USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 150 hydrogens (7 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 8 DPR H : A 8 DPR N : A 7 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 163:sc= -0.105 (180deg=-0.491) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.09! C(o=-2.1!,f=-0.89!) USER MOD Single : A 15 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.949 2.656 -0.138 1.00 0.00 N ATOM 2 CA GLY A 1 7.027 3.388 1.122 1.00 0.00 C ATOM 3 C GLY A 1 6.983 2.430 2.308 1.00 0.00 C ATOM 4 O GLY A 1 5.910 2.106 2.816 1.00 0.00 O ATOM 0 H2 GLY A 1 6.692 3.311 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.948 3.970 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.200 4.095 1.189 1.00 0.00 H new ATOM 8 N SER A 2 8.156 1.979 2.742 1.00 0.00 N ATOM 9 CA SER A 2 8.238 1.055 3.866 1.00 0.00 C ATOM 10 C SER A 2 7.309 -0.134 3.649 1.00 0.00 C ATOM 11 O SER A 2 6.152 -0.116 4.068 1.00 0.00 O ATOM 12 CB SER A 2 7.855 1.774 5.160 1.00 0.00 C ATOM 13 OG SER A 2 8.395 3.089 5.145 1.00 0.00 O ATOM 0 H SER A 2 9.056 2.236 2.336 1.00 0.00 H new ATOM 0 HA SER A 2 9.263 0.692 3.941 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.770 1.815 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.233 1.223 6.021 1.00 0.00 H new ATOM 0 HG SER A 2 8.150 3.553 5.973 1.00 0.00 H new ATOM 19 N ARG A 3 7.824 -1.168 2.989 1.00 0.00 N ATOM 20 CA ARG A 3 7.029 -2.361 2.722 1.00 0.00 C ATOM 21 C ARG A 3 5.798 -2.007 1.893 1.00 0.00 C ATOM 22 O ARG A 3 5.893 -1.283 0.902 1.00 0.00 O ATOM 23 CB ARG A 3 6.593 -3.004 4.038 1.00 0.00 C ATOM 24 CG ARG A 3 7.781 -3.058 5.001 1.00 0.00 C ATOM 25 CD ARG A 3 7.354 -3.738 6.303 1.00 0.00 C ATOM 26 NE ARG A 3 6.346 -2.933 6.985 1.00 0.00 N ATOM 27 CZ ARG A 3 6.662 -1.778 7.561 1.00 0.00 C ATOM 28 NH1 ARG A 3 5.742 -1.078 8.166 1.00 0.00 N ATOM 29 NH2 ARG A 3 7.892 -1.344 7.522 1.00 0.00 N ATOM 0 H ARG A 3 8.779 -1.204 2.633 1.00 0.00 H new ATOM 0 HA ARG A 3 7.642 -3.066 2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.778 -2.432 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.214 -4.010 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.606 -3.606 4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.142 -2.050 5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.955 -4.730 6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.220 -3.875 6.951 1.00 0.00 H new ATOM 0 HE ARG A 3 5.381 -3.263 7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.781 -1.417 8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.984 -0.191 8.608 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.611 -1.891 7.049 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.134 -0.457 7.964 1.00 0.00 H new ATOM 43 N ARG A 4 4.643 -2.519 2.306 1.00 0.00 N ATOM 44 CA ARG A 4 3.402 -2.246 1.594 1.00 0.00 C ATOM 45 C ARG A 4 2.231 -2.169 2.567 1.00 0.00 C ATOM 46 O ARG A 4 1.997 -3.092 3.349 1.00 0.00 O ATOM 47 CB ARG A 4 3.144 -3.340 0.544 1.00 0.00 C ATOM 48 CG ARG A 4 1.630 -3.567 0.365 1.00 0.00 C ATOM 49 CD ARG A 4 1.361 -4.334 -0.936 1.00 0.00 C ATOM 50 NE ARG A 4 2.592 -4.932 -1.443 1.00 0.00 N ATOM 51 CZ ARG A 4 2.712 -5.281 -2.720 1.00 0.00 C ATOM 52 NH1 ARG A 4 3.822 -5.818 -3.148 1.00 0.00 N ATOM 53 NH2 ARG A 4 1.721 -5.084 -3.547 1.00 0.00 N ATOM 0 H ARG A 4 4.541 -3.120 3.124 1.00 0.00 H new ATOM 0 HA ARG A 4 3.497 -1.284 1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.590 -3.052 -0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.624 -4.269 0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.236 -4.126 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.111 -2.609 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.618 -5.112 -0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.944 -3.659 -1.683 1.00 0.00 H new ATOM 0 HE ARG A 4 3.374 -5.085 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.597 -5.970 -2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.914 -6.086 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.854 -4.662 -3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.813 -5.352 -4.527 1.00 0.00 H new ATOM 67 N PHE A 5 1.485 -1.073 2.491 1.00 0.00 N ATOM 68 CA PHE A 5 0.322 -0.889 3.347 1.00 0.00 C ATOM 69 C PHE A 5 -0.946 -1.134 2.526 1.00 0.00 C ATOM 70 O PHE A 5 -1.766 -0.240 2.310 1.00 0.00 O ATOM 71 CB PHE A 5 0.324 0.526 3.944 1.00 0.00 C ATOM 72 CG PHE A 5 0.835 0.473 5.363 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.996 -0.248 5.665 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.145 1.148 6.378 1.00 0.00 C ATOM 75 CE1 PHE A 5 2.468 -0.294 6.981 1.00 0.00 C ATOM 76 CE2 PHE A 5 0.617 1.102 7.695 1.00 0.00 C ATOM 77 CZ PHE A 5 1.780 0.381 7.997 1.00 0.00 C ATOM 0 H PHE A 5 1.665 -0.302 1.848 1.00 0.00 H new ATOM 0 HA PHE A 5 0.354 -1.601 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.953 1.184 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.683 0.942 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.527 -0.769 4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.751 1.704 6.145 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.364 -0.851 7.214 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.085 1.622 8.478 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.146 0.346 9.013 1.00 0.00 H new ATOM 87 N ARG A 6 -1.094 -2.361 2.048 1.00 0.00 N ATOM 88 CA ARG A 6 -2.251 -2.707 1.243 1.00 0.00 C ATOM 89 C ARG A 6 -3.488 -2.830 2.120 1.00 0.00 C ATOM 90 O ARG A 6 -3.506 -3.603 3.078 1.00 0.00 O ATOM 91 CB ARG A 6 -1.997 -4.016 0.496 1.00 0.00 C ATOM 92 CG ARG A 6 -2.068 -3.745 -1.002 1.00 0.00 C ATOM 93 CD ARG A 6 -1.901 -5.050 -1.781 1.00 0.00 C ATOM 94 NE ARG A 6 -3.172 -5.453 -2.371 1.00 0.00 N ATOM 95 CZ ARG A 6 -3.271 -6.559 -3.101 1.00 0.00 C ATOM 96 NH1 ARG A 6 -4.419 -6.898 -3.620 1.00 0.00 N ATOM 97 NH2 ARG A 6 -2.219 -7.307 -3.298 1.00 0.00 N ATOM 0 H ARG A 6 -0.435 -3.124 2.202 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.421 -1.914 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.020 -4.419 0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.738 -4.763 0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.024 -3.284 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.289 -3.039 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.153 -4.921 -2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.536 -5.834 -1.117 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.000 -4.876 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.241 -6.314 -3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.495 -7.747 -4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.322 -7.042 -2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.295 -8.156 -3.858 1.00 0.00 H new ATOM 111 N PHE A 7 -4.512 -2.041 1.802 1.00 0.00 N ATOM 112 CA PHE A 7 -5.734 -2.044 2.577 1.00 0.00 C ATOM 113 C PHE A 7 -6.972 -2.087 1.676 1.00 0.00 C ATOM 114 O PHE A 7 -7.669 -1.085 1.523 1.00 0.00 O ATOM 115 CB PHE A 7 -5.760 -0.776 3.414 1.00 0.00 C ATOM 116 CG PHE A 7 -5.046 -1.016 4.721 1.00 0.00 C ATOM 117 CD1 PHE A 7 -3.828 -0.374 4.978 1.00 0.00 C ATOM 118 CD2 PHE A 7 -5.599 -1.878 5.674 1.00 0.00 C ATOM 119 CE1 PHE A 7 -3.164 -0.596 6.191 1.00 0.00 C ATOM 120 CE2 PHE A 7 -4.935 -2.100 6.885 1.00 0.00 C ATOM 121 CZ PHE A 7 -3.717 -1.459 7.144 1.00 0.00 C ATOM 0 H PHE A 7 -4.512 -1.395 1.013 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.755 -2.933 3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.282 0.039 2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.790 -0.473 3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.401 0.291 4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.538 -2.372 5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.225 -0.101 6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.362 -2.766 7.620 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.205 -1.631 8.079 1.00 0.00 H new HETATM 131 N DPR A 8 -7.253 -3.224 1.097 1.00 0.00 N HETATM 132 CA DPR A 8 -8.427 -3.438 0.210 1.00 0.00 C HETATM 133 CB DPR A 8 -7.874 -4.436 -0.801 1.00 0.00 C HETATM 134 CG DPR A 8 -6.913 -5.283 -0.019 1.00 0.00 C HETATM 135 CD DPR A 8 -6.470 -4.461 1.204 1.00 0.00 C HETATM 136 C DPR A 8 -8.936 -2.165 -0.480 1.00 0.00 C HETATM 137 O DPR A 8 -8.506 -1.837 -1.587 1.00 0.00 O HETATM 0 HG3 DPR A 8 -7.387 -6.213 0.294 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -6.053 -5.554 -0.632 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -5.399 -4.259 1.184 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -6.678 -4.987 2.136 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -8.670 -5.040 -1.236 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -7.373 -3.928 -1.625 1.00 0.00 H new HETATM 0 HA DPR A 8 -9.304 -3.778 0.761 1.00 0.00 H new ATOM 145 N PRO A 9 -9.859 -1.462 0.139 1.00 0.00 N ATOM 146 CA PRO A 9 -10.461 -0.218 -0.436 1.00 0.00 C ATOM 147 C PRO A 9 -9.437 0.866 -0.755 1.00 0.00 C ATOM 148 O PRO A 9 -9.768 1.875 -1.377 1.00 0.00 O ATOM 149 CB PRO A 9 -11.445 0.263 0.638 1.00 0.00 C ATOM 150 CG PRO A 9 -11.063 -0.451 1.891 1.00 0.00 C ATOM 151 CD PRO A 9 -10.432 -1.772 1.459 1.00 0.00 C ATOM 0 HA PRO A 9 -10.934 -0.430 -1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.383 1.343 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.473 0.035 0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.360 0.142 2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.936 -0.625 2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.666 -2.100 2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.172 -2.570 1.398 1.00 0.00 H new ATOM 159 N LYS A 10 -8.198 0.659 -0.337 1.00 0.00 N ATOM 160 CA LYS A 10 -7.155 1.643 -0.607 1.00 0.00 C ATOM 161 C LYS A 10 -5.788 0.977 -0.733 1.00 0.00 C ATOM 162 O LYS A 10 -5.373 0.207 0.132 1.00 0.00 O ATOM 163 CB LYS A 10 -7.118 2.709 0.495 1.00 0.00 C ATOM 164 CG LYS A 10 -7.530 2.101 1.838 1.00 0.00 C ATOM 165 CD LYS A 10 -7.081 3.023 2.978 1.00 0.00 C ATOM 166 CE LYS A 10 -5.642 2.690 3.384 1.00 0.00 C ATOM 167 NZ LYS A 10 -4.977 3.920 3.901 1.00 0.00 N ATOM 0 H LYS A 10 -7.891 -0.164 0.181 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.392 2.124 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.115 3.129 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.788 3.530 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.611 1.965 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.081 1.115 1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.147 4.064 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.746 2.907 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.639 1.913 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.092 2.298 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.000 3.696 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.969 4.648 3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.498 4.275 4.728 1.00 0.00 H new ATOM 181 N ILE A 11 -5.098 1.290 -1.826 1.00 0.00 N ATOM 182 CA ILE A 11 -3.775 0.734 -2.086 1.00 0.00 C ATOM 183 C ILE A 11 -2.697 1.743 -1.700 1.00 0.00 C ATOM 184 O ILE A 11 -2.600 2.811 -2.304 1.00 0.00 O ATOM 185 CB ILE A 11 -3.651 0.388 -3.582 1.00 0.00 C ATOM 186 CG1 ILE A 11 -4.102 -1.065 -3.821 1.00 0.00 C ATOM 187 CG2 ILE A 11 -2.200 0.560 -4.061 1.00 0.00 C ATOM 188 CD1 ILE A 11 -2.912 -2.017 -3.661 1.00 0.00 C ATOM 0 H ILE A 11 -5.435 1.928 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.642 -0.169 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.289 1.068 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.888 -1.331 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.525 -1.163 -4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.134 0.311 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.888 1.594 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.548 -0.102 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.241 -3.042 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.139 -1.758 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.508 -1.929 -2.652 1.00 0.00 H new ATOM 200 N ILE A 12 -1.875 1.390 -0.710 1.00 0.00 N ATOM 201 CA ILE A 12 -0.789 2.274 -0.284 1.00 0.00 C ATOM 202 C ILE A 12 0.541 1.603 -0.595 1.00 0.00 C ATOM 203 O ILE A 12 1.463 1.595 0.222 1.00 0.00 O ATOM 204 CB ILE A 12 -0.877 2.591 1.215 1.00 0.00 C ATOM 205 CG1 ILE A 12 -2.277 3.120 1.578 1.00 0.00 C ATOM 206 CG2 ILE A 12 0.171 3.646 1.581 1.00 0.00 C ATOM 207 CD1 ILE A 12 -2.664 4.278 0.653 1.00 0.00 C ATOM 0 H ILE A 12 -1.938 0.512 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.873 3.216 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.691 1.673 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.010 2.317 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.289 3.455 2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.106 3.869 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.166 3.266 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.012 4.555 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.656 4.642 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.940 5.086 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.672 3.931 -0.380 1.00 0.00 H new ATOM 219 N PHE A 13 0.618 1.045 -1.795 1.00 0.00 N ATOM 220 CA PHE A 13 1.818 0.367 -2.258 1.00 0.00 C ATOM 221 C PHE A 13 2.183 0.922 -3.628 1.00 0.00 C ATOM 222 O PHE A 13 3.319 0.810 -4.088 1.00 0.00 O ATOM 223 CB PHE A 13 1.559 -1.147 -2.313 1.00 0.00 C ATOM 224 CG PHE A 13 2.008 -1.730 -3.635 1.00 0.00 C ATOM 225 CD1 PHE A 13 1.060 -2.254 -4.526 1.00 0.00 C ATOM 226 CD2 PHE A 13 3.369 -1.761 -3.965 1.00 0.00 C ATOM 227 CE1 PHE A 13 1.474 -2.804 -5.745 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.781 -2.310 -5.186 1.00 0.00 C ATOM 229 CZ PHE A 13 2.834 -2.831 -6.076 1.00 0.00 C ATOM 0 H PHE A 13 -0.146 1.050 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 13 2.651 0.537 -1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.088 -1.639 -1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.497 -1.343 -2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.011 -2.233 -4.272 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.101 -1.362 -3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.744 -3.208 -6.431 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.830 -2.331 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.153 -3.254 -7.017 1.00 0.00 H new ATOM 239 N ASN A 14 1.200 1.557 -4.256 1.00 0.00 N ATOM 240 CA ASN A 14 1.396 2.171 -5.564 1.00 0.00 C ATOM 241 C ASN A 14 2.753 2.868 -5.622 1.00 0.00 C ATOM 242 O ASN A 14 3.552 2.616 -6.525 1.00 0.00 O ATOM 243 CB ASN A 14 0.278 3.189 -5.816 1.00 0.00 C ATOM 244 CG ASN A 14 0.786 4.326 -6.701 1.00 0.00 C ATOM 245 OD1 ASN A 14 0.443 5.487 -6.476 1.00 0.00 O ATOM 246 ND2 ASN A 14 1.587 4.065 -7.701 1.00 0.00 N ATOM 0 H ASN A 14 0.258 1.660 -3.880 1.00 0.00 H new ATOM 0 HA ASN A 14 1.368 1.398 -6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.569 2.698 -6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.079 3.589 -4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.927 4.823 -8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.872 3.104 -7.889 1.00 0.00 H new ATOM 253 N GLN A 15 3.005 3.742 -4.651 1.00 0.00 N ATOM 254 CA GLN A 15 4.269 4.472 -4.596 1.00 0.00 C ATOM 255 C GLN A 15 5.139 3.949 -3.457 1.00 0.00 C ATOM 256 O GLN A 15 5.760 4.726 -2.732 1.00 0.00 O ATOM 257 CB GLN A 15 4.001 5.964 -4.388 1.00 0.00 C ATOM 258 CG GLN A 15 5.220 6.771 -4.839 1.00 0.00 C ATOM 259 CD GLN A 15 5.319 6.762 -6.360 1.00 0.00 C ATOM 260 OE1 GLN A 15 4.402 7.214 -7.046 1.00 0.00 O ATOM 261 NE2 GLN A 15 6.385 6.271 -6.933 1.00 0.00 N ATOM 0 H GLN A 15 2.355 3.961 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 15 4.794 4.324 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.121 6.268 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.789 6.163 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.141 7.796 -4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.126 6.349 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.144 5.897 -6.363 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.459 6.262 -7.950 1.00 0.00 H new ATOM 270 N ARG A 16 5.177 2.625 -3.310 1.00 0.00 N ATOM 271 CA ARG A 16 5.972 1.995 -2.257 1.00 0.00 C ATOM 272 C ARG A 16 5.929 2.823 -0.976 1.00 0.00 C ATOM 273 O ARG A 16 4.994 3.592 -0.755 1.00 0.00 O ATOM 274 CB ARG A 16 7.431 1.825 -2.707 1.00 0.00 C ATOM 275 CG ARG A 16 7.528 1.857 -4.241 1.00 0.00 C ATOM 276 CD ARG A 16 8.987 1.675 -4.677 1.00 0.00 C ATOM 277 NE ARG A 16 9.668 0.706 -3.825 1.00 0.00 N ATOM 278 CZ ARG A 16 10.360 1.087 -2.750 1.00 0.00 C ATOM 279 NH1 ARG A 16 10.975 0.193 -2.026 1.00 0.00 N ATOM 280 NH2 ARG A 16 10.418 2.347 -2.415 1.00 0.00 N ATOM 0 H ARG A 16 4.669 1.970 -3.904 1.00 0.00 H new ATOM 0 HA ARG A 16 5.542 1.013 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.044 2.619 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.826 0.881 -2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.910 1.068 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.142 2.804 -4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.022 1.341 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.506 2.632 -4.633 1.00 0.00 H new ATOM 0 HE ARG A 16 9.614 -0.286 -4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.926 -0.793 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.505 0.480 -1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.933 3.047 -2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.949 2.632 -1.592 1.00 0.00 H new TER 294 ARG A 16