USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 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 16 TYR OH : rot 112:sc= -2.51! USER MOD Set 1.2: A 18 SER OG : rot 98:sc= 0.247 USER MOD Single : A 9 THR OG1 : rot 18:sc= 0.753 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.728 USER MOD Single : A 25 SER OG : rot -70:sc= 0.729 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0183 K(o=-0.018,f=-0.6) USER MOD Single : A 36 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.1!) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.35 F(o=-2.7,f=-1.3) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 46 HIS : no HE2:sc= -8.46! C(o=-8.5!,f=-10!) USER MOD Single : A 47 SER OG : rot -140:sc= 0.311 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0913 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 130:sc= 0.0527 USER MOD Single : A 59 ASN : amide:sc= -0.0764 K(o=-0.076,f=-2.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.482 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 14.793 14.995 -5.200 1.00 0.00 N ATOM 2 CA THR A 9 14.503 14.462 -3.839 1.00 0.00 C ATOM 3 C THR A 9 13.523 13.293 -3.948 1.00 0.00 C ATOM 4 O THR A 9 12.360 13.472 -4.252 1.00 0.00 O ATOM 5 CB THR A 9 13.887 15.569 -2.979 1.00 0.00 C ATOM 6 OG1 THR A 9 14.321 16.834 -3.457 1.00 0.00 O ATOM 7 CG2 THR A 9 14.326 15.391 -1.526 1.00 0.00 C ATOM 0 HA THR A 9 15.428 14.117 -3.378 1.00 0.00 H new ATOM 0 HB THR A 9 12.800 15.513 -3.036 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.665 16.738 -4.370 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.887 16.179 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.991 14.420 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.413 15.447 -1.465 1.00 0.00 H new ATOM 17 N PHE A 10 13.981 12.096 -3.702 1.00 0.00 N ATOM 18 CA PHE A 10 13.074 10.917 -3.794 1.00 0.00 C ATOM 19 C PHE A 10 12.915 10.284 -2.410 1.00 0.00 C ATOM 20 O PHE A 10 13.306 10.850 -1.408 1.00 0.00 O ATOM 21 CB PHE A 10 13.669 9.891 -4.759 1.00 0.00 C ATOM 22 CG PHE A 10 13.160 10.169 -6.176 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.479 11.353 -6.815 1.00 0.00 C ATOM 24 CD2 PHE A 10 12.377 9.238 -6.834 1.00 0.00 C ATOM 25 CE1 PHE A 10 13.024 11.602 -8.094 1.00 0.00 C ATOM 26 CE2 PHE A 10 11.922 9.488 -8.112 1.00 0.00 C ATOM 27 CZ PHE A 10 12.244 10.669 -8.742 1.00 0.00 C ATOM 0 H PHE A 10 14.944 11.884 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 10 12.098 11.237 -4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.758 9.942 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.390 8.883 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.088 12.088 -6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.120 8.310 -6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.279 12.528 -8.587 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.312 8.756 -8.620 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.886 10.864 -9.742 1.00 0.00 H new ATOM 37 N VAL A 11 12.344 9.111 -2.346 1.00 0.00 N ATOM 38 CA VAL A 11 12.160 8.443 -1.028 1.00 0.00 C ATOM 39 C VAL A 11 12.173 6.927 -1.222 1.00 0.00 C ATOM 40 O VAL A 11 11.482 6.394 -2.066 1.00 0.00 O ATOM 41 CB VAL A 11 10.821 8.864 -0.418 1.00 0.00 C ATOM 42 CG1 VAL A 11 10.767 8.421 1.045 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.679 10.386 -0.496 1.00 0.00 C ATOM 0 H VAL A 11 11.998 8.588 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 11 12.970 8.735 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 11 10.007 8.396 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.814 8.720 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.867 7.337 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.582 8.890 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.725 10.685 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.493 10.856 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.718 10.702 -1.538 1.00 0.00 H new ATOM 53 N ALA A 12 12.954 6.226 -0.447 1.00 0.00 N ATOM 54 CA ALA A 12 13.007 4.745 -0.593 1.00 0.00 C ATOM 55 C ALA A 12 11.698 4.140 -0.083 1.00 0.00 C ATOM 56 O ALA A 12 11.586 3.758 1.065 1.00 0.00 O ATOM 57 CB ALA A 12 14.177 4.192 0.224 1.00 0.00 C ATOM 0 H ALA A 12 13.556 6.614 0.279 1.00 0.00 H new ATOM 0 HA ALA A 12 13.145 4.487 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.215 3.108 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.110 4.626 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.040 4.448 1.275 1.00 0.00 H new ATOM 63 N LEU A 13 10.708 4.055 -0.930 1.00 0.00 N ATOM 64 CA LEU A 13 9.402 3.476 -0.503 1.00 0.00 C ATOM 65 C LEU A 13 9.641 2.249 0.374 1.00 0.00 C ATOM 66 O LEU A 13 9.118 2.141 1.464 1.00 0.00 O ATOM 67 CB LEU A 13 8.608 3.045 -1.733 1.00 0.00 C ATOM 68 CG LEU A 13 7.766 4.207 -2.249 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.929 3.719 -3.431 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.843 4.705 -1.136 1.00 0.00 C ATOM 0 H LEU A 13 10.748 4.362 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 13 8.849 4.230 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.289 2.705 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.964 2.202 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 13 8.414 5.024 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.321 4.541 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.589 3.361 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.279 2.907 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.242 5.535 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.186 3.895 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.442 5.040 -0.289 1.00 0.00 H new ATOM 82 N TYR A 14 10.428 1.322 -0.095 1.00 0.00 N ATOM 83 CA TYR A 14 10.693 0.101 0.718 1.00 0.00 C ATOM 84 C TYR A 14 12.175 -0.269 0.656 1.00 0.00 C ATOM 85 O TYR A 14 13.030 0.563 0.422 1.00 0.00 O ATOM 86 CB TYR A 14 9.886 -1.065 0.157 1.00 0.00 C ATOM 87 CG TYR A 14 8.444 -0.626 -0.112 1.00 0.00 C ATOM 88 CD1 TYR A 14 8.082 -0.103 -1.338 1.00 0.00 C ATOM 89 CD2 TYR A 14 7.479 -0.777 0.861 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.772 0.257 -1.586 1.00 0.00 C ATOM 91 CE2 TYR A 14 6.169 -0.416 0.612 1.00 0.00 C ATOM 92 CZ TYR A 14 5.807 0.103 -0.613 1.00 0.00 C ATOM 93 OH TYR A 14 4.498 0.463 -0.863 1.00 0.00 O ATOM 0 H TYR A 14 10.897 1.355 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 14 10.409 0.304 1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.343 -1.423 -0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.896 -1.897 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.828 0.025 -2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.749 -1.181 1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.501 0.662 -2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.423 -0.541 1.383 1.00 0.00 H new ATOM 0 HH TYR A 14 3.953 0.286 -0.068 1.00 0.00 H new ATOM 103 N ASP A 15 12.476 -1.522 0.870 1.00 0.00 N ATOM 104 CA ASP A 15 13.892 -1.978 0.829 1.00 0.00 C ATOM 105 C ASP A 15 14.154 -2.666 -0.511 1.00 0.00 C ATOM 106 O ASP A 15 14.404 -3.854 -0.563 1.00 0.00 O ATOM 107 CB ASP A 15 14.146 -2.963 1.970 1.00 0.00 C ATOM 108 CG ASP A 15 15.618 -3.382 1.964 1.00 0.00 C ATOM 109 OD1 ASP A 15 16.189 -3.453 0.889 1.00 0.00 O ATOM 110 OD2 ASP A 15 16.148 -3.625 3.035 1.00 0.00 O ATOM 0 H ASP A 15 11.795 -2.253 1.073 1.00 0.00 H new ATOM 0 HA ASP A 15 14.558 -1.123 0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.892 -2.503 2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.507 -3.839 1.858 1.00 0.00 H new ATOM 115 N TYR A 16 14.072 -1.915 -1.585 1.00 0.00 N ATOM 116 CA TYR A 16 14.307 -2.460 -2.965 1.00 0.00 C ATOM 117 C TYR A 16 15.091 -3.778 -2.916 1.00 0.00 C ATOM 118 O TYR A 16 16.063 -3.912 -2.202 1.00 0.00 O ATOM 119 CB TYR A 16 15.094 -1.408 -3.767 1.00 0.00 C ATOM 120 CG TYR A 16 15.928 -2.065 -4.875 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.332 -2.862 -5.829 1.00 0.00 C ATOM 122 CD2 TYR A 16 17.292 -1.854 -4.938 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.086 -3.437 -6.832 1.00 0.00 C ATOM 124 CE2 TYR A 16 18.047 -2.430 -5.940 1.00 0.00 C ATOM 125 CZ TYR A 16 17.449 -3.225 -6.895 1.00 0.00 C ATOM 126 OH TYR A 16 18.201 -3.797 -7.902 1.00 0.00 O ATOM 0 H TYR A 16 13.846 -0.921 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 16 13.348 -2.667 -3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.402 -0.689 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.749 -0.851 -3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.267 -3.038 -5.791 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.772 -1.233 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.606 -4.058 -7.574 1.00 0.00 H new ATOM 0 HE2 TYR A 16 19.112 -2.257 -5.976 1.00 0.00 H new ATOM 0 HH TYR A 16 18.536 -3.096 -8.499 1.00 0.00 H new ATOM 136 N GLU A 17 14.664 -4.751 -3.676 1.00 0.00 N ATOM 137 CA GLU A 17 15.369 -6.063 -3.688 1.00 0.00 C ATOM 138 C GLU A 17 15.797 -6.387 -5.121 1.00 0.00 C ATOM 139 O GLU A 17 14.976 -6.649 -5.979 1.00 0.00 O ATOM 140 CB GLU A 17 14.423 -7.153 -3.179 1.00 0.00 C ATOM 141 CG GLU A 17 14.935 -7.696 -1.844 1.00 0.00 C ATOM 142 CD GLU A 17 14.546 -9.170 -1.712 1.00 0.00 C ATOM 143 OE1 GLU A 17 14.692 -9.890 -2.686 1.00 0.00 O ATOM 144 OE2 GLU A 17 14.105 -9.553 -0.641 1.00 0.00 O ATOM 0 H GLU A 17 13.853 -4.692 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 17 16.247 -6.016 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.418 -6.748 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.355 -7.960 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.018 -7.588 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.513 -7.122 -1.019 1.00 0.00 H new ATOM 151 N SER A 18 17.073 -6.374 -5.390 1.00 0.00 N ATOM 152 CA SER A 18 17.546 -6.682 -6.770 1.00 0.00 C ATOM 153 C SER A 18 17.615 -8.198 -6.962 1.00 0.00 C ATOM 154 O SER A 18 17.841 -8.943 -6.029 1.00 0.00 O ATOM 155 CB SER A 18 18.937 -6.078 -6.979 1.00 0.00 C ATOM 156 OG SER A 18 19.163 -5.884 -8.368 1.00 0.00 O ATOM 0 H SER A 18 17.808 -6.164 -4.715 1.00 0.00 H new ATOM 0 HA SER A 18 16.851 -6.256 -7.494 1.00 0.00 H new ATOM 0 HB2 SER A 18 19.016 -5.128 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.698 -6.738 -6.564 1.00 0.00 H new ATOM 0 HG SER A 18 18.971 -4.952 -8.604 1.00 0.00 H new ATOM 162 N ARG A 19 17.423 -8.661 -8.166 1.00 0.00 N ATOM 163 CA ARG A 19 17.478 -10.131 -8.417 1.00 0.00 C ATOM 164 C ARG A 19 18.927 -10.533 -8.692 1.00 0.00 C ATOM 165 O ARG A 19 19.320 -11.664 -8.483 1.00 0.00 O ATOM 166 CB ARG A 19 16.612 -10.505 -9.629 1.00 0.00 C ATOM 167 CG ARG A 19 15.650 -9.364 -9.978 1.00 0.00 C ATOM 168 CD ARG A 19 16.288 -8.471 -11.044 1.00 0.00 C ATOM 169 NE ARG A 19 15.512 -7.205 -11.164 1.00 0.00 N ATOM 170 CZ ARG A 19 15.951 -6.241 -11.926 1.00 0.00 C ATOM 171 NH1 ARG A 19 15.679 -6.241 -13.202 1.00 0.00 N ATOM 172 NH2 ARG A 19 16.665 -5.276 -11.413 1.00 0.00 N ATOM 0 H ARG A 19 17.231 -8.087 -8.987 1.00 0.00 H new ATOM 0 HA ARG A 19 17.098 -10.655 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.250 -10.724 -10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.046 -11.411 -9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.706 -9.768 -10.344 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.423 -8.780 -9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.322 -8.252 -10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.308 -8.989 -12.003 1.00 0.00 H new ATOM 0 HE ARG A 19 14.638 -7.092 -10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.123 -6.995 -13.605 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.023 -5.487 -13.797 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.880 -5.275 -10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.008 -4.523 -12.009 1.00 0.00 H new ATOM 186 N THR A 20 19.723 -9.613 -9.162 1.00 0.00 N ATOM 187 CA THR A 20 21.147 -9.935 -9.453 1.00 0.00 C ATOM 188 C THR A 20 21.995 -9.645 -8.214 1.00 0.00 C ATOM 189 O THR A 20 21.568 -8.964 -7.303 1.00 0.00 O ATOM 190 CB THR A 20 21.639 -9.072 -10.617 1.00 0.00 C ATOM 191 OG1 THR A 20 20.600 -8.936 -11.576 1.00 0.00 O ATOM 192 CG2 THR A 20 22.856 -9.733 -11.265 1.00 0.00 C ATOM 0 H THR A 20 19.448 -8.650 -9.357 1.00 0.00 H new ATOM 0 HA THR A 20 21.234 -10.988 -9.719 1.00 0.00 H new ATOM 0 HB THR A 20 21.920 -8.086 -10.247 1.00 0.00 H new ATOM 0 HG1 THR A 20 20.913 -8.382 -12.321 1.00 0.00 H new ATOM 0 HG21 THR A 20 23.206 -9.118 -12.094 1.00 0.00 H new ATOM 0 HG22 THR A 20 23.652 -9.834 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 20 22.579 -10.720 -11.637 1.00 0.00 H new ATOM 200 N GLU A 21 23.193 -10.156 -8.172 1.00 0.00 N ATOM 201 CA GLU A 21 24.064 -9.909 -6.993 1.00 0.00 C ATOM 202 C GLU A 21 24.546 -8.456 -7.016 1.00 0.00 C ATOM 203 O GLU A 21 25.132 -7.971 -6.067 1.00 0.00 O ATOM 204 CB GLU A 21 25.265 -10.853 -7.048 1.00 0.00 C ATOM 205 CG GLU A 21 24.856 -12.228 -6.513 1.00 0.00 C ATOM 206 CD GLU A 21 25.971 -12.781 -5.623 1.00 0.00 C ATOM 207 OE1 GLU A 21 25.938 -12.513 -4.432 1.00 0.00 O ATOM 208 OE2 GLU A 21 26.836 -13.464 -6.144 1.00 0.00 O ATOM 0 H GLU A 21 23.606 -10.734 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 21 23.504 -10.089 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 21 25.625 -10.942 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 21 26.086 -10.450 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.929 -12.148 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.665 -12.910 -7.341 1.00 0.00 H new ATOM 215 N THR A 22 24.307 -7.757 -8.094 1.00 0.00 N ATOM 216 CA THR A 22 24.750 -6.337 -8.177 1.00 0.00 C ATOM 217 C THR A 22 23.637 -5.424 -7.655 1.00 0.00 C ATOM 218 O THR A 22 22.778 -5.846 -6.909 1.00 0.00 O ATOM 219 CB THR A 22 25.062 -5.982 -9.633 1.00 0.00 C ATOM 220 OG1 THR A 22 23.853 -5.686 -10.318 1.00 0.00 O ATOM 221 CG2 THR A 22 25.760 -7.162 -10.309 1.00 0.00 C ATOM 0 H THR A 22 23.824 -8.109 -8.920 1.00 0.00 H new ATOM 0 HA THR A 22 25.646 -6.200 -7.571 1.00 0.00 H new ATOM 0 HB THR A 22 25.717 -5.111 -9.662 1.00 0.00 H new ATOM 0 HG1 THR A 22 24.053 -5.457 -11.250 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.982 -6.908 -11.346 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.688 -7.385 -9.783 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.108 -8.035 -10.281 1.00 0.00 H new ATOM 229 N ASP A 23 23.646 -4.178 -8.047 1.00 0.00 N ATOM 230 CA ASP A 23 22.590 -3.234 -7.576 1.00 0.00 C ATOM 231 C ASP A 23 22.350 -3.442 -6.079 1.00 0.00 C ATOM 232 O ASP A 23 21.585 -4.293 -5.673 1.00 0.00 O ATOM 233 CB ASP A 23 21.289 -3.493 -8.340 1.00 0.00 C ATOM 234 CG ASP A 23 21.613 -3.979 -9.754 1.00 0.00 C ATOM 235 OD1 ASP A 23 22.408 -3.332 -10.415 1.00 0.00 O ATOM 236 OD2 ASP A 23 21.060 -4.991 -10.153 1.00 0.00 O ATOM 0 H ASP A 23 24.340 -3.772 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 23 22.917 -2.210 -7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.690 -4.238 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.694 -2.581 -8.385 1.00 0.00 H new ATOM 241 N LEU A 24 22.992 -2.661 -5.257 1.00 0.00 N ATOM 242 CA LEU A 24 22.803 -2.811 -3.788 1.00 0.00 C ATOM 243 C LEU A 24 21.327 -2.632 -3.439 1.00 0.00 C ATOM 244 O LEU A 24 20.501 -2.375 -4.292 1.00 0.00 O ATOM 245 CB LEU A 24 23.632 -1.755 -3.058 1.00 0.00 C ATOM 246 CG LEU A 24 25.076 -2.242 -2.929 1.00 0.00 C ATOM 247 CD1 LEU A 24 25.590 -2.685 -4.300 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.948 -1.104 -2.399 1.00 0.00 C ATOM 0 H LEU A 24 23.640 -1.925 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 24 23.128 -3.805 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 24 23.602 -0.812 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 24 23.211 -1.565 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 24 25.117 -3.084 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.619 -3.032 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.966 -3.495 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.551 -1.844 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.978 -1.448 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 24 25.908 -0.262 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 24 25.581 -0.789 -1.422 1.00 0.00 H new ATOM 260 N SER A 25 20.989 -2.764 -2.186 1.00 0.00 N ATOM 261 CA SER A 25 19.570 -2.603 -1.777 1.00 0.00 C ATOM 262 C SER A 25 19.481 -1.566 -0.657 1.00 0.00 C ATOM 263 O SER A 25 20.151 -1.672 0.352 1.00 0.00 O ATOM 264 CB SER A 25 19.036 -3.944 -1.273 1.00 0.00 C ATOM 265 OG SER A 25 18.292 -4.575 -2.305 1.00 0.00 O ATOM 0 H SER A 25 21.637 -2.977 -1.428 1.00 0.00 H new ATOM 0 HA SER A 25 18.977 -2.270 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.863 -4.583 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.406 -3.791 -0.397 1.00 0.00 H new ATOM 0 HG SER A 25 17.457 -4.084 -2.453 1.00 0.00 H new ATOM 271 N PHE A 26 18.661 -0.564 -0.820 1.00 0.00 N ATOM 272 CA PHE A 26 18.539 0.473 0.242 1.00 0.00 C ATOM 273 C PHE A 26 17.452 0.060 1.236 1.00 0.00 C ATOM 274 O PHE A 26 16.858 -0.994 1.119 1.00 0.00 O ATOM 275 CB PHE A 26 18.177 1.820 -0.388 1.00 0.00 C ATOM 276 CG PHE A 26 17.059 1.633 -1.417 1.00 0.00 C ATOM 277 CD1 PHE A 26 15.736 1.611 -1.017 1.00 0.00 C ATOM 278 CD2 PHE A 26 17.358 1.506 -2.762 1.00 0.00 C ATOM 279 CE1 PHE A 26 14.726 1.468 -1.949 1.00 0.00 C ATOM 280 CE2 PHE A 26 16.349 1.362 -3.692 1.00 0.00 C ATOM 281 CZ PHE A 26 15.034 1.343 -3.285 1.00 0.00 C ATOM 0 H PHE A 26 18.072 -0.419 -1.640 1.00 0.00 H new ATOM 0 HA PHE A 26 19.491 0.568 0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.858 2.518 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 26 19.054 2.254 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.490 1.706 0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 26 18.388 1.520 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.694 1.454 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.591 1.264 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.245 1.230 -4.013 1.00 0.00 H new ATOM 291 N LYS A 27 17.187 0.882 2.213 1.00 0.00 N ATOM 292 CA LYS A 27 16.140 0.533 3.213 1.00 0.00 C ATOM 293 C LYS A 27 15.132 1.679 3.321 1.00 0.00 C ATOM 294 O LYS A 27 15.463 2.832 3.126 1.00 0.00 O ATOM 295 CB LYS A 27 16.796 0.302 4.576 1.00 0.00 C ATOM 296 CG LYS A 27 15.777 -0.316 5.537 1.00 0.00 C ATOM 297 CD LYS A 27 16.362 -0.345 6.950 1.00 0.00 C ATOM 298 CE LYS A 27 17.772 -0.939 6.904 1.00 0.00 C ATOM 299 NZ LYS A 27 18.399 -0.836 8.253 1.00 0.00 N ATOM 0 H LYS A 27 17.649 1.779 2.362 1.00 0.00 H new ATOM 0 HA LYS A 27 15.625 -0.374 2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.657 -0.358 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.165 1.246 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.853 0.263 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.524 -1.326 5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.393 0.663 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.726 -0.939 7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.729 -1.982 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.377 -0.409 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.357 -1.239 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.453 0.163 8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.825 -1.360 8.944 1.00 0.00 H new ATOM 313 N LYS A 28 13.902 1.370 3.629 1.00 0.00 N ATOM 314 CA LYS A 28 12.871 2.439 3.749 1.00 0.00 C ATOM 315 C LYS A 28 13.275 3.410 4.862 1.00 0.00 C ATOM 316 O LYS A 28 13.817 3.016 5.875 1.00 0.00 O ATOM 317 CB LYS A 28 11.519 1.804 4.086 1.00 0.00 C ATOM 318 CG LYS A 28 10.540 2.888 4.543 1.00 0.00 C ATOM 319 CD LYS A 28 9.167 2.262 4.797 1.00 0.00 C ATOM 320 CE LYS A 28 9.328 1.008 5.658 1.00 0.00 C ATOM 321 NZ LYS A 28 8.014 0.644 6.257 1.00 0.00 N ATOM 0 H LYS A 28 13.567 0.423 3.803 1.00 0.00 H new ATOM 0 HA LYS A 28 12.792 2.981 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.122 1.286 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.642 1.057 4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.908 3.365 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.462 3.666 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.516 2.979 5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.691 2.007 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.704 0.184 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.061 1.186 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.124 -0.209 6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.673 1.429 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.327 0.458 5.499 1.00 0.00 H new ATOM 335 N GLY A 29 13.014 4.676 4.682 1.00 0.00 N ATOM 336 CA GLY A 29 13.383 5.669 5.731 1.00 0.00 C ATOM 337 C GLY A 29 14.716 6.326 5.368 1.00 0.00 C ATOM 338 O GLY A 29 15.001 7.437 5.768 1.00 0.00 O ATOM 0 H GLY A 29 12.562 5.066 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.604 6.427 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.460 5.177 6.701 1.00 0.00 H new ATOM 342 N GLU A 30 15.537 5.649 4.612 1.00 0.00 N ATOM 343 CA GLU A 30 16.851 6.237 4.225 1.00 0.00 C ATOM 344 C GLU A 30 16.695 7.020 2.920 1.00 0.00 C ATOM 345 O GLU A 30 16.111 6.546 1.966 1.00 0.00 O ATOM 346 CB GLU A 30 17.873 5.117 4.025 1.00 0.00 C ATOM 347 CG GLU A 30 18.868 5.119 5.189 1.00 0.00 C ATOM 348 CD GLU A 30 20.295 5.181 4.639 1.00 0.00 C ATOM 349 OE1 GLU A 30 20.500 5.876 3.658 1.00 0.00 O ATOM 350 OE2 GLU A 30 21.156 4.531 5.208 1.00 0.00 O ATOM 0 H GLU A 30 15.355 4.715 4.246 1.00 0.00 H new ATOM 0 HA GLU A 30 17.194 6.907 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.366 4.154 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.401 5.256 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.680 5.972 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.738 4.222 5.794 1.00 0.00 H new ATOM 357 N ARG A 31 17.213 8.217 2.869 1.00 0.00 N ATOM 358 CA ARG A 31 17.093 9.028 1.625 1.00 0.00 C ATOM 359 C ARG A 31 18.045 8.477 0.563 1.00 0.00 C ATOM 360 O ARG A 31 19.130 8.022 0.864 1.00 0.00 O ATOM 361 CB ARG A 31 17.455 10.485 1.926 1.00 0.00 C ATOM 362 CG ARG A 31 16.211 11.360 1.768 1.00 0.00 C ATOM 363 CD ARG A 31 15.697 11.772 3.148 1.00 0.00 C ATOM 364 NE ARG A 31 15.376 13.226 3.145 1.00 0.00 N ATOM 365 CZ ARG A 31 14.272 13.649 2.594 1.00 0.00 C ATOM 366 NH1 ARG A 31 14.190 13.759 1.296 1.00 0.00 N ATOM 367 NH2 ARG A 31 13.248 13.962 3.340 1.00 0.00 N ATOM 0 H ARG A 31 17.714 8.668 3.635 1.00 0.00 H new ATOM 0 HA ARG A 31 16.068 8.977 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.848 10.572 2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.240 10.824 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.449 12.245 1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.437 10.815 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 31 14.810 11.193 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.449 11.556 3.907 1.00 0.00 H new ATOM 0 HE ARG A 31 16.019 13.891 3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.990 13.514 0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.326 14.090 0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.311 13.876 4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.385 14.293 2.909 1.00 0.00 H new ATOM 381 N LEU A 32 17.648 8.514 -0.681 1.00 0.00 N ATOM 382 CA LEU A 32 18.532 7.992 -1.760 1.00 0.00 C ATOM 383 C LEU A 32 18.822 9.105 -2.765 1.00 0.00 C ATOM 384 O LEU A 32 17.954 9.532 -3.499 1.00 0.00 O ATOM 385 CB LEU A 32 17.840 6.835 -2.483 1.00 0.00 C ATOM 386 CG LEU A 32 17.085 5.967 -1.473 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.023 5.149 -2.208 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.066 5.022 -0.778 1.00 0.00 C ATOM 0 H LEU A 32 16.750 8.883 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 32 19.464 7.640 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.148 7.223 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.578 6.233 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 32 16.607 6.603 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.482 4.529 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.325 5.822 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.504 4.512 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.528 4.404 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.543 4.383 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.827 5.605 -0.258 1.00 0.00 H new ATOM 400 N GLN A 33 20.034 9.578 -2.806 1.00 0.00 N ATOM 401 CA GLN A 33 20.374 10.663 -3.768 1.00 0.00 C ATOM 402 C GLN A 33 20.147 10.151 -5.191 1.00 0.00 C ATOM 403 O GLN A 33 20.967 9.447 -5.745 1.00 0.00 O ATOM 404 CB GLN A 33 21.840 11.064 -3.595 1.00 0.00 C ATOM 405 CG GLN A 33 22.251 11.995 -4.737 1.00 0.00 C ATOM 406 CD GLN A 33 23.184 13.082 -4.198 1.00 0.00 C ATOM 407 OE1 GLN A 33 24.034 12.814 -3.373 1.00 0.00 O ATOM 408 NE2 GLN A 33 23.060 14.306 -4.633 1.00 0.00 N ATOM 0 H GLN A 33 20.804 9.262 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 33 19.743 11.532 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.981 11.563 -2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.473 10.177 -3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.752 11.427 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.368 12.449 -5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.346 14.531 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.677 15.038 -4.280 1.00 0.00 H new ATOM 417 N ILE A 34 19.038 10.496 -5.786 1.00 0.00 N ATOM 418 CA ILE A 34 18.760 10.028 -7.173 1.00 0.00 C ATOM 419 C ILE A 34 19.838 10.556 -8.121 1.00 0.00 C ATOM 420 O ILE A 34 20.011 11.747 -8.283 1.00 0.00 O ATOM 421 CB ILE A 34 17.389 10.540 -7.622 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.289 9.778 -6.878 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.229 10.318 -9.128 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.540 8.274 -6.994 1.00 0.00 C ATOM 0 H ILE A 34 18.313 11.081 -5.372 1.00 0.00 H new ATOM 0 HA ILE A 34 18.765 8.938 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 34 17.310 11.604 -7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.272 10.075 -5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.313 10.028 -7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.253 10.683 -9.448 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.011 10.859 -9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.309 9.254 -9.349 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.756 7.732 -6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.534 7.984 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.508 8.032 -6.556 1.00 0.00 H new ATOM 436 N VAL A 35 20.562 9.671 -8.747 1.00 0.00 N ATOM 437 CA VAL A 35 21.631 10.106 -9.687 1.00 0.00 C ATOM 438 C VAL A 35 21.009 10.440 -11.043 1.00 0.00 C ATOM 439 O VAL A 35 20.763 11.588 -11.361 1.00 0.00 O ATOM 440 CB VAL A 35 22.647 8.974 -9.859 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.696 9.384 -10.895 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.334 8.698 -8.521 1.00 0.00 C ATOM 0 H VAL A 35 20.459 8.661 -8.647 1.00 0.00 H new ATOM 0 HA VAL A 35 22.131 10.988 -9.288 1.00 0.00 H new ATOM 0 HB VAL A 35 22.134 8.074 -10.197 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.420 8.579 -11.018 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.207 9.582 -11.849 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.209 10.284 -10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.058 7.892 -8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.847 9.598 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.588 8.407 -7.782 1.00 0.00 H new ATOM 452 N ASN A 36 20.751 9.444 -11.843 1.00 0.00 N ATOM 453 CA ASN A 36 20.145 9.694 -13.179 1.00 0.00 C ATOM 454 C ASN A 36 18.862 8.872 -13.322 1.00 0.00 C ATOM 455 O ASN A 36 18.892 7.658 -13.349 1.00 0.00 O ATOM 456 CB ASN A 36 21.132 9.285 -14.277 1.00 0.00 C ATOM 457 CG ASN A 36 22.116 8.241 -13.741 1.00 0.00 C ATOM 458 OD1 ASN A 36 21.718 7.286 -13.102 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.391 8.384 -13.974 1.00 0.00 N ATOM 0 H ASN A 36 20.935 8.464 -11.628 1.00 0.00 H new ATOM 0 HA ASN A 36 19.912 10.755 -13.275 1.00 0.00 H new ATOM 0 HB2 ASN A 36 20.590 8.880 -15.131 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.676 10.160 -14.631 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.055 7.695 -13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 36 23.725 9.185 -14.510 1.00 0.00 H new ATOM 466 N ASN A 37 17.735 9.524 -13.415 1.00 0.00 N ATOM 467 CA ASN A 37 16.452 8.778 -13.555 1.00 0.00 C ATOM 468 C ASN A 37 15.753 9.203 -14.848 1.00 0.00 C ATOM 469 O ASN A 37 15.193 10.278 -14.935 1.00 0.00 O ATOM 470 CB ASN A 37 15.547 9.093 -12.364 1.00 0.00 C ATOM 471 CG ASN A 37 15.289 10.600 -12.304 1.00 0.00 C ATOM 472 OD1 ASN A 37 16.250 11.401 -11.934 1.00 0.00 O flip ATOM 473 ND2 ASN A 37 14.200 11.052 -12.598 1.00 0.00 N flip ATOM 0 H ASN A 37 17.647 10.540 -13.400 1.00 0.00 H new ATOM 0 HA ASN A 37 16.657 7.708 -13.585 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.604 8.555 -12.458 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.015 8.756 -11.439 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.449 10.425 -12.887 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.037 12.058 -12.556 1.00 0.00 H new ATOM 480 N THR A 38 15.782 8.374 -15.857 1.00 0.00 N ATOM 481 CA THR A 38 15.114 8.744 -17.135 1.00 0.00 C ATOM 482 C THR A 38 13.661 8.245 -17.117 1.00 0.00 C ATOM 483 O THR A 38 12.820 8.805 -16.441 1.00 0.00 O ATOM 484 CB THR A 38 15.888 8.137 -18.312 1.00 0.00 C ATOM 485 OG1 THR A 38 15.074 8.148 -19.476 1.00 0.00 O ATOM 486 CG2 THR A 38 16.301 6.701 -17.979 1.00 0.00 C ATOM 0 H THR A 38 16.237 7.461 -15.851 1.00 0.00 H new ATOM 0 HA THR A 38 15.106 9.828 -17.250 1.00 0.00 H new ATOM 0 HB THR A 38 16.784 8.730 -18.495 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.571 7.761 -20.227 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.850 6.276 -18.819 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.936 6.701 -17.093 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.411 6.102 -17.787 1.00 0.00 H new ATOM 494 N GLU A 39 13.347 7.206 -17.847 1.00 0.00 N ATOM 495 CA GLU A 39 11.948 6.698 -17.852 1.00 0.00 C ATOM 496 C GLU A 39 11.794 5.648 -16.751 1.00 0.00 C ATOM 497 O GLU A 39 12.754 5.029 -16.342 1.00 0.00 O ATOM 498 CB GLU A 39 11.643 6.062 -19.209 1.00 0.00 C ATOM 499 CG GLU A 39 11.094 7.126 -20.161 1.00 0.00 C ATOM 500 CD GLU A 39 10.985 6.540 -21.571 1.00 0.00 C ATOM 501 OE1 GLU A 39 10.317 5.531 -21.721 1.00 0.00 O ATOM 502 OE2 GLU A 39 11.573 7.110 -22.474 1.00 0.00 O ATOM 0 H GLU A 39 13.999 6.690 -18.438 1.00 0.00 H new ATOM 0 HA GLU A 39 11.256 7.521 -17.675 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.547 5.618 -19.626 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.918 5.257 -19.090 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.116 7.465 -19.820 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.749 7.997 -20.167 1.00 0.00 H new ATOM 509 N GLY A 40 10.597 5.442 -16.269 1.00 0.00 N ATOM 510 CA GLY A 40 10.392 4.427 -15.194 1.00 0.00 C ATOM 511 C GLY A 40 11.202 3.173 -15.524 1.00 0.00 C ATOM 512 O GLY A 40 10.761 2.311 -16.258 1.00 0.00 O ATOM 0 H GLY A 40 9.755 5.931 -16.572 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.703 4.832 -14.231 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.334 4.179 -15.109 1.00 0.00 H new ATOM 516 N ASP A 41 12.386 3.064 -14.985 1.00 0.00 N ATOM 517 CA ASP A 41 13.226 1.870 -15.266 1.00 0.00 C ATOM 518 C ASP A 41 14.037 1.512 -14.015 1.00 0.00 C ATOM 519 O ASP A 41 13.494 1.096 -13.010 1.00 0.00 O ATOM 520 CB ASP A 41 14.172 2.196 -16.424 1.00 0.00 C ATOM 521 CG ASP A 41 13.358 2.596 -17.656 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.564 1.786 -18.105 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.543 3.706 -18.128 1.00 0.00 O ATOM 0 H ASP A 41 12.807 3.753 -14.361 1.00 0.00 H new ATOM 0 HA ASP A 41 12.596 1.022 -15.535 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.844 3.006 -16.141 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.795 1.331 -16.652 1.00 0.00 H new ATOM 528 N TRP A 42 15.334 1.669 -14.066 1.00 0.00 N ATOM 529 CA TRP A 42 16.178 1.342 -12.892 1.00 0.00 C ATOM 530 C TRP A 42 17.241 2.425 -12.762 1.00 0.00 C ATOM 531 O TRP A 42 18.349 2.291 -13.242 1.00 0.00 O ATOM 532 CB TRP A 42 16.833 -0.022 -13.098 1.00 0.00 C ATOM 533 CG TRP A 42 15.734 -1.078 -13.224 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.912 -1.210 -14.277 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.423 -1.970 -12.289 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.105 -2.211 -13.922 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.352 -2.743 -12.697 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.001 -2.190 -11.055 1.00 0.00 C ATOM 539 CZ2 TRP A 42 13.862 -3.732 -11.869 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.510 -3.179 -10.229 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.441 -3.950 -10.635 1.00 0.00 C ATOM 0 H TRP A 42 15.843 2.013 -14.880 1.00 0.00 H new ATOM 0 HA TRP A 42 15.576 1.301 -11.984 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.453 -0.012 -13.995 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.489 -0.257 -12.260 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.906 -0.640 -15.195 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.357 -2.552 -14.526 1.00 0.00 H new ATOM 0 HE3 TRP A 42 16.838 -1.587 -10.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.025 -4.336 -12.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 15.963 -3.350 -9.264 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.057 -4.724 -9.987 1.00 0.00 H new ATOM 552 N TRP A 43 16.905 3.503 -12.117 1.00 0.00 N ATOM 553 CA TRP A 43 17.880 4.608 -11.947 1.00 0.00 C ATOM 554 C TRP A 43 18.862 4.267 -10.827 1.00 0.00 C ATOM 555 O TRP A 43 18.553 3.515 -9.924 1.00 0.00 O ATOM 556 CB TRP A 43 17.120 5.885 -11.590 1.00 0.00 C ATOM 557 CG TRP A 43 15.770 5.907 -12.321 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.572 5.538 -13.605 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.626 6.347 -11.796 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.278 5.791 -13.805 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.614 6.293 -12.735 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.356 6.810 -10.522 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.339 6.701 -12.402 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.080 7.218 -10.191 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.072 7.164 -11.130 1.00 0.00 C ATOM 0 H TRP A 43 15.990 3.666 -11.698 1.00 0.00 H new ATOM 0 HA TRP A 43 18.436 4.752 -12.873 1.00 0.00 H new ATOM 0 HB2 TRP A 43 16.962 5.936 -10.513 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.709 6.759 -11.867 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.290 5.134 -14.303 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.820 5.619 -14.700 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.144 6.852 -9.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.549 6.658 -13.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.871 7.580 -9.195 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.074 7.484 -10.870 1.00 0.00 H new ATOM 576 N LEU A 44 20.044 4.816 -10.880 1.00 0.00 N ATOM 577 CA LEU A 44 21.050 4.525 -9.822 1.00 0.00 C ATOM 578 C LEU A 44 20.900 5.545 -8.697 1.00 0.00 C ATOM 579 O LEU A 44 20.513 6.673 -8.920 1.00 0.00 O ATOM 580 CB LEU A 44 22.456 4.627 -10.416 1.00 0.00 C ATOM 581 CG LEU A 44 23.484 4.166 -9.380 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.118 2.851 -9.837 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.571 5.231 -9.232 1.00 0.00 C ATOM 0 H LEU A 44 20.356 5.454 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 44 20.893 3.520 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.528 4.013 -11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.662 5.655 -10.716 1.00 0.00 H new ATOM 0 HG LEU A 44 22.989 4.015 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 44 24.850 2.524 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 44 23.344 2.091 -9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 44 24.613 3.000 -10.797 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.303 4.903 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.065 5.382 -10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 44 24.120 6.168 -8.904 1.00 0.00 H new ATOM 595 N ALA A 45 21.198 5.162 -7.487 1.00 0.00 N ATOM 596 CA ALA A 45 21.066 6.121 -6.357 1.00 0.00 C ATOM 597 C ALA A 45 22.190 5.882 -5.349 1.00 0.00 C ATOM 598 O ALA A 45 22.782 4.821 -5.300 1.00 0.00 O ATOM 599 CB ALA A 45 19.715 5.919 -5.669 1.00 0.00 C ATOM 0 H ALA A 45 21.526 4.230 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 45 21.131 7.140 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.619 6.622 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.912 6.091 -6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.649 4.900 -5.289 1.00 0.00 H new ATOM 605 N HIS A 46 22.488 6.864 -4.543 1.00 0.00 N ATOM 606 CA HIS A 46 23.571 6.707 -3.533 1.00 0.00 C ATOM 607 C HIS A 46 22.999 6.997 -2.140 1.00 0.00 C ATOM 608 O HIS A 46 21.902 7.502 -2.004 1.00 0.00 O ATOM 609 CB HIS A 46 24.711 7.685 -3.872 1.00 0.00 C ATOM 610 CG HIS A 46 25.424 8.161 -2.599 1.00 0.00 C ATOM 611 ND1 HIS A 46 26.389 7.564 -2.035 1.00 0.00 N ATOM 612 CD2 HIS A 46 25.199 9.286 -1.826 1.00 0.00 C ATOM 613 CE1 HIS A 46 26.774 8.209 -0.998 1.00 0.00 C ATOM 614 NE2 HIS A 46 26.067 9.310 -0.803 1.00 0.00 N ATOM 0 H HIS A 46 22.025 7.773 -4.541 1.00 0.00 H new ATOM 0 HA HIS A 46 23.964 5.691 -3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.427 7.199 -4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.310 8.543 -4.411 1.00 0.00 H new ATOM 0 HD1 HIS A 46 26.802 6.690 -2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 46 24.441 10.031 -2.017 1.00 0.00 H new ATOM 0 HE1 HIS A 46 27.583 7.891 -0.357 1.00 0.00 H new ATOM 622 N SER A 47 23.729 6.680 -1.108 1.00 0.00 N ATOM 623 CA SER A 47 23.222 6.939 0.269 1.00 0.00 C ATOM 624 C SER A 47 24.093 8.003 0.939 1.00 0.00 C ATOM 625 O SER A 47 25.288 7.841 1.083 1.00 0.00 O ATOM 626 CB SER A 47 23.272 5.646 1.084 1.00 0.00 C ATOM 627 OG SER A 47 23.059 4.537 0.223 1.00 0.00 O ATOM 0 H SER A 47 24.654 6.253 -1.158 1.00 0.00 H new ATOM 0 HA SER A 47 22.192 7.293 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.237 5.554 1.582 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.512 5.666 1.865 1.00 0.00 H new ATOM 0 HG SER A 47 22.489 3.879 0.672 1.00 0.00 H new ATOM 633 N LEU A 48 23.502 9.090 1.354 1.00 0.00 N ATOM 634 CA LEU A 48 24.295 10.164 2.014 1.00 0.00 C ATOM 635 C LEU A 48 24.832 9.655 3.354 1.00 0.00 C ATOM 636 O LEU A 48 26.026 9.557 3.557 1.00 0.00 O ATOM 637 CB LEU A 48 23.401 11.383 2.248 1.00 0.00 C ATOM 638 CG LEU A 48 22.804 11.840 0.916 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.714 12.882 1.174 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.903 12.453 0.047 1.00 0.00 C ATOM 0 H LEU A 48 22.504 9.280 1.264 1.00 0.00 H new ATOM 0 HA LEU A 48 25.132 10.445 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.605 11.134 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.979 12.191 2.696 1.00 0.00 H new ATOM 0 HG LEU A 48 22.370 10.983 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.289 13.207 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.930 12.443 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.145 13.739 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.477 12.779 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.339 13.309 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.677 11.709 -0.139 1.00 0.00 H new ATOM 652 N THR A 49 23.960 9.330 4.270 1.00 0.00 N ATOM 653 CA THR A 49 24.424 8.829 5.594 1.00 0.00 C ATOM 654 C THR A 49 25.552 7.816 5.389 1.00 0.00 C ATOM 655 O THR A 49 26.703 8.089 5.668 1.00 0.00 O ATOM 656 CB THR A 49 23.257 8.154 6.321 1.00 0.00 C ATOM 657 OG1 THR A 49 22.030 8.666 5.822 1.00 0.00 O ATOM 658 CG2 THR A 49 23.356 8.436 7.822 1.00 0.00 C ATOM 0 H THR A 49 22.948 9.390 4.158 1.00 0.00 H new ATOM 0 HA THR A 49 24.790 9.664 6.191 1.00 0.00 H new ATOM 0 HB THR A 49 23.298 7.078 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 49 21.283 8.234 6.285 1.00 0.00 H new ATOM 0 HG21 THR A 49 22.525 7.955 8.338 1.00 0.00 H new ATOM 0 HG22 THR A 49 24.298 8.042 8.205 1.00 0.00 H new ATOM 0 HG23 THR A 49 23.316 9.512 7.994 1.00 0.00 H new ATOM 666 N THR A 50 25.233 6.648 4.901 1.00 0.00 N ATOM 667 CA THR A 50 26.287 5.618 4.677 1.00 0.00 C ATOM 668 C THR A 50 26.991 5.893 3.346 1.00 0.00 C ATOM 669 O THR A 50 27.964 6.619 3.285 1.00 0.00 O ATOM 670 CB THR A 50 25.645 4.229 4.635 1.00 0.00 C ATOM 671 OG1 THR A 50 24.281 4.351 4.259 1.00 0.00 O ATOM 672 CG2 THR A 50 25.739 3.576 6.016 1.00 0.00 C ATOM 0 H THR A 50 24.287 6.362 4.648 1.00 0.00 H new ATOM 0 HA THR A 50 27.012 5.658 5.490 1.00 0.00 H new ATOM 0 HB THR A 50 26.170 3.609 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 50 23.869 3.462 4.230 1.00 0.00 H new ATOM 0 HG21 THR A 50 25.281 2.587 5.983 1.00 0.00 H new ATOM 0 HG22 THR A 50 26.786 3.481 6.303 1.00 0.00 H new ATOM 0 HG23 THR A 50 25.217 4.193 6.747 1.00 0.00 H new ATOM 680 N GLY A 51 26.506 5.319 2.281 1.00 0.00 N ATOM 681 CA GLY A 51 27.144 5.545 0.953 1.00 0.00 C ATOM 682 C GLY A 51 26.978 4.293 0.090 1.00 0.00 C ATOM 683 O GLY A 51 27.902 3.848 -0.561 1.00 0.00 O ATOM 0 H GLY A 51 25.694 4.702 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 51 26.688 6.403 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 51 28.202 5.775 1.080 1.00 0.00 H new ATOM 687 N GLN A 52 25.805 3.721 0.083 1.00 0.00 N ATOM 688 CA GLN A 52 25.577 2.497 -0.737 1.00 0.00 C ATOM 689 C GLN A 52 25.098 2.892 -2.135 1.00 0.00 C ATOM 690 O GLN A 52 24.190 3.685 -2.291 1.00 0.00 O ATOM 691 CB GLN A 52 24.512 1.627 -0.066 1.00 0.00 C ATOM 692 CG GLN A 52 24.883 1.406 1.402 1.00 0.00 C ATOM 693 CD GLN A 52 23.929 0.381 2.018 1.00 0.00 C ATOM 694 OE1 GLN A 52 24.214 -0.800 2.030 1.00 0.00 O ATOM 695 NE2 GLN A 52 22.801 0.785 2.534 1.00 0.00 N ATOM 0 H GLN A 52 24.995 4.048 0.609 1.00 0.00 H new ATOM 0 HA GLN A 52 26.511 1.940 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 52 23.537 2.108 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 52 24.433 0.669 -0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 52 25.912 1.054 1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 52 24.826 2.347 1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 52 22.562 1.776 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 52 22.158 0.109 2.948 1.00 0.00 H new ATOM 704 N THR A 53 25.703 2.347 -3.154 1.00 0.00 N ATOM 705 CA THR A 53 25.286 2.686 -4.544 1.00 0.00 C ATOM 706 C THR A 53 24.587 1.471 -5.160 1.00 0.00 C ATOM 707 O THR A 53 25.071 0.360 -5.079 1.00 0.00 O ATOM 708 CB THR A 53 26.525 3.054 -5.375 1.00 0.00 C ATOM 709 OG1 THR A 53 26.880 4.405 -5.114 1.00 0.00 O ATOM 710 CG2 THR A 53 26.227 2.885 -6.870 1.00 0.00 C ATOM 0 H THR A 53 26.471 1.679 -3.084 1.00 0.00 H new ATOM 0 HA THR A 53 24.602 3.535 -4.533 1.00 0.00 H new ATOM 0 HB THR A 53 27.349 2.395 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.671 4.643 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 53 27.112 3.149 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.956 1.849 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.401 3.538 -7.152 1.00 0.00 H new ATOM 718 N GLY A 54 23.454 1.668 -5.777 1.00 0.00 N ATOM 719 CA GLY A 54 22.740 0.514 -6.391 1.00 0.00 C ATOM 720 C GLY A 54 21.638 1.021 -7.322 1.00 0.00 C ATOM 721 O GLY A 54 21.078 2.081 -7.122 1.00 0.00 O ATOM 0 H GLY A 54 22.994 2.573 -5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.443 -0.105 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.309 -0.115 -5.612 1.00 0.00 H new ATOM 725 N TYR A 55 21.323 0.270 -8.342 1.00 0.00 N ATOM 726 CA TYR A 55 20.257 0.703 -9.289 1.00 0.00 C ATOM 727 C TYR A 55 18.897 0.592 -8.600 1.00 0.00 C ATOM 728 O TYR A 55 18.298 -0.465 -8.555 1.00 0.00 O ATOM 729 CB TYR A 55 20.276 -0.200 -10.523 1.00 0.00 C ATOM 730 CG TYR A 55 20.753 0.597 -11.740 1.00 0.00 C ATOM 731 CD1 TYR A 55 21.820 1.466 -11.637 1.00 0.00 C ATOM 732 CD2 TYR A 55 20.123 0.451 -12.959 1.00 0.00 C ATOM 733 CE1 TYR A 55 22.251 2.176 -12.739 1.00 0.00 C ATOM 734 CE2 TYR A 55 20.555 1.161 -14.059 1.00 0.00 C ATOM 735 CZ TYR A 55 21.622 2.030 -13.958 1.00 0.00 C ATOM 736 OH TYR A 55 22.054 2.741 -15.059 1.00 0.00 O ATOM 0 H TYR A 55 21.759 -0.626 -8.560 1.00 0.00 H new ATOM 0 HA TYR A 55 20.432 1.735 -9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.936 -1.051 -10.352 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.279 -0.601 -10.707 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.321 1.591 -10.688 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.285 -0.224 -13.052 1.00 0.00 H new ATOM 0 HE1 TYR A 55 23.088 2.852 -12.646 1.00 0.00 H new ATOM 0 HE2 TYR A 55 20.054 1.036 -15.008 1.00 0.00 H new ATOM 0 HH TYR A 55 21.498 2.515 -15.833 1.00 0.00 H new ATOM 746 N ILE A 56 18.401 1.671 -8.061 1.00 0.00 N ATOM 747 CA ILE A 56 17.079 1.620 -7.377 1.00 0.00 C ATOM 748 C ILE A 56 15.960 1.665 -8.428 1.00 0.00 C ATOM 749 O ILE A 56 15.868 2.612 -9.183 1.00 0.00 O ATOM 750 CB ILE A 56 16.946 2.822 -6.442 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.793 4.100 -7.270 1.00 0.00 C ATOM 752 CG2 ILE A 56 18.197 2.930 -5.567 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.308 4.445 -7.403 1.00 0.00 C ATOM 0 H ILE A 56 18.854 2.585 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 56 17.001 0.698 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 56 16.069 2.692 -5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.327 4.922 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 56 17.235 3.962 -8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 56 18.102 3.787 -4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.307 2.021 -4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 56 19.074 3.059 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.197 5.355 -7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.787 3.626 -7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 56 14.880 4.600 -6.412 1.00 0.00 H new ATOM 765 N PRO A 57 15.140 0.641 -8.446 1.00 0.00 N ATOM 766 CA PRO A 57 14.021 0.554 -9.403 1.00 0.00 C ATOM 767 C PRO A 57 13.036 1.703 -9.170 1.00 0.00 C ATOM 768 O PRO A 57 13.038 2.334 -8.132 1.00 0.00 O ATOM 769 CB PRO A 57 13.356 -0.798 -9.112 1.00 0.00 C ATOM 770 CG PRO A 57 14.124 -1.457 -7.936 1.00 0.00 C ATOM 771 CD PRO A 57 15.259 -0.505 -7.526 1.00 0.00 C ATOM 0 HA PRO A 57 14.353 0.629 -10.438 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.306 -0.660 -8.854 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.386 -1.437 -9.995 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.454 -1.638 -7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.526 -2.424 -8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.156 -0.191 -6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.232 -0.987 -7.618 1.00 0.00 H new ATOM 779 N SER A 58 12.194 1.976 -10.128 1.00 0.00 N ATOM 780 CA SER A 58 11.210 3.082 -9.963 1.00 0.00 C ATOM 781 C SER A 58 9.937 2.541 -9.311 1.00 0.00 C ATOM 782 O SER A 58 8.874 3.119 -9.425 1.00 0.00 O ATOM 783 CB SER A 58 10.871 3.669 -11.333 1.00 0.00 C ATOM 784 OG SER A 58 11.229 2.740 -12.346 1.00 0.00 O ATOM 0 H SER A 58 12.145 1.481 -11.018 1.00 0.00 H new ATOM 0 HA SER A 58 11.639 3.859 -9.330 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.806 3.895 -11.391 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.404 4.608 -11.481 1.00 0.00 H new ATOM 0 HG SER A 58 10.473 2.615 -12.957 1.00 0.00 H new ATOM 790 N ASN A 59 10.032 1.433 -8.629 1.00 0.00 N ATOM 791 CA ASN A 59 8.826 0.857 -7.972 1.00 0.00 C ATOM 792 C ASN A 59 9.021 0.866 -6.454 1.00 0.00 C ATOM 793 O ASN A 59 8.083 0.709 -5.699 1.00 0.00 O ATOM 794 CB ASN A 59 8.623 -0.582 -8.450 1.00 0.00 C ATOM 795 CG ASN A 59 8.043 -0.573 -9.867 1.00 0.00 C ATOM 796 OD1 ASN A 59 7.560 0.439 -10.332 1.00 0.00 O ATOM 797 ND2 ASN A 59 8.070 -1.668 -10.576 1.00 0.00 N ATOM 0 H ASN A 59 10.893 0.902 -8.499 1.00 0.00 H new ATOM 0 HA ASN A 59 7.951 1.453 -8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.572 -1.118 -8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.950 -1.110 -7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.685 -1.674 -11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.476 -2.518 -10.186 1.00 0.00 H new ATOM 804 N TYR A 60 10.231 1.048 -6.000 1.00 0.00 N ATOM 805 CA TYR A 60 10.479 1.065 -4.531 1.00 0.00 C ATOM 806 C TYR A 60 10.914 2.468 -4.099 1.00 0.00 C ATOM 807 O TYR A 60 11.328 2.680 -2.973 1.00 0.00 O ATOM 808 CB TYR A 60 11.568 0.049 -4.188 1.00 0.00 C ATOM 809 CG TYR A 60 11.049 -1.354 -4.504 1.00 0.00 C ATOM 810 CD1 TYR A 60 11.212 -1.899 -5.761 1.00 0.00 C ATOM 811 CD2 TYR A 60 10.395 -2.089 -3.540 1.00 0.00 C ATOM 812 CE1 TYR A 60 10.728 -3.160 -6.047 1.00 0.00 C ATOM 813 CE2 TYR A 60 9.910 -3.348 -3.823 1.00 0.00 C ATOM 814 CZ TYR A 60 10.073 -3.894 -5.079 1.00 0.00 C ATOM 815 OH TYR A 60 9.587 -5.154 -5.365 1.00 0.00 O ATOM 0 H TYR A 60 11.057 1.185 -6.582 1.00 0.00 H new ATOM 0 HA TYR A 60 9.563 0.800 -4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.471 0.256 -4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.836 0.124 -3.134 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.722 -1.335 -6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.261 -1.674 -2.552 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.863 -3.575 -7.035 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.399 -3.911 -3.056 1.00 0.00 H new ATOM 0 HH TYR A 60 9.155 -5.527 -4.568 1.00 0.00 H new ATOM 825 N VAL A 61 10.817 3.425 -4.986 1.00 0.00 N ATOM 826 CA VAL A 61 11.217 4.820 -4.645 1.00 0.00 C ATOM 827 C VAL A 61 10.066 5.759 -5.013 1.00 0.00 C ATOM 828 O VAL A 61 8.964 5.328 -5.287 1.00 0.00 O ATOM 829 CB VAL A 61 12.492 5.204 -5.417 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.144 5.679 -6.834 1.00 0.00 C ATOM 831 CG2 VAL A 61 13.230 6.318 -4.671 1.00 0.00 C ATOM 0 H VAL A 61 10.475 3.297 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 61 11.428 4.900 -3.579 1.00 0.00 H new ATOM 0 HB VAL A 61 13.132 4.324 -5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.059 5.946 -7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.634 4.879 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.491 6.550 -6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.132 6.588 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.582 7.190 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.502 5.970 -3.674 1.00 0.00 H new ATOM 841 N ALA A 62 10.309 7.036 -5.022 1.00 0.00 N ATOM 842 CA ALA A 62 9.222 7.993 -5.374 1.00 0.00 C ATOM 843 C ALA A 62 9.739 9.435 -5.254 1.00 0.00 C ATOM 844 O ALA A 62 10.281 9.808 -4.233 1.00 0.00 O ATOM 845 CB ALA A 62 8.047 7.798 -4.415 1.00 0.00 C ATOM 0 H ALA A 62 11.210 7.461 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 62 8.898 7.809 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.250 8.497 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.675 6.777 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.377 7.981 -3.393 1.00 0.00 H new ATOM 851 N PRO A 63 9.559 10.206 -6.302 1.00 0.00 N ATOM 852 CA PRO A 63 10.005 11.612 -6.325 1.00 0.00 C ATOM 853 C PRO A 63 9.214 12.434 -5.302 1.00 0.00 C ATOM 854 O PRO A 63 8.251 13.094 -5.636 1.00 0.00 O ATOM 855 CB PRO A 63 9.701 12.098 -7.748 1.00 0.00 C ATOM 856 CG PRO A 63 8.982 10.945 -8.497 1.00 0.00 C ATOM 857 CD PRO A 63 8.915 9.741 -7.545 1.00 0.00 C ATOM 0 HA PRO A 63 11.060 11.716 -6.071 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.072 12.988 -7.722 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.621 12.373 -8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.980 11.251 -8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.523 10.684 -9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.884 9.435 -7.366 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.435 8.878 -7.961 1.00 0.00 H new ATOM 865 N SER A 64 9.613 12.401 -4.060 1.00 0.00 N ATOM 866 CA SER A 64 8.881 13.184 -3.024 1.00 0.00 C ATOM 867 C SER A 64 9.825 13.501 -1.863 1.00 0.00 C ATOM 868 O SER A 64 10.916 13.977 -2.126 1.00 0.00 O ATOM 869 CB SER A 64 7.697 12.364 -2.509 1.00 0.00 C ATOM 870 OG SER A 64 7.212 11.526 -3.550 1.00 0.00 O ATOM 871 OXT SER A 64 9.439 13.263 -0.730 1.00 0.00 O ATOM 0 H SER A 64 10.412 11.867 -3.718 1.00 0.00 H new ATOM 0 HA SER A 64 8.517 14.114 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.003 11.760 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.905 13.028 -2.163 1.00 0.00 H new ATOM 0 HG SER A 64 6.454 10.999 -3.220 1.00 0.00 H new