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 22 GLN : amide:sc= -0.0344 K(o=-0.037,f=-0.86) USER MOD Set 1.2: A 25 GLN : amide:sc=-0.00239 K(o=-0.037,f=-0.58) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 160:sc= -1.56! USER MOD Single : A 4 GLN :FLIP amide:sc= -0.0274 F(o=-1.2,f=-0.027) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.164 F(o=-1.2,f=-0.16) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= -0.0151 (180deg=-0.155) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -41:sc= 0.00515 USER MOD Single : A 12 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.17) USER MOD Single : A 14 ASN : amide:sc= -0.0885 X(o=-0.088,f=-0.3) USER MOD Single : A 16 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 157:sc= -0.191 (180deg=-0.919) USER MOD Single : A 28 SER OG : rot -86:sc= -2.46! USER MOD Single : A 33 SER OG : rot 7:sc= 0.0994 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.977 -0.342 -1.734 1.00 0.00 N ATOM 2 CA ALA A 1 -14.944 0.052 -0.310 1.00 0.00 C ATOM 3 C ALA A 1 -14.523 1.507 -0.159 1.00 0.00 C ATOM 4 O ALA A 1 -15.200 2.292 0.503 1.00 0.00 O ATOM 5 CB ALA A 1 -14.001 -0.851 0.468 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.267 -1.338 -1.812 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.657 0.257 -2.244 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.031 -0.223 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.950 -0.057 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.988 -0.548 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.342 -1.884 0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.996 -0.770 0.054 1.00 0.00 H new ATOM 10 N SER A 2 -13.409 1.860 -0.786 1.00 0.00 N ATOM 11 CA SER A 2 -12.870 3.212 -0.702 1.00 0.00 C ATOM 12 C SER A 2 -11.697 3.344 -1.674 1.00 0.00 C ATOM 13 O SER A 2 -10.540 3.361 -1.256 1.00 0.00 O ATOM 14 CB SER A 2 -12.403 3.511 0.733 1.00 0.00 C ATOM 15 OG SER A 2 -12.072 4.881 0.888 1.00 0.00 O ATOM 0 H SER A 2 -12.857 1.224 -1.362 1.00 0.00 H new ATOM 0 HA SER A 2 -13.647 3.929 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.190 3.242 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.536 2.895 0.972 1.00 0.00 H new ATOM 0 HG SER A 2 -12.091 5.117 1.839 1.00 0.00 H new ATOM 21 N PRO A 3 -11.982 3.411 -2.992 1.00 0.00 N ATOM 22 CA PRO A 3 -10.945 3.438 -4.038 1.00 0.00 C ATOM 23 C PRO A 3 -9.837 4.461 -3.787 1.00 0.00 C ATOM 24 O PRO A 3 -8.657 4.163 -3.982 1.00 0.00 O ATOM 25 CB PRO A 3 -11.729 3.797 -5.299 1.00 0.00 C ATOM 26 CG PRO A 3 -13.078 3.228 -5.057 1.00 0.00 C ATOM 27 CD PRO A 3 -13.343 3.446 -3.581 1.00 0.00 C ATOM 0 HA PRO A 3 -10.416 2.486 -4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.772 4.876 -5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.269 3.369 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.830 3.725 -5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.110 2.168 -5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.839 4.399 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.983 2.667 -3.166 1.00 0.00 H new ATOM 35 N GLN A 4 -10.213 5.648 -3.331 1.00 0.00 N ATOM 36 CA GLN A 4 -9.251 6.731 -3.146 1.00 0.00 C ATOM 37 C GLN A 4 -8.365 6.487 -1.930 1.00 0.00 C ATOM 38 O GLN A 4 -7.142 6.638 -2.005 1.00 0.00 O ATOM 39 CB GLN A 4 -9.966 8.082 -3.024 1.00 0.00 C ATOM 40 CG GLN A 4 -10.594 8.565 -4.333 1.00 0.00 C ATOM 41 CD GLN A 4 -11.426 9.823 -4.164 1.00 0.00 C ATOM 42 OE1 GLN A 4 -12.078 9.964 -3.021 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -11.496 10.656 -5.068 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.173 5.887 -3.083 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.612 6.755 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.744 8.004 -2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.254 8.830 -2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.804 8.754 -5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.222 7.773 -4.742 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.979 10.512 -5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.071 11.490 -4.950 1.00 0.00 H new ATOM 52 N GLN A 5 -8.973 6.098 -0.819 1.00 0.00 N ATOM 53 CA GLN A 5 -8.212 5.814 0.396 1.00 0.00 C ATOM 54 C GLN A 5 -7.367 4.561 0.221 1.00 0.00 C ATOM 55 O GLN A 5 -6.262 4.464 0.757 1.00 0.00 O ATOM 56 CB GLN A 5 -9.128 5.665 1.610 1.00 0.00 C ATOM 57 CG GLN A 5 -9.632 6.995 2.164 1.00 0.00 C ATOM 58 CD GLN A 5 -8.522 7.835 2.775 1.00 0.00 C ATOM 59 OE1 GLN A 5 -7.524 7.188 3.359 1.00 0.00 O flip ATOM 60 NE2 GLN A 5 -8.568 9.065 2.733 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.981 5.972 -0.730 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.552 6.663 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.984 5.048 1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.591 5.134 2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.110 7.559 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.395 6.804 2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.351 9.531 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.823 9.618 3.156 1.00 0.00 H new ATOM 69 N ALA A 6 -7.887 3.609 -0.536 1.00 0.00 N ATOM 70 CA ALA A 6 -7.145 2.399 -0.850 1.00 0.00 C ATOM 71 C ALA A 6 -5.916 2.730 -1.684 1.00 0.00 C ATOM 72 O ALA A 6 -4.835 2.192 -1.451 1.00 0.00 O ATOM 73 CB ALA A 6 -8.024 1.394 -1.578 1.00 0.00 C ATOM 0 H ALA A 6 -8.821 3.651 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.820 1.949 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.444 0.498 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.873 1.129 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.385 1.833 -2.508 1.00 0.00 H new ATOM 79 N LYS A 7 -6.079 3.641 -2.639 1.00 0.00 N ATOM 80 CA LYS A 7 -4.966 4.052 -3.484 1.00 0.00 C ATOM 81 C LYS A 7 -3.896 4.734 -2.636 1.00 0.00 C ATOM 82 O LYS A 7 -2.702 4.572 -2.878 1.00 0.00 O ATOM 83 CB LYS A 7 -5.440 4.987 -4.604 1.00 0.00 C ATOM 84 CG LYS A 7 -4.346 5.339 -5.602 1.00 0.00 C ATOM 85 CD LYS A 7 -3.809 4.088 -6.304 1.00 0.00 C ATOM 86 CE LYS A 7 -2.677 4.420 -7.277 1.00 0.00 C ATOM 87 NZ LYS A 7 -3.092 5.415 -8.301 1.00 0.00 N ATOM 0 H LYS A 7 -6.964 4.105 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.539 3.164 -3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.267 4.516 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.827 5.905 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.738 6.035 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.531 5.848 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.450 3.379 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.620 3.599 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.824 4.808 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.346 3.507 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.366 5.472 -9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.997 5.123 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.204 6.347 -7.854 1.00 0.00 H new ATOM 101 N TYR A 8 -4.338 5.475 -1.625 1.00 0.00 N ATOM 102 CA TYR A 8 -3.428 6.130 -0.695 1.00 0.00 C ATOM 103 C TYR A 8 -2.639 5.088 0.091 1.00 0.00 C ATOM 104 O TYR A 8 -1.428 5.219 0.274 1.00 0.00 O ATOM 105 CB TYR A 8 -4.209 7.040 0.260 1.00 0.00 C ATOM 106 CG TYR A 8 -3.336 7.839 1.199 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.611 8.928 0.739 1.00 0.00 C ATOM 108 CD2 TYR A 8 -3.247 7.511 2.547 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.821 9.671 1.592 1.00 0.00 C ATOM 110 CE2 TYR A 8 -2.458 8.248 3.407 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.747 9.327 2.926 1.00 0.00 C ATOM 112 OH TYR A 8 -0.964 10.069 3.780 1.00 0.00 O ATOM 0 H TYR A 8 -5.326 5.637 -1.429 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.727 6.742 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.818 7.728 -0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.894 6.430 0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.666 9.199 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.803 6.667 2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.264 10.517 1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.398 7.981 4.452 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.022 9.696 4.684 1.00 0.00 H new ATOM 122 N CYS A 9 -3.338 4.049 0.533 1.00 0.00 N ATOM 123 CA CYS A 9 -2.729 2.953 1.285 1.00 0.00 C ATOM 124 C CYS A 9 -1.581 2.328 0.496 1.00 0.00 C ATOM 125 O CYS A 9 -0.473 2.168 1.011 1.00 0.00 O ATOM 126 CB CYS A 9 -3.791 1.891 1.605 1.00 0.00 C ATOM 127 SG CYS A 9 -3.192 0.464 2.560 1.00 0.00 S ATOM 0 H CYS A 9 -4.341 3.941 0.382 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.326 3.351 2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.601 2.365 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.215 1.529 0.668 1.00 0.00 H new ATOM 132 N TYR A 10 -1.847 2.001 -0.762 1.00 0.00 N ATOM 133 CA TYR A 10 -0.846 1.383 -1.620 1.00 0.00 C ATOM 134 C TYR A 10 0.255 2.371 -1.999 1.00 0.00 C ATOM 135 O TYR A 10 1.425 1.994 -2.107 1.00 0.00 O ATOM 136 CB TYR A 10 -1.504 0.806 -2.878 1.00 0.00 C ATOM 137 CG TYR A 10 -2.370 -0.398 -2.600 1.00 0.00 C ATOM 138 CD1 TYR A 10 -1.791 -1.613 -2.283 1.00 0.00 C ATOM 139 CD2 TYR A 10 -3.758 -0.330 -2.665 1.00 0.00 C ATOM 140 CE1 TYR A 10 -2.558 -2.725 -2.040 1.00 0.00 C ATOM 141 CE2 TYR A 10 -4.534 -1.443 -2.418 1.00 0.00 C ATOM 142 CZ TYR A 10 -3.930 -2.640 -2.107 1.00 0.00 C ATOM 143 OH TYR A 10 -4.699 -3.757 -1.871 1.00 0.00 O ATOM 0 H TYR A 10 -2.750 2.154 -1.211 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.383 0.571 -1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.110 1.579 -3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.728 0.530 -3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.715 -1.688 -2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.234 0.607 -2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.086 -3.665 -1.797 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.611 -1.376 -2.468 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.283 -4.536 -2.295 1.00 0.00 H new ATOM 153 N GLU A 11 -0.120 3.632 -2.185 1.00 0.00 N ATOM 154 CA GLU A 11 0.834 4.671 -2.550 1.00 0.00 C ATOM 155 C GLU A 11 1.851 4.901 -1.432 1.00 0.00 C ATOM 156 O GLU A 11 3.047 5.026 -1.691 1.00 0.00 O ATOM 157 CB GLU A 11 0.097 5.979 -2.886 1.00 0.00 C ATOM 158 CG GLU A 11 1.013 7.127 -3.274 1.00 0.00 C ATOM 159 CD GLU A 11 0.241 8.386 -3.607 1.00 0.00 C ATOM 160 OE1 GLU A 11 -0.318 9.010 -2.681 1.00 0.00 O ATOM 161 OE2 GLU A 11 0.194 8.763 -4.799 1.00 0.00 O ATOM 0 H GLU A 11 -1.081 3.959 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 11 1.377 4.338 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.599 5.791 -3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.498 6.279 -2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.703 7.332 -2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.616 6.834 -4.134 1.00 0.00 H new ATOM 168 N GLN A 12 1.386 4.926 -0.185 1.00 0.00 N ATOM 169 CA GLN A 12 2.273 5.196 0.938 1.00 0.00 C ATOM 170 C GLN A 12 3.214 4.023 1.184 1.00 0.00 C ATOM 171 O GLN A 12 4.264 4.185 1.808 1.00 0.00 O ATOM 172 CB GLN A 12 1.482 5.514 2.206 1.00 0.00 C ATOM 173 CG GLN A 12 0.612 6.743 2.080 1.00 0.00 C ATOM 174 CD GLN A 12 1.397 7.990 1.731 1.00 0.00 C ATOM 175 OE1 GLN A 12 1.898 8.697 2.608 1.00 0.00 O ATOM 176 NE2 GLN A 12 1.492 8.278 0.446 1.00 0.00 N ATOM 0 H GLN A 12 0.411 4.764 0.069 1.00 0.00 H new ATOM 0 HA GLN A 12 2.869 6.071 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.855 4.659 2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.178 5.654 3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.144 6.570 1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.083 6.904 3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.062 7.665 -0.247 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.995 9.113 0.146 1.00 0.00 H new ATOM 185 N CYS A 13 2.844 2.849 0.682 1.00 0.00 N ATOM 186 CA CYS A 13 3.694 1.676 0.813 1.00 0.00 C ATOM 187 C CYS A 13 5.050 1.905 0.142 1.00 0.00 C ATOM 188 O CYS A 13 6.090 1.813 0.794 1.00 0.00 O ATOM 189 CB CYS A 13 3.013 0.417 0.248 1.00 0.00 C ATOM 190 SG CYS A 13 1.797 -0.347 1.374 1.00 0.00 S ATOM 0 H CYS A 13 1.968 2.687 0.185 1.00 0.00 H new ATOM 0 HA CYS A 13 3.861 1.512 1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.514 0.676 -0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.780 -0.319 0.006 1.00 0.00 H new ATOM 195 N ASN A 14 5.049 2.245 -1.141 1.00 0.00 N ATOM 196 CA ASN A 14 6.304 2.443 -1.859 1.00 0.00 C ATOM 197 C ASN A 14 6.990 3.727 -1.405 1.00 0.00 C ATOM 198 O ASN A 14 8.213 3.837 -1.464 1.00 0.00 O ATOM 199 CB ASN A 14 6.076 2.457 -3.376 1.00 0.00 C ATOM 200 CG ASN A 14 5.082 3.523 -3.819 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.889 3.250 -3.937 1.00 0.00 O ATOM 202 ND2 ASN A 14 5.550 4.743 -4.063 1.00 0.00 N ATOM 0 H ASN A 14 4.208 2.388 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 14 6.959 1.604 -1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.028 2.624 -3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.716 1.478 -3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.914 5.484 -4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.545 4.938 -3.956 1.00 0.00 H new ATOM 209 N VAL A 15 6.196 4.693 -0.954 1.00 0.00 N ATOM 210 CA VAL A 15 6.730 5.940 -0.418 1.00 0.00 C ATOM 211 C VAL A 15 7.653 5.667 0.770 1.00 0.00 C ATOM 212 O VAL A 15 8.707 6.291 0.902 1.00 0.00 O ATOM 213 CB VAL A 15 5.598 6.910 0.001 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.144 8.077 0.817 1.00 0.00 C ATOM 215 CG2 VAL A 15 4.864 7.434 -1.231 1.00 0.00 C ATOM 0 H VAL A 15 5.178 4.636 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 15 7.306 6.415 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 15 4.898 6.355 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.325 8.740 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.626 7.697 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.871 8.629 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.071 8.114 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.566 7.964 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.430 6.598 -1.779 1.00 0.00 H new ATOM 225 N ASN A 16 7.275 4.720 1.623 1.00 0.00 N ATOM 226 CA ASN A 16 8.128 4.369 2.754 1.00 0.00 C ATOM 227 C ASN A 16 9.155 3.321 2.340 1.00 0.00 C ATOM 228 O ASN A 16 10.323 3.652 2.121 1.00 0.00 O ATOM 229 CB ASN A 16 7.298 3.853 3.936 1.00 0.00 C ATOM 230 CG ASN A 16 6.523 4.960 4.633 1.00 0.00 C ATOM 231 OD1 ASN A 16 7.030 5.584 5.566 1.00 0.00 O ATOM 232 ND2 ASN A 16 5.300 5.220 4.195 1.00 0.00 N ATOM 0 H ASN A 16 6.405 4.192 1.557 1.00 0.00 H new ATOM 0 HA ASN A 16 8.649 5.272 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.601 3.094 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.958 3.368 4.655 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.747 5.957 4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.911 4.683 3.420 1.00 0.00 H new ATOM 239 N LYS A 17 8.706 2.071 2.209 1.00 0.00 N ATOM 240 CA LYS A 17 9.513 0.994 1.643 1.00 0.00 C ATOM 241 C LYS A 17 8.760 -0.335 1.738 1.00 0.00 C ATOM 242 O LYS A 17 8.930 -1.077 2.710 1.00 0.00 O ATOM 243 CB LYS A 17 10.863 0.864 2.355 1.00 0.00 C ATOM 244 CG LYS A 17 11.793 -0.139 1.686 1.00 0.00 C ATOM 245 CD LYS A 17 13.192 -0.092 2.293 1.00 0.00 C ATOM 246 CE LYS A 17 14.088 -1.154 1.676 1.00 0.00 C ATOM 247 NZ LYS A 17 15.475 -1.092 2.198 1.00 0.00 N ATOM 0 H LYS A 17 7.771 1.779 2.494 1.00 0.00 H new ATOM 0 HA LYS A 17 9.700 1.240 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.349 1.839 2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.695 0.562 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.383 -1.144 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.851 0.072 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.628 0.894 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.130 -0.244 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.670 -2.140 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.104 -1.029 0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.048 -1.834 1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.885 -0.161 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.465 -1.238 3.228 1.00 0.00 H new ATOM 261 N VAL A 18 7.914 -0.631 0.757 1.00 0.00 N ATOM 262 CA VAL A 18 7.241 -1.928 0.689 1.00 0.00 C ATOM 263 C VAL A 18 6.722 -2.173 -0.732 1.00 0.00 C ATOM 264 O VAL A 18 6.068 -1.308 -1.317 1.00 0.00 O ATOM 265 CB VAL A 18 6.088 -2.078 1.745 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.685 -0.740 2.340 1.00 0.00 C ATOM 267 CG2 VAL A 18 4.872 -2.762 1.136 1.00 0.00 C ATOM 0 H VAL A 18 7.677 0.007 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 18 7.980 -2.689 0.940 1.00 0.00 H new ATOM 0 HB VAL A 18 6.478 -2.701 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.885 -0.890 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.544 -0.289 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.336 -0.079 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.090 -2.852 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.503 -2.170 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.152 -3.754 0.783 1.00 0.00 H new ATOM 277 N PRO A 19 7.074 -3.331 -1.321 1.00 0.00 N ATOM 278 CA PRO A 19 6.601 -3.736 -2.656 1.00 0.00 C ATOM 279 C PRO A 19 5.078 -3.883 -2.728 1.00 0.00 C ATOM 280 O PRO A 19 4.439 -4.156 -1.713 1.00 0.00 O ATOM 281 CB PRO A 19 7.264 -5.102 -2.882 1.00 0.00 C ATOM 282 CG PRO A 19 8.405 -5.150 -1.927 1.00 0.00 C ATOM 283 CD PRO A 19 7.990 -4.324 -0.740 1.00 0.00 C ATOM 0 HA PRO A 19 6.855 -2.987 -3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.562 -5.915 -2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.608 -5.206 -3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.623 -6.176 -1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.311 -4.751 -2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.496 -4.931 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.846 -3.849 -0.261 1.00 0.00 H new ATOM 291 N PHE A 20 4.503 -3.719 -3.916 1.00 0.00 N ATOM 292 CA PHE A 20 3.046 -3.765 -4.081 1.00 0.00 C ATOM 293 C PHE A 20 2.452 -5.065 -3.530 1.00 0.00 C ATOM 294 O PHE A 20 1.466 -5.032 -2.792 1.00 0.00 O ATOM 295 CB PHE A 20 2.652 -3.595 -5.554 1.00 0.00 C ATOM 296 CG PHE A 20 1.177 -3.374 -5.752 1.00 0.00 C ATOM 297 CD1 PHE A 20 0.318 -4.443 -5.957 1.00 0.00 C ATOM 298 CD2 PHE A 20 0.652 -2.093 -5.730 1.00 0.00 C ATOM 299 CE1 PHE A 20 -1.037 -4.236 -6.136 1.00 0.00 C ATOM 300 CE2 PHE A 20 -0.702 -1.880 -5.908 1.00 0.00 C ATOM 301 CZ PHE A 20 -1.547 -2.952 -6.111 1.00 0.00 C ATOM 0 H PHE A 20 5.019 -3.553 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 20 2.636 -2.934 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.199 -2.751 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.958 -4.481 -6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.712 -5.448 -5.977 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.308 -1.250 -5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.696 -5.077 -6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.098 -0.876 -5.888 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.605 -2.788 -6.250 1.00 0.00 H new ATOM 311 N ASP A 21 3.061 -6.202 -3.867 1.00 0.00 N ATOM 312 CA ASP A 21 2.545 -7.503 -3.432 1.00 0.00 C ATOM 313 C ASP A 21 2.544 -7.600 -1.911 1.00 0.00 C ATOM 314 O ASP A 21 1.604 -8.122 -1.311 1.00 0.00 O ATOM 315 CB ASP A 21 3.355 -8.664 -4.034 1.00 0.00 C ATOM 316 CG ASP A 21 4.784 -8.744 -3.521 1.00 0.00 C ATOM 317 OD1 ASP A 21 5.012 -9.382 -2.470 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.689 -8.181 -4.175 1.00 0.00 O ATOM 0 H ASP A 21 3.906 -6.251 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 21 1.520 -7.584 -3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.846 -9.603 -3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.373 -8.558 -5.119 1.00 0.00 H new ATOM 323 N GLN A 22 3.594 -7.084 -1.292 1.00 0.00 N ATOM 324 CA GLN A 22 3.686 -7.045 0.156 1.00 0.00 C ATOM 325 C GLN A 22 2.686 -6.037 0.725 1.00 0.00 C ATOM 326 O GLN A 22 2.133 -6.237 1.807 1.00 0.00 O ATOM 327 CB GLN A 22 5.111 -6.693 0.580 1.00 0.00 C ATOM 328 CG GLN A 22 5.304 -6.683 2.082 1.00 0.00 C ATOM 329 CD GLN A 22 5.161 -8.060 2.693 1.00 0.00 C ATOM 330 OE1 GLN A 22 5.457 -9.069 2.050 1.00 0.00 O ATOM 331 NE2 GLN A 22 4.704 -8.114 3.933 1.00 0.00 N ATOM 0 H GLN A 22 4.399 -6.684 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 22 3.440 -8.030 0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.802 -7.410 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.370 -5.712 0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.292 -6.286 2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.575 -6.011 2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.471 -7.253 4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.584 -9.016 4.394 1.00 0.00 H new ATOM 340 N CYS A 23 2.444 -4.959 -0.015 1.00 0.00 N ATOM 341 CA CYS A 23 1.436 -3.977 0.387 1.00 0.00 C ATOM 342 C CYS A 23 0.060 -4.627 0.362 1.00 0.00 C ATOM 343 O CYS A 23 -0.761 -4.384 1.238 1.00 0.00 O ATOM 344 CB CYS A 23 1.452 -2.735 -0.519 1.00 0.00 C ATOM 345 SG CYS A 23 0.504 -1.317 0.139 1.00 0.00 S ATOM 0 H CYS A 23 2.925 -4.742 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 23 1.671 -3.644 1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.486 -2.426 -0.675 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.049 -3.006 -1.495 1.00 0.00 H new ATOM 350 N TYR A 24 -0.173 -5.475 -0.637 1.00 0.00 N ATOM 351 CA TYR A 24 -1.407 -6.247 -0.719 1.00 0.00 C ATOM 352 C TYR A 24 -1.563 -7.124 0.516 1.00 0.00 C ATOM 353 O TYR A 24 -2.667 -7.328 1.000 1.00 0.00 O ATOM 354 CB TYR A 24 -1.424 -7.119 -1.982 1.00 0.00 C ATOM 355 CG TYR A 24 -2.787 -7.689 -2.292 1.00 0.00 C ATOM 356 CD1 TYR A 24 -3.651 -7.027 -3.151 1.00 0.00 C ATOM 357 CD2 TYR A 24 -3.213 -8.882 -1.722 1.00 0.00 C ATOM 358 CE1 TYR A 24 -4.901 -7.539 -3.436 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.460 -9.399 -2.000 1.00 0.00 C ATOM 360 CZ TYR A 24 -5.302 -8.725 -2.858 1.00 0.00 C ATOM 361 OH TYR A 24 -6.546 -9.242 -3.143 1.00 0.00 O ATOM 0 H TYR A 24 0.480 -5.644 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.241 -5.547 -0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.084 -6.525 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.714 -7.937 -1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.341 -6.097 -3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.556 -9.413 -1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.562 -7.013 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.776 -10.328 -1.548 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.671 -10.082 -2.655 1.00 0.00 H new ATOM 371 N GLN A 25 -0.451 -7.616 1.039 1.00 0.00 N ATOM 372 CA GLN A 25 -0.483 -8.493 2.194 1.00 0.00 C ATOM 373 C GLN A 25 -1.015 -7.742 3.414 1.00 0.00 C ATOM 374 O GLN A 25 -1.824 -8.269 4.176 1.00 0.00 O ATOM 375 CB GLN A 25 0.923 -9.050 2.476 1.00 0.00 C ATOM 376 CG GLN A 25 0.993 -9.957 3.698 1.00 0.00 C ATOM 377 CD GLN A 25 2.387 -10.490 3.957 1.00 0.00 C ATOM 378 OE1 GLN A 25 3.169 -10.700 3.032 1.00 0.00 O ATOM 379 NE2 GLN A 25 2.712 -10.707 5.222 1.00 0.00 N ATOM 0 H GLN A 25 0.484 -7.422 0.681 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.152 -9.328 1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.265 -9.606 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.612 -8.217 2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.652 -9.405 4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.309 -10.794 3.562 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.035 -10.520 5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.639 -11.061 5.457 1.00 0.00 H new ATOM 388 N MET A 26 -0.580 -6.498 3.574 1.00 0.00 N ATOM 389 CA MET A 26 -0.976 -5.691 4.723 1.00 0.00 C ATOM 390 C MET A 26 -2.272 -4.914 4.464 1.00 0.00 C ATOM 391 O MET A 26 -3.107 -4.782 5.357 1.00 0.00 O ATOM 392 CB MET A 26 0.155 -4.719 5.084 1.00 0.00 C ATOM 393 CG MET A 26 -0.206 -3.704 6.165 1.00 0.00 C ATOM 394 SD MET A 26 1.109 -2.499 6.457 1.00 0.00 S ATOM 395 CE MET A 26 1.302 -1.765 4.831 1.00 0.00 C ATOM 0 H MET A 26 0.047 -6.026 2.923 1.00 0.00 H new ATOM 0 HA MET A 26 -1.164 -6.369 5.556 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.019 -5.294 5.417 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.457 -4.182 4.185 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.116 -3.179 5.875 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.424 -4.231 7.094 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.748 -0.775 4.929 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.949 -2.396 4.222 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.326 -1.677 4.353 1.00 0.00 H new ATOM 405 N CYS A 27 -2.442 -4.409 3.249 1.00 0.00 N ATOM 406 CA CYS A 27 -3.583 -3.542 2.938 1.00 0.00 C ATOM 407 C CYS A 27 -4.796 -4.347 2.460 1.00 0.00 C ATOM 408 O CYS A 27 -5.850 -3.775 2.177 1.00 0.00 O ATOM 409 CB CYS A 27 -3.209 -2.493 1.873 1.00 0.00 C ATOM 410 SG CYS A 27 -4.328 -1.056 1.841 1.00 0.00 S ATOM 0 H CYS A 27 -1.813 -4.580 2.465 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.851 -3.032 3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.192 -2.147 2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.212 -2.967 0.891 1.00 0.00 H new ATOM 415 N SER A 28 -4.653 -5.668 2.372 1.00 0.00 N ATOM 416 CA SER A 28 -5.760 -6.527 1.946 1.00 0.00 C ATOM 417 C SER A 28 -7.030 -6.362 2.810 1.00 0.00 C ATOM 418 O SER A 28 -8.135 -6.350 2.262 1.00 0.00 O ATOM 419 CB SER A 28 -5.318 -7.998 1.877 1.00 0.00 C ATOM 420 OG SER A 28 -4.597 -8.387 3.035 1.00 0.00 O ATOM 0 H SER A 28 -3.789 -6.165 2.588 1.00 0.00 H new ATOM 0 HA SER A 28 -6.035 -6.199 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.195 -8.636 1.763 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.697 -8.150 0.994 1.00 0.00 H new ATOM 0 HG SER A 28 -3.650 -8.161 2.922 1.00 0.00 H new ATOM 426 N PRO A 29 -6.922 -6.244 4.162 1.00 0.00 N ATOM 427 CA PRO A 29 -8.085 -5.956 5.022 1.00 0.00 C ATOM 428 C PRO A 29 -8.847 -4.692 4.614 1.00 0.00 C ATOM 429 O PRO A 29 -10.021 -4.530 4.945 1.00 0.00 O ATOM 430 CB PRO A 29 -7.465 -5.768 6.407 1.00 0.00 C ATOM 431 CG PRO A 29 -6.234 -6.602 6.370 1.00 0.00 C ATOM 432 CD PRO A 29 -5.702 -6.459 4.970 1.00 0.00 C ATOM 0 HA PRO A 29 -8.824 -6.755 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.231 -4.721 6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.144 -6.094 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.505 -6.261 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.457 -7.643 6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.011 -5.620 4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.161 -7.350 4.652 1.00 0.00 H new ATOM 440 N LEU A 30 -8.180 -3.800 3.897 1.00 0.00 N ATOM 441 CA LEU A 30 -8.793 -2.549 3.475 1.00 0.00 C ATOM 442 C LEU A 30 -9.456 -2.727 2.113 1.00 0.00 C ATOM 443 O LEU A 30 -10.682 -2.730 2.001 1.00 0.00 O ATOM 444 CB LEU A 30 -7.737 -1.431 3.404 1.00 0.00 C ATOM 445 CG LEU A 30 -8.255 0.015 3.550 1.00 0.00 C ATOM 446 CD1 LEU A 30 -7.105 0.997 3.400 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.343 0.336 2.529 1.00 0.00 C ATOM 0 H LEU A 30 -7.213 -3.919 3.595 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.551 -2.267 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.998 -1.609 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.217 -1.513 2.449 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.693 0.108 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.480 2.015 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.359 0.804 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.650 0.877 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.680 1.364 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.943 0.217 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.184 -0.343 2.668 1.00 0.00 H new ATOM 459 N GLU A 31 -8.636 -2.886 1.089 1.00 0.00 N ATOM 460 CA GLU A 31 -9.131 -2.927 -0.283 1.00 0.00 C ATOM 461 C GLU A 31 -9.756 -4.281 -0.598 1.00 0.00 C ATOM 462 O GLU A 31 -10.980 -4.406 -0.681 1.00 0.00 O ATOM 463 CB GLU A 31 -7.994 -2.621 -1.267 1.00 0.00 C ATOM 464 CG GLU A 31 -8.413 -2.664 -2.737 1.00 0.00 C ATOM 465 CD GLU A 31 -9.459 -1.629 -3.108 1.00 0.00 C ATOM 466 OE1 GLU A 31 -9.097 -0.595 -3.709 1.00 0.00 O ATOM 467 OE2 GLU A 31 -10.656 -1.861 -2.838 1.00 0.00 O ATOM 0 H GLU A 31 -7.625 -2.989 1.177 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.903 -2.165 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.591 -1.633 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.188 -3.338 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.531 -2.515 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.801 -3.657 -2.965 1.00 0.00 H new ATOM 474 N ARG A 32 -8.919 -5.299 -0.729 1.00 0.00 N ATOM 475 CA ARG A 32 -9.380 -6.628 -1.113 1.00 0.00 C ATOM 476 C ARG A 32 -8.441 -7.698 -0.590 1.00 0.00 C ATOM 477 O ARG A 32 -7.223 -7.532 -0.610 1.00 0.00 O ATOM 478 CB ARG A 32 -9.476 -6.759 -2.647 1.00 0.00 C ATOM 479 CG ARG A 32 -10.696 -6.082 -3.293 1.00 0.00 C ATOM 480 CD ARG A 32 -12.003 -6.799 -2.964 1.00 0.00 C ATOM 481 NE ARG A 32 -11.858 -8.253 -3.012 1.00 0.00 N ATOM 482 CZ ARG A 32 -12.642 -9.100 -2.349 1.00 0.00 C ATOM 483 NH1 ARG A 32 -13.628 -8.644 -1.590 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.434 -10.406 -2.445 1.00 0.00 N ATOM 0 H ARG A 32 -7.913 -5.231 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.369 -6.765 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.573 -6.337 -3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.492 -7.818 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.757 -5.048 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.562 -6.054 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.340 -6.501 -1.971 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.774 -6.488 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.111 -8.642 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.789 -7.640 -1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.226 -9.297 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.674 -10.760 -3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.034 -11.057 -1.938 1.00 0.00 H new ATOM 498 N SER A 33 -9.015 -8.791 -0.124 1.00 0.00 N ATOM 499 CA SER A 33 -8.236 -9.938 0.305 1.00 0.00 C ATOM 500 C SER A 33 -8.455 -11.089 -0.671 1.00 0.00 C ATOM 501 CB SER A 33 -8.628 -10.352 1.730 1.00 0.00 C ATOM 502 OG SER A 33 -8.569 -9.243 2.616 1.00 0.00 O ATOM 0 H SER A 33 -10.024 -8.909 -0.032 1.00 0.00 H new ATOM 0 HA SER A 33 -7.179 -9.673 0.313 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.636 -10.767 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.960 -11.139 2.081 1.00 0.00 H new ATOM 0 HG SER A 33 -8.401 -8.424 2.104 1.00 0.00 H new TER 508 SER A 33