USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=13 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 8 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN :FLIP amide:sc= 0.0334 F(o=-2.7!,f=0.033) USER MOD Single : A 1 ALA N :NH3+ 175:sc= 0 (180deg=-0.0268) USER MOD Single : A 2 SER OG : rot 180:sc= -0.674 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 5 GLN : amide:sc= -2.01! C(o=-2!,f=-7.1!) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= -0.477 (180deg=-0.651) USER MOD Single : A 10 TYR OH : rot 150:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0852 X(o=-0.085,f=-0.12) USER MOD Single : A 16 ASN : amide:sc= -0.01 K(o=-0.01,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -0.105 (180deg=-0.523) USER MOD Single : A 22 GLN : amide:sc= -2.26! C(o=-2.3!,f=-5.3!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.388 F(o=-1.1,f=-0.39) USER MOD Single : A 26 MET CE :methyl 149:sc= -0.334 (180deg=-1.03) USER MOD Single : A 28 SER OG : rot -92:sc= -1.7! USER MOD Single : A 33 SER OG : rot -67:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.110 0.085 -0.559 1.00 0.00 N ATOM 2 CA ALA A 1 -15.947 1.300 -0.667 1.00 0.00 C ATOM 3 C ALA A 1 -15.211 2.507 -0.094 1.00 0.00 C ATOM 4 O ALA A 1 -15.784 3.304 0.647 1.00 0.00 O ATOM 5 CB ALA A 1 -17.275 1.091 0.050 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.656 -0.742 -0.875 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.265 0.191 -1.157 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.819 -0.049 0.430 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.150 1.492 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.881 1.993 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.805 0.252 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.090 0.878 1.103 1.00 0.00 H new ATOM 10 N SER A 2 -13.939 2.642 -0.451 1.00 0.00 N ATOM 11 CA SER A 2 -13.103 3.724 0.063 1.00 0.00 C ATOM 12 C SER A 2 -11.922 3.964 -0.887 1.00 0.00 C ATOM 13 O SER A 2 -10.764 3.821 -0.492 1.00 0.00 O ATOM 14 CB SER A 2 -12.593 3.369 1.476 1.00 0.00 C ATOM 15 OG SER A 2 -12.108 4.515 2.158 1.00 0.00 O ATOM 0 H SER A 2 -13.461 2.014 -1.097 1.00 0.00 H new ATOM 0 HA SER A 2 -13.695 4.637 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.400 2.916 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.799 2.626 1.401 1.00 0.00 H new ATOM 0 HG SER A 2 -11.794 4.257 3.050 1.00 0.00 H new ATOM 21 N PRO A 3 -12.205 4.340 -2.156 1.00 0.00 N ATOM 22 CA PRO A 3 -11.173 4.484 -3.197 1.00 0.00 C ATOM 23 C PRO A 3 -10.011 5.388 -2.793 1.00 0.00 C ATOM 24 O PRO A 3 -8.859 4.970 -2.840 1.00 0.00 O ATOM 25 CB PRO A 3 -11.925 5.092 -4.383 1.00 0.00 C ATOM 26 CG PRO A 3 -13.342 4.691 -4.179 1.00 0.00 C ATOM 27 CD PRO A 3 -13.554 4.645 -2.679 1.00 0.00 C ATOM 0 HA PRO A 3 -10.708 3.521 -3.409 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.820 6.177 -4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.540 4.716 -5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.020 5.405 -4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.541 3.719 -4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.929 5.594 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.277 3.880 -2.398 1.00 0.00 H new ATOM 35 N GLN A 4 -10.319 6.616 -2.386 1.00 0.00 N ATOM 36 CA GLN A 4 -9.288 7.599 -2.052 1.00 0.00 C ATOM 37 C GLN A 4 -8.371 7.090 -0.944 1.00 0.00 C ATOM 38 O GLN A 4 -7.146 7.179 -1.046 1.00 0.00 O ATOM 39 CB GLN A 4 -9.933 8.927 -1.633 1.00 0.00 C ATOM 40 CG GLN A 4 -8.926 9.993 -1.205 1.00 0.00 C ATOM 41 CD GLN A 4 -9.587 11.251 -0.665 1.00 0.00 C ATOM 42 OE1 GLN A 4 -10.769 11.575 -1.167 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -9.033 11.935 0.195 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.275 6.956 -2.279 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.682 7.761 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.524 9.312 -2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.623 8.741 -0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.268 9.578 -0.441 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.299 10.256 -2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.122 11.656 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.485 12.781 0.543 1.00 0.00 H new ATOM 52 N GLN A 5 -8.965 6.534 0.100 1.00 0.00 N ATOM 53 CA GLN A 5 -8.191 6.058 1.238 1.00 0.00 C ATOM 54 C GLN A 5 -7.406 4.805 0.878 1.00 0.00 C ATOM 55 O GLN A 5 -6.250 4.649 1.282 1.00 0.00 O ATOM 56 CB GLN A 5 -9.084 5.794 2.452 1.00 0.00 C ATOM 57 CG GLN A 5 -9.680 7.057 3.077 1.00 0.00 C ATOM 58 CD GLN A 5 -8.623 7.995 3.659 1.00 0.00 C ATOM 59 OE1 GLN A 5 -7.490 8.054 3.178 1.00 0.00 O ATOM 60 NE2 GLN A 5 -8.978 8.741 4.698 1.00 0.00 N ATOM 0 H GLN A 5 -9.973 6.401 0.184 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.485 6.846 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.896 5.131 2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.503 5.267 3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.255 7.592 2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.377 6.771 3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.923 8.672 5.076 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.306 9.383 5.118 1.00 0.00 H new ATOM 69 N ALA A 6 -8.028 3.914 0.119 1.00 0.00 N ATOM 70 CA ALA A 6 -7.349 2.711 -0.338 1.00 0.00 C ATOM 71 C ALA A 6 -6.207 3.075 -1.277 1.00 0.00 C ATOM 72 O ALA A 6 -5.141 2.462 -1.240 1.00 0.00 O ATOM 73 CB ALA A 6 -8.317 1.756 -1.022 1.00 0.00 C ATOM 0 H ALA A 6 -8.996 4.001 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.940 2.202 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.779 0.867 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.100 1.467 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.766 2.249 -1.884 1.00 0.00 H new ATOM 79 N LYS A 7 -6.432 4.095 -2.097 1.00 0.00 N ATOM 80 CA LYS A 7 -5.415 4.578 -3.019 1.00 0.00 C ATOM 81 C LYS A 7 -4.210 5.092 -2.243 1.00 0.00 C ATOM 82 O LYS A 7 -3.066 4.858 -2.629 1.00 0.00 O ATOM 83 CB LYS A 7 -5.983 5.692 -3.911 1.00 0.00 C ATOM 84 CG LYS A 7 -4.999 6.215 -4.946 1.00 0.00 C ATOM 85 CD LYS A 7 -4.621 5.130 -5.955 1.00 0.00 C ATOM 86 CE LYS A 7 -3.525 5.603 -6.906 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.280 5.955 -6.174 1.00 0.00 N ATOM 0 H LYS A 7 -7.315 4.605 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.101 3.751 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.869 5.317 -4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.306 6.520 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.437 7.064 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.101 6.578 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.283 4.240 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.502 4.843 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.311 4.820 -7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.877 6.470 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.513 6.125 -6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.440 6.815 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.015 5.172 -5.543 1.00 0.00 H new ATOM 101 N TYR A 8 -4.478 5.770 -1.131 1.00 0.00 N ATOM 102 CA TYR A 8 -3.422 6.319 -0.288 1.00 0.00 C ATOM 103 C TYR A 8 -2.615 5.191 0.349 1.00 0.00 C ATOM 104 O TYR A 8 -1.393 5.283 0.490 1.00 0.00 O ATOM 105 CB TYR A 8 -4.025 7.216 0.798 1.00 0.00 C ATOM 106 CG TYR A 8 -2.997 8.003 1.578 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.514 9.211 1.095 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.515 7.541 2.797 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.579 9.938 1.803 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.578 8.263 3.511 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.113 9.460 3.008 1.00 0.00 C ATOM 112 OH TYR A 8 -0.181 10.185 3.715 1.00 0.00 O ATOM 0 H TYR A 8 -5.422 5.953 -0.792 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.756 6.919 -0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.726 7.910 0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.598 6.598 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.876 9.588 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.878 6.604 3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.214 10.877 1.414 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.212 7.892 4.457 1.00 0.00 H new ATOM 0 HH TYR A 8 0.043 9.711 4.543 1.00 0.00 H new ATOM 122 N CYS A 9 -3.315 4.128 0.723 1.00 0.00 N ATOM 123 CA CYS A 9 -2.688 2.945 1.310 1.00 0.00 C ATOM 124 C CYS A 9 -1.655 2.354 0.356 1.00 0.00 C ATOM 125 O CYS A 9 -0.504 2.127 0.730 1.00 0.00 O ATOM 126 CB CYS A 9 -3.760 1.896 1.645 1.00 0.00 C ATOM 127 SG CYS A 9 -3.130 0.368 2.402 1.00 0.00 S ATOM 0 H CYS A 9 -4.328 4.059 0.630 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.179 3.241 2.227 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.488 2.345 2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.292 1.637 0.730 1.00 0.00 H new ATOM 132 N TYR A 10 -2.066 2.141 -0.887 1.00 0.00 N ATOM 133 CA TYR A 10 -1.212 1.497 -1.878 1.00 0.00 C ATOM 134 C TYR A 10 -0.169 2.450 -2.453 1.00 0.00 C ATOM 135 O TYR A 10 0.882 2.013 -2.915 1.00 0.00 O ATOM 136 CB TYR A 10 -2.054 0.927 -3.021 1.00 0.00 C ATOM 137 CG TYR A 10 -2.875 -0.276 -2.640 1.00 0.00 C ATOM 138 CD1 TYR A 10 -2.270 -1.510 -2.477 1.00 0.00 C ATOM 139 CD2 TYR A 10 -4.251 -0.191 -2.462 1.00 0.00 C ATOM 140 CE1 TYR A 10 -3.005 -2.625 -2.152 1.00 0.00 C ATOM 141 CE2 TYR A 10 -4.994 -1.304 -2.132 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.366 -2.521 -1.978 1.00 0.00 C ATOM 143 OH TYR A 10 -5.103 -3.639 -1.657 1.00 0.00 O ATOM 0 H TYR A 10 -2.988 2.405 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.688 0.692 -1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.721 1.706 -3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.393 0.656 -3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.202 -1.598 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.745 0.761 -2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.516 -3.580 -2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.062 -1.223 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.884 -3.375 -1.126 1.00 0.00 H new ATOM 153 N GLU A 11 -0.453 3.743 -2.457 1.00 0.00 N ATOM 154 CA GLU A 11 0.483 4.695 -3.029 1.00 0.00 C ATOM 155 C GLU A 11 1.688 4.898 -2.104 1.00 0.00 C ATOM 156 O GLU A 11 2.828 4.835 -2.549 1.00 0.00 O ATOM 157 CB GLU A 11 -0.213 6.031 -3.345 1.00 0.00 C ATOM 158 CG GLU A 11 -0.510 6.885 -2.135 1.00 0.00 C ATOM 159 CD GLU A 11 -1.167 8.198 -2.497 1.00 0.00 C ATOM 160 OE1 GLU A 11 -0.448 9.218 -2.584 1.00 0.00 O ATOM 161 OE2 GLU A 11 -2.397 8.221 -2.705 1.00 0.00 O ATOM 0 H GLU A 11 -1.308 4.151 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 11 0.852 4.285 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.415 6.600 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.148 5.825 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.160 6.333 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.418 7.083 -1.598 1.00 0.00 H new ATOM 168 N GLN A 12 1.438 5.092 -0.812 1.00 0.00 N ATOM 169 CA GLN A 12 2.504 5.432 0.120 1.00 0.00 C ATOM 170 C GLN A 12 3.311 4.216 0.551 1.00 0.00 C ATOM 171 O GLN A 12 4.471 4.357 0.926 1.00 0.00 O ATOM 172 CB GLN A 12 1.932 6.135 1.356 1.00 0.00 C ATOM 173 CG GLN A 12 1.311 7.483 1.050 1.00 0.00 C ATOM 174 CD GLN A 12 2.318 8.619 0.990 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.560 8.311 0.654 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 1.977 9.771 1.253 1.00 0.00 N flip ATOM 0 H GLN A 12 0.512 5.020 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 12 3.179 6.106 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.180 5.493 1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.727 6.268 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.786 7.423 0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.565 7.711 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.010 9.971 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.661 10.526 1.216 1.00 0.00 H new ATOM 185 N CYS A 13 2.718 3.030 0.484 1.00 0.00 N ATOM 186 CA CYS A 13 3.377 1.828 0.990 1.00 0.00 C ATOM 187 C CYS A 13 4.721 1.598 0.289 1.00 0.00 C ATOM 188 O CYS A 13 5.754 1.480 0.949 1.00 0.00 O ATOM 189 CB CYS A 13 2.457 0.599 0.847 1.00 0.00 C ATOM 190 SG CYS A 13 2.020 0.165 -0.866 1.00 0.00 S ATOM 0 H CYS A 13 1.791 2.873 0.089 1.00 0.00 H new ATOM 0 HA CYS A 13 3.579 1.975 2.051 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.945 -0.258 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.539 0.783 1.405 1.00 0.00 H new ATOM 195 N ASN A 14 4.718 1.565 -1.037 1.00 0.00 N ATOM 196 CA ASN A 14 5.960 1.376 -1.787 1.00 0.00 C ATOM 197 C ASN A 14 6.824 2.635 -1.772 1.00 0.00 C ATOM 198 O ASN A 14 8.046 2.549 -1.858 1.00 0.00 O ATOM 199 CB ASN A 14 5.684 0.940 -3.234 1.00 0.00 C ATOM 200 CG ASN A 14 4.821 1.929 -4.011 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.603 1.780 -4.063 1.00 0.00 O ATOM 202 ND2 ASN A 14 5.430 2.943 -4.617 1.00 0.00 N ATOM 0 H ASN A 14 3.882 1.665 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 14 6.511 0.579 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.633 0.811 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.191 -0.032 -3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.884 3.625 -5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.444 3.040 -4.555 1.00 0.00 H new ATOM 209 N VAL A 15 6.194 3.799 -1.664 1.00 0.00 N ATOM 210 CA VAL A 15 6.934 5.055 -1.613 1.00 0.00 C ATOM 211 C VAL A 15 7.758 5.135 -0.332 1.00 0.00 C ATOM 212 O VAL A 15 8.906 5.579 -0.349 1.00 0.00 O ATOM 213 CB VAL A 15 6.003 6.287 -1.714 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.780 7.578 -1.484 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.315 6.334 -3.071 1.00 0.00 C ATOM 0 H VAL A 15 5.180 3.900 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 15 7.598 5.070 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 15 5.244 6.193 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.103 8.429 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.230 7.560 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.564 7.670 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.666 7.208 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.067 6.396 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.719 5.431 -3.208 1.00 0.00 H new ATOM 225 N ASN A 16 7.179 4.689 0.777 1.00 0.00 N ATOM 226 CA ASN A 16 7.898 4.671 2.044 1.00 0.00 C ATOM 227 C ASN A 16 8.987 3.609 2.001 1.00 0.00 C ATOM 228 O ASN A 16 10.167 3.940 1.886 1.00 0.00 O ATOM 229 CB ASN A 16 6.943 4.422 3.219 1.00 0.00 C ATOM 230 CG ASN A 16 5.944 5.559 3.402 1.00 0.00 C ATOM 231 OD1 ASN A 16 6.213 6.694 3.015 1.00 0.00 O ATOM 232 ND2 ASN A 16 4.798 5.279 4.014 1.00 0.00 N ATOM 0 H ASN A 16 6.222 4.338 0.824 1.00 0.00 H new ATOM 0 HA ASN A 16 8.359 5.647 2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.403 3.490 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.521 4.298 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.112 6.017 4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.604 4.326 4.323 1.00 0.00 H new ATOM 239 N LYS A 17 8.584 2.337 2.067 1.00 0.00 N ATOM 240 CA LYS A 17 9.486 1.218 1.805 1.00 0.00 C ATOM 241 C LYS A 17 8.778 -0.120 2.032 1.00 0.00 C ATOM 242 O LYS A 17 8.903 -0.711 3.110 1.00 0.00 O ATOM 243 CB LYS A 17 10.726 1.273 2.705 1.00 0.00 C ATOM 244 CG LYS A 17 11.738 0.174 2.406 1.00 0.00 C ATOM 245 CD LYS A 17 12.902 0.217 3.387 1.00 0.00 C ATOM 246 CE LYS A 17 13.810 -0.993 3.223 1.00 0.00 C ATOM 247 NZ LYS A 17 13.083 -2.273 3.453 1.00 0.00 N ATOM 0 H LYS A 17 7.631 2.058 2.302 1.00 0.00 H new ATOM 0 HA LYS A 17 9.795 1.300 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.209 2.243 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.414 1.196 3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.249 -0.799 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.112 0.287 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.477 1.130 3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.519 0.251 4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.236 -0.993 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.643 -0.919 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.768 -3.030 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.440 -2.166 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.533 -2.517 2.605 1.00 0.00 H new ATOM 261 N VAL A 18 8.057 -0.620 1.032 1.00 0.00 N ATOM 262 CA VAL A 18 7.520 -1.977 1.090 1.00 0.00 C ATOM 263 C VAL A 18 7.414 -2.525 -0.333 1.00 0.00 C ATOM 264 O VAL A 18 7.135 -1.773 -1.272 1.00 0.00 O ATOM 265 CB VAL A 18 6.117 -2.089 1.797 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.904 -1.011 2.854 1.00 0.00 C ATOM 267 CG2 VAL A 18 4.979 -2.097 0.788 1.00 0.00 C ATOM 0 H VAL A 18 7.832 -0.110 0.177 1.00 0.00 H new ATOM 0 HA VAL A 18 8.211 -2.560 1.699 1.00 0.00 H new ATOM 0 HB VAL A 18 6.113 -3.047 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.921 -1.136 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.673 -1.097 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.966 -0.027 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.027 -2.175 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.999 -1.173 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.094 -2.948 0.117 1.00 0.00 H new ATOM 277 N PRO A 19 7.688 -3.823 -0.524 1.00 0.00 N ATOM 278 CA PRO A 19 7.456 -4.495 -1.803 1.00 0.00 C ATOM 279 C PRO A 19 5.962 -4.560 -2.123 1.00 0.00 C ATOM 280 O PRO A 19 5.148 -4.646 -1.201 1.00 0.00 O ATOM 281 CB PRO A 19 8.013 -5.910 -1.592 1.00 0.00 C ATOM 282 CG PRO A 19 8.845 -5.836 -0.355 1.00 0.00 C ATOM 283 CD PRO A 19 8.264 -4.726 0.477 1.00 0.00 C ATOM 0 HA PRO A 19 7.928 -3.972 -2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.207 -6.635 -1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.610 -6.227 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.822 -6.782 0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.888 -5.634 -0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.507 -5.095 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.028 -4.229 1.075 1.00 0.00 H new ATOM 291 N PHE A 20 5.589 -4.518 -3.401 1.00 0.00 N ATOM 292 CA PHE A 20 4.169 -4.478 -3.765 1.00 0.00 C ATOM 293 C PHE A 20 3.408 -5.655 -3.158 1.00 0.00 C ATOM 294 O PHE A 20 2.303 -5.483 -2.641 1.00 0.00 O ATOM 295 CB PHE A 20 3.968 -4.461 -5.283 1.00 0.00 C ATOM 296 CG PHE A 20 2.535 -4.224 -5.670 1.00 0.00 C ATOM 297 CD1 PHE A 20 2.042 -2.934 -5.780 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.677 -5.288 -5.907 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.722 -2.708 -6.121 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.357 -5.067 -6.250 1.00 0.00 C ATOM 301 CZ PHE A 20 -0.121 -3.775 -6.355 1.00 0.00 C ATOM 0 H PHE A 20 6.235 -4.511 -4.191 1.00 0.00 H new ATOM 0 HA PHE A 20 3.769 -3.550 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.593 -3.682 -5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.302 -5.410 -5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.697 -2.095 -5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.045 -6.300 -5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.351 -1.697 -6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.301 -5.903 -6.436 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.153 -3.600 -6.620 1.00 0.00 H new ATOM 311 N ASP A 21 4.014 -6.838 -3.201 1.00 0.00 N ATOM 312 CA ASP A 21 3.405 -8.034 -2.628 1.00 0.00 C ATOM 313 C ASP A 21 3.074 -7.826 -1.155 1.00 0.00 C ATOM 314 O ASP A 21 1.985 -8.176 -0.705 1.00 0.00 O ATOM 315 CB ASP A 21 4.328 -9.245 -2.793 1.00 0.00 C ATOM 316 CG ASP A 21 5.752 -8.965 -2.360 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.099 -9.261 -1.196 1.00 0.00 O ATOM 318 OD2 ASP A 21 6.534 -8.449 -3.185 1.00 0.00 O ATOM 0 H ASP A 21 4.927 -6.994 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 21 2.477 -8.225 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.934 -10.078 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.326 -9.557 -3.837 1.00 0.00 H new ATOM 323 N GLN A 22 4.004 -7.233 -0.415 1.00 0.00 N ATOM 324 CA GLN A 22 3.785 -6.933 0.991 1.00 0.00 C ATOM 325 C GLN A 22 2.659 -5.915 1.144 1.00 0.00 C ATOM 326 O GLN A 22 1.837 -6.012 2.060 1.00 0.00 O ATOM 327 CB GLN A 22 5.069 -6.404 1.636 1.00 0.00 C ATOM 328 CG GLN A 22 4.931 -6.145 3.124 1.00 0.00 C ATOM 329 CD GLN A 22 6.206 -5.615 3.746 1.00 0.00 C ATOM 330 OE1 GLN A 22 6.426 -4.408 3.811 1.00 0.00 O ATOM 331 NE2 GLN A 22 7.055 -6.515 4.208 1.00 0.00 N ATOM 0 H GLN A 22 4.918 -6.951 -0.768 1.00 0.00 H new ATOM 0 HA GLN A 22 3.498 -7.854 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.872 -7.123 1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.363 -5.479 1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.126 -5.430 3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.645 -7.070 3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.835 -7.508 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.931 -6.217 4.638 1.00 0.00 H new ATOM 340 N CYS A 23 2.612 -4.952 0.229 1.00 0.00 N ATOM 341 CA CYS A 23 1.559 -3.940 0.243 1.00 0.00 C ATOM 342 C CYS A 23 0.207 -4.606 0.025 1.00 0.00 C ATOM 343 O CYS A 23 -0.753 -4.334 0.746 1.00 0.00 O ATOM 344 CB CYS A 23 1.797 -2.855 -0.825 1.00 0.00 C ATOM 345 SG CYS A 23 0.732 -1.389 -0.649 1.00 0.00 S ATOM 0 H CYS A 23 3.287 -4.850 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 23 1.573 -3.450 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.840 -2.540 -0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.637 -3.290 -1.811 1.00 0.00 H new ATOM 350 N TYR A 24 0.146 -5.510 -0.949 1.00 0.00 N ATOM 351 CA TYR A 24 -1.075 -6.246 -1.222 1.00 0.00 C ATOM 352 C TYR A 24 -1.441 -7.143 -0.050 1.00 0.00 C ATOM 353 O TYR A 24 -2.598 -7.228 0.326 1.00 0.00 O ATOM 354 CB TYR A 24 -0.952 -7.078 -2.506 1.00 0.00 C ATOM 355 CG TYR A 24 -2.240 -7.767 -2.891 1.00 0.00 C ATOM 356 CD1 TYR A 24 -3.252 -7.073 -3.539 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.446 -9.107 -2.599 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.433 -7.695 -3.885 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.624 -9.738 -2.942 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.615 -9.028 -3.585 1.00 0.00 C ATOM 361 OH TYR A 24 -5.793 -9.652 -3.930 1.00 0.00 O ATOM 0 H TYR A 24 0.929 -5.747 -1.559 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.871 -5.515 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.635 -6.430 -3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.172 -7.827 -2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.112 -6.029 -3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.671 -9.666 -2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.211 -7.141 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.769 -10.782 -2.708 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.761 -10.590 -3.649 1.00 0.00 H new ATOM 371 N GLN A 25 -0.455 -7.779 0.559 1.00 0.00 N ATOM 372 CA GLN A 25 -0.734 -8.730 1.633 1.00 0.00 C ATOM 373 C GLN A 25 -1.319 -8.020 2.847 1.00 0.00 C ATOM 374 O GLN A 25 -2.138 -8.583 3.575 1.00 0.00 O ATOM 375 CB GLN A 25 0.521 -9.511 2.039 1.00 0.00 C ATOM 376 CG GLN A 25 0.928 -10.603 1.043 1.00 0.00 C ATOM 377 CD GLN A 25 -0.211 -11.554 0.736 1.00 0.00 C ATOM 378 OE1 GLN A 25 -0.943 -11.279 -0.333 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -0.418 -12.543 1.438 1.00 0.00 N flip ATOM 0 H GLN A 25 0.533 -7.660 0.336 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.466 -9.441 1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.349 -8.812 2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.352 -9.968 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.270 -10.139 0.118 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.769 -11.166 1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.168 -12.721 2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.175 -13.185 1.204 1.00 0.00 H new ATOM 388 N MET A 26 -0.907 -6.782 3.056 1.00 0.00 N ATOM 389 CA MET A 26 -1.371 -6.014 4.198 1.00 0.00 C ATOM 390 C MET A 26 -2.641 -5.216 3.881 1.00 0.00 C ATOM 391 O MET A 26 -3.560 -5.161 4.697 1.00 0.00 O ATOM 392 CB MET A 26 -0.254 -5.080 4.672 1.00 0.00 C ATOM 393 CG MET A 26 -0.673 -4.075 5.740 1.00 0.00 C ATOM 394 SD MET A 26 0.692 -3.002 6.240 1.00 0.00 S ATOM 395 CE MET A 26 1.200 -2.311 4.663 1.00 0.00 C ATOM 0 H MET A 26 -0.252 -6.287 2.450 1.00 0.00 H new ATOM 0 HA MET A 26 -1.628 -6.714 4.993 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.565 -5.684 5.063 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.134 -4.535 3.812 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.493 -3.465 5.361 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.051 -4.610 6.612 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.592 -1.305 4.816 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.974 -2.939 4.223 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.343 -2.268 3.991 1.00 0.00 H new ATOM 405 N CYS A 27 -2.703 -4.612 2.699 1.00 0.00 N ATOM 406 CA CYS A 27 -3.812 -3.705 2.381 1.00 0.00 C ATOM 407 C CYS A 27 -4.977 -4.422 1.680 1.00 0.00 C ATOM 408 O CYS A 27 -6.047 -3.835 1.510 1.00 0.00 O ATOM 409 CB CYS A 27 -3.333 -2.528 1.512 1.00 0.00 C ATOM 410 SG CYS A 27 -4.379 -1.045 1.649 1.00 0.00 S ATOM 0 H CYS A 27 -2.015 -4.727 1.955 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.179 -3.325 3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.313 -2.270 1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.303 -2.846 0.470 1.00 0.00 H new ATOM 415 N SER A 28 -4.791 -5.680 1.278 1.00 0.00 N ATOM 416 CA SER A 28 -5.867 -6.419 0.608 1.00 0.00 C ATOM 417 C SER A 28 -7.140 -6.533 1.469 1.00 0.00 C ATOM 418 O SER A 28 -8.229 -6.333 0.944 1.00 0.00 O ATOM 419 CB SER A 28 -5.402 -7.801 0.117 1.00 0.00 C ATOM 420 OG SER A 28 -4.726 -8.523 1.130 1.00 0.00 O ATOM 0 H SER A 28 -3.924 -6.202 1.400 1.00 0.00 H new ATOM 0 HA SER A 28 -6.131 -5.829 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.265 -8.374 -0.223 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.743 -7.678 -0.742 1.00 0.00 H new ATOM 0 HG SER A 28 -3.764 -8.345 1.072 1.00 0.00 H new ATOM 426 N PRO A 29 -7.054 -6.839 2.790 1.00 0.00 N ATOM 427 CA PRO A 29 -8.245 -6.870 3.662 1.00 0.00 C ATOM 428 C PRO A 29 -8.984 -5.525 3.728 1.00 0.00 C ATOM 429 O PRO A 29 -10.097 -5.446 4.245 1.00 0.00 O ATOM 430 CB PRO A 29 -7.677 -7.234 5.037 1.00 0.00 C ATOM 431 CG PRO A 29 -6.403 -7.947 4.737 1.00 0.00 C ATOM 432 CD PRO A 29 -5.841 -7.248 3.528 1.00 0.00 C ATOM 0 HA PRO A 29 -8.989 -7.574 3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.501 -6.345 5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.365 -7.869 5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.713 -7.894 5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.580 -9.003 4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.228 -6.390 3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.211 -7.911 2.935 1.00 0.00 H new ATOM 440 N LEU A 30 -8.360 -4.476 3.206 1.00 0.00 N ATOM 441 CA LEU A 30 -8.967 -3.151 3.170 1.00 0.00 C ATOM 442 C LEU A 30 -9.767 -2.998 1.877 1.00 0.00 C ATOM 443 O LEU A 30 -10.991 -2.881 1.897 1.00 0.00 O ATOM 444 CB LEU A 30 -7.868 -2.068 3.251 1.00 0.00 C ATOM 445 CG LEU A 30 -8.309 -0.643 3.661 1.00 0.00 C ATOM 446 CD1 LEU A 30 -7.121 0.307 3.592 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.436 -0.113 2.780 1.00 0.00 C ATOM 0 H LEU A 30 -7.426 -4.519 2.799 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.636 -3.032 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.113 -2.405 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.384 -2.005 2.277 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.685 -0.701 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.439 1.309 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.340 -0.037 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.732 0.330 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.712 0.890 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.102 -0.079 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.301 -0.771 2.861 1.00 0.00 H new ATOM 459 N GLU A 31 -9.057 -3.014 0.756 1.00 0.00 N ATOM 460 CA GLU A 31 -9.668 -2.772 -0.552 1.00 0.00 C ATOM 461 C GLU A 31 -10.501 -3.981 -0.989 1.00 0.00 C ATOM 462 O GLU A 31 -11.527 -3.838 -1.650 1.00 0.00 O ATOM 463 CB GLU A 31 -8.571 -2.443 -1.587 1.00 0.00 C ATOM 464 CG GLU A 31 -9.061 -1.762 -2.872 1.00 0.00 C ATOM 465 CD GLU A 31 -9.589 -2.732 -3.910 1.00 0.00 C ATOM 466 OE1 GLU A 31 -8.769 -3.422 -4.549 1.00 0.00 O ATOM 467 OE2 GLU A 31 -10.818 -2.788 -4.112 1.00 0.00 O ATOM 0 H GLU A 31 -8.053 -3.192 0.723 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.341 -1.918 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.831 -1.798 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.062 -3.368 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.847 -1.050 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.241 -1.190 -3.306 1.00 0.00 H new ATOM 474 N ARG A 32 -10.077 -5.166 -0.579 1.00 0.00 N ATOM 475 CA ARG A 32 -10.741 -6.402 -0.980 1.00 0.00 C ATOM 476 C ARG A 32 -11.211 -7.161 0.255 1.00 0.00 C ATOM 477 O ARG A 32 -10.841 -8.317 0.460 1.00 0.00 O ATOM 478 CB ARG A 32 -9.789 -7.304 -1.799 1.00 0.00 C ATOM 479 CG ARG A 32 -9.114 -6.628 -3.008 1.00 0.00 C ATOM 480 CD ARG A 32 -10.088 -6.300 -4.133 1.00 0.00 C ATOM 481 NE ARG A 32 -10.951 -7.430 -4.472 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.613 -7.542 -5.620 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.507 -6.599 -6.546 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.381 -8.602 -5.837 1.00 0.00 N ATOM 0 H ARG A 32 -9.273 -5.301 0.034 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.596 -6.139 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.012 -7.681 -1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.351 -8.168 -2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.628 -5.710 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.332 -7.283 -3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.705 -5.451 -3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.528 -5.996 -5.017 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.052 -8.178 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.916 -5.784 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.016 -6.688 -7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.462 -9.327 -5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.890 -8.691 -6.716 1.00 0.00 H new ATOM 498 N SER A 33 -12.009 -6.499 1.084 1.00 0.00 N ATOM 499 CA SER A 33 -12.532 -7.125 2.299 1.00 0.00 C ATOM 500 C SER A 33 -13.465 -8.277 1.937 1.00 0.00 C ATOM 501 CB SER A 33 -13.283 -6.102 3.163 1.00 0.00 C ATOM 502 OG SER A 33 -12.538 -4.903 3.299 1.00 0.00 O ATOM 0 H SER A 33 -12.309 -5.534 0.941 1.00 0.00 H new ATOM 0 HA SER A 33 -11.688 -7.510 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.251 -5.883 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.478 -6.526 4.148 1.00 0.00 H new ATOM 0 HG SER A 33 -11.727 -5.079 3.820 1.00 0.00 H new TER 508 SER A 33