USER MOD reduce.3.24.130724 H: found=0, std=0, add=168, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 170 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 NoAdj-H: A 10 ASNHD21 : A 10 ASN ND2 : A 6 LYS CE :(H bumps) USER MOD Set 1.1: A 14 GLN : amide:sc= 0.658 K(o=1.4,f=-4.8!) USER MOD Set 1.2: A 17 LYS NZ :NH3+ 143:sc= 0.791 (180deg=-0.172) USER MOD Single : A 1 GLU N :NH3+ -170:sc= 0 (180deg=-0.0977) USER MOD Single : A 2 MET CE :methyl -162:sc= -0.0279 (180deg=-0.476) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.731 0.059 6.453 1.00 0.00 N ATOM 2 CA GLU A 1 2.580 -0.825 7.641 1.00 0.00 C ATOM 3 C GLU A 1 3.535 -0.427 8.729 1.00 0.00 C ATOM 4 O GLU A 1 3.171 -0.392 9.904 1.00 0.00 O ATOM 5 CB GLU A 1 2.863 -2.291 7.251 1.00 0.00 C ATOM 6 CG GLU A 1 1.755 -2.889 6.367 1.00 0.00 C ATOM 7 CD GLU A 1 2.184 -4.275 5.896 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.384 -4.620 6.067 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.312 -5.008 5.358 1.00 0.00 O ATOM 0 H1 GLU A 1 1.955 -0.122 5.785 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.704 1.054 6.755 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.640 -0.137 5.988 1.00 0.00 H new ATOM 0 HA GLU A 1 1.557 -0.724 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.815 -2.346 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.966 -2.891 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.822 -2.954 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.568 -2.242 5.510 1.00 0.00 H new ATOM 18 N MET A 2 4.795 -0.117 8.352 1.00 0.00 N ATOM 19 CA MET A 2 5.777 0.274 9.329 1.00 0.00 C ATOM 20 C MET A 2 6.376 1.563 8.857 1.00 0.00 C ATOM 21 O MET A 2 6.645 1.739 7.670 1.00 0.00 O ATOM 22 CB MET A 2 6.912 -0.757 9.492 1.00 0.00 C ATOM 23 CG MET A 2 6.427 -2.070 10.116 1.00 0.00 C ATOM 24 SD MET A 2 7.790 -3.200 10.535 1.00 0.00 S ATOM 25 CE MET A 2 8.176 -3.636 8.815 1.00 0.00 C ATOM 0 H MET A 2 5.131 -0.136 7.389 1.00 0.00 H new ATOM 0 HA MET A 2 5.283 0.361 10.297 1.00 0.00 H new ATOM 0 HB2 MET A 2 7.354 -0.963 8.517 1.00 0.00 H new ATOM 0 HB3 MET A 2 7.699 -0.331 10.115 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.855 -1.849 11.017 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.749 -2.568 9.422 1.00 0.00 H new ATOM 0 HE1 MET A 2 8.764 -4.553 8.795 1.00 0.00 H new ATOM 0 HE2 MET A 2 7.249 -3.787 8.261 1.00 0.00 H new ATOM 0 HE3 MET A 2 8.746 -2.829 8.354 1.00 0.00 H new ATOM 35 N ARG A 3 6.613 2.500 9.801 1.00 0.00 N ATOM 36 CA ARG A 3 7.185 3.782 9.437 1.00 0.00 C ATOM 37 C ARG A 3 8.681 3.655 9.464 1.00 0.00 C ATOM 38 O ARG A 3 9.396 4.565 9.070 1.00 0.00 O ATOM 39 CB ARG A 3 6.794 4.941 10.380 1.00 0.00 C ATOM 40 CG ARG A 3 7.167 6.318 9.808 1.00 0.00 C ATOM 41 CD ARG A 3 6.597 7.473 10.639 1.00 0.00 C ATOM 42 NE ARG A 3 7.296 7.498 11.958 1.00 0.00 N ATOM 43 CZ ARG A 3 6.925 8.398 12.918 1.00 0.00 C ATOM 44 NH1 ARG A 3 5.912 9.279 12.674 1.00 0.00 N ATOM 45 NH2 ARG A 3 7.571 8.414 14.119 1.00 0.00 N ATOM 0 H ARG A 3 6.417 2.383 10.795 1.00 0.00 H new ATOM 0 HA ARG A 3 6.794 4.027 8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.720 4.907 10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.288 4.805 11.342 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.252 6.408 9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.799 6.395 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.738 8.420 10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.524 7.344 10.781 1.00 0.00 H new ATOM 0 HE ARG A 3 8.054 6.841 12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.431 9.266 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.636 9.950 13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.329 7.756 14.299 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.296 9.084 14.837 1.00 0.00 H new ATOM 59 N LEU A 4 9.196 2.501 9.941 1.00 0.00 N ATOM 60 CA LEU A 4 10.630 2.297 9.998 1.00 0.00 C ATOM 61 C LEU A 4 11.196 2.448 8.611 1.00 0.00 C ATOM 62 O LEU A 4 12.356 2.829 8.449 1.00 0.00 O ATOM 63 CB LEU A 4 11.032 0.913 10.549 1.00 0.00 C ATOM 64 CG LEU A 4 11.577 0.995 11.986 1.00 0.00 C ATOM 65 CD1 LEU A 4 12.980 1.625 12.012 1.00 0.00 C ATOM 66 CD2 LEU A 4 10.609 1.749 12.915 1.00 0.00 C ATOM 0 H LEU A 4 8.638 1.719 10.283 1.00 0.00 H new ATOM 0 HA LEU A 4 11.031 3.043 10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.167 0.250 10.528 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.788 0.471 9.900 1.00 0.00 H new ATOM 0 HG LEU A 4 11.662 -0.024 12.363 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.340 1.670 13.040 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.662 1.019 11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.934 2.633 11.599 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.026 1.787 13.921 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.464 2.763 12.543 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.650 1.231 12.939 1.00 0.00 H new ATOM 78 N SER A 5 10.386 2.143 7.571 1.00 0.00 N ATOM 79 CA SER A 5 10.844 2.311 6.213 1.00 0.00 C ATOM 80 C SER A 5 10.670 3.770 5.903 1.00 0.00 C ATOM 81 O SER A 5 9.837 4.156 5.087 1.00 0.00 O ATOM 82 CB SER A 5 10.035 1.499 5.184 1.00 0.00 C ATOM 83 OG SER A 5 10.273 0.108 5.363 1.00 0.00 O ATOM 0 H SER A 5 9.434 1.788 7.664 1.00 0.00 H new ATOM 0 HA SER A 5 11.873 1.959 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.972 1.711 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.314 1.797 4.173 1.00 0.00 H new ATOM 0 HG SER A 5 9.753 -0.400 4.706 1.00 0.00 H new ATOM 89 N LYS A 6 11.474 4.612 6.585 1.00 0.00 N ATOM 90 CA LYS A 6 11.396 6.039 6.411 1.00 0.00 C ATOM 91 C LYS A 6 12.782 6.549 6.319 1.00 0.00 C ATOM 92 O LYS A 6 13.171 7.200 5.355 1.00 0.00 O ATOM 93 CB LYS A 6 10.734 6.733 7.624 1.00 0.00 C ATOM 94 CG LYS A 6 11.093 8.226 7.784 1.00 0.00 C ATOM 95 CD LYS A 6 10.938 9.034 6.493 1.00 0.00 C ATOM 96 CE LYS A 6 11.710 10.362 6.528 1.00 0.00 C ATOM 0 H LYS A 6 12.178 4.307 7.257 1.00 0.00 H new ATOM 0 HA LYS A 6 10.802 6.248 5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.652 6.641 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.024 6.204 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.459 8.663 8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.122 8.308 8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.289 8.437 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.881 9.237 6.321 1.00 0.00 H new ATOM 107 N PHE A 7 13.566 6.209 7.337 1.00 0.00 N ATOM 108 CA PHE A 7 14.915 6.652 7.438 1.00 0.00 C ATOM 109 C PHE A 7 15.670 6.322 6.179 1.00 0.00 C ATOM 110 O PHE A 7 16.456 7.137 5.701 1.00 0.00 O ATOM 111 CB PHE A 7 15.581 5.933 8.590 1.00 0.00 C ATOM 112 CG PHE A 7 14.877 6.124 9.860 1.00 0.00 C ATOM 113 CD1 PHE A 7 14.074 5.121 10.340 1.00 0.00 C ATOM 114 CD2 PHE A 7 14.993 7.299 10.557 1.00 0.00 C ATOM 115 CE1 PHE A 7 13.395 5.286 11.502 1.00 0.00 C ATOM 116 CE2 PHE A 7 14.314 7.462 11.726 1.00 0.00 C ATOM 117 CZ PHE A 7 13.517 6.452 12.191 1.00 0.00 C ATOM 0 H PHE A 7 13.264 5.615 8.109 1.00 0.00 H new ATOM 0 HA PHE A 7 14.921 7.731 7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.634 4.868 8.366 1.00 0.00 H new ATOM 0 HB3 PHE A 7 16.606 6.289 8.691 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.982 4.196 9.790 1.00 0.00 H new ATOM 0 HD2 PHE A 7 15.621 8.093 10.180 1.00 0.00 H new ATOM 0 HE1 PHE A 7 12.761 4.496 11.878 1.00 0.00 H new ATOM 0 HE2 PHE A 7 14.404 8.383 12.283 1.00 0.00 H new ATOM 0 HZ PHE A 7 12.978 6.582 13.118 1.00 0.00 H new ATOM 127 N PHE A 8 15.450 5.118 5.602 1.00 0.00 N ATOM 128 CA PHE A 8 16.159 4.774 4.397 1.00 0.00 C ATOM 129 C PHE A 8 15.275 5.027 3.213 1.00 0.00 C ATOM 130 O PHE A 8 15.761 5.132 2.093 1.00 0.00 O ATOM 131 CB PHE A 8 16.655 3.318 4.336 1.00 0.00 C ATOM 132 CG PHE A 8 16.076 2.444 5.385 1.00 0.00 C ATOM 133 CD1 PHE A 8 15.038 1.593 5.091 1.00 0.00 C ATOM 134 CD2 PHE A 8 16.574 2.484 6.664 1.00 0.00 C ATOM 135 CE1 PHE A 8 14.504 0.792 6.065 1.00 0.00 C ATOM 136 CE2 PHE A 8 16.041 1.687 7.638 1.00 0.00 C ATOM 137 CZ PHE A 8 15.005 0.839 7.340 1.00 0.00 C ATOM 0 H PHE A 8 14.808 4.407 5.952 1.00 0.00 H new ATOM 0 HA PHE A 8 17.049 5.404 4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 8 16.415 2.903 3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 8 17.741 3.310 4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.641 1.556 4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 8 17.391 3.149 6.902 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.689 0.124 5.829 1.00 0.00 H new ATOM 0 HE2 PHE A 8 16.436 1.725 8.643 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.584 0.209 8.109 1.00 0.00 H new ATOM 147 N ARG A 9 13.945 5.121 3.425 1.00 0.00 N ATOM 148 CA ARG A 9 13.047 5.387 2.328 1.00 0.00 C ATOM 149 C ARG A 9 13.344 6.760 1.805 1.00 0.00 C ATOM 150 O ARG A 9 13.325 6.997 0.598 1.00 0.00 O ATOM 151 CB ARG A 9 11.571 5.339 2.731 1.00 0.00 C ATOM 152 CG ARG A 9 10.639 5.528 1.539 1.00 0.00 C ATOM 153 CD ARG A 9 9.666 4.362 1.390 1.00 0.00 C ATOM 154 NE ARG A 9 8.594 4.748 0.419 1.00 0.00 N ATOM 155 CZ ARG A 9 8.781 4.594 -0.928 1.00 0.00 C ATOM 156 NH1 ARG A 9 9.954 4.088 -1.409 1.00 0.00 N ATOM 157 NH2 ARG A 9 7.789 4.951 -1.793 1.00 0.00 N ATOM 0 H ARG A 9 13.495 5.016 4.334 1.00 0.00 H new ATOM 0 HA ARG A 9 13.206 4.611 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.358 4.382 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.373 6.115 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.079 6.456 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.229 5.627 0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.192 3.474 1.038 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.228 4.111 2.356 1.00 0.00 H new ATOM 0 HE ARG A 9 7.714 5.130 0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.698 3.822 -0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.087 3.976 -2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.913 5.331 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.923 4.838 -2.798 1.00 0.00 H new ATOM 171 N ASN A 10 13.619 7.705 2.730 1.00 0.00 N ATOM 172 CA ASN A 10 13.927 9.059 2.348 1.00 0.00 C ATOM 173 C ASN A 10 15.174 9.030 1.509 1.00 0.00 C ATOM 174 O ASN A 10 15.297 9.788 0.549 1.00 0.00 O ATOM 175 CB ASN A 10 14.156 9.985 3.559 1.00 0.00 C ATOM 176 CG ASN A 10 12.861 10.219 4.330 1.00 0.00 C ATOM 177 OD1 ASN A 10 11.803 10.409 3.733 1.00 0.00 O ATOM 178 ND2 ASN A 10 12.942 10.194 5.694 1.00 0.00 N ATOM 0 H ASN A 10 13.629 7.535 3.736 1.00 0.00 H new ATOM 0 HA ASN A 10 13.075 9.459 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.901 9.544 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.557 10.940 3.219 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.841 10.033 6.149 1.00 0.00 H new ATOM 184 N PHE A 11 16.148 8.158 1.873 1.00 0.00 N ATOM 185 CA PHE A 11 17.356 8.056 1.090 1.00 0.00 C ATOM 186 C PHE A 11 16.980 7.484 -0.251 1.00 0.00 C ATOM 187 O PHE A 11 17.274 8.082 -1.285 1.00 0.00 O ATOM 188 CB PHE A 11 18.429 7.144 1.729 1.00 0.00 C ATOM 189 CG PHE A 11 19.295 7.861 2.712 1.00 0.00 C ATOM 190 CD1 PHE A 11 19.260 7.543 4.053 1.00 0.00 C ATOM 191 CD2 PHE A 11 20.141 8.861 2.285 1.00 0.00 C ATOM 192 CE1 PHE A 11 20.059 8.214 4.949 1.00 0.00 C ATOM 193 CE2 PHE A 11 20.937 9.530 3.180 1.00 0.00 C ATOM 194 CZ PHE A 11 20.897 9.207 4.513 1.00 0.00 C ATOM 0 H PHE A 11 16.103 7.541 2.684 1.00 0.00 H new ATOM 0 HA PHE A 11 17.792 9.053 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 11 17.937 6.309 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 11 19.054 6.722 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.601 6.762 4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 11 20.178 9.120 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.026 7.958 5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 11 21.596 10.312 2.835 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.524 9.734 5.217 1.00 0.00 H new ATOM 204 N ILE A 12 16.295 6.309 -0.243 1.00 0.00 N ATOM 205 CA ILE A 12 15.851 5.678 -1.460 1.00 0.00 C ATOM 206 C ILE A 12 15.449 4.272 -1.119 1.00 0.00 C ATOM 207 O ILE A 12 16.184 3.531 -0.466 1.00 0.00 O ATOM 208 CB ILE A 12 16.887 5.626 -2.567 1.00 0.00 C ATOM 209 CG1 ILE A 12 16.426 4.712 -3.717 1.00 0.00 C ATOM 210 CG2 ILE A 12 18.243 5.170 -1.982 1.00 0.00 C ATOM 211 CD1 ILE A 12 15.225 5.278 -4.479 1.00 0.00 C ATOM 0 H ILE A 12 16.051 5.800 0.607 1.00 0.00 H new ATOM 0 HA ILE A 12 15.031 6.282 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 12 17.010 6.624 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 12 17.253 4.563 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.167 3.733 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.988 5.132 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.565 5.876 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 12 18.134 4.180 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.944 4.591 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.385 5.401 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.489 6.245 -4.908 1.00 0.00 H new ATOM 223 N LEU A 13 14.239 3.879 -1.561 1.00 0.00 N ATOM 224 CA LEU A 13 13.764 2.546 -1.326 1.00 0.00 C ATOM 225 C LEU A 13 13.022 2.133 -2.556 1.00 0.00 C ATOM 226 O LEU A 13 12.233 2.899 -3.112 1.00 0.00 O ATOM 227 CB LEU A 13 12.814 2.409 -0.120 1.00 0.00 C ATOM 228 CG LEU A 13 13.508 1.813 1.116 1.00 0.00 C ATOM 229 CD1 LEU A 13 12.576 1.825 2.338 1.00 0.00 C ATOM 230 CD2 LEU A 13 14.033 0.394 0.832 1.00 0.00 C ATOM 0 H LEU A 13 13.594 4.477 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 13 14.629 1.922 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.410 3.389 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.970 1.778 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 13 14.366 2.444 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.095 1.397 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.286 2.851 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.685 1.235 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.518 0.000 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.201 -0.253 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.752 0.429 0.014 1.00 0.00 H new ATOM 242 N GLN A 14 13.267 0.891 -3.001 1.00 0.00 N ATOM 243 CA GLN A 14 12.610 0.378 -4.170 1.00 0.00 C ATOM 244 C GLN A 14 12.243 -1.018 -3.824 1.00 0.00 C ATOM 245 O GLN A 14 12.687 -1.976 -4.453 1.00 0.00 O ATOM 246 CB GLN A 14 13.502 0.363 -5.425 1.00 0.00 C ATOM 247 CG GLN A 14 13.782 1.776 -5.942 1.00 0.00 C ATOM 248 CD GLN A 14 14.654 1.678 -7.189 1.00 0.00 C ATOM 249 OE1 GLN A 14 14.405 0.868 -8.078 1.00 0.00 O ATOM 250 NE2 GLN A 14 15.709 2.527 -7.261 1.00 0.00 N ATOM 0 H GLN A 14 13.916 0.241 -2.558 1.00 0.00 H new ATOM 0 HA GLN A 14 11.762 1.015 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 14 14.445 -0.133 -5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.018 -0.221 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.847 2.285 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.284 2.366 -5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 14 15.885 3.187 -6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 14 16.326 2.506 -8.073 1.00 0.00 H new ATOM 259 N ARG A 15 11.410 -1.150 -2.775 1.00 0.00 N ATOM 260 CA ARG A 15 10.997 -2.451 -2.319 1.00 0.00 C ATOM 261 C ARG A 15 10.212 -3.113 -3.416 1.00 0.00 C ATOM 262 O ARG A 15 10.352 -4.309 -3.664 1.00 0.00 O ATOM 263 CB ARG A 15 10.113 -2.402 -1.057 1.00 0.00 C ATOM 264 CG ARG A 15 10.883 -1.956 0.192 1.00 0.00 C ATOM 265 CD ARG A 15 11.895 -3.003 0.674 1.00 0.00 C ATOM 266 NE ARG A 15 11.148 -4.210 1.135 1.00 0.00 N ATOM 267 CZ ARG A 15 11.819 -5.346 1.488 1.00 0.00 C ATOM 268 NH1 ARG A 15 13.182 -5.382 1.429 1.00 0.00 N ATOM 269 NH2 ARG A 15 11.125 -6.445 1.902 1.00 0.00 N ATOM 0 H ARG A 15 11.024 -0.369 -2.245 1.00 0.00 H new ATOM 0 HA ARG A 15 11.901 -3.004 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.281 -1.719 -1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.684 -3.389 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.406 -1.024 -0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.175 -1.746 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.580 -3.267 -0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.500 -2.599 1.486 1.00 0.00 H new ATOM 0 HE ARG A 15 10.130 -4.186 1.187 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.701 -4.560 1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.682 -6.231 1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.106 -6.418 1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.625 -7.294 2.166 1.00 0.00 H new ATOM 283 N LYS A 16 9.359 -2.325 -4.102 1.00 0.00 N ATOM 284 CA LYS A 16 8.568 -2.859 -5.179 1.00 0.00 C ATOM 285 C LYS A 16 9.206 -2.380 -6.447 1.00 0.00 C ATOM 286 O LYS A 16 8.799 -1.371 -7.020 1.00 0.00 O ATOM 287 CB LYS A 16 7.103 -2.374 -5.156 1.00 0.00 C ATOM 288 CG LYS A 16 6.232 -3.159 -4.168 1.00 0.00 C ATOM 289 CD LYS A 16 5.980 -4.608 -4.606 1.00 0.00 C ATOM 290 CE LYS A 16 5.067 -4.704 -5.831 1.00 0.00 C ATOM 291 NZ LYS A 16 4.764 -6.120 -6.134 1.00 0.00 N ATOM 0 H LYS A 16 9.216 -1.332 -3.917 1.00 0.00 H new ATOM 0 HA LYS A 16 8.540 -3.945 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.079 -1.316 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.680 -2.463 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.713 -3.160 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.275 -2.649 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.933 -5.087 -4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.532 -5.160 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.142 -4.158 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.548 -4.236 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.144 -6.172 -6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.649 -6.630 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.286 -6.555 -5.319 1.00 0.00 H new ATOM 305 N LYS A 17 10.237 -3.111 -6.917 1.00 0.00 N ATOM 306 CA LYS A 17 10.918 -2.726 -8.124 1.00 0.00 C ATOM 307 C LYS A 17 10.418 -3.635 -9.252 1.00 0.00 C ATOM 308 O LYS A 17 10.501 -4.884 -9.091 1.00 0.00 O ATOM 309 CB LYS A 17 12.447 -2.882 -8.014 1.00 0.00 C ATOM 310 CG LYS A 17 13.182 -2.361 -9.248 1.00 0.00 C ATOM 311 CD LYS A 17 14.703 -2.470 -9.111 1.00 0.00 C ATOM 312 CE LYS A 17 15.443 -1.966 -10.351 1.00 0.00 C ATOM 313 NZ LYS A 17 15.194 -0.521 -10.546 1.00 0.00 N ATOM 314 OXT LYS A 17 9.949 -3.090 -10.289 1.00 0.00 O ATOM 0 H LYS A 17 10.596 -3.955 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 17 10.707 -1.674 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.800 -2.347 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.691 -3.934 -7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.858 -2.922 -10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.909 -1.319 -9.417 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.028 -1.898 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.974 -3.510 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.513 -2.146 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.114 -2.520 -11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.059 -0.064 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.428 -0.391 -11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.920 -0.091 -9.640 1.00 0.00 H new TER 328 LYS A 17