USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=3 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 : amide:sc= -1.18! K(o=-1.2!,f=-0.4) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0.0879 (180deg=0.0143) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.306 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0171) USER MOD Single : A 30 GLN : amide:sc= -0.123 K(o=-0.12,f=-3.5!) USER MOD Single : A 31 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 50 N ASN A 4 0.039 -10.273 -10.230 1.00 0.00 N ATOM 51 CA ASN A 4 -1.311 -9.806 -9.916 1.00 0.00 C ATOM 52 C ASN A 4 -1.568 -9.885 -8.411 1.00 0.00 C ATOM 53 O ASN A 4 -2.648 -9.532 -7.936 1.00 0.00 O ATOM 54 CB ASN A 4 -2.355 -10.642 -10.670 1.00 0.00 C ATOM 55 CG ASN A 4 -1.887 -10.917 -12.099 1.00 0.00 C ATOM 56 OD1 ASN A 4 -2.321 -11.888 -12.718 1.00 0.00 O ATOM 57 ND2 ASN A 4 -1.021 -10.118 -12.661 1.00 0.00 N ATOM 0 HA ASN A 4 -1.396 -8.766 -10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.522 -11.584 -10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.309 -10.114 -10.688 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.704 -10.298 -13.614 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.662 -9.313 -12.148 1.00 0.00 H new ATOM 64 N ALA A 5 -0.560 -10.345 -7.670 1.00 0.00 N ATOM 65 CA ALA A 5 -0.670 -10.466 -6.220 1.00 0.00 C ATOM 66 C ALA A 5 -0.395 -9.122 -5.555 1.00 0.00 C ATOM 67 O ALA A 5 -0.892 -8.846 -4.462 1.00 0.00 O ATOM 68 CB ALA A 5 0.326 -11.508 -5.706 1.00 0.00 C ATOM 0 H ALA A 5 0.339 -10.639 -8.051 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.683 -10.783 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.238 -11.592 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.111 -12.474 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.339 -11.201 -5.965 1.00 0.00 H new ATOM 74 N LYS A 6 0.396 -8.288 -6.227 1.00 0.00 N ATOM 75 CA LYS A 6 0.732 -6.970 -5.700 1.00 0.00 C ATOM 76 C LYS A 6 -0.509 -6.084 -5.689 1.00 0.00 C ATOM 77 O LYS A 6 -0.796 -5.414 -4.697 1.00 0.00 O ATOM 78 CB LYS A 6 1.823 -6.324 -6.560 1.00 0.00 C ATOM 79 CG LYS A 6 2.551 -5.248 -5.747 1.00 0.00 C ATOM 80 CD LYS A 6 3.734 -4.709 -6.558 1.00 0.00 C ATOM 81 CE LYS A 6 4.521 -3.698 -5.716 1.00 0.00 C ATOM 82 NZ LYS A 6 4.153 -2.314 -6.129 1.00 0.00 N ATOM 0 H LYS A 6 0.814 -8.501 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 6 1.102 -7.080 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.531 -7.081 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.382 -5.882 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.866 -4.437 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.903 -5.666 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.385 -5.530 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.375 -4.235 -7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.304 -3.843 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.592 -3.855 -5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.566 -1.631 -5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.518 -2.128 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.118 -2.215 -6.128 1.00 0.00 H new ATOM 96 N ILE A 7 -1.245 -6.095 -6.798 1.00 0.00 N ATOM 97 CA ILE A 7 -2.461 -5.298 -6.905 1.00 0.00 C ATOM 98 C ILE A 7 -3.414 -5.640 -5.764 1.00 0.00 C ATOM 99 O ILE A 7 -3.895 -4.755 -5.059 1.00 0.00 O ATOM 100 CB ILE A 7 -3.150 -5.560 -8.251 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.229 -5.117 -9.396 1.00 0.00 C ATOM 102 CG2 ILE A 7 -4.464 -4.773 -8.322 1.00 0.00 C ATOM 103 CD1 ILE A 7 -2.758 -5.669 -10.725 1.00 0.00 C ATOM 0 H ILE A 7 -1.022 -6.643 -7.629 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.193 -4.243 -6.843 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.360 -6.625 -8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.180 -4.029 -9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.215 -5.475 -9.220 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.950 -4.962 -9.279 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.122 -5.089 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.256 -3.708 -8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.103 -5.353 -11.537 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.784 -6.758 -10.682 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.764 -5.289 -10.902 1.00 0.00 H new ATOM 115 N ALA A 8 -3.679 -6.936 -5.594 1.00 0.00 N ATOM 116 CA ALA A 8 -4.575 -7.403 -4.540 1.00 0.00 C ATOM 117 C ALA A 8 -4.083 -6.954 -3.166 1.00 0.00 C ATOM 118 O ALA A 8 -4.877 -6.566 -2.310 1.00 0.00 O ATOM 119 CB ALA A 8 -4.667 -8.932 -4.577 1.00 0.00 C ATOM 0 H ALA A 8 -3.286 -7.678 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.561 -6.971 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.337 -9.275 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.053 -9.250 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.676 -9.360 -4.423 1.00 0.00 H new ATOM 125 N ARG A 9 -2.768 -7.016 -2.964 1.00 0.00 N ATOM 126 CA ARG A 9 -2.177 -6.618 -1.689 1.00 0.00 C ATOM 127 C ARG A 9 -2.486 -5.153 -1.384 1.00 0.00 C ATOM 128 O ARG A 9 -3.313 -4.850 -0.524 1.00 0.00 O ATOM 129 CB ARG A 9 -0.659 -6.838 -1.722 1.00 0.00 C ATOM 130 CG ARG A 9 -0.036 -6.344 -0.412 1.00 0.00 C ATOM 131 CD ARG A 9 1.388 -6.890 -0.278 1.00 0.00 C ATOM 132 NE ARG A 9 1.386 -8.123 0.504 1.00 0.00 N ATOM 133 CZ ARG A 9 1.410 -8.103 1.836 1.00 0.00 C ATOM 134 NH1 ARG A 9 1.418 -6.966 2.478 1.00 0.00 N ATOM 135 NH2 ARG A 9 1.421 -9.227 2.501 1.00 0.00 N ATOM 0 H ARG A 9 -2.096 -7.336 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.611 -7.234 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.438 -7.896 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.223 -6.305 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.021 -5.254 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.641 -6.669 0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.807 -7.079 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.026 -6.148 0.202 1.00 0.00 H new ATOM 0 HE ARG A 9 1.366 -9.020 0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.406 -6.088 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.436 -6.956 3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.411 -10.116 2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.439 -9.216 3.521 1.00 0.00 H new ATOM 149 N ILE A 10 -1.805 -4.253 -2.091 1.00 0.00 N ATOM 150 CA ILE A 10 -1.999 -2.817 -1.890 1.00 0.00 C ATOM 151 C ILE A 10 -3.485 -2.460 -1.914 1.00 0.00 C ATOM 152 O ILE A 10 -3.946 -1.647 -1.114 1.00 0.00 O ATOM 153 CB ILE A 10 -1.262 -2.021 -2.978 1.00 0.00 C ATOM 154 CG1 ILE A 10 0.158 -2.577 -3.156 1.00 0.00 C ATOM 155 CG2 ILE A 10 -1.177 -0.546 -2.563 1.00 0.00 C ATOM 156 CD1 ILE A 10 0.934 -1.710 -4.152 1.00 0.00 C ATOM 0 H ILE A 10 -1.117 -4.491 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.591 -2.556 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.807 -2.109 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.674 -2.595 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.113 -3.606 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.654 0.019 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.183 -0.145 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.634 -0.464 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.941 -2.109 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.422 -1.715 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.992 -0.688 -3.777 1.00 0.00 H new ATOM 168 N ASN A 11 -4.226 -3.070 -2.838 1.00 0.00 N ATOM 169 CA ASN A 11 -5.659 -2.806 -2.961 1.00 0.00 C ATOM 170 C ASN A 11 -6.399 -3.178 -1.677 1.00 0.00 C ATOM 171 O ASN A 11 -7.057 -2.337 -1.064 1.00 0.00 O ATOM 172 CB ASN A 11 -6.238 -3.602 -4.135 1.00 0.00 C ATOM 173 CG ASN A 11 -7.755 -3.442 -4.190 1.00 0.00 C ATOM 174 OD1 ASN A 11 -8.270 -2.330 -4.061 1.00 0.00 O ATOM 175 ND2 ASN A 11 -8.507 -4.493 -4.377 1.00 0.00 N ATOM 0 H ASN A 11 -3.861 -3.746 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.792 -1.739 -3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.796 -3.257 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.981 -4.656 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.521 -4.394 -4.416 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.080 -5.413 -4.484 1.00 0.00 H new ATOM 182 N GLU A 12 -6.295 -4.445 -1.283 1.00 0.00 N ATOM 183 CA GLU A 12 -6.964 -4.921 -0.076 1.00 0.00 C ATOM 184 C GLU A 12 -6.503 -4.131 1.145 1.00 0.00 C ATOM 185 O GLU A 12 -7.306 -3.794 2.015 1.00 0.00 O ATOM 186 CB GLU A 12 -6.675 -6.410 0.130 1.00 0.00 C ATOM 187 CG GLU A 12 -7.494 -6.932 1.314 1.00 0.00 C ATOM 188 CD GLU A 12 -7.585 -8.455 1.259 1.00 0.00 C ATOM 189 OE1 GLU A 12 -6.573 -9.099 1.490 1.00 0.00 O ATOM 190 OE2 GLU A 12 -8.664 -8.956 0.990 1.00 0.00 O ATOM 0 H GLU A 12 -5.757 -5.156 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.037 -4.775 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.925 -6.968 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.612 -6.562 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.032 -6.621 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.494 -6.499 1.293 1.00 0.00 H new ATOM 197 N LEU A 13 -5.206 -3.832 1.198 1.00 0.00 N ATOM 198 CA LEU A 13 -4.652 -3.075 2.316 1.00 0.00 C ATOM 199 C LEU A 13 -5.304 -1.698 2.399 1.00 0.00 C ATOM 200 O LEU A 13 -5.690 -1.249 3.478 1.00 0.00 O ATOM 201 CB LEU A 13 -3.136 -2.919 2.143 1.00 0.00 C ATOM 202 CG LEU A 13 -2.454 -2.885 3.517 1.00 0.00 C ATOM 203 CD1 LEU A 13 -0.933 -2.894 3.335 1.00 0.00 C ATOM 204 CD2 LEU A 13 -2.868 -1.617 4.274 1.00 0.00 C ATOM 0 H LEU A 13 -4.526 -4.100 0.487 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.855 -3.618 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.742 -3.746 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.916 -2.002 1.595 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.760 -3.761 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.450 -2.870 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.635 -3.799 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.630 -2.020 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.380 -1.599 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.569 -0.738 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.950 -1.611 4.410 1.00 0.00 H new ATOM 216 N ALA A 14 -5.427 -1.036 1.252 1.00 0.00 N ATOM 217 CA ALA A 14 -6.038 0.287 1.204 1.00 0.00 C ATOM 218 C ALA A 14 -7.428 0.252 1.837 1.00 0.00 C ATOM 219 O ALA A 14 -7.735 1.049 2.725 1.00 0.00 O ATOM 220 CB ALA A 14 -6.142 0.765 -0.246 1.00 0.00 C ATOM 0 H ALA A 14 -5.114 -1.392 0.349 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.411 0.980 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.600 1.754 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.146 0.815 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.755 0.067 -0.816 1.00 0.00 H new ATOM 226 N ALA A 15 -8.258 -0.684 1.379 1.00 0.00 N ATOM 227 CA ALA A 15 -9.611 -0.825 1.912 1.00 0.00 C ATOM 228 C ALA A 15 -9.563 -1.195 3.392 1.00 0.00 C ATOM 229 O ALA A 15 -10.417 -0.780 4.176 1.00 0.00 O ATOM 230 CB ALA A 15 -10.366 -1.906 1.138 1.00 0.00 C ATOM 0 H ALA A 15 -8.019 -1.351 0.645 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.129 0.128 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.374 -2.005 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.422 -1.628 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.841 -2.856 1.235 1.00 0.00 H new ATOM 236 N LYS A 16 -8.552 -1.976 3.765 1.00 0.00 N ATOM 237 CA LYS A 16 -8.385 -2.392 5.152 1.00 0.00 C ATOM 238 C LYS A 16 -8.184 -1.169 6.036 1.00 0.00 C ATOM 239 O LYS A 16 -8.994 -0.888 6.917 1.00 0.00 O ATOM 240 CB LYS A 16 -7.183 -3.336 5.281 1.00 0.00 C ATOM 241 CG LYS A 16 -7.132 -3.914 6.697 1.00 0.00 C ATOM 242 CD LYS A 16 -6.182 -5.115 6.729 1.00 0.00 C ATOM 243 CE LYS A 16 -6.951 -6.389 6.369 1.00 0.00 C ATOM 244 NZ LYS A 16 -6.082 -7.576 6.605 1.00 0.00 N ATOM 0 H LYS A 16 -7.839 -2.332 3.128 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.282 -2.922 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.261 -4.142 4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.260 -2.798 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.795 -3.152 7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.130 -4.219 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.363 -4.962 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.738 -5.214 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.857 -6.462 6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.264 -6.355 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.603 -8.442 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.230 -7.506 6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.805 -7.610 7.607 1.00 0.00 H new ATOM 258 N ALA A 17 -7.102 -0.442 5.777 1.00 0.00 N ATOM 259 CA ALA A 17 -6.793 0.764 6.536 1.00 0.00 C ATOM 260 C ALA A 17 -7.915 1.784 6.394 1.00 0.00 C ATOM 261 O ALA A 17 -8.028 2.701 7.206 1.00 0.00 O ATOM 262 CB ALA A 17 -5.474 1.365 6.047 1.00 0.00 C ATOM 0 H ALA A 17 -6.425 -0.667 5.048 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.696 0.498 7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.250 2.266 6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.671 0.640 6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.559 1.618 4.990 1.00 0.00 H new ATOM 268 N LYS A 18 -8.757 1.613 5.375 1.00 0.00 N ATOM 269 CA LYS A 18 -9.873 2.532 5.185 1.00 0.00 C ATOM 270 C LYS A 18 -10.814 2.405 6.377 1.00 0.00 C ATOM 271 O LYS A 18 -10.922 3.318 7.195 1.00 0.00 O ATOM 272 CB LYS A 18 -10.626 2.222 3.886 1.00 0.00 C ATOM 273 CG LYS A 18 -11.536 3.403 3.529 1.00 0.00 C ATOM 274 CD LYS A 18 -12.311 3.090 2.245 1.00 0.00 C ATOM 275 CE LYS A 18 -12.742 4.398 1.575 1.00 0.00 C ATOM 276 NZ LYS A 18 -13.560 4.092 0.368 1.00 0.00 N ATOM 0 H LYS A 18 -8.690 0.865 4.685 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.491 3.550 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.918 2.037 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.219 1.315 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.231 3.599 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.940 4.306 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.688 2.509 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.186 2.482 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.318 5.004 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.865 4.982 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.853 4.980 -0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.995 3.530 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.404 3.552 0.648 1.00 0.00 H new ATOM 290 N ALA A 19 -11.464 1.248 6.482 1.00 0.00 N ATOM 291 CA ALA A 19 -12.364 0.984 7.597 1.00 0.00 C ATOM 292 C ALA A 19 -11.551 0.618 8.838 1.00 0.00 C ATOM 293 O ALA A 19 -12.097 0.462 9.931 1.00 0.00 O ATOM 294 CB ALA A 19 -13.313 -0.167 7.245 1.00 0.00 C ATOM 0 H ALA A 19 -11.384 0.484 5.811 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.951 1.880 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.982 -0.357 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.900 0.101 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.733 -1.065 7.033 1.00 0.00 H new ATOM 300 N GLY A 20 -10.237 0.479 8.650 1.00 0.00 N ATOM 301 CA GLY A 20 -9.333 0.126 9.741 1.00 0.00 C ATOM 302 C GLY A 20 -8.625 1.358 10.292 1.00 0.00 C ATOM 303 O GLY A 20 -7.876 1.267 11.265 1.00 0.00 O ATOM 0 H GLY A 20 -9.776 0.606 7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.894 -0.361 10.538 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.594 -0.593 9.386 1.00 0.00 H new ATOM 307 N VAL A 21 -8.871 2.509 9.665 1.00 0.00 N ATOM 308 CA VAL A 21 -8.258 3.760 10.100 1.00 0.00 C ATOM 309 C VAL A 21 -6.751 3.734 9.858 1.00 0.00 C ATOM 310 O VAL A 21 -5.982 3.239 10.683 1.00 0.00 O ATOM 311 CB VAL A 21 -8.554 4.003 11.586 1.00 0.00 C ATOM 312 CG1 VAL A 21 -8.554 5.507 11.874 1.00 0.00 C ATOM 313 CG2 VAL A 21 -9.926 3.413 11.929 1.00 0.00 C ATOM 0 H VAL A 21 -9.488 2.599 8.858 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.685 4.576 9.517 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.787 3.524 12.194 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.765 5.675 12.930 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.578 5.925 11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.320 5.993 11.269 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.142 3.583 12.984 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.691 3.894 11.320 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.922 2.342 11.727 1.00 0.00 H new ATOM 323 N ILE A 22 -6.342 4.273 8.714 1.00 0.00 N ATOM 324 CA ILE A 22 -4.929 4.317 8.353 1.00 0.00 C ATOM 325 C ILE A 22 -4.108 4.932 9.484 1.00 0.00 C ATOM 326 O ILE A 22 -4.495 5.946 10.067 1.00 0.00 O ATOM 327 CB ILE A 22 -4.751 5.131 7.065 1.00 0.00 C ATOM 328 CG1 ILE A 22 -3.285 5.073 6.612 1.00 0.00 C ATOM 329 CG2 ILE A 22 -5.157 6.587 7.312 1.00 0.00 C ATOM 330 CD1 ILE A 22 -3.049 3.794 5.805 1.00 0.00 C ATOM 0 H ILE A 22 -6.968 4.685 8.022 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.575 3.300 8.186 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.385 4.709 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.046 5.947 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.624 5.096 7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.029 7.161 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.201 6.626 7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.530 7.012 8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.008 3.753 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.271 2.926 6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.699 3.791 4.930 1.00 0.00 H new ATOM 342 N THR A 23 -2.979 4.307 9.789 1.00 0.00 N ATOM 343 CA THR A 23 -2.105 4.789 10.853 1.00 0.00 C ATOM 344 C THR A 23 -0.791 5.287 10.265 1.00 0.00 C ATOM 345 O THR A 23 -0.379 4.844 9.194 1.00 0.00 O ATOM 346 CB THR A 23 -1.832 3.658 11.851 1.00 0.00 C ATOM 347 OG1 THR A 23 -0.969 2.699 11.258 1.00 0.00 O ATOM 348 CG2 THR A 23 -3.150 2.984 12.235 1.00 0.00 C ATOM 0 H THR A 23 -2.646 3.467 9.317 1.00 0.00 H new ATOM 0 HA THR A 23 -2.596 5.614 11.369 1.00 0.00 H new ATOM 0 HB THR A 23 -1.361 4.071 12.743 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.794 1.977 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.954 2.180 12.945 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.814 3.718 12.692 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.622 2.573 11.343 1.00 0.00 H new ATOM 356 N GLU A 24 -0.135 6.204 10.972 1.00 0.00 N ATOM 357 CA GLU A 24 1.138 6.747 10.506 1.00 0.00 C ATOM 358 C GLU A 24 2.071 5.607 10.104 1.00 0.00 C ATOM 359 O GLU A 24 2.766 5.684 9.089 1.00 0.00 O ATOM 360 CB GLU A 24 1.794 7.591 11.605 1.00 0.00 C ATOM 361 CG GLU A 24 0.766 8.567 12.202 1.00 0.00 C ATOM 362 CD GLU A 24 0.009 7.928 13.373 1.00 0.00 C ATOM 363 OE1 GLU A 24 0.302 6.790 13.710 1.00 0.00 O ATOM 364 OE2 GLU A 24 -0.857 8.593 13.918 1.00 0.00 O ATOM 0 H GLU A 24 -0.460 6.584 11.861 1.00 0.00 H new ATOM 0 HA GLU A 24 0.951 7.383 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.188 6.942 12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.638 8.145 11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.273 9.470 12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.058 8.871 11.431 1.00 0.00 H new ATOM 371 N GLU A 25 2.061 4.544 10.907 1.00 0.00 N ATOM 372 CA GLU A 25 2.889 3.372 10.640 1.00 0.00 C ATOM 373 C GLU A 25 2.524 2.759 9.290 1.00 0.00 C ATOM 374 O GLU A 25 3.392 2.507 8.455 1.00 0.00 O ATOM 375 CB GLU A 25 2.688 2.334 11.749 1.00 0.00 C ATOM 376 CG GLU A 25 3.890 1.387 11.799 1.00 0.00 C ATOM 377 CD GLU A 25 3.717 0.385 12.936 1.00 0.00 C ATOM 378 OE1 GLU A 25 3.078 -0.630 12.713 1.00 0.00 O ATOM 379 OE2 GLU A 25 4.224 0.648 14.014 1.00 0.00 O ATOM 0 H GLU A 25 1.488 4.472 11.748 1.00 0.00 H new ATOM 0 HA GLU A 25 3.934 3.680 10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.568 2.834 12.710 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.775 1.767 11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.988 0.860 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.807 1.958 11.943 1.00 0.00 H new ATOM 386 N GLU A 26 1.228 2.520 9.089 1.00 0.00 N ATOM 387 CA GLU A 26 0.744 1.932 7.843 1.00 0.00 C ATOM 388 C GLU A 26 1.022 2.860 6.667 1.00 0.00 C ATOM 389 O GLU A 26 1.518 2.427 5.628 1.00 0.00 O ATOM 390 CB GLU A 26 -0.763 1.675 7.938 1.00 0.00 C ATOM 391 CG GLU A 26 -1.025 0.424 8.783 1.00 0.00 C ATOM 392 CD GLU A 26 -2.515 0.090 8.774 1.00 0.00 C ATOM 393 OE1 GLU A 26 -3.310 0.992 8.991 1.00 0.00 O ATOM 394 OE2 GLU A 26 -2.840 -1.065 8.553 1.00 0.00 O ATOM 0 H GLU A 26 0.498 2.724 9.771 1.00 0.00 H new ATOM 0 HA GLU A 26 1.269 0.990 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.261 2.536 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.182 1.545 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.453 -0.417 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.687 0.589 9.806 1.00 0.00 H new ATOM 401 N LYS A 27 0.693 4.138 6.838 1.00 0.00 N ATOM 402 CA LYS A 27 0.903 5.127 5.785 1.00 0.00 C ATOM 403 C LYS A 27 2.334 5.052 5.257 1.00 0.00 C ATOM 404 O LYS A 27 2.558 5.061 4.045 1.00 0.00 O ATOM 405 CB LYS A 27 0.621 6.533 6.327 1.00 0.00 C ATOM 406 CG LYS A 27 -0.063 7.375 5.246 1.00 0.00 C ATOM 407 CD LYS A 27 -0.375 8.769 5.800 1.00 0.00 C ATOM 408 CE LYS A 27 -1.479 9.421 4.964 1.00 0.00 C ATOM 409 NZ LYS A 27 -2.811 9.030 5.506 1.00 0.00 N ATOM 0 H LYS A 27 0.281 4.512 7.693 1.00 0.00 H new ATOM 0 HA LYS A 27 0.218 4.913 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.015 6.472 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.552 7.008 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.583 7.456 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.982 6.889 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.689 8.695 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.522 9.388 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.371 10.506 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.393 9.110 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.504 8.995 4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.743 8.093 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.117 9.729 6.213 1.00 0.00 H new ATOM 423 N ALA A 28 3.297 4.964 6.173 1.00 0.00 N ATOM 424 CA ALA A 28 4.702 4.874 5.786 1.00 0.00 C ATOM 425 C ALA A 28 4.939 3.610 4.964 1.00 0.00 C ATOM 426 O ALA A 28 5.649 3.635 3.960 1.00 0.00 O ATOM 427 CB ALA A 28 5.587 4.852 7.035 1.00 0.00 C ATOM 0 H ALA A 28 3.132 4.953 7.179 1.00 0.00 H new ATOM 0 HA ALA A 28 4.957 5.744 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.634 4.785 6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.430 5.766 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.328 3.990 7.649 1.00 0.00 H new ATOM 433 N GLU A 29 4.336 2.508 5.403 1.00 0.00 N ATOM 434 CA GLU A 29 4.475 1.231 4.705 1.00 0.00 C ATOM 435 C GLU A 29 3.984 1.343 3.261 1.00 0.00 C ATOM 436 O GLU A 29 4.726 1.055 2.320 1.00 0.00 O ATOM 437 CB GLU A 29 3.675 0.149 5.438 1.00 0.00 C ATOM 438 CG GLU A 29 3.960 -1.224 4.814 1.00 0.00 C ATOM 439 CD GLU A 29 5.443 -1.572 4.938 1.00 0.00 C ATOM 440 OE1 GLU A 29 5.981 -1.433 6.025 1.00 0.00 O ATOM 441 OE2 GLU A 29 6.019 -1.979 3.942 1.00 0.00 O ATOM 0 H GLU A 29 3.748 2.472 6.236 1.00 0.00 H new ATOM 0 HA GLU A 29 5.531 0.960 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.942 0.140 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.609 0.370 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.359 -1.987 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.668 -1.220 3.764 1.00 0.00 H new ATOM 448 N GLN A 30 2.726 1.753 3.101 1.00 0.00 N ATOM 449 CA GLN A 30 2.124 1.897 1.773 1.00 0.00 C ATOM 450 C GLN A 30 3.034 2.685 0.832 1.00 0.00 C ATOM 451 O GLN A 30 3.129 2.373 -0.356 1.00 0.00 O ATOM 452 CB GLN A 30 0.770 2.609 1.885 1.00 0.00 C ATOM 453 CG GLN A 30 -0.065 1.971 3.002 1.00 0.00 C ATOM 454 CD GLN A 30 -1.524 1.857 2.571 1.00 0.00 C ATOM 455 OE1 GLN A 30 -2.402 2.476 3.173 1.00 0.00 O ATOM 456 NE2 GLN A 30 -1.838 1.095 1.559 1.00 0.00 N ATOM 0 H GLN A 30 2.103 1.991 3.873 1.00 0.00 H new ATOM 0 HA GLN A 30 1.984 0.898 1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.922 3.668 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.236 2.544 0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.329 0.983 3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.008 2.572 3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.110 0.583 1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.811 1.012 1.266 1.00 0.00 H new ATOM 465 N GLN A 31 3.695 3.709 1.369 1.00 0.00 N ATOM 466 CA GLN A 31 4.590 4.544 0.568 1.00 0.00 C ATOM 467 C GLN A 31 5.660 3.694 -0.118 1.00 0.00 C ATOM 468 O GLN A 31 6.011 3.942 -1.273 1.00 0.00 O ATOM 469 CB GLN A 31 5.261 5.593 1.461 1.00 0.00 C ATOM 470 CG GLN A 31 6.156 6.502 0.613 1.00 0.00 C ATOM 471 CD GLN A 31 6.577 7.725 1.423 1.00 0.00 C ATOM 472 OE1 GLN A 31 7.768 7.997 1.565 1.00 0.00 O ATOM 473 NE2 GLN A 31 5.662 8.482 1.964 1.00 0.00 N ATOM 0 H GLN A 31 3.629 3.980 2.350 1.00 0.00 H new ATOM 0 HA GLN A 31 3.998 5.042 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.503 6.187 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.854 5.101 2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.038 5.953 0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.623 6.816 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.675 8.254 1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.934 9.302 2.506 1.00 0.00 H new ATOM 482 N LYS A 32 6.174 2.698 0.598 1.00 0.00 N ATOM 483 CA LYS A 32 7.205 1.818 0.050 1.00 0.00 C ATOM 484 C LYS A 32 6.695 1.100 -1.198 1.00 0.00 C ATOM 485 O LYS A 32 7.324 1.150 -2.256 1.00 0.00 O ATOM 486 CB LYS A 32 7.624 0.781 1.097 1.00 0.00 C ATOM 487 CG LYS A 32 8.177 1.486 2.340 1.00 0.00 C ATOM 488 CD LYS A 32 8.462 0.449 3.433 1.00 0.00 C ATOM 489 CE LYS A 32 8.888 1.157 4.722 1.00 0.00 C ATOM 490 NZ LYS A 32 9.032 0.154 5.816 1.00 0.00 N ATOM 0 H LYS A 32 5.896 2.480 1.555 1.00 0.00 H new ATOM 0 HA LYS A 32 8.065 2.430 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.770 0.162 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.380 0.115 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.090 2.025 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.460 2.223 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.573 -0.154 3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.247 -0.232 3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.832 1.680 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.148 1.909 4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.321 0.635 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.122 -0.326 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.753 -0.547 5.551 1.00 0.00 H new ATOM 504 N LEU A 33 5.554 0.427 -1.062 1.00 0.00 N ATOM 505 CA LEU A 33 4.964 -0.305 -2.181 1.00 0.00 C ATOM 506 C LEU A 33 4.725 0.622 -3.372 1.00 0.00 C ATOM 507 O LEU A 33 5.115 0.312 -4.499 1.00 0.00 O ATOM 508 CB LEU A 33 3.639 -0.947 -1.754 1.00 0.00 C ATOM 509 CG LEU A 33 3.829 -1.729 -0.448 1.00 0.00 C ATOM 510 CD1 LEU A 33 2.539 -2.485 -0.115 1.00 0.00 C ATOM 511 CD2 LEU A 33 4.980 -2.731 -0.604 1.00 0.00 C ATOM 0 H LEU A 33 5.022 0.373 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 33 5.663 -1.085 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.880 -0.177 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.280 -1.614 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 33 4.065 -1.032 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.672 -3.041 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.721 -1.774 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.305 -3.178 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.110 -3.283 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.749 -3.427 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.899 -2.195 -0.840 1.00 0.00 H new ATOM 523 N ARG A 34 4.084 1.760 -3.113 1.00 0.00 N ATOM 524 CA ARG A 34 3.800 2.726 -4.172 1.00 0.00 C ATOM 525 C ARG A 34 5.094 3.175 -4.841 1.00 0.00 C ATOM 526 O ARG A 34 5.148 3.357 -6.059 1.00 0.00 O ATOM 527 CB ARG A 34 3.067 3.940 -3.593 1.00 0.00 C ATOM 528 CG ARG A 34 2.611 4.858 -4.733 1.00 0.00 C ATOM 529 CD ARG A 34 1.965 6.119 -4.155 1.00 0.00 C ATOM 530 NE ARG A 34 0.536 5.900 -3.936 1.00 0.00 N ATOM 531 CZ ARG A 34 -0.331 6.911 -3.941 1.00 0.00 C ATOM 532 NH1 ARG A 34 0.083 8.134 -4.143 1.00 0.00 N ATOM 533 NH2 ARG A 34 -1.600 6.679 -3.745 1.00 0.00 N ATOM 0 H ARG A 34 3.754 2.034 -2.188 1.00 0.00 H new ATOM 0 HA ARG A 34 3.165 2.247 -4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.206 3.613 -3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.724 4.485 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.462 5.128 -5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.900 4.334 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.448 6.385 -3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.112 6.957 -4.837 1.00 0.00 H new ATOM 0 HE ARG A 34 0.196 4.952 -3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.074 8.318 -4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.585 8.905 -4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.926 5.725 -3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.266 7.451 -3.748 1.00 0.00 H new ATOM 547 N GLN A 35 6.138 3.346 -4.034 1.00 0.00 N ATOM 548 CA GLN A 35 7.436 3.768 -4.549 1.00 0.00 C ATOM 549 C GLN A 35 7.967 2.742 -5.543 1.00 0.00 C ATOM 550 O GLN A 35 8.518 3.099 -6.585 1.00 0.00 O ATOM 551 CB GLN A 35 8.427 3.930 -3.391 1.00 0.00 C ATOM 552 CG GLN A 35 9.731 4.548 -3.903 1.00 0.00 C ATOM 553 CD GLN A 35 10.515 5.150 -2.741 1.00 0.00 C ATOM 554 OE1 GLN A 35 10.004 6.014 -2.029 1.00 0.00 O ATOM 555 NE2 GLN A 35 11.731 4.743 -2.505 1.00 0.00 N ATOM 0 H GLN A 35 6.110 3.199 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 35 7.319 4.724 -5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.994 4.563 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.628 2.961 -2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.332 3.788 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.512 5.318 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.153 4.027 -3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.260 5.141 -1.729 1.00 0.00 H new