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 Single : A 1 ALA N :NH3+ 142:sc= 0.00252 (180deg=0) USER MOD Single : A 2 SER OG : rot 160:sc= -0.338 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= -0.122 (180deg=-0.535) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 165:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= 0.438 F(o=-2.6!,f=0.44) USER MOD Single : A 14 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.024) USER MOD Single : A 16 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc=-0.00214 (180deg=-0.103) USER MOD Single : A 22 GLN : amide:sc= -0.0365 K(o=-0.037,f=-0.6) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.23 F(o=-0.98,f=-0.23) USER MOD Single : A 26 MET CE :methyl 147:sc= -0.276 (180deg=-2.08) USER MOD Single : A 28 SER OG : rot -93:sc= -1.96! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.444 4.158 2.155 1.00 0.00 N ATOM 2 CA ALA A 1 -16.744 3.912 0.876 1.00 0.00 C ATOM 3 C ALA A 1 -15.805 5.064 0.549 1.00 0.00 C ATOM 4 O ALA A 1 -16.181 6.234 0.648 1.00 0.00 O ATOM 5 CB ALA A 1 -17.748 3.713 -0.247 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.425 3.821 2.084 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.958 3.649 2.920 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.442 5.177 2.361 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.151 3.003 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.217 3.533 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.383 2.857 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.365 4.606 -0.346 1.00 0.00 H new ATOM 10 N SER A 2 -14.583 4.727 0.166 1.00 0.00 N ATOM 11 CA SER A 2 -13.578 5.722 -0.179 1.00 0.00 C ATOM 12 C SER A 2 -12.371 5.036 -0.822 1.00 0.00 C ATOM 13 O SER A 2 -11.360 4.804 -0.156 1.00 0.00 O ATOM 14 CB SER A 2 -13.134 6.501 1.074 1.00 0.00 C ATOM 15 OG SER A 2 -12.342 7.627 0.723 1.00 0.00 O ATOM 0 H SER A 2 -14.261 3.763 0.086 1.00 0.00 H new ATOM 0 HA SER A 2 -14.013 6.427 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.011 6.829 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.566 5.844 1.732 1.00 0.00 H new ATOM 0 HG SER A 2 -12.340 8.269 1.463 1.00 0.00 H new ATOM 21 N PRO A 3 -12.466 4.669 -2.119 1.00 0.00 N ATOM 22 CA PRO A 3 -11.337 4.082 -2.861 1.00 0.00 C ATOM 23 C PRO A 3 -10.064 4.924 -2.752 1.00 0.00 C ATOM 24 O PRO A 3 -8.950 4.403 -2.830 1.00 0.00 O ATOM 25 CB PRO A 3 -11.842 4.054 -4.305 1.00 0.00 C ATOM 26 CG PRO A 3 -13.316 3.918 -4.168 1.00 0.00 C ATOM 27 CD PRO A 3 -13.685 4.752 -2.959 1.00 0.00 C ATOM 0 HA PRO A 3 -11.058 3.102 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.573 4.965 -4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.414 3.220 -4.861 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.828 4.274 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.603 2.876 -4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.918 5.781 -3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.559 4.353 -2.444 1.00 0.00 H new ATOM 35 N GLN A 4 -10.245 6.225 -2.553 1.00 0.00 N ATOM 36 CA GLN A 4 -9.137 7.151 -2.376 1.00 0.00 C ATOM 37 C GLN A 4 -8.273 6.760 -1.177 1.00 0.00 C ATOM 38 O GLN A 4 -7.049 6.901 -1.208 1.00 0.00 O ATOM 39 CB GLN A 4 -9.687 8.569 -2.196 1.00 0.00 C ATOM 40 CG GLN A 4 -8.628 9.616 -1.877 1.00 0.00 C ATOM 41 CD GLN A 4 -9.217 11.012 -1.780 1.00 0.00 C ATOM 42 OE1 GLN A 4 -10.215 11.320 -2.431 1.00 0.00 O ATOM 43 NE2 GLN A 4 -8.605 11.869 -0.978 1.00 0.00 N ATOM 0 H GLN A 4 -11.164 6.665 -2.510 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.505 7.113 -3.263 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.208 8.862 -3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.426 8.561 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.140 9.363 -0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.859 9.600 -2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.780 11.577 -0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.959 12.821 -0.884 1.00 0.00 H new ATOM 52 N GLN A 5 -8.912 6.252 -0.132 1.00 0.00 N ATOM 53 CA GLN A 5 -8.196 5.846 1.074 1.00 0.00 C ATOM 54 C GLN A 5 -7.363 4.602 0.814 1.00 0.00 C ATOM 55 O GLN A 5 -6.228 4.494 1.281 1.00 0.00 O ATOM 56 CB GLN A 5 -9.155 5.592 2.238 1.00 0.00 C ATOM 57 CG GLN A 5 -9.787 6.857 2.806 1.00 0.00 C ATOM 58 CD GLN A 5 -10.680 6.583 4.002 1.00 0.00 C ATOM 59 OE1 GLN A 5 -11.320 5.423 4.021 1.00 0.00 O flip ATOM 60 NE2 GLN A 5 -10.796 7.414 4.900 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.921 6.111 -0.093 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.534 6.668 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.946 4.921 1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.616 5.078 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.999 7.551 3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.371 7.347 2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.286 8.296 4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.402 7.222 5.697 1.00 0.00 H new ATOM 69 N ALA A 6 -7.929 3.663 0.073 1.00 0.00 N ATOM 70 CA ALA A 6 -7.205 2.460 -0.303 1.00 0.00 C ATOM 71 C ALA A 6 -6.036 2.814 -1.202 1.00 0.00 C ATOM 72 O ALA A 6 -4.940 2.267 -1.058 1.00 0.00 O ATOM 73 CB ALA A 6 -8.121 1.462 -0.998 1.00 0.00 C ATOM 0 H ALA A 6 -8.885 3.710 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.827 1.993 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.552 0.572 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.933 1.184 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.535 1.915 -1.899 1.00 0.00 H new ATOM 79 N LYS A 7 -6.266 3.754 -2.108 1.00 0.00 N ATOM 80 CA LYS A 7 -5.225 4.208 -3.011 1.00 0.00 C ATOM 81 C LYS A 7 -4.103 4.878 -2.224 1.00 0.00 C ATOM 82 O LYS A 7 -2.939 4.791 -2.597 1.00 0.00 O ATOM 83 CB LYS A 7 -5.801 5.173 -4.054 1.00 0.00 C ATOM 84 CG LYS A 7 -4.798 5.594 -5.116 1.00 0.00 C ATOM 85 CD LYS A 7 -4.265 4.383 -5.887 1.00 0.00 C ATOM 86 CE LYS A 7 -3.354 4.808 -7.036 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.018 5.793 -7.929 1.00 0.00 N ATOM 0 H LYS A 7 -7.167 4.216 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.816 3.344 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.655 4.701 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.174 6.062 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.270 6.291 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.969 6.123 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.716 3.731 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.101 3.803 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.439 5.241 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.064 3.931 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.516 5.830 -8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.005 5.507 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.998 6.733 -7.485 1.00 0.00 H new ATOM 101 N TYR A 8 -4.461 5.524 -1.118 1.00 0.00 N ATOM 102 CA TYR A 8 -3.476 6.173 -0.261 1.00 0.00 C ATOM 103 C TYR A 8 -2.515 5.141 0.320 1.00 0.00 C ATOM 104 O TYR A 8 -1.303 5.354 0.336 1.00 0.00 O ATOM 105 CB TYR A 8 -4.164 6.953 0.866 1.00 0.00 C ATOM 106 CG TYR A 8 -3.213 7.780 1.703 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.824 9.044 1.288 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.709 7.299 2.906 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.959 9.810 2.045 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.842 8.058 3.669 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.471 9.312 3.233 1.00 0.00 C ATOM 112 OH TYR A 8 -0.608 10.071 3.990 1.00 0.00 O ATOM 0 H TYR A 8 -5.425 5.612 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.908 6.878 -0.868 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.918 7.610 0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.688 6.251 1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.204 9.437 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.999 6.317 3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.667 10.793 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.457 7.671 4.601 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.359 9.575 4.798 1.00 0.00 H new ATOM 122 N CYS A 9 -3.058 4.015 0.778 1.00 0.00 N ATOM 123 CA CYS A 9 -2.227 2.942 1.315 1.00 0.00 C ATOM 124 C CYS A 9 -1.257 2.440 0.254 1.00 0.00 C ATOM 125 O CYS A 9 -0.048 2.393 0.479 1.00 0.00 O ATOM 126 CB CYS A 9 -3.071 1.765 1.832 1.00 0.00 C ATOM 127 SG CYS A 9 -2.054 0.327 2.319 1.00 0.00 S ATOM 0 H CYS A 9 -4.060 3.824 0.788 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.672 3.357 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.660 2.094 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.775 1.461 1.058 1.00 0.00 H new ATOM 132 N TYR A 10 -1.794 2.102 -0.909 1.00 0.00 N ATOM 133 CA TYR A 10 -0.998 1.530 -1.989 1.00 0.00 C ATOM 134 C TYR A 10 -0.027 2.550 -2.575 1.00 0.00 C ATOM 135 O TYR A 10 1.035 2.185 -3.073 1.00 0.00 O ATOM 136 CB TYR A 10 -1.907 0.967 -3.087 1.00 0.00 C ATOM 137 CG TYR A 10 -2.577 -0.332 -2.700 1.00 0.00 C ATOM 138 CD1 TYR A 10 -3.853 -0.356 -2.147 1.00 0.00 C ATOM 139 CD2 TYR A 10 -1.923 -1.538 -2.885 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.452 -1.546 -1.795 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.514 -2.731 -2.535 1.00 0.00 C ATOM 142 CZ TYR A 10 -3.779 -2.732 -1.991 1.00 0.00 C ATOM 143 OH TYR A 10 -4.374 -3.920 -1.637 1.00 0.00 O ATOM 0 H TYR A 10 -2.783 2.214 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.409 0.716 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.672 1.704 -3.329 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.319 0.809 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.382 0.572 -1.991 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.931 -1.543 -3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.444 -1.549 -1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.988 -3.662 -2.686 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.887 -4.665 -2.047 1.00 0.00 H new ATOM 153 N GLU A 11 -0.387 3.823 -2.522 1.00 0.00 N ATOM 154 CA GLU A 11 0.505 4.874 -2.977 1.00 0.00 C ATOM 155 C GLU A 11 1.691 5.017 -2.023 1.00 0.00 C ATOM 156 O GLU A 11 2.843 4.960 -2.441 1.00 0.00 O ATOM 157 CB GLU A 11 -0.245 6.212 -3.101 1.00 0.00 C ATOM 158 CG GLU A 11 0.630 7.363 -3.570 1.00 0.00 C ATOM 159 CD GLU A 11 -0.107 8.686 -3.580 1.00 0.00 C ATOM 160 OE1 GLU A 11 -0.796 8.980 -4.579 1.00 0.00 O ATOM 161 OE2 GLU A 11 0.004 9.446 -2.591 1.00 0.00 O ATOM 0 H GLU A 11 -1.286 4.151 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 11 0.880 4.599 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.074 6.090 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.677 6.467 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.501 7.441 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.999 7.149 -4.573 1.00 0.00 H new ATOM 168 N GLN A 12 1.404 5.159 -0.734 1.00 0.00 N ATOM 169 CA GLN A 12 2.430 5.503 0.236 1.00 0.00 C ATOM 170 C GLN A 12 3.250 4.291 0.675 1.00 0.00 C ATOM 171 O GLN A 12 4.380 4.450 1.130 1.00 0.00 O ATOM 172 CB GLN A 12 1.796 6.191 1.449 1.00 0.00 C ATOM 173 CG GLN A 12 1.000 7.430 1.082 1.00 0.00 C ATOM 174 CD GLN A 12 1.841 8.689 0.965 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.113 8.537 0.643 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 1.346 9.795 1.177 1.00 0.00 N flip ATOM 0 H GLN A 12 0.471 5.041 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 12 3.121 6.191 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.142 5.484 1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.580 6.466 2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.491 7.255 0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.227 7.590 1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.359 9.873 1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.922 10.634 1.106 1.00 0.00 H new ATOM 185 N CYS A 13 2.705 3.087 0.512 1.00 0.00 N ATOM 186 CA CYS A 13 3.379 1.883 0.999 1.00 0.00 C ATOM 187 C CYS A 13 4.739 1.709 0.326 1.00 0.00 C ATOM 188 O CYS A 13 5.754 1.531 0.999 1.00 0.00 O ATOM 189 CB CYS A 13 2.498 0.632 0.793 1.00 0.00 C ATOM 190 SG CYS A 13 2.110 0.241 -0.943 1.00 0.00 S ATOM 0 H CYS A 13 1.810 2.919 0.053 1.00 0.00 H new ATOM 0 HA CYS A 13 3.545 2.003 2.070 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.001 -0.226 1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.563 0.771 1.336 1.00 0.00 H new ATOM 195 N ASN A 14 4.768 1.791 -0.997 1.00 0.00 N ATOM 196 CA ASN A 14 6.028 1.677 -1.729 1.00 0.00 C ATOM 197 C ASN A 14 6.883 2.927 -1.540 1.00 0.00 C ATOM 198 O ASN A 14 8.111 2.858 -1.581 1.00 0.00 O ATOM 199 CB ASN A 14 5.788 1.427 -3.224 1.00 0.00 C ATOM 200 CG ASN A 14 5.037 2.561 -3.913 1.00 0.00 C ATOM 201 OD1 ASN A 14 5.652 3.502 -4.412 1.00 0.00 O ATOM 202 ND2 ASN A 14 3.709 2.490 -3.964 1.00 0.00 N ATOM 0 H ASN A 14 3.945 1.934 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 14 6.563 0.820 -1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.748 1.283 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.225 0.502 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.176 3.227 -4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.224 1.698 -3.542 1.00 0.00 H new ATOM 209 N VAL A 15 6.230 4.064 -1.323 1.00 0.00 N ATOM 210 CA VAL A 15 6.937 5.319 -1.111 1.00 0.00 C ATOM 211 C VAL A 15 7.723 5.272 0.197 1.00 0.00 C ATOM 212 O VAL A 15 8.827 5.817 0.287 1.00 0.00 O ATOM 213 CB VAL A 15 5.976 6.533 -1.104 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.711 7.812 -0.723 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.315 6.706 -2.467 1.00 0.00 C ATOM 0 H VAL A 15 5.213 4.141 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 15 7.627 5.446 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 15 5.206 6.339 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.012 8.648 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.141 7.702 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.507 8.002 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.644 7.565 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.081 6.868 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.747 5.809 -2.712 1.00 0.00 H new ATOM 225 N ASN A 16 7.159 4.618 1.209 1.00 0.00 N ATOM 226 CA ASN A 16 7.876 4.433 2.464 1.00 0.00 C ATOM 227 C ASN A 16 8.966 3.388 2.270 1.00 0.00 C ATOM 228 O ASN A 16 10.141 3.734 2.143 1.00 0.00 O ATOM 229 CB ASN A 16 6.926 3.991 3.586 1.00 0.00 C ATOM 230 CG ASN A 16 5.827 4.993 3.883 1.00 0.00 C ATOM 231 OD1 ASN A 16 6.118 6.270 3.713 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 4.722 4.619 4.272 1.00 0.00 N flip ATOM 0 H ASN A 16 6.223 4.214 1.185 1.00 0.00 H new ATOM 0 HA ASN A 16 8.320 5.385 2.754 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.473 3.038 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.505 3.820 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.533 3.624 4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.994 5.304 4.475 1.00 0.00 H new ATOM 239 N LYS A 17 8.558 2.113 2.205 1.00 0.00 N ATOM 240 CA LYS A 17 9.441 1.022 1.798 1.00 0.00 C ATOM 241 C LYS A 17 8.714 -0.334 1.872 1.00 0.00 C ATOM 242 O LYS A 17 8.835 -1.060 2.859 1.00 0.00 O ATOM 243 CB LYS A 17 10.738 0.966 2.648 1.00 0.00 C ATOM 244 CG LYS A 17 10.539 0.731 4.152 1.00 0.00 C ATOM 245 CD LYS A 17 10.115 2.001 4.889 1.00 0.00 C ATOM 246 CE LYS A 17 9.866 1.731 6.366 1.00 0.00 C ATOM 247 NZ LYS A 17 8.677 0.867 6.588 1.00 0.00 N ATOM 0 H LYS A 17 7.610 1.814 2.433 1.00 0.00 H new ATOM 0 HA LYS A 17 9.725 1.223 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.373 0.172 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.279 1.903 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.784 -0.041 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.467 0.356 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.889 2.761 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.210 2.402 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.745 1.254 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.727 2.678 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.436 0.862 7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.873 1.236 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.890 -0.103 6.278 1.00 0.00 H new ATOM 261 N VAL A 18 7.971 -0.701 0.829 1.00 0.00 N ATOM 262 CA VAL A 18 7.397 -2.045 0.762 1.00 0.00 C ATOM 263 C VAL A 18 7.287 -2.487 -0.698 1.00 0.00 C ATOM 264 O VAL A 18 7.016 -1.671 -1.586 1.00 0.00 O ATOM 265 CB VAL A 18 5.985 -2.174 1.436 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.819 -1.246 2.634 1.00 0.00 C ATOM 267 CG2 VAL A 18 4.870 -1.963 0.429 1.00 0.00 C ATOM 0 H VAL A 18 7.755 -0.101 0.033 1.00 0.00 H new ATOM 0 HA VAL A 18 8.076 -2.687 1.324 1.00 0.00 H new ATOM 0 HB VAL A 18 5.917 -3.194 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.825 -1.377 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.571 -1.485 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.942 -0.212 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.906 -2.059 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.956 -0.967 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.946 -2.711 -0.360 1.00 0.00 H new ATOM 277 N PRO A 19 7.556 -3.769 -0.967 1.00 0.00 N ATOM 278 CA PRO A 19 7.264 -4.390 -2.262 1.00 0.00 C ATOM 279 C PRO A 19 5.754 -4.510 -2.494 1.00 0.00 C ATOM 280 O PRO A 19 4.990 -4.547 -1.526 1.00 0.00 O ATOM 281 CB PRO A 19 7.890 -5.788 -2.156 1.00 0.00 C ATOM 282 CG PRO A 19 8.793 -5.738 -0.970 1.00 0.00 C ATOM 283 CD PRO A 19 8.213 -4.705 -0.047 1.00 0.00 C ATOM 0 HA PRO A 19 7.656 -3.804 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.123 -6.552 -2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.445 -6.038 -3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.848 -6.711 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.808 -5.471 -1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.505 -5.144 0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.985 -4.214 0.545 1.00 0.00 H new ATOM 291 N PHE A 20 5.317 -4.562 -3.751 1.00 0.00 N ATOM 292 CA PHE A 20 3.883 -4.630 -4.060 1.00 0.00 C ATOM 293 C PHE A 20 3.208 -5.780 -3.313 1.00 0.00 C ATOM 294 O PHE A 20 2.134 -5.602 -2.733 1.00 0.00 O ATOM 295 CB PHE A 20 3.648 -4.781 -5.568 1.00 0.00 C ATOM 296 CG PHE A 20 2.199 -4.687 -5.960 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.409 -5.824 -6.050 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.628 -3.458 -6.238 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.079 -5.733 -6.411 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.299 -3.361 -6.600 1.00 0.00 C ATOM 301 CZ PHE A 20 -0.477 -4.500 -6.686 1.00 0.00 C ATOM 0 H PHE A 20 5.927 -4.559 -4.569 1.00 0.00 H new ATOM 0 HA PHE A 20 3.438 -3.692 -3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.210 -4.010 -6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.043 -5.743 -5.895 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.839 -6.791 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.229 -2.563 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.525 -6.626 -6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.133 -2.395 -6.816 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.517 -4.426 -6.968 1.00 0.00 H new ATOM 311 N ASP A 21 3.851 -6.947 -3.308 1.00 0.00 N ATOM 312 CA ASP A 21 3.302 -8.120 -2.634 1.00 0.00 C ATOM 313 C ASP A 21 3.040 -7.829 -1.158 1.00 0.00 C ATOM 314 O ASP A 21 2.009 -8.224 -0.616 1.00 0.00 O ATOM 315 CB ASP A 21 4.233 -9.334 -2.779 1.00 0.00 C ATOM 316 CG ASP A 21 5.614 -9.115 -2.191 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.539 -8.751 -2.943 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.786 -9.323 -0.975 1.00 0.00 O ATOM 0 H ASP A 21 4.751 -7.104 -3.762 1.00 0.00 H new ATOM 0 HA ASP A 21 2.353 -8.359 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.773 -10.194 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.332 -9.581 -3.836 1.00 0.00 H new ATOM 323 N GLN A 22 3.968 -7.121 -0.522 1.00 0.00 N ATOM 324 CA GLN A 22 3.818 -6.720 0.869 1.00 0.00 C ATOM 325 C GLN A 22 2.669 -5.731 1.019 1.00 0.00 C ATOM 326 O GLN A 22 1.887 -5.812 1.968 1.00 0.00 O ATOM 327 CB GLN A 22 5.114 -6.096 1.380 1.00 0.00 C ATOM 328 CG GLN A 22 5.025 -5.614 2.815 1.00 0.00 C ATOM 329 CD GLN A 22 4.788 -6.740 3.803 1.00 0.00 C ATOM 330 OE1 GLN A 22 5.204 -7.880 3.587 1.00 0.00 O ATOM 331 NE2 GLN A 22 4.112 -6.429 4.894 1.00 0.00 N ATOM 0 H GLN A 22 4.839 -6.812 -0.954 1.00 0.00 H new ATOM 0 HA GLN A 22 3.594 -7.607 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.918 -6.828 1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.382 -5.257 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.948 -5.096 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.217 -4.887 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.785 -5.473 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.917 -7.144 5.595 1.00 0.00 H new ATOM 340 N CYS A 23 2.560 -4.807 0.069 1.00 0.00 N ATOM 341 CA CYS A 23 1.499 -3.799 0.105 1.00 0.00 C ATOM 342 C CYS A 23 0.139 -4.483 0.001 1.00 0.00 C ATOM 343 O CYS A 23 -0.813 -4.117 0.698 1.00 0.00 O ATOM 344 CB CYS A 23 1.671 -2.763 -1.023 1.00 0.00 C ATOM 345 SG CYS A 23 0.716 -1.229 -0.790 1.00 0.00 S ATOM 0 H CYS A 23 3.188 -4.733 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 23 1.562 -3.265 1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.728 -2.509 -1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.376 -3.220 -1.967 1.00 0.00 H new ATOM 350 N TYR A 24 0.067 -5.500 -0.852 1.00 0.00 N ATOM 351 CA TYR A 24 -1.142 -6.294 -0.999 1.00 0.00 C ATOM 352 C TYR A 24 -1.464 -7.037 0.292 1.00 0.00 C ATOM 353 O TYR A 24 -2.615 -7.120 0.690 1.00 0.00 O ATOM 354 CB TYR A 24 -0.999 -7.294 -2.158 1.00 0.00 C ATOM 355 CG TYR A 24 -2.247 -8.107 -2.412 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.362 -9.406 -1.936 1.00 0.00 C ATOM 357 CD2 TYR A 24 -3.313 -7.572 -3.121 1.00 0.00 C ATOM 358 CE1 TYR A 24 -3.503 -10.149 -2.158 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.458 -8.309 -3.349 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.551 -9.597 -2.866 1.00 0.00 C ATOM 361 OH TYR A 24 -5.695 -10.332 -3.086 1.00 0.00 O ATOM 0 H TYR A 24 0.837 -5.793 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.963 -5.613 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.738 -6.750 -3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.172 -7.971 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.544 -9.843 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.246 -6.563 -3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.576 -11.158 -1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.278 -7.878 -3.904 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.335 -9.796 -3.599 1.00 0.00 H new ATOM 371 N GLN A 25 -0.447 -7.536 0.975 1.00 0.00 N ATOM 372 CA GLN A 25 -0.681 -8.388 2.137 1.00 0.00 C ATOM 373 C GLN A 25 -1.220 -7.578 3.310 1.00 0.00 C ATOM 374 O GLN A 25 -1.851 -8.125 4.217 1.00 0.00 O ATOM 375 CB GLN A 25 0.593 -9.138 2.549 1.00 0.00 C ATOM 376 CG GLN A 25 1.018 -10.228 1.556 1.00 0.00 C ATOM 377 CD GLN A 25 -0.059 -11.272 1.322 1.00 0.00 C ATOM 378 OE1 GLN A 25 -0.842 -11.571 2.347 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -0.174 -11.819 0.226 1.00 0.00 N flip ATOM 0 H GLN A 25 0.535 -7.372 0.753 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.431 -9.126 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.407 -8.421 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.436 -9.592 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.278 -9.763 0.605 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.917 -10.719 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.448 -11.562 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.892 -12.530 0.084 1.00 0.00 H new ATOM 388 N MET A 26 -0.973 -6.277 3.290 1.00 0.00 N ATOM 389 CA MET A 26 -1.449 -5.401 4.348 1.00 0.00 C ATOM 390 C MET A 26 -2.833 -4.822 4.034 1.00 0.00 C ATOM 391 O MET A 26 -3.751 -4.936 4.843 1.00 0.00 O ATOM 392 CB MET A 26 -0.436 -4.275 4.591 1.00 0.00 C ATOM 393 CG MET A 26 -0.946 -3.154 5.494 1.00 0.00 C ATOM 394 SD MET A 26 0.277 -1.847 5.750 1.00 0.00 S ATOM 395 CE MET A 26 0.688 -1.389 4.065 1.00 0.00 C ATOM 0 H MET A 26 -0.447 -5.806 2.554 1.00 0.00 H new ATOM 0 HA MET A 26 -1.548 -5.997 5.255 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.464 -4.701 5.034 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.147 -3.849 3.630 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.846 -2.722 5.056 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.231 -3.573 6.459 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.916 -0.324 4.023 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.556 -1.960 3.734 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.158 -1.605 3.413 1.00 0.00 H new ATOM 405 N CYS A 27 -2.993 -4.216 2.863 1.00 0.00 N ATOM 406 CA CYS A 27 -4.219 -3.467 2.572 1.00 0.00 C ATOM 407 C CYS A 27 -5.197 -4.200 1.654 1.00 0.00 C ATOM 408 O CYS A 27 -6.197 -3.611 1.242 1.00 0.00 O ATOM 409 CB CYS A 27 -3.902 -2.073 2.015 1.00 0.00 C ATOM 410 SG CYS A 27 -3.332 -0.904 3.295 1.00 0.00 S ATOM 0 H CYS A 27 -2.306 -4.225 2.109 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.725 -3.364 3.532 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.136 -2.162 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.793 -1.669 1.533 1.00 0.00 H new ATOM 415 N SER A 28 -4.935 -5.458 1.311 1.00 0.00 N ATOM 416 CA SER A 28 -5.933 -6.228 0.568 1.00 0.00 C ATOM 417 C SER A 28 -7.258 -6.340 1.347 1.00 0.00 C ATOM 418 O SER A 28 -8.314 -6.134 0.760 1.00 0.00 O ATOM 419 CB SER A 28 -5.415 -7.608 0.134 1.00 0.00 C ATOM 420 OG SER A 28 -4.869 -8.345 1.214 1.00 0.00 O ATOM 0 H SER A 28 -4.071 -5.955 1.526 1.00 0.00 H new ATOM 0 HA SER A 28 -6.133 -5.671 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.231 -8.175 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.655 -7.482 -0.637 1.00 0.00 H new ATOM 0 HG SER A 28 -3.903 -8.187 1.263 1.00 0.00 H new ATOM 426 N PRO A 29 -7.250 -6.642 2.677 1.00 0.00 N ATOM 427 CA PRO A 29 -8.490 -6.657 3.479 1.00 0.00 C ATOM 428 C PRO A 29 -9.254 -5.335 3.401 1.00 0.00 C ATOM 429 O PRO A 29 -10.464 -5.282 3.635 1.00 0.00 O ATOM 430 CB PRO A 29 -7.993 -6.904 4.904 1.00 0.00 C ATOM 431 CG PRO A 29 -6.714 -7.645 4.721 1.00 0.00 C ATOM 432 CD PRO A 29 -6.082 -7.044 3.493 1.00 0.00 C ATOM 0 HA PRO A 29 -9.192 -7.410 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.838 -5.967 5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.711 -7.486 5.481 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.067 -7.535 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.892 -8.712 4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.451 -6.191 3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.453 -7.764 2.970 1.00 0.00 H new ATOM 440 N LEU A 30 -8.532 -4.278 3.064 1.00 0.00 N ATOM 441 CA LEU A 30 -9.113 -2.957 2.898 1.00 0.00 C ATOM 442 C LEU A 30 -9.746 -2.860 1.514 1.00 0.00 C ATOM 443 O LEU A 30 -10.954 -2.673 1.381 1.00 0.00 O ATOM 444 CB LEU A 30 -8.015 -1.884 3.057 1.00 0.00 C ATOM 445 CG LEU A 30 -8.470 -0.457 3.425 1.00 0.00 C ATOM 446 CD1 LEU A 30 -7.265 0.476 3.465 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.509 0.079 2.445 1.00 0.00 C ATOM 0 H LEU A 30 -7.526 -4.313 2.898 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.878 -2.792 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.319 -2.224 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.458 -1.830 2.122 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.936 -0.501 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.593 1.482 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.555 0.121 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.785 0.493 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.802 1.086 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.084 0.105 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.384 -0.570 2.451 1.00 0.00 H new ATOM 459 N GLU A 31 -8.918 -3.015 0.490 1.00 0.00 N ATOM 460 CA GLU A 31 -9.351 -2.804 -0.888 1.00 0.00 C ATOM 461 C GLU A 31 -10.112 -4.017 -1.419 1.00 0.00 C ATOM 462 O GLU A 31 -11.332 -3.973 -1.586 1.00 0.00 O ATOM 463 CB GLU A 31 -8.142 -2.503 -1.785 1.00 0.00 C ATOM 464 CG GLU A 31 -8.515 -2.087 -3.203 1.00 0.00 C ATOM 465 CD GLU A 31 -7.304 -1.819 -4.072 1.00 0.00 C ATOM 466 OE1 GLU A 31 -6.669 -2.790 -4.535 1.00 0.00 O ATOM 467 OE2 GLU A 31 -6.994 -0.636 -4.315 1.00 0.00 O ATOM 0 H GLU A 31 -7.940 -3.287 0.586 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.026 -1.948 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.551 -1.710 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.507 -3.388 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.119 -2.871 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.134 -1.191 -3.163 1.00 0.00 H new ATOM 474 N ARG A 32 -9.392 -5.101 -1.663 1.00 0.00 N ATOM 475 CA ARG A 32 -9.992 -6.327 -2.182 1.00 0.00 C ATOM 476 C ARG A 32 -9.263 -7.549 -1.639 1.00 0.00 C ATOM 477 O ARG A 32 -8.070 -7.739 -1.881 1.00 0.00 O ATOM 478 CB ARG A 32 -9.968 -6.355 -3.725 1.00 0.00 C ATOM 479 CG ARG A 32 -10.976 -5.419 -4.416 1.00 0.00 C ATOM 480 CD ARG A 32 -12.428 -5.797 -4.121 1.00 0.00 C ATOM 481 NE ARG A 32 -12.605 -7.245 -3.962 1.00 0.00 N ATOM 482 CZ ARG A 32 -13.530 -7.803 -3.178 1.00 0.00 C ATOM 483 NH1 ARG A 32 -14.377 -7.042 -2.489 1.00 0.00 N ATOM 484 NH2 ARG A 32 -13.605 -9.126 -3.082 1.00 0.00 N ATOM 0 H ARG A 32 -8.385 -5.159 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.031 -6.349 -1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.965 -6.093 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.159 -7.376 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.798 -4.395 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.810 -5.444 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.755 -5.291 -3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.065 -5.442 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.983 -7.863 -4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.322 -6.026 -2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.081 -7.475 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.957 -9.713 -3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.311 -9.555 -2.484 1.00 0.00 H new ATOM 498 N SER A 33 -9.988 -8.368 -0.899 1.00 0.00 N ATOM 499 CA SER A 33 -9.424 -9.571 -0.310 1.00 0.00 C ATOM 500 C SER A 33 -10.442 -10.694 -0.408 1.00 0.00 C ATOM 501 CB SER A 33 -9.029 -9.333 1.156 1.00 0.00 C ATOM 502 OG SER A 33 -8.232 -10.396 1.654 1.00 0.00 O ATOM 0 H SER A 33 -10.976 -8.221 -0.690 1.00 0.00 H new ATOM 0 HA SER A 33 -8.521 -9.845 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.481 -8.395 1.239 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.927 -9.233 1.765 1.00 0.00 H new ATOM 0 HG SER A 33 -7.994 -10.217 2.588 1.00 0.00 H new TER 508 SER A 33