USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=15 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 22 GLN :FLIP amide:sc= -0.0705 F(o=-0.64,f=-0.071) USER MOD Set 1.2: A 25 GLN : amide:sc= 0 X(o=-0.071,f=-0.47) USER MOD Set 2.1: A 8 TYR OH : rot 30:sc= 0.0267 USER MOD Set 2.2: A 12 GLN :FLIP amide:sc= 0.531 F(o=-2.4!,f=0.56) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 166:sc= -0.585 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 5 GLN :FLIP amide:sc=-0.00222 F(o=-0.98,f=-0.0022) USER MOD Single : A 7 LYS NZ :NH3+ -106:sc= -1.29 (180deg=-1.49) USER MOD Single : A 10 TYR OH : rot 162:sc= 0.0592 USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0129 F(o=-1.7!,f=-0.013) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0722) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 157:sc= -0.227 (180deg=-0.998) USER MOD Single : A 28 SER OG : rot -96:sc= -2.33! USER MOD Single : A 33 SER OG : rot 180:sc= 0.0434 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.652 2.945 0.861 1.00 0.00 N ATOM 2 CA ALA A 1 -16.903 2.822 -0.409 1.00 0.00 C ATOM 3 C ALA A 1 -15.979 4.016 -0.593 1.00 0.00 C ATOM 4 O ALA A 1 -16.409 5.165 -0.486 1.00 0.00 O ATOM 5 CB ALA A 1 -17.866 2.707 -1.580 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.279 2.123 0.975 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.983 2.983 1.656 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.221 3.816 0.846 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.296 1.918 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.301 2.617 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.493 1.825 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.495 3.596 -1.623 1.00 0.00 H new ATOM 10 N SER A 2 -14.710 3.745 -0.874 1.00 0.00 N ATOM 11 CA SER A 2 -13.715 4.801 -1.008 1.00 0.00 C ATOM 12 C SER A 2 -12.421 4.237 -1.602 1.00 0.00 C ATOM 13 O SER A 2 -11.476 3.934 -0.866 1.00 0.00 O ATOM 14 CB SER A 2 -13.423 5.441 0.364 1.00 0.00 C ATOM 15 OG SER A 2 -12.651 6.623 0.224 1.00 0.00 O ATOM 0 H SER A 2 -14.346 2.802 -1.013 1.00 0.00 H new ATOM 0 HA SER A 2 -14.111 5.565 -1.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.362 5.674 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.891 4.729 0.995 1.00 0.00 H new ATOM 0 HG SER A 2 -12.669 7.127 1.064 1.00 0.00 H new ATOM 21 N PRO A 3 -12.359 4.059 -2.939 1.00 0.00 N ATOM 22 CA PRO A 3 -11.150 3.559 -3.611 1.00 0.00 C ATOM 23 C PRO A 3 -9.924 4.442 -3.364 1.00 0.00 C ATOM 24 O PRO A 3 -8.786 4.006 -3.553 1.00 0.00 O ATOM 25 CB PRO A 3 -11.520 3.561 -5.100 1.00 0.00 C ATOM 26 CG PRO A 3 -13.008 3.527 -5.125 1.00 0.00 C ATOM 27 CD PRO A 3 -13.464 4.282 -3.893 1.00 0.00 C ATOM 0 HA PRO A 3 -10.869 2.576 -3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.137 4.450 -5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.096 2.698 -5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.394 3.992 -6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.375 2.501 -5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.610 5.342 -4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.410 3.898 -3.512 1.00 0.00 H new ATOM 35 N GLN A 4 -10.159 5.675 -2.930 1.00 0.00 N ATOM 36 CA GLN A 4 -9.072 6.606 -2.642 1.00 0.00 C ATOM 37 C GLN A 4 -8.309 6.179 -1.392 1.00 0.00 C ATOM 38 O GLN A 4 -7.097 6.369 -1.301 1.00 0.00 O ATOM 39 CB GLN A 4 -9.600 8.034 -2.475 1.00 0.00 C ATOM 40 CG GLN A 4 -10.102 8.668 -3.775 1.00 0.00 C ATOM 41 CD GLN A 4 -10.731 10.031 -3.559 1.00 0.00 C ATOM 42 OE1 GLN A 4 -10.272 10.746 -2.546 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -11.630 10.437 -4.296 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.092 6.054 -2.770 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.388 6.589 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.413 8.027 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.807 8.657 -2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.270 8.763 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.832 8.005 -4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.958 9.856 -5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.047 11.354 -4.135 1.00 0.00 H new ATOM 52 N GLN A 5 -9.019 5.588 -0.440 1.00 0.00 N ATOM 53 CA GLN A 5 -8.390 5.099 0.788 1.00 0.00 C ATOM 54 C GLN A 5 -7.405 3.984 0.468 1.00 0.00 C ATOM 55 O GLN A 5 -6.308 3.919 1.030 1.00 0.00 O ATOM 56 CB GLN A 5 -9.430 4.584 1.789 1.00 0.00 C ATOM 57 CG GLN A 5 -10.315 5.665 2.404 1.00 0.00 C ATOM 58 CD GLN A 5 -11.307 5.105 3.409 1.00 0.00 C ATOM 59 OE1 GLN A 5 -10.930 4.033 4.091 1.00 0.00 O flip ATOM 60 NE2 GLN A 5 -12.404 5.637 3.575 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.026 5.434 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.863 5.939 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.066 3.855 1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.913 4.058 2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.687 6.408 2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.858 6.180 1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.659 6.461 3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.059 5.254 4.257 1.00 0.00 H new ATOM 69 N ALA A 6 -7.809 3.107 -0.440 1.00 0.00 N ATOM 70 CA ALA A 6 -6.949 2.026 -0.896 1.00 0.00 C ATOM 71 C ALA A 6 -5.767 2.586 -1.672 1.00 0.00 C ATOM 72 O ALA A 6 -4.632 2.139 -1.503 1.00 0.00 O ATOM 73 CB ALA A 6 -7.733 1.037 -1.747 1.00 0.00 C ATOM 0 H ALA A 6 -8.731 3.124 -0.876 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.569 1.493 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.071 0.237 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.547 0.615 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.144 1.551 -2.616 1.00 0.00 H new ATOM 79 N LYS A 7 -6.038 3.592 -2.494 1.00 0.00 N ATOM 80 CA LYS A 7 -4.998 4.234 -3.284 1.00 0.00 C ATOM 81 C LYS A 7 -3.967 4.899 -2.371 1.00 0.00 C ATOM 82 O LYS A 7 -2.776 4.909 -2.678 1.00 0.00 O ATOM 83 CB LYS A 7 -5.615 5.258 -4.249 1.00 0.00 C ATOM 84 CG LYS A 7 -4.590 6.013 -5.077 1.00 0.00 C ATOM 85 CD LYS A 7 -3.771 5.069 -5.961 1.00 0.00 C ATOM 86 CE LYS A 7 -2.612 5.804 -6.626 1.00 0.00 C ATOM 87 NZ LYS A 7 -1.693 6.401 -5.620 1.00 0.00 N ATOM 0 H LYS A 7 -6.971 3.981 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.488 3.473 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.303 4.743 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.205 5.974 -3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.097 6.748 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.921 6.564 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.386 4.246 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.414 4.632 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.058 5.112 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.002 6.589 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.831 7.431 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.896 5.998 -4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.709 6.191 -5.881 1.00 0.00 H new ATOM 101 N TYR A 8 -4.433 5.442 -1.249 1.00 0.00 N ATOM 102 CA TYR A 8 -3.544 6.033 -0.254 1.00 0.00 C ATOM 103 C TYR A 8 -2.611 4.971 0.324 1.00 0.00 C ATOM 104 O TYR A 8 -1.411 5.202 0.477 1.00 0.00 O ATOM 105 CB TYR A 8 -4.353 6.689 0.875 1.00 0.00 C ATOM 106 CG TYR A 8 -3.495 7.335 1.942 1.00 0.00 C ATOM 107 CD1 TYR A 8 -3.200 6.666 3.124 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.972 8.608 1.763 1.00 0.00 C ATOM 109 CE1 TYR A 8 -2.410 7.246 4.096 1.00 0.00 C ATOM 110 CE2 TYR A 8 -2.183 9.198 2.733 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.904 8.511 3.896 1.00 0.00 C ATOM 112 OH TYR A 8 -1.111 9.091 4.863 1.00 0.00 O ATOM 0 H TYR A 8 -5.423 5.485 -1.006 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.946 6.800 -0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.013 7.443 0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.989 5.935 1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.596 5.674 3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.185 9.146 0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.190 6.711 5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.787 10.191 2.581 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.624 8.393 5.349 1.00 0.00 H new ATOM 122 N CYS A 9 -3.171 3.804 0.621 1.00 0.00 N ATOM 123 CA CYS A 9 -2.401 2.705 1.200 1.00 0.00 C ATOM 124 C CYS A 9 -1.322 2.245 0.224 1.00 0.00 C ATOM 125 O CYS A 9 -0.148 2.141 0.585 1.00 0.00 O ATOM 126 CB CYS A 9 -3.329 1.534 1.572 1.00 0.00 C ATOM 127 SG CYS A 9 -2.501 0.169 2.453 1.00 0.00 S ATOM 0 H CYS A 9 -4.157 3.592 0.471 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.917 3.060 2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.140 1.912 2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.782 1.141 0.661 1.00 0.00 H new ATOM 132 N TYR A 10 -1.722 2.013 -1.021 1.00 0.00 N ATOM 133 CA TYR A 10 -0.792 1.573 -2.055 1.00 0.00 C ATOM 134 C TYR A 10 0.215 2.662 -2.402 1.00 0.00 C ATOM 135 O TYR A 10 1.329 2.374 -2.837 1.00 0.00 O ATOM 136 CB TYR A 10 -1.546 1.138 -3.316 1.00 0.00 C ATOM 137 CG TYR A 10 -2.199 -0.216 -3.191 1.00 0.00 C ATOM 138 CD1 TYR A 10 -3.558 -0.345 -2.925 1.00 0.00 C ATOM 139 CD2 TYR A 10 -1.449 -1.370 -3.335 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.143 -1.589 -2.809 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.024 -2.614 -3.222 1.00 0.00 C ATOM 142 CZ TYR A 10 -3.370 -2.722 -2.958 1.00 0.00 C ATOM 143 OH TYR A 10 -3.946 -3.965 -2.837 1.00 0.00 O ATOM 0 H TYR A 10 -2.685 2.122 -1.339 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.245 0.718 -1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.310 1.881 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.852 1.122 -4.157 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.164 0.541 -2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.392 -1.292 -3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.200 -1.675 -2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.422 -3.503 -3.340 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.358 -4.638 -3.239 1.00 0.00 H new ATOM 153 N GLU A 11 -0.174 3.915 -2.222 1.00 0.00 N ATOM 154 CA GLU A 11 0.743 5.009 -2.464 1.00 0.00 C ATOM 155 C GLU A 11 1.817 5.043 -1.381 1.00 0.00 C ATOM 156 O GLU A 11 3.005 4.944 -1.684 1.00 0.00 O ATOM 157 CB GLU A 11 0.001 6.354 -2.546 1.00 0.00 C ATOM 158 CG GLU A 11 0.910 7.532 -2.860 1.00 0.00 C ATOM 159 CD GLU A 11 0.142 8.827 -3.006 1.00 0.00 C ATOM 160 OE1 GLU A 11 -0.034 9.541 -1.998 1.00 0.00 O ATOM 161 OE2 GLU A 11 -0.300 9.135 -4.135 1.00 0.00 O ATOM 0 H GLU A 11 -1.106 4.193 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 11 1.225 4.844 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.771 6.287 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.505 6.539 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.650 7.639 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.457 7.331 -3.781 1.00 0.00 H new ATOM 168 N GLN A 12 1.402 5.107 -0.119 1.00 0.00 N ATOM 169 CA GLN A 12 2.336 5.326 0.974 1.00 0.00 C ATOM 170 C GLN A 12 3.223 4.111 1.218 1.00 0.00 C ATOM 171 O GLN A 12 4.357 4.260 1.678 1.00 0.00 O ATOM 172 CB GLN A 12 1.593 5.715 2.256 1.00 0.00 C ATOM 173 CG GLN A 12 0.854 7.035 2.141 1.00 0.00 C ATOM 174 CD GLN A 12 1.727 8.248 2.418 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.020 8.135 2.161 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 1.240 9.281 2.876 1.00 0.00 N flip ATOM 0 H GLN A 12 0.428 5.010 0.168 1.00 0.00 H new ATOM 0 HA GLN A 12 2.985 6.152 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.882 4.929 2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.307 5.776 3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.435 7.121 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.016 7.034 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.239 9.334 3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.838 10.085 3.069 1.00 0.00 H new ATOM 185 N CYS A 13 2.732 2.922 0.889 1.00 0.00 N ATOM 186 CA CYS A 13 3.506 1.706 1.104 1.00 0.00 C ATOM 187 C CYS A 13 4.773 1.733 0.248 1.00 0.00 C ATOM 188 O CYS A 13 5.881 1.533 0.750 1.00 0.00 O ATOM 189 CB CYS A 13 2.657 0.459 0.791 1.00 0.00 C ATOM 190 SG CYS A 13 2.247 0.243 -0.970 1.00 0.00 S ATOM 0 H CYS A 13 1.811 2.774 0.476 1.00 0.00 H new ATOM 0 HA CYS A 13 3.798 1.657 2.153 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.193 -0.425 1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.730 0.514 1.362 1.00 0.00 H new ATOM 195 N ASN A 14 4.608 2.013 -1.039 1.00 0.00 N ATOM 196 CA ASN A 14 5.748 2.112 -1.953 1.00 0.00 C ATOM 197 C ASN A 14 6.536 3.400 -1.705 1.00 0.00 C ATOM 198 O ASN A 14 7.747 3.438 -1.917 1.00 0.00 O ATOM 199 CB ASN A 14 5.286 2.033 -3.418 1.00 0.00 C ATOM 200 CG ASN A 14 6.435 2.054 -4.420 1.00 0.00 C ATOM 201 OD1 ASN A 14 7.569 1.460 -4.073 1.00 0.00 O flip ATOM 202 ND2 ASN A 14 6.296 2.594 -5.517 1.00 0.00 N flip ATOM 0 H ASN A 14 3.701 2.176 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 14 6.408 1.266 -1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.708 1.120 -3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.618 2.869 -3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.412 3.043 -5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.065 2.592 -6.187 1.00 0.00 H new ATOM 209 N VAL A 15 5.857 4.450 -1.242 1.00 0.00 N ATOM 210 CA VAL A 15 6.535 5.700 -0.914 1.00 0.00 C ATOM 211 C VAL A 15 7.520 5.484 0.227 1.00 0.00 C ATOM 212 O VAL A 15 8.634 6.004 0.199 1.00 0.00 O ATOM 213 CB VAL A 15 5.548 6.833 -0.537 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.286 8.014 0.082 1.00 0.00 C ATOM 215 CG2 VAL A 15 4.767 7.301 -1.759 1.00 0.00 C ATOM 0 H VAL A 15 4.849 4.459 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 15 7.067 6.012 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 15 4.849 6.431 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.571 8.796 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.804 7.687 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.011 8.405 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.081 8.097 -1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.460 7.676 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.201 6.466 -2.171 1.00 0.00 H new ATOM 225 N ASN A 16 7.122 4.701 1.225 1.00 0.00 N ATOM 226 CA ASN A 16 8.019 4.432 2.339 1.00 0.00 C ATOM 227 C ASN A 16 9.100 3.453 1.906 1.00 0.00 C ATOM 228 O ASN A 16 10.221 3.867 1.606 1.00 0.00 O ATOM 229 CB ASN A 16 7.262 3.861 3.550 1.00 0.00 C ATOM 230 CG ASN A 16 6.445 4.895 4.301 1.00 0.00 C ATOM 231 OD1 ASN A 16 5.985 5.919 3.607 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 6.234 4.773 5.508 1.00 0.00 N flip ATOM 0 H ASN A 16 6.208 4.253 1.285 1.00 0.00 H new ATOM 0 HA ASN A 16 8.472 5.377 2.638 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.600 3.064 3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.979 3.409 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.606 3.968 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.688 5.477 6.004 1.00 0.00 H new ATOM 239 N LYS A 17 8.742 2.167 1.834 1.00 0.00 N ATOM 240 CA LYS A 17 9.595 1.133 1.248 1.00 0.00 C ATOM 241 C LYS A 17 8.984 -0.260 1.442 1.00 0.00 C ATOM 242 O LYS A 17 9.317 -0.948 2.407 1.00 0.00 O ATOM 243 CB LYS A 17 11.021 1.161 1.825 1.00 0.00 C ATOM 244 CG LYS A 17 11.098 1.315 3.337 1.00 0.00 C ATOM 245 CD LYS A 17 12.552 1.463 3.779 1.00 0.00 C ATOM 246 CE LYS A 17 12.670 1.624 5.288 1.00 0.00 C ATOM 247 NZ LYS A 17 12.082 2.908 5.755 1.00 0.00 N ATOM 0 H LYS A 17 7.850 1.815 2.182 1.00 0.00 H new ATOM 0 HA LYS A 17 9.660 1.350 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.530 0.240 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.568 1.982 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.524 2.187 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.650 0.448 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.119 0.588 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.996 2.327 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.167 0.793 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.720 1.579 5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.315 3.052 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.471 3.692 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.049 2.879 5.640 1.00 0.00 H new ATOM 261 N VAL A 18 8.103 -0.697 0.542 1.00 0.00 N ATOM 262 CA VAL A 18 7.588 -2.066 0.608 1.00 0.00 C ATOM 263 C VAL A 18 7.360 -2.603 -0.811 1.00 0.00 C ATOM 264 O VAL A 18 7.003 -1.845 -1.719 1.00 0.00 O ATOM 265 CB VAL A 18 6.258 -2.198 1.428 1.00 0.00 C ATOM 266 CG1 VAL A 18 6.164 -1.168 2.551 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.041 -2.131 0.521 1.00 0.00 C ATOM 0 H VAL A 18 7.736 -0.136 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 18 8.343 -2.652 1.131 1.00 0.00 H new ATOM 0 HB VAL A 18 6.276 -3.181 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.225 -1.301 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.999 -1.303 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.201 -0.164 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.135 -2.226 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.031 -1.176 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.083 -2.943 -0.204 1.00 0.00 H new ATOM 277 N PRO A 19 7.603 -3.906 -1.026 1.00 0.00 N ATOM 278 CA PRO A 19 7.271 -4.581 -2.288 1.00 0.00 C ATOM 279 C PRO A 19 5.759 -4.664 -2.508 1.00 0.00 C ATOM 280 O PRO A 19 4.999 -4.653 -1.534 1.00 0.00 O ATOM 281 CB PRO A 19 7.851 -5.993 -2.119 1.00 0.00 C ATOM 282 CG PRO A 19 8.784 -5.907 -0.959 1.00 0.00 C ATOM 283 CD PRO A 19 8.246 -4.817 -0.074 1.00 0.00 C ATOM 0 HA PRO A 19 7.672 -4.045 -3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.062 -6.721 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.374 -6.312 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.831 -6.856 -0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.797 -5.677 -1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.536 -5.204 0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.040 -4.322 0.485 1.00 0.00 H new ATOM 291 N PHE A 20 5.315 -4.749 -3.760 1.00 0.00 N ATOM 292 CA PHE A 20 3.879 -4.741 -4.056 1.00 0.00 C ATOM 293 C PHE A 20 3.142 -5.841 -3.294 1.00 0.00 C ATOM 294 O PHE A 20 2.086 -5.592 -2.713 1.00 0.00 O ATOM 295 CB PHE A 20 3.600 -4.884 -5.558 1.00 0.00 C ATOM 296 CG PHE A 20 2.130 -4.818 -5.878 1.00 0.00 C ATOM 297 CD1 PHE A 20 1.380 -5.977 -6.020 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.496 -3.596 -6.016 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.027 -5.912 -6.294 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.144 -3.527 -6.293 1.00 0.00 C ATOM 301 CZ PHE A 20 -0.592 -4.687 -6.431 1.00 0.00 C ATOM 0 H PHE A 20 5.918 -4.823 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 20 3.506 -3.771 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.122 -4.095 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.004 -5.833 -5.911 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.859 -6.940 -5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.065 -2.685 -5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.546 -6.821 -6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.337 -2.566 -6.402 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.649 -4.635 -6.646 1.00 0.00 H new ATOM 311 N ASP A 21 3.710 -7.044 -3.281 1.00 0.00 N ATOM 312 CA ASP A 21 3.084 -8.186 -2.615 1.00 0.00 C ATOM 313 C ASP A 21 2.837 -7.894 -1.136 1.00 0.00 C ATOM 314 O ASP A 21 1.783 -8.228 -0.599 1.00 0.00 O ATOM 315 CB ASP A 21 3.945 -9.446 -2.770 1.00 0.00 C ATOM 316 CG ASP A 21 5.363 -9.255 -2.276 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.166 -8.624 -2.991 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.683 -9.734 -1.169 1.00 0.00 O ATOM 0 H ASP A 21 4.604 -7.255 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 21 2.121 -8.361 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.482 -10.266 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.968 -9.738 -3.820 1.00 0.00 H new ATOM 323 N GLN A 22 3.802 -7.257 -0.483 1.00 0.00 N ATOM 324 CA GLN A 22 3.637 -6.864 0.908 1.00 0.00 C ATOM 325 C GLN A 22 2.599 -5.753 1.028 1.00 0.00 C ATOM 326 O GLN A 22 1.800 -5.733 1.966 1.00 0.00 O ATOM 327 CB GLN A 22 4.966 -6.412 1.507 1.00 0.00 C ATOM 328 CG GLN A 22 4.837 -5.950 2.948 1.00 0.00 C ATOM 329 CD GLN A 22 4.273 -7.021 3.870 1.00 0.00 C ATOM 330 OE1 GLN A 22 4.546 -8.283 3.568 1.00 0.00 O flip ATOM 331 NE2 GLN A 22 3.595 -6.712 4.850 1.00 0.00 N flip ATOM 0 H GLN A 22 4.701 -7.004 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 22 3.287 -7.732 1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.680 -7.234 1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.373 -5.599 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.817 -5.643 3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.193 -5.071 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.406 -5.730 5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.222 -7.438 5.462 1.00 0.00 H new ATOM 340 N CYS A 23 2.605 -4.835 0.070 1.00 0.00 N ATOM 341 CA CYS A 23 1.614 -3.763 0.052 1.00 0.00 C ATOM 342 C CYS A 23 0.223 -4.364 -0.087 1.00 0.00 C ATOM 343 O CYS A 23 -0.715 -3.963 0.603 1.00 0.00 O ATOM 344 CB CYS A 23 1.870 -2.763 -1.087 1.00 0.00 C ATOM 345 SG CYS A 23 0.873 -1.246 -0.967 1.00 0.00 S ATOM 0 H CYS A 23 3.276 -4.809 -0.697 1.00 0.00 H new ATOM 0 HA CYS A 23 1.693 -3.215 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.926 -2.494 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.661 -3.250 -2.040 1.00 0.00 H new ATOM 350 N TYR A 24 0.107 -5.356 -0.962 1.00 0.00 N ATOM 351 CA TYR A 24 -1.141 -6.066 -1.154 1.00 0.00 C ATOM 352 C TYR A 24 -1.583 -6.706 0.153 1.00 0.00 C ATOM 353 O TYR A 24 -2.758 -6.677 0.486 1.00 0.00 O ATOM 354 CB TYR A 24 -0.995 -7.139 -2.243 1.00 0.00 C ATOM 355 CG TYR A 24 -2.315 -7.680 -2.738 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.952 -8.724 -2.083 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.917 -7.147 -3.866 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.153 -9.222 -2.541 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.121 -7.637 -4.330 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.735 -8.676 -3.665 1.00 0.00 C ATOM 361 OH TYR A 24 -5.934 -9.171 -4.125 1.00 0.00 O ATOM 0 H TYR A 24 0.872 -5.685 -1.552 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.898 -5.351 -1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.445 -6.718 -3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.398 -7.963 -1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.500 -9.153 -1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.436 -6.335 -4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.636 -10.036 -2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.579 -7.209 -5.209 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.207 -8.675 -4.925 1.00 0.00 H new ATOM 371 N GLN A 25 -0.631 -7.243 0.913 1.00 0.00 N ATOM 372 CA GLN A 25 -0.944 -7.937 2.155 1.00 0.00 C ATOM 373 C GLN A 25 -1.594 -6.986 3.157 1.00 0.00 C ATOM 374 O GLN A 25 -2.545 -7.349 3.848 1.00 0.00 O ATOM 375 CB GLN A 25 0.331 -8.541 2.771 1.00 0.00 C ATOM 376 CG GLN A 25 0.092 -9.233 4.111 1.00 0.00 C ATOM 377 CD GLN A 25 1.371 -9.720 4.763 1.00 0.00 C ATOM 378 OE1 GLN A 25 2.329 -10.095 4.085 1.00 0.00 O ATOM 379 NE2 GLN A 25 1.394 -9.721 6.088 1.00 0.00 N ATOM 0 H GLN A 25 0.363 -7.210 0.688 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.645 -8.739 1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.758 -9.260 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.069 -7.751 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.413 -8.542 4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.578 -10.079 3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.579 -9.402 6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.226 -10.040 6.583 1.00 0.00 H new ATOM 388 N MET A 26 -1.083 -5.768 3.221 1.00 0.00 N ATOM 389 CA MET A 26 -1.567 -4.791 4.183 1.00 0.00 C ATOM 390 C MET A 26 -2.835 -4.093 3.690 1.00 0.00 C ATOM 391 O MET A 26 -3.792 -3.927 4.443 1.00 0.00 O ATOM 392 CB MET A 26 -0.464 -3.764 4.471 1.00 0.00 C ATOM 393 CG MET A 26 -0.923 -2.546 5.270 1.00 0.00 C ATOM 394 SD MET A 26 0.414 -1.362 5.557 1.00 0.00 S ATOM 395 CE MET A 26 0.972 -1.026 3.885 1.00 0.00 C ATOM 0 H MET A 26 -0.332 -5.431 2.618 1.00 0.00 H new ATOM 0 HA MET A 26 -1.824 -5.316 5.103 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.341 -4.258 5.016 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.046 -3.424 3.524 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.735 -2.051 4.737 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.325 -2.875 6.228 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.476 -0.060 3.857 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.665 -1.806 3.569 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.115 -1.008 3.212 1.00 0.00 H new ATOM 405 N CYS A 27 -2.847 -3.698 2.426 1.00 0.00 N ATOM 406 CA CYS A 27 -3.949 -2.903 1.893 1.00 0.00 C ATOM 407 C CYS A 27 -5.169 -3.752 1.516 1.00 0.00 C ATOM 408 O CYS A 27 -6.279 -3.225 1.436 1.00 0.00 O ATOM 409 CB CYS A 27 -3.484 -2.096 0.676 1.00 0.00 C ATOM 410 SG CYS A 27 -1.976 -1.118 0.974 1.00 0.00 S ATOM 0 H CYS A 27 -2.112 -3.912 1.752 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.259 -2.228 2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.304 -2.779 -0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.286 -1.425 0.369 1.00 0.00 H new ATOM 415 N SER A 28 -4.983 -5.053 1.289 1.00 0.00 N ATOM 416 CA SER A 28 -6.100 -5.906 0.876 1.00 0.00 C ATOM 417 C SER A 28 -7.244 -5.944 1.908 1.00 0.00 C ATOM 418 O SER A 28 -8.393 -5.770 1.519 1.00 0.00 O ATOM 419 CB SER A 28 -5.635 -7.322 0.500 1.00 0.00 C ATOM 420 OG SER A 28 -4.791 -7.888 1.488 1.00 0.00 O ATOM 0 H SER A 28 -4.088 -5.533 1.382 1.00 0.00 H new ATOM 0 HA SER A 28 -6.510 -5.444 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.505 -7.963 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.105 -7.288 -0.452 1.00 0.00 H new ATOM 0 HG SER A 28 -3.854 -7.740 1.242 1.00 0.00 H new ATOM 426 N PRO A 29 -6.977 -6.152 3.227 1.00 0.00 N ATOM 427 CA PRO A 29 -8.036 -6.157 4.258 1.00 0.00 C ATOM 428 C PRO A 29 -8.848 -4.860 4.294 1.00 0.00 C ATOM 429 O PRO A 29 -9.965 -4.824 4.812 1.00 0.00 O ATOM 430 CB PRO A 29 -7.262 -6.327 5.566 1.00 0.00 C ATOM 431 CG PRO A 29 -6.010 -7.026 5.165 1.00 0.00 C ATOM 432 CD PRO A 29 -5.658 -6.456 3.818 1.00 0.00 C ATOM 0 HA PRO A 29 -8.769 -6.940 4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.049 -5.364 6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.829 -6.911 6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.213 -6.852 5.887 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.161 -8.104 5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.041 -5.562 3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.100 -7.169 3.212 1.00 0.00 H new ATOM 440 N LEU A 30 -8.274 -3.802 3.747 1.00 0.00 N ATOM 441 CA LEU A 30 -8.946 -2.515 3.653 1.00 0.00 C ATOM 442 C LEU A 30 -9.909 -2.550 2.472 1.00 0.00 C ATOM 443 O LEU A 30 -11.122 -2.395 2.628 1.00 0.00 O ATOM 444 CB LEU A 30 -7.895 -1.399 3.460 1.00 0.00 C ATOM 445 CG LEU A 30 -8.347 0.052 3.726 1.00 0.00 C ATOM 446 CD1 LEU A 30 -7.191 1.005 3.455 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.546 0.449 2.869 1.00 0.00 C ATOM 0 H LEU A 30 -7.332 -3.809 3.356 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.504 -2.312 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.050 -1.614 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.527 -1.455 2.435 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.652 0.114 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.512 2.029 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.356 0.760 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.876 0.909 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.827 1.478 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.283 0.365 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.385 -0.212 3.088 1.00 0.00 H new ATOM 459 N GLU A 31 -9.347 -2.783 1.298 1.00 0.00 N ATOM 460 CA GLU A 31 -10.099 -2.733 0.046 1.00 0.00 C ATOM 461 C GLU A 31 -11.118 -3.870 -0.034 1.00 0.00 C ATOM 462 O GLU A 31 -12.217 -3.692 -0.559 1.00 0.00 O ATOM 463 CB GLU A 31 -9.123 -2.778 -1.145 1.00 0.00 C ATOM 464 CG GLU A 31 -9.764 -2.561 -2.521 1.00 0.00 C ATOM 465 CD GLU A 31 -10.362 -3.826 -3.110 1.00 0.00 C ATOM 466 OE1 GLU A 31 -9.600 -4.778 -3.373 1.00 0.00 O ATOM 467 OE2 GLU A 31 -11.591 -3.866 -3.337 1.00 0.00 O ATOM 0 H GLU A 31 -8.360 -3.012 1.181 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.657 -1.798 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.356 -2.018 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.619 -3.744 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.544 -1.804 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.013 -2.169 -3.207 1.00 0.00 H new ATOM 474 N ARG A 32 -10.771 -5.025 0.508 1.00 0.00 N ATOM 475 CA ARG A 32 -11.633 -6.191 0.411 1.00 0.00 C ATOM 476 C ARG A 32 -11.636 -6.960 1.727 1.00 0.00 C ATOM 477 O ARG A 32 -10.619 -7.045 2.409 1.00 0.00 O ATOM 478 CB ARG A 32 -11.149 -7.103 -0.734 1.00 0.00 C ATOM 479 CG ARG A 32 -12.089 -8.273 -1.071 1.00 0.00 C ATOM 480 CD ARG A 32 -13.425 -7.807 -1.649 1.00 0.00 C ATOM 481 NE ARG A 32 -13.293 -6.577 -2.432 1.00 0.00 N ATOM 482 CZ ARG A 32 -14.301 -5.974 -3.057 1.00 0.00 C ATOM 483 NH1 ARG A 32 -15.516 -6.515 -3.056 1.00 0.00 N ATOM 484 NH2 ARG A 32 -14.084 -4.829 -3.690 1.00 0.00 N ATOM 0 H ARG A 32 -9.902 -5.180 1.018 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.650 -5.861 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.012 -6.496 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.171 -7.506 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.599 -8.933 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.272 -8.858 -0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.840 -8.594 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.133 -7.643 -0.836 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.367 -6.155 -2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.680 -7.399 -2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.283 -6.046 -3.538 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.151 -4.418 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.851 -4.359 -4.172 1.00 0.00 H new ATOM 498 N SER A 33 -12.782 -7.508 2.088 1.00 0.00 N ATOM 499 CA SER A 33 -12.879 -8.334 3.279 1.00 0.00 C ATOM 500 C SER A 33 -12.740 -9.808 2.906 1.00 0.00 C ATOM 501 CB SER A 33 -14.207 -8.061 3.996 1.00 0.00 C ATOM 502 OG SER A 33 -15.241 -7.801 3.058 1.00 0.00 O ATOM 0 H SER A 33 -13.657 -7.397 1.575 1.00 0.00 H new ATOM 0 HA SER A 33 -12.068 -8.083 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.476 -8.919 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.095 -7.209 4.667 1.00 0.00 H new ATOM 0 HG SER A 33 -16.080 -7.631 3.535 1.00 0.00 H new TER 508 SER A 33