USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 785 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 59 GLN : amide:sc= 0.973 K(o=0.85,f=-0.3) USER MOD Set 1.2: A 70 HIS :FLIP no HD1:sc= -0.127 F(o=-0.0083,f=0.85) USER MOD Single : A 2 ASN : amide:sc= -0.0638 X(o=-0.064,f=-0.48) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 73:sc= 1.18 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0.0954 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.37 X(o=0.37,f=0) USER MOD Single : A 47 SER OG : rot -170:sc= 0.737 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.3) USER MOD Single : A 54 GLN : amide:sc= -0.0839 X(o=-0.084,f=-0.11) USER MOD Single : A 58 HIS : no HE2:sc= -1.22 X(o=-1.2,f=-1.3!) USER MOD Single : A 64 THR OG1 : rot 119:sc= -0.288 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 150:sc=-0.00537 USER MOD Single : A 83 SER OG : rot -43:sc= 1.19 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 94:sc= 0.836 USER MOD Single : A 97 GLN : amide:sc= 0.31 X(o=0.31,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.387 K(o=-0.39,f=-1.9!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 2 5.060 -20.042 -9.751 1.00 1.00 N ATOM 18 CA ASN A 2 4.396 -18.818 -9.427 1.00 1.00 C ATOM 19 C ASN A 2 5.228 -17.890 -8.609 1.00 1.00 C ATOM 20 O ASN A 2 5.228 -16.679 -8.821 1.00 1.00 O ATOM 21 CB ASN A 2 3.041 -19.066 -8.741 1.00 1.00 C ATOM 22 CG ASN A 2 3.098 -19.887 -7.461 1.00 1.00 C ATOM 23 OD1 ASN A 2 4.059 -20.584 -7.139 1.00 1.00 O ATOM 24 ND2 ASN A 2 2.004 -19.809 -6.657 1.00 1.00 N ATOM 0 HA ASN A 2 4.219 -18.326 -10.384 1.00 1.00 H new ATOM 0 HB2 ASN A 2 2.586 -18.102 -8.514 1.00 1.00 H new ATOM 0 HB3 ASN A 2 2.382 -19.571 -9.447 1.00 1.00 H new ATOM 0 HD21 ASN A 2 1.977 -20.330 -5.781 1.00 1.00 H new ATOM 0 HD22 ASN A 2 1.211 -19.229 -6.930 1.00 1.00 H new ATOM 31 N ASP A 3 6.028 -18.457 -7.689 1.00 1.00 N ATOM 32 CA ASP A 3 6.928 -17.800 -6.793 1.00 1.00 C ATOM 33 C ASP A 3 7.921 -16.940 -7.497 1.00 1.00 C ATOM 34 O ASP A 3 7.989 -15.737 -7.256 1.00 1.00 O ATOM 35 CB ASP A 3 7.594 -18.914 -5.967 1.00 1.00 C ATOM 36 CG ASP A 3 8.373 -18.395 -4.766 1.00 1.00 C ATOM 37 OD1 ASP A 3 9.449 -17.772 -4.964 1.00 1.00 O ATOM 38 OD2 ASP A 3 7.920 -18.619 -3.612 1.00 1.00 O ATOM 0 H ASP A 3 6.045 -19.469 -7.562 1.00 1.00 H new ATOM 0 HA ASP A 3 6.390 -17.105 -6.149 1.00 1.00 H new ATOM 0 HB2 ASP A 3 6.827 -19.607 -5.621 1.00 1.00 H new ATOM 0 HB3 ASP A 3 8.268 -19.480 -6.611 1.00 1.00 H new ATOM 43 N SER A 4 8.665 -17.510 -8.462 1.00 1.00 N ATOM 44 CA SER A 4 9.614 -16.852 -9.305 1.00 1.00 C ATOM 45 C SER A 4 9.071 -15.658 -10.012 1.00 1.00 C ATOM 46 O SER A 4 9.602 -14.555 -9.913 1.00 1.00 O ATOM 47 CB SER A 4 10.147 -17.811 -10.385 1.00 1.00 C ATOM 48 OG SER A 4 10.809 -18.918 -9.792 1.00 1.00 O ATOM 0 H SER A 4 8.597 -18.507 -8.667 1.00 1.00 H new ATOM 0 HA SER A 4 10.403 -16.526 -8.627 1.00 1.00 H new ATOM 0 HB2 SER A 4 9.322 -18.164 -11.004 1.00 1.00 H new ATOM 0 HB3 SER A 4 10.835 -17.280 -11.043 1.00 1.00 H new ATOM 0 HG SER A 4 11.139 -19.516 -10.494 1.00 1.00 H new ATOM 54 N GLU A 5 7.948 -15.850 -10.728 1.00 1.00 N ATOM 55 CA GLU A 5 7.281 -14.858 -11.513 1.00 1.00 C ATOM 56 C GLU A 5 6.718 -13.739 -10.707 1.00 1.00 C ATOM 57 O GLU A 5 6.954 -12.569 -11.010 1.00 1.00 O ATOM 58 CB GLU A 5 6.159 -15.520 -12.329 1.00 1.00 C ATOM 59 CG GLU A 5 6.676 -16.433 -13.443 1.00 1.00 C ATOM 60 CD GLU A 5 7.100 -15.663 -14.685 1.00 1.00 C ATOM 61 OE1 GLU A 5 8.062 -14.851 -14.633 1.00 1.00 O ATOM 62 OE2 GLU A 5 6.457 -15.873 -15.749 1.00 1.00 O ATOM 0 H GLU A 5 7.478 -16.754 -10.760 1.00 1.00 H new ATOM 0 HA GLU A 5 8.033 -14.420 -12.169 1.00 1.00 H new ATOM 0 HB2 GLU A 5 5.526 -16.100 -11.658 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.532 -14.744 -12.767 1.00 1.00 H new ATOM 0 HG2 GLU A 5 7.523 -17.009 -13.071 1.00 1.00 H new ATOM 0 HG3 GLU A 5 5.898 -17.148 -13.712 1.00 1.00 H new ATOM 69 N PHE A 6 5.975 -14.040 -9.627 1.00 1.00 N ATOM 70 CA PHE A 6 5.495 -13.064 -8.698 1.00 1.00 C ATOM 71 C PHE A 6 6.569 -12.313 -7.989 1.00 1.00 C ATOM 72 O PHE A 6 6.444 -11.102 -7.812 1.00 1.00 O ATOM 73 CB PHE A 6 4.529 -13.740 -7.711 1.00 1.00 C ATOM 74 CG PHE A 6 3.708 -12.760 -6.948 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.971 -11.796 -7.593 1.00 1.00 C ATOM 76 CD2 PHE A 6 3.678 -12.815 -5.575 1.00 1.00 C ATOM 77 CE1 PHE A 6 2.199 -10.905 -6.883 1.00 1.00 C ATOM 78 CE2 PHE A 6 2.907 -11.935 -4.854 1.00 1.00 C ATOM 79 CZ PHE A 6 2.163 -10.983 -5.511 1.00 1.00 C ATOM 0 H PHE A 6 5.699 -14.994 -9.392 1.00 1.00 H new ATOM 0 HA PHE A 6 4.968 -12.303 -9.274 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.869 -14.413 -8.258 1.00 1.00 H new ATOM 0 HB3 PHE A 6 5.099 -14.352 -7.012 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.998 -11.737 -8.671 1.00 1.00 H new ATOM 0 HD2 PHE A 6 4.267 -13.558 -5.057 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.626 -10.150 -7.400 1.00 1.00 H new ATOM 0 HE2 PHE A 6 2.885 -11.991 -3.776 1.00 1.00 H new ATOM 0 HZ PHE A 6 1.549 -10.295 -4.948 1.00 1.00 H new ATOM 89 N HIS A 7 7.695 -12.935 -7.596 1.00 1.00 N ATOM 90 CA HIS A 7 8.806 -12.281 -6.977 1.00 1.00 C ATOM 91 C HIS A 7 9.493 -11.313 -7.877 1.00 1.00 C ATOM 92 O HIS A 7 9.887 -10.230 -7.450 1.00 1.00 O ATOM 93 CB HIS A 7 9.751 -13.379 -6.460 1.00 1.00 C ATOM 94 CG HIS A 7 11.162 -13.037 -6.087 1.00 1.00 C ATOM 95 ND1 HIS A 7 11.563 -12.124 -5.147 1.00 1.00 N ATOM 96 CD2 HIS A 7 12.289 -13.620 -6.577 1.00 1.00 C ATOM 97 CE1 HIS A 7 12.880 -12.154 -5.067 1.00 1.00 C ATOM 98 NE2 HIS A 7 13.346 -13.050 -5.916 1.00 1.00 N ATOM 0 H HIS A 7 7.837 -13.938 -7.715 1.00 1.00 H new ATOM 0 HA HIS A 7 8.453 -11.665 -6.149 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.282 -13.824 -5.582 1.00 1.00 H new ATOM 0 HB3 HIS A 7 9.796 -14.155 -7.225 1.00 1.00 H new ATOM 0 HD2 HIS A 7 12.341 -14.384 -7.339 1.00 1.00 H new ATOM 0 HE1 HIS A 7 13.481 -11.542 -4.411 1.00 1.00 H new ATOM 0 HE2 HIS A 7 14.330 -13.280 -6.057 1.00 1.00 H new ATOM 106 N ARG A 8 9.618 -11.627 -9.179 1.00 1.00 N ATOM 107 CA ARG A 8 10.096 -10.751 -10.204 1.00 1.00 C ATOM 108 C ARG A 8 9.268 -9.517 -10.327 1.00 1.00 C ATOM 109 O ARG A 8 9.750 -8.391 -10.206 1.00 1.00 O ATOM 110 CB ARG A 8 10.100 -11.515 -11.539 1.00 1.00 C ATOM 111 CG ARG A 8 10.778 -10.849 -12.737 1.00 1.00 C ATOM 112 CD ARG A 8 12.306 -10.823 -12.676 1.00 1.00 C ATOM 113 NE ARG A 8 12.756 -9.471 -12.244 1.00 1.00 N ATOM 114 CZ ARG A 8 13.184 -8.493 -13.096 1.00 1.00 C ATOM 115 NH1 ARG A 8 13.108 -8.612 -14.453 1.00 1.00 N ATOM 116 NH2 ARG A 8 13.704 -7.337 -12.589 1.00 1.00 N ATOM 0 H ARG A 8 9.370 -12.549 -9.537 1.00 1.00 H new ATOM 0 HA ARG A 8 11.104 -10.431 -9.938 1.00 1.00 H new ATOM 0 HB2 ARG A 8 10.583 -12.478 -11.373 1.00 1.00 H new ATOM 0 HB3 ARG A 8 9.065 -11.720 -11.811 1.00 1.00 H new ATOM 0 HG2 ARG A 8 10.473 -11.370 -13.645 1.00 1.00 H new ATOM 0 HG3 ARG A 8 10.414 -9.825 -12.820 1.00 1.00 H new ATOM 0 HD2 ARG A 8 12.667 -11.579 -11.979 1.00 1.00 H new ATOM 0 HD3 ARG A 8 12.725 -11.064 -13.653 1.00 1.00 H new ATOM 0 HE ARG A 8 12.744 -9.261 -11.246 1.00 1.00 H new ATOM 0 HH11 ARG A 8 12.719 -9.458 -14.870 1.00 1.00 H new ATOM 0 HH12 ARG A 8 13.440 -7.855 -15.051 1.00 1.00 H new ATOM 0 HH21 ARG A 8 13.771 -7.208 -11.579 1.00 1.00 H new ATOM 0 HH22 ARG A 8 14.025 -6.603 -13.220 1.00 1.00 H new ATOM 130 N LEU A 9 7.948 -9.697 -10.512 1.00 1.00 N ATOM 131 CA LEU A 9 6.974 -8.652 -10.544 1.00 1.00 C ATOM 132 C LEU A 9 6.954 -7.811 -9.315 1.00 1.00 C ATOM 133 O LEU A 9 7.001 -6.584 -9.408 1.00 1.00 O ATOM 134 CB LEU A 9 5.572 -9.248 -10.760 1.00 1.00 C ATOM 135 CG LEU A 9 5.324 -9.839 -12.158 1.00 1.00 C ATOM 136 CD1 LEU A 9 4.021 -10.657 -12.173 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.278 -8.759 -13.252 1.00 1.00 C ATOM 0 H LEU A 9 7.539 -10.622 -10.646 1.00 1.00 H new ATOM 0 HA LEU A 9 7.259 -8.003 -11.372 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.408 -10.029 -10.018 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.831 -8.471 -10.574 1.00 1.00 H new ATOM 0 HG LEU A 9 6.167 -10.493 -12.380 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.861 -11.068 -13.170 1.00 1.00 H new ATOM 0 HD12 LEU A 9 4.094 -11.471 -11.452 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.183 -10.012 -11.908 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.101 -9.229 -14.220 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.473 -8.057 -13.036 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.228 -8.225 -13.277 1.00 1.00 H new ATOM 149 N ALA A 10 6.915 -8.435 -8.124 1.00 1.00 N ATOM 150 CA ALA A 10 6.856 -7.824 -6.831 1.00 1.00 C ATOM 151 C ALA A 10 7.966 -6.872 -6.546 1.00 1.00 C ATOM 152 O ALA A 10 7.717 -5.741 -6.132 1.00 1.00 O ATOM 153 CB ALA A 10 6.796 -8.889 -5.724 1.00 1.00 C ATOM 0 H ALA A 10 6.926 -9.453 -8.062 1.00 1.00 H new ATOM 0 HA ALA A 10 5.939 -7.234 -6.841 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.752 -8.400 -4.751 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.908 -9.506 -5.861 1.00 1.00 H new ATOM 0 HB3 ALA A 10 7.686 -9.517 -5.775 1.00 1.00 H new ATOM 159 N ASP A 11 9.229 -7.261 -6.800 1.00 1.00 N ATOM 160 CA ASP A 11 10.338 -6.363 -6.725 1.00 1.00 C ATOM 161 C ASP A 11 10.206 -5.214 -7.665 1.00 1.00 C ATOM 162 O ASP A 11 10.262 -4.062 -7.235 1.00 1.00 O ATOM 163 CB ASP A 11 11.660 -7.115 -6.955 1.00 1.00 C ATOM 164 CG ASP A 11 12.239 -7.580 -5.627 1.00 1.00 C ATOM 165 OD1 ASP A 11 12.696 -6.711 -4.840 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.295 -8.810 -5.363 1.00 1.00 O ATOM 0 H ASP A 11 9.483 -8.214 -7.061 1.00 1.00 H new ATOM 0 HA ASP A 11 10.344 -5.944 -5.719 1.00 1.00 H new ATOM 0 HB2 ASP A 11 11.490 -7.973 -7.606 1.00 1.00 H new ATOM 0 HB3 ASP A 11 12.373 -6.465 -7.463 1.00 1.00 H new ATOM 171 N GLN A 12 9.963 -5.441 -8.969 1.00 1.00 N ATOM 172 CA GLN A 12 9.780 -4.367 -9.895 1.00 1.00 C ATOM 173 C GLN A 12 8.728 -3.357 -9.590 1.00 1.00 C ATOM 174 O GLN A 12 8.972 -2.156 -9.687 1.00 1.00 O ATOM 175 CB GLN A 12 9.541 -4.907 -11.316 1.00 1.00 C ATOM 176 CG GLN A 12 10.763 -5.679 -11.820 1.00 1.00 C ATOM 177 CD GLN A 12 10.645 -5.905 -13.321 1.00 1.00 C ATOM 178 OE1 GLN A 12 11.078 -5.086 -14.132 1.00 1.00 O ATOM 179 NE2 GLN A 12 9.972 -7.026 -13.692 1.00 1.00 N ATOM 0 H GLN A 12 9.893 -6.371 -9.382 1.00 1.00 H new ATOM 0 HA GLN A 12 10.720 -3.823 -9.804 1.00 1.00 H new ATOM 0 HB2 GLN A 12 8.667 -5.559 -11.319 1.00 1.00 H new ATOM 0 HB3 GLN A 12 9.324 -4.080 -11.992 1.00 1.00 H new ATOM 0 HG2 GLN A 12 11.674 -5.123 -11.597 1.00 1.00 H new ATOM 0 HG3 GLN A 12 10.839 -6.636 -11.303 1.00 1.00 H new ATOM 0 HE21 GLN A 12 9.632 -7.675 -12.982 1.00 1.00 H new ATOM 0 HE22 GLN A 12 9.807 -7.218 -14.680 1.00 1.00 H new ATOM 188 N LEU A 13 7.514 -3.782 -9.192 1.00 1.00 N ATOM 189 CA LEU A 13 6.462 -2.902 -8.789 1.00 1.00 C ATOM 190 C LEU A 13 6.760 -2.146 -7.540 1.00 1.00 C ATOM 191 O LEU A 13 6.473 -0.951 -7.490 1.00 1.00 O ATOM 192 CB LEU A 13 5.095 -3.608 -8.773 1.00 1.00 C ATOM 193 CG LEU A 13 4.871 -4.815 -7.847 1.00 1.00 C ATOM 194 CD1 LEU A 13 4.309 -4.424 -6.469 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.919 -5.832 -8.498 1.00 1.00 C ATOM 0 H LEU A 13 7.258 -4.768 -9.150 1.00 1.00 H new ATOM 0 HA LEU A 13 6.398 -2.132 -9.558 1.00 1.00 H new ATOM 0 HB2 LEU A 13 4.345 -2.859 -8.519 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.886 -3.936 -9.791 1.00 1.00 H new ATOM 0 HG LEU A 13 5.855 -5.258 -7.694 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.174 -5.320 -5.864 1.00 1.00 H new ATOM 0 HD12 LEU A 13 5.006 -3.751 -5.970 1.00 1.00 H new ATOM 0 HD13 LEU A 13 3.349 -3.924 -6.596 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.775 -6.678 -7.825 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.958 -5.357 -8.695 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.348 -6.184 -9.436 1.00 1.00 H new ATOM 207 N TRP A 14 7.412 -2.758 -6.535 1.00 1.00 N ATOM 208 CA TRP A 14 7.966 -2.078 -5.407 1.00 1.00 C ATOM 209 C TRP A 14 8.816 -0.907 -5.763 1.00 1.00 C ATOM 210 O TRP A 14 8.509 0.208 -5.347 1.00 1.00 O ATOM 211 CB TRP A 14 8.788 -2.951 -4.445 1.00 1.00 C ATOM 212 CG TRP A 14 8.171 -4.019 -3.572 1.00 1.00 C ATOM 213 CD1 TRP A 14 8.903 -4.954 -2.897 1.00 1.00 C ATOM 214 CD2 TRP A 14 6.805 -4.220 -3.166 1.00 1.00 C ATOM 215 NE1 TRP A 14 8.097 -5.709 -2.086 1.00 1.00 N ATOM 216 CE2 TRP A 14 6.800 -5.291 -2.263 1.00 1.00 C ATOM 217 CE3 TRP A 14 5.637 -3.583 -3.483 1.00 1.00 C ATOM 218 CZ2 TRP A 14 5.631 -5.732 -1.703 1.00 1.00 C ATOM 219 CZ3 TRP A 14 4.470 -4.023 -2.906 1.00 1.00 C ATOM 220 CH2 TRP A 14 4.464 -5.082 -2.030 1.00 1.00 C ATOM 0 H TRP A 14 7.559 -3.767 -6.508 1.00 1.00 H new ATOM 0 HA TRP A 14 7.059 -1.752 -4.898 1.00 1.00 H new ATOM 0 HB2 TRP A 14 9.548 -3.446 -5.049 1.00 1.00 H new ATOM 0 HB3 TRP A 14 9.309 -2.267 -3.775 1.00 1.00 H new ATOM 0 HD1 TRP A 14 9.971 -5.081 -2.990 1.00 1.00 H new ATOM 0 HE1 TRP A 14 8.406 -6.452 -1.460 1.00 1.00 H new ATOM 0 HE3 TRP A 14 5.632 -2.752 -4.172 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 5.625 -6.570 -1.021 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.541 -3.528 -3.145 1.00 1.00 H new ATOM 0 HH2 TRP A 14 3.532 -5.408 -1.593 1.00 1.00 H new ATOM 231 N LEU A 15 9.868 -1.081 -6.584 1.00 1.00 N ATOM 232 CA LEU A 15 10.729 -0.020 -7.007 1.00 1.00 C ATOM 233 C LEU A 15 10.004 1.096 -7.678 1.00 1.00 C ATOM 234 O LEU A 15 10.225 2.275 -7.410 1.00 1.00 O ATOM 235 CB LEU A 15 11.798 -0.464 -8.021 1.00 1.00 C ATOM 236 CG LEU A 15 12.601 -1.716 -7.629 1.00 1.00 C ATOM 237 CD1 LEU A 15 13.569 -2.131 -8.749 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.360 -1.577 -6.299 1.00 1.00 C ATOM 0 H LEU A 15 10.128 -1.990 -6.966 1.00 1.00 H new ATOM 0 HA LEU A 15 11.182 0.304 -6.070 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.311 -0.651 -8.978 1.00 1.00 H new ATOM 0 HB3 LEU A 15 12.495 0.360 -8.173 1.00 1.00 H new ATOM 0 HG LEU A 15 11.858 -2.500 -7.483 1.00 1.00 H new ATOM 0 HD11 LEU A 15 14.122 -3.019 -8.442 1.00 1.00 H new ATOM 0 HD12 LEU A 15 13.004 -2.351 -9.655 1.00 1.00 H new ATOM 0 HD13 LEU A 15 14.268 -1.318 -8.945 1.00 1.00 H new ATOM 0 HD21 LEU A 15 13.902 -2.500 -6.091 1.00 1.00 H new ATOM 0 HD22 LEU A 15 14.066 -0.749 -6.368 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.651 -1.383 -5.494 1.00 1.00 H new ATOM 250 N THR A 16 9.075 0.716 -8.574 1.00 1.00 N ATOM 251 CA THR A 16 8.243 1.607 -9.323 1.00 1.00 C ATOM 252 C THR A 16 7.426 2.512 -8.466 1.00 1.00 C ATOM 253 O THR A 16 7.481 3.733 -8.604 1.00 1.00 O ATOM 254 CB THR A 16 7.321 0.925 -10.287 1.00 1.00 C ATOM 255 OG1 THR A 16 8.011 -0.039 -11.069 1.00 1.00 O ATOM 256 CG2 THR A 16 6.745 1.937 -11.293 1.00 1.00 C ATOM 0 H THR A 16 8.895 -0.265 -8.787 1.00 1.00 H new ATOM 0 HA THR A 16 8.967 2.193 -9.889 1.00 1.00 H new ATOM 0 HB THR A 16 6.541 0.459 -9.685 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.227 -0.817 -10.514 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.078 1.423 -11.985 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.189 2.707 -10.757 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.559 2.400 -11.851 1.00 1.00 H new ATOM 264 N ILE A 17 6.647 1.952 -7.523 1.00 1.00 N ATOM 265 CA ILE A 17 5.833 2.635 -6.565 1.00 1.00 C ATOM 266 C ILE A 17 6.603 3.542 -5.669 1.00 1.00 C ATOM 267 O ILE A 17 6.228 4.697 -5.474 1.00 1.00 O ATOM 268 CB ILE A 17 5.057 1.640 -5.754 1.00 1.00 C ATOM 269 CG1 ILE A 17 4.042 0.893 -6.638 1.00 1.00 C ATOM 270 CG2 ILE A 17 4.317 2.305 -4.582 1.00 1.00 C ATOM 271 CD1 ILE A 17 3.506 -0.376 -5.978 1.00 1.00 C ATOM 0 H ILE A 17 6.582 0.939 -7.424 1.00 1.00 H new ATOM 0 HA ILE A 17 5.152 3.271 -7.131 1.00 1.00 H new ATOM 0 HB ILE A 17 5.779 0.933 -5.346 1.00 1.00 H new ATOM 0 HG12 ILE A 17 3.209 1.557 -6.868 1.00 1.00 H new ATOM 0 HG13 ILE A 17 4.514 0.633 -7.586 1.00 1.00 H new ATOM 0 HG21 ILE A 17 3.768 1.548 -4.022 1.00 1.00 H new ATOM 0 HG22 ILE A 17 5.038 2.791 -3.925 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.619 3.048 -4.967 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.795 -0.861 -6.646 1.00 1.00 H new ATOM 0 HD12 ILE A 17 4.333 -1.056 -5.772 1.00 1.00 H new ATOM 0 HD13 ILE A 17 3.008 -0.118 -5.044 1.00 1.00 H new ATOM 283 N GLU A 18 7.730 3.061 -5.112 1.00 1.00 N ATOM 284 CA GLU A 18 8.641 3.789 -4.285 1.00 1.00 C ATOM 285 C GLU A 18 9.090 5.058 -4.922 1.00 1.00 C ATOM 286 O GLU A 18 8.844 6.138 -4.386 1.00 1.00 O ATOM 287 CB GLU A 18 9.863 2.906 -3.977 1.00 1.00 C ATOM 288 CG GLU A 18 9.640 1.925 -2.824 1.00 1.00 C ATOM 289 CD GLU A 18 10.966 1.310 -2.396 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.543 0.501 -3.171 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.470 1.659 -1.296 1.00 1.00 O ATOM 0 H GLU A 18 8.024 2.094 -5.251 1.00 1.00 H new ATOM 0 HA GLU A 18 8.118 4.052 -3.366 1.00 1.00 H new ATOM 0 HB2 GLU A 18 10.129 2.345 -4.873 1.00 1.00 H new ATOM 0 HB3 GLU A 18 10.712 3.547 -3.738 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.181 2.441 -1.981 1.00 1.00 H new ATOM 0 HG3 GLU A 18 8.949 1.140 -3.132 1.00 1.00 H new ATOM 298 N GLU A 19 9.688 4.960 -6.122 1.00 1.00 N ATOM 299 CA GLU A 19 10.084 6.067 -6.939 1.00 1.00 C ATOM 300 C GLU A 19 8.983 7.033 -7.206 1.00 1.00 C ATOM 301 O GLU A 19 9.104 8.226 -6.931 1.00 1.00 O ATOM 302 CB GLU A 19 10.663 5.591 -8.282 1.00 1.00 C ATOM 303 CG GLU A 19 12.134 5.960 -8.483 1.00 1.00 C ATOM 304 CD GLU A 19 13.104 4.935 -7.913 1.00 1.00 C ATOM 305 OE1 GLU A 19 13.267 3.849 -8.532 1.00 1.00 O ATOM 306 OE2 GLU A 19 13.804 5.251 -6.914 1.00 1.00 O ATOM 0 H GLU A 19 9.908 4.059 -6.546 1.00 1.00 H new ATOM 0 HA GLU A 19 10.849 6.586 -6.362 1.00 1.00 H new ATOM 0 HB2 GLU A 19 10.557 4.508 -8.350 1.00 1.00 H new ATOM 0 HB3 GLU A 19 10.076 6.021 -9.093 1.00 1.00 H new ATOM 0 HG2 GLU A 19 12.328 6.077 -9.549 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.324 6.926 -8.016 1.00 1.00 H new ATOM 313 N ARG A 20 7.851 6.548 -7.744 1.00 1.00 N ATOM 314 CA ARG A 20 6.765 7.346 -8.224 1.00 1.00 C ATOM 315 C ARG A 20 6.164 8.262 -7.216 1.00 1.00 C ATOM 316 O ARG A 20 6.021 9.454 -7.485 1.00 1.00 O ATOM 317 CB ARG A 20 5.705 6.452 -8.890 1.00 1.00 C ATOM 318 CG ARG A 20 4.717 7.151 -9.826 1.00 1.00 C ATOM 319 CD ARG A 20 5.375 7.952 -10.952 1.00 1.00 C ATOM 320 NE ARG A 20 4.406 8.069 -12.078 1.00 1.00 N ATOM 321 CZ ARG A 20 4.491 7.354 -13.238 1.00 1.00 C ATOM 322 NH1 ARG A 20 5.413 6.366 -13.433 1.00 1.00 N ATOM 323 NH2 ARG A 20 3.643 7.644 -14.267 1.00 1.00 N ATOM 0 H ARG A 20 7.684 5.547 -7.850 1.00 1.00 H new ATOM 0 HA ARG A 20 7.193 8.018 -8.968 1.00 1.00 H new ATOM 0 HB2 ARG A 20 6.220 5.675 -9.455 1.00 1.00 H new ATOM 0 HB3 ARG A 20 5.137 5.952 -8.105 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.059 6.402 -10.266 1.00 1.00 H new ATOM 0 HG3 ARG A 20 4.089 7.821 -9.238 1.00 1.00 H new ATOM 0 HD2 ARG A 20 5.662 8.941 -10.595 1.00 1.00 H new ATOM 0 HD3 ARG A 20 6.286 7.457 -11.287 1.00 1.00 H new ATOM 0 HE ARG A 20 3.631 8.724 -11.976 1.00 1.00 H new ATOM 0 HH11 ARG A 20 6.077 6.135 -12.694 1.00 1.00 H new ATOM 0 HH12 ARG A 20 5.438 5.859 -14.318 1.00 1.00 H new ATOM 0 HH21 ARG A 20 2.954 8.389 -14.165 1.00 1.00 H new ATOM 0 HH22 ARG A 20 3.698 7.116 -15.138 1.00 1.00 H new ATOM 337 N LEU A 21 5.827 7.778 -6.007 1.00 1.00 N ATOM 338 CA LEU A 21 5.291 8.647 -5.006 1.00 1.00 C ATOM 339 C LEU A 21 6.317 9.436 -4.267 1.00 1.00 C ATOM 340 O LEU A 21 6.046 10.581 -3.910 1.00 1.00 O ATOM 341 CB LEU A 21 4.272 7.981 -4.065 1.00 1.00 C ATOM 342 CG LEU A 21 2.895 8.665 -4.040 1.00 1.00 C ATOM 343 CD1 LEU A 21 1.907 7.931 -3.119 1.00 1.00 C ATOM 344 CD2 LEU A 21 2.932 10.143 -3.617 1.00 1.00 C ATOM 0 H LEU A 21 5.923 6.802 -5.726 1.00 1.00 H new ATOM 0 HA LEU A 21 4.721 9.374 -5.585 1.00 1.00 H new ATOM 0 HB2 LEU A 21 4.143 6.941 -4.365 1.00 1.00 H new ATOM 0 HB3 LEU A 21 4.679 7.973 -3.054 1.00 1.00 H new ATOM 0 HG LEU A 21 2.561 8.618 -5.076 1.00 1.00 H new ATOM 0 HD11 LEU A 21 0.947 8.447 -3.130 1.00 1.00 H new ATOM 0 HD12 LEU A 21 1.773 6.908 -3.470 1.00 1.00 H new ATOM 0 HD13 LEU A 21 2.299 7.917 -2.102 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.921 10.549 -3.626 1.00 1.00 H new ATOM 0 HD22 LEU A 21 3.347 10.224 -2.612 1.00 1.00 H new ATOM 0 HD23 LEU A 21 3.555 10.705 -4.313 1.00 1.00 H new ATOM 356 N ASP A 22 7.542 8.934 -4.026 1.00 1.00 N ATOM 357 CA ASP A 22 8.615 9.691 -3.464 1.00 1.00 C ATOM 358 C ASP A 22 8.949 10.928 -4.224 1.00 1.00 C ATOM 359 O ASP A 22 9.023 12.015 -3.654 1.00 1.00 O ATOM 360 CB ASP A 22 9.843 8.785 -3.277 1.00 1.00 C ATOM 361 CG ASP A 22 10.996 9.434 -2.522 1.00 1.00 C ATOM 362 OD1 ASP A 22 11.791 10.172 -3.161 1.00 1.00 O ATOM 363 OD2 ASP A 22 11.121 9.215 -1.288 1.00 1.00 O ATOM 0 H ASP A 22 7.793 7.967 -4.230 1.00 1.00 H new ATOM 0 HA ASP A 22 8.277 10.050 -2.492 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.537 7.885 -2.744 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.199 8.469 -4.258 1.00 1.00 H new ATOM 368 N ASP A 23 9.119 10.819 -5.554 1.00 1.00 N ATOM 369 CA ASP A 23 9.529 11.832 -6.477 1.00 1.00 C ATOM 370 C ASP A 23 8.766 13.112 -6.467 1.00 1.00 C ATOM 371 O ASP A 23 9.366 14.185 -6.504 1.00 1.00 O ATOM 372 CB ASP A 23 9.503 11.189 -7.875 1.00 1.00 C ATOM 373 CG ASP A 23 10.148 12.021 -8.975 1.00 1.00 C ATOM 374 OD1 ASP A 23 9.495 12.948 -9.523 1.00 1.00 O ATOM 375 OD2 ASP A 23 11.319 11.720 -9.332 1.00 1.00 O ATOM 0 H ASP A 23 8.952 9.931 -6.028 1.00 1.00 H new ATOM 0 HA ASP A 23 10.522 12.157 -6.165 1.00 1.00 H new ATOM 0 HB2 ASP A 23 10.009 10.225 -7.825 1.00 1.00 H new ATOM 0 HB3 ASP A 23 8.467 10.992 -8.149 1.00 1.00 H new ATOM 380 N TRP A 24 7.423 13.050 -6.434 1.00 1.00 N ATOM 381 CA TRP A 24 6.494 14.120 -6.623 1.00 1.00 C ATOM 382 C TRP A 24 6.805 15.403 -5.931 1.00 1.00 C ATOM 383 O TRP A 24 7.064 16.419 -6.575 1.00 1.00 O ATOM 384 CB TRP A 24 5.082 13.623 -6.271 1.00 1.00 C ATOM 385 CG TRP A 24 3.941 14.594 -6.461 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.193 15.229 -5.512 1.00 1.00 C ATOM 387 CD2 TRP A 24 3.447 15.048 -7.735 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.274 16.053 -6.107 1.00 1.00 N ATOM 389 CE2 TRP A 24 2.405 15.944 -7.471 1.00 1.00 C ATOM 390 CE3 TRP A 24 3.818 14.757 -9.020 1.00 1.00 C ATOM 391 CZ2 TRP A 24 1.727 16.549 -8.495 1.00 1.00 C ATOM 392 CZ3 TRP A 24 3.134 15.374 -10.038 1.00 1.00 C ATOM 393 CH2 TRP A 24 2.105 16.250 -9.782 1.00 1.00 C ATOM 0 H TRP A 24 6.945 12.166 -6.258 1.00 1.00 H new ATOM 0 HA TRP A 24 6.570 14.389 -7.676 1.00 1.00 H new ATOM 0 HB2 TRP A 24 4.876 12.738 -6.873 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.086 13.306 -5.228 1.00 1.00 H new ATOM 0 HD1 TRP A 24 3.309 15.100 -4.446 1.00 1.00 H new ATOM 0 HE1 TRP A 24 1.604 16.648 -5.619 1.00 1.00 H new ATOM 0 HE3 TRP A 24 4.622 14.065 -9.226 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 0.920 17.240 -8.298 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 3.410 15.167 -11.062 1.00 1.00 H new ATOM 0 HH2 TRP A 24 1.584 16.712 -10.608 1.00 1.00 H new ATOM 404 N ASP A 25 6.792 15.396 -4.586 1.00 1.00 N ATOM 405 CA ASP A 25 7.188 16.465 -3.723 1.00 1.00 C ATOM 406 C ASP A 25 6.414 17.723 -3.916 1.00 1.00 C ATOM 407 O ASP A 25 6.904 18.732 -4.421 1.00 1.00 O ATOM 408 CB ASP A 25 8.717 16.620 -3.778 1.00 1.00 C ATOM 409 CG ASP A 25 9.288 17.459 -2.643 1.00 1.00 C ATOM 410 OD1 ASP A 25 8.600 17.704 -1.617 1.00 1.00 O ATOM 411 OD2 ASP A 25 10.468 17.876 -2.792 1.00 1.00 O ATOM 0 H ASP A 25 6.480 14.578 -4.063 1.00 1.00 H new ATOM 0 HA ASP A 25 6.925 16.202 -2.699 1.00 1.00 H new ATOM 0 HB2 ASP A 25 9.175 15.631 -3.753 1.00 1.00 H new ATOM 0 HB3 ASP A 25 8.993 17.075 -4.729 1.00 1.00 H new ATOM 416 N GLY A 26 5.130 17.695 -3.515 1.00 1.00 N ATOM 417 CA GLY A 26 4.223 18.781 -3.713 1.00 1.00 C ATOM 418 C GLY A 26 4.042 19.629 -2.501 1.00 1.00 C ATOM 419 O GLY A 26 4.982 19.999 -1.800 1.00 1.00 O ATOM 0 H GLY A 26 4.712 16.895 -3.040 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.585 19.403 -4.532 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.254 18.385 -4.018 1.00 1.00 H new ATOM 423 N ASP A 27 2.769 19.947 -2.202 1.00 1.00 N ATOM 424 CA ASP A 27 2.353 20.653 -1.030 1.00 1.00 C ATOM 425 C ASP A 27 2.467 19.762 0.158 1.00 1.00 C ATOM 426 O ASP A 27 2.799 20.184 1.265 1.00 1.00 O ATOM 427 CB ASP A 27 0.893 21.094 -1.232 1.00 1.00 C ATOM 428 CG ASP A 27 0.781 22.610 -1.321 1.00 1.00 C ATOM 429 OD1 ASP A 27 1.313 23.216 -2.290 1.00 1.00 O ATOM 430 OD2 ASP A 27 0.139 23.206 -0.415 1.00 1.00 O ATOM 0 H ASP A 27 1.989 19.698 -2.811 1.00 1.00 H new ATOM 0 HA ASP A 27 2.984 21.526 -0.864 1.00 1.00 H new ATOM 0 HB2 ASP A 27 0.497 20.644 -2.142 1.00 1.00 H new ATOM 0 HB3 ASP A 27 0.283 20.730 -0.405 1.00 1.00 H new ATOM 435 N SER A 28 2.205 18.458 -0.047 1.00 1.00 N ATOM 436 CA SER A 28 2.264 17.462 0.978 1.00 1.00 C ATOM 437 C SER A 28 3.614 16.848 1.117 1.00 1.00 C ATOM 438 O SER A 28 4.378 16.692 0.166 1.00 1.00 O ATOM 439 CB SER A 28 1.259 16.324 0.730 1.00 1.00 C ATOM 440 OG SER A 28 -0.069 16.762 0.978 1.00 1.00 O ATOM 0 H SER A 28 1.943 18.084 -0.959 1.00 1.00 H new ATOM 0 HA SER A 28 2.016 17.995 1.896 1.00 1.00 H new ATOM 0 HB2 SER A 28 1.345 15.974 -0.299 1.00 1.00 H new ATOM 0 HB3 SER A 28 1.494 15.478 1.375 1.00 1.00 H new ATOM 0 HG SER A 28 -0.693 16.024 0.813 1.00 1.00 H new ATOM 446 N ASP A 29 3.957 16.441 2.351 1.00 1.00 N ATOM 447 CA ASP A 29 5.112 15.658 2.670 1.00 1.00 C ATOM 448 C ASP A 29 4.883 14.233 2.302 1.00 1.00 C ATOM 449 O ASP A 29 3.803 13.830 1.870 1.00 1.00 O ATOM 450 CB ASP A 29 5.462 15.872 4.152 1.00 1.00 C ATOM 451 CG ASP A 29 6.902 15.562 4.536 1.00 1.00 C ATOM 452 OD1 ASP A 29 7.693 15.059 3.694 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.257 15.809 5.719 1.00 1.00 O ATOM 0 H ASP A 29 3.398 16.671 3.173 1.00 1.00 H new ATOM 0 HA ASP A 29 5.976 15.977 2.088 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.250 16.909 4.411 1.00 1.00 H new ATOM 0 HB3 ASP A 29 4.801 15.251 4.757 1.00 1.00 H new ATOM 458 N ILE A 30 5.941 13.409 2.409 1.00 1.00 N ATOM 459 CA ILE A 30 6.028 12.106 1.827 1.00 1.00 C ATOM 460 C ILE A 30 7.035 11.319 2.593 1.00 1.00 C ATOM 461 O ILE A 30 8.229 11.610 2.642 1.00 1.00 O ATOM 462 CB ILE A 30 6.347 12.162 0.362 1.00 1.00 C ATOM 463 CG1 ILE A 30 6.534 10.777 -0.280 1.00 1.00 C ATOM 464 CG2 ILE A 30 7.545 13.084 0.082 1.00 1.00 C ATOM 465 CD1 ILE A 30 5.315 9.863 -0.173 1.00 1.00 C ATOM 0 H ILE A 30 6.780 13.666 2.929 1.00 1.00 H new ATOM 0 HA ILE A 30 5.058 11.613 1.892 1.00 1.00 H new ATOM 0 HB ILE A 30 5.469 12.593 -0.119 1.00 1.00 H new ATOM 0 HG12 ILE A 30 6.783 10.909 -1.333 1.00 1.00 H new ATOM 0 HG13 ILE A 30 7.385 10.284 0.190 1.00 1.00 H new ATOM 0 HG21 ILE A 30 7.748 13.101 -0.989 1.00 1.00 H new ATOM 0 HG22 ILE A 30 7.315 14.093 0.424 1.00 1.00 H new ATOM 0 HG23 ILE A 30 8.422 12.712 0.612 1.00 1.00 H new ATOM 0 HD11 ILE A 30 5.533 8.908 -0.651 1.00 1.00 H new ATOM 0 HD12 ILE A 30 5.076 9.697 0.877 1.00 1.00 H new ATOM 0 HD13 ILE A 30 4.465 10.331 -0.669 1.00 1.00 H new ATOM 477 N ASP A 31 6.563 10.255 3.268 1.00 1.00 N ATOM 478 CA ASP A 31 7.415 9.289 3.892 1.00 1.00 C ATOM 479 C ASP A 31 6.955 7.924 3.509 1.00 1.00 C ATOM 480 O ASP A 31 5.943 7.405 3.980 1.00 1.00 O ATOM 481 CB ASP A 31 7.432 9.523 5.411 1.00 1.00 C ATOM 482 CG ASP A 31 8.753 9.131 6.057 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.824 9.156 5.393 1.00 1.00 O ATOM 484 OD2 ASP A 31 8.748 8.888 7.294 1.00 1.00 O ATOM 0 H ASP A 31 5.568 10.061 3.383 1.00 1.00 H new ATOM 0 HA ASP A 31 8.445 9.391 3.551 1.00 1.00 H new ATOM 0 HB2 ASP A 31 7.233 10.575 5.613 1.00 1.00 H new ATOM 0 HB3 ASP A 31 6.625 8.952 5.870 1.00 1.00 H new ATOM 489 N CYS A 32 7.664 7.287 2.560 1.00 1.00 N ATOM 490 CA CYS A 32 7.357 5.987 2.048 1.00 1.00 C ATOM 491 C CYS A 32 8.026 4.913 2.836 1.00 1.00 C ATOM 492 O CYS A 32 9.235 4.915 3.062 1.00 1.00 O ATOM 493 CB CYS A 32 7.727 6.053 0.557 1.00 1.00 C ATOM 494 SG CYS A 32 9.464 6.436 0.182 1.00 1.00 S ATOM 0 H CYS A 32 8.492 7.699 2.129 1.00 1.00 H new ATOM 0 HA CYS A 32 6.305 5.718 2.145 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.480 5.095 0.099 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.099 6.805 0.080 1.00 1.00 H new ATOM 0 HG CYS A 32 9.635 6.458 -1.106 1.00 1.00 H new ATOM 500 N GLU A 33 7.244 3.950 3.357 1.00 1.00 N ATOM 501 CA GLU A 33 7.718 2.884 4.183 1.00 1.00 C ATOM 502 C GLU A 33 8.004 1.673 3.364 1.00 1.00 C ATOM 503 O GLU A 33 7.203 1.287 2.515 1.00 1.00 O ATOM 504 CB GLU A 33 6.679 2.453 5.233 1.00 1.00 C ATOM 505 CG GLU A 33 6.194 3.548 6.184 1.00 1.00 C ATOM 506 CD GLU A 33 7.070 3.739 7.414 1.00 1.00 C ATOM 507 OE1 GLU A 33 8.169 4.348 7.318 1.00 1.00 O ATOM 508 OE2 GLU A 33 6.649 3.279 8.510 1.00 1.00 O ATOM 0 H GLU A 33 6.238 3.913 3.195 1.00 1.00 H new ATOM 0 HA GLU A 33 8.614 3.266 4.673 1.00 1.00 H new ATOM 0 HB2 GLU A 33 5.814 2.042 4.712 1.00 1.00 H new ATOM 0 HB3 GLU A 33 7.106 1.646 5.828 1.00 1.00 H new ATOM 0 HG2 GLU A 33 6.142 4.490 5.639 1.00 1.00 H new ATOM 0 HG3 GLU A 33 5.180 3.310 6.507 1.00 1.00 H new ATOM 515 N ILE A 34 9.153 1.017 3.606 1.00 1.00 N ATOM 516 CA ILE A 34 9.652 -0.124 2.902 1.00 1.00 C ATOM 517 C ILE A 34 10.055 -1.135 3.922 1.00 1.00 C ATOM 518 O ILE A 34 10.960 -0.936 4.729 1.00 1.00 O ATOM 519 CB ILE A 34 10.798 0.249 2.009 1.00 1.00 C ATOM 520 CG1 ILE A 34 11.644 -0.935 1.509 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.716 1.307 2.643 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.902 -1.930 0.618 1.00 1.00 C ATOM 0 H ILE A 34 9.782 1.309 4.354 1.00 1.00 H new ATOM 0 HA ILE A 34 8.883 -0.538 2.250 1.00 1.00 H new ATOM 0 HB ILE A 34 10.307 0.672 1.133 1.00 1.00 H new ATOM 0 HG12 ILE A 34 12.499 -0.544 0.957 1.00 1.00 H new ATOM 0 HG13 ILE A 34 12.040 -1.469 2.373 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.529 1.542 1.956 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.142 2.211 2.848 1.00 1.00 H new ATOM 0 HG23 ILE A 34 12.128 0.920 3.575 1.00 1.00 H new ATOM 0 HD11 ILE A 34 11.582 -2.727 0.317 1.00 1.00 H new ATOM 0 HD12 ILE A 34 10.064 -2.357 1.169 1.00 1.00 H new ATOM 0 HD13 ILE A 34 10.530 -1.417 -0.269 1.00 1.00 H new ATOM 534 N ASN A 35 9.359 -2.285 3.913 1.00 1.00 N ATOM 535 CA ASN A 35 9.738 -3.403 4.721 1.00 1.00 C ATOM 536 C ASN A 35 9.401 -4.694 4.055 1.00 1.00 C ATOM 537 O ASN A 35 8.398 -5.331 4.373 1.00 1.00 O ATOM 538 CB ASN A 35 9.125 -3.281 6.126 1.00 1.00 C ATOM 539 CG ASN A 35 10.013 -3.899 7.197 1.00 1.00 C ATOM 540 OD1 ASN A 35 10.605 -4.965 7.035 1.00 1.00 O ATOM 541 ND2 ASN A 35 10.123 -3.195 8.356 1.00 1.00 N ATOM 0 H ASN A 35 8.528 -2.442 3.342 1.00 1.00 H new ATOM 0 HA ASN A 35 10.821 -3.397 4.840 1.00 1.00 H new ATOM 0 HB2 ASN A 35 8.958 -2.229 6.358 1.00 1.00 H new ATOM 0 HB3 ASN A 35 8.150 -3.769 6.139 1.00 1.00 H new ATOM 0 HD21 ASN A 35 10.706 -3.549 9.114 1.00 1.00 H new ATOM 0 HD22 ASN A 35 9.622 -2.313 8.467 1.00 1.00 H new ATOM 548 N GLY A 36 10.259 -5.150 3.125 1.00 1.00 N ATOM 549 CA GLY A 36 10.274 -6.454 2.541 1.00 1.00 C ATOM 550 C GLY A 36 9.148 -6.837 1.643 1.00 1.00 C ATOM 551 O GLY A 36 9.308 -7.016 0.436 1.00 1.00 O ATOM 0 H GLY A 36 11.001 -4.557 2.753 1.00 1.00 H new ATOM 0 HA2 GLY A 36 11.200 -6.555 1.975 1.00 1.00 H new ATOM 0 HA3 GLY A 36 10.315 -7.181 3.352 1.00 1.00 H new ATOM 555 N GLY A 37 7.962 -7.032 2.246 1.00 1.00 N ATOM 556 CA GLY A 37 6.739 -7.397 1.602 1.00 1.00 C ATOM 557 C GLY A 37 5.672 -6.376 1.798 1.00 1.00 C ATOM 558 O GLY A 37 4.573 -6.527 1.266 1.00 1.00 O ATOM 0 H GLY A 37 7.851 -6.927 3.255 1.00 1.00 H new ATOM 0 HA2 GLY A 37 6.918 -7.532 0.535 1.00 1.00 H new ATOM 0 HA3 GLY A 37 6.398 -8.356 1.992 1.00 1.00 H new ATOM 562 N VAL A 38 5.938 -5.309 2.573 1.00 1.00 N ATOM 563 CA VAL A 38 4.985 -4.287 2.876 1.00 1.00 C ATOM 564 C VAL A 38 5.498 -2.969 2.411 1.00 1.00 C ATOM 565 O VAL A 38 6.571 -2.529 2.818 1.00 1.00 O ATOM 566 CB VAL A 38 4.688 -4.190 4.342 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.517 -3.224 4.594 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.319 -5.571 4.914 1.00 1.00 C ATOM 0 H VAL A 38 6.849 -5.153 3.004 1.00 1.00 H new ATOM 0 HA VAL A 38 4.062 -4.554 2.361 1.00 1.00 H new ATOM 0 HB VAL A 38 5.585 -3.817 4.837 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.316 -3.167 5.664 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.776 -2.233 4.220 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.629 -3.587 4.077 1.00 1.00 H new ATOM 0 HG21 VAL A 38 4.107 -5.479 5.979 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.437 -5.954 4.400 1.00 1.00 H new ATOM 0 HG23 VAL A 38 5.151 -6.260 4.768 1.00 1.00 H new ATOM 578 N LEU A 39 4.748 -2.247 1.559 1.00 1.00 N ATOM 579 CA LEU A 39 4.957 -0.852 1.319 1.00 1.00 C ATOM 580 C LEU A 39 3.821 -0.091 1.907 1.00 1.00 C ATOM 581 O LEU A 39 2.654 -0.454 1.765 1.00 1.00 O ATOM 582 CB LEU A 39 5.022 -0.491 -0.175 1.00 1.00 C ATOM 583 CG LEU A 39 6.246 -1.026 -0.940 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.239 -0.448 -2.365 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.598 -0.701 -0.283 1.00 1.00 C ATOM 0 H LEU A 39 3.976 -2.643 1.023 1.00 1.00 H new ATOM 0 HA LEU A 39 5.916 -0.599 1.771 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.121 -0.867 -0.660 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.005 0.595 -0.268 1.00 1.00 H new ATOM 0 HG LEU A 39 6.154 -2.112 -0.937 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.103 -0.822 -2.914 1.00 1.00 H new ATOM 0 HD12 LEU A 39 5.325 -0.751 -2.876 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.283 0.640 -2.317 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.405 -1.115 -0.888 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.717 0.380 -0.210 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.632 -1.138 0.715 1.00 1.00 H new ATOM 597 N THR A 40 4.136 1.016 2.604 1.00 1.00 N ATOM 598 CA THR A 40 3.122 1.800 3.240 1.00 1.00 C ATOM 599 C THR A 40 3.444 3.232 2.979 1.00 1.00 C ATOM 600 O THR A 40 4.397 3.795 3.514 1.00 1.00 O ATOM 601 CB THR A 40 2.969 1.567 4.713 1.00 1.00 C ATOM 602 OG1 THR A 40 3.560 0.347 5.139 1.00 1.00 O ATOM 603 CG2 THR A 40 1.471 1.454 5.049 1.00 1.00 C ATOM 0 H THR A 40 5.086 1.367 2.727 1.00 1.00 H new ATOM 0 HA THR A 40 2.163 1.500 2.817 1.00 1.00 H new ATOM 0 HB THR A 40 3.459 2.403 5.213 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.435 0.243 6.105 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.350 1.284 6.119 1.00 1.00 H new ATOM 0 HG22 THR A 40 0.965 2.377 4.768 1.00 1.00 H new ATOM 0 HG23 THR A 40 1.036 0.620 4.498 1.00 1.00 H new ATOM 611 N ILE A 41 2.677 3.913 2.108 1.00 1.00 N ATOM 612 CA ILE A 41 3.075 5.197 1.624 1.00 1.00 C ATOM 613 C ILE A 41 2.330 6.243 2.379 1.00 1.00 C ATOM 614 O ILE A 41 1.104 6.304 2.300 1.00 1.00 O ATOM 615 CB ILE A 41 2.882 5.378 0.148 1.00 1.00 C ATOM 616 CG1 ILE A 41 3.230 4.107 -0.646 1.00 1.00 C ATOM 617 CG2 ILE A 41 3.762 6.562 -0.290 1.00 1.00 C ATOM 618 CD1 ILE A 41 2.837 4.219 -2.118 1.00 1.00 C ATOM 0 H ILE A 41 1.787 3.576 1.741 1.00 1.00 H new ATOM 0 HA ILE A 41 4.149 5.287 1.788 1.00 1.00 H new ATOM 0 HB ILE A 41 1.831 5.579 -0.060 1.00 1.00 H new ATOM 0 HG12 ILE A 41 4.301 3.916 -0.571 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.722 3.252 -0.200 1.00 1.00 H new ATOM 0 HG21 ILE A 41 3.647 6.724 -1.362 1.00 1.00 H new ATOM 0 HG22 ILE A 41 3.457 7.460 0.247 1.00 1.00 H new ATOM 0 HG23 ILE A 41 4.806 6.342 -0.066 1.00 1.00 H new ATOM 0 HD11 ILE A 41 3.103 3.298 -2.637 1.00 1.00 H new ATOM 0 HD12 ILE A 41 1.762 4.382 -2.196 1.00 1.00 H new ATOM 0 HD13 ILE A 41 3.365 5.057 -2.573 1.00 1.00 H new ATOM 630 N THR A 42 3.030 7.073 3.174 1.00 1.00 N ATOM 631 CA THR A 42 2.408 7.926 4.139 1.00 1.00 C ATOM 632 C THR A 42 2.625 9.362 3.810 1.00 1.00 C ATOM 633 O THR A 42 3.739 9.792 3.515 1.00 1.00 O ATOM 634 CB THR A 42 2.925 7.690 5.527 1.00 1.00 C ATOM 635 OG1 THR A 42 2.888 6.307 5.848 1.00 1.00 O ATOM 636 CG2 THR A 42 2.055 8.402 6.576 1.00 1.00 C ATOM 0 H THR A 42 4.046 7.153 3.146 1.00 1.00 H new ATOM 0 HA THR A 42 1.346 7.684 4.105 1.00 1.00 H new ATOM 0 HB THR A 42 3.945 8.075 5.546 1.00 1.00 H new ATOM 0 HG1 THR A 42 3.231 6.173 6.756 1.00 1.00 H new ATOM 0 HG21 THR A 42 2.456 8.211 7.571 1.00 1.00 H new ATOM 0 HG22 THR A 42 2.057 9.475 6.383 1.00 1.00 H new ATOM 0 HG23 THR A 42 1.034 8.025 6.518 1.00 1.00 H new ATOM 644 N PHE A 43 1.549 10.170 3.838 1.00 1.00 N ATOM 645 CA PHE A 43 1.586 11.580 3.607 1.00 1.00 C ATOM 646 C PHE A 43 1.078 12.361 4.769 1.00 1.00 C ATOM 647 O PHE A 43 0.593 11.820 5.761 1.00 1.00 O ATOM 648 CB PHE A 43 1.006 12.008 2.248 1.00 1.00 C ATOM 649 CG PHE A 43 0.003 11.067 1.672 1.00 1.00 C ATOM 650 CD1 PHE A 43 0.414 9.966 0.959 1.00 1.00 C ATOM 651 CD2 PHE A 43 -1.344 11.311 1.802 1.00 1.00 C ATOM 652 CE1 PHE A 43 -0.501 9.106 0.400 1.00 1.00 C ATOM 653 CE2 PHE A 43 -2.266 10.462 1.236 1.00 1.00 C ATOM 654 CZ PHE A 43 -1.846 9.355 0.535 1.00 1.00 C ATOM 0 H PHE A 43 0.610 9.823 4.031 1.00 1.00 H new ATOM 0 HA PHE A 43 2.641 11.841 3.524 1.00 1.00 H new ATOM 0 HB2 PHE A 43 0.542 12.988 2.359 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.826 12.122 1.539 1.00 1.00 H new ATOM 0 HD1 PHE A 43 1.470 9.774 0.836 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -1.681 12.177 2.353 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -0.164 8.236 -0.144 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -3.322 10.665 1.342 1.00 1.00 H new ATOM 0 HZ PHE A 43 -2.569 8.685 0.093 1.00 1.00 H new ATOM 664 N GLU A 44 1.207 13.698 4.705 1.00 1.00 N ATOM 665 CA GLU A 44 1.179 14.637 5.784 1.00 1.00 C ATOM 666 C GLU A 44 -0.031 14.678 6.652 1.00 1.00 C ATOM 667 O GLU A 44 0.048 14.880 7.863 1.00 1.00 O ATOM 668 CB GLU A 44 1.495 16.009 5.166 1.00 1.00 C ATOM 669 CG GLU A 44 0.359 16.814 4.530 1.00 1.00 C ATOM 670 CD GLU A 44 -0.010 18.066 5.313 1.00 1.00 C ATOM 671 OE1 GLU A 44 -0.248 17.977 6.547 1.00 1.00 O ATOM 672 OE2 GLU A 44 -0.062 19.165 4.699 1.00 1.00 O ATOM 0 H GLU A 44 1.344 14.165 3.809 1.00 1.00 H new ATOM 0 HA GLU A 44 1.921 14.304 6.509 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.940 16.627 5.946 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.259 15.859 4.403 1.00 1.00 H new ATOM 0 HG2 GLU A 44 0.649 17.100 3.519 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -0.521 16.178 4.442 1.00 1.00 H new ATOM 679 N ASN A 45 -1.210 14.412 6.061 1.00 1.00 N ATOM 680 CA ASN A 45 -2.483 14.404 6.712 1.00 1.00 C ATOM 681 C ASN A 45 -2.650 13.271 7.665 1.00 1.00 C ATOM 682 O ASN A 45 -3.586 13.226 8.462 1.00 1.00 O ATOM 683 CB ASN A 45 -3.551 14.341 5.609 1.00 1.00 C ATOM 684 CG ASN A 45 -4.904 14.943 5.968 1.00 1.00 C ATOM 685 OD1 ASN A 45 -5.325 15.941 5.385 1.00 1.00 O ATOM 686 ND2 ASN A 45 -5.655 14.311 6.910 1.00 1.00 N ATOM 0 H ASN A 45 -1.277 14.189 5.068 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.577 15.306 7.317 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.168 14.854 4.727 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -3.700 13.298 5.331 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -6.583 14.664 7.143 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.290 13.485 7.383 1.00 1.00 H new ATOM 693 N GLY A 46 -1.767 12.258 7.611 1.00 1.00 N ATOM 694 CA GLY A 46 -1.952 11.021 8.303 1.00 1.00 C ATOM 695 C GLY A 46 -2.846 10.138 7.500 1.00 1.00 C ATOM 696 O GLY A 46 -3.727 9.453 8.019 1.00 1.00 O ATOM 0 H GLY A 46 -0.902 12.300 7.072 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -0.990 10.534 8.465 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.387 11.202 9.286 1.00 1.00 H new ATOM 700 N SER A 47 -2.661 10.185 6.168 1.00 1.00 N ATOM 701 CA SER A 47 -3.396 9.417 5.210 1.00 1.00 C ATOM 702 C SER A 47 -2.391 8.602 4.474 1.00 1.00 C ATOM 703 O SER A 47 -1.228 8.991 4.377 1.00 1.00 O ATOM 704 CB SER A 47 -4.148 10.288 4.191 1.00 1.00 C ATOM 705 OG SER A 47 -5.198 11.034 4.789 1.00 1.00 O ATOM 0 H SER A 47 -1.962 10.790 5.737 1.00 1.00 H new ATOM 0 HA SER A 47 -4.145 8.822 5.732 1.00 1.00 H new ATOM 0 HB2 SER A 47 -3.446 10.972 3.713 1.00 1.00 H new ATOM 0 HB3 SER A 47 -4.558 9.652 3.406 1.00 1.00 H new ATOM 0 HG SER A 47 -5.746 11.447 4.089 1.00 1.00 H new ATOM 711 N LYS A 48 -2.789 7.423 3.962 1.00 1.00 N ATOM 712 CA LYS A 48 -1.812 6.473 3.526 1.00 1.00 C ATOM 713 C LYS A 48 -2.349 5.436 2.602 1.00 1.00 C ATOM 714 O LYS A 48 -3.557 5.262 2.445 1.00 1.00 O ATOM 715 CB LYS A 48 -1.143 5.795 4.733 1.00 1.00 C ATOM 716 CG LYS A 48 -2.119 5.141 5.714 1.00 1.00 C ATOM 717 CD LYS A 48 -1.437 4.720 7.017 1.00 1.00 C ATOM 718 CE LYS A 48 -2.433 4.222 8.066 1.00 1.00 C ATOM 719 NZ LYS A 48 -1.762 4.004 9.366 1.00 1.00 N ATOM 0 H LYS A 48 -3.760 7.132 3.851 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.077 7.045 2.959 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -0.450 5.036 4.370 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -0.551 6.537 5.269 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.927 5.837 5.938 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -2.572 4.268 5.245 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -0.713 3.933 6.806 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -0.881 5.565 7.422 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -3.237 4.948 8.184 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -2.890 3.292 7.727 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -2.456 3.666 10.063 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -1.010 3.294 9.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -1.347 4.898 9.697 1.00 1.00 H new ATOM 733 N ILE A 49 -1.423 4.719 1.940 1.00 1.00 N ATOM 734 CA ILE A 49 -1.647 3.611 1.066 1.00 1.00 C ATOM 735 C ILE A 49 -1.073 2.418 1.749 1.00 1.00 C ATOM 736 O ILE A 49 0.037 2.503 2.275 1.00 1.00 O ATOM 737 CB ILE A 49 -0.939 3.759 -0.248 1.00 1.00 C ATOM 738 CG1 ILE A 49 -0.906 5.199 -0.787 1.00 1.00 C ATOM 739 CG2 ILE A 49 -1.511 2.777 -1.284 1.00 1.00 C ATOM 740 CD1 ILE A 49 -2.254 5.842 -1.110 1.00 1.00 C ATOM 0 H ILE A 49 -0.430 4.936 2.026 1.00 1.00 H new ATOM 0 HA ILE A 49 -2.715 3.534 0.862 1.00 1.00 H new ATOM 0 HB ILE A 49 0.105 3.506 -0.060 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -0.397 5.825 -0.054 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -0.298 5.210 -1.692 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -0.985 2.899 -2.231 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.382 1.755 -0.927 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -2.572 2.979 -1.430 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -2.095 6.855 -1.481 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -2.765 5.253 -1.872 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -2.865 5.878 -0.208 1.00 1.00 H new ATOM 752 N ILE A 50 -1.772 1.269 1.777 1.00 1.00 N ATOM 753 CA ILE A 50 -1.326 0.063 2.402 1.00 1.00 C ATOM 754 C ILE A 50 -1.196 -0.995 1.362 1.00 1.00 C ATOM 755 O ILE A 50 -2.180 -1.427 0.764 1.00 1.00 O ATOM 756 CB ILE A 50 -2.266 -0.490 3.431 1.00 1.00 C ATOM 757 CG1 ILE A 50 -3.031 0.576 4.235 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.533 -1.490 4.340 1.00 1.00 C ATOM 759 CD1 ILE A 50 -2.189 1.380 5.224 1.00 1.00 C ATOM 0 H ILE A 50 -2.691 1.177 1.344 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.390 0.322 2.896 1.00 1.00 H new ATOM 0 HB ILE A 50 -3.045 -1.018 2.882 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -3.499 1.268 3.535 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -3.835 0.085 4.783 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -2.227 -1.884 5.082 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -1.142 -2.310 3.738 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.709 -0.986 4.845 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -2.823 2.103 5.738 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.742 0.705 5.954 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.400 1.907 4.686 1.00 1.00 H new ATOM 771 N ILE A 51 0.036 -1.470 1.097 1.00 1.00 N ATOM 772 CA ILE A 51 0.313 -2.437 0.082 1.00 1.00 C ATOM 773 C ILE A 51 1.095 -3.587 0.618 1.00 1.00 C ATOM 774 O ILE A 51 2.136 -3.449 1.258 1.00 1.00 O ATOM 775 CB ILE A 51 1.018 -1.856 -1.109 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.316 -0.532 -1.452 1.00 1.00 C ATOM 777 CG2 ILE A 51 0.967 -2.860 -2.273 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.723 0.045 -2.807 1.00 1.00 C ATOM 0 H ILE A 51 0.866 -1.170 1.608 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.661 -2.792 -0.254 1.00 1.00 H new ATOM 0 HB ILE A 51 2.071 -1.660 -0.904 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.762 -0.690 -1.443 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.538 0.199 -0.674 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.479 -2.440 -3.139 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.458 -3.787 -1.976 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -0.072 -3.066 -2.530 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.188 0.978 -2.981 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.796 0.235 -2.814 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.476 -0.667 -3.595 1.00 1.00 H new ATOM 790 N ASN A 52 0.582 -4.801 0.352 1.00 1.00 N ATOM 791 CA ASN A 52 1.115 -6.058 0.777 1.00 1.00 C ATOM 792 C ASN A 52 0.471 -7.023 -0.158 1.00 1.00 C ATOM 793 O ASN A 52 -0.349 -6.658 -0.998 1.00 1.00 O ATOM 794 CB ASN A 52 0.835 -6.322 2.267 1.00 1.00 C ATOM 795 CG ASN A 52 1.283 -7.672 2.809 1.00 1.00 C ATOM 796 OD1 ASN A 52 0.495 -8.460 3.328 1.00 1.00 O ATOM 797 ND2 ASN A 52 2.603 -7.970 2.664 1.00 1.00 N ATOM 0 H ASN A 52 -0.268 -4.911 -0.201 1.00 1.00 H new ATOM 0 HA ASN A 52 2.202 -6.124 0.729 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.322 -5.541 2.850 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -0.237 -6.224 2.436 1.00 1.00 H new ATOM 0 HD21 ASN A 52 2.962 -8.867 2.990 1.00 1.00 H new ATOM 0 HD22 ASN A 52 3.233 -7.296 2.229 1.00 1.00 H new ATOM 804 N ARG A 53 0.876 -8.303 -0.074 1.00 1.00 N ATOM 805 CA ARG A 53 0.530 -9.307 -1.034 1.00 1.00 C ATOM 806 C ARG A 53 0.295 -10.591 -0.317 1.00 1.00 C ATOM 807 O ARG A 53 1.021 -10.956 0.606 1.00 1.00 O ATOM 808 CB ARG A 53 1.717 -9.354 -2.011 1.00 1.00 C ATOM 809 CG ARG A 53 3.084 -9.621 -1.379 1.00 1.00 C ATOM 810 CD ARG A 53 4.286 -9.516 -2.320 1.00 1.00 C ATOM 811 NE ARG A 53 5.384 -10.272 -1.656 1.00 1.00 N ATOM 812 CZ ARG A 53 6.710 -9.948 -1.629 1.00 1.00 C ATOM 813 NH1 ARG A 53 7.222 -8.806 -2.175 1.00 1.00 N ATOM 814 NH2 ARG A 53 7.602 -10.782 -1.019 1.00 1.00 N ATOM 0 H ARG A 53 1.462 -8.651 0.685 1.00 1.00 H new ATOM 0 HA ARG A 53 -0.386 -9.102 -1.588 1.00 1.00 H new ATOM 0 HB2 ARG A 53 1.523 -10.128 -2.753 1.00 1.00 H new ATOM 0 HB3 ARG A 53 1.763 -8.405 -2.545 1.00 1.00 H new ATOM 0 HG2 ARG A 53 3.227 -8.918 -0.558 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.073 -10.621 -0.945 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.056 -9.938 -3.298 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.568 -8.475 -2.480 1.00 1.00 H new ATOM 0 HE ARG A 53 5.116 -11.126 -1.167 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.603 -8.139 -2.635 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.224 -8.620 -2.122 1.00 1.00 H new ATOM 0 HH21 ARG A 53 7.278 -11.646 -0.584 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.593 -10.541 -0.998 1.00 1.00 H new ATOM 828 N GLN A 54 -0.790 -11.299 -0.680 1.00 1.00 N ATOM 829 CA GLN A 54 -1.255 -12.455 0.024 1.00 1.00 C ATOM 830 C GLN A 54 -1.680 -13.446 -1.004 1.00 1.00 C ATOM 831 O GLN A 54 -2.862 -13.745 -1.171 1.00 1.00 O ATOM 832 CB GLN A 54 -2.448 -12.024 0.893 1.00 1.00 C ATOM 833 CG GLN A 54 -2.072 -11.324 2.201 1.00 1.00 C ATOM 834 CD GLN A 54 -1.342 -12.288 3.127 1.00 1.00 C ATOM 835 OE1 GLN A 54 -1.934 -13.221 3.665 1.00 1.00 O ATOM 836 NE2 GLN A 54 -0.008 -12.079 3.289 1.00 1.00 N ATOM 0 H GLN A 54 -1.362 -11.059 -1.490 1.00 1.00 H new ATOM 0 HA GLN A 54 -0.490 -12.894 0.665 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -3.082 -11.356 0.309 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -3.045 -12.905 1.128 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -1.439 -10.462 1.991 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -2.970 -10.948 2.691 1.00 1.00 H new ATOM 0 HE21 GLN A 54 0.445 -11.292 2.824 1.00 1.00 H new ATOM 0 HE22 GLN A 54 0.539 -12.709 3.875 1.00 1.00 H new ATOM 845 N GLU A 55 -0.710 -13.968 -1.777 1.00 1.00 N ATOM 846 CA GLU A 55 -0.955 -14.544 -3.063 1.00 1.00 C ATOM 847 C GLU A 55 -1.670 -15.850 -3.100 1.00 1.00 C ATOM 848 O GLU A 55 -1.245 -16.812 -2.461 1.00 1.00 O ATOM 849 CB GLU A 55 0.331 -14.580 -3.905 1.00 1.00 C ATOM 850 CG GLU A 55 1.667 -14.822 -3.196 1.00 1.00 C ATOM 851 CD GLU A 55 1.949 -16.242 -2.726 1.00 1.00 C ATOM 852 OE1 GLU A 55 1.759 -17.195 -3.529 1.00 1.00 O ATOM 853 OE2 GLU A 55 2.431 -16.407 -1.575 1.00 1.00 O ATOM 0 H GLU A 55 0.271 -13.990 -1.500 1.00 1.00 H new ATOM 0 HA GLU A 55 -1.678 -13.862 -3.511 1.00 1.00 H new ATOM 0 HB2 GLU A 55 0.211 -15.358 -4.659 1.00 1.00 H new ATOM 0 HB3 GLU A 55 0.405 -13.631 -4.436 1.00 1.00 H new ATOM 0 HG2 GLU A 55 2.469 -14.522 -3.871 1.00 1.00 H new ATOM 0 HG3 GLU A 55 1.716 -14.162 -2.330 1.00 1.00 H new ATOM 860 N PRO A 56 -2.735 -16.009 -3.826 1.00 1.00 N ATOM 861 CA PRO A 56 -3.095 -17.282 -4.381 1.00 1.00 C ATOM 862 C PRO A 56 -2.236 -17.579 -5.564 1.00 1.00 C ATOM 863 O PRO A 56 -1.588 -18.624 -5.585 1.00 1.00 O ATOM 864 CB PRO A 56 -4.576 -17.156 -4.732 1.00 1.00 C ATOM 865 CG PRO A 56 -4.817 -15.653 -4.941 1.00 1.00 C ATOM 866 CD PRO A 56 -3.770 -15.006 -4.020 1.00 1.00 C ATOM 0 HA PRO A 56 -2.941 -18.114 -3.694 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -4.816 -17.722 -5.632 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -5.204 -17.548 -3.932 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -4.675 -15.362 -5.982 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -5.831 -15.364 -4.665 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -3.359 -14.103 -4.470 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -4.214 -14.714 -3.068 1.00 1.00 H new ATOM 874 N LEU A 57 -2.206 -16.682 -6.566 1.00 1.00 N ATOM 875 CA LEU A 57 -1.474 -16.839 -7.783 1.00 1.00 C ATOM 876 C LEU A 57 -0.424 -15.787 -7.865 1.00 1.00 C ATOM 877 O LEU A 57 0.691 -15.923 -7.364 1.00 1.00 O ATOM 878 CB LEU A 57 -2.386 -16.769 -9.019 1.00 1.00 C ATOM 879 CG LEU A 57 -3.569 -17.749 -8.947 1.00 1.00 C ATOM 880 CD1 LEU A 57 -4.569 -17.490 -10.087 1.00 1.00 C ATOM 881 CD2 LEU A 57 -3.136 -19.223 -8.905 1.00 1.00 C ATOM 0 H LEU A 57 -2.720 -15.802 -6.524 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.015 -17.828 -7.775 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.768 -15.754 -9.125 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -1.797 -16.983 -9.911 1.00 1.00 H new ATOM 0 HG LEU A 57 -4.069 -17.557 -7.998 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -5.396 -18.196 -10.013 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -4.953 -16.473 -10.010 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -4.068 -17.617 -11.047 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.019 -19.860 -8.855 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -2.567 -19.461 -9.804 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -2.514 -19.395 -8.026 1.00 1.00 H new ATOM 893 N HIS A 58 -0.764 -14.661 -8.520 1.00 1.00 N ATOM 894 CA HIS A 58 0.033 -13.482 -8.663 1.00 1.00 C ATOM 895 C HIS A 58 -0.853 -12.327 -8.340 1.00 1.00 C ATOM 896 O HIS A 58 -1.382 -11.698 -9.255 1.00 1.00 O ATOM 897 CB HIS A 58 0.493 -13.285 -10.117 1.00 1.00 C ATOM 898 CG HIS A 58 1.489 -14.290 -10.615 1.00 1.00 C ATOM 899 ND1 HIS A 58 1.953 -14.241 -11.903 1.00 1.00 N ATOM 900 CD2 HIS A 58 2.074 -15.371 -10.030 1.00 1.00 C ATOM 901 CE1 HIS A 58 2.778 -15.253 -12.103 1.00 1.00 C ATOM 902 NE2 HIS A 58 2.870 -15.947 -10.984 1.00 1.00 N ATOM 0 H HIS A 58 -1.667 -14.570 -8.985 1.00 1.00 H new ATOM 0 HA HIS A 58 0.908 -13.562 -8.018 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -0.383 -13.314 -10.765 1.00 1.00 H new ATOM 0 HB3 HIS A 58 0.927 -12.290 -10.212 1.00 1.00 H new ATOM 0 HD1 HIS A 58 1.702 -13.536 -12.596 1.00 1.00 H new ATOM 0 HD2 HIS A 58 1.937 -15.708 -9.013 1.00 1.00 H new ATOM 0 HE1 HIS A 58 3.291 -15.475 -13.027 1.00 1.00 H new ATOM 910 N GLN A 59 -1.125 -12.008 -7.062 1.00 1.00 N ATOM 911 CA GLN A 59 -2.128 -11.038 -6.749 1.00 1.00 C ATOM 912 C GLN A 59 -1.617 -10.178 -5.647 1.00 1.00 C ATOM 913 O GLN A 59 -0.945 -10.666 -4.739 1.00 1.00 O ATOM 914 CB GLN A 59 -3.443 -11.724 -6.339 1.00 1.00 C ATOM 915 CG GLN A 59 -4.714 -10.957 -6.712 1.00 1.00 C ATOM 916 CD GLN A 59 -5.965 -11.757 -6.380 1.00 1.00 C ATOM 917 OE1 GLN A 59 -6.076 -12.379 -5.326 1.00 1.00 O ATOM 918 NE2 GLN A 59 -6.986 -11.726 -7.279 1.00 1.00 N ATOM 0 H GLN A 59 -0.656 -12.416 -6.253 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.340 -10.429 -7.628 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.482 -12.710 -6.803 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -3.434 -11.880 -5.260 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -4.736 -10.007 -6.179 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -4.701 -10.725 -7.777 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -6.882 -11.206 -8.151 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -7.855 -12.222 -7.081 1.00 1.00 H new ATOM 927 N VAL A 60 -1.888 -8.862 -5.713 1.00 1.00 N ATOM 928 CA VAL A 60 -1.420 -7.909 -4.753 1.00 1.00 C ATOM 929 C VAL A 60 -2.636 -7.288 -4.157 1.00 1.00 C ATOM 930 O VAL A 60 -3.687 -7.276 -4.795 1.00 1.00 O ATOM 931 CB VAL A 60 -0.525 -6.892 -5.398 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.052 -5.884 -4.389 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.657 -7.580 -6.101 1.00 1.00 C ATOM 0 H VAL A 60 -2.450 -8.448 -6.457 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.816 -8.383 -3.979 1.00 1.00 H new ATOM 0 HB VAL A 60 -1.148 -6.357 -6.114 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.692 -5.172 -4.911 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.764 -5.350 -3.902 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.637 -6.415 -3.638 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.295 -6.826 -6.563 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.235 -8.146 -5.371 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.280 -8.256 -6.869 1.00 1.00 H new ATOM 943 N TRP A 61 -2.581 -6.763 -2.921 1.00 1.00 N ATOM 944 CA TRP A 61 -3.677 -6.113 -2.272 1.00 1.00 C ATOM 945 C TRP A 61 -3.536 -4.635 -2.387 1.00 1.00 C ATOM 946 O TRP A 61 -2.419 -4.119 -2.428 1.00 1.00 O ATOM 947 CB TRP A 61 -3.808 -6.643 -0.832 1.00 1.00 C ATOM 948 CG TRP A 61 -3.655 -5.712 0.346 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.652 -4.813 0.568 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.566 -5.570 1.454 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.909 -4.069 1.690 1.00 1.00 N ATOM 952 CE2 TRP A 61 -4.062 -4.547 2.266 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.725 -6.222 1.771 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.716 -4.191 3.414 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -6.378 -5.847 2.921 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.881 -4.851 3.726 1.00 1.00 C ATOM 0 H TRP A 61 -1.737 -6.792 -2.349 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.621 -6.349 -2.763 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.791 -7.108 -0.749 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.069 -7.436 -0.713 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.776 -4.703 -0.055 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -2.343 -3.295 2.037 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -6.115 -7.006 1.139 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -4.328 -3.414 4.056 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -7.297 -6.344 3.196 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -6.417 -4.580 4.624 1.00 1.00 H new ATOM 967 N LEU A 62 -4.641 -3.871 -2.452 1.00 1.00 N ATOM 968 CA LEU A 62 -4.552 -2.445 -2.496 1.00 1.00 C ATOM 969 C LEU A 62 -5.504 -1.801 -1.548 1.00 1.00 C ATOM 970 O LEU A 62 -6.650 -1.516 -1.889 1.00 1.00 O ATOM 971 CB LEU A 62 -4.864 -2.031 -3.944 1.00 1.00 C ATOM 972 CG LEU A 62 -4.230 -0.745 -4.501 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.956 0.533 -4.044 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.717 -0.646 -4.243 1.00 1.00 C ATOM 0 H LEU A 62 -5.592 -4.239 -2.474 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.557 -2.119 -2.194 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.566 -2.854 -4.594 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -5.946 -1.931 -4.033 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.360 -0.822 -5.580 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.461 1.405 -4.471 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.992 0.503 -4.381 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.930 0.597 -2.956 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.337 0.285 -4.663 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.529 -0.664 -3.169 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.212 -1.489 -4.714 1.00 1.00 H new ATOM 986 N ALA A 63 -5.067 -1.511 -0.309 1.00 1.00 N ATOM 987 CA ALA A 63 -5.842 -0.778 0.644 1.00 1.00 C ATOM 988 C ALA A 63 -5.375 0.629 0.779 1.00 1.00 C ATOM 989 O ALA A 63 -4.224 0.990 0.542 1.00 1.00 O ATOM 990 CB ALA A 63 -5.895 -1.488 2.008 1.00 1.00 C ATOM 0 H ALA A 63 -4.151 -1.794 0.039 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.861 -0.742 0.258 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.493 -0.898 2.702 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.345 -2.473 1.888 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -4.884 -1.596 2.401 1.00 1.00 H new ATOM 996 N THR A 64 -6.332 1.515 1.106 1.00 1.00 N ATOM 997 CA THR A 64 -6.170 2.936 1.117 1.00 1.00 C ATOM 998 C THR A 64 -7.106 3.478 2.141 1.00 1.00 C ATOM 999 O THR A 64 -6.714 3.718 3.282 1.00 1.00 O ATOM 1000 CB THR A 64 -6.434 3.601 -0.201 1.00 1.00 C ATOM 1001 OG1 THR A 64 -7.399 2.886 -0.958 1.00 1.00 O ATOM 1002 CG2 THR A 64 -5.150 3.628 -1.049 1.00 1.00 C ATOM 0 H THR A 64 -7.271 1.223 1.378 1.00 1.00 H new ATOM 0 HA THR A 64 -5.125 3.148 1.344 1.00 1.00 H new ATOM 0 HB THR A 64 -6.792 4.606 0.021 1.00 1.00 H new ATOM 0 HG1 THR A 64 -8.177 3.459 -1.122 1.00 1.00 H new ATOM 0 HG21 THR A 64 -5.354 4.113 -2.003 1.00 1.00 H new ATOM 0 HG22 THR A 64 -4.375 4.182 -0.519 1.00 1.00 H new ATOM 0 HG23 THR A 64 -4.809 2.608 -1.226 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.387 3.672 1.778 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.399 4.155 2.666 1.00 1.00 C ATOM 1012 C LYS A 65 -10.549 3.212 2.763 1.00 1.00 C ATOM 1013 O LYS A 65 -10.908 2.747 3.845 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.914 5.541 2.243 1.00 1.00 C ATOM 1015 CG LYS A 65 -10.638 6.254 3.385 1.00 1.00 C ATOM 1016 CD LYS A 65 -11.309 7.564 2.964 1.00 1.00 C ATOM 1017 CE LYS A 65 -12.101 8.253 4.077 1.00 1.00 C ATOM 1018 NZ LYS A 65 -11.211 8.918 5.054 1.00 1.00 N ATOM 0 H LYS A 65 -8.730 3.487 0.835 1.00 1.00 H new ATOM 0 HA LYS A 65 -8.928 4.237 3.646 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.076 6.152 1.907 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.591 5.433 1.395 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -11.393 5.586 3.798 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -9.925 6.461 4.183 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -10.544 8.250 2.601 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -11.979 7.363 2.128 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -12.776 8.989 3.641 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -12.720 7.518 4.591 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -11.785 9.373 5.792 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -10.584 8.212 5.489 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -10.638 9.637 4.568 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.197 2.927 1.621 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.526 2.398 1.594 1.00 1.00 C ATOM 1034 C GLN A 66 -12.614 1.082 0.901 1.00 1.00 C ATOM 1035 O GLN A 66 -13.509 0.280 1.161 1.00 1.00 O ATOM 1036 CB GLN A 66 -13.397 3.459 0.900 1.00 1.00 C ATOM 1037 CG GLN A 66 -14.908 3.238 0.990 1.00 1.00 C ATOM 1038 CD GLN A 66 -15.674 4.476 0.546 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -15.113 5.524 0.230 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -17.030 4.368 0.524 1.00 1.00 N ATOM 0 H GLN A 66 -10.790 3.067 0.696 1.00 1.00 H new ATOM 0 HA GLN A 66 -12.869 2.199 2.609 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -13.164 4.433 1.331 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -13.116 3.501 -0.152 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -15.192 2.389 0.368 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -15.181 2.987 2.015 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -17.476 3.490 0.790 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -17.601 5.165 0.242 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.657 0.775 0.006 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.676 -0.418 -0.784 1.00 1.00 C ATOM 1051 C GLY A 67 -10.975 -1.581 -0.174 1.00 1.00 C ATOM 1052 O GLY A 67 -11.592 -2.468 0.415 1.00 1.00 O ATOM 0 H GLY A 67 -10.849 1.372 -0.173 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -12.713 -0.695 -0.974 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -11.221 -0.204 -1.751 1.00 1.00 H new ATOM 1056 N GLY A 68 -9.643 -1.652 -0.349 1.00 1.00 N ATOM 1057 CA GLY A 68 -8.855 -2.815 -0.083 1.00 1.00 C ATOM 1058 C GLY A 68 -9.020 -3.875 -1.118 1.00 1.00 C ATOM 1059 O GLY A 68 -9.295 -5.037 -0.824 1.00 1.00 O ATOM 0 H GLY A 68 -9.092 -0.865 -0.691 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -7.804 -2.531 -0.025 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -9.130 -3.219 0.891 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.866 -3.497 -2.400 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.203 -4.327 -3.514 1.00 1.00 C ATOM 1065 C TYR A 69 -7.957 -4.961 -4.030 1.00 1.00 C ATOM 1066 O TYR A 69 -6.972 -4.284 -4.322 1.00 1.00 O ATOM 1067 CB TYR A 69 -9.877 -3.530 -4.641 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.279 -3.094 -4.384 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -11.947 -3.278 -3.197 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.956 -2.499 -5.424 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -13.249 -2.865 -3.044 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -13.266 -2.104 -5.293 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.919 -2.288 -4.097 1.00 1.00 C ATOM 1074 OH TYR A 69 -15.271 -1.913 -3.940 1.00 1.00 O ATOM 0 H TYR A 69 -8.496 -2.586 -2.669 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.913 -5.083 -3.177 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -9.274 -2.645 -4.844 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.866 -4.138 -5.546 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -11.441 -3.755 -2.371 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -11.447 -2.339 -6.363 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -13.747 -2.994 -2.094 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -13.781 -1.650 -6.127 1.00 1.00 H new ATOM 0 HH TYR A 69 -15.600 -1.519 -4.775 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.917 -6.300 -4.148 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.762 -6.977 -4.650 1.00 1.00 C ATOM 1086 C HIS A 70 -6.836 -7.194 -6.121 1.00 1.00 C ATOM 1087 O HIS A 70 -7.908 -7.164 -6.727 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.525 -8.304 -3.910 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.734 -9.187 -3.809 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -8.293 -10.043 -4.705 1.00 1.00 N flip ATOM 1091 CD2 HIS A 70 -8.515 -9.238 -2.684 1.00 1.00 C flip ATOM 1092 CE1 HIS A 70 -9.387 -10.594 -4.092 1.00 1.00 C flip ATOM 1093 NE2 HIS A 70 -9.494 -10.102 -2.872 1.00 1.00 N flip ATOM 0 H HIS A 70 -8.689 -6.917 -3.894 1.00 1.00 H new ATOM 0 HA HIS A 70 -5.908 -6.327 -4.461 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.732 -8.852 -4.419 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.166 -8.085 -2.904 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.354 -8.662 -1.785 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -10.056 -11.316 -4.536 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -10.212 -10.348 -2.190 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.666 -7.357 -6.765 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.517 -7.085 -8.161 1.00 1.00 C ATOM 1103 C PHE A 71 -4.595 -7.999 -8.889 1.00 1.00 C ATOM 1104 O PHE A 71 -3.581 -8.437 -8.351 1.00 1.00 O ATOM 1105 CB PHE A 71 -5.185 -5.590 -8.314 1.00 1.00 C ATOM 1106 CG PHE A 71 -3.894 -5.088 -7.766 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -3.779 -4.695 -6.453 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.839 -4.847 -8.614 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -2.628 -4.099 -5.994 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.683 -4.247 -8.172 1.00 1.00 C ATOM 1111 CZ PHE A 71 -1.580 -3.869 -6.854 1.00 1.00 C ATOM 0 H PHE A 71 -4.812 -7.682 -6.311 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.461 -7.301 -8.662 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -5.208 -5.353 -9.378 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.988 -5.022 -7.843 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -4.603 -4.857 -5.774 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -2.920 -5.136 -9.652 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -2.547 -3.811 -4.956 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -0.864 -4.074 -8.854 1.00 1.00 H new ATOM 0 HZ PHE A 71 -0.679 -3.393 -6.496 1.00 1.00 H new ATOM 1121 N ASP A 72 -4.934 -8.343 -10.146 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.294 -9.321 -10.969 1.00 1.00 C ATOM 1123 C ASP A 72 -3.758 -8.699 -12.214 1.00 1.00 C ATOM 1124 O ASP A 72 -4.275 -7.688 -12.685 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.255 -10.397 -11.500 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.066 -11.126 -10.436 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -6.922 -10.503 -9.755 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -5.934 -12.377 -10.365 1.00 1.00 O ATOM 0 H ASP A 72 -5.719 -7.900 -10.622 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.530 -9.751 -10.321 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -5.945 -9.930 -12.203 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -4.678 -11.132 -12.061 1.00 1.00 H new ATOM 1133 N LEU A 73 -2.736 -9.299 -12.851 1.00 1.00 N ATOM 1134 CA LEU A 73 -2.145 -8.824 -14.064 1.00 1.00 C ATOM 1135 C LEU A 73 -2.785 -9.442 -15.260 1.00 1.00 C ATOM 1136 O LEU A 73 -2.718 -10.651 -15.473 1.00 1.00 O ATOM 1137 CB LEU A 73 -0.646 -9.167 -14.047 1.00 1.00 C ATOM 1138 CG LEU A 73 0.167 -8.812 -15.303 1.00 1.00 C ATOM 1139 CD1 LEU A 73 0.120 -7.309 -15.625 1.00 1.00 C ATOM 1140 CD2 LEU A 73 1.630 -9.253 -15.126 1.00 1.00 C ATOM 0 H LEU A 73 -2.302 -10.154 -12.504 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.292 -7.746 -14.127 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -0.192 -8.660 -13.196 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -0.546 -10.238 -13.870 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.286 -9.344 -16.139 1.00 1.00 H new ATOM 0 HD11 LEU A 73 0.709 -7.110 -16.520 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -0.913 -7.006 -15.796 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.530 -6.745 -14.788 1.00 1.00 H new ATOM 0 HD21 LEU A 73 2.198 -8.997 -16.021 1.00 1.00 H new ATOM 0 HD22 LEU A 73 2.062 -8.744 -14.264 1.00 1.00 H new ATOM 0 HD23 LEU A 73 1.669 -10.331 -14.967 1.00 1.00 H new ATOM 1152 N LYS A 74 -3.420 -8.626 -16.121 1.00 1.00 N ATOM 1153 CA LYS A 74 -3.883 -9.080 -17.395 1.00 1.00 C ATOM 1154 C LYS A 74 -2.804 -9.144 -18.421 1.00 1.00 C ATOM 1155 O LYS A 74 -2.695 -10.136 -19.142 1.00 1.00 O ATOM 1156 CB LYS A 74 -5.031 -8.188 -17.899 1.00 1.00 C ATOM 1157 CG LYS A 74 -6.332 -8.389 -17.118 1.00 1.00 C ATOM 1158 CD LYS A 74 -7.056 -9.710 -17.387 1.00 1.00 C ATOM 1159 CE LYS A 74 -8.266 -9.919 -16.476 1.00 1.00 C ATOM 1160 NZ LYS A 74 -9.062 -11.094 -16.896 1.00 1.00 N ATOM 0 H LYS A 74 -3.614 -7.643 -15.931 1.00 1.00 H new ATOM 0 HA LYS A 74 -4.243 -10.098 -17.246 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -4.729 -7.143 -17.829 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -5.211 -8.398 -18.953 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -6.111 -8.325 -16.053 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -7.009 -7.568 -17.353 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -7.381 -9.735 -18.427 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -6.358 -10.536 -17.251 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -7.930 -10.054 -15.448 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -8.894 -9.028 -16.492 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -9.875 -11.208 -16.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -9.402 -10.953 -17.869 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -8.469 -11.947 -16.857 1.00 1.00 H new ATOM 1174 N GLY A 75 -1.955 -8.106 -18.537 1.00 1.00 N ATOM 1175 CA GLY A 75 -0.907 -8.104 -19.510 1.00 1.00 C ATOM 1176 C GLY A 75 -0.016 -6.917 -19.384 1.00 1.00 C ATOM 1177 O GLY A 75 1.097 -7.012 -18.872 1.00 1.00 O ATOM 0 H GLY A 75 -1.995 -7.268 -17.957 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -0.314 -9.013 -19.403 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -1.343 -8.123 -20.509 1.00 1.00 H new ATOM 1181 N ASP A 76 -0.490 -5.746 -19.846 1.00 1.00 N ATOM 1182 CA ASP A 76 0.163 -4.484 -19.696 1.00 1.00 C ATOM 1183 C ASP A 76 -0.440 -3.665 -18.605 1.00 1.00 C ATOM 1184 O ASP A 76 -0.002 -2.554 -18.311 1.00 1.00 O ATOM 1185 CB ASP A 76 0.231 -3.701 -21.017 1.00 1.00 C ATOM 1186 CG ASP A 76 -1.093 -3.576 -21.759 1.00 1.00 C ATOM 1187 OD1 ASP A 76 -1.470 -4.541 -22.476 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -1.751 -2.505 -21.679 1.00 1.00 O ATOM 0 H ASP A 76 -1.374 -5.677 -20.350 1.00 1.00 H new ATOM 0 HA ASP A 76 1.190 -4.704 -19.403 1.00 1.00 H new ATOM 0 HB2 ASP A 76 0.610 -2.700 -20.810 1.00 1.00 H new ATOM 0 HB3 ASP A 76 0.954 -4.186 -21.673 1.00 1.00 H new ATOM 1193 N GLU A 77 -1.472 -4.188 -17.920 1.00 1.00 N ATOM 1194 CA GLU A 77 -2.205 -3.464 -16.927 1.00 1.00 C ATOM 1195 C GLU A 77 -2.757 -4.485 -15.994 1.00 1.00 C ATOM 1196 O GLU A 77 -3.018 -5.633 -16.352 1.00 1.00 O ATOM 1197 CB GLU A 77 -3.304 -2.562 -17.511 1.00 1.00 C ATOM 1198 CG GLU A 77 -4.323 -3.243 -18.429 1.00 1.00 C ATOM 1199 CD GLU A 77 -5.192 -2.237 -19.170 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -4.922 -1.011 -19.073 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -6.123 -2.677 -19.896 1.00 1.00 O ATOM 0 H GLU A 77 -1.807 -5.141 -18.060 1.00 1.00 H new ATOM 0 HA GLU A 77 -1.544 -2.767 -16.411 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -3.843 -2.100 -16.684 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -2.826 -1.757 -18.068 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -3.798 -3.868 -19.151 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -4.958 -3.903 -17.838 1.00 1.00 H new ATOM 1208 N TRP A 78 -2.891 -4.077 -14.719 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.454 -4.904 -13.697 1.00 1.00 C ATOM 1210 C TRP A 78 -4.883 -4.506 -13.553 1.00 1.00 C ATOM 1211 O TRP A 78 -5.231 -3.326 -13.551 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.694 -4.817 -12.363 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.249 -5.259 -12.350 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.185 -4.736 -13.027 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.710 -6.291 -11.506 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.971 -5.377 -12.669 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.668 -6.347 -11.743 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.290 -7.129 -10.593 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.462 -7.243 -11.081 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.483 -8.022 -9.925 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.869 -8.078 -10.164 1.00 1.00 C ATOM 0 H TRP A 78 -2.603 -3.155 -14.392 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.372 -5.952 -13.987 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -2.732 -3.782 -12.022 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.235 -5.415 -11.629 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -0.246 -3.930 -13.744 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.902 -5.169 -13.030 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.352 -7.091 -10.402 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.524 -7.293 -11.273 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -0.921 -8.691 -9.199 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.475 -8.789 -9.623 1.00 1.00 H new ATOM 1232 N ILE A 79 -5.785 -5.499 -13.463 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.193 -5.328 -13.277 1.00 1.00 C ATOM 1234 C ILE A 79 -7.495 -5.674 -11.860 1.00 1.00 C ATOM 1235 O ILE A 79 -7.028 -6.665 -11.301 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.005 -6.120 -14.258 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -7.750 -5.465 -15.625 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -9.498 -6.186 -13.896 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -8.830 -5.663 -16.688 1.00 1.00 C ATOM 0 H ILE A 79 -5.515 -6.481 -13.524 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.475 -4.294 -13.473 1.00 1.00 H new ATOM 0 HB ILE A 79 -7.702 -7.167 -14.258 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -7.616 -4.394 -15.471 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -6.809 -5.851 -16.018 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -10.029 -6.773 -14.646 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -9.615 -6.654 -12.919 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -9.910 -5.177 -13.867 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -8.535 -5.155 -17.606 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -8.954 -6.728 -16.887 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -9.773 -5.248 -16.331 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.303 -4.814 -11.216 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.684 -4.988 -9.847 1.00 1.00 C ATOM 1253 C CYS A 80 -9.827 -5.943 -9.783 1.00 1.00 C ATOM 1254 O CYS A 80 -10.812 -5.764 -10.497 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.054 -3.642 -9.204 1.00 1.00 C ATOM 1256 SG CYS A 80 -7.598 -2.554 -9.176 1.00 1.00 S ATOM 0 H CYS A 80 -8.700 -3.982 -11.653 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.842 -5.393 -9.285 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -9.861 -3.170 -9.764 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.420 -3.801 -8.190 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.981 -1.314 -9.256 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.734 -7.003 -8.962 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.619 -8.126 -8.997 1.00 1.00 C ATOM 1264 C ASP A 81 -11.991 -7.796 -8.518 1.00 1.00 C ATOM 1265 O ASP A 81 -12.995 -8.258 -9.058 1.00 1.00 O ATOM 1266 CB ASP A 81 -9.997 -9.277 -8.186 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.711 -10.600 -8.423 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -10.726 -11.090 -9.583 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -11.273 -11.178 -7.453 1.00 1.00 O ATOM 0 H ASP A 81 -9.013 -7.082 -8.244 1.00 1.00 H new ATOM 0 HA ASP A 81 -10.741 -8.434 -10.035 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -8.945 -9.381 -8.454 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -10.033 -9.032 -7.125 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.086 -6.944 -7.482 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.325 -6.473 -6.946 1.00 1.00 C ATOM 1276 C ARG A 82 -13.915 -5.447 -7.851 1.00 1.00 C ATOM 1277 O ARG A 82 -13.291 -4.431 -8.157 1.00 1.00 O ATOM 1278 CB ARG A 82 -13.119 -5.907 -5.531 1.00 1.00 C ATOM 1279 CG ARG A 82 -13.334 -6.910 -4.396 1.00 1.00 C ATOM 1280 CD ARG A 82 -12.426 -8.141 -4.367 1.00 1.00 C ATOM 1281 NE ARG A 82 -13.252 -9.311 -3.956 1.00 1.00 N ATOM 1282 CZ ARG A 82 -13.722 -9.534 -2.695 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -13.282 -8.821 -1.616 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -14.684 -10.482 -2.502 1.00 1.00 N ATOM 0 H ARG A 82 -11.269 -6.569 -7.000 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.020 -7.309 -6.874 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -12.106 -5.511 -5.458 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -13.801 -5.068 -5.389 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -13.215 -6.381 -3.451 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -14.367 -7.254 -4.441 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -11.984 -8.312 -5.349 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -11.603 -7.991 -3.669 1.00 1.00 H new ATOM 0 HE ARG A 82 -13.484 -9.998 -4.673 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -12.578 -8.093 -1.738 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -13.657 -9.017 -0.688 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -15.043 -11.014 -3.295 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -15.045 -10.659 -1.564 1.00 1.00 H new ATOM 1298 N SER A 83 -15.138 -5.704 -8.348 1.00 1.00 N ATOM 1299 CA SER A 83 -15.863 -4.963 -9.333 1.00 1.00 C ATOM 1300 C SER A 83 -15.365 -5.078 -10.733 1.00 1.00 C ATOM 1301 O SER A 83 -16.129 -5.424 -11.632 1.00 1.00 O ATOM 1302 CB SER A 83 -16.259 -3.527 -8.945 1.00 1.00 C ATOM 1303 OG SER A 83 -15.159 -2.632 -8.864 1.00 1.00 O ATOM 0 H SER A 83 -15.670 -6.512 -8.026 1.00 1.00 H new ATOM 0 HA SER A 83 -16.807 -5.509 -9.335 1.00 1.00 H new ATOM 0 HB2 SER A 83 -16.972 -3.146 -9.676 1.00 1.00 H new ATOM 0 HB3 SER A 83 -16.770 -3.548 -7.982 1.00 1.00 H new ATOM 0 HG SER A 83 -14.416 -3.069 -8.398 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.069 -4.819 -10.977 1.00 1.00 N ATOM 1310 CA GLY A 84 -13.486 -4.821 -12.283 1.00 1.00 C ATOM 1311 C GLY A 84 -12.996 -3.450 -12.601 1.00 1.00 C ATOM 1312 O GLY A 84 -13.643 -2.689 -13.319 1.00 1.00 O ATOM 0 H GLY A 84 -13.401 -4.600 -10.238 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -12.663 -5.534 -12.326 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.221 -5.138 -13.022 1.00 1.00 H new ATOM 1316 N GLU A 85 -11.809 -3.100 -12.073 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.282 -1.773 -12.149 1.00 1.00 C ATOM 1318 C GLU A 85 -9.851 -1.935 -12.533 1.00 1.00 C ATOM 1319 O GLU A 85 -9.475 -2.921 -13.165 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.491 -0.977 -10.849 1.00 1.00 C ATOM 1321 CG GLU A 85 -12.906 -0.422 -10.683 1.00 1.00 C ATOM 1322 CD GLU A 85 -13.143 0.897 -11.405 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -12.991 0.965 -12.653 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -13.513 1.891 -10.725 1.00 1.00 O ATOM 0 H GLU A 85 -11.201 -3.755 -11.582 1.00 1.00 H new ATOM 0 HA GLU A 85 -11.809 -1.172 -12.890 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -11.262 -1.621 -10.000 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -10.781 -0.150 -10.823 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -13.620 -1.159 -11.051 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -13.109 -0.284 -9.621 1.00 1.00 H new ATOM 1331 N THR A 86 -8.974 -0.963 -12.224 1.00 1.00 N ATOM 1332 CA THR A 86 -7.782 -0.785 -12.995 1.00 1.00 C ATOM 1333 C THR A 86 -6.682 -0.333 -12.095 1.00 1.00 C ATOM 1334 O THR A 86 -6.921 0.543 -11.264 1.00 1.00 O ATOM 1335 CB THR A 86 -7.989 0.336 -13.968 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.201 0.200 -14.695 1.00 1.00 O ATOM 1337 CG2 THR A 86 -6.870 0.387 -15.021 1.00 1.00 C ATOM 0 H THR A 86 -9.087 -0.308 -11.451 1.00 1.00 H new ATOM 0 HA THR A 86 -7.545 -1.724 -13.495 1.00 1.00 H new ATOM 0 HB THR A 86 -8.003 1.239 -13.358 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.296 0.952 -15.316 1.00 1.00 H new ATOM 0 HG21 THR A 86 -7.055 1.212 -15.709 1.00 1.00 H new ATOM 0 HG22 THR A 86 -5.911 0.535 -14.525 1.00 1.00 H new ATOM 0 HG23 THR A 86 -6.850 -0.551 -15.577 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.456 -0.863 -12.239 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.252 -0.534 -11.541 1.00 1.00 C ATOM 1347 C PHE A 87 -4.071 0.866 -11.066 1.00 1.00 C ATOM 1348 O PHE A 87 -4.458 1.232 -9.957 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.119 -0.963 -12.488 1.00 1.00 C ATOM 1350 CG PHE A 87 -1.729 -0.998 -11.951 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -1.408 -0.857 -10.622 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -0.718 -1.165 -12.869 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -0.093 -0.823 -10.222 1.00 1.00 C ATOM 1354 CE2 PHE A 87 0.599 -1.172 -12.471 1.00 1.00 C ATOM 1355 CZ PHE A 87 0.912 -0.984 -11.147 1.00 1.00 C ATOM 0 H PHE A 87 -5.293 -1.604 -12.921 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.272 -1.058 -10.586 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.357 -1.959 -12.862 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.128 -0.290 -13.345 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -2.194 -0.772 -9.887 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -0.961 -1.292 -13.914 1.00 1.00 H new ATOM 0 HE1 PHE A 87 0.151 -0.670 -9.181 1.00 1.00 H new ATOM 0 HE2 PHE A 87 1.384 -1.325 -13.197 1.00 1.00 H new ATOM 0 HZ PHE A 87 1.945 -0.963 -10.833 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.450 1.723 -11.896 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.012 3.029 -11.513 1.00 1.00 C ATOM 1367 C TRP A 88 -4.159 3.970 -11.371 1.00 1.00 C ATOM 1368 O TRP A 88 -4.106 4.925 -10.597 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.059 3.635 -12.556 1.00 1.00 C ATOM 1370 CG TRP A 88 -0.897 2.803 -13.043 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -0.766 2.257 -14.288 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.347 2.557 -12.364 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.481 1.713 -14.439 1.00 1.00 N ATOM 1374 CE2 TRP A 88 1.182 1.893 -13.270 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.782 2.858 -11.101 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.462 1.554 -12.924 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 2.062 2.492 -10.755 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.887 1.856 -11.652 1.00 1.00 C ATOM 0 H TRP A 88 -3.245 1.498 -12.870 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.501 2.903 -10.559 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.654 3.914 -13.426 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.654 4.557 -12.138 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.536 2.255 -15.045 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.831 1.251 -15.278 1.00 1.00 H new ATOM 0 HE3 TRP A 88 0.140 3.367 -10.398 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 3.118 1.064 -13.629 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.425 2.708 -9.761 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.889 1.588 -11.351 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.249 3.727 -12.119 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.424 4.540 -12.129 1.00 1.00 C ATOM 1391 C ASP A 89 -7.281 4.384 -10.920 1.00 1.00 C ATOM 1392 O ASP A 89 -7.816 5.355 -10.386 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.236 4.245 -13.401 1.00 1.00 C ATOM 1394 CG ASP A 89 -6.434 4.616 -14.640 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -6.062 5.812 -14.790 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -6.186 3.732 -15.503 1.00 1.00 O ATOM 0 H ASP A 89 -5.314 2.925 -12.747 1.00 1.00 H new ATOM 0 HA ASP A 89 -6.088 5.577 -12.118 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.501 3.188 -13.434 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.170 4.807 -13.383 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.439 3.161 -10.385 1.00 1.00 N ATOM 1402 CA LEU A 90 -8.148 2.955 -9.160 1.00 1.00 C ATOM 1403 C LEU A 90 -7.362 3.512 -8.022 1.00 1.00 C ATOM 1404 O LEU A 90 -7.875 4.246 -7.179 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.446 1.476 -8.857 1.00 1.00 C ATOM 1406 CG LEU A 90 -9.267 1.244 -7.577 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -10.669 1.871 -7.633 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.382 -0.248 -7.218 1.00 1.00 C ATOM 0 H LEU A 90 -7.072 2.307 -10.805 1.00 1.00 H new ATOM 0 HA LEU A 90 -9.103 3.466 -9.279 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -8.983 1.045 -9.702 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.502 0.938 -8.772 1.00 1.00 H new ATOM 0 HG LEU A 90 -8.707 1.752 -6.792 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -11.195 1.670 -6.699 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -10.580 2.948 -7.776 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -11.227 1.440 -8.464 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -9.971 -0.359 -6.307 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -9.871 -0.782 -8.033 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -8.386 -0.662 -7.059 1.00 1.00 H new ATOM 1420 N LEU A 91 -6.052 3.209 -8.021 1.00 1.00 N ATOM 1421 CA LEU A 91 -5.065 3.779 -7.158 1.00 1.00 C ATOM 1422 C LEU A 91 -5.066 5.268 -7.123 1.00 1.00 C ATOM 1423 O LEU A 91 -5.035 5.866 -6.050 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.684 3.239 -7.568 1.00 1.00 C ATOM 1425 CG LEU A 91 -2.449 3.797 -6.840 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -2.431 3.453 -5.340 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.185 3.272 -7.541 1.00 1.00 C ATOM 0 H LEU A 91 -5.658 2.522 -8.664 1.00 1.00 H new ATOM 0 HA LEU A 91 -5.313 3.478 -6.140 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.693 2.158 -7.431 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.556 3.424 -8.635 1.00 1.00 H new ATOM 0 HG LEU A 91 -2.485 4.885 -6.893 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -1.536 3.873 -4.881 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -3.316 3.871 -4.860 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -2.428 2.370 -5.215 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.301 3.660 -7.035 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -1.175 2.183 -7.505 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -1.182 3.601 -8.580 1.00 1.00 H new ATOM 1439 N GLU A 92 -5.158 5.944 -8.282 1.00 1.00 N ATOM 1440 CA GLU A 92 -5.330 7.357 -8.432 1.00 1.00 C ATOM 1441 C GLU A 92 -6.526 7.889 -7.720 1.00 1.00 C ATOM 1442 O GLU A 92 -6.398 8.839 -6.951 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.346 7.739 -9.921 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.447 9.231 -10.249 1.00 1.00 C ATOM 1445 CD GLU A 92 -6.853 9.683 -10.621 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -7.357 9.272 -11.701 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -7.440 10.508 -9.875 1.00 1.00 O ATOM 0 H GLU A 92 -5.108 5.466 -9.182 1.00 1.00 H new ATOM 0 HA GLU A 92 -4.472 7.830 -7.954 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.438 7.351 -10.381 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.186 7.229 -10.394 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -5.106 9.807 -9.389 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.772 9.459 -11.074 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.718 7.285 -7.876 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.893 7.687 -7.169 1.00 1.00 C ATOM 1456 C GLN A 93 -8.786 7.570 -5.688 1.00 1.00 C ATOM 1457 O GLN A 93 -9.020 8.522 -4.948 1.00 1.00 O ATOM 1458 CB GLN A 93 -10.122 6.918 -7.682 1.00 1.00 C ATOM 1459 CG GLN A 93 -11.468 7.614 -7.469 1.00 1.00 C ATOM 1460 CD GLN A 93 -12.163 7.310 -6.150 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -12.652 6.208 -5.906 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -12.291 8.340 -5.272 1.00 1.00 N ATOM 0 H GLN A 93 -7.868 6.499 -8.508 1.00 1.00 H new ATOM 0 HA GLN A 93 -9.010 8.751 -7.374 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.994 6.731 -8.748 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -10.153 5.946 -7.190 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -11.315 8.691 -7.539 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -12.135 7.333 -8.284 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -11.880 9.248 -5.488 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -12.798 8.205 -4.397 1.00 1.00 H new ATOM 1471 N ALA A 94 -8.361 6.390 -5.202 1.00 1.00 N ATOM 1472 CA ALA A 94 -8.070 6.050 -3.843 1.00 1.00 C ATOM 1473 C ALA A 94 -7.090 6.942 -3.160 1.00 1.00 C ATOM 1474 O ALA A 94 -7.277 7.363 -2.019 1.00 1.00 O ATOM 1475 CB ALA A 94 -7.524 4.613 -3.895 1.00 1.00 C ATOM 0 H ALA A 94 -8.207 5.597 -5.824 1.00 1.00 H new ATOM 0 HA ALA A 94 -8.979 6.161 -3.252 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -7.277 4.281 -2.887 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -8.279 3.952 -4.320 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.628 4.586 -4.515 1.00 1.00 H new ATOM 1481 N ALA A 95 -5.984 7.293 -3.840 1.00 1.00 N ATOM 1482 CA ALA A 95 -4.960 8.167 -3.356 1.00 1.00 C ATOM 1483 C ALA A 95 -5.362 9.601 -3.313 1.00 1.00 C ATOM 1484 O ALA A 95 -5.160 10.266 -2.300 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.685 7.974 -4.195 1.00 1.00 C ATOM 0 H ALA A 95 -5.794 6.947 -4.781 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.770 7.893 -2.318 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.904 8.639 -3.828 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -3.349 6.940 -4.114 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.898 8.206 -5.239 1.00 1.00 H new ATOM 1491 N THR A 96 -5.993 10.124 -4.380 1.00 1.00 N ATOM 1492 CA THR A 96 -6.647 11.391 -4.459 1.00 1.00 C ATOM 1493 C THR A 96 -7.609 11.618 -3.342 1.00 1.00 C ATOM 1494 O THR A 96 -7.615 12.667 -2.701 1.00 1.00 O ATOM 1495 CB THR A 96 -7.369 11.591 -5.759 1.00 1.00 C ATOM 1496 OG1 THR A 96 -6.448 11.502 -6.837 1.00 1.00 O ATOM 1497 CG2 THR A 96 -8.028 12.977 -5.864 1.00 1.00 C ATOM 0 H THR A 96 -6.048 9.614 -5.262 1.00 1.00 H new ATOM 0 HA THR A 96 -5.839 12.119 -4.384 1.00 1.00 H new ATOM 0 HB THR A 96 -8.137 10.819 -5.802 1.00 1.00 H new ATOM 0 HG1 THR A 96 -6.438 10.586 -7.184 1.00 1.00 H new ATOM 0 HG21 THR A 96 -8.536 13.067 -6.824 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.752 13.098 -5.058 1.00 1.00 H new ATOM 0 HG23 THR A 96 -7.264 13.750 -5.784 1.00 1.00 H new ATOM 1505 N GLN A 97 -8.442 10.608 -3.038 1.00 1.00 N ATOM 1506 CA GLN A 97 -9.337 10.554 -1.922 1.00 1.00 C ATOM 1507 C GLN A 97 -8.649 10.713 -0.610 1.00 1.00 C ATOM 1508 O GLN A 97 -9.021 11.571 0.188 1.00 1.00 O ATOM 1509 CB GLN A 97 -10.078 9.207 -1.973 1.00 1.00 C ATOM 1510 CG GLN A 97 -10.633 8.591 -0.687 1.00 1.00 C ATOM 1511 CD GLN A 97 -11.881 9.285 -0.159 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -13.007 8.867 -0.421 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -11.692 10.361 0.652 1.00 1.00 N ATOM 0 H GLN A 97 -8.494 9.768 -3.614 1.00 1.00 H new ATOM 0 HA GLN A 97 -10.030 11.392 -2.000 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -10.913 9.322 -2.664 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -9.397 8.479 -2.414 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -10.862 7.541 -0.868 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.860 8.620 0.081 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -10.747 10.688 0.854 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -12.495 10.841 1.058 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.634 9.877 -0.330 1.00 1.00 N ATOM 1523 CA GLN A 98 -6.832 9.945 0.852 1.00 1.00 C ATOM 1524 C GLN A 98 -6.110 11.226 1.088 1.00 1.00 C ATOM 1525 O GLN A 98 -6.084 11.730 2.211 1.00 1.00 O ATOM 1526 CB GLN A 98 -5.836 8.773 0.876 1.00 1.00 C ATOM 1527 CG GLN A 98 -6.415 7.461 1.408 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.612 7.474 2.918 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -7.397 8.229 3.488 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -5.875 6.580 3.630 1.00 1.00 N ATOM 0 H GLN A 98 -7.360 9.119 -0.956 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.549 9.881 1.671 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -5.464 8.608 -0.135 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -4.979 9.053 1.489 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -7.372 7.268 0.923 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -5.750 6.640 1.140 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -5.226 5.957 3.150 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -5.971 6.533 4.644 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.458 11.809 0.068 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.717 13.025 0.192 1.00 1.00 C ATOM 1541 C ALA A 99 -5.576 14.243 0.205 1.00 1.00 C ATOM 1542 O ALA A 99 -5.371 15.167 0.991 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.725 13.116 -0.980 1.00 1.00 C ATOM 0 H ALA A 99 -5.446 11.421 -0.875 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.203 12.996 1.153 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.151 14.039 -0.900 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -3.047 12.263 -0.950 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -4.273 13.110 -1.922 1.00 1.00 H new ATOM 1549 N GLY A 100 -6.584 14.297 -0.683 1.00 1.00 N ATOM 1550 CA GLY A 100 -7.417 15.437 -0.913 1.00 1.00 C ATOM 1551 C GLY A 100 -6.954 16.230 -2.087 1.00 1.00 C ATOM 1552 O GLY A 100 -7.385 17.365 -2.286 1.00 1.00 O ATOM 0 H GLY A 100 -6.831 13.502 -1.273 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -8.444 15.110 -1.077 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -7.421 16.070 -0.025 1.00 1.00 H new ATOM 1556 N GLU A 101 -6.056 15.648 -2.902 1.00 1.00 N ATOM 1557 CA GLU A 101 -5.407 16.270 -4.014 1.00 1.00 C ATOM 1558 C GLU A 101 -4.976 15.164 -4.917 1.00 1.00 C ATOM 1559 O GLU A 101 -4.626 14.090 -4.430 1.00 1.00 O ATOM 1560 CB GLU A 101 -4.196 17.109 -3.570 1.00 1.00 C ATOM 1561 CG GLU A 101 -3.156 17.373 -4.660 1.00 1.00 C ATOM 1562 CD GLU A 101 -2.223 18.539 -4.364 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -1.157 18.345 -3.719 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -2.527 19.661 -4.850 1.00 1.00 O ATOM 0 H GLU A 101 -5.765 14.679 -2.775 1.00 1.00 H new ATOM 0 HA GLU A 101 -6.086 16.959 -4.517 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -4.555 18.066 -3.193 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -3.707 16.602 -2.738 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -2.559 16.472 -4.803 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -3.673 17.565 -5.600 1.00 1.00 H new ATOM 1571 N THR A 102 -5.004 15.361 -6.247 1.00 1.00 N ATOM 1572 CA THR A 102 -4.646 14.387 -7.229 1.00 1.00 C ATOM 1573 C THR A 102 -3.251 13.876 -7.113 1.00 1.00 C ATOM 1574 O THR A 102 -2.275 14.617 -7.222 1.00 1.00 O ATOM 1575 CB THR A 102 -4.854 14.841 -8.644 1.00 1.00 C ATOM 1576 OG1 THR A 102 -6.199 15.253 -8.837 1.00 1.00 O ATOM 1577 CG2 THR A 102 -4.615 13.709 -9.659 1.00 1.00 C ATOM 0 H THR A 102 -5.292 16.249 -6.658 1.00 1.00 H new ATOM 0 HA THR A 102 -5.338 13.575 -7.004 1.00 1.00 H new ATOM 0 HB THR A 102 -4.145 15.653 -8.804 1.00 1.00 H new ATOM 0 HG1 THR A 102 -6.321 15.548 -9.763 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.777 14.086 -10.669 1.00 1.00 H new ATOM 0 HG22 THR A 102 -3.591 13.348 -9.567 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.307 12.891 -9.461 1.00 1.00 H new ATOM 1585 N VAL A 103 -3.113 12.557 -6.893 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.871 11.867 -6.731 1.00 1.00 C ATOM 1587 C VAL A 103 -1.473 11.279 -8.042 1.00 1.00 C ATOM 1588 O VAL A 103 -2.251 10.635 -8.744 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.957 10.819 -5.660 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.631 10.055 -5.506 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -2.308 11.504 -4.330 1.00 1.00 C ATOM 0 H VAL A 103 -3.918 11.935 -6.824 1.00 1.00 H new ATOM 0 HA VAL A 103 -1.107 12.574 -6.408 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.726 10.099 -5.940 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.732 9.305 -4.722 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -0.382 9.565 -6.447 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.163 10.753 -5.240 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -2.374 10.755 -3.541 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -1.533 12.228 -4.078 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -3.266 12.015 -4.426 1.00 1.00 H new ATOM 1601 N SER A 104 -0.211 11.527 -8.435 1.00 1.00 N ATOM 1602 CA SER A 104 0.327 11.237 -9.727 1.00 1.00 C ATOM 1603 C SER A 104 1.002 9.912 -9.831 1.00 1.00 C ATOM 1604 O SER A 104 2.181 9.779 -9.507 1.00 1.00 O ATOM 1605 CB SER A 104 1.321 12.328 -10.162 1.00 1.00 C ATOM 1606 OG SER A 104 1.590 12.284 -11.556 1.00 1.00 O ATOM 0 H SER A 104 0.474 11.956 -7.813 1.00 1.00 H new ATOM 0 HA SER A 104 -0.539 11.209 -10.388 1.00 1.00 H new ATOM 0 HB2 SER A 104 0.920 13.307 -9.902 1.00 1.00 H new ATOM 0 HB3 SER A 104 2.253 12.209 -9.610 1.00 1.00 H new ATOM 0 HG SER A 104 2.224 12.994 -11.789 1.00 1.00 H new ATOM 1612 N PHE A 105 0.300 8.876 -10.323 1.00 1.00 N ATOM 1613 CA PHE A 105 0.847 7.591 -10.633 1.00 1.00 C ATOM 1614 C PHE A 105 0.702 7.277 -12.082 1.00 1.00 C ATOM 1615 O PHE A 105 1.356 6.378 -12.608 1.00 1.00 O ATOM 1616 CB PHE A 105 0.063 6.516 -9.862 1.00 1.00 C ATOM 1617 CG PHE A 105 0.624 6.287 -8.501 1.00 1.00 C ATOM 1618 CD1 PHE A 105 1.772 5.543 -8.360 1.00 1.00 C ATOM 1619 CD2 PHE A 105 -0.027 6.736 -7.375 1.00 1.00 C ATOM 1620 CE1 PHE A 105 2.261 5.238 -7.111 1.00 1.00 C ATOM 1621 CE2 PHE A 105 0.451 6.431 -6.123 1.00 1.00 C ATOM 1622 CZ PHE A 105 1.593 5.676 -5.991 1.00 1.00 C ATOM 0 H PHE A 105 -0.700 8.938 -10.514 1.00 1.00 H new ATOM 0 HA PHE A 105 1.903 7.603 -10.361 1.00 1.00 H new ATOM 0 HB2 PHE A 105 -0.981 6.818 -9.778 1.00 1.00 H new ATOM 0 HB3 PHE A 105 0.080 5.582 -10.423 1.00 1.00 H new ATOM 0 HD1 PHE A 105 2.295 5.195 -9.239 1.00 1.00 H new ATOM 0 HD2 PHE A 105 -0.921 7.333 -7.476 1.00 1.00 H new ATOM 0 HE1 PHE A 105 3.166 4.657 -7.010 1.00 1.00 H new ATOM 0 HE2 PHE A 105 -0.069 6.784 -5.245 1.00 1.00 H new ATOM 0 HZ PHE A 105 1.965 5.427 -5.008 1.00 1.00 H new ATOM 1632 N ARG A 106 -0.207 7.974 -12.786 1.00 1.00 N ATOM 1633 CA ARG A 106 -0.617 7.634 -14.113 1.00 1.00 C ATOM 1634 C ARG A 106 0.176 8.341 -15.202 1.00 1.00 C ATOM 1635 O ARG A 106 1.033 9.217 -14.907 1.00 1.00 O ATOM 1636 CB ARG A 106 -2.118 7.953 -14.214 1.00 1.00 C ATOM 1637 CG ARG A 106 -2.994 6.830 -14.770 1.00 1.00 C ATOM 1638 CD ARG A 106 -2.832 6.525 -16.260 1.00 1.00 C ATOM 1639 NE ARG A 106 -3.884 5.520 -16.577 1.00 1.00 N ATOM 1640 CZ ARG A 106 -4.076 4.967 -17.810 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -3.293 5.262 -18.888 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -5.118 4.101 -17.979 1.00 1.00 N ATOM 1643 OXT ARG A 106 -0.071 8.059 -16.405 1.00 1.00 O ATOM 0 H ARG A 106 -0.673 8.804 -12.419 1.00 1.00 H new ATOM 0 HA ARG A 106 -0.421 6.575 -14.284 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -2.483 8.217 -13.221 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -2.243 8.833 -14.844 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -2.782 5.920 -14.209 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -4.037 7.084 -14.583 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -2.956 7.426 -16.861 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -1.838 6.133 -16.475 1.00 1.00 H new ATOM 0 HE ARG A 106 -4.503 5.225 -15.822 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -2.522 5.923 -18.793 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -3.478 4.821 -19.789 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -5.731 3.881 -17.194 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -5.284 3.674 -18.890 1.00 1.00 H new