USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 242 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 10 TYR OH : rot -103:sc= 0.187 USER MOD Set 1.2: A 28 SER OG : rot 170:sc= 1.71 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 12 GLN :FLIP amide:sc= -0.0689 F(o=-2.7!,f=-0.069) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.0984 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.994 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.127 F(o=-1,f=-0.13) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc=-0.00532 (180deg=-0.117) USER MOD Single : A 14 ASN :FLIP amide:sc=-0.00545 F(o=-0.62,f=-0.0055) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0672 F(o=-1,f=-0.067) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.27) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.55) USER MOD Single : A 26 MET CE :methyl 149:sc= -0.319 (180deg=-1.56) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.469 -0.668 2.121 1.00 0.00 N ATOM 2 CA ALA A 1 -15.447 -0.415 1.082 1.00 0.00 C ATOM 3 C ALA A 1 -14.562 0.757 1.484 1.00 0.00 C ATOM 4 O ALA A 1 -14.917 1.533 2.373 1.00 0.00 O ATOM 5 CB ALA A 1 -16.112 -0.133 -0.258 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.315 -1.608 2.538 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.396 0.057 2.863 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.416 -0.631 1.693 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.826 -1.306 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.347 0.051 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.714 -0.993 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.752 0.745 -0.169 1.00 0.00 H new ATOM 10 N SER A 2 -13.413 0.885 0.833 1.00 0.00 N ATOM 11 CA SER A 2 -12.507 1.999 1.110 1.00 0.00 C ATOM 12 C SER A 2 -11.550 2.234 -0.070 1.00 0.00 C ATOM 13 O SER A 2 -10.331 2.185 0.097 1.00 0.00 O ATOM 14 CB SER A 2 -11.709 1.715 2.398 1.00 0.00 C ATOM 15 OG SER A 2 -11.226 2.914 2.987 1.00 0.00 O ATOM 0 H SER A 2 -13.086 0.239 0.115 1.00 0.00 H new ATOM 0 HA SER A 2 -13.100 2.903 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.343 1.188 3.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.870 1.057 2.170 1.00 0.00 H new ATOM 0 HG SER A 2 -10.726 2.700 3.802 1.00 0.00 H new ATOM 21 N PRO A 3 -12.087 2.502 -1.282 1.00 0.00 N ATOM 22 CA PRO A 3 -11.265 2.685 -2.491 1.00 0.00 C ATOM 23 C PRO A 3 -10.259 3.833 -2.377 1.00 0.00 C ATOM 24 O PRO A 3 -9.119 3.716 -2.831 1.00 0.00 O ATOM 25 CB PRO A 3 -12.286 2.984 -3.597 1.00 0.00 C ATOM 26 CG PRO A 3 -13.579 2.456 -3.085 1.00 0.00 C ATOM 27 CD PRO A 3 -13.529 2.619 -1.580 1.00 0.00 C ATOM 0 HA PRO A 3 -10.655 1.801 -2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.349 4.054 -3.797 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.006 2.501 -4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.420 3.004 -3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.710 1.409 -3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.930 3.582 -1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.110 1.850 -1.071 1.00 0.00 H new ATOM 35 N GLN A 4 -10.673 4.933 -1.758 1.00 0.00 N ATOM 36 CA GLN A 4 -9.825 6.120 -1.673 1.00 0.00 C ATOM 37 C GLN A 4 -8.648 5.879 -0.741 1.00 0.00 C ATOM 38 O GLN A 4 -7.502 6.190 -1.077 1.00 0.00 O ATOM 39 CB GLN A 4 -10.623 7.341 -1.197 1.00 0.00 C ATOM 40 CG GLN A 4 -11.669 7.838 -2.193 1.00 0.00 C ATOM 41 CD GLN A 4 -12.451 9.033 -1.679 1.00 0.00 C ATOM 42 OE1 GLN A 4 -12.638 9.110 -0.369 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -12.892 9.879 -2.457 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.584 5.029 -1.310 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.447 6.323 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.121 7.092 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.928 8.153 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.175 8.107 -3.127 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.361 7.027 -2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.727 9.785 -3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.422 10.674 -2.099 1.00 0.00 H new ATOM 52 N GLN A 5 -8.930 5.316 0.424 1.00 0.00 N ATOM 53 CA GLN A 5 -7.883 5.015 1.392 1.00 0.00 C ATOM 54 C GLN A 5 -6.964 3.920 0.868 1.00 0.00 C ATOM 55 O GLN A 5 -5.771 3.891 1.175 1.00 0.00 O ATOM 56 CB GLN A 5 -8.470 4.601 2.743 1.00 0.00 C ATOM 57 CG GLN A 5 -9.070 5.760 3.536 1.00 0.00 C ATOM 58 CD GLN A 5 -8.036 6.798 3.950 1.00 0.00 C ATOM 59 OE1 GLN A 5 -6.805 6.370 4.195 1.00 0.00 O flip ATOM 60 NE2 GLN A 5 -8.346 7.984 4.059 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.871 5.059 0.723 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.303 5.926 1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.241 3.848 2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.688 4.131 3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.841 6.243 2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.560 5.368 4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.302 8.281 3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.647 8.670 4.345 1.00 0.00 H new ATOM 69 N ALA A 6 -7.527 3.020 0.077 1.00 0.00 N ATOM 70 CA ALA A 6 -6.748 1.953 -0.535 1.00 0.00 C ATOM 71 C ALA A 6 -5.731 2.514 -1.519 1.00 0.00 C ATOM 72 O ALA A 6 -4.577 2.085 -1.543 1.00 0.00 O ATOM 73 CB ALA A 6 -7.655 0.946 -1.223 1.00 0.00 C ATOM 0 H ALA A 6 -8.520 3.006 -0.157 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.206 1.440 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.050 0.159 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.334 0.508 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.233 1.448 -1.999 1.00 0.00 H new ATOM 79 N LYS A 7 -6.157 3.498 -2.307 1.00 0.00 N ATOM 80 CA LYS A 7 -5.279 4.119 -3.291 1.00 0.00 C ATOM 81 C LYS A 7 -4.130 4.830 -2.580 1.00 0.00 C ATOM 82 O LYS A 7 -2.992 4.826 -3.047 1.00 0.00 O ATOM 83 CB LYS A 7 -6.071 5.105 -4.162 1.00 0.00 C ATOM 84 CG LYS A 7 -5.326 5.579 -5.403 1.00 0.00 C ATOM 85 CD LYS A 7 -4.994 4.407 -6.332 1.00 0.00 C ATOM 86 CE LYS A 7 -4.326 4.869 -7.627 1.00 0.00 C ATOM 87 NZ LYS A 7 -3.091 5.654 -7.368 1.00 0.00 N ATOM 0 H LYS A 7 -7.102 3.881 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.865 3.347 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.004 4.632 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.338 5.973 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.933 6.310 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.406 6.084 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.335 3.710 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.909 3.864 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.082 4.000 -8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.027 5.475 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.589 5.817 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.344 6.568 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.475 5.127 -6.717 1.00 0.00 H new ATOM 101 N TYR A 8 -4.444 5.412 -1.431 1.00 0.00 N ATOM 102 CA TYR A 8 -3.449 6.063 -0.588 1.00 0.00 C ATOM 103 C TYR A 8 -2.484 5.031 -0.007 1.00 0.00 C ATOM 104 O TYR A 8 -1.274 5.260 0.056 1.00 0.00 O ATOM 105 CB TYR A 8 -4.154 6.827 0.538 1.00 0.00 C ATOM 106 CG TYR A 8 -3.225 7.572 1.465 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.719 8.816 1.120 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.870 7.036 2.697 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.882 9.505 1.974 1.00 0.00 C ATOM 110 CE2 TYR A 8 -2.033 7.716 3.554 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.542 8.950 3.190 1.00 0.00 C ATOM 112 OH TYR A 8 -0.713 9.634 4.045 1.00 0.00 O ATOM 0 H TYR A 8 -5.392 5.447 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.874 6.765 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.853 7.537 0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.744 6.122 1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.984 9.252 0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.257 6.070 2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.495 10.473 1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.763 7.284 4.506 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.574 9.105 4.858 1.00 0.00 H new ATOM 122 N CYS A 9 -3.029 3.894 0.407 1.00 0.00 N ATOM 123 CA CYS A 9 -2.229 2.817 0.986 1.00 0.00 C ATOM 124 C CYS A 9 -1.240 2.274 -0.040 1.00 0.00 C ATOM 125 O CYS A 9 -0.047 2.174 0.234 1.00 0.00 O ATOM 126 CB CYS A 9 -3.133 1.686 1.499 1.00 0.00 C ATOM 127 SG CYS A 9 -2.243 0.344 2.351 1.00 0.00 S ATOM 0 H CYS A 9 -4.027 3.691 0.353 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.670 3.224 1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.871 2.108 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.682 1.265 0.657 1.00 0.00 H new ATOM 132 N TYR A 10 -1.737 1.953 -1.233 1.00 0.00 N ATOM 133 CA TYR A 10 -0.892 1.414 -2.297 1.00 0.00 C ATOM 134 C TYR A 10 0.134 2.437 -2.766 1.00 0.00 C ATOM 135 O TYR A 10 1.145 2.084 -3.370 1.00 0.00 O ATOM 136 CB TYR A 10 -1.731 0.964 -3.495 1.00 0.00 C ATOM 137 CG TYR A 10 -2.413 -0.368 -3.312 1.00 0.00 C ATOM 138 CD1 TYR A 10 -3.768 -0.453 -3.024 1.00 0.00 C ATOM 139 CD2 TYR A 10 -1.698 -1.546 -3.452 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.389 -1.677 -2.883 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.308 -2.772 -3.307 1.00 0.00 C ATOM 142 CZ TYR A 10 -3.656 -2.834 -3.024 1.00 0.00 C ATOM 143 OH TYR A 10 -4.276 -4.056 -2.887 1.00 0.00 O ATOM 0 H TYR A 10 -2.719 2.057 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.370 0.553 -1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.488 1.721 -3.698 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.089 0.912 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.345 0.453 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.643 -1.502 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.445 -1.727 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.734 -3.680 -3.414 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.067 -4.432 -2.007 1.00 0.00 H new ATOM 153 N GLU A 11 -0.135 3.703 -2.515 1.00 0.00 N ATOM 154 CA GLU A 11 0.803 4.743 -2.873 1.00 0.00 C ATOM 155 C GLU A 11 1.931 4.807 -1.849 1.00 0.00 C ATOM 156 O GLU A 11 3.096 4.567 -2.172 1.00 0.00 O ATOM 157 CB GLU A 11 0.107 6.100 -2.963 1.00 0.00 C ATOM 158 CG GLU A 11 0.879 7.103 -3.801 1.00 0.00 C ATOM 159 CD GLU A 11 0.988 6.670 -5.250 1.00 0.00 C ATOM 160 OE1 GLU A 11 0.222 7.195 -6.084 1.00 0.00 O ATOM 161 OE2 GLU A 11 1.822 5.793 -5.560 1.00 0.00 O ATOM 0 H GLU A 11 -0.990 4.033 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 11 1.218 4.503 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.887 5.966 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.029 6.501 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.386 8.074 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.878 7.230 -3.385 1.00 0.00 H new ATOM 168 N GLN A 12 1.568 5.090 -0.603 1.00 0.00 N ATOM 169 CA GLN A 12 2.545 5.332 0.446 1.00 0.00 C ATOM 170 C GLN A 12 3.305 4.069 0.833 1.00 0.00 C ATOM 171 O GLN A 12 4.421 4.159 1.330 1.00 0.00 O ATOM 172 CB GLN A 12 1.865 5.941 1.675 1.00 0.00 C ATOM 173 CG GLN A 12 1.308 7.328 1.419 1.00 0.00 C ATOM 174 CD GLN A 12 2.338 8.431 1.589 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.606 8.112 1.380 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 1.995 9.565 1.917 1.00 0.00 N flip ATOM 0 H GLN A 12 0.598 5.157 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 12 3.275 6.038 0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.057 5.285 1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.583 5.989 2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.906 7.369 0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.476 7.509 2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.009 9.775 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.697 10.296 2.036 1.00 0.00 H new ATOM 185 N CYS A 13 2.716 2.902 0.585 1.00 0.00 N ATOM 186 CA CYS A 13 3.345 1.636 0.965 1.00 0.00 C ATOM 187 C CYS A 13 4.744 1.527 0.354 1.00 0.00 C ATOM 188 O CYS A 13 5.731 1.331 1.066 1.00 0.00 O ATOM 189 CB CYS A 13 2.466 0.442 0.533 1.00 0.00 C ATOM 190 SG CYS A 13 2.300 0.234 -1.269 1.00 0.00 S ATOM 0 H CYS A 13 1.810 2.804 0.126 1.00 0.00 H new ATOM 0 HA CYS A 13 3.443 1.612 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.886 -0.472 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.472 0.565 0.964 1.00 0.00 H new ATOM 195 N ASN A 14 4.831 1.688 -0.958 1.00 0.00 N ATOM 196 CA ASN A 14 6.119 1.619 -1.649 1.00 0.00 C ATOM 197 C ASN A 14 6.944 2.881 -1.393 1.00 0.00 C ATOM 198 O ASN A 14 8.175 2.832 -1.382 1.00 0.00 O ATOM 199 CB ASN A 14 5.929 1.399 -3.160 1.00 0.00 C ATOM 200 CG ASN A 14 7.240 1.156 -3.892 1.00 0.00 C ATOM 201 OD1 ASN A 14 8.189 0.494 -3.241 1.00 0.00 O flip ATOM 202 ND2 ASN A 14 7.393 1.540 -5.051 1.00 0.00 N flip ATOM 0 H ASN A 14 4.032 1.867 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 14 6.663 0.764 -1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.267 0.547 -3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.435 2.270 -3.590 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.644 2.046 -5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.269 1.352 -5.539 1.00 0.00 H new ATOM 209 N VAL A 15 6.269 4.006 -1.163 1.00 0.00 N ATOM 210 CA VAL A 15 6.959 5.265 -0.914 1.00 0.00 C ATOM 211 C VAL A 15 7.718 5.205 0.408 1.00 0.00 C ATOM 212 O VAL A 15 8.834 5.720 0.515 1.00 0.00 O ATOM 213 CB VAL A 15 5.988 6.471 -0.906 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.712 7.750 -0.502 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.337 6.650 -2.273 1.00 0.00 C ATOM 0 H VAL A 15 5.251 4.069 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 15 7.664 5.410 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 15 5.209 6.266 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.008 8.583 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.131 7.631 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.516 7.952 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.659 7.503 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.108 6.825 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.778 5.750 -2.530 1.00 0.00 H new ATOM 225 N ASN A 16 7.122 4.567 1.413 1.00 0.00 N ATOM 226 CA ASN A 16 7.801 4.396 2.690 1.00 0.00 C ATOM 227 C ASN A 16 8.954 3.424 2.506 1.00 0.00 C ATOM 228 O ASN A 16 10.109 3.842 2.441 1.00 0.00 O ATOM 229 CB ASN A 16 6.841 3.866 3.767 1.00 0.00 C ATOM 230 CG ASN A 16 5.656 4.778 4.020 1.00 0.00 C ATOM 231 OD1 ASN A 16 5.840 6.069 3.825 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 4.578 4.319 4.390 1.00 0.00 N flip ATOM 0 H ASN A 16 6.185 4.166 1.368 1.00 0.00 H new ATOM 0 HA ASN A 16 8.172 5.366 3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.476 2.884 3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.391 3.730 4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.473 3.314 4.530 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.788 4.943 4.557 1.00 0.00 H new ATOM 239 N LYS A 17 8.621 2.135 2.392 1.00 0.00 N ATOM 240 CA LYS A 17 9.546 1.109 1.922 1.00 0.00 C ATOM 241 C LYS A 17 8.902 -0.280 2.011 1.00 0.00 C ATOM 242 O LYS A 17 9.109 -1.007 2.985 1.00 0.00 O ATOM 243 CB LYS A 17 10.869 1.126 2.706 1.00 0.00 C ATOM 244 CG LYS A 17 10.705 1.086 4.216 1.00 0.00 C ATOM 245 CD LYS A 17 12.063 1.114 4.902 1.00 0.00 C ATOM 246 CE LYS A 17 11.920 1.196 6.412 1.00 0.00 C ATOM 247 NZ LYS A 17 13.240 1.201 7.093 1.00 0.00 N ATOM 0 H LYS A 17 7.695 1.776 2.626 1.00 0.00 H new ATOM 0 HA LYS A 17 9.773 1.333 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.472 0.273 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.425 2.024 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.107 1.936 4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.164 0.185 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.625 0.219 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.636 1.968 4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.372 2.100 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.331 0.350 6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.100 1.258 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.753 0.327 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.793 2.022 6.773 1.00 0.00 H new ATOM 261 N VAL A 18 8.125 -0.666 1.000 1.00 0.00 N ATOM 262 CA VAL A 18 7.603 -2.030 0.923 1.00 0.00 C ATOM 263 C VAL A 18 7.457 -2.425 -0.548 1.00 0.00 C ATOM 264 O VAL A 18 7.269 -1.564 -1.410 1.00 0.00 O ATOM 265 CB VAL A 18 6.219 -2.223 1.636 1.00 0.00 C ATOM 266 CG1 VAL A 18 6.098 -1.395 2.909 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.071 -1.929 0.689 1.00 0.00 C ATOM 0 H VAL A 18 7.845 -0.060 0.229 1.00 0.00 H new ATOM 0 HA VAL A 18 8.318 -2.665 1.446 1.00 0.00 H new ATOM 0 HB VAL A 18 6.163 -3.271 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.122 -1.566 3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.880 -1.688 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.206 -0.338 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.124 -2.071 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.142 -0.899 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.121 -2.606 -0.164 1.00 0.00 H new ATOM 277 N PRO A 19 7.606 -3.718 -0.858 1.00 0.00 N ATOM 278 CA PRO A 19 7.266 -4.266 -2.177 1.00 0.00 C ATOM 279 C PRO A 19 5.752 -4.257 -2.408 1.00 0.00 C ATOM 280 O PRO A 19 4.981 -4.301 -1.450 1.00 0.00 O ATOM 281 CB PRO A 19 7.783 -5.711 -2.122 1.00 0.00 C ATOM 282 CG PRO A 19 8.674 -5.776 -0.927 1.00 0.00 C ATOM 283 CD PRO A 19 8.158 -4.742 0.033 1.00 0.00 C ATOM 0 HA PRO A 19 7.702 -3.684 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.959 -6.419 -2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.328 -5.967 -3.031 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.653 -6.769 -0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.709 -5.572 -1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.398 -5.151 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.953 -4.344 0.664 1.00 0.00 H new ATOM 291 N PHE A 20 5.327 -4.213 -3.669 1.00 0.00 N ATOM 292 CA PHE A 20 3.899 -4.161 -3.993 1.00 0.00 C ATOM 293 C PHE A 20 3.163 -5.387 -3.455 1.00 0.00 C ATOM 294 O PHE A 20 2.021 -5.282 -3.006 1.00 0.00 O ATOM 295 CB PHE A 20 3.679 -4.048 -5.504 1.00 0.00 C ATOM 296 CG PHE A 20 2.248 -3.764 -5.870 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.355 -4.800 -6.097 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.796 -2.460 -5.981 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.038 -4.539 -6.427 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.483 -2.194 -6.310 1.00 0.00 C ATOM 301 CZ PHE A 20 -0.398 -3.234 -6.534 1.00 0.00 C ATOM 0 H PHE A 20 5.945 -4.212 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 20 3.493 -3.272 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.314 -3.255 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.993 -4.976 -5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.692 -5.823 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.479 -1.642 -5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.648 -5.355 -6.601 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.144 -1.172 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.426 -3.026 -6.792 1.00 0.00 H new ATOM 311 N ASP A 21 3.809 -6.547 -3.499 1.00 0.00 N ATOM 312 CA ASP A 21 3.214 -7.765 -2.952 1.00 0.00 C ATOM 313 C ASP A 21 2.916 -7.591 -1.465 1.00 0.00 C ATOM 314 O ASP A 21 1.933 -8.130 -0.951 1.00 0.00 O ATOM 315 CB ASP A 21 4.119 -8.985 -3.176 1.00 0.00 C ATOM 316 CG ASP A 21 5.490 -8.853 -2.538 1.00 0.00 C ATOM 317 OD1 ASP A 21 5.640 -9.217 -1.353 1.00 0.00 O ATOM 318 OD2 ASP A 21 6.432 -8.406 -3.229 1.00 0.00 O ATOM 0 H ASP A 21 4.737 -6.672 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 21 2.278 -7.943 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.626 -9.871 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.240 -9.144 -4.247 1.00 0.00 H new ATOM 323 N GLN A 22 3.758 -6.819 -0.787 1.00 0.00 N ATOM 324 CA GLN A 22 3.535 -6.477 0.609 1.00 0.00 C ATOM 325 C GLN A 22 2.403 -5.458 0.729 1.00 0.00 C ATOM 326 O GLN A 22 1.595 -5.529 1.659 1.00 0.00 O ATOM 327 CB GLN A 22 4.813 -5.931 1.242 1.00 0.00 C ATOM 328 CG GLN A 22 4.646 -5.540 2.699 1.00 0.00 C ATOM 329 CD GLN A 22 4.298 -6.717 3.589 1.00 0.00 C ATOM 330 OE1 GLN A 22 5.178 -7.404 4.104 1.00 0.00 O ATOM 331 NE2 GLN A 22 3.011 -6.952 3.781 1.00 0.00 N ATOM 0 H GLN A 22 4.606 -6.417 -1.187 1.00 0.00 H new ATOM 0 HA GLN A 22 3.249 -7.382 1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.598 -6.683 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.147 -5.061 0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.569 -5.082 3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.863 -4.786 2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.312 -6.358 3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.717 -7.727 4.375 1.00 0.00 H new ATOM 340 N CYS A 23 2.344 -4.510 -0.209 1.00 0.00 N ATOM 341 CA CYS A 23 1.226 -3.569 -0.267 1.00 0.00 C ATOM 342 C CYS A 23 -0.088 -4.337 -0.357 1.00 0.00 C ATOM 343 O CYS A 23 -1.065 -4.004 0.308 1.00 0.00 O ATOM 344 CB CYS A 23 1.335 -2.624 -1.475 1.00 0.00 C ATOM 345 SG CYS A 23 2.886 -1.683 -1.587 1.00 0.00 S ATOM 0 H CYS A 23 3.051 -4.375 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 23 1.256 -2.968 0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.219 -3.211 -2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.504 -1.920 -1.441 1.00 0.00 H new ATOM 350 N TYR A 24 -0.088 -5.384 -1.170 1.00 0.00 N ATOM 351 CA TYR A 24 -1.270 -6.210 -1.369 1.00 0.00 C ATOM 352 C TYR A 24 -1.652 -6.941 -0.078 1.00 0.00 C ATOM 353 O TYR A 24 -2.805 -7.306 0.120 1.00 0.00 O ATOM 354 CB TYR A 24 -1.026 -7.221 -2.495 1.00 0.00 C ATOM 355 CG TYR A 24 -2.290 -7.649 -3.200 1.00 0.00 C ATOM 356 CD1 TYR A 24 -3.150 -8.575 -2.631 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.623 -7.116 -4.436 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.308 -8.959 -3.272 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.780 -7.494 -5.086 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.622 -8.415 -4.500 1.00 0.00 C ATOM 361 OH TYR A 24 -5.781 -8.793 -5.143 1.00 0.00 O ATOM 0 H TYR A 24 0.726 -5.683 -1.707 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.097 -5.558 -1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.342 -6.785 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.533 -8.101 -2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.909 -9.003 -1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.966 -6.393 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.967 -9.683 -2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.025 -7.071 -6.049 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.852 -8.316 -5.996 1.00 0.00 H new ATOM 371 N GLN A 25 -0.694 -7.138 0.810 1.00 0.00 N ATOM 372 CA GLN A 25 -0.968 -7.859 2.046 1.00 0.00 C ATOM 373 C GLN A 25 -1.527 -6.926 3.114 1.00 0.00 C ATOM 374 O GLN A 25 -2.291 -7.347 3.978 1.00 0.00 O ATOM 375 CB GLN A 25 0.287 -8.569 2.570 1.00 0.00 C ATOM 376 CG GLN A 25 0.703 -9.781 1.732 1.00 0.00 C ATOM 377 CD GLN A 25 -0.450 -10.741 1.503 1.00 0.00 C ATOM 378 OE1 GLN A 25 -1.177 -10.633 0.513 1.00 0.00 O ATOM 379 NE2 GLN A 25 -0.633 -11.677 2.417 1.00 0.00 N ATOM 0 H GLN A 25 0.268 -6.815 0.704 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.719 -8.616 1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.112 -7.857 2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.110 -8.891 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.087 -9.441 0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.517 -10.305 2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.009 -11.733 3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.398 -12.344 2.318 1.00 0.00 H new ATOM 388 N MET A 26 -1.134 -5.663 3.062 1.00 0.00 N ATOM 389 CA MET A 26 -1.618 -4.681 4.023 1.00 0.00 C ATOM 390 C MET A 26 -2.879 -3.971 3.525 1.00 0.00 C ATOM 391 O MET A 26 -3.872 -3.871 4.245 1.00 0.00 O ATOM 392 CB MET A 26 -0.514 -3.661 4.328 1.00 0.00 C ATOM 393 CG MET A 26 -0.997 -2.415 5.070 1.00 0.00 C ATOM 394 SD MET A 26 0.324 -1.212 5.357 1.00 0.00 S ATOM 395 CE MET A 26 1.005 -1.008 3.711 1.00 0.00 C ATOM 0 H MET A 26 -0.484 -5.294 2.368 1.00 0.00 H new ATOM 0 HA MET A 26 -1.884 -5.210 4.938 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.259 -4.147 4.923 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.050 -3.354 3.391 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.794 -1.942 4.496 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.426 -2.711 6.027 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.390 0.006 3.599 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.815 -1.722 3.561 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.225 -1.184 2.970 1.00 0.00 H new ATOM 405 N CYS A 27 -2.844 -3.491 2.289 1.00 0.00 N ATOM 406 CA CYS A 27 -3.905 -2.628 1.774 1.00 0.00 C ATOM 407 C CYS A 27 -5.164 -3.406 1.395 1.00 0.00 C ATOM 408 O CYS A 27 -6.274 -2.912 1.582 1.00 0.00 O ATOM 409 CB CYS A 27 -3.400 -1.831 0.566 1.00 0.00 C ATOM 410 SG CYS A 27 -1.818 -0.974 0.865 1.00 0.00 S ATOM 0 H CYS A 27 -2.095 -3.683 1.624 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.177 -1.945 2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.283 -2.507 -0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.154 -1.096 0.285 1.00 0.00 H new ATOM 415 N SER A 28 -5.005 -4.614 0.864 1.00 0.00 N ATOM 416 CA SER A 28 -6.159 -5.397 0.428 1.00 0.00 C ATOM 417 C SER A 28 -7.131 -5.712 1.579 1.00 0.00 C ATOM 418 O SER A 28 -8.327 -5.472 1.432 1.00 0.00 O ATOM 419 CB SER A 28 -5.720 -6.665 -0.305 1.00 0.00 C ATOM 420 OG SER A 28 -4.944 -6.328 -1.440 1.00 0.00 O ATOM 0 H SER A 28 -4.102 -5.068 0.726 1.00 0.00 H new ATOM 0 HA SER A 28 -6.713 -4.777 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.141 -7.300 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.595 -7.239 -0.611 1.00 0.00 H new ATOM 0 HG SER A 28 -4.535 -7.139 -1.809 1.00 0.00 H new ATOM 426 N PRO A 29 -6.659 -6.239 2.740 1.00 0.00 N ATOM 427 CA PRO A 29 -7.528 -6.486 3.909 1.00 0.00 C ATOM 428 C PRO A 29 -8.307 -5.247 4.361 1.00 0.00 C ATOM 429 O PRO A 29 -9.344 -5.359 5.014 1.00 0.00 O ATOM 430 CB PRO A 29 -6.548 -6.912 4.999 1.00 0.00 C ATOM 431 CG PRO A 29 -5.414 -7.519 4.254 1.00 0.00 C ATOM 432 CD PRO A 29 -5.276 -6.694 2.998 1.00 0.00 C ATOM 0 HA PRO A 29 -8.294 -7.226 3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.222 -6.060 5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.002 -7.627 5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.498 -7.494 4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.613 -8.564 4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.596 -5.854 3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.885 -7.284 2.169 1.00 0.00 H new ATOM 440 N LEU A 30 -7.790 -4.075 4.019 1.00 0.00 N ATOM 441 CA LEU A 30 -8.456 -2.811 4.316 1.00 0.00 C ATOM 442 C LEU A 30 -9.704 -2.646 3.455 1.00 0.00 C ATOM 443 O LEU A 30 -10.805 -2.419 3.961 1.00 0.00 O ATOM 444 CB LEU A 30 -7.492 -1.635 4.072 1.00 0.00 C ATOM 445 CG LEU A 30 -8.167 -0.281 3.820 1.00 0.00 C ATOM 446 CD1 LEU A 30 -8.947 0.180 5.042 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.135 0.763 3.413 1.00 0.00 C ATOM 0 H LEU A 30 -6.901 -3.972 3.530 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.755 -2.817 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.834 -1.540 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.862 -1.874 3.216 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.875 -0.405 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.414 1.142 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.717 -0.554 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.269 0.282 5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.632 1.717 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.400 0.877 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.634 0.442 2.500 1.00 0.00 H new ATOM 459 N GLU A 31 -9.521 -2.768 2.156 1.00 0.00 N ATOM 460 CA GLU A 31 -10.600 -2.527 1.204 1.00 0.00 C ATOM 461 C GLU A 31 -11.521 -3.741 1.117 1.00 0.00 C ATOM 462 O GLU A 31 -12.736 -3.623 1.271 1.00 0.00 O ATOM 463 CB GLU A 31 -10.018 -2.196 -0.178 1.00 0.00 C ATOM 464 CG GLU A 31 -10.926 -1.337 -1.072 1.00 0.00 C ATOM 465 CD GLU A 31 -12.293 -1.942 -1.323 1.00 0.00 C ATOM 466 OE1 GLU A 31 -12.394 -2.917 -2.099 1.00 0.00 O ATOM 467 OE2 GLU A 31 -13.276 -1.430 -0.759 1.00 0.00 O ATOM 0 H GLU A 31 -8.634 -3.033 1.729 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.188 -1.677 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.070 -1.676 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.799 -3.129 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.052 -0.358 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.430 -1.176 -2.029 1.00 0.00 H new ATOM 474 N ARG A 32 -10.935 -4.908 0.907 1.00 0.00 N ATOM 475 CA ARG A 32 -11.710 -6.104 0.626 1.00 0.00 C ATOM 476 C ARG A 32 -11.260 -7.257 1.518 1.00 0.00 C ATOM 477 O ARG A 32 -10.142 -7.759 1.383 1.00 0.00 O ATOM 478 CB ARG A 32 -11.551 -6.482 -0.858 1.00 0.00 C ATOM 479 CG ARG A 32 -12.562 -7.515 -1.369 1.00 0.00 C ATOM 480 CD ARG A 32 -13.998 -6.991 -1.340 1.00 0.00 C ATOM 481 NE ARG A 32 -14.069 -5.531 -1.462 1.00 0.00 N ATOM 482 CZ ARG A 32 -15.193 -4.830 -1.351 1.00 0.00 C ATOM 483 NH1 ARG A 32 -16.346 -5.451 -1.144 1.00 0.00 N ATOM 484 NH2 ARG A 32 -15.161 -3.507 -1.436 1.00 0.00 N ATOM 0 H ARG A 32 -9.925 -5.052 0.926 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.761 -5.903 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.640 -5.578 -1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.545 -6.871 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.303 -7.799 -2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.495 -8.417 -0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.564 -7.448 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.474 -7.297 -0.408 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.203 -5.023 -1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.371 -6.468 -1.070 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.208 -4.912 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.274 -3.027 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.024 -2.969 -1.351 1.00 0.00 H new ATOM 498 N SER A 33 -12.127 -7.666 2.430 1.00 0.00 N ATOM 499 CA SER A 33 -11.819 -8.754 3.348 1.00 0.00 C ATOM 500 C SER A 33 -13.116 -9.371 3.864 1.00 0.00 C ATOM 501 CB SER A 33 -10.960 -8.240 4.516 1.00 0.00 C ATOM 502 OG SER A 33 -10.388 -9.308 5.255 1.00 0.00 O ATOM 0 H SER A 33 -13.054 -7.260 2.556 1.00 0.00 H new ATOM 0 HA SER A 33 -11.250 -9.519 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.168 -7.598 4.130 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.573 -7.627 5.177 1.00 0.00 H new ATOM 0 HG SER A 33 -9.848 -8.946 5.988 1.00 0.00 H new TER 508 SER A 33