USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=5 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= 0 X(o=0,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ -134:sc= -0.0138 (180deg=-0.289) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.31) 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= -0.056 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.214) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.28 F(o=-1.5,f=-0.28) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc=-0.00643 (180deg=-0.259) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 50 N ASN A 4 -0.647 -11.314 -10.216 1.00 0.00 N ATOM 51 CA ASN A 4 0.162 -11.484 -9.017 1.00 0.00 C ATOM 52 C ASN A 4 -0.620 -11.110 -7.766 1.00 0.00 C ATOM 53 O ASN A 4 -1.313 -10.091 -7.735 1.00 0.00 O ATOM 54 CB ASN A 4 1.415 -10.612 -9.107 1.00 0.00 C ATOM 55 CG ASN A 4 2.257 -11.026 -10.310 1.00 0.00 C ATOM 56 OD1 ASN A 4 2.567 -12.206 -10.478 1.00 0.00 O ATOM 57 ND2 ASN A 4 2.649 -10.120 -11.162 1.00 0.00 N ATOM 0 HA ASN A 4 0.444 -12.535 -8.949 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.132 -9.563 -9.195 1.00 0.00 H new ATOM 0 HB3 ASN A 4 2.001 -10.708 -8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 4 3.213 -10.388 -11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.392 -9.143 -11.022 1.00 0.00 H new ATOM 64 N ALA A 5 -0.483 -11.930 -6.727 1.00 0.00 N ATOM 65 CA ALA A 5 -1.156 -11.668 -5.461 1.00 0.00 C ATOM 66 C ALA A 5 -0.634 -10.361 -4.869 1.00 0.00 C ATOM 67 O ALA A 5 -1.150 -9.867 -3.866 1.00 0.00 O ATOM 68 CB ALA A 5 -0.899 -12.817 -4.485 1.00 0.00 C ATOM 0 H ALA A 5 0.085 -12.777 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.229 -11.585 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.405 -12.613 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.281 -13.746 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.172 -12.912 -4.309 1.00 0.00 H new ATOM 74 N LYS A 6 0.395 -9.811 -5.513 1.00 0.00 N ATOM 75 CA LYS A 6 1.002 -8.563 -5.072 1.00 0.00 C ATOM 76 C LYS A 6 0.004 -7.420 -5.203 1.00 0.00 C ATOM 77 O LYS A 6 -0.287 -6.725 -4.230 1.00 0.00 O ATOM 78 CB LYS A 6 2.237 -8.262 -5.928 1.00 0.00 C ATOM 79 CG LYS A 6 3.079 -7.173 -5.257 1.00 0.00 C ATOM 80 CD LYS A 6 4.439 -7.072 -5.955 1.00 0.00 C ATOM 81 CE LYS A 6 5.348 -6.116 -5.178 1.00 0.00 C ATOM 82 NZ LYS A 6 4.757 -4.748 -5.184 1.00 0.00 N ATOM 0 H LYS A 6 0.825 -10.215 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 6 1.296 -8.662 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.831 -9.167 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.931 -7.937 -6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.561 -6.215 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.217 -7.405 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.900 -8.058 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.309 -6.715 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.469 -6.466 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.341 -6.096 -5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.495 -4.052 -5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.003 -4.699 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.359 -4.538 -4.246 1.00 0.00 H new ATOM 96 N ILE A 7 -0.518 -7.235 -6.412 1.00 0.00 N ATOM 97 CA ILE A 7 -1.490 -6.176 -6.653 1.00 0.00 C ATOM 98 C ILE A 7 -2.688 -6.351 -5.726 1.00 0.00 C ATOM 99 O ILE A 7 -3.174 -5.386 -5.138 1.00 0.00 O ATOM 100 CB ILE A 7 -1.941 -6.196 -8.122 1.00 0.00 C ATOM 101 CG1 ILE A 7 -0.932 -5.414 -8.972 1.00 0.00 C ATOM 102 CG2 ILE A 7 -3.323 -5.543 -8.257 1.00 0.00 C ATOM 103 CD1 ILE A 7 0.398 -6.172 -9.026 1.00 0.00 C ATOM 0 H ILE A 7 -0.287 -7.798 -7.231 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.025 -5.212 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.996 -7.230 -8.464 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.323 -5.274 -9.980 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.778 -4.421 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.634 -5.562 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.045 -6.092 -7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.273 -4.510 -7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.111 -5.612 -9.631 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.791 -6.289 -8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.239 -7.155 -9.469 1.00 0.00 H new ATOM 115 N ALA A 8 -3.149 -7.593 -5.595 1.00 0.00 N ATOM 116 CA ALA A 8 -4.286 -7.896 -4.732 1.00 0.00 C ATOM 117 C ALA A 8 -4.011 -7.436 -3.304 1.00 0.00 C ATOM 118 O ALA A 8 -4.896 -6.902 -2.633 1.00 0.00 O ATOM 119 CB ALA A 8 -4.562 -9.401 -4.743 1.00 0.00 C ATOM 0 H ALA A 8 -2.754 -8.402 -6.074 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.159 -7.364 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.412 -9.620 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.787 -9.722 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.684 -9.935 -4.380 1.00 0.00 H new ATOM 125 N ARG A 9 -2.776 -7.643 -2.848 1.00 0.00 N ATOM 126 CA ARG A 9 -2.387 -7.243 -1.499 1.00 0.00 C ATOM 127 C ARG A 9 -2.516 -5.730 -1.329 1.00 0.00 C ATOM 128 O ARG A 9 -3.437 -5.251 -0.669 1.00 0.00 O ATOM 129 CB ARG A 9 -0.944 -7.676 -1.213 1.00 0.00 C ATOM 130 CG ARG A 9 -0.641 -7.497 0.278 1.00 0.00 C ATOM 131 CD ARG A 9 0.866 -7.320 0.479 1.00 0.00 C ATOM 132 NE ARG A 9 1.150 -6.944 1.861 1.00 0.00 N ATOM 133 CZ ARG A 9 2.351 -6.499 2.226 1.00 0.00 C ATOM 134 NH1 ARG A 9 3.308 -6.396 1.344 1.00 0.00 N ATOM 135 NH2 ARG A 9 2.572 -6.165 3.468 1.00 0.00 N ATOM 0 H ARG A 9 -2.033 -8.083 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.054 -7.734 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.802 -8.718 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.250 -7.083 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.174 -6.629 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.993 -8.364 0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.384 -8.247 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.243 -6.554 -0.199 1.00 0.00 H new ATOM 0 HE ARG A 9 0.413 -7.024 2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.137 -6.657 0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.227 -6.055 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.825 -6.245 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.491 -5.824 3.749 1.00 0.00 H new ATOM 149 N ILE A 10 -1.582 -4.988 -1.926 1.00 0.00 N ATOM 150 CA ILE A 10 -1.589 -3.528 -1.836 1.00 0.00 C ATOM 151 C ILE A 10 -2.986 -2.972 -2.110 1.00 0.00 C ATOM 152 O ILE A 10 -3.423 -2.028 -1.453 1.00 0.00 O ATOM 153 CB ILE A 10 -0.592 -2.939 -2.841 1.00 0.00 C ATOM 154 CG1 ILE A 10 0.836 -3.306 -2.418 1.00 0.00 C ATOM 155 CG2 ILE A 10 -0.734 -1.413 -2.882 1.00 0.00 C ATOM 156 CD1 ILE A 10 1.781 -3.159 -3.614 1.00 0.00 C ATOM 0 H ILE A 10 -0.814 -5.373 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.297 -3.246 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.798 -3.346 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.162 -2.660 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.863 -4.329 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.023 -1.001 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.748 -1.150 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.533 -1.002 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.795 -3.420 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.459 -3.824 -4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.762 -2.128 -3.968 1.00 0.00 H new ATOM 168 N ASN A 11 -3.678 -3.567 -3.076 1.00 0.00 N ATOM 169 CA ASN A 11 -5.026 -3.126 -3.424 1.00 0.00 C ATOM 170 C ASN A 11 -5.944 -3.223 -2.206 1.00 0.00 C ATOM 171 O ASN A 11 -6.488 -2.219 -1.746 1.00 0.00 O ATOM 172 CB ASN A 11 -5.574 -3.989 -4.566 1.00 0.00 C ATOM 173 CG ASN A 11 -7.055 -3.701 -4.798 1.00 0.00 C ATOM 174 OD1 ASN A 11 -7.486 -2.549 -4.734 1.00 0.00 O ATOM 175 ND2 ASN A 11 -7.861 -4.688 -5.068 1.00 0.00 N ATOM 0 H ASN A 11 -3.332 -4.351 -3.629 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.987 -2.086 -3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.013 -3.791 -5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.436 -5.044 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.852 -4.508 -5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.501 -5.641 -5.120 1.00 0.00 H new ATOM 182 N GLU A 12 -6.105 -4.439 -1.688 1.00 0.00 N ATOM 183 CA GLU A 12 -6.953 -4.660 -0.521 1.00 0.00 C ATOM 184 C GLU A 12 -6.429 -3.884 0.685 1.00 0.00 C ATOM 185 O GLU A 12 -7.200 -3.251 1.408 1.00 0.00 O ATOM 186 CB GLU A 12 -7.004 -6.155 -0.186 1.00 0.00 C ATOM 187 CG GLU A 12 -8.248 -6.454 0.657 1.00 0.00 C ATOM 188 CD GLU A 12 -9.413 -6.854 -0.246 1.00 0.00 C ATOM 189 OE1 GLU A 12 -9.810 -6.040 -1.065 1.00 0.00 O ATOM 190 OE2 GLU A 12 -9.891 -7.968 -0.105 1.00 0.00 O ATOM 0 H GLU A 12 -5.662 -5.281 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.956 -4.305 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.025 -6.743 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.106 -6.446 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.034 -7.256 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.518 -5.576 1.244 1.00 0.00 H new ATOM 197 N LEU A 13 -5.115 -3.940 0.894 1.00 0.00 N ATOM 198 CA LEU A 13 -4.486 -3.246 2.017 1.00 0.00 C ATOM 199 C LEU A 13 -4.772 -1.748 1.954 1.00 0.00 C ATOM 200 O LEU A 13 -5.166 -1.140 2.949 1.00 0.00 O ATOM 201 CB LEU A 13 -2.968 -3.479 1.989 1.00 0.00 C ATOM 202 CG LEU A 13 -2.399 -3.448 3.414 1.00 0.00 C ATOM 203 CD1 LEU A 13 -0.895 -3.736 3.368 1.00 0.00 C ATOM 204 CD2 LEU A 13 -2.630 -2.068 4.041 1.00 0.00 C ATOM 0 H LEU A 13 -4.466 -4.458 0.302 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.901 -3.644 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.749 -4.440 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.487 -2.713 1.381 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.903 -4.205 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.489 -3.714 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.726 -4.720 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.398 -2.979 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.223 -2.055 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.132 -1.307 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.699 -1.859 4.077 1.00 0.00 H new ATOM 216 N ALA A 14 -4.561 -1.163 0.779 1.00 0.00 N ATOM 217 CA ALA A 14 -4.790 0.267 0.591 1.00 0.00 C ATOM 218 C ALA A 14 -6.197 0.658 1.030 1.00 0.00 C ATOM 219 O ALA A 14 -6.366 1.466 1.941 1.00 0.00 O ATOM 220 CB ALA A 14 -4.590 0.637 -0.882 1.00 0.00 C ATOM 0 H ALA A 14 -4.234 -1.653 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.073 0.810 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.762 1.705 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.571 0.393 -1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.294 0.076 -1.497 1.00 0.00 H new ATOM 226 N ALA A 15 -7.200 0.084 0.373 1.00 0.00 N ATOM 227 CA ALA A 15 -8.593 0.386 0.696 1.00 0.00 C ATOM 228 C ALA A 15 -8.918 0.014 2.142 1.00 0.00 C ATOM 229 O ALA A 15 -9.687 0.705 2.809 1.00 0.00 O ATOM 230 CB ALA A 15 -9.522 -0.380 -0.249 1.00 0.00 C ATOM 0 H ALA A 15 -7.077 -0.590 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.744 1.459 0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.559 -0.151 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.319 -0.084 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.351 -1.451 -0.139 1.00 0.00 H new ATOM 236 N LYS A 16 -8.328 -1.078 2.619 1.00 0.00 N ATOM 237 CA LYS A 16 -8.564 -1.529 3.987 1.00 0.00 C ATOM 238 C LYS A 16 -8.060 -0.492 4.982 1.00 0.00 C ATOM 239 O LYS A 16 -8.844 0.125 5.702 1.00 0.00 O ATOM 240 CB LYS A 16 -7.862 -2.868 4.239 1.00 0.00 C ATOM 241 CG LYS A 16 -8.191 -3.358 5.653 1.00 0.00 C ATOM 242 CD LYS A 16 -7.721 -4.805 5.824 1.00 0.00 C ATOM 243 CE LYS A 16 -8.164 -5.327 7.192 1.00 0.00 C ATOM 244 NZ LYS A 16 -7.524 -6.647 7.455 1.00 0.00 N ATOM 0 H LYS A 16 -7.687 -1.664 2.083 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.638 -1.660 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.185 -3.604 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.784 -2.753 4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.706 -2.719 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.264 -3.292 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.136 -5.429 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.636 -4.859 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.888 -4.616 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.249 -5.425 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.826 -7.000 8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.809 -7.324 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.490 -6.539 7.445 1.00 0.00 H new ATOM 258 N ALA A 17 -6.744 -0.310 5.011 1.00 0.00 N ATOM 259 CA ALA A 17 -6.129 0.652 5.914 1.00 0.00 C ATOM 260 C ALA A 17 -6.675 2.054 5.667 1.00 0.00 C ATOM 261 O ALA A 17 -6.580 2.920 6.533 1.00 0.00 O ATOM 262 CB ALA A 17 -4.611 0.653 5.718 1.00 0.00 C ATOM 0 H ALA A 17 -6.085 -0.816 4.420 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.366 0.361 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.157 1.375 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.216 -0.341 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.377 0.926 4.689 1.00 0.00 H new ATOM 268 N LYS A 18 -7.241 2.274 4.482 1.00 0.00 N ATOM 269 CA LYS A 18 -7.785 3.590 4.148 1.00 0.00 C ATOM 270 C LYS A 18 -9.216 3.741 4.661 1.00 0.00 C ATOM 271 O LYS A 18 -9.482 4.557 5.545 1.00 0.00 O ATOM 272 CB LYS A 18 -7.758 3.803 2.631 1.00 0.00 C ATOM 273 CG LYS A 18 -8.238 5.222 2.302 1.00 0.00 C ATOM 274 CD LYS A 18 -8.177 5.449 0.787 1.00 0.00 C ATOM 275 CE LYS A 18 -9.445 4.894 0.133 1.00 0.00 C ATOM 276 NZ LYS A 18 -9.473 5.288 -1.302 1.00 0.00 N ATOM 0 H LYS A 18 -7.335 1.572 3.748 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.163 4.343 4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.748 3.653 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.396 3.069 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.258 5.364 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.615 5.955 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.081 6.513 0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.297 4.959 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.469 3.808 0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.329 5.276 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.334 4.912 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.469 6.325 -1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.636 4.902 -1.784 1.00 0.00 H new ATOM 290 N ALA A 19 -10.133 2.963 4.095 1.00 0.00 N ATOM 291 CA ALA A 19 -11.537 3.031 4.492 1.00 0.00 C ATOM 292 C ALA A 19 -11.765 2.394 5.862 1.00 0.00 C ATOM 293 O ALA A 19 -12.876 2.438 6.393 1.00 0.00 O ATOM 294 CB ALA A 19 -12.402 2.320 3.450 1.00 0.00 C ATOM 0 H ALA A 19 -9.932 2.281 3.364 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.816 4.083 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.449 2.372 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.277 2.804 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.098 1.276 3.376 1.00 0.00 H new ATOM 300 N GLY A 20 -10.715 1.805 6.432 1.00 0.00 N ATOM 301 CA GLY A 20 -10.831 1.165 7.742 1.00 0.00 C ATOM 302 C GLY A 20 -10.285 2.064 8.846 1.00 0.00 C ATOM 303 O GLY A 20 -11.048 2.684 9.585 1.00 0.00 O ATOM 0 H GLY A 20 -9.786 1.757 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.876 0.931 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.288 0.220 7.737 1.00 0.00 H new ATOM 307 N VAL A 21 -8.957 2.131 8.943 1.00 0.00 N ATOM 308 CA VAL A 21 -8.298 2.956 9.956 1.00 0.00 C ATOM 309 C VAL A 21 -6.826 3.143 9.597 1.00 0.00 C ATOM 310 O VAL A 21 -5.975 2.345 9.992 1.00 0.00 O ATOM 311 CB VAL A 21 -8.403 2.304 11.347 1.00 0.00 C ATOM 312 CG1 VAL A 21 -9.758 2.631 11.982 1.00 0.00 C ATOM 313 CG2 VAL A 21 -8.251 0.783 11.224 1.00 0.00 C ATOM 0 H VAL A 21 -8.316 1.624 8.332 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.797 3.925 9.983 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.607 2.698 11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.821 2.165 12.965 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.860 3.711 12.085 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.558 2.250 11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.326 0.329 12.212 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.039 0.389 10.582 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.279 0.548 10.790 1.00 0.00 H new ATOM 323 N ILE A 22 -6.531 4.197 8.843 1.00 0.00 N ATOM 324 CA ILE A 22 -5.156 4.469 8.437 1.00 0.00 C ATOM 325 C ILE A 22 -4.310 4.865 9.645 1.00 0.00 C ATOM 326 O ILE A 22 -4.641 5.805 10.370 1.00 0.00 O ATOM 327 CB ILE A 22 -5.134 5.579 7.375 1.00 0.00 C ATOM 328 CG1 ILE A 22 -3.704 5.765 6.852 1.00 0.00 C ATOM 329 CG2 ILE A 22 -5.636 6.893 7.980 1.00 0.00 C ATOM 330 CD1 ILE A 22 -3.413 4.724 5.767 1.00 0.00 C ATOM 0 H ILE A 22 -7.217 4.871 8.503 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.730 3.563 8.006 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.787 5.295 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.582 6.770 6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.991 5.662 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.617 7.674 7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.656 6.762 8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.992 7.180 8.812 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.397 4.858 5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.517 3.723 6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.118 4.849 4.945 1.00 0.00 H new ATOM 342 N THR A 23 -3.219 4.132 9.856 1.00 0.00 N ATOM 343 CA THR A 23 -2.324 4.399 10.979 1.00 0.00 C ATOM 344 C THR A 23 -0.972 4.897 10.480 1.00 0.00 C ATOM 345 O THR A 23 -0.522 4.516 9.400 1.00 0.00 O ATOM 346 CB THR A 23 -2.121 3.120 11.800 1.00 0.00 C ATOM 347 OG1 THR A 23 -2.101 1.998 10.930 1.00 0.00 O ATOM 348 CG2 THR A 23 -3.259 2.966 12.810 1.00 0.00 C ATOM 0 H THR A 23 -2.934 3.351 9.266 1.00 0.00 H new ATOM 0 HA THR A 23 -2.777 5.169 11.604 1.00 0.00 H new ATOM 0 HB THR A 23 -1.174 3.182 12.336 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.970 1.180 11.454 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.110 2.056 13.390 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.270 3.826 13.480 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.210 2.907 12.280 1.00 0.00 H new ATOM 356 N GLU A 24 -0.328 5.745 11.280 1.00 0.00 N ATOM 357 CA GLU A 24 0.977 6.286 10.920 1.00 0.00 C ATOM 358 C GLU A 24 1.929 5.158 10.527 1.00 0.00 C ATOM 359 O GLU A 24 2.683 5.275 9.560 1.00 0.00 O ATOM 360 CB GLU A 24 1.559 7.066 12.103 1.00 0.00 C ATOM 361 CG GLU A 24 2.730 7.939 11.629 1.00 0.00 C ATOM 362 CD GLU A 24 2.239 9.007 10.651 1.00 0.00 C ATOM 363 OE1 GLU A 24 1.198 9.592 10.909 1.00 0.00 O ATOM 364 OE2 GLU A 24 2.914 9.226 9.657 1.00 0.00 O ATOM 0 H GLU A 24 -0.688 6.070 12.177 1.00 0.00 H new ATOM 0 HA GLU A 24 0.856 6.956 10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.787 7.691 12.553 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.899 6.374 12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.208 8.414 12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.484 7.316 11.148 1.00 0.00 H new ATOM 371 N GLU A 25 1.880 4.065 11.285 1.00 0.00 N ATOM 372 CA GLU A 25 2.731 2.911 11.016 1.00 0.00 C ATOM 373 C GLU A 25 2.459 2.364 9.616 1.00 0.00 C ATOM 374 O GLU A 25 3.386 2.156 8.829 1.00 0.00 O ATOM 375 CB GLU A 25 2.474 1.817 12.058 1.00 0.00 C ATOM 376 CG GLU A 25 3.050 2.247 13.413 1.00 0.00 C ATOM 377 CD GLU A 25 4.573 2.158 13.388 1.00 0.00 C ATOM 378 OE1 GLU A 25 5.084 1.053 13.473 1.00 0.00 O ATOM 379 OE2 GLU A 25 5.207 3.196 13.289 1.00 0.00 O ATOM 0 H GLU A 25 1.261 3.955 12.088 1.00 0.00 H new ATOM 0 HA GLU A 25 3.773 3.226 11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.404 1.633 12.149 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.932 0.881 11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.741 3.267 13.641 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.654 1.610 14.204 1.00 0.00 H new ATOM 386 N GLU A 26 1.182 2.141 9.308 1.00 0.00 N ATOM 387 CA GLU A 26 0.802 1.624 7.996 1.00 0.00 C ATOM 388 C GLU A 26 1.196 2.616 6.907 1.00 0.00 C ATOM 389 O GLU A 26 1.632 2.222 5.826 1.00 0.00 O ATOM 390 CB GLU A 26 -0.710 1.374 7.943 1.00 0.00 C ATOM 391 CG GLU A 26 -1.029 0.369 6.831 1.00 0.00 C ATOM 392 CD GLU A 26 -0.697 -1.050 7.289 1.00 0.00 C ATOM 393 OE1 GLU A 26 -1.395 -1.551 8.155 1.00 0.00 O ATOM 394 OE2 GLU A 26 0.249 -1.615 6.766 1.00 0.00 O ATOM 0 H GLU A 26 0.401 2.308 9.942 1.00 0.00 H new ATOM 0 HA GLU A 26 1.325 0.682 7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.059 0.992 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.237 2.311 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.084 0.435 6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.457 0.613 5.936 1.00 0.00 H new ATOM 401 N LYS A 27 1.047 3.905 7.209 1.00 0.00 N ATOM 402 CA LYS A 27 1.400 4.955 6.258 1.00 0.00 C ATOM 403 C LYS A 27 2.839 4.770 5.782 1.00 0.00 C ATOM 404 O LYS A 27 3.126 4.850 4.585 1.00 0.00 O ATOM 405 CB LYS A 27 1.246 6.331 6.918 1.00 0.00 C ATOM 406 CG LYS A 27 0.945 7.388 5.850 1.00 0.00 C ATOM 407 CD LYS A 27 -0.533 7.316 5.450 1.00 0.00 C ATOM 408 CE LYS A 27 -0.968 8.648 4.833 1.00 0.00 C ATOM 409 NZ LYS A 27 -0.109 8.959 3.657 1.00 0.00 N ATOM 0 H LYS A 27 0.686 4.245 8.100 1.00 0.00 H new ATOM 0 HA LYS A 27 0.731 4.892 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.442 6.304 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.159 6.592 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.180 8.381 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.576 7.225 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.687 6.507 4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.145 7.092 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.013 8.595 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.892 9.445 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.543 9.724 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.832 9.259 3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.015 8.111 3.062 1.00 0.00 H new ATOM 423 N ALA A 28 3.736 4.511 6.731 1.00 0.00 N ATOM 424 CA ALA A 28 5.143 4.303 6.410 1.00 0.00 C ATOM 425 C ALA A 28 5.303 3.091 5.493 1.00 0.00 C ATOM 426 O ALA A 28 6.061 3.129 4.525 1.00 0.00 O ATOM 427 CB ALA A 28 5.944 4.089 7.696 1.00 0.00 C ATOM 0 H ALA A 28 3.513 4.441 7.724 1.00 0.00 H new ATOM 0 HA ALA A 28 5.520 5.187 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.994 3.934 7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.847 4.967 8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.562 3.214 8.221 1.00 0.00 H new ATOM 433 N GLU A 29 4.578 2.020 5.807 1.00 0.00 N ATOM 434 CA GLU A 29 4.635 0.803 5.003 1.00 0.00 C ATOM 435 C GLU A 29 4.242 1.100 3.557 1.00 0.00 C ATOM 436 O GLU A 29 5.044 0.932 2.637 1.00 0.00 O ATOM 437 CB GLU A 29 3.689 -0.253 5.587 1.00 0.00 C ATOM 438 CG GLU A 29 3.860 -1.578 4.838 1.00 0.00 C ATOM 439 CD GLU A 29 2.783 -2.566 5.277 1.00 0.00 C ATOM 440 OE1 GLU A 29 2.845 -3.018 6.409 1.00 0.00 O ATOM 441 OE2 GLU A 29 1.908 -2.857 4.475 1.00 0.00 O ATOM 0 H GLU A 29 3.948 1.970 6.608 1.00 0.00 H new ATOM 0 HA GLU A 29 5.657 0.423 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.899 -0.395 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.657 0.088 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.794 -1.409 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.848 -1.993 5.036 1.00 0.00 H new ATOM 448 N GLN A 30 2.996 1.536 3.372 1.00 0.00 N ATOM 449 CA GLN A 30 2.480 1.855 2.042 1.00 0.00 C ATOM 450 C GLN A 30 3.428 2.782 1.283 1.00 0.00 C ATOM 451 O GLN A 30 3.434 2.796 0.054 1.00 0.00 O ATOM 452 CB GLN A 30 1.105 2.526 2.160 1.00 0.00 C ATOM 453 CG GLN A 30 0.217 1.728 3.120 1.00 0.00 C ATOM 454 CD GLN A 30 -1.159 1.506 2.500 1.00 0.00 C ATOM 455 OE1 GLN A 30 -1.406 0.396 1.861 1.00 0.00 O flip ATOM 456 NE2 GLN A 30 -2.034 2.366 2.602 1.00 0.00 N flip ATOM 0 H GLN A 30 2.325 1.676 4.127 1.00 0.00 H new ATOM 0 HA GLN A 30 2.392 0.921 1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.219 3.548 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.634 2.585 1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.682 0.768 3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.117 2.263 4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.840 3.234 3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.953 2.211 2.187 1.00 0.00 H new ATOM 465 N GLN A 31 4.217 3.562 2.019 1.00 0.00 N ATOM 466 CA GLN A 31 5.153 4.496 1.395 1.00 0.00 C ATOM 467 C GLN A 31 6.075 3.775 0.413 1.00 0.00 C ATOM 468 O GLN A 31 6.154 4.146 -0.759 1.00 0.00 O ATOM 469 CB GLN A 31 5.998 5.188 2.472 1.00 0.00 C ATOM 470 CG GLN A 31 6.676 6.425 1.880 1.00 0.00 C ATOM 471 CD GLN A 31 7.581 7.070 2.925 1.00 0.00 C ATOM 472 OE1 GLN A 31 7.095 7.630 3.908 1.00 0.00 O ATOM 473 NE2 GLN A 31 8.876 7.028 2.770 1.00 0.00 N ATOM 0 H GLN A 31 4.228 3.567 3.039 1.00 0.00 H new ATOM 0 HA GLN A 31 4.574 5.239 0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.368 5.475 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.750 4.499 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.260 6.146 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.923 7.139 1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.277 6.564 1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.487 7.459 3.464 1.00 0.00 H new ATOM 482 N LYS A 32 6.773 2.752 0.899 1.00 0.00 N ATOM 483 CA LYS A 32 7.693 1.990 0.056 1.00 0.00 C ATOM 484 C LYS A 32 6.955 1.339 -1.112 1.00 0.00 C ATOM 485 O LYS A 32 7.299 1.559 -2.274 1.00 0.00 O ATOM 486 CB LYS A 32 8.390 0.910 0.889 1.00 0.00 C ATOM 487 CG LYS A 32 9.492 0.250 0.051 1.00 0.00 C ATOM 488 CD LYS A 32 10.286 -0.728 0.921 1.00 0.00 C ATOM 489 CE LYS A 32 11.084 -1.682 0.027 1.00 0.00 C ATOM 490 NZ LYS A 32 11.931 -0.894 -0.914 1.00 0.00 N ATOM 0 H LYS A 32 6.721 2.432 1.866 1.00 0.00 H new ATOM 0 HA LYS A 32 8.436 2.679 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.818 1.350 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.667 0.162 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.052 -0.276 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.157 1.011 -0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.961 -0.180 1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.608 -1.294 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.710 -2.332 0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.405 -2.327 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.701 -1.494 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.350 -0.563 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.334 -0.075 -0.416 1.00 0.00 H new ATOM 504 N LEU A 33 5.947 0.530 -0.793 1.00 0.00 N ATOM 505 CA LEU A 33 5.170 -0.160 -1.821 1.00 0.00 C ATOM 506 C LEU A 33 4.600 0.831 -2.833 1.00 0.00 C ATOM 507 O LEU A 33 4.728 0.633 -4.040 1.00 0.00 O ATOM 508 CB LEU A 33 4.030 -0.953 -1.174 1.00 0.00 C ATOM 509 CG LEU A 33 4.608 -2.038 -0.258 1.00 0.00 C ATOM 510 CD1 LEU A 33 3.495 -2.612 0.624 1.00 0.00 C ATOM 511 CD2 LEU A 33 5.212 -3.161 -1.110 1.00 0.00 C ATOM 0 H LEU A 33 5.650 0.337 0.163 1.00 0.00 H new ATOM 0 HA LEU A 33 5.835 -0.845 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.389 -0.284 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.408 -1.408 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 33 5.383 -1.602 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.908 -3.383 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.066 -1.816 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.719 -3.046 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.623 -3.932 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.437 -3.595 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.006 -2.755 -1.737 1.00 0.00 H new ATOM 523 N ARG A 34 3.974 1.895 -2.335 1.00 0.00 N ATOM 524 CA ARG A 34 3.390 2.910 -3.209 1.00 0.00 C ATOM 525 C ARG A 34 4.463 3.527 -4.101 1.00 0.00 C ATOM 526 O ARG A 34 4.245 3.743 -5.293 1.00 0.00 O ATOM 527 CB ARG A 34 2.726 4.009 -2.375 1.00 0.00 C ATOM 528 CG ARG A 34 2.059 5.029 -3.304 1.00 0.00 C ATOM 529 CD ARG A 34 0.899 5.712 -2.572 1.00 0.00 C ATOM 530 NE ARG A 34 1.401 6.504 -1.451 1.00 0.00 N ATOM 531 CZ ARG A 34 1.987 7.685 -1.641 1.00 0.00 C ATOM 532 NH1 ARG A 34 2.134 8.161 -2.848 1.00 0.00 N ATOM 533 NH2 ARG A 34 2.418 8.369 -0.618 1.00 0.00 N ATOM 0 H ARG A 34 3.858 2.076 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 34 2.638 2.430 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.985 3.573 -1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.469 4.504 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.787 5.773 -3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.693 4.532 -4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.352 6.353 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.197 4.961 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 34 1.300 6.144 -0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.799 7.628 -3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.583 9.066 -2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.306 8.000 0.326 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.867 9.274 -0.762 1.00 0.00 H new ATOM 547 N GLN A 35 5.626 3.803 -3.513 1.00 0.00 N ATOM 548 CA GLN A 35 6.733 4.394 -4.261 1.00 0.00 C ATOM 549 C GLN A 35 7.162 3.460 -5.390 1.00 0.00 C ATOM 550 O GLN A 35 7.302 3.882 -6.540 1.00 0.00 O ATOM 551 CB GLN A 35 7.915 4.648 -3.322 1.00 0.00 C ATOM 552 CG GLN A 35 9.022 5.395 -4.072 1.00 0.00 C ATOM 553 CD GLN A 35 10.083 5.877 -3.089 1.00 0.00 C ATOM 554 OE1 GLN A 35 10.888 5.084 -2.602 1.00 0.00 O ATOM 555 NE2 GLN A 35 10.133 7.142 -2.767 1.00 0.00 N ATOM 0 H GLN A 35 5.825 3.628 -2.528 1.00 0.00 H new ATOM 0 HA GLN A 35 6.404 5.340 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.589 5.232 -2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.297 3.702 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.475 4.740 -4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.600 6.244 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.465 7.798 -3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.840 7.474 -2.111 1.00 0.00 H new