USER MOD reduce.3.24.130724 H: found=0, std=0, add=167, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 165 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 1 VAL N :NH3+ 179:sc= -0.453 (180deg=-0.454) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -39:sc= 0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.970 -0.874 -0.503 1.00 0.00 N ATOM 2 CA VAL A 1 2.500 -0.507 -1.811 1.00 0.00 C ATOM 3 C VAL A 1 2.299 -1.632 -2.820 1.00 0.00 C ATOM 4 O VAL A 1 2.125 -1.385 -4.014 1.00 0.00 O ATOM 5 CB VAL A 1 3.999 -0.164 -1.733 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.801 -1.373 -1.272 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.502 0.337 -3.078 1.00 0.00 C ATOM 0 H1 VAL A 1 2.135 -0.097 0.169 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.949 -1.054 -0.580 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.448 -1.733 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 1 1.950 0.375 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 1 4.133 0.632 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.858 -1.111 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.458 -1.682 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.662 -2.192 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.563 0.575 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.355 -0.436 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.949 1.232 -3.363 1.00 0.00 H new ATOM 17 N SER A 2 2.324 -2.868 -2.333 1.00 0.00 N ATOM 18 CA SER A 2 2.148 -4.033 -3.193 1.00 0.00 C ATOM 19 C SER A 2 0.670 -4.267 -3.495 1.00 0.00 C ATOM 20 O SER A 2 0.322 -4.947 -4.460 1.00 0.00 O ATOM 21 CB SER A 2 2.748 -5.276 -2.534 1.00 0.00 C ATOM 22 OG SER A 2 2.567 -6.422 -3.348 1.00 0.00 O ATOM 0 H SER A 2 2.464 -3.089 -1.347 1.00 0.00 H new ATOM 0 HA SER A 2 2.668 -3.842 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.811 -5.118 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.280 -5.438 -1.563 1.00 0.00 H new ATOM 0 HG SER A 2 2.960 -7.203 -2.906 1.00 0.00 H new ATOM 28 N VAL A 3 -0.195 -3.697 -2.662 1.00 0.00 N ATOM 29 CA VAL A 3 -1.635 -3.842 -2.838 1.00 0.00 C ATOM 30 C VAL A 3 -2.164 -2.851 -3.869 1.00 0.00 C ATOM 31 O VAL A 3 -3.250 -3.034 -4.420 1.00 0.00 O ATOM 32 CB VAL A 3 -2.387 -3.635 -1.510 1.00 0.00 C ATOM 33 CG1 VAL A 3 -3.874 -3.898 -1.691 1.00 0.00 C ATOM 34 CG2 VAL A 3 -1.807 -4.529 -0.425 1.00 0.00 C ATOM 0 H VAL A 3 0.077 -3.130 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.810 -4.858 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.262 -2.598 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.388 -3.747 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.277 -3.212 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.024 -4.925 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.350 -4.370 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.900 -5.573 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.755 -4.286 -0.277 1.00 0.00 H new ATOM 44 N ASP A 4 -1.391 -1.802 -4.125 1.00 0.00 N ATOM 45 CA ASP A 4 -1.781 -0.782 -5.091 1.00 0.00 C ATOM 46 C ASP A 4 -1.893 -1.376 -6.492 1.00 0.00 C ATOM 47 O ASP A 4 -2.910 -1.237 -7.172 1.00 0.00 O ATOM 48 CB ASP A 4 -0.770 0.365 -5.090 1.00 0.00 C ATOM 49 CG ASP A 4 -0.714 1.090 -6.420 1.00 0.00 C ATOM 50 OD1 ASP A 4 -1.778 1.536 -6.898 1.00 0.00 O ATOM 51 OD2 ASP A 4 0.394 1.211 -6.984 1.00 0.00 O ATOM 0 H ASP A 4 -0.490 -1.635 -3.677 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.758 -0.395 -4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.030 1.074 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.219 -0.027 -4.851 1.00 0.00 H new ATOM 56 N PRO A 5 -0.823 -2.052 -6.936 1.00 0.00 N ATOM 57 CA PRO A 5 -0.777 -2.680 -8.260 1.00 0.00 C ATOM 58 C PRO A 5 -1.704 -3.886 -8.363 1.00 0.00 C ATOM 59 O PRO A 5 -1.880 -4.456 -9.440 1.00 0.00 O ATOM 60 CB PRO A 5 0.684 -3.116 -8.395 1.00 0.00 C ATOM 61 CG PRO A 5 1.160 -3.285 -6.993 1.00 0.00 C ATOM 62 CD PRO A 5 0.423 -2.257 -6.179 1.00 0.00 C ATOM 0 HA PRO A 5 -1.108 -2.000 -9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.769 -4.046 -8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.273 -2.368 -8.926 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.954 -4.292 -6.630 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.238 -3.136 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.225 -2.612 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.994 -1.333 -6.087 1.00 0.00 H new ATOM 70 N PHE A 6 -2.296 -4.269 -7.236 1.00 0.00 N ATOM 71 CA PHE A 6 -3.205 -5.408 -7.200 1.00 0.00 C ATOM 72 C PHE A 6 -4.654 -4.944 -7.087 1.00 0.00 C ATOM 73 O PHE A 6 -5.585 -5.741 -7.212 1.00 0.00 O ATOM 74 CB PHE A 6 -2.860 -6.327 -6.026 1.00 0.00 C ATOM 75 CG PHE A 6 -2.044 -7.524 -6.421 1.00 0.00 C ATOM 76 CD1 PHE A 6 -2.659 -8.676 -6.883 1.00 0.00 C ATOM 77 CD2 PHE A 6 -0.661 -7.497 -6.331 1.00 0.00 C ATOM 78 CE1 PHE A 6 -1.911 -9.780 -7.247 1.00 0.00 C ATOM 79 CE2 PHE A 6 0.092 -8.598 -6.694 1.00 0.00 C ATOM 80 CZ PHE A 6 -0.533 -9.740 -7.153 1.00 0.00 C ATOM 0 H PHE A 6 -2.162 -3.807 -6.336 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.090 -5.962 -8.132 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.313 -5.756 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.784 -6.666 -5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.736 -8.712 -6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.166 -6.606 -5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.403 -10.673 -7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.169 -8.565 -6.619 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.054 -10.601 -7.438 1.00 0.00 H new ATOM 90 N TYR A 7 -4.838 -3.650 -6.851 1.00 0.00 N ATOM 91 CA TYR A 7 -6.173 -3.078 -6.718 1.00 0.00 C ATOM 92 C TYR A 7 -6.991 -3.306 -7.985 1.00 0.00 C ATOM 93 O TYR A 7 -8.088 -3.861 -7.936 1.00 0.00 O ATOM 94 CB TYR A 7 -6.082 -1.581 -6.418 1.00 0.00 C ATOM 95 CG TYR A 7 -6.210 -1.249 -4.949 1.00 0.00 C ATOM 96 CD1 TYR A 7 -7.173 -1.864 -4.158 1.00 0.00 C ATOM 97 CD2 TYR A 7 -5.367 -0.320 -4.351 1.00 0.00 C ATOM 98 CE1 TYR A 7 -7.293 -1.563 -2.816 1.00 0.00 C ATOM 99 CE2 TYR A 7 -5.480 -0.014 -3.008 1.00 0.00 C ATOM 100 CZ TYR A 7 -6.445 -0.637 -2.245 1.00 0.00 C ATOM 101 OH TYR A 7 -6.561 -0.336 -0.908 1.00 0.00 O ATOM 0 H TYR A 7 -4.079 -2.977 -6.748 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.674 -3.577 -5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.128 -1.203 -6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.865 -1.060 -6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.839 -2.590 -4.601 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.611 0.171 -4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.047 -2.050 -2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.816 0.709 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.888 0.334 -0.664 1.00 0.00 H new ATOM 111 N GLU A 8 -6.447 -2.874 -9.119 1.00 0.00 N ATOM 112 CA GLU A 8 -7.127 -3.030 -10.399 1.00 0.00 C ATOM 113 C GLU A 8 -7.386 -4.504 -10.701 1.00 0.00 C ATOM 114 O GLU A 8 -8.255 -4.840 -11.506 1.00 0.00 O ATOM 115 CB GLU A 8 -6.295 -2.407 -11.523 1.00 0.00 C ATOM 116 CG GLU A 8 -5.014 -3.167 -11.825 1.00 0.00 C ATOM 117 CD GLU A 8 -3.904 -2.263 -12.325 1.00 0.00 C ATOM 118 OE1 GLU A 8 -4.189 -1.376 -13.156 1.00 0.00 O ATOM 119 OE2 GLU A 8 -2.750 -2.443 -11.884 1.00 0.00 O ATOM 0 H GLU A 8 -5.538 -2.414 -9.177 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.086 -2.515 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.901 -2.359 -12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.044 -1.381 -11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.680 -3.682 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.218 -3.933 -12.573 1.00 0.00 H new ATOM 126 N MET A 9 -6.625 -5.378 -10.050 1.00 0.00 N ATOM 127 CA MET A 9 -6.773 -6.815 -10.248 1.00 0.00 C ATOM 128 C MET A 9 -7.933 -7.361 -9.422 1.00 0.00 C ATOM 129 O MET A 9 -8.912 -7.871 -9.969 1.00 0.00 O ATOM 130 CB MET A 9 -5.479 -7.539 -9.873 1.00 0.00 C ATOM 131 CG MET A 9 -4.222 -6.798 -10.301 1.00 0.00 C ATOM 132 SD MET A 9 -4.140 -6.542 -12.084 1.00 0.00 S ATOM 133 CE MET A 9 -2.369 -6.443 -12.330 1.00 0.00 C ATOM 0 H MET A 9 -5.900 -5.116 -9.382 1.00 0.00 H new ATOM 0 HA MET A 9 -6.987 -6.991 -11.302 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.454 -7.686 -8.793 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.481 -8.529 -10.330 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.185 -5.832 -9.797 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.346 -7.360 -9.978 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.157 -6.285 -13.387 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.967 -5.611 -11.751 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.903 -7.372 -12.001 1.00 0.00 H new ATOM 143 N LEU A 10 -7.817 -7.252 -8.103 1.00 0.00 N ATOM 144 CA LEU A 10 -8.857 -7.735 -7.201 1.00 0.00 C ATOM 145 C LEU A 10 -10.169 -6.994 -7.436 1.00 0.00 C ATOM 146 O LEU A 10 -11.236 -7.604 -7.495 1.00 0.00 O ATOM 147 CB LEU A 10 -8.416 -7.566 -5.746 1.00 0.00 C ATOM 148 CG LEU A 10 -7.020 -8.087 -5.404 1.00 0.00 C ATOM 149 CD1 LEU A 10 -6.394 -7.249 -4.299 1.00 0.00 C ATOM 150 CD2 LEU A 10 -7.082 -9.551 -4.995 1.00 0.00 C ATOM 0 H LEU A 10 -7.013 -6.834 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.018 -8.794 -7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.458 -6.506 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.138 -8.074 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.395 -8.005 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.401 -7.634 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.314 -6.213 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.018 -7.298 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.079 -9.905 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.723 -9.657 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.488 -10.141 -5.816 1.00 0.00 H new ATOM 162 N ALA A 11 -10.082 -5.675 -7.571 1.00 0.00 N ATOM 163 CA ALA A 11 -11.262 -4.851 -7.804 1.00 0.00 C ATOM 164 C ALA A 11 -11.859 -5.124 -9.180 1.00 0.00 C ATOM 165 O ALA A 11 -12.945 -5.692 -9.294 1.00 0.00 O ATOM 166 CB ALA A 11 -10.913 -3.377 -7.661 1.00 0.00 C ATOM 0 H ALA A 11 -9.207 -5.154 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.010 -5.110 -7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.803 -2.773 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.540 -3.187 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.145 -3.113 -8.388 1.00 0.00 H new ATOM 172 N ALA A 12 -11.144 -4.715 -10.223 1.00 0.00 N ATOM 173 CA ALA A 12 -11.603 -4.917 -11.591 1.00 0.00 C ATOM 174 C ALA A 12 -11.466 -6.378 -12.006 1.00 0.00 C ATOM 175 O ALA A 12 -10.380 -6.953 -11.939 1.00 0.00 O ATOM 176 CB ALA A 12 -10.828 -4.021 -12.546 1.00 0.00 C ATOM 0 H ALA A 12 -10.244 -4.241 -10.146 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.659 -4.651 -11.636 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.182 -4.183 -13.564 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.980 -2.977 -12.270 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.766 -4.260 -12.488 1.00 0.00 H new ATOM 182 N ARG A 13 -12.575 -6.973 -12.434 1.00 0.00 N ATOM 183 CA ARG A 13 -12.579 -8.368 -12.858 1.00 0.00 C ATOM 184 C ARG A 13 -11.954 -8.517 -14.242 1.00 0.00 C ATOM 185 O ARG A 13 -11.783 -9.630 -14.741 1.00 0.00 O ATOM 186 CB ARG A 13 -14.007 -8.916 -12.870 1.00 0.00 C ATOM 187 CG ARG A 13 -14.650 -8.909 -14.247 1.00 0.00 C ATOM 188 CD ARG A 13 -14.760 -7.498 -14.803 1.00 0.00 C ATOM 189 NE ARG A 13 -16.150 -7.086 -14.981 1.00 0.00 N ATOM 190 CZ ARG A 13 -16.888 -6.553 -14.014 1.00 0.00 C ATOM 191 NH1 ARG A 13 -16.371 -6.367 -12.807 1.00 0.00 N ATOM 192 NH2 ARG A 13 -18.145 -6.203 -14.253 1.00 0.00 N ATOM 0 H ARG A 13 -13.482 -6.511 -12.496 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.984 -8.940 -12.146 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -13.999 -9.937 -12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.620 -8.325 -12.189 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.062 -9.525 -14.928 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.642 -9.357 -14.189 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.259 -6.803 -14.129 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.241 -7.444 -15.760 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.577 -7.215 -15.898 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.404 -6.633 -12.620 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.940 -5.957 -12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.546 -6.343 -15.180 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.711 -5.794 -13.509 1.00 0.00 H new ATOM 206 N LYS A 14 -11.614 -7.389 -14.857 1.00 0.00 N ATOM 207 CA LYS A 14 -11.007 -7.393 -16.182 1.00 0.00 C ATOM 208 C LYS A 14 -9.670 -8.127 -16.167 1.00 0.00 C ATOM 209 O LYS A 14 -9.159 -8.531 -17.212 1.00 0.00 O ATOM 210 CB LYS A 14 -10.808 -5.959 -16.679 1.00 0.00 C ATOM 211 CG LYS A 14 -12.058 -5.102 -16.578 1.00 0.00 C ATOM 212 CD LYS A 14 -11.880 -3.772 -17.292 1.00 0.00 C ATOM 213 CE LYS A 14 -11.273 -2.723 -16.374 1.00 0.00 C ATOM 214 NZ LYS A 14 -11.557 -1.340 -16.848 1.00 0.00 N ATOM 0 H LYS A 14 -11.749 -6.460 -14.458 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.681 -7.916 -16.861 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.009 -5.491 -16.103 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.479 -5.986 -17.718 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.904 -5.638 -17.010 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.295 -4.924 -15.529 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.240 -3.909 -18.163 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.845 -3.422 -17.658 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.668 -2.850 -15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.195 -2.872 -16.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.126 -0.654 -16.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.158 -1.210 -17.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.585 -1.188 -16.880 1.00 0.00 H new ATOM 228 N LYS A 15 -9.108 -8.299 -14.975 1.00 0.00 N ATOM 229 CA LYS A 15 -7.832 -8.987 -14.822 1.00 0.00 C ATOM 230 C LYS A 15 -7.919 -10.416 -15.346 1.00 0.00 C ATOM 231 O LYS A 15 -7.224 -10.783 -16.294 1.00 0.00 O ATOM 232 CB LYS A 15 -7.407 -8.996 -13.352 1.00 0.00 C ATOM 233 CG LYS A 15 -5.982 -9.475 -13.134 1.00 0.00 C ATOM 234 CD LYS A 15 -5.932 -10.967 -12.854 1.00 0.00 C ATOM 235 CE LYS A 15 -5.956 -11.255 -11.360 1.00 0.00 C ATOM 236 NZ LYS A 15 -5.732 -12.699 -11.070 1.00 0.00 N ATOM 0 H LYS A 15 -9.517 -7.971 -14.100 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.085 -8.449 -15.406 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.509 -7.989 -12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.087 -9.636 -12.790 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.382 -9.249 -14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.538 -8.932 -12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.779 -11.457 -13.334 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.029 -11.391 -13.293 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.188 -10.661 -10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.916 -10.946 -10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.756 -12.854 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.479 -13.264 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.805 -12.988 -11.443 1.00 0.00 H new ATOM 250 N ARG A 16 -8.776 -11.219 -14.725 1.00 0.00 N ATOM 251 CA ARG A 16 -8.953 -12.608 -15.129 1.00 0.00 C ATOM 252 C ARG A 16 -9.426 -12.697 -16.577 1.00 0.00 C ATOM 253 O ARG A 16 -9.285 -13.735 -17.224 1.00 0.00 O ATOM 254 CB ARG A 16 -9.959 -13.305 -14.210 1.00 0.00 C ATOM 255 CG ARG A 16 -11.402 -12.910 -14.476 1.00 0.00 C ATOM 256 CD ARG A 16 -12.243 -12.990 -13.211 1.00 0.00 C ATOM 257 NE ARG A 16 -13.584 -13.505 -13.477 1.00 0.00 N ATOM 258 CZ ARG A 16 -13.830 -14.758 -13.843 1.00 0.00 C ATOM 259 NH1 ARG A 16 -12.832 -15.619 -13.986 1.00 0.00 N ATOM 260 NH2 ARG A 16 -15.078 -15.152 -14.067 1.00 0.00 N ATOM 0 H ARG A 16 -9.359 -10.931 -13.939 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.988 -13.109 -15.048 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.859 -14.384 -14.328 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.713 -13.073 -13.174 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.436 -11.895 -14.873 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.825 -13.565 -15.238 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.745 -13.633 -12.485 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.317 -12.000 -12.762 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.374 -12.868 -13.376 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.872 -15.320 -13.815 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.024 -16.580 -14.267 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.848 -14.492 -13.958 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.266 -16.114 -14.348 1.00 0.00 H new ATOM 274 N ILE A 17 -9.986 -11.602 -17.079 1.00 0.00 N ATOM 275 CA ILE A 17 -10.479 -11.556 -18.451 1.00 0.00 C ATOM 276 C ILE A 17 -9.341 -11.307 -19.435 1.00 0.00 C ATOM 277 O ILE A 17 -9.303 -11.893 -20.517 1.00 0.00 O ATOM 278 CB ILE A 17 -11.546 -10.461 -18.629 1.00 0.00 C ATOM 279 CG1 ILE A 17 -12.725 -10.708 -17.685 1.00 0.00 C ATOM 280 CG2 ILE A 17 -12.020 -10.413 -20.074 1.00 0.00 C ATOM 281 CD1 ILE A 17 -13.740 -9.587 -17.679 1.00 0.00 C ATOM 0 H ILE A 17 -10.110 -10.735 -16.557 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.929 -12.527 -18.658 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.101 -9.498 -18.380 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.221 -11.635 -17.972 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.346 -10.849 -16.673 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.774 -9.634 -20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.175 -10.195 -20.727 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.451 -11.376 -20.348 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.547 -9.831 -16.988 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.258 -8.662 -17.363 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.147 -9.460 -18.682 1.00 0.00 H new ATOM 293 N SER A 18 -8.415 -10.434 -19.052 1.00 0.00 N ATOM 294 CA SER A 18 -7.276 -10.106 -19.901 1.00 0.00 C ATOM 295 C SER A 18 -6.188 -11.170 -19.788 1.00 0.00 C ATOM 296 O SER A 18 -5.130 -11.061 -20.407 1.00 0.00 O ATOM 297 CB SER A 18 -6.708 -8.737 -19.521 1.00 0.00 C ATOM 298 OG SER A 18 -5.828 -8.255 -20.522 1.00 0.00 O ATOM 0 H SER A 18 -8.431 -9.941 -18.159 1.00 0.00 H new ATOM 0 HA SER A 18 -7.622 -10.075 -20.934 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.524 -8.028 -19.377 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.178 -8.810 -18.571 1.00 0.00 H new ATOM 0 HG SER A 18 -5.296 -8.998 -20.876 1.00 0.00 H new ATOM 304 N VAL A 19 -6.457 -12.199 -18.991 1.00 0.00 N ATOM 305 CA VAL A 19 -5.503 -13.284 -18.796 1.00 0.00 C ATOM 306 C VAL A 19 -5.170 -13.967 -20.118 1.00 0.00 C ATOM 307 O VAL A 19 -6.041 -14.163 -20.965 1.00 0.00 O ATOM 308 CB VAL A 19 -6.044 -14.336 -17.810 1.00 0.00 C ATOM 309 CG1 VAL A 19 -7.130 -15.176 -18.466 1.00 0.00 C ATOM 310 CG2 VAL A 19 -4.914 -15.217 -17.298 1.00 0.00 C ATOM 0 H VAL A 19 -7.328 -12.304 -18.470 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.598 -12.839 -18.382 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.484 -13.817 -16.959 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.500 -15.914 -17.754 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.951 -14.530 -18.778 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.719 -15.687 -19.337 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.314 -15.955 -16.602 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.442 -15.728 -18.137 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.175 -14.600 -16.787 1.00 0.00 H new