USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 12 SER OG : rot 180:sc= 0.12 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.166 K(o=-0.046,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ 162:sc= 1.18 (180deg=0.937) USER MOD Single : A 5 GLN : amide:sc=-0.00602 X(o=-0.006,f=-0.5) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0859 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.998 K(o=1,f=-0.3) USER MOD Single : B 1 PHE N :NH3+ 132:sc= 0.03 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 4 GLN : amide:sc= 0.876 K(o=0.88,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=-0.057) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -53:sc= 0.043 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.699 -2.313 3.117 1.00 0.00 N ATOM 2 CA GLY A 1 9.344 -3.592 3.494 1.00 0.00 C ATOM 3 C GLY A 1 9.179 -4.652 2.417 1.00 0.00 C ATOM 4 O GLY A 1 9.166 -4.314 1.235 1.00 0.00 O ATOM 0 H1 GLY A 1 8.563 -1.729 3.967 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.304 -1.805 2.441 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.776 -2.506 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.405 -3.423 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.914 -3.954 4.428 1.00 0.00 H new ATOM 10 N ILE A 2 9.058 -5.923 2.837 1.00 0.00 N ATOM 11 CA ILE A 2 8.832 -7.197 2.105 1.00 0.00 C ATOM 12 C ILE A 2 9.759 -7.515 0.914 1.00 0.00 C ATOM 13 O ILE A 2 10.331 -8.601 0.852 1.00 0.00 O ATOM 14 CB ILE A 2 7.324 -7.429 1.815 1.00 0.00 C ATOM 15 CG1 ILE A 2 7.005 -8.844 1.277 1.00 0.00 C ATOM 16 CG2 ILE A 2 6.692 -6.416 0.845 1.00 0.00 C ATOM 17 CD1 ILE A 2 7.454 -9.998 2.184 1.00 0.00 C ATOM 0 H ILE A 2 9.125 -6.114 3.837 1.00 0.00 H new ATOM 0 HA ILE A 2 9.163 -7.957 2.813 1.00 0.00 H new ATOM 0 HB ILE A 2 6.882 -7.296 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.929 -8.923 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.479 -8.962 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.639 -6.657 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.782 -5.411 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.207 -6.461 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.187 -10.949 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.534 -9.953 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.960 -9.913 3.152 1.00 0.00 H new ATOM 29 N VAL A 3 9.939 -6.580 -0.014 1.00 0.00 N ATOM 30 CA VAL A 3 10.779 -6.708 -1.217 1.00 0.00 C ATOM 31 C VAL A 3 11.959 -5.733 -1.245 1.00 0.00 C ATOM 32 O VAL A 3 12.971 -6.012 -1.887 1.00 0.00 O ATOM 33 CB VAL A 3 9.933 -6.575 -2.494 1.00 0.00 C ATOM 34 CG1 VAL A 3 9.004 -7.782 -2.656 1.00 0.00 C ATOM 35 CG2 VAL A 3 9.108 -5.277 -2.559 1.00 0.00 C ATOM 0 H VAL A 3 9.486 -5.668 0.048 1.00 0.00 H new ATOM 0 HA VAL A 3 11.211 -7.708 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 3 10.647 -6.537 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.414 -7.668 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.599 -8.693 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.337 -7.845 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.538 -5.254 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.423 -5.238 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.778 -4.418 -2.524 1.00 0.00 H new ATOM 45 N GLU A 4 11.873 -4.613 -0.523 1.00 0.00 N ATOM 46 CA GLU A 4 12.930 -3.591 -0.519 1.00 0.00 C ATOM 47 C GLU A 4 14.247 -4.113 0.061 1.00 0.00 C ATOM 48 O GLU A 4 15.301 -3.873 -0.522 1.00 0.00 O ATOM 49 CB GLU A 4 12.475 -2.358 0.273 1.00 0.00 C ATOM 50 CG GLU A 4 11.433 -1.544 -0.491 1.00 0.00 C ATOM 51 CD GLU A 4 10.895 -0.394 0.376 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.080 -0.664 1.291 1.00 0.00 O ATOM 53 OE2 GLU A 4 11.282 0.781 0.157 1.00 0.00 O ATOM 0 H GLU A 4 11.076 -4.387 0.072 1.00 0.00 H new ATOM 0 HA GLU A 4 13.111 -3.320 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.059 -2.674 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.338 -1.729 0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.876 -1.142 -1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.611 -2.192 -0.795 1.00 0.00 H new ATOM 60 N GLN A 5 14.201 -4.862 1.168 1.00 0.00 N ATOM 61 CA GLN A 5 15.403 -5.283 1.899 1.00 0.00 C ATOM 62 C GLN A 5 16.333 -6.182 1.074 1.00 0.00 C ATOM 63 O GLN A 5 17.550 -6.114 1.242 1.00 0.00 O ATOM 64 CB GLN A 5 14.999 -5.998 3.203 1.00 0.00 C ATOM 65 CG GLN A 5 14.349 -5.072 4.249 1.00 0.00 C ATOM 66 CD GLN A 5 15.294 -4.038 4.872 1.00 0.00 C ATOM 67 OE1 GLN A 5 16.495 -3.989 4.632 1.00 0.00 O ATOM 68 NE2 GLN A 5 14.786 -3.165 5.716 1.00 0.00 N ATOM 0 H GLN A 5 13.330 -5.194 1.583 1.00 0.00 H new ATOM 0 HA GLN A 5 15.966 -4.377 2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.304 -6.803 2.964 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.884 -6.460 3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.517 -4.546 3.780 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.930 -5.686 5.046 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.789 -3.185 5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.389 -2.468 6.154 1.00 0.00 H new ATOM 77 N CYS A 6 15.779 -6.980 0.156 1.00 0.00 N ATOM 78 CA CYS A 6 16.538 -7.890 -0.706 1.00 0.00 C ATOM 79 C CYS A 6 16.901 -7.294 -2.078 1.00 0.00 C ATOM 80 O CYS A 6 17.716 -7.875 -2.802 1.00 0.00 O ATOM 81 CB CYS A 6 15.758 -9.200 -0.833 1.00 0.00 C ATOM 82 SG CYS A 6 15.319 -9.989 0.746 1.00 0.00 S ATOM 0 H CYS A 6 14.773 -7.012 -0.011 1.00 0.00 H new ATOM 0 HA CYS A 6 17.504 -8.075 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 6 14.843 -9.008 -1.393 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.349 -9.902 -1.421 1.00 0.00 H new ATOM 87 N CYS A 7 16.325 -6.137 -2.425 1.00 0.00 N ATOM 88 CA CYS A 7 16.647 -5.370 -3.634 1.00 0.00 C ATOM 89 C CYS A 7 17.662 -4.238 -3.354 1.00 0.00 C ATOM 90 O CYS A 7 18.582 -4.022 -4.146 1.00 0.00 O ATOM 91 CB CYS A 7 15.329 -4.867 -4.242 1.00 0.00 C ATOM 92 SG CYS A 7 15.504 -3.900 -5.769 1.00 0.00 S ATOM 0 H CYS A 7 15.602 -5.696 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 7 17.149 -6.010 -4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.690 -5.726 -4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 7 14.815 -4.256 -3.500 1.00 0.00 H new ATOM 97 N THR A 8 17.553 -3.554 -2.206 1.00 0.00 N ATOM 98 CA THR A 8 18.470 -2.476 -1.775 1.00 0.00 C ATOM 99 C THR A 8 19.690 -2.985 -0.983 1.00 0.00 C ATOM 100 O THR A 8 20.714 -2.304 -0.898 1.00 0.00 O ATOM 101 CB THR A 8 17.682 -1.394 -1.012 1.00 0.00 C ATOM 102 OG1 THR A 8 18.337 -0.149 -1.124 1.00 0.00 O ATOM 103 CG2 THR A 8 17.484 -1.680 0.479 1.00 0.00 C ATOM 0 H THR A 8 16.809 -3.735 -1.532 1.00 0.00 H new ATOM 0 HA THR A 8 18.895 -2.029 -2.674 1.00 0.00 H new ATOM 0 HB THR A 8 16.696 -1.386 -1.477 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.829 0.533 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.920 -0.866 0.934 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.935 -2.614 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.456 -1.764 0.966 1.00 0.00 H new ATOM 111 N SER A 9 19.609 -4.203 -0.430 1.00 0.00 N ATOM 112 CA SER A 9 20.690 -4.910 0.282 1.00 0.00 C ATOM 113 C SER A 9 20.635 -6.423 -0.002 1.00 0.00 C ATOM 114 O SER A 9 19.826 -6.882 -0.811 1.00 0.00 O ATOM 115 CB SER A 9 20.595 -4.605 1.783 1.00 0.00 C ATOM 116 OG SER A 9 21.806 -4.957 2.436 1.00 0.00 O ATOM 0 H SER A 9 18.749 -4.750 -0.467 1.00 0.00 H new ATOM 0 HA SER A 9 21.656 -4.556 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 9 20.388 -3.545 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.764 -5.158 2.221 1.00 0.00 H new ATOM 0 HG SER A 9 21.732 -4.756 3.392 1.00 0.00 H new ATOM 122 N ILE A 10 21.521 -7.209 0.616 1.00 0.00 N ATOM 123 CA ILE A 10 21.646 -8.661 0.390 1.00 0.00 C ATOM 124 C ILE A 10 20.722 -9.503 1.287 1.00 0.00 C ATOM 125 O ILE A 10 20.464 -9.153 2.445 1.00 0.00 O ATOM 126 CB ILE A 10 23.120 -9.127 0.470 1.00 0.00 C ATOM 127 CG1 ILE A 10 23.779 -8.772 1.821 1.00 0.00 C ATOM 128 CG2 ILE A 10 23.908 -8.565 -0.730 1.00 0.00 C ATOM 129 CD1 ILE A 10 25.193 -9.331 2.002 1.00 0.00 C ATOM 0 H ILE A 10 22.187 -6.852 1.302 1.00 0.00 H new ATOM 0 HA ILE A 10 21.301 -8.837 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 10 23.138 -10.216 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 10 23.815 -7.687 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.148 -9.145 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 10 24.945 -8.895 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.465 -8.926 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 10 23.872 -7.476 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.580 -9.034 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 10 25.165 -10.419 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 10 25.842 -8.939 1.219 1.00 0.00 H new ATOM 141 N CYS A 11 20.260 -10.642 0.758 1.00 0.00 N ATOM 142 CA CYS A 11 19.407 -11.619 1.435 1.00 0.00 C ATOM 143 C CYS A 11 19.818 -13.073 1.172 1.00 0.00 C ATOM 144 O CYS A 11 19.887 -13.522 0.025 1.00 0.00 O ATOM 145 CB CYS A 11 17.943 -11.437 1.010 1.00 0.00 C ATOM 146 SG CYS A 11 17.086 -10.032 1.759 1.00 0.00 S ATOM 0 H CYS A 11 20.483 -10.918 -0.198 1.00 0.00 H new ATOM 0 HA CYS A 11 19.527 -11.430 2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.908 -11.326 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 11 17.396 -12.347 1.255 1.00 0.00 H new ATOM 151 N SER A 12 19.994 -13.832 2.255 1.00 0.00 N ATOM 152 CA SER A 12 20.128 -15.291 2.252 1.00 0.00 C ATOM 153 C SER A 12 18.758 -15.981 2.162 1.00 0.00 C ATOM 154 O SER A 12 17.709 -15.338 2.269 1.00 0.00 O ATOM 155 CB SER A 12 20.859 -15.714 3.533 1.00 0.00 C ATOM 156 OG SER A 12 20.024 -15.486 4.659 1.00 0.00 O ATOM 0 H SER A 12 20.049 -13.434 3.192 1.00 0.00 H new ATOM 0 HA SER A 12 20.699 -15.596 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.130 -16.768 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.787 -15.151 3.636 1.00 0.00 H new ATOM 0 HG SER A 12 20.493 -15.759 5.475 1.00 0.00 H new ATOM 162 N LEU A 13 18.753 -17.313 2.041 1.00 0.00 N ATOM 163 CA LEU A 13 17.532 -18.122 2.170 1.00 0.00 C ATOM 164 C LEU A 13 16.879 -17.921 3.553 1.00 0.00 C ATOM 165 O LEU A 13 15.656 -17.869 3.659 1.00 0.00 O ATOM 166 CB LEU A 13 17.866 -19.612 1.958 1.00 0.00 C ATOM 167 CG LEU A 13 18.111 -20.039 0.498 1.00 0.00 C ATOM 168 CD1 LEU A 13 19.400 -19.482 -0.114 1.00 0.00 C ATOM 169 CD2 LEU A 13 18.191 -21.564 0.430 1.00 0.00 C ATOM 0 H LEU A 13 19.592 -17.861 1.851 1.00 0.00 H new ATOM 0 HA LEU A 13 16.824 -17.797 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.754 -19.853 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.048 -20.210 2.360 1.00 0.00 H new ATOM 0 HG LEU A 13 17.276 -19.634 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.495 -19.831 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.367 -18.393 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.256 -19.826 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.364 -21.874 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 13 19.011 -21.914 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.254 -21.994 0.785 1.00 0.00 H new ATOM 181 N TYR A 14 17.684 -17.734 4.600 1.00 0.00 N ATOM 182 CA TYR A 14 17.219 -17.474 5.970 1.00 0.00 C ATOM 183 C TYR A 14 16.560 -16.091 6.120 1.00 0.00 C ATOM 184 O TYR A 14 15.595 -15.945 6.872 1.00 0.00 O ATOM 185 CB TYR A 14 18.379 -17.664 6.956 1.00 0.00 C ATOM 186 CG TYR A 14 19.000 -19.050 6.901 1.00 0.00 C ATOM 187 CD1 TYR A 14 18.343 -20.134 7.513 1.00 0.00 C ATOM 188 CD2 TYR A 14 20.208 -19.263 6.200 1.00 0.00 C ATOM 189 CE1 TYR A 14 18.887 -21.430 7.434 1.00 0.00 C ATOM 190 CE2 TYR A 14 20.751 -20.560 6.111 1.00 0.00 C ATOM 191 CZ TYR A 14 20.092 -21.644 6.729 1.00 0.00 C ATOM 192 OH TYR A 14 20.610 -22.901 6.653 1.00 0.00 O ATOM 0 H TYR A 14 18.701 -17.759 4.521 1.00 0.00 H new ATOM 0 HA TYR A 14 16.438 -18.198 6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.149 -16.921 6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 14 18.020 -17.475 7.968 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.418 -19.971 8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 14 20.715 -18.432 5.733 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.384 -22.258 7.911 1.00 0.00 H new ATOM 0 HE2 TYR A 14 21.671 -20.725 5.570 1.00 0.00 H new ATOM 0 HH TYR A 14 21.441 -22.882 6.133 1.00 0.00 H new ATOM 202 N GLN A 15 17.013 -15.084 5.364 1.00 0.00 N ATOM 203 CA GLN A 15 16.371 -13.763 5.292 1.00 0.00 C ATOM 204 C GLN A 15 15.092 -13.750 4.430 1.00 0.00 C ATOM 205 O GLN A 15 14.272 -12.847 4.589 1.00 0.00 O ATOM 206 CB GLN A 15 17.371 -12.716 4.783 1.00 0.00 C ATOM 207 CG GLN A 15 18.514 -12.434 5.771 1.00 0.00 C ATOM 208 CD GLN A 15 19.575 -11.556 5.115 1.00 0.00 C ATOM 209 OE1 GLN A 15 20.612 -12.025 4.670 1.00 0.00 O ATOM 210 NE2 GLN A 15 19.327 -10.275 4.946 1.00 0.00 N ATOM 0 H GLN A 15 17.844 -15.163 4.778 1.00 0.00 H new ATOM 0 HA GLN A 15 16.059 -13.513 6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 15 17.793 -13.057 3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 15 16.840 -11.786 4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 15 18.122 -11.940 6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 15 18.961 -13.373 6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.465 -9.870 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.996 -9.687 4.449 1.00 0.00 H new ATOM 219 N LEU A 16 14.886 -14.739 3.555 1.00 0.00 N ATOM 220 CA LEU A 16 13.626 -14.959 2.824 1.00 0.00 C ATOM 221 C LEU A 16 12.627 -15.788 3.663 1.00 0.00 C ATOM 222 O LEU A 16 11.435 -15.483 3.700 1.00 0.00 O ATOM 223 CB LEU A 16 13.949 -15.600 1.460 1.00 0.00 C ATOM 224 CG LEU A 16 14.701 -14.666 0.488 1.00 0.00 C ATOM 225 CD1 LEU A 16 15.174 -15.470 -0.727 1.00 0.00 C ATOM 226 CD2 LEU A 16 13.842 -13.515 -0.028 1.00 0.00 C ATOM 0 H LEU A 16 15.604 -15.426 3.327 1.00 0.00 H new ATOM 0 HA LEU A 16 13.129 -14.006 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.549 -16.495 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.018 -15.921 0.992 1.00 0.00 H new ATOM 0 HG LEU A 16 15.533 -14.244 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.705 -14.812 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.841 -16.267 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.312 -15.904 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.431 -12.897 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.979 -13.915 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.502 -12.909 0.812 1.00 0.00 H new ATOM 238 N GLU A 17 13.122 -16.757 4.441 1.00 0.00 N ATOM 239 CA GLU A 17 12.361 -17.488 5.471 1.00 0.00 C ATOM 240 C GLU A 17 11.770 -16.551 6.543 1.00 0.00 C ATOM 241 O GLU A 17 10.764 -16.890 7.165 1.00 0.00 O ATOM 242 CB GLU A 17 13.286 -18.525 6.138 1.00 0.00 C ATOM 243 CG GLU A 17 13.081 -19.951 5.610 1.00 0.00 C ATOM 244 CD GLU A 17 11.928 -20.646 6.353 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.120 -21.120 7.498 1.00 0.00 O ATOM 246 OE2 GLU A 17 10.813 -20.729 5.791 1.00 0.00 O ATOM 0 H GLU A 17 14.092 -17.066 4.373 1.00 0.00 H new ATOM 0 HA GLU A 17 11.522 -17.981 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.324 -18.232 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.114 -18.516 7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.866 -19.921 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.999 -20.526 5.734 1.00 0.00 H new ATOM 253 N ASN A 18 12.327 -15.346 6.709 1.00 0.00 N ATOM 254 CA ASN A 18 11.776 -14.271 7.543 1.00 0.00 C ATOM 255 C ASN A 18 10.309 -13.935 7.185 1.00 0.00 C ATOM 256 O ASN A 18 9.527 -13.570 8.064 1.00 0.00 O ATOM 257 CB ASN A 18 12.676 -13.039 7.356 1.00 0.00 C ATOM 258 CG ASN A 18 12.468 -11.987 8.432 1.00 0.00 C ATOM 259 OD1 ASN A 18 11.619 -11.111 8.339 1.00 0.00 O ATOM 260 ND2 ASN A 18 13.247 -12.041 9.487 1.00 0.00 N ATOM 0 H ASN A 18 13.201 -15.084 6.253 1.00 0.00 H new ATOM 0 HA ASN A 18 11.762 -14.595 8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.720 -13.354 7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.480 -12.597 6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.145 -11.352 10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.954 -12.772 9.562 1.00 0.00 H new ATOM 267 N TYR A 19 9.927 -14.104 5.914 1.00 0.00 N ATOM 268 CA TYR A 19 8.573 -13.858 5.403 1.00 0.00 C ATOM 269 C TYR A 19 7.733 -15.144 5.292 1.00 0.00 C ATOM 270 O TYR A 19 6.518 -15.104 5.495 1.00 0.00 O ATOM 271 CB TYR A 19 8.660 -13.141 4.047 1.00 0.00 C ATOM 272 CG TYR A 19 9.725 -12.057 3.950 1.00 0.00 C ATOM 273 CD1 TYR A 19 9.665 -10.918 4.775 1.00 0.00 C ATOM 274 CD2 TYR A 19 10.796 -12.206 3.046 1.00 0.00 C ATOM 275 CE1 TYR A 19 10.667 -9.932 4.692 1.00 0.00 C ATOM 276 CE2 TYR A 19 11.807 -11.231 2.963 1.00 0.00 C ATOM 277 CZ TYR A 19 11.740 -10.084 3.786 1.00 0.00 C ATOM 278 OH TYR A 19 12.712 -9.132 3.727 1.00 0.00 O ATOM 0 H TYR A 19 10.570 -14.425 5.191 1.00 0.00 H new ATOM 0 HA TYR A 19 8.058 -13.222 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.851 -13.885 3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.690 -12.695 3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.849 -10.800 5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.841 -13.078 2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.615 -9.057 5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.629 -11.358 2.275 1.00 0.00 H new ATOM 0 HH TYR A 19 13.378 -9.386 3.055 1.00 0.00 H new ATOM 288 N CYS A 20 8.367 -16.286 4.993 1.00 0.00 N ATOM 289 CA CYS A 20 7.692 -17.592 4.878 1.00 0.00 C ATOM 290 C CYS A 20 7.320 -18.219 6.240 1.00 0.00 C ATOM 291 O CYS A 20 6.368 -19.000 6.326 1.00 0.00 O ATOM 292 CB CYS A 20 8.612 -18.577 4.146 1.00 0.00 C ATOM 293 SG CYS A 20 9.305 -18.046 2.562 1.00 0.00 S ATOM 0 H CYS A 20 9.371 -16.333 4.822 1.00 0.00 H new ATOM 0 HA CYS A 20 6.767 -17.408 4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.440 -18.823 4.811 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.054 -19.498 3.978 1.00 0.00 H new ATOM 298 N ASN A 21 8.095 -17.917 7.290 1.00 0.00 N ATOM 299 CA ASN A 21 8.071 -18.587 8.595 1.00 0.00 C ATOM 300 C ASN A 21 8.259 -17.606 9.775 1.00 0.00 C ATOM 301 O ASN A 21 7.466 -17.619 10.721 1.00 0.00 O ATOM 302 CB ASN A 21 9.188 -19.649 8.532 1.00 0.00 C ATOM 303 CG ASN A 21 9.320 -20.569 9.730 1.00 0.00 C ATOM 304 OD1 ASN A 21 8.494 -20.621 10.633 1.00 0.00 O ATOM 305 ND2 ASN A 21 10.368 -21.361 9.744 1.00 0.00 N ATOM 0 H ASN A 21 8.785 -17.167 7.250 1.00 0.00 H new ATOM 0 HA ASN A 21 7.098 -19.041 8.783 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.024 -20.264 7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.139 -19.135 8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.497 -22.023 10.509 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.053 -21.314 8.990 1.00 0.00 H new ATOM 312 N GLY A 22 9.263 -16.720 9.693 1.00 0.00 N ATOM 313 CA GLY A 22 9.620 -15.735 10.729 1.00 0.00 C ATOM 314 C GLY A 22 10.163 -16.368 12.012 1.00 0.00 C ATOM 315 O GLY A 22 9.652 -16.031 13.102 1.00 0.00 O ATOM 316 OXT GLY A 22 11.123 -17.166 11.924 1.00 0.00 O ATOM 0 H GLY A 22 9.871 -16.667 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.367 -15.051 10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.740 -15.139 10.971 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 1 25.016 -12.255 5.528 1.00 0.00 N ATOM 322 CA PHE B 1 25.315 -13.626 5.037 1.00 0.00 C ATOM 323 C PHE B 1 24.713 -13.840 3.646 1.00 0.00 C ATOM 324 O PHE B 1 23.629 -13.332 3.371 1.00 0.00 O ATOM 325 CB PHE B 1 24.831 -14.687 6.048 1.00 0.00 C ATOM 326 CG PHE B 1 25.085 -16.132 5.657 1.00 0.00 C ATOM 327 CD1 PHE B 1 26.392 -16.575 5.357 1.00 0.00 C ATOM 328 CD2 PHE B 1 24.015 -17.046 5.596 1.00 0.00 C ATOM 329 CE1 PHE B 1 26.615 -17.910 4.970 1.00 0.00 C ATOM 330 CE2 PHE B 1 24.243 -18.382 5.214 1.00 0.00 C ATOM 331 CZ PHE B 1 25.541 -18.811 4.892 1.00 0.00 C ATOM 0 H1 PHE B 1 24.655 -12.306 6.502 1.00 0.00 H new ATOM 0 H2 PHE B 1 25.884 -11.683 5.510 1.00 0.00 H new ATOM 0 H3 PHE B 1 24.299 -11.816 4.916 1.00 0.00 H new ATOM 0 HA PHE B 1 26.395 -13.739 4.946 1.00 0.00 H new ATOM 0 HB2 PHE B 1 25.316 -14.498 7.006 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.760 -14.554 6.202 1.00 0.00 H new ATOM 0 HD1 PHE B 1 27.222 -15.888 5.425 1.00 0.00 H new ATOM 0 HD2 PHE B 1 23.015 -16.721 5.843 1.00 0.00 H new ATOM 0 HE1 PHE B 1 27.615 -18.242 4.732 1.00 0.00 H new ATOM 0 HE2 PHE B 1 23.418 -19.078 5.169 1.00 0.00 H new ATOM 0 HZ PHE B 1 25.713 -19.832 4.585 1.00 0.00 H new ATOM 343 N VAL B 2 25.415 -14.584 2.773 1.00 0.00 N ATOM 344 CA VAL B 2 25.158 -14.771 1.323 1.00 0.00 C ATOM 345 C VAL B 2 25.141 -13.456 0.527 1.00 0.00 C ATOM 346 O VAL B 2 24.247 -12.622 0.670 1.00 0.00 O ATOM 347 CB VAL B 2 23.894 -15.612 1.028 1.00 0.00 C ATOM 348 CG1 VAL B 2 23.835 -16.026 -0.449 1.00 0.00 C ATOM 349 CG2 VAL B 2 23.838 -16.903 1.850 1.00 0.00 C ATOM 0 H VAL B 2 26.235 -15.109 3.077 1.00 0.00 H new ATOM 0 HA VAL B 2 26.016 -15.344 0.972 1.00 0.00 H new ATOM 0 HB VAL B 2 23.055 -14.969 1.293 1.00 0.00 H new ATOM 0 HG11 VAL B 2 22.936 -16.616 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL B 2 23.813 -15.135 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL B 2 24.714 -16.622 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL B 2 22.930 -17.453 1.602 1.00 0.00 H new ATOM 0 HG22 VAL B 2 24.709 -17.518 1.622 1.00 0.00 H new ATOM 0 HG23 VAL B 2 23.835 -16.658 2.912 1.00 0.00 H new ATOM 359 N ASN B 3 26.103 -13.286 -0.385 1.00 0.00 N ATOM 360 CA ASN B 3 26.204 -12.125 -1.280 1.00 0.00 C ATOM 361 C ASN B 3 25.235 -12.253 -2.476 1.00 0.00 C ATOM 362 O ASN B 3 25.643 -12.480 -3.618 1.00 0.00 O ATOM 363 CB ASN B 3 27.679 -11.926 -1.684 1.00 0.00 C ATOM 364 CG ASN B 3 27.929 -10.628 -2.448 1.00 0.00 C ATOM 365 OD1 ASN B 3 27.093 -9.737 -2.543 1.00 0.00 O ATOM 366 ND2 ASN B 3 29.108 -10.468 -3.006 1.00 0.00 N ATOM 0 H ASN B 3 26.850 -13.966 -0.526 1.00 0.00 H new ATOM 0 HA ASN B 3 25.887 -11.220 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN B 3 28.298 -11.936 -0.787 1.00 0.00 H new ATOM 0 HB3 ASN B 3 27.996 -12.768 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN B 3 29.320 -9.608 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN B 3 29.811 -11.203 -2.933 1.00 0.00 H new ATOM 373 N GLN B 4 23.935 -12.142 -2.190 1.00 0.00 N ATOM 374 CA GLN B 4 22.827 -12.270 -3.138 1.00 0.00 C ATOM 375 C GLN B 4 21.840 -11.120 -2.945 1.00 0.00 C ATOM 376 O GLN B 4 21.321 -10.923 -1.848 1.00 0.00 O ATOM 377 CB GLN B 4 22.149 -13.632 -2.911 1.00 0.00 C ATOM 378 CG GLN B 4 20.830 -13.842 -3.670 1.00 0.00 C ATOM 379 CD GLN B 4 20.220 -15.206 -3.353 1.00 0.00 C ATOM 380 OE1 GLN B 4 20.193 -16.116 -4.169 1.00 0.00 O ATOM 381 NE2 GLN B 4 19.711 -15.409 -2.157 1.00 0.00 N ATOM 0 H GLN B 4 23.611 -11.951 -1.242 1.00 0.00 H new ATOM 0 HA GLN B 4 23.194 -12.220 -4.163 1.00 0.00 H new ATOM 0 HB2 GLN B 4 22.845 -14.419 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN B 4 21.959 -13.752 -1.844 1.00 0.00 H new ATOM 0 HG2 GLN B 4 20.125 -13.055 -3.403 1.00 0.00 H new ATOM 0 HG3 GLN B 4 21.008 -13.761 -4.742 1.00 0.00 H new ATOM 0 HE21 GLN B 4 19.725 -14.661 -1.463 1.00 0.00 H new ATOM 0 HE22 GLN B 4 19.303 -16.314 -1.923 1.00 0.00 H new ATOM 390 N HIS B 5 21.535 -10.410 -4.026 1.00 0.00 N ATOM 391 CA HIS B 5 20.491 -9.392 -4.105 1.00 0.00 C ATOM 392 C HIS B 5 19.626 -9.612 -5.360 1.00 0.00 C ATOM 393 O HIS B 5 20.124 -10.034 -6.406 1.00 0.00 O ATOM 394 CB HIS B 5 21.119 -7.991 -4.062 1.00 0.00 C ATOM 395 CG HIS B 5 22.181 -7.740 -5.109 1.00 0.00 C ATOM 396 ND1 HIS B 5 23.544 -7.856 -4.930 1.00 0.00 N ATOM 397 CD2 HIS B 5 21.980 -7.352 -6.408 1.00 0.00 C ATOM 398 CE1 HIS B 5 24.146 -7.550 -6.090 1.00 0.00 C ATOM 399 NE2 HIS B 5 23.233 -7.229 -7.024 1.00 0.00 N ATOM 0 H HIS B 5 22.029 -10.533 -4.910 1.00 0.00 H new ATOM 0 HA HIS B 5 19.830 -9.477 -3.243 1.00 0.00 H new ATOM 0 HB2 HIS B 5 20.329 -7.250 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS B 5 21.556 -7.834 -3.076 1.00 0.00 H new ATOM 0 HD2 HIS B 5 21.023 -7.172 -6.875 1.00 0.00 H new ATOM 0 HE1 HIS B 5 25.214 -7.560 -6.251 1.00 0.00 H new ATOM 0 HE2 HIS B 5 23.416 -6.951 -7.988 1.00 0.00 H new ATOM 407 N LEU B 6 18.319 -9.367 -5.238 1.00 0.00 N ATOM 408 CA LEU B 6 17.284 -9.694 -6.230 1.00 0.00 C ATOM 409 C LEU B 6 16.180 -8.629 -6.208 1.00 0.00 C ATOM 410 O LEU B 6 15.872 -8.081 -5.152 1.00 0.00 O ATOM 411 CB LEU B 6 16.659 -11.060 -5.892 1.00 0.00 C ATOM 412 CG LEU B 6 17.585 -12.286 -5.982 1.00 0.00 C ATOM 413 CD1 LEU B 6 16.885 -13.486 -5.346 1.00 0.00 C ATOM 414 CD2 LEU B 6 17.913 -12.659 -7.426 1.00 0.00 C ATOM 0 H LEU B 6 17.933 -8.915 -4.409 1.00 0.00 H new ATOM 0 HA LEU B 6 17.743 -9.726 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.259 -11.010 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.814 -11.222 -6.561 1.00 0.00 H new ATOM 0 HG LEU B 6 18.511 -12.031 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.534 -14.360 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.666 -13.267 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.955 -13.688 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.569 -13.530 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.992 -12.892 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.413 -11.822 -7.913 1.00 0.00 H new ATOM 426 N CYS B 7 15.538 -8.377 -7.345 1.00 0.00 N ATOM 427 CA CYS B 7 14.416 -7.435 -7.447 1.00 0.00 C ATOM 428 C CYS B 7 13.345 -7.934 -8.432 1.00 0.00 C ATOM 429 O CYS B 7 13.620 -8.786 -9.284 1.00 0.00 O ATOM 430 CB CYS B 7 14.962 -6.053 -7.835 1.00 0.00 C ATOM 431 SG CYS B 7 14.104 -4.656 -7.051 1.00 0.00 S ATOM 0 H CYS B 7 15.780 -8.821 -8.231 1.00 0.00 H new ATOM 0 HA CYS B 7 13.919 -7.358 -6.480 1.00 0.00 H new ATOM 0 HB2 CYS B 7 16.019 -6.007 -7.573 1.00 0.00 H new ATOM 0 HB3 CYS B 7 14.897 -5.942 -8.917 1.00 0.00 H new ATOM 436 N GLY B 8 12.116 -7.422 -8.314 1.00 0.00 N ATOM 437 CA GLY B 8 10.985 -7.816 -9.167 1.00 0.00 C ATOM 438 C GLY B 8 10.660 -9.313 -9.086 1.00 0.00 C ATOM 439 O GLY B 8 10.784 -9.939 -8.029 1.00 0.00 O ATOM 0 H GLY B 8 11.874 -6.716 -7.619 1.00 0.00 H new ATOM 0 HA2 GLY B 8 10.104 -7.243 -8.878 1.00 0.00 H new ATOM 0 HA3 GLY B 8 11.210 -7.555 -10.201 1.00 0.00 H new ATOM 443 N SER B 9 10.266 -9.909 -10.215 1.00 0.00 N ATOM 444 CA SER B 9 9.893 -11.329 -10.307 1.00 0.00 C ATOM 445 C SER B 9 11.023 -12.302 -9.942 1.00 0.00 C ATOM 446 O SER B 9 10.732 -13.411 -9.499 1.00 0.00 O ATOM 447 CB SER B 9 9.363 -11.648 -11.711 1.00 0.00 C ATOM 448 OG SER B 9 10.320 -11.299 -12.701 1.00 0.00 O ATOM 0 H SER B 9 10.195 -9.415 -11.104 1.00 0.00 H new ATOM 0 HA SER B 9 9.112 -11.479 -9.562 1.00 0.00 H new ATOM 0 HB2 SER B 9 9.128 -12.710 -11.784 1.00 0.00 H new ATOM 0 HB3 SER B 9 8.435 -11.104 -11.887 1.00 0.00 H new ATOM 0 HG SER B 9 9.964 -11.512 -13.589 1.00 0.00 H new ATOM 454 N HIS B 10 12.296 -11.897 -10.039 1.00 0.00 N ATOM 455 CA HIS B 10 13.435 -12.717 -9.608 1.00 0.00 C ATOM 456 C HIS B 10 13.449 -12.916 -8.081 1.00 0.00 C ATOM 457 O HIS B 10 13.727 -14.012 -7.590 1.00 0.00 O ATOM 458 CB HIS B 10 14.749 -12.069 -10.068 1.00 0.00 C ATOM 459 CG HIS B 10 14.785 -11.655 -11.518 1.00 0.00 C ATOM 460 ND1 HIS B 10 14.553 -12.458 -12.614 1.00 0.00 N ATOM 461 CD2 HIS B 10 15.065 -10.400 -11.988 1.00 0.00 C ATOM 462 CE1 HIS B 10 14.686 -11.700 -13.717 1.00 0.00 C ATOM 463 NE2 HIS B 10 14.999 -10.433 -13.389 1.00 0.00 N ATOM 0 H HIS B 10 12.565 -10.990 -10.419 1.00 0.00 H new ATOM 0 HA HIS B 10 13.332 -13.700 -10.068 1.00 0.00 H new ATOM 0 HB2 HIS B 10 14.939 -11.191 -9.451 1.00 0.00 H new ATOM 0 HB3 HIS B 10 15.565 -12.769 -9.886 1.00 0.00 H new ATOM 0 HD2 HIS B 10 15.297 -9.535 -11.385 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.559 -12.059 -14.728 1.00 0.00 H new ATOM 0 HE2 HIS B 10 15.156 -9.655 -14.029 1.00 0.00 H new ATOM 471 N LEU B 11 13.095 -11.868 -7.324 1.00 0.00 N ATOM 472 CA LEU B 11 12.946 -11.927 -5.866 1.00 0.00 C ATOM 473 C LEU B 11 11.695 -12.724 -5.472 1.00 0.00 C ATOM 474 O LEU B 11 11.759 -13.531 -4.546 1.00 0.00 O ATOM 475 CB LEU B 11 12.928 -10.490 -5.315 1.00 0.00 C ATOM 476 CG LEU B 11 12.727 -10.386 -3.792 1.00 0.00 C ATOM 477 CD1 LEU B 11 13.766 -11.158 -2.979 1.00 0.00 C ATOM 478 CD2 LEU B 11 12.806 -8.921 -3.384 1.00 0.00 C ATOM 0 H LEU B 11 12.902 -10.945 -7.713 1.00 0.00 H new ATOM 0 HA LEU B 11 13.790 -12.456 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU B 11 13.867 -10.003 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU B 11 12.132 -9.935 -5.811 1.00 0.00 H new ATOM 0 HG LEU B 11 11.753 -10.826 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU B 11 13.559 -11.037 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU B 11 13.720 -12.215 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU B 11 14.761 -10.773 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU B 11 12.665 -8.835 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU B 11 13.783 -8.520 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU B 11 12.027 -8.358 -3.898 1.00 0.00 H new ATOM 490 N VAL B 12 10.584 -12.553 -6.205 1.00 0.00 N ATOM 491 CA VAL B 12 9.363 -13.351 -5.983 1.00 0.00 C ATOM 492 C VAL B 12 9.643 -14.835 -6.209 1.00 0.00 C ATOM 493 O VAL B 12 9.251 -15.647 -5.380 1.00 0.00 O ATOM 494 CB VAL B 12 8.181 -12.887 -6.857 1.00 0.00 C ATOM 495 CG1 VAL B 12 6.906 -13.698 -6.587 1.00 0.00 C ATOM 496 CG2 VAL B 12 7.847 -11.414 -6.591 1.00 0.00 C ATOM 0 H VAL B 12 10.504 -11.869 -6.958 1.00 0.00 H new ATOM 0 HA VAL B 12 9.070 -13.195 -4.945 1.00 0.00 H new ATOM 0 HB VAL B 12 8.498 -13.035 -7.889 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.101 -13.334 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL B 12 7.092 -14.750 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.618 -13.586 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL B 12 7.010 -11.111 -7.220 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.578 -11.285 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.715 -10.797 -6.821 1.00 0.00 H new ATOM 506 N GLU B 13 10.368 -15.205 -7.267 1.00 0.00 N ATOM 507 CA GLU B 13 10.733 -16.599 -7.553 1.00 0.00 C ATOM 508 C GLU B 13 11.643 -17.209 -6.473 1.00 0.00 C ATOM 509 O GLU B 13 11.369 -18.314 -6.005 1.00 0.00 O ATOM 510 CB GLU B 13 11.377 -16.677 -8.945 1.00 0.00 C ATOM 511 CG GLU B 13 11.685 -18.116 -9.377 1.00 0.00 C ATOM 512 CD GLU B 13 12.191 -18.158 -10.832 1.00 0.00 C ATOM 513 OE1 GLU B 13 13.413 -17.987 -11.062 1.00 0.00 O ATOM 514 OE2 GLU B 13 11.373 -18.368 -11.761 1.00 0.00 O ATOM 0 H GLU B 13 10.722 -14.542 -7.956 1.00 0.00 H new ATOM 0 HA GLU B 13 9.822 -17.198 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.710 -16.218 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.300 -16.097 -8.947 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.436 -18.546 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.788 -18.728 -9.282 1.00 0.00 H new ATOM 521 N ALA B 14 12.673 -16.492 -6.011 1.00 0.00 N ATOM 522 CA ALA B 14 13.518 -16.954 -4.907 1.00 0.00 C ATOM 523 C ALA B 14 12.713 -17.141 -3.609 1.00 0.00 C ATOM 524 O ALA B 14 12.839 -18.171 -2.948 1.00 0.00 O ATOM 525 CB ALA B 14 14.670 -15.968 -4.718 1.00 0.00 C ATOM 0 H ALA B 14 12.942 -15.583 -6.388 1.00 0.00 H new ATOM 0 HA ALA B 14 13.923 -17.935 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA B 14 15.305 -16.303 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA B 14 15.258 -15.916 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA B 14 14.270 -14.981 -4.487 1.00 0.00 H new ATOM 531 N LEU B 15 11.830 -16.195 -3.279 1.00 0.00 N ATOM 532 CA LEU B 15 10.928 -16.294 -2.135 1.00 0.00 C ATOM 533 C LEU B 15 9.934 -17.454 -2.293 1.00 0.00 C ATOM 534 O LEU B 15 9.689 -18.167 -1.326 1.00 0.00 O ATOM 535 CB LEU B 15 10.243 -14.930 -1.924 1.00 0.00 C ATOM 536 CG LEU B 15 9.376 -14.835 -0.654 1.00 0.00 C ATOM 537 CD1 LEU B 15 10.159 -15.179 0.607 1.00 0.00 C ATOM 538 CD2 LEU B 15 8.844 -13.411 -0.489 1.00 0.00 C ATOM 0 H LEU B 15 11.722 -15.329 -3.807 1.00 0.00 H new ATOM 0 HA LEU B 15 11.497 -16.531 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU B 15 11.010 -14.156 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.618 -14.714 -2.791 1.00 0.00 H new ATOM 0 HG LEU B 15 8.564 -15.552 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU B 15 9.505 -15.098 1.475 1.00 0.00 H new ATOM 0 HD12 LEU B 15 10.539 -16.198 0.533 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.995 -14.488 0.716 1.00 0.00 H new ATOM 0 HD21 LEU B 15 8.232 -13.353 0.411 1.00 0.00 H new ATOM 0 HD22 LEU B 15 9.681 -12.718 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU B 15 8.239 -13.146 -1.356 1.00 0.00 H new ATOM 550 N TYR B 16 9.438 -17.728 -3.502 1.00 0.00 N ATOM 551 CA TYR B 16 8.566 -18.874 -3.804 1.00 0.00 C ATOM 552 C TYR B 16 9.281 -20.210 -3.556 1.00 0.00 C ATOM 553 O TYR B 16 8.725 -21.104 -2.914 1.00 0.00 O ATOM 554 CB TYR B 16 8.061 -18.766 -5.257 1.00 0.00 C ATOM 555 CG TYR B 16 6.723 -19.426 -5.529 1.00 0.00 C ATOM 556 CD1 TYR B 16 6.595 -20.831 -5.501 1.00 0.00 C ATOM 557 CD2 TYR B 16 5.602 -18.629 -5.831 1.00 0.00 C ATOM 558 CE1 TYR B 16 5.347 -21.434 -5.739 1.00 0.00 C ATOM 559 CE2 TYR B 16 4.350 -19.229 -6.072 1.00 0.00 C ATOM 560 CZ TYR B 16 4.217 -20.635 -6.022 1.00 0.00 C ATOM 561 OH TYR B 16 3.012 -21.229 -6.253 1.00 0.00 O ATOM 0 H TYR B 16 9.634 -17.149 -4.318 1.00 0.00 H new ATOM 0 HA TYR B 16 7.710 -18.849 -3.130 1.00 0.00 H new ATOM 0 HB2 TYR B 16 7.987 -17.711 -5.521 1.00 0.00 H new ATOM 0 HB3 TYR B 16 8.807 -19.209 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR B 16 7.459 -21.446 -5.296 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.702 -17.555 -5.878 1.00 0.00 H new ATOM 0 HE1 TYR B 16 5.252 -22.509 -5.705 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.491 -18.614 -6.295 1.00 0.00 H new ATOM 0 HH TYR B 16 2.337 -20.541 -6.431 1.00 0.00 H new ATOM 571 N LEU B 17 10.533 -20.336 -4.012 1.00 0.00 N ATOM 572 CA LEU B 17 11.363 -21.527 -3.806 1.00 0.00 C ATOM 573 C LEU B 17 11.759 -21.728 -2.331 1.00 0.00 C ATOM 574 O LEU B 17 11.829 -22.872 -1.873 1.00 0.00 O ATOM 575 CB LEU B 17 12.598 -21.462 -4.726 1.00 0.00 C ATOM 576 CG LEU B 17 12.413 -22.174 -6.083 1.00 0.00 C ATOM 577 CD1 LEU B 17 11.254 -21.642 -6.930 1.00 0.00 C ATOM 578 CD2 LEU B 17 13.693 -22.034 -6.908 1.00 0.00 C ATOM 0 H LEU B 17 11.004 -19.603 -4.542 1.00 0.00 H new ATOM 0 HA LEU B 17 10.769 -22.401 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU B 17 12.847 -20.417 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.447 -21.907 -4.208 1.00 0.00 H new ATOM 0 HG LEU B 17 12.183 -23.211 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU B 17 11.200 -22.201 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU B 17 10.319 -21.760 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU B 17 11.417 -20.586 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU B 17 13.565 -22.536 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU B 17 13.903 -20.978 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU B 17 14.525 -22.488 -6.369 1.00 0.00 H new ATOM 590 N VAL B 18 11.961 -20.646 -1.571 1.00 0.00 N ATOM 591 CA VAL B 18 12.194 -20.701 -0.116 1.00 0.00 C ATOM 592 C VAL B 18 10.903 -21.041 0.640 1.00 0.00 C ATOM 593 O VAL B 18 10.923 -21.895 1.527 1.00 0.00 O ATOM 594 CB VAL B 18 12.860 -19.396 0.384 1.00 0.00 C ATOM 595 CG1 VAL B 18 12.950 -19.344 1.910 1.00 0.00 C ATOM 596 CG2 VAL B 18 14.301 -19.308 -0.139 1.00 0.00 C ATOM 0 H VAL B 18 11.968 -19.698 -1.948 1.00 0.00 H new ATOM 0 HA VAL B 18 12.893 -21.510 0.094 1.00 0.00 H new ATOM 0 HB VAL B 18 12.241 -18.576 0.020 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.424 -18.411 2.215 1.00 0.00 H new ATOM 0 HG12 VAL B 18 11.948 -19.398 2.336 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.542 -20.186 2.268 1.00 0.00 H new ATOM 0 HG21 VAL B 18 14.762 -18.387 0.218 1.00 0.00 H new ATOM 0 HG22 VAL B 18 14.872 -20.163 0.223 1.00 0.00 H new ATOM 0 HG23 VAL B 18 14.293 -19.312 -1.229 1.00 0.00 H new ATOM 606 N CYS B 19 9.757 -20.460 0.268 1.00 0.00 N ATOM 607 CA CYS B 19 8.469 -20.730 0.914 1.00 0.00 C ATOM 608 C CYS B 19 7.899 -22.122 0.573 1.00 0.00 C ATOM 609 O CYS B 19 7.166 -22.680 1.386 1.00 0.00 O ATOM 610 CB CYS B 19 7.456 -19.620 0.586 1.00 0.00 C ATOM 611 SG CYS B 19 7.729 -17.956 1.276 1.00 0.00 S ATOM 0 H CYS B 19 9.697 -19.785 -0.495 1.00 0.00 H new ATOM 0 HA CYS B 19 8.653 -20.734 1.988 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.410 -19.525 -0.499 1.00 0.00 H new ATOM 0 HB3 CYS B 19 6.475 -19.959 0.918 1.00 0.00 H new ATOM 616 N GLY B 20 8.241 -22.725 -0.568 1.00 0.00 N ATOM 617 CA GLY B 20 7.927 -24.133 -0.867 1.00 0.00 C ATOM 618 C GLY B 20 6.424 -24.453 -0.850 1.00 0.00 C ATOM 619 O GLY B 20 6.013 -25.460 -0.276 1.00 0.00 O ATOM 0 H GLY B 20 8.746 -22.252 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.331 -24.385 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.432 -24.770 -0.141 1.00 0.00 H new ATOM 623 N GLU B 21 5.600 -23.569 -1.426 1.00 0.00 N ATOM 624 CA GLU B 21 4.125 -23.651 -1.464 1.00 0.00 C ATOM 625 C GLU B 21 3.407 -23.610 -0.090 1.00 0.00 C ATOM 626 O GLU B 21 2.206 -23.889 -0.007 1.00 0.00 O ATOM 627 CB GLU B 21 3.652 -24.813 -2.360 1.00 0.00 C ATOM 628 CG GLU B 21 4.116 -24.683 -3.816 1.00 0.00 C ATOM 629 CD GLU B 21 3.577 -25.849 -4.663 1.00 0.00 C ATOM 630 OE1 GLU B 21 2.433 -25.759 -5.172 1.00 0.00 O ATOM 631 OE2 GLU B 21 4.296 -26.863 -4.840 1.00 0.00 O ATOM 0 H GLU B 21 5.954 -22.738 -1.901 1.00 0.00 H new ATOM 0 HA GLU B 21 3.807 -22.715 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.022 -25.753 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.563 -24.862 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.771 -23.736 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.205 -24.670 -3.856 1.00 0.00 H new ATOM 638 N ARG B 22 4.089 -23.187 0.988 1.00 0.00 N ATOM 639 CA ARG B 22 3.472 -22.892 2.304 1.00 0.00 C ATOM 640 C ARG B 22 2.568 -21.645 2.303 1.00 0.00 C ATOM 641 O ARG B 22 1.777 -21.467 3.231 1.00 0.00 O ATOM 642 CB ARG B 22 4.559 -22.770 3.392 1.00 0.00 C ATOM 643 CG ARG B 22 5.206 -24.129 3.725 1.00 0.00 C ATOM 644 CD ARG B 22 6.359 -23.980 4.728 1.00 0.00 C ATOM 645 NE ARG B 22 7.551 -23.397 4.089 1.00 0.00 N ATOM 646 CZ ARG B 22 8.520 -22.705 4.655 1.00 0.00 C ATOM 647 NH1 ARG B 22 8.559 -22.405 5.917 1.00 0.00 N ATOM 648 NH2 ARG B 22 9.520 -22.254 3.966 1.00 0.00 N ATOM 0 H ARG B 22 5.098 -23.037 0.975 1.00 0.00 H new ATOM 0 HA ARG B 22 2.819 -23.736 2.528 1.00 0.00 H new ATOM 0 HB2 ARG B 22 5.329 -22.075 3.057 1.00 0.00 H new ATOM 0 HB3 ARG B 22 4.120 -22.348 4.296 1.00 0.00 H new ATOM 0 HG2 ARG B 22 4.452 -24.800 4.135 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.578 -24.589 2.809 1.00 0.00 H new ATOM 0 HD2 ARG B 22 6.043 -23.348 5.558 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.608 -24.955 5.147 1.00 0.00 H new ATOM 0 HE ARG B 22 7.638 -23.547 3.084 1.00 0.00 H new ATOM 0 HH11 ARG B 22 7.808 -22.709 6.537 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.341 -21.865 6.289 1.00 0.00 H new ATOM 0 HH21 ARG B 22 9.570 -22.432 2.963 1.00 0.00 H new ATOM 0 HH22 ARG B 22 10.258 -21.721 4.427 1.00 0.00 H new ATOM 662 N GLY B 23 2.652 -20.811 1.260 1.00 0.00 N ATOM 663 CA GLY B 23 1.859 -19.592 1.064 1.00 0.00 C ATOM 664 C GLY B 23 2.496 -18.337 1.677 1.00 0.00 C ATOM 665 O GLY B 23 2.984 -18.354 2.810 1.00 0.00 O ATOM 0 H GLY B 23 3.305 -20.975 0.494 1.00 0.00 H new ATOM 0 HA2 GLY B 23 1.715 -19.431 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY B 23 0.871 -19.738 1.501 1.00 0.00 H new ATOM 669 N PHE B 24 2.505 -17.247 0.907 1.00 0.00 N ATOM 670 CA PHE B 24 3.084 -15.943 1.263 1.00 0.00 C ATOM 671 C PHE B 24 2.463 -14.808 0.424 1.00 0.00 C ATOM 672 O PHE B 24 1.716 -15.057 -0.528 1.00 0.00 O ATOM 673 CB PHE B 24 4.616 -15.983 1.080 1.00 0.00 C ATOM 674 CG PHE B 24 5.112 -16.067 -0.356 1.00 0.00 C ATOM 675 CD1 PHE B 24 5.056 -17.287 -1.058 1.00 0.00 C ATOM 676 CD2 PHE B 24 5.648 -14.926 -0.988 1.00 0.00 C ATOM 677 CE1 PHE B 24 5.519 -17.365 -2.384 1.00 0.00 C ATOM 678 CE2 PHE B 24 6.129 -15.013 -2.307 1.00 0.00 C ATOM 679 CZ PHE B 24 6.065 -16.229 -3.007 1.00 0.00 C ATOM 0 H PHE B 24 2.091 -17.246 -0.025 1.00 0.00 H new ATOM 0 HA PHE B 24 2.857 -15.739 2.309 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.041 -15.090 1.539 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.006 -16.840 1.629 1.00 0.00 H new ATOM 0 HD1 PHE B 24 4.656 -18.167 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.689 -13.985 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE B 24 5.455 -18.298 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.550 -14.140 -2.784 1.00 0.00 H new ATOM 0 HZ PHE B 24 6.434 -16.291 -4.020 1.00 0.00 H new ATOM 689 N PHE B 25 2.783 -13.560 0.771 1.00 0.00 N ATOM 690 CA PHE B 25 2.406 -12.350 0.026 1.00 0.00 C ATOM 691 C PHE B 25 3.626 -11.434 -0.162 1.00 0.00 C ATOM 692 O PHE B 25 4.472 -11.337 0.728 1.00 0.00 O ATOM 693 CB PHE B 25 1.265 -11.638 0.766 1.00 0.00 C ATOM 694 CG PHE B 25 0.815 -10.344 0.115 1.00 0.00 C ATOM 695 CD1 PHE B 25 0.005 -10.374 -1.037 1.00 0.00 C ATOM 696 CD2 PHE B 25 1.230 -9.106 0.645 1.00 0.00 C ATOM 697 CE1 PHE B 25 -0.404 -9.174 -1.646 1.00 0.00 C ATOM 698 CE2 PHE B 25 0.818 -7.908 0.039 1.00 0.00 C ATOM 699 CZ PHE B 25 0.001 -7.942 -1.105 1.00 0.00 C ATOM 0 H PHE B 25 3.330 -13.353 1.606 1.00 0.00 H new ATOM 0 HA PHE B 25 2.054 -12.622 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE B 25 0.412 -12.314 0.833 1.00 0.00 H new ATOM 0 HB3 PHE B 25 1.585 -11.427 1.786 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -0.303 -11.321 -1.454 1.00 0.00 H new ATOM 0 HD2 PHE B 25 1.865 -9.078 1.518 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -1.028 -9.199 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE B 25 1.129 -6.960 0.452 1.00 0.00 H new ATOM 0 HZ PHE B 25 -0.316 -7.019 -1.569 1.00 0.00 H new ATOM 709 N TYR B 26 3.723 -10.780 -1.324 1.00 0.00 N ATOM 710 CA TYR B 26 4.917 -10.042 -1.758 1.00 0.00 C ATOM 711 C TYR B 26 4.647 -8.666 -2.398 1.00 0.00 C ATOM 712 O TYR B 26 5.581 -7.869 -2.534 1.00 0.00 O ATOM 713 CB TYR B 26 5.684 -10.939 -2.740 1.00 0.00 C ATOM 714 CG TYR B 26 4.903 -11.332 -3.985 1.00 0.00 C ATOM 715 CD1 TYR B 26 4.889 -10.483 -5.109 1.00 0.00 C ATOM 716 CD2 TYR B 26 4.174 -12.539 -4.010 1.00 0.00 C ATOM 717 CE1 TYR B 26 4.163 -10.846 -6.260 1.00 0.00 C ATOM 718 CE2 TYR B 26 3.444 -12.905 -5.157 1.00 0.00 C ATOM 719 CZ TYR B 26 3.437 -12.058 -6.290 1.00 0.00 C ATOM 720 OH TYR B 26 2.740 -12.401 -7.408 1.00 0.00 O ATOM 0 H TYR B 26 2.962 -10.747 -2.002 1.00 0.00 H new ATOM 0 HA TYR B 26 5.493 -9.813 -0.862 1.00 0.00 H new ATOM 0 HB2 TYR B 26 6.594 -10.424 -3.046 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.991 -11.846 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR B 26 5.436 -9.552 -5.088 1.00 0.00 H new ATOM 0 HD2 TYR B 26 4.176 -13.186 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR B 26 4.161 -10.196 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR B 26 2.890 -13.832 -5.172 1.00 0.00 H new ATOM 0 HH TYR B 26 2.297 -13.264 -7.266 1.00 0.00 H new ATOM 730 N THR B 27 3.410 -8.365 -2.811 1.00 0.00 N ATOM 731 CA THR B 27 3.111 -7.171 -3.630 1.00 0.00 C ATOM 732 C THR B 27 3.179 -5.871 -2.803 1.00 0.00 C ATOM 733 O THR B 27 2.478 -5.763 -1.794 1.00 0.00 O ATOM 734 CB THR B 27 1.730 -7.290 -4.306 1.00 0.00 C ATOM 735 OG1 THR B 27 1.531 -8.599 -4.812 1.00 0.00 O ATOM 736 CG2 THR B 27 1.588 -6.331 -5.489 1.00 0.00 C ATOM 0 H THR B 27 2.591 -8.933 -2.593 1.00 0.00 H new ATOM 0 HA THR B 27 3.879 -7.121 -4.402 1.00 0.00 H new ATOM 0 HB THR B 27 0.995 -7.047 -3.538 1.00 0.00 H new ATOM 0 HG1 THR B 27 0.649 -8.655 -5.236 1.00 0.00 H new ATOM 0 HG21 THR B 27 0.601 -6.448 -5.936 1.00 0.00 H new ATOM 0 HG22 THR B 27 1.710 -5.305 -5.142 1.00 0.00 H new ATOM 0 HG23 THR B 27 2.352 -6.556 -6.233 1.00 0.00 H new ATOM 744 N PRO B 28 3.962 -4.850 -3.212 1.00 0.00 N ATOM 745 CA PRO B 28 4.091 -3.597 -2.452 1.00 0.00 C ATOM 746 C PRO B 28 2.881 -2.654 -2.598 1.00 0.00 C ATOM 747 O PRO B 28 2.648 -1.827 -1.714 1.00 0.00 O ATOM 748 CB PRO B 28 5.387 -2.957 -2.964 1.00 0.00 C ATOM 749 CG PRO B 28 5.483 -3.454 -4.406 1.00 0.00 C ATOM 750 CD PRO B 28 4.901 -4.862 -4.330 1.00 0.00 C ATOM 0 HA PRO B 28 4.122 -3.798 -1.381 1.00 0.00 H new ATOM 0 HB2 PRO B 28 5.344 -1.869 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO B 28 6.249 -3.268 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO B 28 4.916 -2.821 -5.089 1.00 0.00 H new ATOM 0 HG3 PRO B 28 6.514 -3.463 -4.761 1.00 0.00 H new ATOM 0 HD2 PRO B 28 4.397 -5.127 -5.260 1.00 0.00 H new ATOM 0 HD3 PRO B 28 5.687 -5.601 -4.172 1.00 0.00 H new ATOM 758 N LYS B 29 2.098 -2.789 -3.682 1.00 0.00 N ATOM 759 CA LYS B 29 0.881 -2.011 -4.011 1.00 0.00 C ATOM 760 C LYS B 29 1.092 -0.488 -3.921 1.00 0.00 C ATOM 761 O LYS B 29 1.660 0.094 -4.845 1.00 0.00 O ATOM 762 CB LYS B 29 -0.346 -2.541 -3.230 1.00 0.00 C ATOM 763 CG LYS B 29 -0.667 -4.008 -3.561 1.00 0.00 C ATOM 764 CD LYS B 29 -1.901 -4.554 -2.824 1.00 0.00 C ATOM 765 CE LYS B 29 -3.201 -3.867 -3.265 1.00 0.00 C ATOM 766 NZ LYS B 29 -4.392 -4.467 -2.607 1.00 0.00 N ATOM 0 H LYS B 29 2.306 -3.485 -4.398 1.00 0.00 H new ATOM 0 HA LYS B 29 0.658 -2.174 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -0.160 -2.446 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -1.213 -1.922 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -0.826 -4.102 -4.635 1.00 0.00 H new ATOM 0 HG3 LYS B 29 0.196 -4.625 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -1.982 -5.626 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -1.768 -4.419 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -3.150 -2.805 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -3.305 -3.946 -4.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -5.251 -3.977 -2.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -4.455 -5.475 -2.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -4.305 -4.369 -1.575 1.00 0.00 H new ATOM 780 N THR B 30 0.643 0.145 -2.830 1.00 0.00 N ATOM 781 CA THR B 30 0.850 1.570 -2.478 1.00 0.00 C ATOM 782 C THR B 30 0.515 2.579 -3.602 1.00 0.00 C ATOM 783 O THR B 30 1.190 3.596 -3.807 1.00 0.00 O ATOM 784 CB THR B 30 2.198 1.764 -1.747 1.00 0.00 C ATOM 785 OG1 THR B 30 2.207 2.998 -1.054 1.00 0.00 O ATOM 786 CG2 THR B 30 3.460 1.666 -2.605 1.00 0.00 C ATOM 0 H THR B 30 0.093 -0.345 -2.124 1.00 0.00 H new ATOM 0 HA THR B 30 0.085 1.842 -1.750 1.00 0.00 H new ATOM 0 HB THR B 30 2.248 0.913 -1.068 1.00 0.00 H new ATOM 0 HG1 THR B 30 1.978 3.722 -1.673 1.00 0.00 H new ATOM 0 HG21 THR B 30 4.339 1.820 -1.979 1.00 0.00 H new ATOM 0 HG22 THR B 30 3.511 0.680 -3.066 1.00 0.00 H new ATOM 0 HG23 THR B 30 3.431 2.429 -3.383 1.00 0.00 H new ATOM 794 N LYS B 31 -0.556 2.289 -4.358 1.00 0.00 N ATOM 795 CA LYS B 31 -1.042 3.076 -5.511 1.00 0.00 C ATOM 796 C LYS B 31 -2.581 3.095 -5.573 1.00 0.00 C ATOM 797 O LYS B 31 -3.217 2.075 -5.291 1.00 0.00 O ATOM 798 CB LYS B 31 -0.426 2.485 -6.797 1.00 0.00 C ATOM 799 CG LYS B 31 -0.693 3.269 -8.097 1.00 0.00 C ATOM 800 CD LYS B 31 -0.033 4.656 -8.107 1.00 0.00 C ATOM 801 CE LYS B 31 -0.279 5.343 -9.460 1.00 0.00 C ATOM 802 NZ LYS B 31 0.378 6.676 -9.524 1.00 0.00 N ATOM 0 H LYS B 31 -1.133 1.467 -4.178 1.00 0.00 H new ATOM 0 HA LYS B 31 -0.730 4.115 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.652 2.408 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -0.804 1.471 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -0.325 2.692 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.769 3.383 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -0.438 5.267 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.038 4.560 -7.927 1.00 0.00 H new ATOM 0 HE2 LYS B 31 0.099 4.711 -10.264 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -1.351 5.457 -9.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.191 7.111 -10.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -0.001 7.286 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.404 6.564 -9.395 1.00 0.00 H new ATOM 816 N ARG B 32 -3.153 4.247 -5.964 1.00 0.00 N ATOM 817 CA ARG B 32 -4.597 4.543 -6.099 1.00 0.00 C ATOM 818 C ARG B 32 -5.427 4.089 -4.877 1.00 0.00 C ATOM 819 O ARG B 32 -5.259 4.715 -3.805 1.00 0.00 O ATOM 820 CB ARG B 32 -5.103 4.055 -7.473 1.00 0.00 C ATOM 821 CG ARG B 32 -6.449 4.690 -7.869 1.00 0.00 C ATOM 822 CD ARG B 32 -6.897 4.214 -9.259 1.00 0.00 C ATOM 823 NE ARG B 32 -8.182 4.821 -9.646 1.00 0.00 N ATOM 824 CZ ARG B 32 -8.832 4.629 -10.778 1.00 0.00 C ATOM 825 NH1 ARG B 32 -8.388 3.837 -11.716 1.00 0.00 N ATOM 826 NH2 ARG B 32 -9.964 5.234 -10.991 1.00 0.00 N ATOM 827 OXT ARG B 32 -6.245 3.144 -4.979 1.00 0.00 O ATOM 0 H ARG B 32 -2.582 5.055 -6.212 1.00 0.00 H new ATOM 0 HA ARG B 32 -4.744 5.623 -6.088 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -4.358 4.288 -8.234 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -5.209 2.970 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -7.208 4.431 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -6.357 5.776 -7.865 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -6.135 4.470 -9.996 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -6.991 3.128 -9.261 1.00 0.00 H new ATOM 0 HE ARG B 32 -8.613 5.453 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -7.507 3.339 -11.588 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -8.922 3.716 -12.577 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -10.350 5.858 -10.282 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -10.465 5.085 -11.867 1.00 0.00 H new TER 841 ARG B 32