USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot 180:sc= -0.037 USER MOD Set 1.2: A 49 GLN :FLIP amide:sc= -0.374 F(o=-0.97,f=-0.41) USER MOD Set 2.1: A 32 ASN : amide:sc= -4.73! C(o=-6.7!,f=-8.5!) USER MOD Set 2.2: A 69 MET CE :methyl -153:sc= -1.95 (180deg=-1.32!) USER MOD Set 3.1: A 8 SER OG : rot -141:sc= 0.852 USER MOD Set 3.2: A 16 ASN :FLIP amide:sc= -0.53 F(o=-2,f=0.32) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.755 (180deg=-0.0181) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00827) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -150:sc= -0.647 USER MOD Single : A 11 HIS : no HD1:sc= -0.73 X(o=-0.73,f=-0.97) USER MOD Single : A 13 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.05 K(o=-2.1,f=-3.2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0397 (180deg=-0.308) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 4:sc= 0.592! USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 47:sc= 1.15 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 70 ASN : amide:sc= -0.0241 K(o=-0.024,f=-1) USER MOD Single : A 73 SER OG : rot -38:sc= -0.0591 USER MOD Single : A 77 ASN : amide:sc= -0.0287 K(o=-0.029,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.261 1.617 -2.050 1.00 23.41 N ATOM 2 CA MET A 1 2.187 0.553 -1.055 1.00 11.11 C ATOM 3 C MET A 1 3.192 -0.552 -1.364 1.00 3.33 C ATOM 4 O MET A 1 3.504 -0.815 -2.525 1.00 41.34 O ATOM 5 CB MET A 1 0.773 -0.028 -1.003 1.00 73.21 C ATOM 6 CG MET A 1 0.337 -0.684 -2.303 1.00 65.53 C ATOM 7 SD MET A 1 -0.486 0.466 -3.420 1.00 54.35 S ATOM 8 CE MET A 1 -2.198 -0.010 -3.195 1.00 72.23 C ATOM 0 H1 MET A 1 2.321 2.538 -1.570 1.00 23.41 H new ATOM 0 H2 MET A 1 3.104 1.480 -2.643 1.00 23.41 H new ATOM 0 H3 MET A 1 1.410 1.593 -2.648 1.00 23.41 H new ATOM 0 HA MET A 1 2.432 0.981 -0.083 1.00 11.11 H new ATOM 0 HB2 MET A 1 0.720 -0.763 -0.199 1.00 73.21 H new ATOM 0 HB3 MET A 1 0.071 0.768 -0.754 1.00 73.21 H new ATOM 0 HG2 MET A 1 1.209 -1.108 -2.802 1.00 65.53 H new ATOM 0 HG3 MET A 1 -0.336 -1.512 -2.080 1.00 65.53 H new ATOM 0 HE1 MET A 1 -2.835 0.614 -3.823 1.00 72.23 H new ATOM 0 HE2 MET A 1 -2.325 -1.056 -3.475 1.00 72.23 H new ATOM 0 HE3 MET A 1 -2.478 0.122 -2.150 1.00 72.23 H new ATOM 18 N LYS A 2 3.697 -1.196 -0.317 1.00 2.41 N ATOM 19 CA LYS A 2 4.667 -2.273 -0.475 1.00 52.15 C ATOM 20 C LYS A 2 4.142 -3.571 0.130 1.00 51.12 C ATOM 21 O LYS A 2 4.462 -3.910 1.269 1.00 34.04 O ATOM 22 CB LYS A 2 5.995 -1.892 0.182 1.00 43.02 C ATOM 23 CG LYS A 2 5.856 -0.846 1.274 1.00 54.31 C ATOM 24 CD LYS A 2 5.079 -1.383 2.464 1.00 11.55 C ATOM 25 CE LYS A 2 4.760 -0.282 3.464 1.00 1.43 C ATOM 26 NZ LYS A 2 3.643 0.586 2.997 1.00 22.52 N ATOM 0 H LYS A 2 3.450 -0.990 0.651 1.00 2.41 H new ATOM 0 HA LYS A 2 4.828 -2.429 -1.542 1.00 52.15 H new ATOM 0 HB2 LYS A 2 6.452 -2.787 0.604 1.00 43.02 H new ATOM 0 HB3 LYS A 2 6.675 -1.518 -0.583 1.00 43.02 H new ATOM 0 HG2 LYS A 2 6.845 -0.524 1.599 1.00 54.31 H new ATOM 0 HG3 LYS A 2 5.350 0.033 0.875 1.00 54.31 H new ATOM 0 HD2 LYS A 2 4.153 -1.841 2.118 1.00 11.55 H new ATOM 0 HD3 LYS A 2 5.658 -2.165 2.955 1.00 11.55 H new ATOM 0 HE2 LYS A 2 4.497 -0.728 4.423 1.00 1.43 H new ATOM 0 HE3 LYS A 2 5.649 0.327 3.629 1.00 1.43 H new ATOM 0 HZ1 LYS A 2 3.411 1.281 3.735 1.00 22.52 H new ATOM 0 HZ2 LYS A 2 3.930 1.084 2.130 1.00 22.52 H new ATOM 0 HZ3 LYS A 2 2.807 -0.000 2.799 1.00 22.52 H new ATOM 40 N PHE A 3 3.336 -4.294 -0.640 1.00 73.14 N ATOM 41 CA PHE A 3 2.767 -5.555 -0.180 1.00 20.41 C ATOM 42 C PHE A 3 2.694 -6.567 -1.320 1.00 34.22 C ATOM 43 O PHE A 3 1.950 -6.379 -2.283 1.00 64.35 O ATOM 44 CB PHE A 3 1.372 -5.327 0.405 1.00 53.11 C ATOM 45 CG PHE A 3 0.840 -6.507 1.166 1.00 21.53 C ATOM 46 CD1 PHE A 3 1.156 -6.685 2.504 1.00 62.44 C ATOM 47 CD2 PHE A 3 0.024 -7.439 0.545 1.00 50.10 C ATOM 48 CE1 PHE A 3 0.669 -7.771 3.206 1.00 30.31 C ATOM 49 CE2 PHE A 3 -0.467 -8.527 1.243 1.00 44.44 C ATOM 50 CZ PHE A 3 -0.144 -8.692 2.575 1.00 34.33 C ATOM 0 H PHE A 3 3.062 -4.028 -1.586 1.00 73.14 H new ATOM 0 HA PHE A 3 3.418 -5.956 0.597 1.00 20.41 H new ATOM 0 HB2 PHE A 3 1.402 -4.462 1.067 1.00 53.11 H new ATOM 0 HB3 PHE A 3 0.683 -5.086 -0.404 1.00 53.11 H new ATOM 0 HD1 PHE A 3 1.790 -5.967 3.003 1.00 62.44 H new ATOM 0 HD2 PHE A 3 -0.232 -7.314 -0.497 1.00 50.10 H new ATOM 0 HE1 PHE A 3 0.924 -7.900 4.248 1.00 30.31 H new ATOM 0 HE2 PHE A 3 -1.102 -9.246 0.747 1.00 44.44 H new ATOM 0 HZ PHE A 3 -0.527 -9.540 3.123 1.00 34.33 H new ATOM 60 N ILE A 4 3.470 -7.639 -1.202 1.00 71.13 N ATOM 61 CA ILE A 4 3.493 -8.681 -2.222 1.00 13.42 C ATOM 62 C ILE A 4 3.427 -10.068 -1.592 1.00 42.10 C ATOM 63 O ILE A 4 3.805 -10.256 -0.435 1.00 42.54 O ATOM 64 CB ILE A 4 4.757 -8.585 -3.096 1.00 22.11 C ATOM 65 CG1 ILE A 4 4.977 -7.143 -3.558 1.00 33.04 C ATOM 66 CG2 ILE A 4 4.646 -9.519 -4.292 1.00 0.12 C ATOM 67 CD1 ILE A 4 3.883 -6.626 -4.466 1.00 21.21 C ATOM 0 H ILE A 4 4.091 -7.809 -0.411 1.00 71.13 H new ATOM 0 HA ILE A 4 2.615 -8.528 -2.850 1.00 13.42 H new ATOM 0 HB ILE A 4 5.617 -8.890 -2.500 1.00 22.11 H new ATOM 0 HG12 ILE A 4 5.048 -6.497 -2.683 1.00 33.04 H new ATOM 0 HG13 ILE A 4 5.932 -7.079 -4.080 1.00 33.04 H new ATOM 0 HG21 ILE A 4 5.547 -9.440 -4.900 1.00 0.12 H new ATOM 0 HG22 ILE A 4 4.533 -10.545 -3.943 1.00 0.12 H new ATOM 0 HG23 ILE A 4 3.778 -9.242 -4.891 1.00 0.12 H new ATOM 0 HD11 ILE A 4 4.105 -5.598 -4.754 1.00 21.21 H new ATOM 0 HD12 ILE A 4 3.826 -7.249 -5.359 1.00 21.21 H new ATOM 0 HD13 ILE A 4 2.929 -6.658 -3.940 1.00 21.21 H new ATOM 79 N LYS A 5 2.946 -11.039 -2.361 1.00 45.33 N ATOM 80 CA LYS A 5 2.834 -12.411 -1.882 1.00 13.15 C ATOM 81 C LYS A 5 4.207 -13.067 -1.781 1.00 3.43 C ATOM 82 O LYS A 5 5.196 -12.540 -2.291 1.00 3.31 O ATOM 83 CB LYS A 5 1.935 -13.227 -2.813 1.00 53.54 C ATOM 84 CG LYS A 5 2.659 -13.778 -4.029 1.00 43.52 C ATOM 85 CD LYS A 5 3.231 -12.663 -4.890 1.00 20.50 C ATOM 86 CE LYS A 5 3.509 -13.141 -6.307 1.00 55.33 C ATOM 87 NZ LYS A 5 2.448 -12.705 -7.257 1.00 53.30 N ATOM 0 H LYS A 5 2.627 -10.900 -3.320 1.00 45.33 H new ATOM 0 HA LYS A 5 2.389 -12.386 -0.887 1.00 13.15 H new ATOM 0 HB2 LYS A 5 1.502 -14.055 -2.252 1.00 53.54 H new ATOM 0 HB3 LYS A 5 1.108 -12.601 -3.146 1.00 53.54 H new ATOM 0 HG2 LYS A 5 3.463 -14.439 -3.706 1.00 43.52 H new ATOM 0 HG3 LYS A 5 1.970 -14.380 -4.622 1.00 43.52 H new ATOM 0 HD2 LYS A 5 2.532 -11.827 -4.917 1.00 20.50 H new ATOM 0 HD3 LYS A 5 4.153 -12.292 -4.442 1.00 20.50 H new ATOM 0 HE2 LYS A 5 4.473 -12.756 -6.638 1.00 55.33 H new ATOM 0 HE3 LYS A 5 3.580 -14.229 -6.316 1.00 55.33 H new ATOM 0 HZ1 LYS A 5 2.674 -13.050 -8.212 1.00 53.30 H new ATOM 0 HZ2 LYS A 5 1.531 -13.093 -6.956 1.00 53.30 H new ATOM 0 HZ3 LYS A 5 2.397 -11.666 -7.268 1.00 53.30 H new ATOM 101 N TYR A 6 4.261 -14.218 -1.121 1.00 72.54 N ATOM 102 CA TYR A 6 5.513 -14.945 -0.953 1.00 64.53 C ATOM 103 C TYR A 6 5.909 -15.655 -2.245 1.00 1.13 C ATOM 104 O TYR A 6 5.064 -15.940 -3.094 1.00 63.25 O ATOM 105 CB TYR A 6 5.389 -15.962 0.183 1.00 71.13 C ATOM 106 CG TYR A 6 5.337 -15.332 1.556 1.00 25.13 C ATOM 107 CD1 TYR A 6 6.477 -14.791 2.137 1.00 5.51 C ATOM 108 CD2 TYR A 6 4.148 -15.278 2.273 1.00 42.42 C ATOM 109 CE1 TYR A 6 6.435 -14.215 3.392 1.00 0.30 C ATOM 110 CE2 TYR A 6 4.096 -14.702 3.528 1.00 61.32 C ATOM 111 CZ TYR A 6 5.242 -14.173 4.083 1.00 1.22 C ATOM 112 OH TYR A 6 5.195 -13.599 5.333 1.00 5.30 O ATOM 0 H TYR A 6 3.452 -14.668 -0.693 1.00 72.54 H new ATOM 0 HA TYR A 6 6.291 -14.224 -0.703 1.00 64.53 H new ATOM 0 HB2 TYR A 6 4.488 -16.556 0.031 1.00 71.13 H new ATOM 0 HB3 TYR A 6 6.235 -16.648 0.139 1.00 71.13 H new ATOM 0 HD1 TYR A 6 7.412 -14.821 1.598 1.00 5.51 H new ATOM 0 HD2 TYR A 6 3.249 -15.693 1.842 1.00 42.42 H new ATOM 0 HE1 TYR A 6 7.331 -13.800 3.829 1.00 0.30 H new ATOM 0 HE2 TYR A 6 3.163 -14.666 4.071 1.00 61.32 H new ATOM 0 HH TYR A 6 4.281 -13.650 5.682 1.00 5.30 H new ATOM 122 N LEU A 7 7.199 -15.938 -2.385 1.00 5.31 N ATOM 123 CA LEU A 7 7.710 -16.615 -3.572 1.00 53.10 C ATOM 124 C LEU A 7 8.162 -18.033 -3.238 1.00 11.11 C ATOM 125 O LEU A 7 9.345 -18.358 -3.338 1.00 50.34 O ATOM 126 CB LEU A 7 8.873 -15.825 -4.174 1.00 1.24 C ATOM 127 CG LEU A 7 8.735 -14.302 -4.148 1.00 73.22 C ATOM 128 CD1 LEU A 7 9.968 -13.644 -4.748 1.00 13.04 C ATOM 129 CD2 LEU A 7 7.481 -13.868 -4.893 1.00 73.21 C ATOM 0 H LEU A 7 7.911 -15.709 -1.691 1.00 5.31 H new ATOM 0 HA LEU A 7 6.903 -16.673 -4.302 1.00 53.10 H new ATOM 0 HB2 LEU A 7 9.784 -16.096 -3.641 1.00 1.24 H new ATOM 0 HB3 LEU A 7 9.003 -16.140 -5.209 1.00 1.24 H new ATOM 0 HG LEU A 7 8.646 -13.982 -3.110 1.00 73.22 H new ATOM 0 HD11 LEU A 7 9.852 -12.561 -4.721 1.00 13.04 H new ATOM 0 HD12 LEU A 7 10.849 -13.929 -4.173 1.00 13.04 H new ATOM 0 HD13 LEU A 7 10.088 -13.970 -5.781 1.00 13.04 H new ATOM 0 HD21 LEU A 7 7.399 -12.781 -4.865 1.00 73.21 H new ATOM 0 HD22 LEU A 7 7.540 -14.200 -5.929 1.00 73.21 H new ATOM 0 HD23 LEU A 7 6.605 -14.311 -4.419 1.00 73.21 H new ATOM 141 N SER A 8 7.212 -18.874 -2.842 1.00 54.21 N ATOM 142 CA SER A 8 7.512 -20.257 -2.492 1.00 4.13 C ATOM 143 C SER A 8 6.415 -21.194 -2.988 1.00 45.13 C ATOM 144 O SER A 8 5.313 -20.758 -3.321 1.00 51.14 O ATOM 145 CB SER A 8 7.672 -20.398 -0.977 1.00 24.32 C ATOM 146 OG SER A 8 6.430 -20.234 -0.315 1.00 41.42 O ATOM 0 H SER A 8 6.228 -18.621 -2.756 1.00 54.21 H new ATOM 0 HA SER A 8 8.448 -20.534 -2.977 1.00 4.13 H new ATOM 0 HB2 SER A 8 8.086 -21.378 -0.742 1.00 24.32 H new ATOM 0 HB3 SER A 8 8.382 -19.656 -0.613 1.00 24.32 H new ATOM 0 HG SER A 8 6.564 -19.724 0.511 1.00 41.42 H new ATOM 152 N THR A 9 6.726 -22.486 -3.035 1.00 51.24 N ATOM 153 CA THR A 9 5.769 -23.486 -3.492 1.00 52.40 C ATOM 154 C THR A 9 5.141 -24.224 -2.315 1.00 50.51 C ATOM 155 O THR A 9 3.986 -23.984 -1.965 1.00 72.12 O ATOM 156 CB THR A 9 6.432 -24.511 -4.431 1.00 42.31 C ATOM 157 OG1 THR A 9 6.927 -23.853 -5.603 1.00 21.11 O ATOM 158 CG2 THR A 9 5.445 -25.596 -4.831 1.00 74.25 C ATOM 0 H THR A 9 7.633 -22.864 -2.762 1.00 51.24 H new ATOM 0 HA THR A 9 4.992 -22.953 -4.040 1.00 52.40 H new ATOM 0 HB THR A 9 7.262 -24.976 -3.898 1.00 42.31 H new ATOM 0 HG1 THR A 9 6.902 -24.473 -6.361 1.00 21.11 H new ATOM 0 HG21 THR A 9 5.936 -26.308 -5.494 1.00 74.25 H new ATOM 0 HG22 THR A 9 5.093 -26.114 -3.939 1.00 74.25 H new ATOM 0 HG23 THR A 9 4.598 -25.145 -5.347 1.00 74.25 H new ATOM 166 N ALA A 10 5.910 -25.121 -1.707 1.00 73.35 N ATOM 167 CA ALA A 10 5.429 -25.892 -0.568 1.00 20.24 C ATOM 168 C ALA A 10 6.102 -25.440 0.724 1.00 62.31 C ATOM 169 O ALA A 10 6.778 -24.411 0.757 1.00 74.13 O ATOM 170 CB ALA A 10 5.666 -27.377 -0.797 1.00 64.51 C ATOM 0 H ALA A 10 6.869 -25.332 -1.984 1.00 73.35 H new ATOM 0 HA ALA A 10 4.358 -25.718 -0.470 1.00 20.24 H new ATOM 0 HB1 ALA A 10 5.302 -27.940 0.062 1.00 64.51 H new ATOM 0 HB2 ALA A 10 5.133 -27.697 -1.693 1.00 64.51 H new ATOM 0 HB3 ALA A 10 6.733 -27.560 -0.925 1.00 64.51 H new ATOM 176 N HIS A 11 5.913 -26.216 1.787 1.00 3.30 N ATOM 177 CA HIS A 11 6.503 -25.894 3.082 1.00 73.40 C ATOM 178 C HIS A 11 7.690 -26.806 3.380 1.00 55.32 C ATOM 179 O HIS A 11 7.521 -27.999 3.633 1.00 60.55 O ATOM 180 CB HIS A 11 5.456 -26.023 4.189 1.00 74.24 C ATOM 181 CG HIS A 11 4.686 -27.307 4.139 1.00 62.23 C ATOM 182 ND1 HIS A 11 5.023 -28.416 4.886 1.00 64.24 N ATOM 183 CD2 HIS A 11 3.589 -27.655 3.426 1.00 11.34 C ATOM 184 CE1 HIS A 11 4.168 -29.391 4.634 1.00 51.24 C ATOM 185 NE2 HIS A 11 3.287 -28.954 3.752 1.00 71.24 N ATOM 0 H HIS A 11 5.357 -27.071 1.777 1.00 3.30 H new ATOM 0 HA HIS A 11 6.858 -24.864 3.046 1.00 73.40 H new ATOM 0 HB2 HIS A 11 5.951 -25.943 5.157 1.00 74.24 H new ATOM 0 HB3 HIS A 11 4.759 -25.188 4.118 1.00 74.24 H new ATOM 0 HD2 HIS A 11 3.052 -27.028 2.730 1.00 11.34 H new ATOM 0 HE1 HIS A 11 4.186 -30.377 5.074 1.00 51.24 H new ATOM 0 HE2 HIS A 11 2.509 -29.494 3.374 1.00 71.24 H new ATOM 193 N LEU A 12 8.889 -26.236 3.348 1.00 62.14 N ATOM 194 CA LEU A 12 10.105 -26.997 3.613 1.00 30.24 C ATOM 195 C LEU A 12 11.121 -26.152 4.375 1.00 31.11 C ATOM 196 O LEU A 12 11.631 -25.160 3.857 1.00 52.05 O ATOM 197 CB LEU A 12 10.717 -27.492 2.302 1.00 63.21 C ATOM 198 CG LEU A 12 12.084 -28.168 2.412 1.00 24.15 C ATOM 199 CD1 LEU A 12 11.952 -29.539 3.058 1.00 53.23 C ATOM 200 CD2 LEU A 12 12.735 -28.283 1.042 1.00 41.34 C ATOM 0 H LEU A 12 9.046 -25.250 3.141 1.00 62.14 H new ATOM 0 HA LEU A 12 9.839 -27.856 4.229 1.00 30.24 H new ATOM 0 HB2 LEU A 12 10.022 -28.195 1.843 1.00 63.21 H new ATOM 0 HB3 LEU A 12 10.807 -26.644 1.623 1.00 63.21 H new ATOM 0 HG LEU A 12 12.722 -27.551 3.044 1.00 24.15 H new ATOM 0 HD11 LEU A 12 12.935 -30.005 3.128 1.00 53.23 H new ATOM 0 HD12 LEU A 12 11.530 -29.431 4.057 1.00 53.23 H new ATOM 0 HD13 LEU A 12 11.296 -30.165 2.453 1.00 53.23 H new ATOM 0 HD21 LEU A 12 13.707 -28.767 1.140 1.00 41.34 H new ATOM 0 HD22 LEU A 12 12.099 -28.877 0.386 1.00 41.34 H new ATOM 0 HD23 LEU A 12 12.866 -27.288 0.617 1.00 41.34 H new ATOM 212 N ASN A 13 11.411 -26.554 5.608 1.00 24.02 N ATOM 213 CA ASN A 13 12.368 -25.834 6.441 1.00 22.41 C ATOM 214 C ASN A 13 12.022 -24.350 6.508 1.00 23.04 C ATOM 215 O ASN A 13 12.908 -23.494 6.495 1.00 34.42 O ATOM 216 CB ASN A 13 13.787 -26.015 5.897 1.00 53.10 C ATOM 217 CG ASN A 13 14.848 -25.700 6.934 1.00 70.35 C ATOM 218 OD1 ASN A 13 14.581 -25.715 8.135 1.00 24.13 O ATOM 219 ND2 ASN A 13 16.059 -25.413 6.471 1.00 24.14 N ATOM 0 H ASN A 13 10.998 -27.374 6.052 1.00 24.02 H new ATOM 0 HA ASN A 13 12.317 -26.246 7.449 1.00 22.41 H new ATOM 0 HB2 ASN A 13 13.913 -27.041 5.552 1.00 53.10 H new ATOM 0 HB3 ASN A 13 13.926 -25.368 5.031 1.00 53.10 H new ATOM 0 HD21 ASN A 13 16.814 -25.193 7.120 1.00 24.14 H new ATOM 0 HD22 ASN A 13 16.234 -25.413 5.466 1.00 24.14 H new ATOM 226 N TYR A 14 10.730 -24.052 6.581 1.00 31.21 N ATOM 227 CA TYR A 14 10.266 -22.671 6.649 1.00 63.53 C ATOM 228 C TYR A 14 10.872 -21.838 5.524 1.00 50.32 C ATOM 229 O TYR A 14 11.706 -20.965 5.763 1.00 10.00 O ATOM 230 CB TYR A 14 10.624 -22.057 8.003 1.00 32.12 C ATOM 231 CG TYR A 14 9.643 -22.401 9.102 1.00 65.13 C ATOM 232 CD1 TYR A 14 8.339 -21.925 9.070 1.00 75.33 C ATOM 233 CD2 TYR A 14 10.022 -23.203 10.172 1.00 42.15 C ATOM 234 CE1 TYR A 14 7.440 -22.236 10.072 1.00 70.43 C ATOM 235 CE2 TYR A 14 9.130 -23.520 11.177 1.00 31.43 C ATOM 236 CZ TYR A 14 7.840 -23.034 11.123 1.00 22.41 C ATOM 237 OH TYR A 14 6.948 -23.348 12.122 1.00 14.24 O ATOM 0 H TYR A 14 9.985 -24.748 6.595 1.00 31.21 H new ATOM 0 HA TYR A 14 9.182 -22.672 6.533 1.00 63.53 H new ATOM 0 HB2 TYR A 14 11.618 -22.396 8.295 1.00 32.12 H new ATOM 0 HB3 TYR A 14 10.675 -20.973 7.899 1.00 32.12 H new ATOM 0 HD1 TYR A 14 8.022 -21.301 8.248 1.00 75.33 H new ATOM 0 HD2 TYR A 14 11.031 -23.585 10.218 1.00 42.15 H new ATOM 0 HE1 TYR A 14 6.430 -21.856 10.032 1.00 70.43 H new ATOM 0 HE2 TYR A 14 9.440 -24.145 12.001 1.00 31.43 H new ATOM 0 HH TYR A 14 7.388 -23.919 12.786 1.00 14.24 H new ATOM 247 N MET A 15 10.445 -22.114 4.296 1.00 51.41 N ATOM 248 CA MET A 15 10.943 -21.388 3.133 1.00 61.31 C ATOM 249 C MET A 15 9.883 -20.434 2.593 1.00 42.54 C ATOM 250 O MET A 15 8.817 -20.860 2.151 1.00 22.55 O ATOM 251 CB MET A 15 11.369 -22.368 2.038 1.00 23.21 C ATOM 252 CG MET A 15 12.875 -22.558 1.945 1.00 74.12 C ATOM 253 SD MET A 15 13.358 -23.610 0.562 1.00 54.50 S ATOM 254 CE MET A 15 14.661 -24.581 1.314 1.00 12.04 C ATOM 0 H MET A 15 9.756 -22.834 4.080 1.00 51.41 H new ATOM 0 HA MET A 15 11.808 -20.803 3.444 1.00 61.31 H new ATOM 0 HB2 MET A 15 10.900 -23.334 2.224 1.00 23.21 H new ATOM 0 HB3 MET A 15 10.996 -22.012 1.078 1.00 23.21 H new ATOM 0 HG2 MET A 15 13.354 -21.585 1.841 1.00 74.12 H new ATOM 0 HG3 MET A 15 13.240 -22.995 2.874 1.00 74.12 H new ATOM 0 HE1 MET A 15 15.062 -25.281 0.581 1.00 12.04 H new ATOM 0 HE2 MET A 15 15.456 -23.919 1.657 1.00 12.04 H new ATOM 0 HE3 MET A 15 14.259 -25.134 2.163 1.00 12.04 H new ATOM 264 N ASN A 16 10.184 -19.139 2.631 1.00 60.50 N ATOM 265 CA ASN A 16 9.256 -18.124 2.146 1.00 61.42 C ATOM 266 C ASN A 16 9.987 -16.821 1.839 1.00 2.14 C ATOM 267 O ASN A 16 10.770 -16.331 2.653 1.00 4.34 O ATOM 268 CB ASN A 16 8.155 -17.874 3.179 1.00 65.23 C ATOM 269 CG ASN A 16 7.054 -18.914 3.113 1.00 31.43 C ATOM 270 OD1 ASN A 16 6.188 -18.797 2.113 1.00 5.31 O flip ATOM 271 ND2 ASN A 16 6.982 -19.813 3.952 1.00 23.20 N flip ATOM 0 H ASN A 16 11.063 -18.769 2.993 1.00 60.50 H new ATOM 0 HA ASN A 16 8.803 -18.491 1.225 1.00 61.42 H new ATOM 0 HB2 ASN A 16 8.591 -17.873 4.178 1.00 65.23 H new ATOM 0 HB3 ASN A 16 7.727 -16.885 3.018 1.00 65.23 H new ATOM 0 HD21 ASN A 16 7.669 -19.865 4.704 1.00 23.20 H new ATOM 0 HD22 ASN A 16 6.235 -20.505 3.895 1.00 23.20 H new ATOM 278 N ILE A 17 9.725 -16.265 0.661 1.00 5.13 N ATOM 279 CA ILE A 17 10.357 -15.018 0.248 1.00 0.25 C ATOM 280 C ILE A 17 9.327 -13.904 0.097 1.00 52.22 C ATOM 281 O ILE A 17 8.511 -13.920 -0.824 1.00 73.51 O ATOM 282 CB ILE A 17 11.116 -15.184 -1.081 1.00 60.42 C ATOM 283 CG1 ILE A 17 12.301 -16.135 -0.901 1.00 45.14 C ATOM 284 CG2 ILE A 17 11.588 -13.832 -1.595 1.00 35.21 C ATOM 285 CD1 ILE A 17 12.623 -16.941 -2.140 1.00 41.24 C ATOM 0 H ILE A 17 9.080 -16.658 -0.024 1.00 5.13 H new ATOM 0 HA ILE A 17 11.067 -14.750 1.030 1.00 0.25 H new ATOM 0 HB ILE A 17 10.438 -15.614 -1.818 1.00 60.42 H new ATOM 0 HG12 ILE A 17 13.180 -15.557 -0.615 1.00 45.14 H new ATOM 0 HG13 ILE A 17 12.087 -16.818 -0.079 1.00 45.14 H new ATOM 0 HG21 ILE A 17 12.123 -13.967 -2.535 1.00 35.21 H new ATOM 0 HG22 ILE A 17 10.727 -13.184 -1.757 1.00 35.21 H new ATOM 0 HG23 ILE A 17 12.253 -13.376 -0.862 1.00 35.21 H new ATOM 0 HD11 ILE A 17 13.473 -17.593 -1.939 1.00 41.24 H new ATOM 0 HD12 ILE A 17 11.759 -17.546 -2.415 1.00 41.24 H new ATOM 0 HD13 ILE A 17 12.869 -16.266 -2.960 1.00 41.24 H new ATOM 297 N ALA A 18 9.372 -12.936 1.006 1.00 1.41 N ATOM 298 CA ALA A 18 8.445 -11.811 0.971 1.00 24.04 C ATOM 299 C ALA A 18 8.965 -10.699 0.066 1.00 31.30 C ATOM 300 O ALA A 18 10.081 -10.212 0.243 1.00 43.41 O ATOM 301 CB ALA A 18 8.206 -11.281 2.377 1.00 0.13 C ATOM 0 H ALA A 18 10.040 -12.908 1.776 1.00 1.41 H new ATOM 0 HA ALA A 18 7.499 -12.164 0.561 1.00 24.04 H new ATOM 0 HB1 ALA A 18 7.512 -10.441 2.336 1.00 0.13 H new ATOM 0 HB2 ALA A 18 7.783 -12.072 2.997 1.00 0.13 H new ATOM 0 HB3 ALA A 18 9.151 -10.950 2.807 1.00 0.13 H new ATOM 307 N VAL A 19 8.148 -10.303 -0.905 1.00 63.11 N ATOM 308 CA VAL A 19 8.525 -9.248 -1.838 1.00 65.34 C ATOM 309 C VAL A 19 7.780 -7.954 -1.535 1.00 53.31 C ATOM 310 O VAL A 19 6.789 -7.952 -0.804 1.00 22.32 O ATOM 311 CB VAL A 19 8.244 -9.661 -3.295 1.00 52.14 C ATOM 312 CG1 VAL A 19 9.151 -8.901 -4.251 1.00 1.23 C ATOM 313 CG2 VAL A 19 8.415 -11.163 -3.466 1.00 11.21 C ATOM 0 H VAL A 19 7.221 -10.697 -1.066 1.00 63.11 H new ATOM 0 HA VAL A 19 9.596 -9.084 -1.715 1.00 65.34 H new ATOM 0 HB VAL A 19 7.211 -9.407 -3.533 1.00 52.14 H new ATOM 0 HG11 VAL A 19 8.938 -9.206 -5.275 1.00 1.23 H new ATOM 0 HG12 VAL A 19 8.974 -7.831 -4.147 1.00 1.23 H new ATOM 0 HG13 VAL A 19 10.193 -9.121 -4.016 1.00 1.23 H new ATOM 0 HG21 VAL A 19 8.212 -11.437 -4.501 1.00 11.21 H new ATOM 0 HG22 VAL A 19 9.436 -11.444 -3.209 1.00 11.21 H new ATOM 0 HG23 VAL A 19 7.719 -11.685 -2.810 1.00 11.21 H new ATOM 323 N TYR A 20 8.262 -6.853 -2.102 1.00 33.31 N ATOM 324 CA TYR A 20 7.642 -5.551 -1.891 1.00 11.51 C ATOM 325 C TYR A 20 7.830 -4.654 -3.111 1.00 13.22 C ATOM 326 O TYR A 20 8.934 -4.531 -3.639 1.00 40.34 O ATOM 327 CB TYR A 20 8.233 -4.876 -0.652 1.00 43.31 C ATOM 328 CG TYR A 20 8.222 -5.753 0.579 1.00 64.50 C ATOM 329 CD1 TYR A 20 7.052 -5.960 1.299 1.00 53.44 C ATOM 330 CD2 TYR A 20 9.382 -6.376 1.023 1.00 4.21 C ATOM 331 CE1 TYR A 20 7.037 -6.760 2.424 1.00 31.15 C ATOM 332 CE2 TYR A 20 9.377 -7.179 2.147 1.00 74.22 C ATOM 333 CZ TYR A 20 8.202 -7.368 2.844 1.00 33.12 C ATOM 334 OH TYR A 20 8.192 -8.166 3.965 1.00 61.51 O ATOM 0 H TYR A 20 9.080 -6.837 -2.711 1.00 33.31 H new ATOM 0 HA TYR A 20 6.574 -5.706 -1.738 1.00 11.51 H new ATOM 0 HB2 TYR A 20 9.259 -4.578 -0.866 1.00 43.31 H new ATOM 0 HB3 TYR A 20 7.673 -3.964 -0.443 1.00 43.31 H new ATOM 0 HD1 TYR A 20 6.138 -5.487 0.973 1.00 53.44 H new ATOM 0 HD2 TYR A 20 10.304 -6.230 0.480 1.00 4.21 H new ATOM 0 HE1 TYR A 20 6.118 -6.909 2.972 1.00 31.15 H new ATOM 0 HE2 TYR A 20 10.288 -7.656 2.478 1.00 74.22 H new ATOM 0 HH TYR A 20 9.092 -8.519 4.124 1.00 61.51 H new ATOM 344 N GLU A 21 6.742 -4.029 -3.551 1.00 71.43 N ATOM 345 CA GLU A 21 6.786 -3.144 -4.709 1.00 2.10 C ATOM 346 C GLU A 21 6.569 -1.692 -4.292 1.00 71.11 C ATOM 347 O GLU A 21 5.907 -1.415 -3.293 1.00 4.23 O ATOM 348 CB GLU A 21 5.728 -3.555 -5.735 1.00 31.45 C ATOM 349 CG GLU A 21 6.050 -3.113 -7.152 1.00 72.42 C ATOM 350 CD GLU A 21 4.897 -3.341 -8.110 1.00 54.32 C ATOM 351 OE1 GLU A 21 3.956 -2.519 -8.110 1.00 73.35 O ATOM 352 OE2 GLU A 21 4.934 -4.339 -8.859 1.00 25.10 O ATOM 0 H GLU A 21 5.820 -4.119 -3.123 1.00 71.43 H new ATOM 0 HA GLU A 21 7.773 -3.231 -5.163 1.00 2.10 H new ATOM 0 HB2 GLU A 21 5.619 -4.639 -5.718 1.00 31.45 H new ATOM 0 HB3 GLU A 21 4.767 -3.133 -5.442 1.00 31.45 H new ATOM 0 HG2 GLU A 21 6.311 -2.055 -7.148 1.00 72.42 H new ATOM 0 HG3 GLU A 21 6.926 -3.656 -7.508 1.00 72.42 H new ATOM 359 N ASN A 22 7.132 -0.770 -5.066 1.00 51.20 N ATOM 360 CA ASN A 22 7.001 0.654 -4.777 1.00 62.32 C ATOM 361 C ASN A 22 5.924 1.290 -5.651 1.00 64.53 C ATOM 362 O ASN A 22 5.702 0.868 -6.785 1.00 50.25 O ATOM 363 CB ASN A 22 8.338 1.365 -4.997 1.00 70.21 C ATOM 364 CG ASN A 22 8.243 2.860 -4.762 1.00 70.03 C ATOM 365 OD1 ASN A 22 7.504 3.317 -3.890 1.00 23.12 O ATOM 366 ND2 ASN A 22 8.992 3.630 -5.543 1.00 4.04 N ATOM 0 H ASN A 22 7.683 -0.983 -5.898 1.00 51.20 H new ATOM 0 HA ASN A 22 6.707 0.762 -3.733 1.00 62.32 H new ATOM 0 HB2 ASN A 22 9.086 0.941 -4.327 1.00 70.21 H new ATOM 0 HB3 ASN A 22 8.681 1.181 -6.015 1.00 70.21 H new ATOM 0 HD21 ASN A 22 8.969 4.644 -5.433 1.00 4.04 H new ATOM 0 HD22 ASN A 22 9.590 3.208 -6.253 1.00 4.04 H new ATOM 373 N GLY A 23 5.259 2.308 -5.114 1.00 72.34 N ATOM 374 CA GLY A 23 4.214 2.986 -5.859 1.00 32.21 C ATOM 375 C GLY A 23 4.750 3.721 -7.071 1.00 54.23 C ATOM 376 O GLY A 23 4.018 3.967 -8.030 1.00 72.11 O ATOM 0 H GLY A 23 5.425 2.675 -4.177 1.00 72.34 H new ATOM 0 HA2 GLY A 23 3.469 2.257 -6.180 1.00 32.21 H new ATOM 0 HA3 GLY A 23 3.706 3.694 -5.204 1.00 32.21 H new ATOM 380 N SER A 24 6.030 4.075 -7.029 1.00 1.13 N ATOM 381 CA SER A 24 6.662 4.792 -8.130 1.00 40.01 C ATOM 382 C SER A 24 7.171 3.820 -9.190 1.00 71.11 C ATOM 383 O SER A 24 6.656 3.775 -10.308 1.00 12.35 O ATOM 384 CB SER A 24 7.818 5.650 -7.612 1.00 32.13 C ATOM 385 OG SER A 24 8.090 6.726 -8.493 1.00 71.42 O ATOM 0 H SER A 24 6.650 3.877 -6.244 1.00 1.13 H new ATOM 0 HA SER A 24 5.914 5.440 -8.585 1.00 40.01 H new ATOM 0 HB2 SER A 24 7.572 6.039 -6.624 1.00 32.13 H new ATOM 0 HB3 SER A 24 8.710 5.034 -7.499 1.00 32.13 H new ATOM 0 HG SER A 24 8.831 7.260 -8.138 1.00 71.42 H new ATOM 391 N LYS A 25 8.187 3.042 -8.831 1.00 74.04 N ATOM 392 CA LYS A 25 8.767 2.069 -9.749 1.00 73.40 C ATOM 393 C LYS A 25 8.666 0.657 -9.180 1.00 2.12 C ATOM 394 O LYS A 25 8.096 0.449 -8.108 1.00 51.24 O ATOM 395 CB LYS A 25 10.231 2.413 -10.032 1.00 32.04 C ATOM 396 CG LYS A 25 10.413 3.709 -10.802 1.00 1.54 C ATOM 397 CD LYS A 25 11.270 3.507 -12.040 1.00 71.10 C ATOM 398 CE LYS A 25 11.706 4.835 -12.640 1.00 12.04 C ATOM 399 NZ LYS A 25 12.660 5.557 -11.753 1.00 53.32 N ATOM 0 H LYS A 25 8.626 3.067 -7.910 1.00 74.04 H new ATOM 0 HA LYS A 25 8.205 2.107 -10.682 1.00 73.40 H new ATOM 0 HB2 LYS A 25 10.768 2.484 -9.086 1.00 32.04 H new ATOM 0 HB3 LYS A 25 10.684 1.598 -10.596 1.00 32.04 H new ATOM 0 HG2 LYS A 25 9.438 4.100 -11.093 1.00 1.54 H new ATOM 0 HG3 LYS A 25 10.876 4.455 -10.156 1.00 1.54 H new ATOM 0 HD2 LYS A 25 12.150 2.917 -11.782 1.00 71.10 H new ATOM 0 HD3 LYS A 25 10.710 2.938 -12.782 1.00 71.10 H new ATOM 0 HE2 LYS A 25 12.173 4.660 -13.609 1.00 12.04 H new ATOM 0 HE3 LYS A 25 10.830 5.459 -12.816 1.00 12.04 H new ATOM 0 HZ1 LYS A 25 13.151 6.294 -12.298 1.00 53.32 H new ATOM 0 HZ2 LYS A 25 12.139 5.996 -10.967 1.00 53.32 H new ATOM 0 HZ3 LYS A 25 13.357 4.885 -11.373 1.00 53.32 H new ATOM 413 N ILE A 26 9.224 -0.308 -9.902 1.00 64.41 N ATOM 414 CA ILE A 26 9.199 -1.699 -9.467 1.00 23.22 C ATOM 415 C ILE A 26 10.353 -1.998 -8.515 1.00 35.21 C ATOM 416 O ILE A 26 11.480 -1.550 -8.727 1.00 34.31 O ATOM 417 CB ILE A 26 9.273 -2.665 -10.664 1.00 61.30 C ATOM 418 CG1 ILE A 26 8.099 -2.424 -11.615 1.00 33.53 C ATOM 419 CG2 ILE A 26 9.283 -4.108 -10.181 1.00 3.23 C ATOM 420 CD1 ILE A 26 6.771 -2.901 -11.068 1.00 2.10 C ATOM 0 H ILE A 26 9.699 -0.152 -10.791 1.00 64.41 H new ATOM 0 HA ILE A 26 8.253 -1.850 -8.947 1.00 23.22 H new ATOM 0 HB ILE A 26 10.200 -2.478 -11.206 1.00 61.30 H new ATOM 0 HG12 ILE A 26 8.031 -1.358 -11.833 1.00 33.53 H new ATOM 0 HG13 ILE A 26 8.297 -2.931 -12.560 1.00 33.53 H new ATOM 0 HG21 ILE A 26 9.336 -4.778 -11.039 1.00 3.23 H new ATOM 0 HG22 ILE A 26 10.149 -4.271 -9.539 1.00 3.23 H new ATOM 0 HG23 ILE A 26 8.372 -4.310 -9.618 1.00 3.23 H new ATOM 0 HD11 ILE A 26 5.984 -2.698 -11.795 1.00 2.10 H new ATOM 0 HD12 ILE A 26 6.820 -3.973 -10.876 1.00 2.10 H new ATOM 0 HD13 ILE A 26 6.551 -2.376 -10.139 1.00 2.10 H new ATOM 432 N LYS A 27 10.064 -2.760 -7.465 1.00 54.13 N ATOM 433 CA LYS A 27 11.076 -3.123 -6.481 1.00 1.12 C ATOM 434 C LYS A 27 10.968 -4.598 -6.108 1.00 63.10 C ATOM 435 O LYS A 27 9.869 -5.132 -5.962 1.00 24.23 O ATOM 436 CB LYS A 27 10.931 -2.257 -5.227 1.00 65.32 C ATOM 437 CG LYS A 27 11.825 -2.695 -4.079 1.00 50.25 C ATOM 438 CD LYS A 27 12.307 -1.507 -3.264 1.00 12.13 C ATOM 439 CE LYS A 27 11.203 -0.958 -2.372 1.00 62.53 C ATOM 440 NZ LYS A 27 11.750 -0.309 -1.149 1.00 13.40 N ATOM 0 H LYS A 27 9.136 -3.138 -7.274 1.00 54.13 H new ATOM 0 HA LYS A 27 12.057 -2.949 -6.924 1.00 1.12 H new ATOM 0 HB2 LYS A 27 11.161 -1.222 -5.481 1.00 65.32 H new ATOM 0 HB3 LYS A 27 9.892 -2.281 -4.897 1.00 65.32 H new ATOM 0 HG2 LYS A 27 11.279 -3.383 -3.433 1.00 50.25 H new ATOM 0 HG3 LYS A 27 12.683 -3.240 -4.472 1.00 50.25 H new ATOM 0 HD2 LYS A 27 13.157 -1.806 -2.651 1.00 12.13 H new ATOM 0 HD3 LYS A 27 12.658 -0.723 -3.935 1.00 12.13 H new ATOM 0 HE2 LYS A 27 10.609 -0.236 -2.932 1.00 62.53 H new ATOM 0 HE3 LYS A 27 10.532 -1.767 -2.084 1.00 62.53 H new ATOM 0 HZ1 LYS A 27 10.967 0.052 -0.568 1.00 13.40 H new ATOM 0 HZ2 LYS A 27 12.296 -1.005 -0.601 1.00 13.40 H new ATOM 0 HZ3 LYS A 27 12.370 0.480 -1.422 1.00 13.40 H new ATOM 454 N ALA A 28 12.116 -5.250 -5.955 1.00 20.34 N ATOM 455 CA ALA A 28 12.150 -6.663 -5.595 1.00 50.42 C ATOM 456 C ALA A 28 13.120 -6.913 -4.446 1.00 31.43 C ATOM 457 O ALA A 28 14.336 -6.910 -4.635 1.00 43.25 O ATOM 458 CB ALA A 28 12.531 -7.506 -6.803 1.00 51.53 C ATOM 0 H ALA A 28 13.034 -4.823 -6.075 1.00 20.34 H new ATOM 0 HA ALA A 28 11.153 -6.953 -5.264 1.00 50.42 H new ATOM 0 HB1 ALA A 28 12.553 -8.558 -6.520 1.00 51.53 H new ATOM 0 HB2 ALA A 28 11.798 -7.358 -7.596 1.00 51.53 H new ATOM 0 HB3 ALA A 28 13.516 -7.206 -7.160 1.00 51.53 H new ATOM 464 N ARG A 29 12.574 -7.130 -3.254 1.00 20.15 N ATOM 465 CA ARG A 29 13.392 -7.381 -2.073 1.00 12.42 C ATOM 466 C ARG A 29 13.107 -8.765 -1.498 1.00 61.22 C ATOM 467 O ARG A 29 12.039 -9.008 -0.937 1.00 74.53 O ATOM 468 CB ARG A 29 13.131 -6.312 -1.010 1.00 3.04 C ATOM 469 CG ARG A 29 13.973 -6.483 0.244 1.00 11.35 C ATOM 470 CD ARG A 29 13.297 -5.863 1.458 1.00 40.15 C ATOM 471 NE ARG A 29 13.169 -4.414 1.332 1.00 54.44 N ATOM 472 CZ ARG A 29 12.875 -3.611 2.348 1.00 12.33 C ATOM 473 NH1 ARG A 29 12.681 -4.113 3.560 1.00 75.54 N ATOM 474 NH2 ARG A 29 12.775 -2.302 2.154 1.00 3.23 N ATOM 0 H ARG A 29 11.569 -7.137 -3.080 1.00 20.15 H new ATOM 0 HA ARG A 29 14.439 -7.339 -2.372 1.00 12.42 H new ATOM 0 HB2 ARG A 29 13.328 -5.329 -1.439 1.00 3.04 H new ATOM 0 HB3 ARG A 29 12.076 -6.334 -0.735 1.00 3.04 H new ATOM 0 HG2 ARG A 29 14.147 -7.544 0.425 1.00 11.35 H new ATOM 0 HG3 ARG A 29 14.949 -6.021 0.094 1.00 11.35 H new ATOM 0 HD2 ARG A 29 12.309 -6.304 1.588 1.00 40.15 H new ATOM 0 HD3 ARG A 29 13.872 -6.100 2.353 1.00 40.15 H new ATOM 0 HE ARG A 29 13.313 -3.996 0.413 1.00 54.44 H new ATOM 0 HH11 ARG A 29 12.757 -5.118 3.714 1.00 75.54 H new ATOM 0 HH12 ARG A 29 12.455 -3.494 4.338 1.00 75.54 H new ATOM 0 HH21 ARG A 29 12.924 -1.911 1.224 1.00 3.23 H new ATOM 0 HH22 ARG A 29 12.549 -1.686 2.935 1.00 3.23 H new ATOM 488 N VAL A 30 14.071 -9.670 -1.642 1.00 55.33 N ATOM 489 CA VAL A 30 13.924 -11.030 -1.137 1.00 41.35 C ATOM 490 C VAL A 30 14.132 -11.081 0.372 1.00 43.11 C ATOM 491 O VAL A 30 15.195 -10.717 0.874 1.00 41.10 O ATOM 492 CB VAL A 30 14.920 -11.990 -1.815 1.00 34.11 C ATOM 493 CG1 VAL A 30 14.897 -13.350 -1.135 1.00 33.34 C ATOM 494 CG2 VAL A 30 14.608 -12.121 -3.298 1.00 34.10 C ATOM 0 H VAL A 30 14.961 -9.486 -2.104 1.00 55.33 H new ATOM 0 HA VAL A 30 12.908 -11.347 -1.371 1.00 41.35 H new ATOM 0 HB VAL A 30 15.923 -11.576 -1.714 1.00 34.11 H new ATOM 0 HG11 VAL A 30 15.607 -14.015 -1.627 1.00 33.34 H new ATOM 0 HG12 VAL A 30 15.173 -13.237 -0.086 1.00 33.34 H new ATOM 0 HG13 VAL A 30 13.895 -13.774 -1.203 1.00 33.34 H new ATOM 0 HG21 VAL A 30 15.321 -12.803 -3.761 1.00 34.10 H new ATOM 0 HG22 VAL A 30 13.598 -12.512 -3.424 1.00 34.10 H new ATOM 0 HG23 VAL A 30 14.681 -11.143 -3.773 1.00 34.10 H new ATOM 504 N GLU A 31 13.110 -11.536 1.090 1.00 41.22 N ATOM 505 CA GLU A 31 13.182 -11.634 2.543 1.00 72.21 C ATOM 506 C GLU A 31 12.796 -13.034 3.013 1.00 11.31 C ATOM 507 O GLU A 31 11.663 -13.473 2.823 1.00 33.14 O ATOM 508 CB GLU A 31 12.265 -10.595 3.192 1.00 23.35 C ATOM 509 CG GLU A 31 12.036 -10.829 4.676 1.00 5.54 C ATOM 510 CD GLU A 31 11.582 -9.576 5.401 1.00 62.15 C ATOM 511 OE1 GLU A 31 11.933 -8.468 4.944 1.00 0.43 O ATOM 512 OE2 GLU A 31 10.877 -9.704 6.423 1.00 54.03 O ATOM 0 H GLU A 31 12.223 -11.842 0.690 1.00 41.22 H new ATOM 0 HA GLU A 31 14.211 -11.439 2.845 1.00 72.21 H new ATOM 0 HB2 GLU A 31 12.696 -9.604 3.051 1.00 23.35 H new ATOM 0 HB3 GLU A 31 11.303 -10.600 2.679 1.00 23.35 H new ATOM 0 HG2 GLU A 31 11.287 -11.611 4.806 1.00 5.54 H new ATOM 0 HG3 GLU A 31 12.958 -11.193 5.129 1.00 5.54 H new ATOM 519 N ASN A 32 13.748 -13.729 3.627 1.00 1.30 N ATOM 520 CA ASN A 32 13.509 -15.079 4.124 1.00 61.03 C ATOM 521 C ASN A 32 12.915 -15.045 5.529 1.00 43.34 C ATOM 522 O ASN A 32 12.690 -13.974 6.093 1.00 21.22 O ATOM 523 CB ASN A 32 14.812 -15.881 4.128 1.00 20.20 C ATOM 524 CG ASN A 32 14.589 -17.347 3.810 1.00 65.14 C ATOM 525 OD1 ASN A 32 15.035 -18.228 4.545 1.00 64.11 O ATOM 526 ND2 ASN A 32 13.897 -17.615 2.709 1.00 52.33 N ATOM 0 H ASN A 32 14.692 -13.380 3.792 1.00 1.30 H new ATOM 0 HA ASN A 32 12.794 -15.563 3.459 1.00 61.03 H new ATOM 0 HB2 ASN A 32 15.500 -15.454 3.398 1.00 20.20 H new ATOM 0 HB3 ASN A 32 15.287 -15.792 5.105 1.00 20.20 H new ATOM 0 HD21 ASN A 32 13.716 -18.583 2.443 1.00 52.33 H new ATOM 0 HD22 ASN A 32 13.546 -16.853 2.129 1.00 52.33 H new ATOM 533 N VAL A 33 12.664 -16.224 6.088 1.00 22.10 N ATOM 534 CA VAL A 33 12.098 -16.330 7.428 1.00 43.14 C ATOM 535 C VAL A 33 12.879 -17.327 8.277 1.00 74.13 C ATOM 536 O VAL A 33 13.101 -17.105 9.467 1.00 34.41 O ATOM 537 CB VAL A 33 10.620 -16.759 7.380 1.00 71.31 C ATOM 538 CG1 VAL A 33 10.464 -18.052 6.593 1.00 41.30 C ATOM 539 CG2 VAL A 33 10.064 -16.912 8.788 1.00 63.42 C ATOM 0 H VAL A 33 12.844 -17.120 5.634 1.00 22.10 H new ATOM 0 HA VAL A 33 12.167 -15.341 7.880 1.00 43.14 H new ATOM 0 HB VAL A 33 10.050 -15.981 6.871 1.00 71.31 H new ATOM 0 HG11 VAL A 33 9.413 -18.339 6.570 1.00 41.30 H new ATOM 0 HG12 VAL A 33 10.822 -17.903 5.574 1.00 41.30 H new ATOM 0 HG13 VAL A 33 11.045 -18.841 7.070 1.00 41.30 H new ATOM 0 HG21 VAL A 33 9.018 -17.216 8.735 1.00 63.42 H new ATOM 0 HG22 VAL A 33 10.635 -17.670 9.324 1.00 63.42 H new ATOM 0 HG23 VAL A 33 10.139 -15.961 9.314 1.00 63.42 H new ATOM 549 N VAL A 34 13.294 -18.427 7.656 1.00 34.13 N ATOM 550 CA VAL A 34 14.051 -19.459 8.354 1.00 3.23 C ATOM 551 C VAL A 34 15.244 -18.861 9.091 1.00 2.45 C ATOM 552 O VAL A 34 15.672 -19.377 10.123 1.00 61.23 O ATOM 553 CB VAL A 34 14.554 -20.542 7.381 1.00 53.41 C ATOM 554 CG1 VAL A 34 15.876 -20.125 6.755 1.00 71.12 C ATOM 555 CG2 VAL A 34 14.690 -21.878 8.095 1.00 0.33 C ATOM 0 H VAL A 34 13.119 -18.626 6.671 1.00 34.13 H new ATOM 0 HA VAL A 34 13.373 -19.916 9.075 1.00 3.23 H new ATOM 0 HB VAL A 34 13.822 -20.657 6.582 1.00 53.41 H new ATOM 0 HG11 VAL A 34 16.216 -20.902 6.071 1.00 71.12 H new ATOM 0 HG12 VAL A 34 15.741 -19.193 6.207 1.00 71.12 H new ATOM 0 HG13 VAL A 34 16.620 -19.981 7.538 1.00 71.12 H new ATOM 0 HG21 VAL A 34 15.046 -22.631 7.392 1.00 0.33 H new ATOM 0 HG22 VAL A 34 15.401 -21.781 8.915 1.00 0.33 H new ATOM 0 HG23 VAL A 34 13.720 -22.180 8.490 1.00 0.33 H new ATOM 565 N ASN A 35 15.777 -17.767 8.555 1.00 33.40 N ATOM 566 CA ASN A 35 16.921 -17.098 9.162 1.00 3.21 C ATOM 567 C ASN A 35 16.466 -15.965 10.077 1.00 44.42 C ATOM 568 O ASN A 35 17.188 -15.561 10.988 1.00 53.52 O ATOM 569 CB ASN A 35 17.853 -16.551 8.078 1.00 15.13 C ATOM 570 CG ASN A 35 18.982 -17.508 7.750 1.00 42.22 C ATOM 571 OD1 ASN A 35 19.739 -17.918 8.630 1.00 34.31 O ATOM 572 ND2 ASN A 35 19.102 -17.867 6.477 1.00 35.40 N ATOM 0 H ASN A 35 15.434 -17.326 7.702 1.00 33.40 H new ATOM 0 HA ASN A 35 17.462 -17.830 9.761 1.00 3.21 H new ATOM 0 HB2 ASN A 35 17.277 -16.350 7.175 1.00 15.13 H new ATOM 0 HB3 ASN A 35 18.271 -15.600 8.408 1.00 15.13 H new ATOM 0 HD21 ASN A 35 19.844 -18.507 6.196 1.00 35.40 H new ATOM 0 HD22 ASN A 35 18.452 -17.502 5.781 1.00 35.40 H new ATOM 579 N GLY A 36 15.263 -15.456 9.827 1.00 65.11 N ATOM 580 CA GLY A 36 14.732 -14.375 10.636 1.00 4.12 C ATOM 581 C GLY A 36 15.300 -13.025 10.245 1.00 62.00 C ATOM 582 O GLY A 36 14.950 -12.001 10.832 1.00 35.34 O ATOM 0 H GLY A 36 14.647 -15.773 9.078 1.00 65.11 H new ATOM 0 HA2 GLY A 36 13.647 -14.351 10.538 1.00 4.12 H new ATOM 0 HA3 GLY A 36 14.953 -14.568 11.686 1.00 4.12 H new ATOM 586 N LYS A 37 16.182 -13.021 9.251 1.00 74.33 N ATOM 587 CA LYS A 37 16.801 -11.788 8.781 1.00 55.41 C ATOM 588 C LYS A 37 16.765 -11.707 7.258 1.00 12.41 C ATOM 589 O LYS A 37 17.475 -12.441 6.571 1.00 33.12 O ATOM 590 CB LYS A 37 18.247 -11.699 9.273 1.00 12.32 C ATOM 591 CG LYS A 37 19.052 -10.601 8.600 1.00 41.12 C ATOM 592 CD LYS A 37 18.463 -9.228 8.877 1.00 44.24 C ATOM 593 CE LYS A 37 18.353 -8.402 7.604 1.00 10.11 C ATOM 594 NZ LYS A 37 18.657 -6.965 7.848 1.00 53.54 N ATOM 0 H LYS A 37 16.484 -13.859 8.755 1.00 74.33 H new ATOM 0 HA LYS A 37 16.234 -10.949 9.185 1.00 55.41 H new ATOM 0 HB2 LYS A 37 18.246 -11.529 10.350 1.00 12.32 H new ATOM 0 HB3 LYS A 37 18.740 -12.656 9.102 1.00 12.32 H new ATOM 0 HG2 LYS A 37 20.082 -10.634 8.955 1.00 41.12 H new ATOM 0 HG3 LYS A 37 19.079 -10.776 7.524 1.00 41.12 H new ATOM 0 HD2 LYS A 37 17.476 -9.338 9.327 1.00 44.24 H new ATOM 0 HD3 LYS A 37 19.086 -8.703 9.600 1.00 44.24 H new ATOM 0 HE2 LYS A 37 19.039 -8.796 6.855 1.00 10.11 H new ATOM 0 HE3 LYS A 37 17.347 -8.496 7.196 1.00 10.11 H new ATOM 0 HZ1 LYS A 37 18.571 -6.436 6.957 1.00 53.54 H new ATOM 0 HZ2 LYS A 37 17.986 -6.582 8.544 1.00 53.54 H new ATOM 0 HZ3 LYS A 37 19.626 -6.872 8.214 1.00 53.54 H new ATOM 608 N SER A 38 15.935 -10.808 6.737 1.00 21.40 N ATOM 609 CA SER A 38 15.806 -10.633 5.295 1.00 34.32 C ATOM 610 C SER A 38 17.172 -10.429 4.648 1.00 60.52 C ATOM 611 O SER A 38 17.875 -9.464 4.945 1.00 0.43 O ATOM 612 CB SER A 38 14.899 -9.441 4.984 1.00 35.23 C ATOM 613 OG SER A 38 15.605 -8.218 5.101 1.00 63.52 O ATOM 0 H SER A 38 15.342 -10.190 7.292 1.00 21.40 H new ATOM 0 HA SER A 38 15.360 -11.538 4.883 1.00 34.32 H new ATOM 0 HB2 SER A 38 14.499 -9.538 3.975 1.00 35.23 H new ATOM 0 HB3 SER A 38 14.048 -9.440 5.665 1.00 35.23 H new ATOM 0 HG SER A 38 16.547 -8.402 5.297 1.00 63.52 H new ATOM 619 N VAL A 39 17.542 -11.347 3.760 1.00 21.22 N ATOM 620 CA VAL A 39 18.823 -11.269 3.069 1.00 65.11 C ATOM 621 C VAL A 39 18.628 -11.127 1.564 1.00 61.44 C ATOM 622 O VAL A 39 18.990 -12.016 0.794 1.00 41.04 O ATOM 623 CB VAL A 39 19.689 -12.512 3.348 1.00 34.44 C ATOM 624 CG1 VAL A 39 20.324 -12.422 4.728 1.00 71.15 C ATOM 625 CG2 VAL A 39 18.857 -13.780 3.217 1.00 5.22 C ATOM 0 H VAL A 39 16.972 -12.153 3.503 1.00 21.22 H new ATOM 0 HA VAL A 39 19.335 -10.386 3.451 1.00 65.11 H new ATOM 0 HB VAL A 39 20.489 -12.550 2.608 1.00 34.44 H new ATOM 0 HG11 VAL A 39 20.932 -13.309 4.907 1.00 71.15 H new ATOM 0 HG12 VAL A 39 20.953 -11.534 4.782 1.00 71.15 H new ATOM 0 HG13 VAL A 39 19.542 -12.359 5.485 1.00 71.15 H new ATOM 0 HG21 VAL A 39 19.484 -14.649 3.417 1.00 5.22 H new ATOM 0 HG22 VAL A 39 18.036 -13.752 3.933 1.00 5.22 H new ATOM 0 HG23 VAL A 39 18.454 -13.848 2.206 1.00 5.22 H new ATOM 635 N GLY A 40 18.053 -10.002 1.150 1.00 33.22 N ATOM 636 CA GLY A 40 17.819 -9.764 -0.262 1.00 42.11 C ATOM 637 C GLY A 40 17.456 -8.322 -0.554 1.00 52.44 C ATOM 638 O GLY A 40 16.568 -7.757 0.084 1.00 42.43 O ATOM 0 H GLY A 40 17.745 -9.251 1.768 1.00 33.22 H new ATOM 0 HA2 GLY A 40 18.713 -10.032 -0.825 1.00 42.11 H new ATOM 0 HA3 GLY A 40 17.017 -10.415 -0.609 1.00 42.11 H new ATOM 642 N ALA A 41 18.145 -7.724 -1.521 1.00 13.41 N ATOM 643 CA ALA A 41 17.889 -6.339 -1.896 1.00 45.44 C ATOM 644 C ALA A 41 18.212 -6.100 -3.368 1.00 32.34 C ATOM 645 O ALA A 41 19.342 -6.314 -3.808 1.00 15.12 O ATOM 646 CB ALA A 41 18.698 -5.396 -1.017 1.00 41.15 C ATOM 0 H ALA A 41 18.884 -8.177 -2.058 1.00 13.41 H new ATOM 0 HA ALA A 41 16.828 -6.138 -1.746 1.00 45.44 H new ATOM 0 HB1 ALA A 41 18.497 -4.365 -1.308 1.00 41.15 H new ATOM 0 HB2 ALA A 41 18.417 -5.540 0.026 1.00 41.15 H new ATOM 0 HB3 ALA A 41 19.760 -5.607 -1.139 1.00 41.15 H new ATOM 652 N ARG A 42 17.212 -5.657 -4.123 1.00 63.44 N ATOM 653 CA ARG A 42 17.390 -5.392 -5.546 1.00 33.10 C ATOM 654 C ARG A 42 16.407 -4.328 -6.027 1.00 62.53 C ATOM 655 O ARG A 42 15.385 -4.079 -5.388 1.00 41.51 O ATOM 656 CB ARG A 42 17.202 -6.678 -6.354 1.00 10.25 C ATOM 657 CG ARG A 42 18.509 -7.323 -6.783 1.00 62.34 C ATOM 658 CD ARG A 42 19.308 -6.408 -7.699 1.00 33.33 C ATOM 659 NE ARG A 42 20.422 -7.107 -8.334 1.00 0.41 N ATOM 660 CZ ARG A 42 21.170 -6.576 -9.295 1.00 11.11 C ATOM 661 NH1 ARG A 42 20.924 -5.347 -9.729 1.00 31.42 N ATOM 662 NH2 ARG A 42 22.167 -7.274 -9.824 1.00 34.23 N ATOM 0 H ARG A 42 16.271 -5.474 -3.774 1.00 63.44 H new ATOM 0 HA ARG A 42 18.404 -5.021 -5.697 1.00 33.10 H new ATOM 0 HB2 ARG A 42 16.633 -7.392 -5.758 1.00 10.25 H new ATOM 0 HB3 ARG A 42 16.608 -6.457 -7.240 1.00 10.25 H new ATOM 0 HG2 ARG A 42 19.103 -7.566 -5.902 1.00 62.34 H new ATOM 0 HG3 ARG A 42 18.301 -8.262 -7.296 1.00 62.34 H new ATOM 0 HD2 ARG A 42 18.651 -6.000 -8.467 1.00 33.33 H new ATOM 0 HD3 ARG A 42 19.690 -5.564 -7.125 1.00 33.33 H new ATOM 0 HE ARG A 42 20.637 -8.054 -8.023 1.00 0.41 H new ATOM 0 HH11 ARG A 42 20.159 -4.807 -9.325 1.00 31.42 H new ATOM 0 HH12 ARG A 42 21.500 -4.942 -10.467 1.00 31.42 H new ATOM 0 HH21 ARG A 42 22.360 -8.219 -9.493 1.00 34.23 H new ATOM 0 HH22 ARG A 42 22.741 -6.865 -10.562 1.00 34.23 H new ATOM 676 N ASP A 43 16.724 -3.706 -7.157 1.00 4.51 N ATOM 677 CA ASP A 43 15.870 -2.669 -7.724 1.00 72.15 C ATOM 678 C ASP A 43 15.537 -2.977 -9.181 1.00 41.41 C ATOM 679 O ASP A 43 16.416 -2.977 -10.043 1.00 3.10 O ATOM 680 CB ASP A 43 16.551 -1.304 -7.621 1.00 52.52 C ATOM 681 CG ASP A 43 16.407 -0.688 -6.243 1.00 42.44 C ATOM 682 OD1 ASP A 43 15.275 -0.671 -5.716 1.00 3.14 O ATOM 683 OD2 ASP A 43 17.427 -0.223 -5.692 1.00 71.14 O ATOM 0 H ASP A 43 17.566 -3.902 -7.698 1.00 4.51 H new ATOM 0 HA ASP A 43 14.941 -2.646 -7.154 1.00 72.15 H new ATOM 0 HB2 ASP A 43 17.609 -1.410 -7.860 1.00 52.52 H new ATOM 0 HB3 ASP A 43 16.123 -0.631 -8.363 1.00 52.52 H new ATOM 688 N PHE A 44 14.262 -3.239 -9.449 1.00 21.12 N ATOM 689 CA PHE A 44 13.813 -3.550 -10.801 1.00 23.51 C ATOM 690 C PHE A 44 13.178 -2.329 -11.458 1.00 15.32 C ATOM 691 O PHE A 44 13.102 -1.257 -10.857 1.00 41.54 O ATOM 692 CB PHE A 44 12.813 -4.708 -10.775 1.00 60.11 C ATOM 693 CG PHE A 44 13.460 -6.061 -10.847 1.00 65.42 C ATOM 694 CD1 PHE A 44 14.582 -6.349 -10.086 1.00 33.12 C ATOM 695 CD2 PHE A 44 12.948 -7.046 -11.677 1.00 1.21 C ATOM 696 CE1 PHE A 44 15.180 -7.594 -10.149 1.00 53.34 C ATOM 697 CE2 PHE A 44 13.542 -8.292 -11.744 1.00 75.14 C ATOM 698 CZ PHE A 44 14.659 -8.566 -10.981 1.00 24.03 C ATOM 0 H PHE A 44 13.521 -3.242 -8.748 1.00 21.12 H new ATOM 0 HA PHE A 44 14.684 -3.844 -11.388 1.00 23.51 H new ATOM 0 HB2 PHE A 44 12.221 -4.646 -9.862 1.00 60.11 H new ATOM 0 HB3 PHE A 44 12.122 -4.600 -11.611 1.00 60.11 H new ATOM 0 HD1 PHE A 44 14.994 -5.592 -9.436 1.00 33.12 H new ATOM 0 HD2 PHE A 44 12.075 -6.837 -12.278 1.00 1.21 H new ATOM 0 HE1 PHE A 44 16.053 -7.806 -9.549 1.00 53.34 H new ATOM 0 HE2 PHE A 44 13.132 -9.051 -12.393 1.00 75.14 H new ATOM 0 HZ PHE A 44 15.125 -9.539 -11.034 1.00 24.03 H new ATOM 708 N ASP A 45 12.722 -2.499 -12.694 1.00 65.11 N ATOM 709 CA ASP A 45 12.093 -1.411 -13.434 1.00 34.43 C ATOM 710 C ASP A 45 10.677 -1.791 -13.857 1.00 41.34 C ATOM 711 O ASP A 45 9.722 -1.060 -13.592 1.00 23.51 O ATOM 712 CB ASP A 45 12.927 -1.052 -14.664 1.00 5.02 C ATOM 713 CG ASP A 45 12.579 0.314 -15.221 1.00 52.11 C ATOM 714 OD1 ASP A 45 11.394 0.536 -15.548 1.00 5.41 O ATOM 715 OD2 ASP A 45 13.491 1.161 -15.331 1.00 74.33 O ATOM 0 H ASP A 45 12.776 -3.380 -13.205 1.00 65.11 H new ATOM 0 HA ASP A 45 12.037 -0.542 -12.778 1.00 34.43 H new ATOM 0 HB2 ASP A 45 13.985 -1.075 -14.402 1.00 5.02 H new ATOM 0 HB3 ASP A 45 12.773 -1.806 -15.436 1.00 5.02 H new ATOM 720 N SER A 46 10.550 -2.937 -14.519 1.00 13.25 N ATOM 721 CA SER A 46 9.252 -3.411 -14.984 1.00 15.24 C ATOM 722 C SER A 46 8.840 -4.680 -14.244 1.00 14.24 C ATOM 723 O SER A 46 9.680 -5.508 -13.890 1.00 51.21 O ATOM 724 CB SER A 46 9.291 -3.675 -16.490 1.00 23.30 C ATOM 725 OG SER A 46 10.593 -4.048 -16.908 1.00 71.31 O ATOM 0 H SER A 46 11.330 -3.554 -14.745 1.00 13.25 H new ATOM 0 HA SER A 46 8.515 -2.635 -14.778 1.00 15.24 H new ATOM 0 HB2 SER A 46 8.584 -4.465 -16.742 1.00 23.30 H new ATOM 0 HB3 SER A 46 8.975 -2.781 -17.028 1.00 23.30 H new ATOM 0 HG SER A 46 10.592 -4.213 -17.874 1.00 71.31 H new ATOM 731 N THR A 47 7.539 -4.826 -14.012 1.00 33.41 N ATOM 732 CA THR A 47 7.013 -5.993 -13.313 1.00 45.33 C ATOM 733 C THR A 47 7.194 -7.258 -14.143 1.00 62.43 C ATOM 734 O THR A 47 7.324 -8.354 -13.599 1.00 64.33 O ATOM 735 CB THR A 47 5.520 -5.821 -12.978 1.00 31.21 C ATOM 736 OG1 THR A 47 5.169 -4.433 -12.999 1.00 63.01 O ATOM 737 CG2 THR A 47 5.201 -6.409 -11.612 1.00 20.33 C ATOM 0 H THR A 47 6.830 -4.151 -14.298 1.00 33.41 H new ATOM 0 HA THR A 47 7.577 -6.087 -12.385 1.00 45.33 H new ATOM 0 HB THR A 47 4.938 -6.353 -13.730 1.00 31.21 H new ATOM 0 HG1 THR A 47 4.218 -4.333 -12.787 1.00 63.01 H new ATOM 0 HG21 THR A 47 4.141 -6.276 -11.397 1.00 20.33 H new ATOM 0 HG22 THR A 47 5.441 -7.472 -11.608 1.00 20.33 H new ATOM 0 HG23 THR A 47 5.792 -5.901 -10.850 1.00 20.33 H new ATOM 745 N GLU A 48 7.202 -7.099 -15.463 1.00 72.11 N ATOM 746 CA GLU A 48 7.367 -8.231 -16.368 1.00 13.14 C ATOM 747 C GLU A 48 8.607 -9.042 -16.004 1.00 2.22 C ATOM 748 O GLU A 48 8.521 -10.240 -15.737 1.00 11.02 O ATOM 749 CB GLU A 48 7.468 -7.745 -17.815 1.00 70.10 C ATOM 750 CG GLU A 48 6.980 -8.761 -18.834 1.00 32.33 C ATOM 751 CD GLU A 48 6.703 -8.141 -20.190 1.00 31.44 C ATOM 752 OE1 GLU A 48 7.373 -7.147 -20.536 1.00 4.31 O ATOM 753 OE2 GLU A 48 5.815 -8.652 -20.904 1.00 62.05 O ATOM 0 H GLU A 48 7.096 -6.198 -15.929 1.00 72.11 H new ATOM 0 HA GLU A 48 6.492 -8.873 -16.269 1.00 13.14 H new ATOM 0 HB2 GLU A 48 6.889 -6.828 -17.923 1.00 70.10 H new ATOM 0 HB3 GLU A 48 8.506 -7.494 -18.033 1.00 70.10 H new ATOM 0 HG2 GLU A 48 7.727 -9.547 -18.944 1.00 32.33 H new ATOM 0 HG3 GLU A 48 6.071 -9.235 -18.463 1.00 32.33 H new ATOM 760 N GLN A 49 9.759 -8.379 -15.996 1.00 41.25 N ATOM 761 CA GLN A 49 11.017 -9.038 -15.667 1.00 23.00 C ATOM 762 C GLN A 49 10.996 -9.569 -14.237 1.00 52.52 C ATOM 763 O GLN A 49 11.648 -10.565 -13.924 1.00 32.42 O ATOM 764 CB GLN A 49 12.187 -8.069 -15.847 1.00 23.35 C ATOM 765 CG GLN A 49 11.974 -6.726 -15.168 1.00 5.31 C ATOM 766 CD GLN A 49 13.266 -5.954 -14.984 1.00 1.32 C ATOM 767 OE1 GLN A 49 14.264 -6.601 -14.392 1.00 33.50 O flip ATOM 768 NE2 GLN A 49 13.367 -4.788 -15.369 1.00 55.42 N flip ATOM 0 H GLN A 49 9.847 -7.386 -16.214 1.00 41.25 H new ATOM 0 HA GLN A 49 11.145 -9.881 -16.346 1.00 23.00 H new ATOM 0 HB2 GLN A 49 13.092 -8.528 -15.450 1.00 23.35 H new ATOM 0 HB3 GLN A 49 12.353 -7.906 -16.912 1.00 23.35 H new ATOM 0 HG2 GLN A 49 11.280 -6.130 -15.760 1.00 5.31 H new ATOM 0 HG3 GLN A 49 11.508 -6.885 -14.195 1.00 5.31 H new ATOM 0 HE21 GLN A 49 12.575 -4.329 -15.819 1.00 55.42 H new ATOM 0 HE22 GLN A 49 14.243 -4.282 -15.238 1.00 55.42 H new ATOM 777 N LEU A 50 10.243 -8.896 -13.373 1.00 70.35 N ATOM 778 CA LEU A 50 10.136 -9.300 -11.976 1.00 5.24 C ATOM 779 C LEU A 50 9.726 -10.764 -11.861 1.00 73.44 C ATOM 780 O LEU A 50 10.453 -11.580 -11.295 1.00 54.20 O ATOM 781 CB LEU A 50 9.124 -8.416 -11.245 1.00 2.11 C ATOM 782 CG LEU A 50 9.244 -8.377 -9.721 1.00 40.10 C ATOM 783 CD1 LEU A 50 8.657 -7.086 -9.172 1.00 50.23 C ATOM 784 CD2 LEU A 50 8.555 -9.584 -9.101 1.00 4.02 C ATOM 0 H LEU A 50 9.698 -8.069 -13.616 1.00 70.35 H new ATOM 0 HA LEU A 50 11.116 -9.180 -11.513 1.00 5.24 H new ATOM 0 HB2 LEU A 50 9.221 -7.398 -11.623 1.00 2.11 H new ATOM 0 HB3 LEU A 50 8.121 -8.757 -11.502 1.00 2.11 H new ATOM 0 HG LEU A 50 10.301 -8.412 -9.458 1.00 40.10 H new ATOM 0 HD11 LEU A 50 8.751 -7.076 -8.086 1.00 50.23 H new ATOM 0 HD12 LEU A 50 9.194 -6.235 -9.591 1.00 50.23 H new ATOM 0 HD13 LEU A 50 7.604 -7.020 -9.445 1.00 50.23 H new ATOM 0 HD21 LEU A 50 8.650 -9.540 -8.016 1.00 4.02 H new ATOM 0 HD22 LEU A 50 7.499 -9.580 -9.373 1.00 4.02 H new ATOM 0 HD23 LEU A 50 9.021 -10.498 -9.469 1.00 4.02 H new ATOM 796 N GLU A 51 8.557 -11.090 -12.405 1.00 62.21 N ATOM 797 CA GLU A 51 8.051 -12.457 -12.365 1.00 23.22 C ATOM 798 C GLU A 51 8.927 -13.386 -13.200 1.00 62.33 C ATOM 799 O GLU A 51 9.098 -14.560 -12.870 1.00 11.33 O ATOM 800 CB GLU A 51 6.608 -12.506 -12.872 1.00 5.21 C ATOM 801 CG GLU A 51 5.641 -11.685 -12.035 1.00 63.14 C ATOM 802 CD GLU A 51 5.506 -12.208 -10.619 1.00 21.44 C ATOM 803 OE1 GLU A 51 6.446 -12.011 -9.820 1.00 54.33 O ATOM 804 OE2 GLU A 51 4.460 -12.816 -10.309 1.00 13.34 O ATOM 0 H GLU A 51 7.943 -10.427 -12.878 1.00 62.21 H new ATOM 0 HA GLU A 51 8.076 -12.796 -11.329 1.00 23.22 H new ATOM 0 HB2 GLU A 51 6.581 -12.147 -13.901 1.00 5.21 H new ATOM 0 HB3 GLU A 51 6.272 -13.543 -12.888 1.00 5.21 H new ATOM 0 HG2 GLU A 51 5.981 -10.650 -12.005 1.00 63.14 H new ATOM 0 HG3 GLU A 51 4.662 -11.685 -12.513 1.00 63.14 H new ATOM 811 N SER A 52 9.479 -12.852 -14.285 1.00 65.41 N ATOM 812 CA SER A 52 10.334 -13.634 -15.171 1.00 42.12 C ATOM 813 C SER A 52 11.624 -14.039 -14.464 1.00 1.41 C ATOM 814 O SER A 52 12.259 -15.029 -14.827 1.00 1.13 O ATOM 815 CB SER A 52 10.661 -12.835 -16.434 1.00 71.14 C ATOM 816 OG SER A 52 11.175 -13.677 -17.452 1.00 22.35 O ATOM 0 H SER A 52 9.350 -11.882 -14.572 1.00 65.41 H new ATOM 0 HA SER A 52 9.794 -14.539 -15.451 1.00 42.12 H new ATOM 0 HB2 SER A 52 9.763 -12.332 -16.793 1.00 71.14 H new ATOM 0 HB3 SER A 52 11.389 -12.058 -16.198 1.00 71.14 H new ATOM 0 HG SER A 52 11.375 -13.143 -18.249 1.00 22.35 H new ATOM 822 N TRP A 53 12.004 -13.266 -13.453 1.00 45.44 N ATOM 823 CA TRP A 53 13.219 -13.543 -12.694 1.00 52.34 C ATOM 824 C TRP A 53 13.027 -14.750 -11.783 1.00 4.11 C ATOM 825 O TRP A 53 13.823 -15.689 -11.805 1.00 5.22 O ATOM 826 CB TRP A 53 13.617 -12.320 -11.866 1.00 32.34 C ATOM 827 CG TRP A 53 14.459 -12.660 -10.673 1.00 15.12 C ATOM 828 CD1 TRP A 53 14.199 -12.343 -9.370 1.00 22.41 C ATOM 829 CD2 TRP A 53 15.696 -13.379 -10.674 1.00 63.53 C ATOM 830 NE1 TRP A 53 15.201 -12.823 -8.561 1.00 63.02 N ATOM 831 CE2 TRP A 53 16.131 -13.463 -9.337 1.00 61.21 C ATOM 832 CE3 TRP A 53 16.478 -13.963 -11.675 1.00 25.05 C ATOM 833 CZ2 TRP A 53 17.313 -14.106 -8.978 1.00 10.52 C ATOM 834 CZ3 TRP A 53 17.651 -14.600 -11.316 1.00 44.13 C ATOM 835 CH2 TRP A 53 18.059 -14.668 -9.977 1.00 42.15 C ATOM 0 H TRP A 53 11.489 -12.443 -13.140 1.00 45.44 H new ATOM 0 HA TRP A 53 14.017 -13.769 -13.401 1.00 52.34 H new ATOM 0 HB2 TRP A 53 14.163 -11.622 -12.501 1.00 32.34 H new ATOM 0 HB3 TRP A 53 12.715 -11.807 -11.531 1.00 32.34 H new ATOM 0 HD1 TRP A 53 13.334 -11.796 -9.026 1.00 22.41 H new ATOM 0 HE1 TRP A 53 15.245 -12.719 -7.547 1.00 63.02 H new ATOM 0 HE3 TRP A 53 16.171 -13.917 -12.710 1.00 25.05 H new ATOM 0 HZ2 TRP A 53 17.629 -14.159 -7.947 1.00 10.52 H new ATOM 0 HZ3 TRP A 53 18.264 -15.053 -12.081 1.00 44.13 H new ATOM 0 HH2 TRP A 53 18.980 -15.174 -9.729 1.00 42.15 H new ATOM 846 N PHE A 54 11.967 -14.719 -10.982 1.00 61.45 N ATOM 847 CA PHE A 54 11.672 -15.812 -10.063 1.00 1.35 C ATOM 848 C PHE A 54 11.121 -17.021 -10.813 1.00 12.33 C ATOM 849 O PHE A 54 10.928 -18.090 -10.233 1.00 44.11 O ATOM 850 CB PHE A 54 10.669 -15.356 -9.001 1.00 4.44 C ATOM 851 CG PHE A 54 10.297 -16.435 -8.025 1.00 2.03 C ATOM 852 CD1 PHE A 54 11.147 -16.768 -6.982 1.00 61.25 C ATOM 853 CD2 PHE A 54 9.097 -17.117 -8.150 1.00 5.10 C ATOM 854 CE1 PHE A 54 10.807 -17.761 -6.082 1.00 45.34 C ATOM 855 CE2 PHE A 54 8.752 -18.110 -7.253 1.00 3.12 C ATOM 856 CZ PHE A 54 9.609 -18.433 -6.219 1.00 31.14 C ATOM 0 H PHE A 54 11.298 -13.949 -10.951 1.00 61.45 H new ATOM 0 HA PHE A 54 12.602 -16.103 -9.574 1.00 1.35 H new ATOM 0 HB2 PHE A 54 11.090 -14.512 -8.454 1.00 4.44 H new ATOM 0 HB3 PHE A 54 9.766 -14.998 -9.496 1.00 4.44 H new ATOM 0 HD1 PHE A 54 12.086 -16.246 -6.871 1.00 61.25 H new ATOM 0 HD2 PHE A 54 8.424 -16.870 -8.958 1.00 5.10 H new ATOM 0 HE1 PHE A 54 11.478 -18.011 -5.273 1.00 45.34 H new ATOM 0 HE2 PHE A 54 7.813 -18.633 -7.360 1.00 3.12 H new ATOM 0 HZ PHE A 54 9.342 -19.210 -5.518 1.00 31.14 H new ATOM 866 N TYR A 55 10.868 -16.843 -12.105 1.00 5.14 N ATOM 867 CA TYR A 55 10.336 -17.917 -12.934 1.00 65.34 C ATOM 868 C TYR A 55 11.413 -18.474 -13.861 1.00 51.34 C ATOM 869 O TYR A 55 11.320 -19.608 -14.329 1.00 1.20 O ATOM 870 CB TYR A 55 9.149 -17.414 -13.757 1.00 63.34 C ATOM 871 CG TYR A 55 8.714 -18.374 -14.842 1.00 3.11 C ATOM 872 CD1 TYR A 55 9.300 -18.341 -16.102 1.00 30.15 C ATOM 873 CD2 TYR A 55 7.717 -19.313 -14.607 1.00 42.45 C ATOM 874 CE1 TYR A 55 8.905 -19.215 -17.096 1.00 24.43 C ATOM 875 CE2 TYR A 55 7.317 -20.192 -15.595 1.00 44.31 C ATOM 876 CZ TYR A 55 7.914 -20.139 -16.838 1.00 22.15 C ATOM 877 OH TYR A 55 7.518 -21.012 -17.825 1.00 34.25 O ATOM 0 H TYR A 55 11.023 -15.965 -12.600 1.00 5.14 H new ATOM 0 HA TYR A 55 9.999 -18.718 -12.275 1.00 65.34 H new ATOM 0 HB2 TYR A 55 8.308 -17.228 -13.089 1.00 63.34 H new ATOM 0 HB3 TYR A 55 9.412 -16.459 -14.212 1.00 63.34 H new ATOM 0 HD1 TYR A 55 10.077 -17.620 -16.307 1.00 30.15 H new ATOM 0 HD2 TYR A 55 7.247 -19.356 -13.636 1.00 42.45 H new ATOM 0 HE1 TYR A 55 9.370 -19.175 -18.070 1.00 24.43 H new ATOM 0 HE2 TYR A 55 6.541 -20.917 -15.396 1.00 44.31 H new ATOM 0 HH TYR A 55 6.812 -21.597 -17.480 1.00 34.25 H new ATOM 887 N GLY A 56 12.436 -17.665 -14.122 1.00 70.31 N ATOM 888 CA GLY A 56 13.517 -18.093 -14.991 1.00 74.12 C ATOM 889 C GLY A 56 14.535 -18.953 -14.270 1.00 22.04 C ATOM 890 O GLY A 56 15.236 -19.752 -14.892 1.00 22.33 O ATOM 0 H GLY A 56 12.535 -16.722 -13.747 1.00 70.31 H new ATOM 0 HA2 GLY A 56 13.104 -18.652 -15.831 1.00 74.12 H new ATOM 0 HA3 GLY A 56 14.015 -17.216 -15.405 1.00 74.12 H new ATOM 894 N LEU A 57 14.619 -18.789 -12.954 1.00 65.11 N ATOM 895 CA LEU A 57 15.562 -19.556 -12.146 1.00 74.04 C ATOM 896 C LEU A 57 15.427 -21.050 -12.424 1.00 13.22 C ATOM 897 O LEU A 57 14.384 -21.532 -12.867 1.00 64.24 O ATOM 898 CB LEU A 57 15.332 -19.279 -10.660 1.00 24.15 C ATOM 899 CG LEU A 57 15.805 -17.917 -10.150 1.00 24.33 C ATOM 900 CD1 LEU A 57 14.884 -17.409 -9.052 1.00 11.12 C ATOM 901 CD2 LEU A 57 17.239 -18.005 -9.647 1.00 41.43 C ATOM 0 H LEU A 57 14.046 -18.132 -12.424 1.00 65.11 H new ATOM 0 HA LEU A 57 16.571 -19.245 -12.415 1.00 74.04 H new ATOM 0 HB2 LEU A 57 14.266 -19.371 -10.455 1.00 24.15 H new ATOM 0 HB3 LEU A 57 15.836 -20.055 -10.084 1.00 24.15 H new ATOM 0 HG LEU A 57 15.774 -17.209 -10.978 1.00 24.33 H new ATOM 0 HD11 LEU A 57 15.236 -16.439 -8.701 1.00 11.12 H new ATOM 0 HD12 LEU A 57 13.872 -17.308 -9.444 1.00 11.12 H new ATOM 0 HD13 LEU A 57 14.883 -18.116 -8.222 1.00 11.12 H new ATOM 0 HD21 LEU A 57 17.559 -17.027 -9.288 1.00 41.43 H new ATOM 0 HD22 LEU A 57 17.295 -18.727 -8.832 1.00 41.43 H new ATOM 0 HD23 LEU A 57 17.891 -18.324 -10.460 1.00 41.43 H new ATOM 913 N PRO A 58 16.505 -21.802 -12.155 1.00 55.40 N ATOM 914 CA PRO A 58 16.530 -23.252 -12.365 1.00 65.15 C ATOM 915 C PRO A 58 15.642 -23.997 -11.375 1.00 62.53 C ATOM 916 O PRO A 58 14.846 -24.852 -11.762 1.00 13.41 O ATOM 917 CB PRO A 58 18.001 -23.616 -12.144 1.00 74.43 C ATOM 918 CG PRO A 58 18.526 -22.545 -11.252 1.00 63.22 C ATOM 919 CD PRO A 58 17.781 -21.294 -11.624 1.00 52.54 C ATOM 0 HA PRO A 58 16.151 -23.528 -13.349 1.00 65.15 H new ATOM 0 HB2 PRO A 58 18.101 -24.599 -11.684 1.00 74.43 H new ATOM 0 HB3 PRO A 58 18.547 -23.649 -13.087 1.00 74.43 H new ATOM 0 HG2 PRO A 58 18.366 -22.797 -10.204 1.00 63.22 H new ATOM 0 HG3 PRO A 58 19.600 -22.415 -11.388 1.00 63.22 H new ATOM 0 HD2 PRO A 58 17.628 -20.646 -10.761 1.00 52.54 H new ATOM 0 HD3 PRO A 58 18.322 -20.710 -12.369 1.00 52.54 H new ATOM 927 N GLY A 59 15.784 -23.668 -10.095 1.00 3.20 N ATOM 928 CA GLY A 59 14.988 -24.316 -9.069 1.00 52.43 C ATOM 929 C GLY A 59 13.499 -24.163 -9.309 1.00 12.21 C ATOM 930 O GLY A 59 13.060 -23.198 -9.934 1.00 54.05 O ATOM 0 H GLY A 59 16.436 -22.964 -9.750 1.00 3.20 H new ATOM 0 HA2 GLY A 59 15.240 -25.376 -9.033 1.00 52.43 H new ATOM 0 HA3 GLY A 59 15.242 -23.895 -8.096 1.00 52.43 H new ATOM 934 N SER A 60 12.720 -25.118 -8.811 1.00 71.25 N ATOM 935 CA SER A 60 11.272 -25.088 -8.980 1.00 33.44 C ATOM 936 C SER A 60 10.579 -25.867 -7.865 1.00 64.54 C ATOM 937 O SER A 60 10.330 -27.065 -7.993 1.00 34.33 O ATOM 938 CB SER A 60 10.883 -25.669 -10.341 1.00 0.23 C ATOM 939 OG SER A 60 11.235 -27.039 -10.430 1.00 52.43 O ATOM 0 H SER A 60 13.067 -25.922 -8.288 1.00 71.25 H new ATOM 0 HA SER A 60 10.947 -24.049 -8.931 1.00 33.44 H new ATOM 0 HB2 SER A 60 9.810 -25.555 -10.495 1.00 0.23 H new ATOM 0 HB3 SER A 60 11.380 -25.110 -11.134 1.00 0.23 H new ATOM 0 HG SER A 60 10.938 -27.506 -9.621 1.00 52.43 H new ATOM 945 N GLY A 61 10.272 -25.177 -6.772 1.00 11.25 N ATOM 946 CA GLY A 61 9.612 -25.819 -5.650 1.00 14.20 C ATOM 947 C GLY A 61 10.507 -25.920 -4.431 1.00 15.23 C ATOM 948 O GLY A 61 11.153 -26.945 -4.209 1.00 14.24 O ATOM 0 H GLY A 61 10.468 -24.184 -6.643 1.00 11.25 H new ATOM 0 HA2 GLY A 61 8.714 -25.258 -5.392 1.00 14.20 H new ATOM 0 HA3 GLY A 61 9.291 -26.818 -5.945 1.00 14.20 H new ATOM 952 N LEU A 62 10.547 -24.854 -3.639 1.00 21.02 N ATOM 953 CA LEU A 62 11.371 -24.826 -2.436 1.00 4.25 C ATOM 954 C LEU A 62 12.838 -25.073 -2.774 1.00 50.32 C ATOM 955 O LEU A 62 13.629 -25.455 -1.913 1.00 34.51 O ATOM 956 CB LEU A 62 10.884 -25.875 -1.435 1.00 14.12 C ATOM 957 CG LEU A 62 9.516 -25.614 -0.802 1.00 24.13 C ATOM 958 CD1 LEU A 62 8.912 -26.910 -0.283 1.00 42.05 C ATOM 959 CD2 LEU A 62 9.634 -24.592 0.320 1.00 61.42 C ATOM 0 H LEU A 62 10.019 -23.998 -3.808 1.00 21.02 H new ATOM 0 HA LEU A 62 11.282 -23.836 -1.988 1.00 4.25 H new ATOM 0 HB2 LEU A 62 10.851 -26.841 -1.939 1.00 14.12 H new ATOM 0 HB3 LEU A 62 11.622 -25.957 -0.637 1.00 14.12 H new ATOM 0 HG LEU A 62 8.854 -25.209 -1.568 1.00 24.13 H new ATOM 0 HD11 LEU A 62 7.939 -26.705 0.164 1.00 42.05 H new ATOM 0 HD12 LEU A 62 8.791 -27.611 -1.109 1.00 42.05 H new ATOM 0 HD13 LEU A 62 9.572 -27.344 0.468 1.00 42.05 H new ATOM 0 HD21 LEU A 62 8.651 -24.418 0.759 1.00 61.42 H new ATOM 0 HD22 LEU A 62 10.312 -24.969 1.086 1.00 61.42 H new ATOM 0 HD23 LEU A 62 10.023 -23.656 -0.080 1.00 61.42 H new ATOM 971 N GLY A 63 13.195 -24.849 -4.035 1.00 52.44 N ATOM 972 CA GLY A 63 14.566 -25.050 -4.465 1.00 42.12 C ATOM 973 C GLY A 63 15.237 -23.758 -4.888 1.00 72.02 C ATOM 974 O GLY A 63 16.395 -23.512 -4.550 1.00 72.30 O ATOM 0 H GLY A 63 12.559 -24.532 -4.766 1.00 52.44 H new ATOM 0 HA2 GLY A 63 15.135 -25.502 -3.653 1.00 42.12 H new ATOM 0 HA3 GLY A 63 14.583 -25.754 -5.297 1.00 42.12 H new ATOM 978 N ARG A 64 14.509 -22.931 -5.631 1.00 53.21 N ATOM 979 CA ARG A 64 15.041 -21.659 -6.103 1.00 45.53 C ATOM 980 C ARG A 64 15.162 -20.660 -4.956 1.00 30.13 C ATOM 981 O ARG A 64 15.864 -19.654 -5.066 1.00 71.43 O ATOM 982 CB ARG A 64 14.146 -21.083 -7.202 1.00 44.03 C ATOM 983 CG ARG A 64 12.706 -20.871 -6.766 1.00 71.21 C ATOM 984 CD ARG A 64 11.824 -20.460 -7.935 1.00 65.31 C ATOM 985 NE ARG A 64 10.518 -21.112 -7.891 1.00 63.14 N ATOM 986 CZ ARG A 64 9.726 -21.243 -8.950 1.00 5.11 C ATOM 987 NH1 ARG A 64 10.106 -20.770 -10.129 1.00 5.23 N ATOM 988 NH2 ARG A 64 8.552 -21.849 -8.831 1.00 11.45 N ATOM 0 H ARG A 64 13.549 -23.119 -5.919 1.00 53.21 H new ATOM 0 HA ARG A 64 16.035 -21.840 -6.511 1.00 45.53 H new ATOM 0 HB2 ARG A 64 14.560 -20.131 -7.534 1.00 44.03 H new ATOM 0 HB3 ARG A 64 14.162 -21.754 -8.061 1.00 44.03 H new ATOM 0 HG2 ARG A 64 12.320 -21.789 -6.323 1.00 71.21 H new ATOM 0 HG3 ARG A 64 12.668 -20.104 -5.993 1.00 71.21 H new ATOM 0 HD2 ARG A 64 11.690 -19.378 -7.925 1.00 65.31 H new ATOM 0 HD3 ARG A 64 12.323 -20.711 -8.871 1.00 65.31 H new ATOM 0 HE ARG A 64 10.196 -21.487 -6.999 1.00 63.14 H new ATOM 0 HH11 ARG A 64 11.008 -20.304 -10.225 1.00 5.23 H new ATOM 0 HH12 ARG A 64 9.496 -20.872 -10.940 1.00 5.23 H new ATOM 0 HH21 ARG A 64 8.256 -22.215 -7.926 1.00 11.45 H new ATOM 0 HH22 ARG A 64 7.945 -21.949 -9.645 1.00 11.45 H new ATOM 1002 N ILE A 65 14.473 -20.945 -3.856 1.00 11.31 N ATOM 1003 CA ILE A 65 14.503 -20.072 -2.689 1.00 24.33 C ATOM 1004 C ILE A 65 15.936 -19.720 -2.303 1.00 21.53 C ATOM 1005 O ILE A 65 16.199 -18.640 -1.776 1.00 24.24 O ATOM 1006 CB ILE A 65 13.803 -20.723 -1.481 1.00 43.10 C ATOM 1007 CG1 ILE A 65 12.366 -21.103 -1.841 1.00 54.01 C ATOM 1008 CG2 ILE A 65 13.825 -19.782 -0.286 1.00 53.40 C ATOM 1009 CD1 ILE A 65 11.509 -19.921 -2.237 1.00 43.32 C ATOM 0 H ILE A 65 13.887 -21.773 -3.749 1.00 11.31 H new ATOM 0 HA ILE A 65 13.968 -19.162 -2.961 1.00 24.33 H new ATOM 0 HB ILE A 65 14.342 -21.631 -1.213 1.00 43.10 H new ATOM 0 HG12 ILE A 65 12.383 -21.820 -2.662 1.00 54.01 H new ATOM 0 HG13 ILE A 65 11.907 -21.605 -0.989 1.00 54.01 H new ATOM 0 HG21 ILE A 65 13.327 -20.256 0.560 1.00 53.40 H new ATOM 0 HG22 ILE A 65 14.858 -19.557 -0.019 1.00 53.40 H new ATOM 0 HG23 ILE A 65 13.306 -18.858 -0.541 1.00 53.40 H new ATOM 0 HD11 ILE A 65 10.504 -20.265 -2.479 1.00 43.32 H new ATOM 0 HD12 ILE A 65 11.461 -19.213 -1.410 1.00 43.32 H new ATOM 0 HD13 ILE A 65 11.944 -19.432 -3.108 1.00 43.32 H new ATOM 1021 N GLU A 66 16.858 -20.640 -2.571 1.00 2.23 N ATOM 1022 CA GLU A 66 18.265 -20.425 -2.252 1.00 31.40 C ATOM 1023 C GLU A 66 18.984 -19.730 -3.404 1.00 61.35 C ATOM 1024 O GLU A 66 19.916 -18.956 -3.191 1.00 54.54 O ATOM 1025 CB GLU A 66 18.949 -21.758 -1.939 1.00 73.02 C ATOM 1026 CG GLU A 66 19.189 -22.622 -3.166 1.00 55.20 C ATOM 1027 CD GLU A 66 19.124 -24.105 -2.857 1.00 13.10 C ATOM 1028 OE1 GLU A 66 18.009 -24.613 -2.616 1.00 70.21 O ATOM 1029 OE2 GLU A 66 20.189 -24.757 -2.857 1.00 32.25 O ATOM 0 H GLU A 66 16.656 -21.540 -3.007 1.00 2.23 H new ATOM 0 HA GLU A 66 18.318 -19.782 -1.373 1.00 31.40 H new ATOM 0 HB2 GLU A 66 19.904 -21.561 -1.451 1.00 73.02 H new ATOM 0 HB3 GLU A 66 18.337 -22.313 -1.228 1.00 73.02 H new ATOM 0 HG2 GLU A 66 18.447 -22.380 -3.927 1.00 55.20 H new ATOM 0 HG3 GLU A 66 20.166 -22.385 -3.587 1.00 55.20 H new ATOM 1036 N ASN A 67 18.544 -20.015 -4.626 1.00 44.41 N ATOM 1037 CA ASN A 67 19.146 -19.418 -5.813 1.00 63.21 C ATOM 1038 C ASN A 67 18.775 -17.943 -5.928 1.00 44.22 C ATOM 1039 O ASN A 67 19.647 -17.077 -5.994 1.00 10.54 O ATOM 1040 CB ASN A 67 18.698 -20.168 -7.069 1.00 52.12 C ATOM 1041 CG ASN A 67 19.429 -21.484 -7.249 1.00 32.43 C ATOM 1042 OD1 ASN A 67 19.061 -22.498 -6.654 1.00 11.51 O ATOM 1043 ND2 ASN A 67 20.471 -21.475 -8.072 1.00 13.01 N ATOM 0 H ASN A 67 17.774 -20.655 -4.820 1.00 44.41 H new ATOM 0 HA ASN A 67 20.229 -19.495 -5.719 1.00 63.21 H new ATOM 0 HB2 ASN A 67 17.626 -20.356 -7.013 1.00 52.12 H new ATOM 0 HB3 ASN A 67 18.867 -19.540 -7.943 1.00 52.12 H new ATOM 0 HD21 ASN A 67 21.002 -22.331 -8.232 1.00 13.01 H new ATOM 0 HD22 ASN A 67 20.741 -20.612 -8.544 1.00 13.01 H new ATOM 1050 N ALA A 68 17.476 -17.665 -5.952 1.00 30.12 N ATOM 1051 CA ALA A 68 16.989 -16.295 -6.056 1.00 64.02 C ATOM 1052 C ALA A 68 17.480 -15.448 -4.887 1.00 41.42 C ATOM 1053 O ALA A 68 18.010 -14.354 -5.081 1.00 11.12 O ATOM 1054 CB ALA A 68 15.469 -16.278 -6.121 1.00 64.32 C ATOM 0 H ALA A 68 16.741 -18.371 -5.901 1.00 30.12 H new ATOM 0 HA ALA A 68 17.385 -15.864 -6.975 1.00 64.02 H new ATOM 0 HB1 ALA A 68 15.120 -15.248 -6.198 1.00 64.32 H new ATOM 0 HB2 ALA A 68 15.136 -16.841 -6.993 1.00 64.32 H new ATOM 0 HB3 ALA A 68 15.061 -16.733 -5.218 1.00 64.32 H new ATOM 1060 N MET A 69 17.299 -15.960 -3.674 1.00 44.32 N ATOM 1061 CA MET A 69 17.725 -15.249 -2.474 1.00 32.00 C ATOM 1062 C MET A 69 19.210 -14.906 -2.543 1.00 34.34 C ATOM 1063 O MET A 69 19.595 -13.746 -2.409 1.00 12.32 O ATOM 1064 CB MET A 69 17.441 -16.092 -1.229 1.00 11.41 C ATOM 1065 CG MET A 69 17.826 -15.404 0.071 1.00 53.11 C ATOM 1066 SD MET A 69 18.403 -16.563 1.326 1.00 71.14 S ATOM 1067 CE MET A 69 16.879 -17.413 1.728 1.00 74.42 C ATOM 0 H MET A 69 16.861 -16.864 -3.496 1.00 44.32 H new ATOM 0 HA MET A 69 17.159 -14.320 -2.412 1.00 32.00 H new ATOM 0 HB2 MET A 69 16.379 -16.337 -1.200 1.00 11.41 H new ATOM 0 HB3 MET A 69 17.984 -17.034 -1.307 1.00 11.41 H new ATOM 0 HG2 MET A 69 18.608 -14.671 -0.128 1.00 53.11 H new ATOM 0 HG3 MET A 69 16.966 -14.856 0.456 1.00 53.11 H new ATOM 0 HE1 MET A 69 16.929 -17.786 2.751 1.00 74.42 H new ATOM 0 HE2 MET A 69 16.041 -16.722 1.634 1.00 74.42 H new ATOM 0 HE3 MET A 69 16.738 -18.250 1.044 1.00 74.42 H new ATOM 1077 N ASN A 70 20.038 -15.924 -2.751 1.00 63.25 N ATOM 1078 CA ASN A 70 21.481 -15.730 -2.837 1.00 2.02 C ATOM 1079 C ASN A 70 21.840 -14.829 -4.014 1.00 40.43 C ATOM 1080 O ASN A 70 22.944 -14.289 -4.081 1.00 61.43 O ATOM 1081 CB ASN A 70 22.191 -17.078 -2.977 1.00 72.24 C ATOM 1082 CG ASN A 70 23.684 -16.974 -2.731 1.00 35.35 C ATOM 1083 OD1 ASN A 70 24.136 -16.161 -1.925 1.00 14.32 O ATOM 1084 ND2 ASN A 70 24.457 -17.801 -3.425 1.00 52.44 N ATOM 0 H ASN A 70 19.735 -16.891 -2.863 1.00 63.25 H new ATOM 0 HA ASN A 70 21.812 -15.246 -1.918 1.00 2.02 H new ATOM 0 HB2 ASN A 70 21.758 -17.788 -2.273 1.00 72.24 H new ATOM 0 HB3 ASN A 70 22.017 -17.475 -3.977 1.00 72.24 H new ATOM 0 HD21 ASN A 70 25.469 -17.778 -3.300 1.00 52.44 H new ATOM 0 HD22 ASN A 70 24.039 -18.459 -4.083 1.00 52.44 H new ATOM 1091 N GLU A 71 20.899 -14.670 -4.940 1.00 32.13 N ATOM 1092 CA GLU A 71 21.117 -13.834 -6.114 1.00 74.14 C ATOM 1093 C GLU A 71 20.765 -12.379 -5.819 1.00 53.13 C ATOM 1094 O GLU A 71 21.481 -11.462 -6.222 1.00 63.24 O ATOM 1095 CB GLU A 71 20.283 -14.343 -7.292 1.00 34.31 C ATOM 1096 CG GLU A 71 20.958 -15.452 -8.082 1.00 33.04 C ATOM 1097 CD GLU A 71 21.757 -14.927 -9.258 1.00 54.25 C ATOM 1098 OE1 GLU A 71 21.158 -14.715 -10.334 1.00 31.10 O ATOM 1099 OE2 GLU A 71 22.980 -14.728 -9.105 1.00 14.34 O ATOM 0 H GLU A 71 19.979 -15.109 -4.899 1.00 32.13 H new ATOM 0 HA GLU A 71 22.174 -13.888 -6.376 1.00 74.14 H new ATOM 0 HB2 GLU A 71 19.325 -14.706 -6.918 1.00 34.31 H new ATOM 0 HB3 GLU A 71 20.069 -13.510 -7.962 1.00 34.31 H new ATOM 0 HG2 GLU A 71 21.618 -16.014 -7.421 1.00 33.04 H new ATOM 0 HG3 GLU A 71 20.201 -16.148 -8.444 1.00 33.04 H new ATOM 1106 N ILE A 72 19.657 -12.175 -5.114 1.00 71.54 N ATOM 1107 CA ILE A 72 19.210 -10.833 -4.765 1.00 2.20 C ATOM 1108 C ILE A 72 19.982 -10.291 -3.567 1.00 44.20 C ATOM 1109 O ILE A 72 20.093 -9.079 -3.383 1.00 50.45 O ATOM 1110 CB ILE A 72 17.704 -10.806 -4.445 1.00 72.12 C ATOM 1111 CG1 ILE A 72 16.898 -11.321 -5.639 1.00 55.34 C ATOM 1112 CG2 ILE A 72 17.267 -9.398 -4.071 1.00 54.34 C ATOM 1113 CD1 ILE A 72 17.141 -10.542 -6.913 1.00 71.33 C ATOM 0 H ILE A 72 19.053 -12.923 -4.773 1.00 71.54 H new ATOM 0 HA ILE A 72 19.400 -10.202 -5.633 1.00 2.20 H new ATOM 0 HB ILE A 72 17.516 -11.461 -3.594 1.00 72.12 H new ATOM 0 HG12 ILE A 72 17.146 -12.368 -5.810 1.00 55.34 H new ATOM 0 HG13 ILE A 72 15.836 -11.281 -5.395 1.00 55.34 H new ATOM 0 HG21 ILE A 72 16.200 -9.395 -3.848 1.00 54.34 H new ATOM 0 HG22 ILE A 72 17.822 -9.066 -3.194 1.00 54.34 H new ATOM 0 HG23 ILE A 72 17.465 -8.722 -4.903 1.00 54.34 H new ATOM 0 HD11 ILE A 72 16.537 -10.962 -7.717 1.00 71.33 H new ATOM 0 HD12 ILE A 72 16.865 -9.499 -6.760 1.00 71.33 H new ATOM 0 HD13 ILE A 72 18.196 -10.603 -7.181 1.00 71.33 H new ATOM 1125 N SER A 73 20.517 -11.197 -2.755 1.00 72.40 N ATOM 1126 CA SER A 73 21.278 -10.811 -1.573 1.00 11.32 C ATOM 1127 C SER A 73 22.618 -10.197 -1.966 1.00 62.13 C ATOM 1128 O SER A 73 23.238 -9.477 -1.183 1.00 34.32 O ATOM 1129 CB SER A 73 21.505 -12.023 -0.668 1.00 2.25 C ATOM 1130 OG SER A 73 21.753 -11.622 0.669 1.00 53.01 O ATOM 0 H SER A 73 20.437 -12.204 -2.894 1.00 72.40 H new ATOM 0 HA SER A 73 20.701 -10.063 -1.028 1.00 11.32 H new ATOM 0 HB2 SER A 73 20.631 -12.673 -0.700 1.00 2.25 H new ATOM 0 HB3 SER A 73 22.349 -12.605 -1.039 1.00 2.25 H new ATOM 0 HG SER A 73 22.304 -10.811 0.671 1.00 53.01 H new ATOM 1136 N ARG A 74 23.060 -10.488 -3.186 1.00 14.33 N ATOM 1137 CA ARG A 74 24.327 -9.966 -3.684 1.00 34.31 C ATOM 1138 C ARG A 74 24.396 -8.451 -3.514 1.00 74.53 C ATOM 1139 O ARG A 74 25.238 -7.937 -2.779 1.00 2.01 O ATOM 1140 CB ARG A 74 24.510 -10.334 -5.158 1.00 33.15 C ATOM 1141 CG ARG A 74 24.440 -11.829 -5.425 1.00 44.34 C ATOM 1142 CD ARG A 74 25.706 -12.536 -4.966 1.00 73.22 C ATOM 1143 NE ARG A 74 25.922 -13.790 -5.683 1.00 24.12 N ATOM 1144 CZ ARG A 74 26.288 -13.854 -6.958 1.00 53.14 C ATOM 1145 NH1 ARG A 74 26.477 -12.741 -7.654 1.00 15.02 N ATOM 1146 NH2 ARG A 74 26.465 -15.033 -7.541 1.00 4.13 N ATOM 0 H ARG A 74 22.559 -11.082 -3.847 1.00 14.33 H new ATOM 0 HA ARG A 74 25.131 -10.416 -3.101 1.00 34.31 H new ATOM 0 HB2 ARG A 74 23.743 -9.832 -5.747 1.00 33.15 H new ATOM 0 HB3 ARG A 74 25.473 -9.957 -5.501 1.00 33.15 H new ATOM 0 HG2 ARG A 74 23.578 -12.252 -4.909 1.00 44.34 H new ATOM 0 HG3 ARG A 74 24.291 -12.003 -6.491 1.00 44.34 H new ATOM 0 HD2 ARG A 74 26.563 -11.880 -5.117 1.00 73.22 H new ATOM 0 HD3 ARG A 74 25.642 -12.736 -3.896 1.00 73.22 H new ATOM 0 HE ARG A 74 25.784 -14.665 -5.177 1.00 24.12 H new ATOM 0 HH11 ARG A 74 26.341 -11.833 -7.210 1.00 15.02 H new ATOM 0 HH12 ARG A 74 26.758 -12.793 -8.633 1.00 15.02 H new ATOM 0 HH21 ARG A 74 26.320 -15.892 -7.010 1.00 4.13 H new ATOM 0 HH22 ARG A 74 26.746 -15.081 -8.520 1.00 4.13 H new ATOM 1160 N ARG A 75 23.504 -7.743 -4.200 1.00 62.31 N ATOM 1161 CA ARG A 75 23.465 -6.288 -4.127 1.00 1.33 C ATOM 1162 C ARG A 75 22.884 -5.826 -2.793 1.00 41.05 C ATOM 1163 O ARG A 75 21.700 -5.505 -2.700 1.00 31.20 O ATOM 1164 CB ARG A 75 22.636 -5.720 -5.280 1.00 44.24 C ATOM 1165 CG ARG A 75 22.862 -4.236 -5.519 1.00 53.32 C ATOM 1166 CD ARG A 75 24.146 -3.985 -6.294 1.00 51.20 C ATOM 1167 NE ARG A 75 24.022 -4.368 -7.698 1.00 12.41 N ATOM 1168 CZ ARG A 75 25.061 -4.622 -8.485 1.00 43.40 C ATOM 1169 NH1 ARG A 75 26.295 -4.534 -8.008 1.00 22.41 N ATOM 1170 NH2 ARG A 75 24.867 -4.964 -9.752 1.00 64.22 N ATOM 0 H ARG A 75 22.799 -8.154 -4.812 1.00 62.31 H new ATOM 0 HA ARG A 75 24.487 -5.918 -4.207 1.00 1.33 H new ATOM 0 HB2 ARG A 75 22.875 -6.267 -6.192 1.00 44.24 H new ATOM 0 HB3 ARG A 75 21.579 -5.890 -5.074 1.00 44.24 H new ATOM 0 HG2 ARG A 75 22.017 -3.822 -6.069 1.00 53.32 H new ATOM 0 HG3 ARG A 75 22.905 -3.715 -4.563 1.00 53.32 H new ATOM 0 HD2 ARG A 75 24.409 -2.929 -6.228 1.00 51.20 H new ATOM 0 HD3 ARG A 75 24.961 -4.545 -5.836 1.00 51.20 H new ATOM 0 HE ARG A 75 23.086 -4.445 -8.096 1.00 12.41 H new ATOM 0 HH11 ARG A 75 26.448 -4.271 -7.034 1.00 22.41 H new ATOM 0 HH12 ARG A 75 27.091 -4.730 -8.615 1.00 22.41 H new ATOM 0 HH21 ARG A 75 23.919 -5.032 -10.122 1.00 64.22 H new ATOM 0 HH22 ARG A 75 25.666 -5.159 -10.356 1.00 64.22 H new ATOM 1184 N GLU A 76 23.726 -5.796 -1.765 1.00 44.13 N ATOM 1185 CA GLU A 76 23.295 -5.375 -0.438 1.00 2.24 C ATOM 1186 C GLU A 76 23.705 -3.930 -0.165 1.00 24.51 C ATOM 1187 O GLU A 76 24.807 -3.511 -0.515 1.00 44.41 O ATOM 1188 CB GLU A 76 23.888 -6.295 0.631 1.00 30.33 C ATOM 1189 CG GLU A 76 25.400 -6.421 0.556 1.00 44.23 C ATOM 1190 CD GLU A 76 25.965 -7.326 1.634 1.00 43.54 C ATOM 1191 OE1 GLU A 76 25.390 -8.410 1.860 1.00 60.40 O ATOM 1192 OE2 GLU A 76 26.983 -6.948 2.251 1.00 45.05 O ATOM 0 H GLU A 76 24.710 -6.058 -1.826 1.00 44.13 H new ATOM 0 HA GLU A 76 22.208 -5.439 -0.400 1.00 2.24 H new ATOM 0 HB2 GLU A 76 23.612 -5.919 1.616 1.00 30.33 H new ATOM 0 HB3 GLU A 76 23.444 -7.286 0.532 1.00 30.33 H new ATOM 0 HG2 GLU A 76 25.680 -6.810 -0.423 1.00 44.23 H new ATOM 0 HG3 GLU A 76 25.848 -5.431 0.646 1.00 44.23 H new ATOM 1199 N ASN A 77 22.809 -3.175 0.462 1.00 22.42 N ATOM 1200 CA ASN A 77 23.077 -1.778 0.781 1.00 13.42 C ATOM 1201 C ASN A 77 24.231 -1.657 1.772 1.00 51.14 C ATOM 1202 O ASN A 77 24.585 -2.608 2.469 1.00 0.42 O ATOM 1203 CB ASN A 77 21.824 -1.116 1.358 1.00 14.21 C ATOM 1204 CG ASN A 77 20.957 -0.485 0.285 1.00 31.03 C ATOM 1205 OD1 ASN A 77 21.336 0.513 -0.327 1.00 10.50 O ATOM 1206 ND2 ASN A 77 19.786 -1.067 0.053 1.00 10.22 N ATOM 0 H ASN A 77 21.891 -3.507 0.759 1.00 22.42 H new ATOM 0 HA ASN A 77 23.358 -1.269 -0.141 1.00 13.42 H new ATOM 0 HB2 ASN A 77 21.241 -1.860 1.902 1.00 14.21 H new ATOM 0 HB3 ASN A 77 22.119 -0.353 2.079 1.00 14.21 H new ATOM 0 HD21 ASN A 77 19.160 -0.688 -0.657 1.00 10.22 H new ATOM 0 HD22 ASN A 77 19.513 -1.893 0.585 1.00 10.22 H new ATOM 1213 N PRO A 78 24.832 -0.460 1.836 1.00 4.22 N ATOM 1214 CA PRO A 78 25.955 -0.185 2.738 1.00 33.44 C ATOM 1215 C PRO A 78 25.529 -0.160 4.202 1.00 12.23 C ATOM 1216 O PRO A 78 24.623 -0.888 4.608 1.00 24.31 O ATOM 1217 CB PRO A 78 26.434 1.200 2.297 1.00 64.53 C ATOM 1218 CG PRO A 78 25.238 1.835 1.677 1.00 61.14 C ATOM 1219 CD PRO A 78 24.463 0.718 1.034 1.00 54.42 C ATOM 0 HA PRO A 78 26.724 -0.955 2.678 1.00 33.44 H new ATOM 0 HB2 PRO A 78 26.796 1.782 3.144 1.00 64.53 H new ATOM 0 HB3 PRO A 78 27.257 1.126 1.586 1.00 64.53 H new ATOM 0 HG2 PRO A 78 24.635 2.347 2.427 1.00 61.14 H new ATOM 0 HG3 PRO A 78 25.531 2.582 0.939 1.00 61.14 H new ATOM 0 HD2 PRO A 78 23.389 0.904 1.065 1.00 54.42 H new ATOM 0 HD3 PRO A 78 24.735 0.592 -0.014 1.00 54.42 H new TER 1227 PRO A 78