1.459 11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.132 -1.366 9.884 1.00 0.00 H new ATOM 156 N HIS A 17 -8.024 -0.365 11.282 1.00 0.00 N ATOM 157 CA HIS A 17 -6.873 0.479 11.546 1.00 0.00 C ATOM 158 C HIS A 17 -6.528 1.292 10.307 1.00 0.00 C ATOM 159 O HIS A 17 -6.231 0.745 9.240 1.00 0.00 O ATOM 160 CB HIS A 17 -5.676 -0.323 12.058 1.00 0.00 C ATOM 161 CG HIS A 17 -5.903 -0.921 13.413 1.00 0.00 C ATOM 162 ND1 HIS A 17 -6.258 -2.233 13.631 1.00 0.00 N ATOM 163 CD2 HIS A 17 -5.818 -0.354 14.638 1.00 0.00 C ATOM 164 CE1 HIS A 17 -6.377 -2.425 14.945 1.00 0.00 C ATOM 165 NE2 HIS A 17 -6.118 -1.307 15.608 1.00 0.00 N ATOM 0 H HIS A 17 -7.828 -1.366 11.271 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.135 1.171 12.346 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.451 -1.120 11.349 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.801 0.326 12.096 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.558 0.676 14.833 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.648 -3.363 15.406 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.135 -1.173 16.619 1.00 0.00 H new ATOM 173 N MET A 18 -6.610 2.596 10.461 1.00 0.00 N ATOM 174 CA MET A 18 -6.394 3.528 9.372 1.00 0.00 C ATOM 175 C MET A 18 -4.933 3.678 9.020 1.00 0.00 C ATOM 176 O MET A 18 -4.045 3.265 9.774 1.00 0.00 O ATOM 177 CB MET A 18 -6.998 4.902 9.680 1.00 0.00 C ATOM 178 CG MET A 18 -8.510 4.941 9.631 1.00 0.00 C ATOM 179 SD MET A 18 -9.130 4.536 7.987 1.00 0.00 S ATOM 180 CE MET A 18 -10.892 4.671 8.253 1.00 0.00 C ATOM 0 H MET A 18 -6.830 3.044 11.351 1.00 0.00 H new ATOM 0 HA MET A 18 -6.904 3.103 8.507 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.670 5.217 10.671 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.604 5.627 8.968 1.00 0.00 H new ATOM 0 HG2 MET A 18 -8.917 4.238 10.358 1.00 0.00 H new ATOM 0 HG3 MET A 18 -8.859 5.933 9.918 1.00 0.00 H new ATOM 0 HE1 MET A 18 -11.418 4.449 7.325 1.00 0.00 H new ATOM 0 HE2 MET A 18 -11.199 3.963 9.023 1.00 0.00 H new ATOM 0 HE3 MET A 18 -11.135 5.684 8.574 1.00 0.00 H new ATOM 190 N ALA A 19 -4.706 4.287 7.874 1.00 0.00 N ATOM 191 CA ALA A 19 -3.372 4.540 7.373 1.00 0.00 C ATOM 192 C ALA A 19 -2.720 5.623 8.223 1.00 0.00 C ATOM 193 O ALA A 19 -3.068 6.808 8.122 1.00 0.00 O ATOM 194 CB ALA A 19 -3.433 4.954 5.912 1.00 0.00 C ATOM 0 H ALA A 19 -5.448 4.622 7.260 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.772 3.632 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.424 5.142 5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.890 4.156 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.029 5.861 5.816 1.00 0.00 H new ATOM 200 N ALA A 20 -1.814 5.205 9.070 1.00 0.00 N ATOM 201 CA ALA A 20 -1.170 6.080 10.024 1.00 0.00 C ATOM 202 C ALA A 20 0.207 6.514 9.541 1.00 0.00 C ATOM 203 O ALA A 20 0.828 5.822 8.731 1.00 0.00 O ATOM 204 CB ALA A 20 -1.039 5.342 11.345 1.00 0.00 C ATOM 0 H ALA A 20 -1.497 4.237 9.119 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.777 6.977 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.555 5.989 12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.029 5.064 11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.439 4.443 11.202 1.00 0.00 H new ATOM 210 N PRO A 21 0.688 7.685 9.987 1.00 0.00 N ATOM 211 CA PRO A 21 2.046 8.140 9.692 1.00 0.00 C ATOM 212 C PRO A 21 3.040 7.197 10.364 1.00 0.00 C ATOM 213 O PRO A 21 3.118 7.125 11.597 1.00 0.00 O ATOM 214 CB PRO A 21 2.109 9.542 10.306 1.00 0.00 C ATOM 215 CG PRO A 21 1.032 9.558 11.328 1.00 0.00 C ATOM 216 CD PRO A 21 -0.052 8.670 10.802 1.00 0.00 C ATOM 0 HA PRO A 21 2.287 8.154 8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.083 9.733 10.755 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.949 10.312 9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.400 9.197 12.288 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.662 10.571 11.489 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.607 8.190 11.608 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.774 9.226 10.205 1.00 0.00 H new ATOM 224 N ALA A 22 3.748 6.422 9.569 1.00 0.00 N ATOM 225 CA ALA A 22 4.649 5.428 10.133 1.00 0.00 C ATOM 226 C ALA A 22 5.918 5.272 9.345 1.00 0.00 C ATOM 227 O ALA A 22 6.742 4.388 9.619 1.00 0.00 O ATOM 228 CB ALA A 22 3.941 4.108 10.229 1.00 0.00 C ATOM 0 H ALA A 22 3.722 6.455 8.550 1.00 0.00 H new ATOM 0 HA ALA A 22 4.936 5.779 11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.616 3.363 10.651 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.066 4.210 10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.627 3.791 9.235 1.00 0.00 H new ATOM 234 N ARG A 23 6.054 6.142 8.387 1.00 0.00 N ATOM 235 CA ARG A 23 7.166 6.178 7.446 1.00 0.00 C ATOM 236 C ARG A 23 7.532 4.792 6.912 1.00 0.00 C ATOM 237 O ARG A 23 8.698 4.458 6.729 1.00 0.00 O ATOM 238 CB ARG A 23 8.357 6.932 8.035 1.00 0.00 C ATOM 239 CG ARG A 23 8.012 8.386 8.286 1.00 0.00 C ATOM 240 CD ARG A 23 9.156 9.173 8.877 1.00 0.00 C ATOM 241 NE ARG A 23 8.765 10.564 9.129 1.00 0.00 N ATOM 242 CZ ARG A 23 9.367 11.643 8.608 1.00 0.00 C ATOM 243 NH1 ARG A 23 10.435 11.521 7.829 1.00 0.00 N ATOM 244 NH2 ARG A 23 8.907 12.850 8.892 1.00 0.00 N ATOM 0 H ARG A 23 5.372 6.882 8.222 1.00 0.00 H new ATOM 0 HA ARG A 23 6.838 6.739 6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.663 6.461 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.205 6.869 7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.708 8.848 7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.156 8.439 8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.478 8.708 9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.008 9.149 8.197 1.00 0.00 H new ATOM 0 HE ARG A 23 7.972 10.723 9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.810 10.596 7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.881 12.352 7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.098 12.957 9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.361 13.674 8.499 1.00 0.00 H new ATOM 258 N SER A 24 6.507 4.016 6.605 1.00 0.00 N ATOM 259 CA SER A 24 6.660 2.688 6.061 1.00 0.00 C ATOM 260 C SER A 24 5.427 2.370 5.237 1.00 0.00 C ATOM 261 O SER A 24 4.329 2.562 5.739 1.00 0.00 O ATOM 262 CB SER A 24 6.675 1.672 7.193 1.00 0.00 C ATOM 263 OG SER A 24 7.597 2.007 8.219 1.00 0.00 O ATOM 0 H SER A 24 5.535 4.299 6.730 1.00 0.00 H new ATOM 0 HA SER A 24 7.579 2.645 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.675 1.595 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.926 0.690 6.791 1.00 0.00 H new ATOM 0 HG SER A 24 7.268 2.788 8.712 1.00 0.00 H new ATOM 269 N CYS A 25 5.591 1.875 4.031 1.00 0.00 N ATOM 270 CA CYS A 25 4.475 1.417 3.255 1.00 0.00 C ATOM 271 C CYS A 25 4.597 -0.066 3.261 1.00 0.00 C ATOM 272 O CYS A 25 5.675 -0.616 3.053 1.00 0.00 O ATOM 273 CB CYS A 25 4.457 1.948 1.816 1.00 0.00 C ATOM 274 SG CYS A 25 3.866 3.660 1.630 1.00 0.00 S ATOM 0 H CYS A 25 6.496 1.782 3.569 1.00 0.00 H new ATOM 0 HA CYS A 25 3.543 1.781 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.466 1.882 1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.826 1.295 1.212 1.00 0.00 H new ATOM 279 N VAL A 26 3.531 -0.713 3.566 1.00 0.00 N ATOM 280 CA VAL A 26 3.541 -2.127 3.704 1.00 0.00 C ATOM 281 C VAL A 26 2.831 -2.666 2.514 1.00 0.00 C ATOM 282 O VAL A 26 1.676 -2.329 2.267 1.00 0.00 O ATOM 283 CB VAL A 26 2.828 -2.523 4.994 1.00 0.00 C ATOM 284 CG1 VAL A 26 3.167 -3.914 5.417 1.00 0.00 C ATOM 285 CG2 VAL A 26 3.192 -1.567 6.058 1.00 0.00 C ATOM 0 H VAL A 26 2.623 -0.277 3.728 1.00 0.00 H new ATOM 0 HA VAL A 26 4.554 -2.524 3.760 1.00 0.00 H new ATOM 0 HB VAL A 26 1.754 -2.495 4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.637 -4.153 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.870 -4.614 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.241 -3.992 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.687 -1.843 6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.271 -1.589 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.888 -0.562 5.764 1.00 0.00 H new ATOM 295 N TYR A 27 3.537 -3.445 1.765 1.00 0.00 N ATOM 296 CA TYR A 27 3.038 -3.944 0.530 1.00 0.00 C ATOM 297 C TYR A 27 2.327 -5.237 0.766 1.00 0.00 C ATOM 298 O TYR A 27 2.811 -6.126 1.483 1.00 0.00 O ATOM 299 CB TYR A 27 4.149 -4.015 -0.528 1.00 0.00 C ATOM 300 CG TYR A 27 4.641 -2.626 -0.916 1.00 0.00 C ATOM 301 CD1 TYR A 27 5.337 -1.841 -0.011 1.00 0.00 C ATOM 302 CD2 TYR A 27 4.386 -2.089 -2.167 1.00 0.00 C ATOM 303 CE1 TYR A 27 5.761 -0.571 -0.327 1.00 0.00 C ATOM 304 CE2 TYR A 27 4.819 -0.815 -2.491 1.00 0.00 C ATOM 305 CZ TYR A 27 5.501 -0.062 -1.570 1.00 0.00 C ATOM 306 OH TYR A 27 5.921 1.210 -1.890 1.00 0.00 O ATOM 0 H TYR A 27 4.481 -3.754 1.995 1.00 0.00 H new ATOM 0 HA TYR A 27 2.302 -3.255 0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.982 -4.603 -0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.777 -4.531 -1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.553 -2.237 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.843 -2.671 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.296 0.020 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.619 -0.412 -3.473 1.00 0.00 H new ATOM 0 HH TYR A 27 5.658 1.419 -2.811 1.00 0.00 H new ATOM 316 N TYR A 28 1.157 -5.300 0.220 1.00 0.00 N ATOM 317 CA TYR A 28 0.295 -6.407 0.363 1.00 0.00 C ATOM 318 C TYR A 28 -0.164 -6.886 -0.986 1.00 0.00 C ATOM 319 O TYR A 28 -0.019 -6.199 -1.998 1.00 0.00 O ATOM 320 CB TYR A 28 -0.947 -6.047 1.158 1.00 0.00 C ATOM 321 CG TYR A 28 -0.783 -5.750 2.639 1.00 0.00 C ATOM 322 CD1 TYR A 28 -0.974 -6.754 3.573 1.00 0.00 C ATOM 323 CD2 TYR A 28 -0.468 -4.484 3.107 1.00 0.00 C ATOM 324 CE1 TYR A 28 -0.858 -6.520 4.923 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.346 -4.242 4.461 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.541 -5.262 5.365 1.00 0.00 C ATOM 327 OH TYR A 28 -0.420 -5.018 6.717 1.00 0.00 O ATOM 0 H TYR A 28 0.770 -4.552 -0.356 1.00 0.00 H new ATOM 0 HA TYR A 28 0.858 -7.180 0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.402 -5.174 0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.657 -6.868 1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.221 -7.748 3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.316 -3.678 2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.015 -7.321 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.097 -3.251 4.811 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.190 -4.076 6.860 1.00 0.00 H new ATOM 337 N ASP A 29 -0.770 -8.034 -0.957 1.00 0.00 N ATOM 338 CA ASP A 29 -1.297 -8.692 -2.139 1.00 0.00 C ATOM 339 C ASP A 29 -2.775 -8.794 -1.896 1.00 0.00 C ATOM 340 O ASP A 29 -3.199 -9.585 -1.061 1.00 0.00 O ATOM 341 CB ASP A 29 -0.677 -10.101 -2.232 1.00 0.00 C ATOM 342 CG ASP A 29 -1.182 -11.006 -3.358 1.00 0.00 C ATOM 343 OD1 ASP A 29 -0.349 -11.594 -4.092 1.00 0.00 O ATOM 344 OD2 ASP A 29 -2.398 -11.203 -3.520 1.00 0.00 O ATOM 0 H ASP A 29 -0.921 -8.561 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.075 -8.159 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.402 -9.990 -2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.849 -10.611 -1.284 1.00 0.00 H new ATOM 349 N GLY A 30 -3.535 -7.923 -2.494 1.00 0.00 N ATOM 350 CA GLY A 30 -4.958 -7.959 -2.325 1.00 0.00 C ATOM 351 C GLY A 30 -5.647 -6.981 -3.212 1.00 0.00 C ATOM 352 O GLY A 30 -5.163 -5.868 -3.408 1.00 0.00 O ATOM 0 H GLY A 30 -3.193 -7.179 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.324 -8.963 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.206 -7.744 -1.286 1.00 0.00 H new ATOM 356 N HIS A 31 -6.788 -7.358 -3.704 1.00 0.00 N ATOM 357 CA HIS A 31 -7.580 -6.461 -4.524 1.00 0.00 C ATOM 358 C HIS A 31 -8.389 -5.581 -3.590 1.00 0.00 C ATOM 359 O HIS A 31 -8.495 -4.368 -3.764 1.00 0.00 O ATOM 360 CB HIS A 31 -8.520 -7.229 -5.451 1.00 0.00 C ATOM 361 CG HIS A 31 -7.845 -8.126 -6.447 1.00 0.00 C ATOM 362 ND1 HIS A 31 -7.491 -7.745 -7.723 1.00 0.00 N ATOM 363 CD2 HIS A 31 -7.496 -9.431 -6.339 1.00 0.00 C ATOM 364 CE1 HIS A 31 -6.961 -8.806 -8.334 1.00 0.00 C ATOM 365 NE2 HIS A 31 -6.938 -9.858 -7.539 1.00 0.00 N ATOM 0 H HIS A 31 -7.201 -8.279 -3.558 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.918 -5.867 -5.154 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.193 -7.832 -4.841 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.137 -6.511 -5.992 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.613 -6.817 -8.128 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.630 -10.043 -5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -6.597 -8.804 -9.351 1.00 0.00 H new ATOM 373 N LEU A 32 -8.890 -6.207 -2.550 1.00 0.00 N ATOM 374 CA LEU A 32 -9.684 -5.548 -1.541 1.00 0.00 C ATOM 375 C LEU A 32 -8.776 -5.263 -0.370 1.00 0.00 C ATOM 376 O LEU A 32 -7.782 -5.972 -0.202 1.00 0.00 O ATOM 377 CB LEU A 32 -10.812 -6.468 -1.025 1.00 0.00 C ATOM 378 CG LEU A 32 -12.057 -6.695 -1.889 1.00 0.00 C ATOM 379 CD1 LEU A 32 -11.746 -7.344 -3.231 1.00 0.00 C ATOM 380 CD2 LEU A 32 -13.062 -7.538 -1.121 1.00 0.00 C ATOM 0 H LEU A 32 -8.755 -7.204 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.124 -4.647 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.371 -7.445 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.147 -6.068 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.476 -5.713 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.670 -7.477 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.066 -6.705 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.279 -8.315 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.947 -7.699 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.614 -8.500 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.346 -7.021 -0.205 1.00 0.00 H new ATOM 392 N PRO A 33 -9.089 -4.253 0.464 1.00 0.00 N ATOM 393 CA PRO A 33 -8.345 -4.005 1.702 1.00 0.00 C ATOM 394 C PRO A 33 -8.424 -5.239 2.599 1.00 0.00 C ATOM 395 O PRO A 33 -7.514 -5.543 3.367 1.00 0.00 O ATOM 396 CB PRO A 33 -9.074 -2.811 2.343 1.00 0.00 C ATOM 397 CG PRO A 33 -10.381 -2.704 1.633 1.00 0.00 C ATOM 398 CD PRO A 33 -10.150 -3.246 0.254 1.00 0.00 C ATOM 0 HA PRO A 33 -7.287 -3.799 1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.221 -2.970 3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.494 -1.895 2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.154 -3.272 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.719 -1.669 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.054 -3.693 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.834 -2.466 -0.438 1.00 0.00 H new ATOM 406 N ALA A 34 -9.503 -5.984 2.413 1.00 0.00 N ATOM 407 CA ALA A 34 -9.759 -7.189 3.158 1.00 0.00 C ATOM 408 C ALA A 34 -8.829 -8.337 2.751 1.00 0.00 C ATOM 409 O ALA A 34 -8.297 -9.041 3.605 1.00 0.00 O ATOM 410 CB ALA A 34 -11.204 -7.608 2.951 1.00 0.00 C ATOM 0 H ALA A 34 -10.228 -5.759 1.732 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.568 -6.974 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.402 -8.520 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.866 -6.815 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.382 -7.789 1.891 1.00 0.00 H new ATOM 416 N THR A 35 -8.574 -8.480 1.459 1.00 0.00 N ATOM 417 CA THR A 35 -7.883 -9.656 0.949 1.00 0.00 C ATOM 418 C THR A 35 -6.356 -9.531 0.874 1.00 0.00 C ATOM 419 O THR A 35 -5.677 -10.435 0.375 1.00 0.00 O ATOM 420 CB THR A 35 -8.491 -10.083 -0.413 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.550 -8.970 -1.337 1.00 0.00 O ATOM 422 CG2 THR A 35 -9.902 -10.607 -0.212 1.00 0.00 C ATOM 0 H THR A 35 -8.834 -7.799 0.746 1.00 0.00 H new ATOM 0 HA THR A 35 -8.048 -10.441 1.687 1.00 0.00 H new ATOM 0 HB THR A 35 -7.848 -10.860 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.735 -8.432 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.320 -10.904 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.879 -11.469 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.521 -9.825 0.227 1.00 0.00 H new ATOM 430 N ARG A 36 -5.819 -8.438 1.391 1.00 0.00 N ATOM 431 CA ARG A 36 -4.391 -8.188 1.387 1.00 0.00 C ATOM 432 C ARG A 36 -3.582 -9.178 2.235 1.00 0.00 C ATOM 433 O ARG A 36 -3.886 -9.420 3.403 1.00 0.00 O ATOM 434 CB ARG A 36 -4.161 -6.780 1.864 1.00 0.00 C ATOM 435 CG ARG A 36 -4.857 -5.767 0.995 1.00 0.00 C ATOM 436 CD ARG A 36 -4.701 -4.363 1.509 1.00 0.00 C ATOM 437 NE ARG A 36 -5.298 -3.427 0.562 1.00 0.00 N ATOM 438 CZ ARG A 36 -5.466 -2.111 0.732 1.00 0.00 C ATOM 439 NH1 ARG A 36 -5.082 -1.516 1.848 1.00 0.00 N ATOM 440 NH2 ARG A 36 -6.027 -1.394 -0.235 1.00 0.00 N ATOM 0 H ARG A 36 -6.367 -7.696 1.827 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.034 -8.326 0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.517 -6.683 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.091 -6.572 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.458 -5.826 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.917 -6.012 0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.180 -4.266 2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.645 -4.131 1.649 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.621 -3.818 -0.323 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.651 -2.061 2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.217 -0.511 1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.326 -1.848 -1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.159 -0.390 -0.114 1.00 0.00 H new ATOM 454 N VAL A 37 -2.570 -9.746 1.606 1.00 0.00 N ATOM 455 CA VAL A 37 -1.611 -10.669 2.211 1.00 0.00 C ATOM 456 C VAL A 37 -0.313 -9.898 2.420 1.00 0.00 C ATOM 457 O VAL A 37 0.107 -9.180 1.520 1.00 0.00 O ATOM 458 CB VAL A 37 -1.332 -11.869 1.268 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.377 -12.877 1.891 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.624 -12.541 0.839 1.00 0.00 C ATOM 0 H VAL A 37 -2.381 -9.574 0.619 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.009 -11.055 3.149 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.844 -11.468 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.211 -13.699 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.573 -12.390 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.808 -13.264 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.397 -13.378 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.154 -12.906 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.250 -11.822 0.311 1.00 0.00 H new ATOM 470 N LEU A 38 0.285 -10.021 3.591 1.00 0.00 N ATOM 471 CA LEU A 38 1.497 -9.284 3.958 1.00 0.00 C ATOM 472 C LEU A 38 2.689 -9.738 3.115 1.00 0.00 C ATOM 473 O LEU A 38 3.135 -10.888 3.217 1.00 0.00 O ATOM 474 CB LEU A 38 1.759 -9.487 5.471 1.00 0.00 C ATOM 475 CG LEU A 38 2.847 -8.652 6.194 1.00 0.00 C ATOM 476 CD1 LEU A 38 4.269 -8.951 5.742 1.00 0.00 C ATOM 477 CD2 LEU A 38 2.558 -7.180 6.061 1.00 0.00 C ATOM 0 H LEU A 38 -0.055 -10.640 4.327 1.00 0.00 H new ATOM 0 HA LEU A 38 1.358 -8.221 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.817 -9.307 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.008 -10.538 5.618 1.00 0.00 H new ATOM 0 HG LEU A 38 2.797 -8.950 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.967 -8.324 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.497 -10.001 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.363 -8.743 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.332 -6.609 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.545 -6.906 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.588 -6.958 6.506 1.00 0.00 H new ATOM 489 N LEU A 39 3.167 -8.862 2.250 1.00 0.00 N ATOM 490 CA LEU A 39 4.340 -9.164 1.451 1.00 0.00 C ATOM 491 C LEU A 39 5.626 -8.691 2.121 1.00 0.00 C ATOM 492 O LEU A 39 6.492 -9.499 2.472 1.00 0.00 O ATOM 493 CB LEU A 39 4.206 -8.551 0.057 1.00 0.00 C ATOM 494 CG LEU A 39 2.997 -9.017 -0.747 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.947 -8.325 -2.089 1.00 0.00 C ATOM 496 CD2 LEU A 39 3.039 -10.514 -0.926 1.00 0.00 C ATOM 0 H LEU A 39 2.763 -7.940 2.083 1.00 0.00 H new ATOM 0 HA LEU A 39 4.402 -10.248 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.158 -7.467 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.108 -8.779 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 39 2.094 -8.754 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.077 -8.673 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.876 -7.248 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.852 -8.555 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.171 -10.836 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.950 -10.792 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.027 -10.998 0.051 1.00 0.00 H new ATOM 508 N MET A 40 5.732 -7.388 2.341 1.00 0.00 N ATOM 509 CA MET A 40 6.933 -6.798 2.884 1.00 0.00 C ATOM 510 C MET A 40 6.655 -5.393 3.407 1.00 0.00 C ATOM 511 O MET A 40 5.746 -4.711 2.923 1.00 0.00 O ATOM 512 CB MET A 40 7.956 -6.699 1.755 1.00 0.00 C ATOM 513 CG MET A 40 9.331 -6.340 2.241 1.00 0.00 C ATOM 514 SD MET A 40 10.597 -6.335 0.952 1.00 0.00 S ATOM 515 CE MET A 40 10.522 -8.037 0.395 1.00 0.00 C ATOM 0 H MET A 40 4.988 -6.718 2.147 1.00 0.00 H new ATOM 0 HA MET A 40 7.299 -7.413 3.706 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.000 -7.652 1.227 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.624 -5.951 1.035 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.295 -5.353 2.702 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.624 -7.045 3.019 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.415 -8.270 -0.184 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.466 -8.700 1.258 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.639 -8.177 -0.228 1.00 0.00 H new ATOM 525 N TYR A 41 7.424 -4.986 4.398 1.00 0.00 N ATOM 526 CA TYR A 41 7.388 -3.642 4.944 1.00 0.00 C ATOM 527 C TYR A 41 8.489 -2.847 4.263 1.00 0.00 C ATOM 528 O TYR A 41 9.654 -3.259 4.279 1.00 0.00 O ATOM 529 CB TYR A 41 7.660 -3.648 6.456 1.00 0.00 C ATOM 530 CG TYR A 41 6.634 -4.359 7.309 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.635 -3.646 7.952 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.670 -5.737 7.480 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.695 -4.280 8.736 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.733 -6.380 8.262 1.00 0.00 C ATOM 535 CZ TYR A 41 4.747 -5.647 8.885 1.00 0.00 C ATOM 536 OH TYR A 41 3.814 -6.287 9.666 1.00 0.00 O ATOM 0 H TYR A 41 8.105 -5.592 4.856 1.00 0.00 H new ATOM 0 HA TYR A 41 6.402 -3.209 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.631 -4.111 6.629 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.734 -2.615 6.796 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.592 -2.573 7.837 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.443 -6.313 6.994 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.923 -3.708 9.230 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.772 -7.452 8.385 1.00 0.00 H new ATOM 0 HH TYR A 41 3.992 -7.251 9.665 1.00 0.00 H new ATOM 546 N VAL A 42 8.138 -1.752 3.630 1.00 0.00 N ATOM 547 CA VAL A 42 9.121 -0.927 2.960 1.00 0.00 C ATOM 548 C VAL A 42 9.140 0.446 3.587 1.00 0.00 C ATOM 549 O VAL A 42 8.139 1.151 3.545 1.00 0.00 O ATOM 550 CB VAL A 42 8.827 -0.773 1.460 1.00 0.00 C ATOM 551 CG1 VAL A 42 9.955 -0.035 0.750 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.585 -2.126 0.831 1.00 0.00 C ATOM 0 H VAL A 42 7.179 -1.410 3.564 1.00 0.00 H new ATOM 0 HA VAL A 42 10.086 -1.422 3.070 1.00 0.00 H new ATOM 0 HB VAL A 42 7.923 -0.174 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.718 0.058 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.071 0.958 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.884 -0.593 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.378 -2.001 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.470 -2.750 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.732 -2.604 1.313 1.00 0.00 H new ATOM 562 N ARG A 43 10.245 0.807 4.202 1.00 0.00 N ATOM 563 CA ARG A 43 10.401 2.128 4.769 1.00 0.00 C ATOM 564 C ARG A 43 10.253 3.198 3.724 1.00 0.00 C ATOM 565 O ARG A 43 10.683 3.044 2.581 1.00 0.00 O ATOM 566 CB ARG A 43 11.744 2.314 5.461 1.00 0.00 C ATOM 567 CG ARG A 43 11.874 1.706 6.836 1.00 0.00 C ATOM 568 CD ARG A 43 10.776 2.149 7.798 1.00 0.00 C ATOM 569 NE ARG A 43 10.888 1.501 9.115 1.00 0.00 N ATOM 570 CZ ARG A 43 10.301 1.924 10.245 1.00 0.00 C ATOM 571 NH1 ARG A 43 9.644 3.079 10.269 1.00 0.00 N ATOM 572 NH2 ARG A 43 10.390 1.203 11.356 1.00 0.00 N ATOM 0 H ARG A 43 11.055 0.198 4.322 1.00 0.00 H new ATOM 0 HA ARG A 43 9.608 2.221 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.520 1.889 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.945 3.383 5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.854 0.620 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.844 1.975 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.822 3.231 7.923 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.803 1.919 7.365 1.00 0.00 H new ATOM 0 HE ARG A 43 11.460 0.659 9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.584 3.649 9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.200 3.395 11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.906 0.323 11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.942 1.529 12.213 1.00 0.00 H new ATOM 586 N ILE A 44 9.624 4.263 4.125 1.00 0.00 N ATOM 587 CA ILE A 44 9.461 5.409 3.225 1.00 0.00 C ATOM 588 C ILE A 44 10.825 6.016 2.982 1.00 0.00 C ATOM 589 O ILE A 44 11.560 6.327 3.914 1.00 0.00 O ATOM 590 CB ILE A 44 8.499 6.519 3.717 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.129 5.952 4.030 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.369 7.645 2.695 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.380 5.280 2.915 1.00 0.00 C ATOM 0 H ILE A 44 9.214 4.380 5.052 1.00 0.00 H new ATOM 0 HA ILE A 44 9.001 5.014 2.319 1.00 0.00 H new ATOM 0 HB ILE A 44 8.929 6.932 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.241 5.232 4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.509 6.764 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.686 8.405 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.348 8.092 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.980 7.244 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.418 4.924 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.217 5.992 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.961 4.436 2.544 1.00 0.00 H new ATOM 605 N GLY A 45 11.159 6.126 1.734 1.00 0.00 N ATOM 606 CA GLY A 45 12.437 6.652 1.332 1.00 0.00 C ATOM 607 C GLY A 45 13.330 5.533 0.878 1.00 0.00 C ATOM 608 O GLY A 45 14.337 5.739 0.199 1.00 0.00 O ATOM 0 H GLY A 45 10.555 5.854 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.306 7.374 0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.899 7.183 2.164 1.00 0.00 H new ATOM 612 N ASN A 46 12.921 4.343 1.210 1.00 0.00 N ATOM 613 CA ASN A 46 13.663 3.145 0.933 1.00 0.00 C ATOM 614 C ASN A 46 13.057 2.405 -0.240 1.00 0.00 C ATOM 615 O ASN A 46 11.896 2.610 -0.610 1.00 0.00 O ATOM 616 CB ASN A 46 13.664 2.306 2.198 1.00 0.00 C ATOM 617 CG ASN A 46 14.322 0.944 2.139 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.286 0.721 1.405 1.00 0.00 O ATOM 619 ND2 ASN A 46 13.815 0.036 2.940 1.00 0.00 N ATOM 0 H ASN A 46 12.039 4.173 1.694 1.00 0.00 H new ATOM 0 HA ASN A 46 14.690 3.378 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.155 2.882 2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.628 2.165 2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.220 -0.899 2.972 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.016 0.266 3.530 1.00 0.00 H new ATOM 626 N THR A 47 13.857 1.577 -0.820 1.00 0.00 N ATOM 627 CA THR A 47 13.478 0.772 -1.935 1.00 0.00 C ATOM 628 C THR A 47 13.516 -0.690 -1.532 1.00 0.00 C ATOM 629 O THR A 47 14.292 -1.095 -0.653 1.00 0.00 O ATOM 630 CB THR A 47 14.400 1.004 -3.136 1.00 0.00 C ATOM 631 OG1 THR A 47 15.791 0.925 -2.743 1.00 0.00 O ATOM 632 CG2 THR A 47 14.132 2.335 -3.826 1.00 0.00 C ATOM 0 H THR A 47 14.823 1.436 -0.524 1.00 0.00 H new ATOM 0 HA THR A 47 12.468 1.053 -2.233 1.00 0.00 H new ATOM 0 HB THR A 47 14.183 0.211 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.361 1.075 -3.526 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.812 2.451 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.102 2.359 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.290 3.150 -3.119 1.00 0.00 H new ATOM 640 N ALA A 48 12.698 -1.479 -2.158 1.00 0.00 N ATOM 641 CA ALA A 48 12.623 -2.895 -1.814 1.00 0.00 C ATOM 642 C ALA A 48 12.191 -3.724 -2.993 1.00 0.00 C ATOM 643 O ALA A 48 11.420 -3.266 -3.819 1.00 0.00 O ATOM 644 CB ALA A 48 11.656 -3.112 -0.666 1.00 0.00 C ATOM 0 H ALA A 48 12.071 -1.185 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 48 13.622 -3.211 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.612 -4.174 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.996 -2.553 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.664 -2.765 -0.955 1.00 0.00 H new ATOM 650 N THR A 49 12.706 -4.929 -3.074 1.00 0.00 N ATOM 651 CA THR A 49 12.333 -5.851 -4.115 1.00 0.00 C ATOM 652 C THR A 49 11.387 -6.883 -3.514 1.00 0.00 C ATOM 653 O THR A 49 11.772 -7.665 -2.650 1.00 0.00 O ATOM 654 CB THR A 49 13.575 -6.529 -4.699 1.00 0.00 C ATOM 655 OG1 THR A 49 14.540 -5.511 -5.015 1.00 0.00 O ATOM 656 CG2 THR A 49 13.218 -7.270 -5.968 1.00 0.00 C ATOM 0 H THR A 49 13.396 -5.295 -2.418 1.00 0.00 H new ATOM 0 HA THR A 49 11.837 -5.321 -4.928 1.00 0.00 H new ATOM 0 HB THR A 49 13.978 -7.236 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.344 -5.928 -5.389 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.110 -7.748 -6.373 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.468 -8.030 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.818 -6.567 -6.699 1.00 0.00 H new ATOM 664 N ILE A 50 10.155 -6.840 -3.947 1.00 0.00 N ATOM 665 CA ILE A 50 9.103 -7.690 -3.432 1.00 0.00 C ATOM 666 C ILE A 50 8.941 -8.873 -4.342 1.00 0.00 C ATOM 667 O ILE A 50 8.526 -8.698 -5.477 1.00 0.00 O ATOM 668 CB ILE A 50 7.729 -6.970 -3.494 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.811 -5.499 -3.076 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.689 -7.708 -2.658 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.297 -5.272 -1.677 1.00 0.00 C ATOM 0 H ILE A 50 9.844 -6.203 -4.681 1.00 0.00 H new ATOM 0 HA ILE A 50 9.374 -7.958 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 50 7.418 -6.985 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.473 -4.976 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.823 -5.050 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.735 -7.184 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.570 -8.723 -3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.017 -7.746 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.322 -4.202 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.624 -5.762 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.299 -5.686 -1.568 1.00 0.00 H new ATOM 683 N THR A 51 9.294 -10.047 -3.912 1.00 0.00 N ATOM 684 CA THR A 51 8.934 -11.168 -4.728 1.00 0.00 C ATOM 685 C THR A 51 7.524 -11.568 -4.289 1.00 0.00 C ATOM 686 O THR A 51 7.293 -11.860 -3.107 1.00 0.00 O ATOM 687 CB THR A 51 9.885 -12.347 -4.522 1.00 0.00 C ATOM 688 OG1 THR A 51 11.246 -11.888 -4.573 1.00 0.00 O ATOM 689 CG2 THR A 51 9.656 -13.413 -5.588 1.00 0.00 C ATOM 0 H THR A 51 9.802 -10.250 -3.051 1.00 0.00 H new ATOM 0 HA THR A 51 8.985 -10.902 -5.784 1.00 0.00 H new ATOM 0 HB THR A 51 9.689 -12.787 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.852 -12.646 -4.439 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.342 -14.244 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.629 -13.773 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.833 -12.985 -6.575 1.00 0.00 H new ATOM 697 N ALA A 52 6.615 -11.579 -5.234 1.00 0.00 N ATOM 698 CA ALA A 52 5.235 -11.913 -5.014 1.00 0.00 C ATOM 699 C ALA A 52 4.691 -12.518 -6.288 1.00 0.00 C ATOM 700 O ALA A 52 4.869 -11.952 -7.367 1.00 0.00 O ATOM 701 CB ALA A 52 4.439 -10.672 -4.637 1.00 0.00 C ATOM 0 H ALA A 52 6.825 -11.348 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 52 5.150 -12.624 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.396 -10.944 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.848 -10.241 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.502 -9.941 -5.443 1.00 0.00 H new ATOM 707 N ARG A 53 4.097 -13.697 -6.164 1.00 0.00 N ATOM 708 CA ARG A 53 3.484 -14.451 -7.265 1.00 0.00 C ATOM 709 C ARG A 53 4.518 -14.841 -8.314 1.00 0.00 C ATOM 710 O ARG A 53 4.191 -15.137 -9.465 1.00 0.00 O ATOM 711 CB ARG A 53 2.304 -13.690 -7.889 1.00 0.00 C ATOM 712 CG ARG A 53 1.199 -13.359 -6.901 1.00 0.00 C ATOM 713 CD ARG A 53 0.026 -12.688 -7.593 1.00 0.00 C ATOM 714 NE ARG A 53 -1.010 -12.271 -6.648 1.00 0.00 N ATOM 715 CZ ARG A 53 -2.313 -12.160 -6.926 1.00 0.00 C ATOM 716 NH1 ARG A 53 -2.753 -12.349 -8.160 1.00 0.00 N ATOM 717 NH2 ARG A 53 -3.159 -11.799 -5.978 1.00 0.00 N ATOM 0 H ARG A 53 4.023 -14.177 -5.267 1.00 0.00 H new ATOM 0 HA ARG A 53 3.082 -15.372 -6.843 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.673 -12.765 -8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.887 -14.287 -8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.861 -14.272 -6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.588 -12.703 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.382 -11.819 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.405 -13.375 -8.322 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.714 -12.046 -5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.097 -12.581 -8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.748 -12.263 -8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.818 -11.606 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.154 -11.714 -6.188 1.00 0.00 H new ATOM 731 N GLY A 54 5.759 -14.887 -7.879 1.00 0.00 N ATOM 732 CA GLY A 54 6.863 -15.241 -8.750 1.00 0.00 C ATOM 733 C GLY A 54 7.535 -14.033 -9.372 1.00 0.00 C ATOM 734 O GLY A 54 8.586 -14.155 -9.998 1.00 0.00 O ATOM 0 H GLY A 54 6.032 -14.682 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.600 -15.808 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.499 -15.896 -9.542 1.00 0.00 H new ATOM 738 N HIS A 55 6.953 -12.870 -9.179 1.00 0.00 N ATOM 739 CA HIS A 55 7.478 -11.647 -9.764 1.00 0.00 C ATOM 740 C HIS A 55 8.228 -10.871 -8.710 1.00 0.00 C ATOM 741 O HIS A 55 7.890 -10.948 -7.543 1.00 0.00 O ATOM 742 CB HIS A 55 6.349 -10.744 -10.280 1.00 0.00 C ATOM 743 CG HIS A 55 5.453 -11.330 -11.328 1.00 0.00 C ATOM 744 ND1 HIS A 55 5.636 -11.149 -12.678 1.00 0.00 N ATOM 745 CD2 HIS A 55 4.322 -12.066 -11.201 1.00 0.00 C ATOM 746 CE1 HIS A 55 4.641 -11.754 -13.320 1.00 0.00 C ATOM 747 NE2 HIS A 55 3.808 -12.329 -12.467 1.00 0.00 N ATOM 0 H HIS A 55 6.111 -12.741 -8.619 1.00 0.00 H new ATOM 0 HA HIS A 55 8.127 -11.930 -10.592 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.733 -10.448 -9.431 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.796 -9.835 -10.682 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.890 -12.395 -10.268 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.528 -11.774 -14.394 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.964 -12.856 -12.691 1.00 0.00 H new ATOM 755 N GLU A 56 9.237 -10.153 -9.114 1.00 0.00 N ATOM 756 CA GLU A 56 9.965 -9.278 -8.222 1.00 0.00 C ATOM 757 C GLU A 56 9.679 -7.838 -8.572 1.00 0.00 C ATOM 758 O GLU A 56 9.992 -7.371 -9.669 1.00 0.00 O ATOM 759 CB GLU A 56 11.451 -9.548 -8.264 1.00 0.00 C ATOM 760 CG GLU A 56 11.875 -10.541 -7.216 1.00 0.00 C ATOM 761 CD GLU A 56 13.279 -11.036 -7.392 1.00 0.00 C ATOM 762 OE1 GLU A 56 13.489 -12.118 -7.975 1.00 0.00 O ATOM 763 OE2 GLU A 56 14.227 -10.366 -6.951 1.00 0.00 O ATOM 0 H GLU A 56 9.584 -10.154 -10.073 1.00 0.00 H new ATOM 0 HA GLU A 56 9.628 -9.476 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.723 -9.924 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.993 -8.614 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.781 -10.081 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.193 -11.391 -7.236 1.00 0.00 H new ATOM 770 N PHE A 57 9.081 -7.143 -7.647 1.00 0.00 N ATOM 771 CA PHE A 57 8.720 -5.773 -7.850 1.00 0.00 C ATOM 772 C PHE A 57 9.637 -4.917 -7.028 1.00 0.00 C ATOM 773 O PHE A 57 9.553 -4.931 -5.809 1.00 0.00 O ATOM 774 CB PHE A 57 7.285 -5.533 -7.382 1.00 0.00 C ATOM 775 CG PHE A 57 6.243 -6.366 -8.064 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.686 -5.953 -9.261 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.808 -7.551 -7.496 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.714 -6.709 -9.878 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.842 -8.312 -8.110 1.00 0.00 C ATOM 780 CZ PHE A 57 4.292 -7.890 -9.302 1.00 0.00 C ATOM 0 H PHE A 57 8.830 -7.513 -6.730 1.00 0.00 H new ATOM 0 HA PHE A 57 8.800 -5.529 -8.909 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.233 -5.722 -6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.042 -4.481 -7.533 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.016 -5.030 -9.715 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.233 -7.881 -6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.283 -6.378 -10.811 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.515 -9.238 -7.660 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.530 -8.484 -9.785 1.00 0.00 H new ATOM 790 N GLU A 58 10.541 -4.213 -7.653 1.00 0.00 N ATOM 791 CA GLU A 58 11.365 -3.335 -6.886 1.00 0.00 C ATOM 792 C GLU A 58 10.611 -2.034 -6.830 1.00 0.00 C ATOM 793 O GLU A 58 10.370 -1.408 -7.850 1.00 0.00 O ATOM 794 CB GLU A 58 12.764 -3.163 -7.468 1.00 0.00 C ATOM 795 CG GLU A 58 13.647 -2.336 -6.573 1.00 0.00 C ATOM 796 CD GLU A 58 14.994 -2.027 -7.165 1.00 0.00 C ATOM 797 OE1 GLU A 58 16.018 -2.476 -6.617 1.00 0.00 O ATOM 798 OE2 GLU A 58 15.058 -1.306 -8.180 1.00 0.00 O ATOM 0 H GLU A 58 10.719 -4.230 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 58 11.546 -3.744 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.217 -4.143 -7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.694 -2.689 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.139 -1.400 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.788 -2.863 -5.630 1.00 0.00 H new ATOM 805 N VAL A 59 10.167 -1.684 -5.665 1.00 0.00 N ATOM 806 CA VAL A 59 9.367 -0.507 -5.497 1.00 0.00 C ATOM 807 C VAL A 59 10.210 0.610 -4.943 1.00 0.00 C ATOM 808 O VAL A 59 11.309 0.382 -4.405 1.00 0.00 O ATOM 809 CB VAL A 59 8.162 -0.740 -4.560 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.343 -1.956 -4.952 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.629 -0.870 -3.153 1.00 0.00 C ATOM 0 H VAL A 59 10.346 -2.202 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 59 8.979 -0.243 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 59 7.510 0.128 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.509 -2.072 -4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.959 -1.825 -5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.972 -2.846 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.773 -1.034 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.313 -1.715 -3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.144 0.043 -2.855 1.00 0.00 H new ATOM 821 N GLU A 60 9.688 1.788 -5.077 1.00 0.00 N ATOM 822 CA GLU A 60 10.295 2.961 -4.553 1.00 0.00 C ATOM 823 C GLU A 60 9.258 3.569 -3.643 1.00 0.00 C ATOM 824 O GLU A 60 8.245 4.095 -4.113 1.00 0.00 O ATOM 825 CB GLU A 60 10.700 3.894 -5.705 1.00 0.00 C ATOM 826 CG GLU A 60 11.353 5.207 -5.296 1.00 0.00 C ATOM 827 CD GLU A 60 11.795 6.035 -6.490 1.00 0.00 C ATOM 828 OE1 GLU A 60 10.954 6.487 -7.290 1.00 0.00 O ATOM 829 OE2 GLU A 60 13.006 6.268 -6.652 1.00 0.00 O ATOM 0 H GLU A 60 8.809 1.960 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 60 11.212 2.762 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.387 3.356 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.811 4.120 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.651 5.786 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.216 4.998 -4.664 1.00 0.00 H new ATOM 836 N ALA A 61 9.446 3.406 -2.350 1.00 0.00 N ATOM 837 CA ALA A 61 8.504 3.978 -1.405 1.00 0.00 C ATOM 838 C ALA A 61 8.788 5.462 -1.290 1.00 0.00 C ATOM 839 O ALA A 61 9.612 5.909 -0.494 1.00 0.00 O ATOM 840 CB ALA A 61 8.556 3.289 -0.049 1.00 0.00 C ATOM 0 H ALA A 61 10.224 2.894 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 61 7.490 3.823 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.833 3.753 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.315 2.233 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.557 3.388 0.371 1.00 0.00 H new ATOM 846 N LYS A 62 8.139 6.198 -2.157 1.00 0.00 N ATOM 847 CA LYS A 62 8.331 7.632 -2.290 1.00 0.00 C ATOM 848 C LYS A 62 7.641 8.398 -1.180 1.00 0.00 C ATOM 849 O LYS A 62 8.245 9.212 -0.483 1.00 0.00 O ATOM 850 CB LYS A 62 7.746 8.103 -3.627 1.00 0.00 C ATOM 851 CG LYS A 62 8.082 7.176 -4.772 1.00 0.00 C ATOM 852 CD LYS A 62 7.698 7.722 -6.136 1.00 0.00 C ATOM 853 CE LYS A 62 8.587 8.882 -6.540 1.00 0.00 C ATOM 854 NZ LYS A 62 8.254 9.384 -7.890 1.00 0.00 N ATOM 0 H LYS A 62 7.449 5.817 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 62 9.403 7.825 -2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.663 8.183 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.122 9.101 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.153 6.973 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.575 6.223 -4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.772 6.929 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.658 8.048 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.482 9.690 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.630 8.566 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.883 10.177 -8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.378 8.620 -8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.266 9.709 -7.906 1.00 0.00 H new ATOM 868 N ASP A 63 6.383 8.105 -1.019 1.00 0.00 N ATOM 869 CA ASP A 63 5.502 8.845 -0.133 1.00 0.00 C ATOM 870 C ASP A 63 4.558 7.862 0.531 1.00 0.00 C ATOM 871 O ASP A 63 4.281 6.816 -0.061 1.00 0.00 O ATOM 872 CB ASP A 63 4.754 9.852 -1.009 1.00 0.00 C ATOM 873 CG ASP A 63 3.689 10.644 -0.308 1.00 0.00 C ATOM 874 OD1 ASP A 63 2.522 10.257 -0.386 1.00 0.00 O ATOM 875 OD2 ASP A 63 3.988 11.702 0.286 1.00 0.00 O ATOM 0 H ASP A 63 5.923 7.334 -1.503 1.00 0.00 H new ATOM 0 HA ASP A 63 6.037 9.374 0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.478 10.546 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.297 9.316 -1.841 1.00 0.00 H new ATOM 880 N GLN A 64 4.048 8.166 1.725 1.00 0.00 N ATOM 881 CA GLN A 64 3.224 7.185 2.417 1.00 0.00 C ATOM 882 C GLN A 64 1.737 7.255 2.103 1.00 0.00 C ATOM 883 O GLN A 64 0.882 6.889 2.925 1.00 0.00 O ATOM 884 CB GLN A 64 3.479 7.029 3.916 1.00 0.00 C ATOM 885 CG GLN A 64 3.194 8.205 4.812 1.00 0.00 C ATOM 886 CD GLN A 64 3.052 7.701 6.226 1.00 0.00 C ATOM 887 OE1 GLN A 64 4.012 7.627 7.005 1.00 0.00 O ATOM 888 NE2 GLN A 64 1.845 7.305 6.554 1.00 0.00 N ATOM 0 H GLN A 64 4.185 9.050 2.215 1.00 0.00 H new ATOM 0 HA GLN A 64 3.590 6.261 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.882 6.188 4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.526 6.755 4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.001 8.935 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.282 8.711 4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.082 7.384 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.670 6.918 7.481 1.00 0.00 H new ATOM 897 N ASN A 65 1.416 7.697 0.906 1.00 0.00 N ATOM 898 CA ASN A 65 0.065 7.485 0.417 1.00 0.00 C ATOM 899 C ASN A 65 0.020 6.062 -0.106 1.00 0.00 C ATOM 900 O ASN A 65 -1.040 5.490 -0.356 1.00 0.00 O ATOM 901 CB ASN A 65 -0.389 8.520 -0.607 1.00 0.00 C ATOM 902 CG ASN A 65 -0.861 9.793 0.064 1.00 0.00 C ATOM 903 OD1 ASN A 65 -2.042 9.942 0.369 1.00 0.00 O ATOM 904 ND2 ASN A 65 0.034 10.711 0.322 1.00 0.00 N ATOM 0 H ASN A 65 2.044 8.189 0.271 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.653 7.620 1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.433 8.748 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.195 8.106 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.242 11.576 0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.008 10.562 0.058 1.00 0.00 H new ATOM 911 N CYS A 66 1.229 5.525 -0.261 1.00 0.00 N ATOM 912 CA CYS A 66 1.500 4.135 -0.539 1.00 0.00 C ATOM 913 C CYS A 66 1.036 3.661 -1.888 1.00 0.00 C ATOM 914 O CYS A 66 0.637 2.507 -2.069 1.00 0.00 O ATOM 915 CB CYS A 66 1.016 3.261 0.606 1.00 0.00 C ATOM 916 SG CYS A 66 1.910 3.567 2.168 1.00 0.00 S ATOM 0 H CYS A 66 2.080 6.083 -0.191 1.00 0.00 H new ATOM 0 HA CYS A 66 2.584 4.038 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.048 3.435 0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.130 2.213 0.328 1.00 0.00 H new ATOM 921 N LYS A 67 1.119 4.546 -2.845 1.00 0.00 N ATOM 922 CA LYS A 67 0.905 4.191 -4.194 1.00 0.00 C ATOM 923 C LYS A 67 2.061 3.287 -4.577 1.00 0.00 C ATOM 924 O LYS A 67 3.228 3.600 -4.303 1.00 0.00 O ATOM 925 CB LYS A 67 0.928 5.426 -5.073 1.00 0.00 C ATOM 926 CG LYS A 67 0.265 5.260 -6.427 1.00 0.00 C ATOM 927 CD LYS A 67 -1.242 5.167 -6.267 1.00 0.00 C ATOM 928 CE LYS A 67 -1.777 3.739 -6.217 1.00 0.00 C ATOM 929 NZ LYS A 67 -3.257 3.702 -6.137 1.00 0.00 N ATOM 0 H LYS A 67 1.338 5.531 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.061 3.702 -4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.437 6.241 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.965 5.725 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.518 6.103 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.642 4.362 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.532 5.684 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.717 5.693 -7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.448 3.198 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.354 3.224 -5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.578 2.713 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.571 4.196 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.662 4.171 -6.973 1.00 0.00 H new ATOM 943 N VAL A 68 1.748 2.168 -5.155 1.00 0.00 N ATOM 944 CA VAL A 68 2.781 1.249 -5.536 1.00 0.00 C ATOM 945 C VAL A 68 3.375 1.644 -6.875 1.00 0.00 C ATOM 946 O VAL A 68 2.807 1.419 -7.953 1.00 0.00 O ATOM 947 CB VAL A 68 2.374 -0.242 -5.442 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.099 -0.539 -6.222 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.525 -1.133 -5.895 1.00 0.00 C ATOM 0 H VAL A 68 0.797 1.869 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 68 3.573 1.332 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 68 2.156 -0.463 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.852 -1.597 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.281 0.061 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.250 -0.295 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.225 -2.179 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.782 -0.899 -6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.392 -0.960 -5.257 1.00 0.00 H new ATOM 959 N ILE A 69 4.501 2.288 -6.758 1.00 0.00 N ATOM 960 CA ILE A 69 5.242 2.800 -7.871 1.00 0.00 C ATOM 961 C ILE A 69 6.531 2.052 -7.841 1.00 0.00 C ATOM 962 O ILE A 69 7.236 2.042 -6.817 1.00 0.00 O ATOM 963 CB ILE A 69 5.507 4.313 -7.699 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.170 5.031 -7.559 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.284 4.863 -8.894 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.262 6.461 -7.077 1.00 0.00 C ATOM 0 H ILE A 69 4.941 2.476 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 69 4.705 2.676 -8.812 1.00 0.00 H new ATOM 0 HB ILE A 69 6.109 4.478 -6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.666 5.021 -8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.543 4.469 -6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.460 5.929 -8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.239 4.345 -8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.707 4.708 -9.806 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.261 6.887 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.734 6.484 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.858 7.044 -7.779 1.00 0.00 H new ATOM 978 N LEU A 70 6.820 1.387 -8.907 1.00 0.00 N ATOM 979 CA LEU A 70 8.004 0.619 -8.935 1.00 0.00 C ATOM 980 C LEU A 70 9.167 1.496 -9.295 1.00 0.00 C ATOM 981 O LEU A 70 8.999 2.629 -9.754 1.00 0.00 O ATOM 982 CB LEU A 70 7.956 -0.577 -9.885 1.00 0.00 C ATOM 983 CG LEU A 70 6.854 -1.621 -9.710 1.00 0.00 C ATOM 984 CD1 LEU A 70 6.601 -1.965 -8.264 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.615 -1.203 -10.425 1.00 0.00 C ATOM 0 H LEU A 70 6.257 1.363 -9.757 1.00 0.00 H new ATOM 0 HA LEU A 70 8.117 0.207 -7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.881 -0.187 -10.900 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.913 -1.094 -9.811 1.00 0.00 H new ATOM 0 HG LEU A 70 7.204 -2.546 -10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.809 -2.711 -8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.513 -2.365 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.299 -1.068 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.843 -1.960 -10.288 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.266 -0.252 -10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.829 -1.091 -11.488 1.00 0.00 H new ATOM 997 N THR A 71 10.332 0.977 -9.083 1.00 0.00 N ATOM 998 CA THR A 71 11.568 1.663 -9.473 1.00 0.00 C ATOM 999 C THR A 71 11.656 1.858 -10.987 1.00 0.00 C ATOM 1000 O THR A 71 12.360 2.741 -11.482 1.00 0.00 O ATOM 1001 CB THR A 71 12.805 0.941 -8.949 1.00 0.00 C ATOM 1002 OG1 THR A 71 12.798 -0.436 -9.363 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.801 1.012 -7.448 1.00 0.00 C ATOM 0 H THR A 71 10.477 0.071 -8.638 1.00 0.00 H new ATOM 0 HA THR A 71 11.537 2.650 -9.011 1.00 0.00 H new ATOM 0 HB THR A 71 13.699 1.418 -9.350 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.624 -0.871 -9.066 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.680 0.500 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.819 2.055 -7.133 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.901 0.533 -7.063 1.00 0.00 H new ATOM 1011 N ASN A 72 10.914 1.049 -11.725 1.00 0.00 N ATOM 1012 CA ASN A 72 10.812 1.205 -13.162 1.00 0.00 C ATOM 1013 C ASN A 72 9.858 2.345 -13.527 1.00 0.00 C ATOM 1014 O ASN A 72 9.578 2.590 -14.698 1.00 0.00 O ATOM 1015 CB ASN A 72 10.453 -0.110 -13.864 1.00 0.00 C ATOM 1016 CG ASN A 72 9.205 -0.783 -13.340 1.00 0.00 C ATOM 1017 OD1 ASN A 72 9.273 -1.579 -12.421 1.00 0.00 O ATOM 1018 ND2 ASN A 72 8.068 -0.487 -13.922 1.00 0.00 N ATOM 0 H ASN A 72 10.371 0.273 -11.347 1.00 0.00 H new ATOM 0 HA ASN A 72 11.799 1.482 -13.532 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.325 0.085 -14.929 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.291 -0.800 -13.765 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.204 -0.928 -13.607 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.048 0.185 -14.689 1.00 0.00 H new ATOM 1025 N GLY A 73 9.294 2.990 -12.511 1.00 0.00 N ATOM 1026 CA GLY A 73 8.539 4.203 -12.691 1.00 0.00 C ATOM 1027 C GLY A 73 7.081 3.946 -12.836 1.00 0.00 C ATOM 1028 O GLY A 73 6.253 4.799 -12.506 1.00 0.00 O ATOM 0 H GLY A 73 9.354 2.677 -11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.706 4.862 -11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.903 4.727 -13.575 1.00 0.00 H new ATOM 1032 N LYS A 74 6.762 2.771 -13.312 1.00 0.00 N ATOM 1033 CA LYS A 74 5.407 2.436 -13.569 1.00 0.00 C ATOM 1034 C LYS A 74 4.646 1.988 -12.345 1.00 0.00 C ATOM 1035 O LYS A 74 5.216 1.745 -11.277 1.00 0.00 O ATOM 1036 CB LYS A 74 5.317 1.410 -14.686 1.00 0.00 C ATOM 1037 CG LYS A 74 6.006 1.859 -15.945 1.00 0.00 C ATOM 1038 CD LYS A 74 5.910 0.839 -17.060 1.00 0.00 C ATOM 1039 CE LYS A 74 6.565 -0.497 -16.722 1.00 0.00 C ATOM 1040 NZ LYS A 74 6.480 -1.473 -17.830 1.00 0.00 N ATOM 0 H LYS A 74 7.434 2.034 -13.527 1.00 0.00 H new ATOM 0 HA LYS A 74 4.918 3.356 -13.890 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.760 0.473 -14.349 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.268 1.207 -14.903 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.567 2.799 -16.279 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.056 2.057 -15.729 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.860 0.670 -17.297 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.377 1.247 -17.956 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.612 -0.330 -16.471 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.088 -0.917 -15.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.940 -2.361 -17.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.481 -1.657 -18.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.959 -1.088 -18.669 1.00 0.00 H new ATOM 1054 N GLN A 75 3.355 1.936 -12.540 1.00 0.00 N ATOM 1055 CA GLN A 75 2.393 1.463 -11.576 1.00 0.00 C ATOM 1056 C GLN A 75 2.440 -0.057 -11.581 1.00 0.00 C ATOM 1057 O GLN A 75 2.769 -0.680 -12.600 1.00 0.00 O ATOM 1058 CB GLN A 75 0.988 1.902 -11.999 1.00 0.00 C ATOM 1059 CG GLN A 75 -0.114 1.524 -11.013 1.00 0.00 C ATOM 1060 CD GLN A 75 -1.509 1.730 -11.563 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -2.447 2.027 -10.825 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -1.685 1.525 -12.850 1.00 0.00 N ATOM 0 H GLN A 75 2.924 2.236 -13.415 1.00 0.00 H new ATOM 0 HA GLN A 75 2.621 1.864 -10.588 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.983 2.984 -12.133 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.759 1.460 -12.968 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.006 0.479 -10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.002 2.116 -10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.890 1.280 -13.441 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.616 1.611 -13.258 1.00 0.00 H new ATOM 1071 N ALA A 76 2.132 -0.631 -10.464 1.00 0.00 N ATOM 1072 CA ALA A 76 2.092 -2.070 -10.309 1.00 0.00 C ATOM 1073 C ALA A 76 0.657 -2.587 -10.479 1.00 0.00 C ATOM 1074 O ALA A 76 -0.282 -1.778 -10.442 1.00 0.00 O ATOM 1075 CB ALA A 76 2.642 -2.413 -8.946 1.00 0.00 C ATOM 0 H ALA A 76 1.896 -0.117 -9.615 1.00 0.00 H new ATOM 0 HA ALA A 76 2.700 -2.551 -11.076 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.622 -3.494 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.669 -2.056 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.033 -1.937 -8.178 1.00 0.00 H new ATOM 1081 N PRO A 77 0.466 -3.922 -10.680 1.00 0.00 N ATOM 1082 CA PRO A 77 -0.857 -4.549 -10.862 1.00 0.00 C ATOM 1083 C PRO A 77 -1.910 -4.176 -9.822 1.00 0.00 C ATOM 1084 O PRO A 77 -1.597 -3.810 -8.679 1.00 0.00 O ATOM 1085 CB PRO A 77 -0.568 -6.047 -10.778 1.00 0.00 C ATOM 1086 CG PRO A 77 0.838 -6.174 -10.321 1.00 0.00 C ATOM 1087 CD PRO A 77 1.525 -4.945 -10.790 1.00 0.00 C ATOM 0 HA PRO A 77 -1.290 -4.209 -11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.249 -6.536 -10.082 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.706 -6.525 -11.748 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.891 -6.262 -9.236 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.306 -7.067 -10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.389 -4.702 -10.171 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.885 -5.047 -11.814 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.157 -4.326 -10.239 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.372 -4.024 -9.468 1.00 0.00 C ATOM 1097 C ASP A 78 -4.377 -4.686 -8.089 1.00 0.00 C ATOM 1098 O ASP A 78 -4.850 -4.112 -7.109 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.588 -4.495 -10.280 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.924 -4.360 -9.573 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -7.461 -3.234 -9.490 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -7.504 -5.394 -9.156 1.00 0.00 O ATOM 0 H ASP A 78 -3.370 -4.680 -11.172 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.408 -2.948 -9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.627 -3.927 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.442 -5.541 -10.551 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.806 -5.871 -8.017 1.00 0.00 N ATOM 1108 CA TRP A 79 -3.769 -6.645 -6.785 1.00 0.00 C ATOM 1109 C TRP A 79 -2.648 -6.199 -5.843 1.00 0.00 C ATOM 1110 O TRP A 79 -2.645 -6.546 -4.667 1.00 0.00 O ATOM 1111 CB TRP A 79 -3.609 -8.136 -7.106 1.00 0.00 C ATOM 1112 CG TRP A 79 -2.361 -8.494 -7.853 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -2.248 -8.609 -9.188 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.056 -8.787 -7.316 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -0.976 -8.969 -9.532 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -0.220 -9.078 -8.402 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.518 -8.829 -6.028 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 1.122 -9.410 -8.247 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.813 -9.158 -5.873 1.00 0.00 C ATOM 1120 CH2 TRP A 79 1.619 -9.442 -6.976 1.00 0.00 C ATOM 0 H TRP A 79 -3.353 -6.328 -8.809 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.715 -6.471 -6.272 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -3.628 -8.697 -6.172 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.470 -8.460 -7.691 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.051 -8.440 -9.890 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -0.644 -9.131 -10.483 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.133 -8.608 -5.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.746 -9.634 -9.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.238 -9.196 -4.881 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.658 -9.692 -6.821 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.693 -5.453 -6.342 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.585 -5.069 -5.523 1.00 0.00 C ATOM 1133 C LEU A 80 -0.981 -3.802 -4.780 1.00 0.00 C ATOM 1134 O LEU A 80 -1.328 -2.785 -5.397 1.00 0.00 O ATOM 1135 CB LEU A 80 0.686 -4.888 -6.372 1.00 0.00 C ATOM 1136 CG LEU A 80 1.991 -4.808 -5.573 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.176 -6.040 -4.722 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.197 -4.673 -6.474 1.00 0.00 C ATOM 0 H LEU A 80 -1.666 -5.106 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.346 -5.847 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.757 -5.719 -7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.583 -3.978 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 80 1.913 -3.922 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.109 -5.960 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.343 -6.129 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.210 -6.922 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.101 -4.620 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.255 -5.537 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.106 -3.765 -7.070 1.00 0.00 H new ATOM 1150 N ALA A 81 -0.989 -3.883 -3.473 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.411 -2.784 -2.633 1.00 0.00 C ATOM 1152 C ALA A 81 -0.346 -2.444 -1.647 1.00 0.00 C ATOM 1153 O ALA A 81 0.609 -3.190 -1.456 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.667 -3.143 -1.859 1.00 0.00 C ATOM 0 H ALA A 81 -0.702 -4.715 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.609 -1.934 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.963 -2.300 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.470 -3.378 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.470 -4.010 -1.228 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.526 -1.320 -1.027 1.00 0.00 N ATOM 1161 CA ALA A 82 0.339 -0.869 0.019 1.00 0.00 C ATOM 1162 C ALA A 82 -0.441 0.053 0.932 1.00 0.00 C ATOM 1163 O ALA A 82 -1.296 0.819 0.471 1.00 0.00 O ATOM 1164 CB ALA A 82 1.570 -0.174 -0.544 1.00 0.00 C ATOM 0 H ALA A 82 -1.291 -0.679 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 82 0.695 -1.727 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.208 0.157 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.123 -0.869 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.262 0.688 -1.136 1.00 0.00 H new ATOM 1170 N GLU A 83 -0.202 -0.071 2.208 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.788 0.790 3.206 1.00 0.00 C ATOM 1172 C GLU A 83 0.281 0.975 4.255 1.00 0.00 C ATOM 1173 O GLU A 83 1.064 0.060 4.451 1.00 0.00 O ATOM 1174 CB GLU A 83 -2.080 0.185 3.786 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.944 -1.215 4.351 1.00 0.00 C ATOM 1176 CD GLU A 83 -3.231 -1.716 4.954 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -3.403 -1.618 6.186 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -4.106 -2.215 4.207 1.00 0.00 O ATOM 0 H GLU A 83 0.416 -0.785 2.594 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.093 1.749 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.448 0.843 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.838 0.171 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.627 -1.895 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.162 -1.224 5.110 1.00 0.00 H new ATOM 1185 N PRO A 84 0.419 2.147 4.867 1.00 0.00 N ATOM 1186 CA PRO A 84 1.445 2.362 5.864 1.00 0.00 C ATOM 1187 C PRO A 84 1.124 1.626 7.172 1.00 0.00 C ATOM 1188 O PRO A 84 -0.039 1.538 7.593 1.00 0.00 O ATOM 1189 CB PRO A 84 1.486 3.886 5.953 1.00 0.00 C ATOM 1190 CG PRO A 84 0.072 4.265 5.763 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.371 3.373 4.642 1.00 0.00 C ATOM 0 HA PRO A 84 2.426 1.955 5.620 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.869 4.224 6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.127 4.319 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.515 4.099 6.666 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.032 5.319 5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.442 3.176 4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.163 3.815 3.667 1.00 0.00 H new ATOM 1199 N TYR A 85 2.169 1.070 7.758 1.00 0.00 N ATOM 1200 CA TYR A 85 2.078 0.169 8.904 1.00 0.00 C ATOM 1201 C TYR A 85 1.522 0.829 10.175 1.00 0.00 C ATOM 1202 O TYR A 85 2.163 1.723 10.739 1.00 0.00 O ATOM 1203 CB TYR A 85 3.411 -0.616 9.076 1.00 0.00 C ATOM 1204 CG TYR A 85 4.287 -0.339 10.283 1.00 0.00 C ATOM 1205 CD1 TYR A 85 5.204 0.697 10.287 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.211 -1.145 11.409 1.00 0.00 C ATOM 1207 CE1 TYR A 85 6.018 0.931 11.371 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.018 -0.918 12.504 1.00 0.00 C ATOM 1209 CZ TYR A 85 5.921 0.121 12.479 1.00 0.00 C ATOM 1210 OH TYR A 85 6.738 0.352 13.568 1.00 0.00 O ATOM 1211 OXT TYR A 85 0.429 0.422 10.639 1.00 0.00 O ATOM 0 H TYR A 85 3.127 1.233 7.448 1.00 0.00 H new ATOM 0 HA TYR A 85 1.312 -0.577 8.693 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.166 -1.678 9.086 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.014 -0.436 8.186 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.282 1.336 9.420 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.508 -1.964 11.429 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.728 1.745 11.352 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.942 -1.551 13.376 1.00 0.00 H new ATOM 0 HH TYR A 85 6.545 -0.306 14.268 1.00 0.00 H new TER 1221 TYR A 85