USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=10 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 -138:sc= 1.58 USER MOD Set 1.2: A 28 SER OG : rot -27:sc= 1.15 USER MOD Set 2.1: A 8 TYR OH : rot -64:sc= 0.0923 USER MOD Set 2.2: A 12 GLN : amide:sc= -1.77 K(o=-1.7,f=0.27) USER MOD Single : A 1 ALA N :NH3+ 134:sc= 0.00686 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.967 K(o=-0.97,f=-0.15) USER MOD Single : A 5 GLN : amide:sc= -2.25 K(o=-2.3,f=-1.6) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -0.0273 (180deg=-0.231) USER MOD Single : A 14 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.37) USER MOD Single : A 16 ASN : amide:sc= -0.0912 K(o=-0.091,f=-1) USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0446) USER MOD Single : A 22 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.73) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.87) USER MOD Single : A 26 MET CE :methyl 145:sc= -0.725 (180deg=-1.78) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.616 3.459 2.829 1.00 0.00 N ATOM 2 CA ALA A 1 -16.783 3.529 1.607 1.00 0.00 C ATOM 3 C ALA A 1 -15.741 4.631 1.730 1.00 0.00 C ATOM 4 O ALA A 1 -16.036 5.724 2.219 1.00 0.00 O ATOM 5 CB ALA A 1 -17.647 3.773 0.383 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.619 3.388 2.562 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.346 2.623 3.386 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.469 4.317 3.399 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.273 2.573 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.016 3.821 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.363 2.958 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.183 4.715 0.498 1.00 0.00 H new ATOM 10 N SER A 2 -14.529 4.345 1.278 1.00 0.00 N ATOM 11 CA SER A 2 -13.443 5.319 1.316 1.00 0.00 C ATOM 12 C SER A 2 -12.340 4.896 0.336 1.00 0.00 C ATOM 13 O SER A 2 -11.258 4.490 0.751 1.00 0.00 O ATOM 14 CB SER A 2 -12.872 5.427 2.745 1.00 0.00 C ATOM 15 OG SER A 2 -12.103 6.609 2.910 1.00 0.00 O ATOM 0 H SER A 2 -14.270 3.443 0.879 1.00 0.00 H new ATOM 0 HA SER A 2 -13.828 6.296 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.689 5.420 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.252 4.556 2.957 1.00 0.00 H new ATOM 0 HG SER A 2 -11.757 6.649 3.826 1.00 0.00 H new ATOM 21 N PRO A 3 -12.607 4.963 -0.987 1.00 0.00 N ATOM 22 CA PRO A 3 -11.638 4.530 -2.008 1.00 0.00 C ATOM 23 C PRO A 3 -10.283 5.237 -1.904 1.00 0.00 C ATOM 24 O PRO A 3 -9.257 4.693 -2.319 1.00 0.00 O ATOM 25 CB PRO A 3 -12.316 4.882 -3.336 1.00 0.00 C ATOM 26 CG PRO A 3 -13.772 4.935 -3.021 1.00 0.00 C ATOM 27 CD PRO A 3 -13.872 5.429 -1.592 1.00 0.00 C ATOM 0 HA PRO A 3 -11.406 3.471 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.960 5.838 -3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.104 4.133 -4.099 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.295 5.605 -3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.230 3.952 -3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.965 6.514 -1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.740 5.013 -1.081 1.00 0.00 H new ATOM 35 N GLN A 4 -10.277 6.437 -1.334 1.00 0.00 N ATOM 36 CA GLN A 4 -9.049 7.216 -1.225 1.00 0.00 C ATOM 37 C GLN A 4 -8.082 6.595 -0.228 1.00 0.00 C ATOM 38 O GLN A 4 -6.871 6.621 -0.438 1.00 0.00 O ATOM 39 CB GLN A 4 -9.335 8.668 -0.834 1.00 0.00 C ATOM 40 CG GLN A 4 -9.989 9.484 -1.947 1.00 0.00 C ATOM 41 CD GLN A 4 -9.114 9.611 -3.185 1.00 0.00 C ATOM 42 OE1 GLN A 4 -9.620 9.691 -4.305 1.00 0.00 O ATOM 43 NE2 GLN A 4 -7.802 9.648 -2.995 1.00 0.00 N ATOM 0 H GLN A 4 -11.103 6.889 -0.942 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.585 7.209 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.984 8.678 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.400 9.148 -0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.935 9.018 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.223 10.480 -1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.421 9.579 -2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.174 9.746 -3.793 1.00 0.00 H new ATOM 52 N GLN A 5 -8.612 6.030 0.850 1.00 0.00 N ATOM 53 CA GLN A 5 -7.763 5.407 1.865 1.00 0.00 C ATOM 54 C GLN A 5 -7.047 4.192 1.283 1.00 0.00 C ATOM 55 O GLN A 5 -5.905 3.898 1.638 1.00 0.00 O ATOM 56 CB GLN A 5 -8.560 5.006 3.119 1.00 0.00 C ATOM 57 CG GLN A 5 -9.386 3.732 2.966 1.00 0.00 C ATOM 58 CD GLN A 5 -10.072 3.308 4.253 1.00 0.00 C ATOM 59 OE1 GLN A 5 -11.153 2.718 4.225 1.00 0.00 O ATOM 60 NE2 GLN A 5 -9.445 3.588 5.388 1.00 0.00 N ATOM 0 H GLN A 5 -9.612 5.989 1.045 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.024 6.148 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.865 4.875 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.227 5.826 3.387 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.139 3.885 2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.738 2.925 2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.551 4.078 5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.857 3.313 6.280 1.00 0.00 H new ATOM 69 N ALA A 6 -7.725 3.500 0.382 1.00 0.00 N ATOM 70 CA ALA A 6 -7.138 2.355 -0.298 1.00 0.00 C ATOM 71 C ALA A 6 -6.048 2.809 -1.254 1.00 0.00 C ATOM 72 O ALA A 6 -4.953 2.245 -1.276 1.00 0.00 O ATOM 73 CB ALA A 6 -8.202 1.563 -1.046 1.00 0.00 C ATOM 0 H ALA A 6 -8.683 3.711 0.104 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.695 1.703 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.738 0.713 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.952 1.205 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.679 2.204 -1.788 1.00 0.00 H new ATOM 79 N LYS A 7 -6.345 3.854 -2.016 1.00 0.00 N ATOM 80 CA LYS A 7 -5.397 4.386 -2.984 1.00 0.00 C ATOM 81 C LYS A 7 -4.175 4.951 -2.265 1.00 0.00 C ATOM 82 O LYS A 7 -3.049 4.830 -2.744 1.00 0.00 O ATOM 83 CB LYS A 7 -6.061 5.466 -3.847 1.00 0.00 C ATOM 84 CG LYS A 7 -5.223 5.900 -5.038 1.00 0.00 C ATOM 85 CD LYS A 7 -5.063 4.762 -6.051 1.00 0.00 C ATOM 86 CE LYS A 7 -4.189 5.176 -7.234 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.813 5.531 -6.802 1.00 0.00 N ATOM 0 H LYS A 7 -7.236 4.350 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.073 3.577 -3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.020 5.092 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.271 6.337 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.691 6.757 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.241 6.225 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.622 3.896 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.045 4.457 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.145 4.361 -7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.642 6.028 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.189 5.575 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.826 6.457 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.459 4.810 -6.142 1.00 0.00 H new ATOM 101 N TYR A 8 -4.412 5.555 -1.105 1.00 0.00 N ATOM 102 CA TYR A 8 -3.340 6.081 -0.266 1.00 0.00 C ATOM 103 C TYR A 8 -2.436 4.949 0.207 1.00 0.00 C ATOM 104 O TYR A 8 -1.215 5.083 0.223 1.00 0.00 O ATOM 105 CB TYR A 8 -3.935 6.816 0.941 1.00 0.00 C ATOM 106 CG TYR A 8 -2.916 7.504 1.822 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.433 8.764 1.500 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.447 6.897 2.982 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.512 9.402 2.306 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.524 7.528 3.794 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.059 8.781 3.452 1.00 0.00 C ATOM 112 OH TYR A 8 -0.139 9.417 4.256 1.00 0.00 O ATOM 0 H TYR A 8 -5.347 5.693 -0.721 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.746 6.781 -0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.647 7.559 0.583 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.496 6.102 1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.784 9.254 0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.810 5.917 3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.147 10.383 2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.169 7.043 4.691 1.00 0.00 H new ATOM 0 HH TYR A 8 0.699 9.536 3.763 1.00 0.00 H new ATOM 122 N CYS A 9 -3.050 3.831 0.577 1.00 0.00 N ATOM 123 CA CYS A 9 -2.307 2.678 1.075 1.00 0.00 C ATOM 124 C CYS A 9 -1.394 2.117 -0.012 1.00 0.00 C ATOM 125 O CYS A 9 -0.202 1.915 0.215 1.00 0.00 O ATOM 126 CB CYS A 9 -3.270 1.593 1.584 1.00 0.00 C ATOM 127 SG CYS A 9 -2.450 0.200 2.430 1.00 0.00 S ATOM 0 H CYS A 9 -4.061 3.698 0.542 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.686 3.005 1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.984 2.050 2.269 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.841 1.205 0.740 1.00 0.00 H new ATOM 132 N TYR A 10 -1.949 1.895 -1.201 1.00 0.00 N ATOM 133 CA TYR A 10 -1.177 1.353 -2.317 1.00 0.00 C ATOM 134 C TYR A 10 -0.133 2.353 -2.809 1.00 0.00 C ATOM 135 O TYR A 10 0.896 1.966 -3.355 1.00 0.00 O ATOM 136 CB TYR A 10 -2.089 0.968 -3.486 1.00 0.00 C ATOM 137 CG TYR A 10 -2.896 -0.290 -3.273 1.00 0.00 C ATOM 138 CD1 TYR A 10 -2.330 -1.541 -3.479 1.00 0.00 C ATOM 139 CD2 TYR A 10 -4.231 -0.228 -2.896 1.00 0.00 C ATOM 140 CE1 TYR A 10 -3.071 -2.695 -3.317 1.00 0.00 C ATOM 141 CE2 TYR A 10 -4.976 -1.373 -2.727 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.395 -2.605 -2.940 1.00 0.00 C ATOM 143 OH TYR A 10 -5.147 -3.745 -2.779 1.00 0.00 O ATOM 0 H TYR A 10 -2.928 2.081 -1.417 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.671 0.462 -1.947 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.774 1.793 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.477 0.843 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.293 -1.613 -3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.692 0.735 -2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.617 -3.661 -3.484 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.012 -1.307 -2.429 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.036 -3.608 -3.169 1.00 0.00 H new ATOM 153 N GLU A 11 -0.409 3.636 -2.640 1.00 0.00 N ATOM 154 CA GLU A 11 0.535 4.665 -3.044 1.00 0.00 C ATOM 155 C GLU A 11 1.697 4.741 -2.057 1.00 0.00 C ATOM 156 O GLU A 11 2.856 4.580 -2.433 1.00 0.00 O ATOM 157 CB GLU A 11 -0.157 6.032 -3.147 1.00 0.00 C ATOM 158 CG GLU A 11 0.001 6.704 -4.509 1.00 0.00 C ATOM 159 CD GLU A 11 1.451 6.916 -4.894 1.00 0.00 C ATOM 160 OE1 GLU A 11 2.006 7.984 -4.567 1.00 0.00 O ATOM 161 OE2 GLU A 11 2.033 6.027 -5.546 1.00 0.00 O ATOM 0 H GLU A 11 -1.273 3.988 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 11 0.923 4.399 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.219 5.908 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.246 6.691 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.487 6.093 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.511 7.666 -4.496 1.00 0.00 H new ATOM 168 N GLN A 12 1.377 4.953 -0.788 1.00 0.00 N ATOM 169 CA GLN A 12 2.389 5.193 0.225 1.00 0.00 C ATOM 170 C GLN A 12 3.171 3.936 0.581 1.00 0.00 C ATOM 171 O GLN A 12 4.265 4.034 1.125 1.00 0.00 O ATOM 172 CB GLN A 12 1.743 5.780 1.478 1.00 0.00 C ATOM 173 CG GLN A 12 1.236 7.192 1.267 1.00 0.00 C ATOM 174 CD GLN A 12 2.286 8.249 1.552 1.00 0.00 C ATOM 175 OE1 GLN A 12 1.960 9.371 1.931 1.00 0.00 O ATOM 176 NE2 GLN A 12 3.552 7.897 1.397 1.00 0.00 N ATOM 0 H GLN A 12 0.419 4.963 -0.437 1.00 0.00 H new ATOM 0 HA GLN A 12 3.101 5.905 -0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.914 5.143 1.787 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.468 5.776 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.892 7.298 0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.373 7.362 1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.785 6.956 1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.295 8.567 1.594 1.00 0.00 H new ATOM 185 N CYS A 13 2.629 2.767 0.266 1.00 0.00 N ATOM 186 CA CYS A 13 3.283 1.514 0.631 1.00 0.00 C ATOM 187 C CYS A 13 4.695 1.453 0.036 1.00 0.00 C ATOM 188 O CYS A 13 5.675 1.277 0.763 1.00 0.00 O ATOM 189 CB CYS A 13 2.438 0.301 0.183 1.00 0.00 C ATOM 190 SG CYS A 13 2.379 0.025 -1.616 1.00 0.00 S ATOM 0 H CYS A 13 1.748 2.658 -0.236 1.00 0.00 H new ATOM 0 HA CYS A 13 3.370 1.475 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.835 -0.595 0.660 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.420 0.432 0.549 1.00 0.00 H new ATOM 195 N ASN A 14 4.802 1.637 -1.273 1.00 0.00 N ATOM 196 CA ASN A 14 6.103 1.640 -1.941 1.00 0.00 C ATOM 197 C ASN A 14 6.860 2.941 -1.691 1.00 0.00 C ATOM 198 O ASN A 14 8.091 2.958 -1.688 1.00 0.00 O ATOM 199 CB ASN A 14 5.945 1.400 -3.448 1.00 0.00 C ATOM 200 CG ASN A 14 4.976 2.376 -4.114 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.792 2.076 -4.249 1.00 0.00 O ATOM 202 ND2 ASN A 14 5.452 3.551 -4.525 1.00 0.00 N ATOM 0 H ASN A 14 4.007 1.786 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 14 6.687 0.824 -1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.921 1.483 -3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.595 0.381 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.829 4.228 -4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.440 3.773 -4.400 1.00 0.00 H new ATOM 209 N VAL A 15 6.126 4.031 -1.489 1.00 0.00 N ATOM 210 CA VAL A 15 6.743 5.323 -1.214 1.00 0.00 C ATOM 211 C VAL A 15 7.505 5.280 0.107 1.00 0.00 C ATOM 212 O VAL A 15 8.614 5.805 0.209 1.00 0.00 O ATOM 213 CB VAL A 15 5.708 6.473 -1.177 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.355 7.776 -0.725 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.058 6.663 -2.544 1.00 0.00 C ATOM 0 H VAL A 15 5.106 4.045 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 15 7.435 5.523 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 15 4.937 6.199 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.606 8.567 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.771 7.648 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.152 8.046 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.334 7.477 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.824 6.904 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.550 5.744 -2.836 1.00 0.00 H new ATOM 225 N ASN A 16 6.916 4.639 1.111 1.00 0.00 N ATOM 226 CA ASN A 16 7.576 4.506 2.402 1.00 0.00 C ATOM 227 C ASN A 16 8.741 3.533 2.282 1.00 0.00 C ATOM 228 O ASN A 16 9.899 3.951 2.270 1.00 0.00 O ATOM 229 CB ASN A 16 6.589 4.019 3.476 1.00 0.00 C ATOM 230 CG ASN A 16 5.455 5.006 3.713 1.00 0.00 C ATOM 231 OD1 ASN A 16 5.612 6.205 3.492 1.00 0.00 O ATOM 232 ND2 ASN A 16 4.308 4.522 4.180 1.00 0.00 N ATOM 0 H ASN A 16 5.993 4.208 1.056 1.00 0.00 H new ATOM 0 HA ASN A 16 7.950 5.484 2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.173 3.058 3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.125 3.855 4.411 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.527 5.151 4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.209 3.522 4.353 1.00 0.00 H new ATOM 239 N LYS A 17 8.420 2.238 2.198 1.00 0.00 N ATOM 240 CA LYS A 17 9.373 1.201 1.807 1.00 0.00 C ATOM 241 C LYS A 17 8.745 -0.182 1.973 1.00 0.00 C ATOM 242 O LYS A 17 8.913 -0.803 3.024 1.00 0.00 O ATOM 243 CB LYS A 17 10.665 1.263 2.632 1.00 0.00 C ATOM 244 CG LYS A 17 11.691 0.215 2.218 1.00 0.00 C ATOM 245 CD LYS A 17 12.985 0.360 3.012 1.00 0.00 C ATOM 246 CE LYS A 17 13.912 -0.830 2.788 1.00 0.00 C ATOM 247 NZ LYS A 17 14.288 -0.986 1.358 1.00 0.00 N ATOM 0 H LYS A 17 7.486 1.881 2.401 1.00 0.00 H new ATOM 0 HA LYS A 17 9.626 1.379 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.106 2.254 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.422 1.128 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.278 -0.782 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.903 0.312 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.493 1.279 2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.754 0.449 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.814 -0.704 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.423 -1.740 3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.971 -1.764 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.439 -1.199 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.717 -0.104 1.014 1.00 0.00 H new ATOM 261 N VAL A 18 8.017 -0.677 0.976 1.00 0.00 N ATOM 262 CA VAL A 18 7.519 -2.050 1.036 1.00 0.00 C ATOM 263 C VAL A 18 7.462 -2.635 -0.377 1.00 0.00 C ATOM 264 O VAL A 18 7.254 -1.907 -1.352 1.00 0.00 O ATOM 265 CB VAL A 18 6.103 -2.176 1.697 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.922 -1.229 2.880 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.004 -1.980 0.670 1.00 0.00 C ATOM 0 H VAL A 18 7.762 -0.162 0.133 1.00 0.00 H new ATOM 0 HA VAL A 18 8.215 -2.603 1.666 1.00 0.00 H new ATOM 0 HB VAL A 18 6.030 -3.189 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.924 -1.358 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.668 -1.452 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.044 -0.199 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.032 -2.072 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.095 -0.989 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.094 -2.737 -0.109 1.00 0.00 H new ATOM 277 N PRO A 19 7.697 -3.949 -0.509 1.00 0.00 N ATOM 278 CA PRO A 19 7.475 -4.672 -1.766 1.00 0.00 C ATOM 279 C PRO A 19 5.995 -4.667 -2.155 1.00 0.00 C ATOM 280 O PRO A 19 5.131 -4.561 -1.283 1.00 0.00 O ATOM 281 CB PRO A 19 7.936 -6.103 -1.456 1.00 0.00 C ATOM 282 CG PRO A 19 8.771 -5.993 -0.225 1.00 0.00 C ATOM 283 CD PRO A 19 8.225 -4.824 0.545 1.00 0.00 C ATOM 0 HA PRO A 19 8.010 -4.219 -2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.084 -6.764 -1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.510 -6.519 -2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.718 -6.908 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.820 -5.838 -0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.446 -5.130 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.000 -4.329 1.129 1.00 0.00 H new ATOM 291 N PHE A 20 5.694 -4.786 -3.447 1.00 0.00 N ATOM 292 CA PHE A 20 4.304 -4.754 -3.911 1.00 0.00 C ATOM 293 C PHE A 20 3.474 -5.851 -3.249 1.00 0.00 C ATOM 294 O PHE A 20 2.316 -5.630 -2.893 1.00 0.00 O ATOM 295 CB PHE A 20 4.220 -4.893 -5.436 1.00 0.00 C ATOM 296 CG PHE A 20 2.827 -4.692 -5.967 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.963 -5.767 -6.115 1.00 0.00 C ATOM 298 CD2 PHE A 20 2.381 -3.427 -6.311 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.680 -5.581 -6.592 1.00 0.00 C ATOM 300 CE2 PHE A 20 1.100 -3.235 -6.789 1.00 0.00 C ATOM 301 CZ PHE A 20 0.248 -4.314 -6.931 1.00 0.00 C ATOM 0 H PHE A 20 6.386 -4.905 -4.187 1.00 0.00 H new ATOM 0 HA PHE A 20 3.896 -3.784 -3.626 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.888 -4.167 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.574 -5.882 -5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.297 -6.760 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.043 -2.580 -6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.016 -6.426 -6.700 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.764 -2.243 -7.052 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.754 -4.166 -7.306 1.00 0.00 H new ATOM 311 N ASP A 21 4.066 -7.028 -3.073 1.00 0.00 N ATOM 312 CA ASP A 21 3.377 -8.129 -2.404 1.00 0.00 C ATOM 313 C ASP A 21 3.006 -7.734 -0.976 1.00 0.00 C ATOM 314 O ASP A 21 1.960 -8.127 -0.464 1.00 0.00 O ATOM 315 CB ASP A 21 4.226 -9.407 -2.396 1.00 0.00 C ATOM 316 CG ASP A 21 5.532 -9.259 -1.642 1.00 0.00 C ATOM 317 OD1 ASP A 21 5.521 -9.344 -0.402 1.00 0.00 O ATOM 318 OD2 ASP A 21 6.583 -9.077 -2.292 1.00 0.00 O ATOM 0 H ASP A 21 5.014 -7.244 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 21 2.466 -8.338 -2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.647 -10.216 -1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.440 -9.698 -3.424 1.00 0.00 H new ATOM 323 N GLN A 22 3.863 -6.936 -0.345 1.00 0.00 N ATOM 324 CA GLN A 22 3.585 -6.415 0.982 1.00 0.00 C ATOM 325 C GLN A 22 2.460 -5.382 0.916 1.00 0.00 C ATOM 326 O GLN A 22 1.611 -5.327 1.808 1.00 0.00 O ATOM 327 CB GLN A 22 4.839 -5.805 1.602 1.00 0.00 C ATOM 328 CG GLN A 22 4.614 -5.311 3.017 1.00 0.00 C ATOM 329 CD GLN A 22 4.258 -6.432 3.973 1.00 0.00 C ATOM 330 OE1 GLN A 22 4.699 -7.571 3.811 1.00 0.00 O ATOM 331 NE2 GLN A 22 3.449 -6.123 4.971 1.00 0.00 N ATOM 0 H GLN A 22 4.757 -6.638 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 22 3.265 -7.241 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.636 -6.548 1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.179 -4.975 0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.514 -4.808 3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.815 -4.570 3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.105 -5.168 5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.169 -6.839 5.641 1.00 0.00 H new ATOM 340 N CYS A 23 2.449 -4.571 -0.146 1.00 0.00 N ATOM 341 CA CYS A 23 1.335 -3.653 -0.387 1.00 0.00 C ATOM 342 C CYS A 23 0.034 -4.441 -0.460 1.00 0.00 C ATOM 343 O CYS A 23 -0.978 -4.053 0.120 1.00 0.00 O ATOM 344 CB CYS A 23 1.515 -2.868 -1.698 1.00 0.00 C ATOM 345 SG CYS A 23 3.037 -1.884 -1.820 1.00 0.00 S ATOM 0 H CYS A 23 3.191 -4.532 -0.845 1.00 0.00 H new ATOM 0 HA CYS A 23 1.308 -2.941 0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.492 -3.573 -2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.662 -2.201 -1.822 1.00 0.00 H new ATOM 350 N TYR A 24 0.085 -5.559 -1.169 1.00 0.00 N ATOM 351 CA TYR A 24 -1.070 -6.426 -1.339 1.00 0.00 C ATOM 352 C TYR A 24 -1.500 -7.035 -0.002 1.00 0.00 C ATOM 353 O TYR A 24 -2.684 -7.214 0.257 1.00 0.00 O ATOM 354 CB TYR A 24 -0.738 -7.534 -2.345 1.00 0.00 C ATOM 355 CG TYR A 24 -1.937 -8.312 -2.825 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.412 -9.404 -2.116 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.586 -7.958 -3.998 1.00 0.00 C ATOM 358 CE1 TYR A 24 -3.495 -10.125 -2.564 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.675 -8.672 -4.451 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.125 -9.755 -3.731 1.00 0.00 C ATOM 361 OH TYR A 24 -5.203 -10.483 -4.186 1.00 0.00 O ATOM 0 H TYR A 24 0.926 -5.890 -1.641 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.900 -5.830 -1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.239 -7.090 -3.206 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.030 -8.225 -1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.924 -9.694 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.233 -7.110 -4.566 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.849 -10.977 -2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.172 -8.383 -5.365 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.534 -10.091 -5.021 1.00 0.00 H new ATOM 371 N GLN A 25 -0.537 -7.320 0.862 1.00 0.00 N ATOM 372 CA GLN A 25 -0.838 -7.977 2.133 1.00 0.00 C ATOM 373 C GLN A 25 -1.533 -7.019 3.090 1.00 0.00 C ATOM 374 O GLN A 25 -2.387 -7.421 3.876 1.00 0.00 O ATOM 375 CB GLN A 25 0.432 -8.536 2.789 1.00 0.00 C ATOM 376 CG GLN A 25 0.942 -9.831 2.152 1.00 0.00 C ATOM 377 CD GLN A 25 -0.040 -10.973 2.305 1.00 0.00 C ATOM 378 OE1 GLN A 25 -0.801 -11.034 3.273 1.00 0.00 O ATOM 379 NE2 GLN A 25 -0.038 -11.885 1.348 1.00 0.00 N ATOM 0 H GLN A 25 0.450 -7.111 0.713 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.509 -8.808 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.218 -7.783 2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.234 -8.716 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.135 -9.661 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.892 -10.108 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.607 -11.799 0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.682 -12.675 1.395 1.00 0.00 H new ATOM 388 N MET A 26 -1.158 -5.753 3.025 1.00 0.00 N ATOM 389 CA MET A 26 -1.728 -4.748 3.907 1.00 0.00 C ATOM 390 C MET A 26 -2.961 -4.077 3.294 1.00 0.00 C ATOM 391 O MET A 26 -4.013 -3.995 3.928 1.00 0.00 O ATOM 392 CB MET A 26 -0.661 -3.702 4.251 1.00 0.00 C ATOM 393 CG MET A 26 -1.195 -2.457 4.954 1.00 0.00 C ATOM 394 SD MET A 26 0.102 -1.254 5.322 1.00 0.00 S ATOM 395 CE MET A 26 0.844 -1.012 3.704 1.00 0.00 C ATOM 0 H MET A 26 -0.461 -5.396 2.371 1.00 0.00 H new ATOM 0 HA MET A 26 -2.058 -5.247 4.818 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.093 -4.167 4.886 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.160 -3.398 3.332 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.953 -1.988 4.327 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.686 -2.751 5.882 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.162 0.026 3.601 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.708 -1.668 3.598 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.113 -1.246 2.930 1.00 0.00 H new ATOM 405 N CYS A 27 -2.837 -3.614 2.061 1.00 0.00 N ATOM 406 CA CYS A 27 -3.865 -2.766 1.464 1.00 0.00 C ATOM 407 C CYS A 27 -5.036 -3.562 0.889 1.00 0.00 C ATOM 408 O CYS A 27 -6.172 -3.099 0.938 1.00 0.00 O ATOM 409 CB CYS A 27 -3.252 -1.884 0.375 1.00 0.00 C ATOM 410 SG CYS A 27 -1.771 -0.976 0.921 1.00 0.00 S ATOM 0 H CYS A 27 -2.041 -3.808 1.454 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.265 -2.146 2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.991 -2.506 -0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.001 -1.169 0.033 1.00 0.00 H new ATOM 415 N SER A 28 -4.776 -4.747 0.349 1.00 0.00 N ATOM 416 CA SER A 28 -5.834 -5.526 -0.291 1.00 0.00 C ATOM 417 C SER A 28 -6.942 -5.940 0.694 1.00 0.00 C ATOM 418 O SER A 28 -8.118 -5.752 0.383 1.00 0.00 O ATOM 419 CB SER A 28 -5.255 -6.725 -1.044 1.00 0.00 C ATOM 420 OG SER A 28 -4.332 -6.279 -2.023 1.00 0.00 O ATOM 0 H SER A 28 -3.856 -5.186 0.340 1.00 0.00 H new ATOM 0 HA SER A 28 -6.313 -4.876 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.760 -7.400 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.057 -7.290 -1.519 1.00 0.00 H new ATOM 0 HG SER A 28 -4.564 -5.368 -2.300 1.00 0.00 H new ATOM 426 N PRO A 29 -6.616 -6.504 1.885 1.00 0.00 N ATOM 427 CA PRO A 29 -7.627 -6.769 2.926 1.00 0.00 C ATOM 428 C PRO A 29 -8.455 -5.528 3.271 1.00 0.00 C ATOM 429 O PRO A 29 -9.669 -5.609 3.463 1.00 0.00 O ATOM 430 CB PRO A 29 -6.789 -7.205 4.126 1.00 0.00 C ATOM 431 CG PRO A 29 -5.581 -7.826 3.515 1.00 0.00 C ATOM 432 CD PRO A 29 -5.279 -6.988 2.298 1.00 0.00 C ATOM 0 HA PRO A 29 -8.357 -7.511 2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.526 -6.357 4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.329 -7.915 4.753 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.743 -7.825 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.767 -8.865 3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.606 -6.163 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.802 -7.574 1.513 1.00 0.00 H new ATOM 440 N LEU A 30 -7.781 -4.386 3.346 1.00 0.00 N ATOM 441 CA LEU A 30 -8.435 -3.096 3.564 1.00 0.00 C ATOM 442 C LEU A 30 -9.416 -2.835 2.425 1.00 0.00 C ATOM 443 O LEU A 30 -10.622 -2.681 2.633 1.00 0.00 O ATOM 444 CB LEU A 30 -7.363 -1.980 3.602 1.00 0.00 C ATOM 445 CG LEU A 30 -7.783 -0.592 4.138 1.00 0.00 C ATOM 446 CD1 LEU A 30 -6.637 0.394 3.955 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.028 -0.054 3.444 1.00 0.00 C ATOM 0 H LEU A 30 -6.767 -4.326 3.258 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.975 -3.107 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.531 -2.336 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.983 -1.846 2.589 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.020 -0.710 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.935 1.372 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.764 0.043 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.391 0.474 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.281 0.923 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.836 0.042 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.859 -0.741 3.603 1.00 0.00 H new ATOM 459 N GLU A 31 -8.865 -2.804 1.226 1.00 0.00 N ATOM 460 CA GLU A 31 -9.595 -2.425 0.020 1.00 0.00 C ATOM 461 C GLU A 31 -10.805 -3.325 -0.211 1.00 0.00 C ATOM 462 O GLU A 31 -11.935 -2.842 -0.287 1.00 0.00 O ATOM 463 CB GLU A 31 -8.641 -2.464 -1.184 1.00 0.00 C ATOM 464 CG GLU A 31 -9.278 -2.074 -2.512 1.00 0.00 C ATOM 465 CD GLU A 31 -8.286 -2.139 -3.656 1.00 0.00 C ATOM 466 OE1 GLU A 31 -7.735 -3.232 -3.908 1.00 0.00 O ATOM 467 OE2 GLU A 31 -8.055 -1.100 -4.314 1.00 0.00 O ATOM 0 H GLU A 31 -7.888 -3.043 1.055 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.975 -1.411 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.803 -1.795 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.232 -3.470 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.117 -2.738 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.681 -1.064 -2.438 1.00 0.00 H new ATOM 474 N ARG A 32 -10.569 -4.624 -0.309 1.00 0.00 N ATOM 475 CA ARG A 32 -11.644 -5.589 -0.534 1.00 0.00 C ATOM 476 C ARG A 32 -11.306 -6.915 0.135 1.00 0.00 C ATOM 477 O ARG A 32 -10.265 -7.511 -0.145 1.00 0.00 O ATOM 478 CB ARG A 32 -11.880 -5.822 -2.039 1.00 0.00 C ATOM 479 CG ARG A 32 -12.536 -4.641 -2.787 1.00 0.00 C ATOM 480 CD ARG A 32 -14.012 -4.433 -2.429 1.00 0.00 C ATOM 481 NE ARG A 32 -14.214 -4.096 -1.020 1.00 0.00 N ATOM 482 CZ ARG A 32 -15.321 -4.384 -0.338 1.00 0.00 C ATOM 483 NH1 ARG A 32 -16.316 -5.035 -0.928 1.00 0.00 N ATOM 484 NH2 ARG A 32 -15.434 -4.020 0.932 1.00 0.00 N ATOM 0 H ARG A 32 -9.640 -5.040 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.556 -5.179 -0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.923 -6.045 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.509 -6.704 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.984 -3.728 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.451 -4.809 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.423 -3.637 -3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.569 -5.340 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.462 -3.611 -0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.233 -5.315 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.163 -5.255 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.672 -3.518 1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.283 -4.242 1.452 1.00 0.00 H new ATOM 498 N SER A 33 -12.181 -7.368 1.018 1.00 0.00 N ATOM 499 CA SER A 33 -11.973 -8.621 1.729 1.00 0.00 C ATOM 500 C SER A 33 -13.314 -9.151 2.225 1.00 0.00 C ATOM 501 CB SER A 33 -11.005 -8.419 2.904 1.00 0.00 C ATOM 502 OG SER A 33 -10.371 -9.635 3.265 1.00 0.00 O ATOM 0 H SER A 33 -13.046 -6.885 1.261 1.00 0.00 H new ATOM 0 HA SER A 33 -11.530 -9.349 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.251 -7.680 2.634 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.548 -8.021 3.761 1.00 0.00 H new ATOM 0 HG SER A 33 -9.760 -9.475 4.014 1.00 0.00 H new TER 508 SER A 33