USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 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 4 ASN :FLIP amide:sc= 0.498 F(o=-3.2!,f=0.5) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.58! C(o=-3.6!,f=-3.5!) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.103) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.02 (180deg=-0.272) USER MOD Single : A 23 THR OG1 : rot -100:sc= 0.681 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.13) USER MOD Single : A 30 GLN : amide:sc= -1.04 K(o=-1,f=-3.8!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0544) USER MOD Single : A 35 GLN : amide:sc= -0.0898 X(o=-0.09,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 50 N ASN A 4 0.215 -9.066 -9.869 1.00 0.00 N ATOM 51 CA ASN A 4 0.044 -10.289 -9.088 1.00 0.00 C ATOM 52 C ASN A 4 -0.556 -9.979 -7.715 1.00 0.00 C ATOM 53 O ASN A 4 -1.220 -8.956 -7.536 1.00 0.00 O ATOM 54 CB ASN A 4 1.392 -11.008 -8.932 1.00 0.00 C ATOM 55 CG ASN A 4 2.423 -10.084 -8.288 1.00 0.00 C ATOM 56 OD1 ASN A 4 2.545 -10.058 -6.990 1.00 0.00 O flip ATOM 57 ND2 ASN A 4 3.140 -9.371 -8.988 1.00 0.00 N flip ATOM 0 HA ASN A 4 -0.646 -10.944 -9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.265 -11.902 -8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.750 -11.337 -9.908 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.044 -9.392 -10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 4 3.831 -8.759 -8.553 1.00 0.00 H new ATOM 64 N ALA A 5 -0.327 -10.874 -6.753 1.00 0.00 N ATOM 65 CA ALA A 5 -0.854 -10.700 -5.400 1.00 0.00 C ATOM 66 C ALA A 5 -0.403 -9.373 -4.791 1.00 0.00 C ATOM 67 O ALA A 5 -0.907 -8.960 -3.747 1.00 0.00 O ATOM 68 CB ALA A 5 -0.386 -11.855 -4.511 1.00 0.00 C ATOM 0 H ALA A 5 0.219 -11.725 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.942 -10.694 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.781 -11.722 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.747 -12.799 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.703 -11.868 -4.475 1.00 0.00 H new ATOM 74 N LYS A 6 0.545 -8.708 -5.448 1.00 0.00 N ATOM 75 CA LYS A 6 1.047 -7.430 -4.956 1.00 0.00 C ATOM 76 C LYS A 6 -0.036 -6.361 -5.066 1.00 0.00 C ATOM 77 O LYS A 6 -0.430 -5.761 -4.066 1.00 0.00 O ATOM 78 CB LYS A 6 2.278 -7.006 -5.764 1.00 0.00 C ATOM 79 CG LYS A 6 2.745 -5.619 -5.306 1.00 0.00 C ATOM 80 CD LYS A 6 4.120 -5.312 -5.907 1.00 0.00 C ATOM 81 CE LYS A 6 5.201 -6.098 -5.160 1.00 0.00 C ATOM 82 NZ LYS A 6 6.460 -5.300 -5.125 1.00 0.00 N ATOM 0 H LYS A 6 0.977 -9.030 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 6 1.327 -7.543 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.080 -7.732 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.038 -6.987 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.025 -4.862 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.797 -5.583 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.132 -5.575 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.325 -4.243 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.870 -6.319 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.377 -7.054 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.195 -5.833 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.778 -5.111 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.286 -4.399 -4.636 1.00 0.00 H new ATOM 96 N ILE A 7 -0.516 -6.135 -6.287 1.00 0.00 N ATOM 97 CA ILE A 7 -1.560 -5.142 -6.521 1.00 0.00 C ATOM 98 C ILE A 7 -2.776 -5.443 -5.649 1.00 0.00 C ATOM 99 O ILE A 7 -3.331 -4.550 -5.007 1.00 0.00 O ATOM 100 CB ILE A 7 -1.959 -5.144 -8.006 1.00 0.00 C ATOM 101 CG1 ILE A 7 -0.968 -4.282 -8.803 1.00 0.00 C ATOM 102 CG2 ILE A 7 -3.373 -4.573 -8.175 1.00 0.00 C ATOM 103 CD1 ILE A 7 0.429 -4.910 -8.757 1.00 0.00 C ATOM 0 H ILE A 7 -0.200 -6.623 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.177 -4.156 -6.258 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.940 -6.169 -8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.301 -4.192 -9.837 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.936 -3.274 -8.390 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.644 -4.580 -9.231 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.081 -5.183 -7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.399 -3.550 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.125 -4.292 -9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.764 -4.976 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.393 -5.909 -9.192 1.00 0.00 H new ATOM 115 N ALA A 8 -3.179 -6.711 -5.632 1.00 0.00 N ATOM 116 CA ALA A 8 -4.327 -7.135 -4.839 1.00 0.00 C ATOM 117 C ALA A 8 -4.111 -6.829 -3.357 1.00 0.00 C ATOM 118 O ALA A 8 -4.991 -6.280 -2.694 1.00 0.00 O ATOM 119 CB ALA A 8 -4.557 -8.637 -5.021 1.00 0.00 C ATOM 0 H ALA A 8 -2.728 -7.460 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.202 -6.584 -5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.416 -8.948 -4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.747 -8.851 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.672 -9.183 -4.694 1.00 0.00 H new ATOM 125 N ARG A 9 -2.936 -7.191 -2.848 1.00 0.00 N ATOM 126 CA ARG A 9 -2.610 -6.957 -1.443 1.00 0.00 C ATOM 127 C ARG A 9 -2.657 -5.467 -1.114 1.00 0.00 C ATOM 128 O ARG A 9 -3.288 -5.057 -0.139 1.00 0.00 O ATOM 129 CB ARG A 9 -1.213 -7.511 -1.136 1.00 0.00 C ATOM 130 CG ARG A 9 -0.848 -7.242 0.329 1.00 0.00 C ATOM 131 CD ARG A 9 -1.827 -7.973 1.250 1.00 0.00 C ATOM 132 NE ARG A 9 -1.212 -8.214 2.552 1.00 0.00 N ATOM 133 CZ ARG A 9 -1.716 -9.105 3.401 1.00 0.00 C ATOM 134 NH1 ARG A 9 -2.781 -9.790 3.080 1.00 0.00 N ATOM 135 NH2 ARG A 9 -1.146 -9.293 4.559 1.00 0.00 N ATOM 0 H ARG A 9 -2.197 -7.645 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.350 -7.469 -0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.187 -8.583 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.477 -7.047 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.170 -7.576 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.876 -6.171 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.734 -7.380 1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.123 -8.920 0.799 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.379 -7.688 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.229 -9.642 2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.165 -10.473 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.316 -8.757 4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.531 -9.976 5.212 1.00 0.00 H new ATOM 149 N ILE A 10 -1.978 -4.667 -1.931 1.00 0.00 N ATOM 150 CA ILE A 10 -1.935 -3.222 -1.722 1.00 0.00 C ATOM 151 C ILE A 10 -3.344 -2.646 -1.577 1.00 0.00 C ATOM 152 O ILE A 10 -3.643 -1.966 -0.596 1.00 0.00 O ATOM 153 CB ILE A 10 -1.213 -2.546 -2.894 1.00 0.00 C ATOM 154 CG1 ILE A 10 0.280 -2.893 -2.840 1.00 0.00 C ATOM 155 CG2 ILE A 10 -1.382 -1.026 -2.801 1.00 0.00 C ATOM 156 CD1 ILE A 10 0.936 -2.560 -4.182 1.00 0.00 C ATOM 0 H ILE A 10 -1.451 -4.993 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.389 -3.027 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.641 -2.900 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.764 -2.334 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.409 -3.951 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.867 -0.551 -3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.442 -0.775 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.957 -0.669 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.997 -2.808 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.459 -3.138 -4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.820 -1.496 -4.390 1.00 0.00 H new ATOM 168 N ASN A 11 -4.201 -2.917 -2.560 1.00 0.00 N ATOM 169 CA ASN A 11 -5.570 -2.410 -2.529 1.00 0.00 C ATOM 170 C ASN A 11 -6.305 -2.918 -1.291 1.00 0.00 C ATOM 171 O ASN A 11 -7.062 -2.178 -0.662 1.00 0.00 O ATOM 172 CB ASN A 11 -6.314 -2.823 -3.811 1.00 0.00 C ATOM 173 CG ASN A 11 -7.230 -4.024 -3.567 1.00 0.00 C ATOM 174 OD1 ASN A 11 -8.194 -3.934 -2.806 1.00 0.00 O ATOM 175 ND2 ASN A 11 -6.990 -5.145 -4.186 1.00 0.00 N ATOM 0 H ASN A 11 -3.974 -3.479 -3.380 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.539 -1.322 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.904 -1.983 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.591 -3.068 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.601 -5.949 -4.040 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.191 -5.219 -4.816 1.00 0.00 H new ATOM 182 N GLU A 12 -6.078 -4.183 -0.950 1.00 0.00 N ATOM 183 CA GLU A 12 -6.726 -4.779 0.213 1.00 0.00 C ATOM 184 C GLU A 12 -6.344 -4.031 1.486 1.00 0.00 C ATOM 185 O GLU A 12 -7.206 -3.495 2.182 1.00 0.00 O ATOM 186 CB GLU A 12 -6.326 -6.253 0.343 1.00 0.00 C ATOM 187 CG GLU A 12 -7.236 -7.118 -0.536 1.00 0.00 C ATOM 188 CD GLU A 12 -8.685 -7.013 -0.064 1.00 0.00 C ATOM 189 OE1 GLU A 12 -8.963 -7.450 1.041 1.00 0.00 O ATOM 190 OE2 GLU A 12 -9.496 -6.496 -0.815 1.00 0.00 O ATOM 0 H GLU A 12 -5.455 -4.811 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.805 -4.708 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.286 -6.385 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.402 -6.570 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.161 -6.797 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.909 -8.157 -0.498 1.00 0.00 H new ATOM 197 N LEU A 13 -5.048 -4.002 1.786 1.00 0.00 N ATOM 198 CA LEU A 13 -4.558 -3.324 2.984 1.00 0.00 C ATOM 199 C LEU A 13 -4.941 -1.845 2.968 1.00 0.00 C ATOM 200 O LEU A 13 -5.428 -1.312 3.965 1.00 0.00 O ATOM 201 CB LEU A 13 -3.034 -3.457 3.070 1.00 0.00 C ATOM 202 CG LEU A 13 -2.607 -3.619 4.534 1.00 0.00 C ATOM 203 CD1 LEU A 13 -1.130 -4.016 4.593 1.00 0.00 C ATOM 204 CD2 LEU A 13 -2.803 -2.294 5.280 1.00 0.00 C ATOM 0 H LEU A 13 -4.321 -4.438 1.219 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.017 -3.793 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.702 -4.316 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.558 -2.576 2.638 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.216 -4.393 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.826 -4.131 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.985 -4.959 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.526 -3.241 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.498 -2.413 6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.197 -1.519 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.854 -2.006 5.240 1.00 0.00 H new ATOM 216 N ALA A 14 -4.711 -1.191 1.833 1.00 0.00 N ATOM 217 CA ALA A 14 -5.027 0.228 1.696 1.00 0.00 C ATOM 218 C ALA A 14 -6.489 0.499 2.036 1.00 0.00 C ATOM 219 O ALA A 14 -6.790 1.312 2.909 1.00 0.00 O ATOM 220 CB ALA A 14 -4.743 0.690 0.265 1.00 0.00 C ATOM 0 H ALA A 14 -4.309 -1.618 0.998 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.399 0.783 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.981 1.749 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.689 0.533 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.356 0.117 -0.431 1.00 0.00 H new ATOM 226 N ALA A 15 -7.392 -0.182 1.335 1.00 0.00 N ATOM 227 CA ALA A 15 -8.825 -0.002 1.559 1.00 0.00 C ATOM 228 C ALA A 15 -9.211 -0.366 2.992 1.00 0.00 C ATOM 229 O ALA A 15 -10.055 0.293 3.601 1.00 0.00 O ATOM 230 CB ALA A 15 -9.615 -0.875 0.582 1.00 0.00 C ATOM 0 H ALA A 15 -7.159 -0.861 0.610 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.063 1.049 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.683 -0.738 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.371 -0.588 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.355 -1.922 0.737 1.00 0.00 H new ATOM 236 N LYS A 16 -8.588 -1.413 3.525 1.00 0.00 N ATOM 237 CA LYS A 16 -8.871 -1.853 4.888 1.00 0.00 C ATOM 238 C LYS A 16 -8.485 -0.765 5.878 1.00 0.00 C ATOM 239 O LYS A 16 -9.336 -0.217 6.579 1.00 0.00 O ATOM 240 CB LYS A 16 -8.105 -3.142 5.203 1.00 0.00 C ATOM 241 CG LYS A 16 -9.059 -4.340 5.126 1.00 0.00 C ATOM 242 CD LYS A 16 -9.439 -4.615 3.664 1.00 0.00 C ATOM 243 CE LYS A 16 -10.820 -5.275 3.604 1.00 0.00 C ATOM 244 NZ LYS A 16 -10.778 -6.589 4.307 1.00 0.00 N ATOM 0 H LYS A 16 -7.887 -1.970 3.037 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.939 -2.051 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.285 -3.271 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.662 -3.080 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.585 -5.221 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.956 -4.140 5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.446 -3.683 3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.695 -5.263 3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.564 -4.627 4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.122 -5.416 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.636 -7.131 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.941 -7.122 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.728 -6.432 5.334 1.00 0.00 H new ATOM 258 N ALA A 17 -7.192 -0.454 5.920 1.00 0.00 N ATOM 259 CA ALA A 17 -6.689 0.577 6.816 1.00 0.00 C ATOM 260 C ALA A 17 -7.388 1.903 6.539 1.00 0.00 C ATOM 261 O ALA A 17 -7.495 2.753 7.421 1.00 0.00 O ATOM 262 CB ALA A 17 -5.180 0.744 6.623 1.00 0.00 C ATOM 0 H ALA A 17 -6.478 -0.901 5.345 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.891 0.276 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.810 1.517 7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.679 -0.199 6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.975 1.033 5.592 1.00 0.00 H new ATOM 268 N LYS A 18 -7.866 2.070 5.306 1.00 0.00 N ATOM 269 CA LYS A 18 -8.556 3.302 4.930 1.00 0.00 C ATOM 270 C LYS A 18 -9.953 3.341 5.543 1.00 0.00 C ATOM 271 O LYS A 18 -10.289 4.267 6.282 1.00 0.00 O ATOM 272 CB LYS A 18 -8.659 3.411 3.404 1.00 0.00 C ATOM 273 CG LYS A 18 -9.584 4.576 3.031 1.00 0.00 C ATOM 274 CD LYS A 18 -9.264 5.054 1.612 1.00 0.00 C ATOM 275 CE LYS A 18 -10.204 6.202 1.233 1.00 0.00 C ATOM 276 NZ LYS A 18 -11.587 5.674 1.065 1.00 0.00 N ATOM 0 H LYS A 18 -7.790 1.378 4.560 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.979 4.145 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.670 3.567 2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.045 2.480 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.625 4.260 3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.457 5.395 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.227 5.385 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.376 4.231 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.188 6.970 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.868 6.672 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.161 6.364 0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.555 4.778 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.012 5.511 2.000 1.00 0.00 H new ATOM 290 N ALA A 19 -10.761 2.330 5.230 1.00 0.00 N ATOM 291 CA ALA A 19 -12.122 2.256 5.752 1.00 0.00 C ATOM 292 C ALA A 19 -12.118 1.878 7.232 1.00 0.00 C ATOM 293 O ALA A 19 -13.175 1.786 7.859 1.00 0.00 O ATOM 294 CB ALA A 19 -12.927 1.219 4.962 1.00 0.00 C ATOM 0 H ALA A 19 -10.498 1.555 4.621 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.583 3.238 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.942 1.169 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.960 1.507 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.453 0.242 5.055 1.00 0.00 H new ATOM 300 N GLY A 20 -10.924 1.664 7.786 1.00 0.00 N ATOM 301 CA GLY A 20 -10.797 1.298 9.193 1.00 0.00 C ATOM 302 C GLY A 20 -10.413 2.507 10.040 1.00 0.00 C ATOM 303 O GLY A 20 -11.257 3.084 10.725 1.00 0.00 O ATOM 0 H GLY A 20 -10.039 1.738 7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.739 0.883 9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.043 0.518 9.303 1.00 0.00 H new ATOM 307 N VAL A 21 -9.137 2.889 9.980 1.00 0.00 N ATOM 308 CA VAL A 21 -8.644 4.037 10.742 1.00 0.00 C ATOM 309 C VAL A 21 -7.388 4.609 10.090 1.00 0.00 C ATOM 310 O VAL A 21 -7.198 5.825 10.048 1.00 0.00 O ATOM 311 CB VAL A 21 -8.322 3.630 12.189 1.00 0.00 C ATOM 312 CG1 VAL A 21 -9.619 3.380 12.968 1.00 0.00 C ATOM 313 CG2 VAL A 21 -7.473 2.354 12.193 1.00 0.00 C ATOM 0 H VAL A 21 -8.428 2.422 9.414 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.426 4.796 10.749 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.767 4.438 12.665 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.379 3.092 13.992 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.219 4.290 12.978 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.183 2.579 12.489 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.248 2.070 13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.024 1.549 11.707 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.543 2.534 11.654 1.00 0.00 H new ATOM 323 N ILE A 22 -6.535 3.715 9.590 1.00 0.00 N ATOM 324 CA ILE A 22 -5.284 4.109 8.942 1.00 0.00 C ATOM 325 C ILE A 22 -4.305 4.669 9.974 1.00 0.00 C ATOM 326 O ILE A 22 -4.669 5.506 10.802 1.00 0.00 O ATOM 327 CB ILE A 22 -5.554 5.135 7.818 1.00 0.00 C ATOM 328 CG1 ILE A 22 -4.997 4.598 6.488 1.00 0.00 C ATOM 329 CG2 ILE A 22 -4.897 6.487 8.137 1.00 0.00 C ATOM 330 CD1 ILE A 22 -3.515 4.234 6.638 1.00 0.00 C ATOM 0 H ILE A 22 -6.689 2.707 9.622 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.832 3.227 8.489 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.631 5.284 7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.564 3.721 6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.117 5.349 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.102 7.191 7.330 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.302 6.877 9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.820 6.354 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.135 3.856 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.950 5.120 6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.405 3.467 7.405 1.00 0.00 H new ATOM 342 N THR A 23 -3.065 4.191 9.920 1.00 0.00 N ATOM 343 CA THR A 23 -2.035 4.638 10.854 1.00 0.00 C ATOM 344 C THR A 23 -0.756 4.999 10.107 1.00 0.00 C ATOM 345 O THR A 23 -0.469 4.444 9.046 1.00 0.00 O ATOM 346 CB THR A 23 -1.736 3.533 11.876 1.00 0.00 C ATOM 347 OG1 THR A 23 -1.090 2.447 11.226 1.00 0.00 O ATOM 348 CG2 THR A 23 -3.042 3.047 12.509 1.00 0.00 C ATOM 0 H THR A 23 -2.749 3.497 9.242 1.00 0.00 H new ATOM 0 HA THR A 23 -2.403 5.523 11.373 1.00 0.00 H new ATOM 0 HB THR A 23 -1.085 3.930 12.655 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.742 1.738 11.047 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.825 2.262 13.234 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.535 3.879 13.012 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.698 2.652 11.733 1.00 0.00 H new ATOM 356 N GLU A 24 0.009 5.929 10.674 1.00 0.00 N ATOM 357 CA GLU A 24 1.264 6.359 10.063 1.00 0.00 C ATOM 358 C GLU A 24 2.118 5.150 9.688 1.00 0.00 C ATOM 359 O GLU A 24 2.709 5.106 8.609 1.00 0.00 O ATOM 360 CB GLU A 24 2.036 7.249 11.043 1.00 0.00 C ATOM 361 CG GLU A 24 3.274 7.834 10.353 1.00 0.00 C ATOM 362 CD GLU A 24 4.266 8.347 11.396 1.00 0.00 C ATOM 363 OE1 GLU A 24 3.823 8.929 12.374 1.00 0.00 O ATOM 364 OE2 GLU A 24 5.455 8.153 11.200 1.00 0.00 O ATOM 0 H GLU A 24 -0.217 6.397 11.552 1.00 0.00 H new ATOM 0 HA GLU A 24 1.037 6.922 9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.394 8.054 11.400 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.336 6.669 11.916 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.748 7.073 9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.979 8.647 9.690 1.00 0.00 H new ATOM 371 N GLU A 25 2.172 4.171 10.589 1.00 0.00 N ATOM 372 CA GLU A 25 2.952 2.959 10.353 1.00 0.00 C ATOM 373 C GLU A 25 2.461 2.242 9.099 1.00 0.00 C ATOM 374 O GLU A 25 3.245 1.943 8.197 1.00 0.00 O ATOM 375 CB GLU A 25 2.843 2.018 11.559 1.00 0.00 C ATOM 376 CG GLU A 25 3.050 2.806 12.859 1.00 0.00 C ATOM 377 CD GLU A 25 4.290 3.692 12.752 1.00 0.00 C ATOM 378 OE1 GLU A 25 5.384 3.157 12.827 1.00 0.00 O ATOM 379 OE2 GLU A 25 4.128 4.892 12.594 1.00 0.00 O ATOM 0 H GLU A 25 1.687 4.193 11.486 1.00 0.00 H new ATOM 0 HA GLU A 25 3.994 3.244 10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.865 1.536 11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.588 1.226 11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.173 3.420 13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.159 2.117 13.696 1.00 0.00 H new ATOM 386 N GLU A 26 1.158 1.974 9.048 1.00 0.00 N ATOM 387 CA GLU A 26 0.569 1.294 7.898 1.00 0.00 C ATOM 388 C GLU A 26 0.745 2.136 6.640 1.00 0.00 C ATOM 389 O GLU A 26 1.247 1.652 5.626 1.00 0.00 O ATOM 390 CB GLU A 26 -0.924 1.049 8.139 1.00 0.00 C ATOM 391 CG GLU A 26 -1.109 -0.037 9.202 1.00 0.00 C ATOM 392 CD GLU A 26 -2.595 -0.221 9.499 1.00 0.00 C ATOM 393 OE1 GLU A 26 -3.238 -0.961 8.772 1.00 0.00 O ATOM 394 OE2 GLU A 26 -3.070 0.385 10.446 1.00 0.00 O ATOM 0 H GLU A 26 0.494 2.215 9.784 1.00 0.00 H new ATOM 0 HA GLU A 26 1.076 0.338 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.405 1.972 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.406 0.746 7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.679 -0.976 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.578 0.239 10.113 1.00 0.00 H new ATOM 401 N LYS A 27 0.330 3.398 6.720 1.00 0.00 N ATOM 402 CA LYS A 27 0.440 4.314 5.588 1.00 0.00 C ATOM 403 C LYS A 27 1.870 4.340 5.045 1.00 0.00 C ATOM 404 O LYS A 27 2.079 4.396 3.832 1.00 0.00 O ATOM 405 CB LYS A 27 0.023 5.722 6.023 1.00 0.00 C ATOM 406 CG LYS A 27 -0.150 6.619 4.794 1.00 0.00 C ATOM 407 CD LYS A 27 -0.496 8.041 5.247 1.00 0.00 C ATOM 408 CE LYS A 27 -0.860 8.898 4.032 1.00 0.00 C ATOM 409 NZ LYS A 27 0.347 9.097 3.180 1.00 0.00 N ATOM 0 H LYS A 27 -0.085 3.809 7.556 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.221 3.966 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.910 5.677 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.776 6.144 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.766 6.626 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.940 6.228 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.330 8.016 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.351 8.481 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.648 8.414 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.250 9.862 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.150 9.824 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.144 9.403 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.590 8.203 2.708 1.00 0.00 H new ATOM 423 N ALA A 28 2.849 4.298 5.949 1.00 0.00 N ATOM 424 CA ALA A 28 4.254 4.317 5.545 1.00 0.00 C ATOM 425 C ALA A 28 4.585 3.100 4.684 1.00 0.00 C ATOM 426 O ALA A 28 5.273 3.215 3.670 1.00 0.00 O ATOM 427 CB ALA A 28 5.155 4.331 6.783 1.00 0.00 C ATOM 0 H ALA A 28 2.697 4.251 6.957 1.00 0.00 H new ATOM 0 HA ALA A 28 4.429 5.219 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.200 4.345 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.941 5.219 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.966 3.439 7.381 1.00 0.00 H new ATOM 433 N GLU A 29 4.088 1.936 5.095 1.00 0.00 N ATOM 434 CA GLU A 29 4.334 0.704 4.350 1.00 0.00 C ATOM 435 C GLU A 29 3.822 0.834 2.917 1.00 0.00 C ATOM 436 O GLU A 29 4.589 0.709 1.963 1.00 0.00 O ATOM 437 CB GLU A 29 3.645 -0.476 5.044 1.00 0.00 C ATOM 438 CG GLU A 29 4.642 -1.185 5.967 1.00 0.00 C ATOM 439 CD GLU A 29 4.918 -0.330 7.202 1.00 0.00 C ATOM 440 OE1 GLU A 29 5.710 0.593 7.097 1.00 0.00 O ATOM 441 OE2 GLU A 29 4.333 -0.610 8.236 1.00 0.00 O ATOM 0 H GLU A 29 3.517 1.820 5.932 1.00 0.00 H new ATOM 0 HA GLU A 29 5.409 0.525 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.789 -0.123 5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.262 -1.175 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.244 -2.154 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.572 -1.375 5.432 1.00 0.00 H new ATOM 448 N GLN A 30 2.522 1.087 2.775 1.00 0.00 N ATOM 449 CA GLN A 30 1.914 1.236 1.452 1.00 0.00 C ATOM 450 C GLN A 30 2.702 2.230 0.601 1.00 0.00 C ATOM 451 O GLN A 30 2.727 2.127 -0.626 1.00 0.00 O ATOM 452 CB GLN A 30 0.461 1.717 1.578 1.00 0.00 C ATOM 453 CG GLN A 30 -0.146 1.217 2.892 1.00 0.00 C ATOM 454 CD GLN A 30 -1.665 1.362 2.864 1.00 0.00 C ATOM 455 OE1 GLN A 30 -2.231 1.824 1.872 1.00 0.00 O ATOM 456 NE2 GLN A 30 -2.363 0.997 3.904 1.00 0.00 N ATOM 0 H GLN A 30 1.872 1.193 3.554 1.00 0.00 H new ATOM 0 HA GLN A 30 1.931 0.260 0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.426 2.806 1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.126 1.352 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.123 0.173 3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.265 1.783 3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.893 0.615 4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.378 1.094 3.896 1.00 0.00 H new ATOM 465 N GLN A 31 3.337 3.196 1.263 1.00 0.00 N ATOM 466 CA GLN A 31 4.118 4.212 0.564 1.00 0.00 C ATOM 467 C GLN A 31 5.205 3.575 -0.297 1.00 0.00 C ATOM 468 O GLN A 31 5.225 3.758 -1.513 1.00 0.00 O ATOM 469 CB GLN A 31 4.760 5.166 1.576 1.00 0.00 C ATOM 470 CG GLN A 31 5.015 6.524 0.915 1.00 0.00 C ATOM 471 CD GLN A 31 5.987 7.345 1.758 1.00 0.00 C ATOM 472 OE1 GLN A 31 6.105 7.128 2.965 1.00 0.00 O ATOM 473 NE2 GLN A 31 6.695 8.283 1.191 1.00 0.00 N ATOM 0 H GLN A 31 3.326 3.295 2.278 1.00 0.00 H new ATOM 0 HA GLN A 31 3.443 4.767 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.107 5.288 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.697 4.747 1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.422 6.379 -0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.075 7.064 0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.597 8.462 0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.346 8.837 1.747 1.00 0.00 H new ATOM 482 N LYS A 32 6.113 2.836 0.338 1.00 0.00 N ATOM 483 CA LYS A 32 7.203 2.190 -0.388 1.00 0.00 C ATOM 484 C LYS A 32 6.661 1.235 -1.451 1.00 0.00 C ATOM 485 O LYS A 32 7.192 1.163 -2.558 1.00 0.00 O ATOM 486 CB LYS A 32 8.117 1.436 0.591 1.00 0.00 C ATOM 487 CG LYS A 32 7.596 0.011 0.821 1.00 0.00 C ATOM 488 CD LYS A 32 8.393 -0.655 1.946 1.00 0.00 C ATOM 489 CE LYS A 32 7.901 -2.093 2.140 1.00 0.00 C ATOM 490 NZ LYS A 32 6.752 -2.104 3.089 1.00 0.00 N ATOM 0 H LYS A 32 6.116 2.671 1.345 1.00 0.00 H new ATOM 0 HA LYS A 32 7.784 2.963 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.132 1.399 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.164 1.970 1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.537 0.038 1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.686 -0.572 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.456 -0.653 1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.276 -0.091 2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.599 -2.517 1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.709 -2.716 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.230 -2.999 2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.105 -2.013 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.117 -1.308 2.875 1.00 0.00 H new ATOM 504 N LEU A 33 5.603 0.506 -1.105 1.00 0.00 N ATOM 505 CA LEU A 33 4.999 -0.442 -2.036 1.00 0.00 C ATOM 506 C LEU A 33 4.563 0.260 -3.321 1.00 0.00 C ATOM 507 O LEU A 33 5.005 -0.097 -4.414 1.00 0.00 O ATOM 508 CB LEU A 33 3.789 -1.121 -1.384 1.00 0.00 C ATOM 509 CG LEU A 33 4.267 -2.158 -0.361 1.00 0.00 C ATOM 510 CD1 LEU A 33 3.074 -2.651 0.461 1.00 0.00 C ATOM 511 CD2 LEU A 33 4.908 -3.345 -1.089 1.00 0.00 C ATOM 0 H LEU A 33 5.149 0.553 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 33 5.746 -1.195 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.162 -0.376 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.176 -1.603 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 33 5.002 -1.699 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.413 -3.388 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.619 -1.809 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.339 -3.107 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.247 -4.080 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.175 -3.804 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.759 -2.996 -1.674 1.00 0.00 H new ATOM 523 N ARG A 34 3.690 1.256 -3.180 1.00 0.00 N ATOM 524 CA ARG A 34 3.192 2.001 -4.335 1.00 0.00 C ATOM 525 C ARG A 34 4.311 2.803 -4.992 1.00 0.00 C ATOM 526 O ARG A 34 4.407 2.856 -6.218 1.00 0.00 O ATOM 527 CB ARG A 34 2.066 2.946 -3.902 1.00 0.00 C ATOM 528 CG ARG A 34 0.768 2.151 -3.724 1.00 0.00 C ATOM 529 CD ARG A 34 0.222 1.735 -5.094 1.00 0.00 C ATOM 530 NE ARG A 34 -1.223 1.531 -5.024 1.00 0.00 N ATOM 531 CZ ARG A 34 -2.072 2.556 -5.044 1.00 0.00 C ATOM 532 NH1 ARG A 34 -1.624 3.780 -5.121 1.00 0.00 N ATOM 533 NH2 ARG A 34 -3.358 2.338 -4.987 1.00 0.00 N ATOM 0 H ARG A 34 3.315 1.564 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 34 2.808 1.285 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.332 3.441 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.926 3.728 -4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.953 1.268 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.030 2.755 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.452 2.502 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.710 0.818 -5.424 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.590 0.581 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.620 3.954 -5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.278 4.562 -5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.711 1.383 -4.927 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.009 3.123 -5.002 1.00 0.00 H new ATOM 547 N GLN A 35 5.154 3.424 -4.172 1.00 0.00 N ATOM 548 CA GLN A 35 6.263 4.220 -4.689 1.00 0.00 C ATOM 549 C GLN A 35 7.205 3.351 -5.517 1.00 0.00 C ATOM 550 O GLN A 35 7.708 3.782 -6.556 1.00 0.00 O ATOM 551 CB GLN A 35 7.031 4.858 -3.526 1.00 0.00 C ATOM 552 CG GLN A 35 8.288 5.566 -4.049 1.00 0.00 C ATOM 553 CD GLN A 35 7.915 6.612 -5.097 1.00 0.00 C ATOM 554 OE1 GLN A 35 6.932 7.338 -4.933 1.00 0.00 O ATOM 555 NE2 GLN A 35 8.647 6.736 -6.171 1.00 0.00 N ATOM 0 H GLN A 35 5.092 3.392 -3.154 1.00 0.00 H new ATOM 0 HA GLN A 35 5.860 5.005 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.392 5.572 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.310 4.093 -2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.815 6.043 -3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.970 4.835 -4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.460 6.135 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.406 7.434 -6.875 1.00 0.00 H new