USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=1 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= 0.00389 K(o=0.0039,f=-4.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -5.12! C(o=-5.1!,f=-6.7!) 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 -152:sc= -0.005 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.5!) USER MOD Single : A 31 GLN : amide:sc= -0.994 K(o=-0.99,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 50 N ASN A 4 -0.415 -10.203 -9.993 1.00 0.00 N ATOM 51 CA ASN A 4 -0.873 -11.386 -9.267 1.00 0.00 C ATOM 52 C ASN A 4 -1.584 -10.984 -7.973 1.00 0.00 C ATOM 53 O ASN A 4 -2.130 -9.884 -7.871 1.00 0.00 O ATOM 54 CB ASN A 4 0.322 -12.293 -8.952 1.00 0.00 C ATOM 55 CG ASN A 4 1.332 -11.554 -8.080 1.00 0.00 C ATOM 56 OD1 ASN A 4 1.293 -11.660 -6.854 1.00 0.00 O ATOM 57 ND2 ASN A 4 2.241 -10.807 -8.644 1.00 0.00 N ATOM 0 HA ASN A 4 -1.582 -11.928 -9.893 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.020 -13.193 -8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.798 -12.614 -9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 4 2.921 -10.310 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 4 2.272 -10.721 -9.660 1.00 0.00 H new ATOM 64 N ALA A 5 -1.579 -11.886 -6.994 1.00 0.00 N ATOM 65 CA ALA A 5 -2.228 -11.627 -5.710 1.00 0.00 C ATOM 66 C ALA A 5 -1.627 -10.402 -5.022 1.00 0.00 C ATOM 67 O ALA A 5 -2.198 -9.879 -4.063 1.00 0.00 O ATOM 68 CB ALA A 5 -2.078 -12.848 -4.801 1.00 0.00 C ATOM 0 H ALA A 5 -1.134 -12.801 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.284 -11.431 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.563 -12.651 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.544 -13.713 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.020 -13.051 -4.636 1.00 0.00 H new ATOM 74 N LYS A 6 -0.476 -9.947 -5.515 1.00 0.00 N ATOM 75 CA LYS A 6 0.185 -8.782 -4.934 1.00 0.00 C ATOM 76 C LYS A 6 -0.644 -7.527 -5.182 1.00 0.00 C ATOM 77 O LYS A 6 -0.818 -6.699 -4.285 1.00 0.00 O ATOM 78 CB LYS A 6 1.582 -8.613 -5.542 1.00 0.00 C ATOM 79 CG LYS A 6 2.604 -9.366 -4.683 1.00 0.00 C ATOM 80 CD LYS A 6 3.928 -9.497 -5.443 1.00 0.00 C ATOM 81 CE LYS A 6 4.549 -8.112 -5.651 1.00 0.00 C ATOM 82 NZ LYS A 6 5.986 -8.264 -6.015 1.00 0.00 N ATOM 0 H LYS A 6 0.013 -10.363 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 6 0.281 -8.934 -3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.596 -8.996 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.843 -7.556 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.764 -8.836 -3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.221 -10.354 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.616 -10.134 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.758 -9.978 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.018 -7.577 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.453 -7.518 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.409 -7.325 -6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.488 -8.758 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.065 -8.815 -6.893 1.00 0.00 H new ATOM 96 N ILE A 7 -1.167 -7.399 -6.399 1.00 0.00 N ATOM 97 CA ILE A 7 -1.995 -6.248 -6.748 1.00 0.00 C ATOM 98 C ILE A 7 -3.173 -6.151 -5.784 1.00 0.00 C ATOM 99 O ILE A 7 -3.478 -5.077 -5.261 1.00 0.00 O ATOM 100 CB ILE A 7 -2.512 -6.385 -8.186 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.337 -6.653 -9.140 1.00 0.00 C ATOM 102 CG2 ILE A 7 -3.229 -5.097 -8.609 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.225 -5.624 -8.908 1.00 0.00 C ATOM 0 H ILE A 7 -1.034 -8.072 -7.154 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.392 -5.343 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.212 -7.219 -8.231 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.951 -7.660 -8.980 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.679 -6.603 -10.174 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.593 -5.202 -9.631 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.070 -4.913 -7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.534 -4.259 -8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.603 -5.823 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.613 -4.622 -9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.127 -5.694 -7.879 1.00 0.00 H new ATOM 115 N ALA A 8 -3.822 -7.289 -5.551 1.00 0.00 N ATOM 116 CA ALA A 8 -4.961 -7.339 -4.644 1.00 0.00 C ATOM 117 C ALA A 8 -4.549 -6.872 -3.254 1.00 0.00 C ATOM 118 O ALA A 8 -5.310 -6.188 -2.571 1.00 0.00 O ATOM 119 CB ALA A 8 -5.510 -8.765 -4.569 1.00 0.00 C ATOM 0 H ALA A 8 -3.579 -8.184 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.738 -6.676 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.361 -8.792 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.828 -9.085 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.732 -9.436 -4.204 1.00 0.00 H new ATOM 125 N ARG A 9 -3.337 -7.240 -2.844 1.00 0.00 N ATOM 126 CA ARG A 9 -2.831 -6.847 -1.534 1.00 0.00 C ATOM 127 C ARG A 9 -2.813 -5.328 -1.410 1.00 0.00 C ATOM 128 O ARG A 9 -3.288 -4.772 -0.421 1.00 0.00 O ATOM 129 CB ARG A 9 -1.416 -7.395 -1.330 1.00 0.00 C ATOM 130 CG ARG A 9 -1.097 -7.459 0.168 1.00 0.00 C ATOM 131 CD ARG A 9 0.417 -7.554 0.369 1.00 0.00 C ATOM 132 NE ARG A 9 0.923 -8.809 -0.182 1.00 0.00 N ATOM 133 CZ ARG A 9 2.044 -9.366 0.273 1.00 0.00 C ATOM 134 NH1 ARG A 9 2.725 -8.789 1.225 1.00 0.00 N ATOM 135 NH2 ARG A 9 2.464 -10.492 -0.237 1.00 0.00 N ATOM 0 H ARG A 9 -2.692 -7.806 -3.396 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.489 -7.260 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.333 -8.388 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.692 -6.758 -1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.485 -6.573 0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.588 -8.322 0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.909 -6.711 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.654 -7.493 1.431 1.00 0.00 H new ATOM 0 HE ARG A 9 0.406 -9.269 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.399 -7.908 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.583 -9.219 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.934 -10.943 -0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.322 -10.920 0.110 1.00 0.00 H new ATOM 149 N ILE A 10 -2.262 -4.664 -2.424 1.00 0.00 N ATOM 150 CA ILE A 10 -2.187 -3.207 -2.425 1.00 0.00 C ATOM 151 C ILE A 10 -3.564 -2.602 -2.154 1.00 0.00 C ATOM 152 O ILE A 10 -3.754 -1.893 -1.165 1.00 0.00 O ATOM 153 CB ILE A 10 -1.655 -2.706 -3.775 1.00 0.00 C ATOM 154 CG1 ILE A 10 -0.178 -3.096 -3.920 1.00 0.00 C ATOM 155 CG2 ILE A 10 -1.787 -1.181 -3.852 1.00 0.00 C ATOM 156 CD1 ILE A 10 0.251 -2.960 -5.385 1.00 0.00 C ATOM 0 H ILE A 10 -1.863 -5.110 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.504 -2.895 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.235 -3.160 -4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.440 -2.457 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.028 -4.121 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.408 -0.831 -4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.836 -0.901 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.211 -0.725 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.300 -3.238 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.358 -3.617 -6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.117 -1.928 -5.709 1.00 0.00 H new ATOM 168 N ASN A 11 -4.517 -2.884 -3.043 1.00 0.00 N ATOM 169 CA ASN A 11 -5.871 -2.354 -2.892 1.00 0.00 C ATOM 170 C ASN A 11 -6.529 -2.867 -1.608 1.00 0.00 C ATOM 171 O ASN A 11 -7.254 -2.131 -0.939 1.00 0.00 O ATOM 172 CB ASN A 11 -6.722 -2.722 -4.122 1.00 0.00 C ATOM 173 CG ASN A 11 -7.376 -4.092 -3.962 1.00 0.00 C ATOM 174 OD1 ASN A 11 -8.203 -4.294 -3.071 1.00 0.00 O ATOM 175 ND2 ASN A 11 -7.070 -5.045 -4.794 1.00 0.00 N ATOM 0 H ASN A 11 -4.378 -3.470 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.806 -1.268 -2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.492 -1.966 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.095 -2.719 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.515 -5.959 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.386 -4.878 -5.532 1.00 0.00 H new ATOM 182 N GLU A 12 -6.277 -4.132 -1.274 1.00 0.00 N ATOM 183 CA GLU A 12 -6.858 -4.727 -0.072 1.00 0.00 C ATOM 184 C GLU A 12 -6.396 -3.983 1.176 1.00 0.00 C ATOM 185 O GLU A 12 -7.212 -3.455 1.931 1.00 0.00 O ATOM 186 CB GLU A 12 -6.462 -6.204 0.033 1.00 0.00 C ATOM 187 CG GLU A 12 -7.149 -6.837 1.246 1.00 0.00 C ATOM 188 CD GLU A 12 -6.884 -8.339 1.269 1.00 0.00 C ATOM 189 OE1 GLU A 12 -5.861 -8.731 1.807 1.00 0.00 O ATOM 190 OE2 GLU A 12 -7.706 -9.075 0.748 1.00 0.00 O ATOM 0 H GLU A 12 -5.680 -4.759 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.943 -4.649 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.748 -6.733 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.380 -6.295 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.779 -6.380 2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.222 -6.649 1.206 1.00 0.00 H new ATOM 197 N LEU A 13 -5.080 -3.947 1.382 1.00 0.00 N ATOM 198 CA LEU A 13 -4.509 -3.269 2.541 1.00 0.00 C ATOM 199 C LEU A 13 -4.921 -1.800 2.559 1.00 0.00 C ATOM 200 O LEU A 13 -5.160 -1.229 3.623 1.00 0.00 O ATOM 201 CB LEU A 13 -2.977 -3.376 2.512 1.00 0.00 C ATOM 202 CG LEU A 13 -2.453 -3.745 3.905 1.00 0.00 C ATOM 203 CD1 LEU A 13 -0.949 -4.024 3.827 1.00 0.00 C ATOM 204 CD2 LEU A 13 -2.706 -2.584 4.875 1.00 0.00 C ATOM 0 H LEU A 13 -4.393 -4.378 0.763 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.887 -3.751 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.670 -4.130 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.544 -2.429 2.190 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.972 -4.635 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.576 -4.286 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.767 -4.850 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.432 -3.134 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.333 -2.849 5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.189 -1.693 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.776 -2.384 4.932 1.00 0.00 H new ATOM 216 N ALA A 14 -5.011 -1.196 1.376 1.00 0.00 N ATOM 217 CA ALA A 14 -5.402 0.206 1.269 1.00 0.00 C ATOM 218 C ALA A 14 -6.742 0.441 1.964 1.00 0.00 C ATOM 219 O ALA A 14 -6.819 1.175 2.950 1.00 0.00 O ATOM 220 CB ALA A 14 -5.506 0.611 -0.204 1.00 0.00 C ATOM 0 H ALA A 14 -4.820 -1.653 0.484 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.641 0.815 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.798 1.659 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.540 0.471 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.254 -0.008 -0.700 1.00 0.00 H new ATOM 226 N ALA A 15 -7.791 -0.195 1.446 1.00 0.00 N ATOM 227 CA ALA A 15 -9.125 -0.056 2.025 1.00 0.00 C ATOM 228 C ALA A 15 -9.154 -0.596 3.454 1.00 0.00 C ATOM 229 O ALA A 15 -9.868 -0.074 4.310 1.00 0.00 O ATOM 230 CB ALA A 15 -10.147 -0.811 1.172 1.00 0.00 C ATOM 0 H ALA A 15 -7.744 -0.808 0.632 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.380 1.004 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.139 -0.702 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.150 -0.402 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.881 -1.867 1.135 1.00 0.00 H new ATOM 236 N LYS A 16 -8.363 -1.639 3.705 1.00 0.00 N ATOM 237 CA LYS A 16 -8.295 -2.235 5.034 1.00 0.00 C ATOM 238 C LYS A 16 -7.814 -1.194 6.032 1.00 0.00 C ATOM 239 O LYS A 16 -8.508 -0.873 6.995 1.00 0.00 O ATOM 240 CB LYS A 16 -7.341 -3.435 5.035 1.00 0.00 C ATOM 241 CG LYS A 16 -7.678 -4.359 6.209 1.00 0.00 C ATOM 242 CD LYS A 16 -8.787 -5.335 5.799 1.00 0.00 C ATOM 243 CE LYS A 16 -9.252 -6.125 7.025 1.00 0.00 C ATOM 244 NZ LYS A 16 -10.253 -7.147 6.607 1.00 0.00 N ATOM 0 H LYS A 16 -7.765 -2.084 3.009 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.289 -2.581 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.425 -3.980 4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.309 -3.092 5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.790 -4.911 6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.999 -3.769 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.625 -4.789 5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.420 -6.017 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.401 -6.609 7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.690 -5.451 7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.569 -7.684 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.069 -6.674 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.820 -7.797 5.920 1.00 0.00 H new ATOM 258 N ALA A 17 -6.625 -0.656 5.775 1.00 0.00 N ATOM 259 CA ALA A 17 -6.056 0.371 6.633 1.00 0.00 C ATOM 260 C ALA A 17 -6.977 1.585 6.677 1.00 0.00 C ATOM 261 O ALA A 17 -6.915 2.386 7.605 1.00 0.00 O ATOM 262 CB ALA A 17 -4.679 0.789 6.110 1.00 0.00 C ATOM 0 H ALA A 17 -6.040 -0.915 4.981 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.949 -0.034 7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.261 1.558 6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.016 -0.076 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.778 1.183 5.098 1.00 0.00 H new ATOM 268 N LYS A 18 -7.831 1.716 5.663 1.00 0.00 N ATOM 269 CA LYS A 18 -8.755 2.848 5.604 1.00 0.00 C ATOM 270 C LYS A 18 -9.951 2.632 6.530 1.00 0.00 C ATOM 271 O LYS A 18 -10.094 3.317 7.542 1.00 0.00 O ATOM 272 CB LYS A 18 -9.249 3.055 4.168 1.00 0.00 C ATOM 273 CG LYS A 18 -9.775 4.487 4.012 1.00 0.00 C ATOM 274 CD LYS A 18 -10.726 4.564 2.812 1.00 0.00 C ATOM 275 CE LYS A 18 -12.028 3.828 3.135 1.00 0.00 C ATOM 276 NZ LYS A 18 -13.189 4.608 2.618 1.00 0.00 N ATOM 0 H LYS A 18 -7.903 1.064 4.882 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.216 3.736 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.437 2.875 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.037 2.339 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.295 4.794 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.943 5.177 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.937 5.606 2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.255 4.121 1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.016 2.835 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.121 3.690 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.072 4.105 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.204 5.546 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.102 4.718 1.587 1.00 0.00 H new ATOM 290 N ALA A 19 -10.813 1.683 6.171 1.00 0.00 N ATOM 291 CA ALA A 19 -12.002 1.395 6.972 1.00 0.00 C ATOM 292 C ALA A 19 -11.637 0.636 8.246 1.00 0.00 C ATOM 293 O ALA A 19 -12.495 0.387 9.094 1.00 0.00 O ATOM 294 CB ALA A 19 -12.989 0.564 6.148 1.00 0.00 C ATOM 0 H ALA A 19 -10.712 1.104 5.337 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.460 2.343 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.874 0.351 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.279 1.122 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.517 -0.373 5.852 1.00 0.00 H new ATOM 300 N GLY A 20 -10.363 0.276 8.375 1.00 0.00 N ATOM 301 CA GLY A 20 -9.895 -0.452 9.552 1.00 0.00 C ATOM 302 C GLY A 20 -9.200 0.483 10.534 1.00 0.00 C ATOM 303 O GLY A 20 -9.704 0.736 11.628 1.00 0.00 O ATOM 0 H GLY A 20 -9.640 0.475 7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.739 -0.938 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.207 -1.240 9.246 1.00 0.00 H new ATOM 307 N VAL A 21 -8.037 0.992 10.130 1.00 0.00 N ATOM 308 CA VAL A 21 -7.267 1.899 10.974 1.00 0.00 C ATOM 309 C VAL A 21 -6.080 2.462 10.194 1.00 0.00 C ATOM 310 O VAL A 21 -5.050 1.803 10.042 1.00 0.00 O ATOM 311 CB VAL A 21 -6.776 1.164 12.232 1.00 0.00 C ATOM 312 CG1 VAL A 21 -6.230 -0.220 11.852 1.00 0.00 C ATOM 313 CG2 VAL A 21 -5.671 1.983 12.913 1.00 0.00 C ATOM 0 H VAL A 21 -7.610 0.791 9.226 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.909 2.725 11.280 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.613 1.042 12.920 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.884 -0.734 12.749 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.019 -0.805 11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.398 -0.105 11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.326 1.458 13.804 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.837 2.114 12.223 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.064 2.959 13.196 1.00 0.00 H new ATOM 323 N ILE A 22 -6.236 3.684 9.695 1.00 0.00 N ATOM 324 CA ILE A 22 -5.174 4.325 8.929 1.00 0.00 C ATOM 325 C ILE A 22 -4.276 5.137 9.856 1.00 0.00 C ATOM 326 O ILE A 22 -4.739 5.699 10.850 1.00 0.00 O ATOM 327 CB ILE A 22 -5.781 5.230 7.846 1.00 0.00 C ATOM 328 CG1 ILE A 22 -4.694 5.641 6.842 1.00 0.00 C ATOM 329 CG2 ILE A 22 -6.385 6.481 8.489 1.00 0.00 C ATOM 330 CD1 ILE A 22 -4.307 4.438 5.975 1.00 0.00 C ATOM 0 H ILE A 22 -7.080 4.246 9.806 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.571 3.556 8.446 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.565 4.681 7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.056 6.453 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.819 6.015 7.373 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.813 7.117 7.715 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.166 6.188 9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.607 7.029 9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.536 4.735 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.926 3.639 6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.183 4.084 5.432 1.00 0.00 H new ATOM 342 N THR A 23 -2.989 5.188 9.529 1.00 0.00 N ATOM 343 CA THR A 23 -2.024 5.926 10.340 1.00 0.00 C ATOM 344 C THR A 23 -0.663 5.952 9.652 1.00 0.00 C ATOM 345 O THR A 23 -0.408 5.174 8.733 1.00 0.00 O ATOM 346 CB THR A 23 -1.894 5.274 11.727 1.00 0.00 C ATOM 347 OG1 THR A 23 -0.725 5.759 12.375 1.00 0.00 O ATOM 348 CG2 THR A 23 -1.808 3.750 11.579 1.00 0.00 C ATOM 0 H THR A 23 -2.590 4.729 8.710 1.00 0.00 H new ATOM 0 HA THR A 23 -2.379 6.950 10.457 1.00 0.00 H new ATOM 0 HB THR A 23 -2.769 5.526 12.325 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.391 5.081 12.999 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.716 3.293 12.564 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.710 3.380 11.091 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.937 3.492 10.977 1.00 0.00 H new ATOM 356 N GLU A 24 0.205 6.854 10.106 1.00 0.00 N ATOM 357 CA GLU A 24 1.541 6.982 9.532 1.00 0.00 C ATOM 358 C GLU A 24 2.207 5.616 9.395 1.00 0.00 C ATOM 359 O GLU A 24 2.976 5.382 8.463 1.00 0.00 O ATOM 360 CB GLU A 24 2.403 7.887 10.419 1.00 0.00 C ATOM 361 CG GLU A 24 1.869 9.321 10.366 1.00 0.00 C ATOM 362 CD GLU A 24 2.020 9.888 8.956 1.00 0.00 C ATOM 363 OE1 GLU A 24 3.148 10.017 8.506 1.00 0.00 O ATOM 364 OE2 GLU A 24 1.005 10.184 8.344 1.00 0.00 O ATOM 0 H GLU A 24 0.007 7.504 10.867 1.00 0.00 H new ATOM 0 HA GLU A 24 1.447 7.423 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.392 7.522 11.446 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.439 7.862 10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.820 9.337 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.411 9.945 11.077 1.00 0.00 H new ATOM 371 N GLU A 25 1.903 4.719 10.331 1.00 0.00 N ATOM 372 CA GLU A 25 2.474 3.374 10.311 1.00 0.00 C ATOM 373 C GLU A 25 2.112 2.655 9.012 1.00 0.00 C ATOM 374 O GLU A 25 2.979 2.364 8.187 1.00 0.00 O ATOM 375 CB GLU A 25 1.951 2.565 11.503 1.00 0.00 C ATOM 376 CG GLU A 25 2.258 3.302 12.810 1.00 0.00 C ATOM 377 CD GLU A 25 1.263 2.882 13.889 1.00 0.00 C ATOM 378 OE1 GLU A 25 1.236 1.706 14.217 1.00 0.00 O ATOM 379 OE2 GLU A 25 0.540 3.740 14.368 1.00 0.00 O ATOM 0 H GLU A 25 1.268 4.898 11.109 1.00 0.00 H new ATOM 0 HA GLU A 25 3.559 3.461 10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.876 2.412 11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.414 1.578 11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.275 3.079 13.134 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.203 4.379 12.652 1.00 0.00 H new ATOM 386 N GLU A 26 0.823 2.368 8.843 1.00 0.00 N ATOM 387 CA GLU A 26 0.345 1.680 7.647 1.00 0.00 C ATOM 388 C GLU A 26 0.576 2.537 6.406 1.00 0.00 C ATOM 389 O GLU A 26 1.030 2.040 5.376 1.00 0.00 O ATOM 390 CB GLU A 26 -1.150 1.367 7.789 1.00 0.00 C ATOM 391 CG GLU A 26 -1.335 0.043 8.541 1.00 0.00 C ATOM 392 CD GLU A 26 -0.558 0.069 9.856 1.00 0.00 C ATOM 393 OE1 GLU A 26 -1.029 0.699 10.788 1.00 0.00 O ATOM 394 OE2 GLU A 26 0.499 -0.541 9.909 1.00 0.00 O ATOM 0 H GLU A 26 0.093 2.600 9.517 1.00 0.00 H new ATOM 0 HA GLU A 26 0.902 0.749 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.650 2.173 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.613 1.304 6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.393 -0.126 8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.990 -0.786 7.923 1.00 0.00 H new ATOM 401 N LYS A 27 0.260 3.825 6.514 1.00 0.00 N ATOM 402 CA LYS A 27 0.436 4.750 5.398 1.00 0.00 C ATOM 403 C LYS A 27 1.863 4.680 4.858 1.00 0.00 C ATOM 404 O LYS A 27 2.077 4.623 3.647 1.00 0.00 O ATOM 405 CB LYS A 27 0.128 6.178 5.856 1.00 0.00 C ATOM 406 CG LYS A 27 -0.130 7.070 4.638 1.00 0.00 C ATOM 407 CD LYS A 27 -0.110 8.542 5.062 1.00 0.00 C ATOM 408 CE LYS A 27 -1.287 8.825 6.003 1.00 0.00 C ATOM 409 NZ LYS A 27 -1.608 10.280 5.973 1.00 0.00 N ATOM 0 H LYS A 27 -0.118 4.251 7.360 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.251 4.466 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.744 6.180 6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.963 6.572 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.629 6.891 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.093 6.823 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.831 8.774 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.172 9.184 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.157 8.243 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.037 8.518 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.406 10.473 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.778 10.825 6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.864 10.559 5.004 1.00 0.00 H new ATOM 423 N ALA A 28 2.834 4.684 5.769 1.00 0.00 N ATOM 424 CA ALA A 28 4.241 4.619 5.380 1.00 0.00 C ATOM 425 C ALA A 28 4.529 3.322 4.626 1.00 0.00 C ATOM 426 O ALA A 28 5.247 3.322 3.625 1.00 0.00 O ATOM 427 CB ALA A 28 5.134 4.700 6.619 1.00 0.00 C ATOM 0 H ALA A 28 2.674 4.731 6.775 1.00 0.00 H new ATOM 0 HA ALA A 28 4.455 5.464 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.180 4.651 6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.950 5.640 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.909 3.867 7.285 1.00 0.00 H new ATOM 433 N GLU A 29 3.961 2.223 5.117 1.00 0.00 N ATOM 434 CA GLU A 29 4.156 0.920 4.489 1.00 0.00 C ATOM 435 C GLU A 29 3.736 0.967 3.021 1.00 0.00 C ATOM 436 O GLU A 29 4.541 0.703 2.128 1.00 0.00 O ATOM 437 CB GLU A 29 3.338 -0.145 5.229 1.00 0.00 C ATOM 438 CG GLU A 29 3.673 -1.538 4.680 1.00 0.00 C ATOM 439 CD GLU A 29 5.159 -1.841 4.874 1.00 0.00 C ATOM 440 OE1 GLU A 29 5.624 -1.744 5.999 1.00 0.00 O ATOM 441 OE2 GLU A 29 5.811 -2.165 3.893 1.00 0.00 O ATOM 0 H GLU A 29 3.365 2.209 5.944 1.00 0.00 H new ATOM 0 HA GLU A 29 5.214 0.663 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.553 -0.104 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.273 0.055 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.072 -2.291 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.419 -1.590 3.621 1.00 0.00 H new ATOM 448 N GLN A 30 2.469 1.305 2.786 1.00 0.00 N ATOM 449 CA GLN A 30 1.938 1.389 1.426 1.00 0.00 C ATOM 450 C GLN A 30 2.834 2.258 0.546 1.00 0.00 C ATOM 451 O GLN A 30 3.085 1.929 -0.615 1.00 0.00 O ATOM 452 CB GLN A 30 0.521 1.974 1.450 1.00 0.00 C ATOM 453 CG GLN A 30 -0.299 1.306 2.560 1.00 0.00 C ATOM 454 CD GLN A 30 -1.769 1.224 2.155 1.00 0.00 C ATOM 455 OE1 GLN A 30 -2.637 1.749 2.853 1.00 0.00 O ATOM 456 NE2 GLN A 30 -2.099 0.593 1.063 1.00 0.00 N ATOM 0 H GLN A 30 1.793 1.525 3.517 1.00 0.00 H new ATOM 0 HA GLN A 30 1.909 0.382 1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.565 3.050 1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.038 1.819 0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.088 0.306 2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.201 1.873 3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.378 0.159 0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.078 0.533 0.785 1.00 0.00 H new ATOM 465 N GLN A 31 3.309 3.367 1.110 1.00 0.00 N ATOM 466 CA GLN A 31 4.174 4.287 0.375 1.00 0.00 C ATOM 467 C GLN A 31 5.421 3.570 -0.134 1.00 0.00 C ATOM 468 O GLN A 31 5.880 3.824 -1.248 1.00 0.00 O ATOM 469 CB GLN A 31 4.587 5.450 1.282 1.00 0.00 C ATOM 470 CG GLN A 31 5.146 6.595 0.430 1.00 0.00 C ATOM 471 CD GLN A 31 5.509 7.786 1.316 1.00 0.00 C ATOM 472 OE1 GLN A 31 5.643 8.906 0.825 1.00 0.00 O ATOM 473 NE2 GLN A 31 5.679 7.612 2.599 1.00 0.00 N ATOM 0 H GLN A 31 3.110 3.649 2.070 1.00 0.00 H new ATOM 0 HA GLN A 31 3.618 4.669 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.729 5.797 1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.338 5.117 1.998 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.027 6.256 -0.114 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.409 6.897 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.568 6.684 3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.923 8.404 3.193 1.00 0.00 H new ATOM 482 N LYS A 32 5.962 2.674 0.688 1.00 0.00 N ATOM 483 CA LYS A 32 7.158 1.923 0.314 1.00 0.00 C ATOM 484 C LYS A 32 6.903 1.110 -0.950 1.00 0.00 C ATOM 485 O LYS A 32 7.546 1.324 -1.979 1.00 0.00 O ATOM 486 CB LYS A 32 7.561 0.985 1.458 1.00 0.00 C ATOM 487 CG LYS A 32 8.978 0.451 1.217 1.00 0.00 C ATOM 488 CD LYS A 32 9.474 -0.268 2.474 1.00 0.00 C ATOM 489 CE LYS A 32 10.936 -0.681 2.288 1.00 0.00 C ATOM 490 NZ LYS A 32 11.571 -0.876 3.621 1.00 0.00 N ATOM 0 H LYS A 32 5.594 2.451 1.613 1.00 0.00 H new ATOM 0 HA LYS A 32 7.966 2.628 0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.520 1.517 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.857 0.156 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.981 -0.234 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.650 1.272 0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.378 0.386 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.859 -1.147 2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.994 -1.602 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.472 0.084 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.564 -1.157 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.528 0.013 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.064 -1.621 4.141 1.00 0.00 H new ATOM 504 N LEU A 33 5.956 0.179 -0.865 1.00 0.00 N ATOM 505 CA LEU A 33 5.613 -0.661 -2.007 1.00 0.00 C ATOM 506 C LEU A 33 5.231 0.211 -3.202 1.00 0.00 C ATOM 507 O LEU A 33 5.603 -0.081 -4.340 1.00 0.00 O ATOM 508 CB LEU A 33 4.453 -1.604 -1.657 1.00 0.00 C ATOM 509 CG LEU A 33 4.573 -2.091 -0.204 1.00 0.00 C ATOM 510 CD1 LEU A 33 3.520 -3.169 0.062 1.00 0.00 C ATOM 511 CD2 LEU A 33 5.969 -2.679 0.034 1.00 0.00 C ATOM 0 H LEU A 33 5.415 -0.011 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 33 6.484 -1.263 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.503 -1.088 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.454 -2.458 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 33 4.415 -1.248 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.605 -3.514 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.525 -2.754 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.679 -4.008 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.048 -3.022 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.130 -3.519 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.723 -1.914 -0.152 1.00 0.00 H new ATOM 523 N ARG A 34 4.499 1.290 -2.929 1.00 0.00 N ATOM 524 CA ARG A 34 4.085 2.210 -3.983 1.00 0.00 C ATOM 525 C ARG A 34 5.308 2.826 -4.645 1.00 0.00 C ATOM 526 O ARG A 34 5.361 2.958 -5.866 1.00 0.00 O ATOM 527 CB ARG A 34 3.196 3.313 -3.399 1.00 0.00 C ATOM 528 CG ARG A 34 2.766 4.276 -4.512 1.00 0.00 C ATOM 529 CD ARG A 34 1.786 5.311 -3.953 1.00 0.00 C ATOM 530 NE ARG A 34 0.524 4.670 -3.586 1.00 0.00 N ATOM 531 CZ ARG A 34 0.232 4.362 -2.321 1.00 0.00 C ATOM 532 NH1 ARG A 34 1.081 4.620 -1.362 1.00 0.00 N ATOM 533 NH2 ARG A 34 -0.906 3.794 -2.040 1.00 0.00 N ATOM 0 H ARG A 34 4.183 1.546 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 34 3.517 1.657 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.318 2.873 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.736 3.856 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.639 4.777 -4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.298 3.721 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.221 5.799 -3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.604 6.088 -4.696 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.152 4.452 -4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.975 5.060 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.849 4.381 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.570 3.586 -2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.133 3.557 -1.074 1.00 0.00 H new ATOM 547 N GLN A 35 6.299 3.184 -3.831 1.00 0.00 N ATOM 548 CA GLN A 35 7.525 3.768 -4.357 1.00 0.00 C ATOM 549 C GLN A 35 8.182 2.790 -5.319 1.00 0.00 C ATOM 550 O GLN A 35 8.840 3.193 -6.276 1.00 0.00 O ATOM 551 CB GLN A 35 8.490 4.098 -3.215 1.00 0.00 C ATOM 552 CG GLN A 35 9.458 5.199 -3.662 1.00 0.00 C ATOM 553 CD GLN A 35 8.719 6.529 -3.774 1.00 0.00 C ATOM 554 OE1 GLN A 35 8.125 6.995 -2.802 1.00 0.00 O ATOM 555 NE2 GLN A 35 8.717 7.171 -4.911 1.00 0.00 N ATOM 0 H GLN A 35 6.276 3.081 -2.817 1.00 0.00 H new ATOM 0 HA GLN A 35 7.280 4.690 -4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.932 4.424 -2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.046 3.206 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.276 5.287 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.901 4.937 -4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.210 6.784 -5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.223 8.059 -4.994 1.00 0.00 H new