USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 582 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 GLY N :NH3+ -131:sc= 0.0276 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -147:sc= -0.146 (180deg=-0.984) USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= -0.0379 (180deg=-0.301) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.255) USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.585) USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= 1.33 (180deg=0.97) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot -7:sc= -11.4! USER MOD Single : A 38 LYS NZ :NH3+ -163:sc=-0.00434 (180deg=-0.602) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0.101 (180deg=0.0711) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -145:sc= -0.0498 (180deg=-0.772) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.748 -5.102 10.281 1.00 0.00 N ATOM 2 CA GLY A 1 -16.262 -5.202 8.878 1.00 0.00 C ATOM 3 C GLY A 1 -16.946 -4.214 7.953 1.00 0.00 C ATOM 4 O GLY A 1 -17.380 -3.147 8.388 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.935 -5.050 10.927 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.330 -4.246 10.387 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.320 -5.940 10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.186 -5.029 8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.430 -6.214 8.510 1.00 0.00 H new ATOM 10 N SER A 2 -17.041 -4.568 6.677 1.00 0.00 N ATOM 11 CA SER A 2 -17.676 -3.706 5.686 1.00 0.00 C ATOM 12 C SER A 2 -16.972 -2.356 5.605 1.00 0.00 C ATOM 13 O SER A 2 -17.588 -1.341 5.281 1.00 0.00 O ATOM 14 CB SER A 2 -19.154 -3.504 6.026 1.00 0.00 C ATOM 15 OG SER A 2 -19.940 -3.407 4.850 1.00 0.00 O ATOM 0 H SER A 2 -16.686 -5.448 6.303 1.00 0.00 H new ATOM 0 HA SER A 2 -17.597 -4.194 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.507 -4.336 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.273 -2.599 6.622 1.00 0.00 H new ATOM 0 HG SER A 2 -20.880 -3.280 5.095 1.00 0.00 H new ATOM 21 N ARG A 3 -15.676 -2.354 5.896 1.00 0.00 N ATOM 22 CA ARG A 3 -14.883 -1.131 5.852 1.00 0.00 C ATOM 23 C ARG A 3 -13.393 -1.453 5.773 1.00 0.00 C ATOM 24 O ARG A 3 -12.653 -0.820 5.021 1.00 0.00 O ATOM 25 CB ARG A 3 -15.179 -0.254 7.072 1.00 0.00 C ATOM 26 CG ARG A 3 -14.773 -0.880 8.395 1.00 0.00 C ATOM 27 CD ARG A 3 -13.392 -0.413 8.827 1.00 0.00 C ATOM 28 NE ARG A 3 -13.319 1.041 8.947 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.935 1.740 9.898 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.656 1.121 10.826 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.826 3.062 9.925 1.00 0.00 N ATOM 0 H ARG A 3 -15.152 -3.186 6.165 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.160 -0.579 4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.660 0.698 6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.246 -0.034 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.503 -0.621 9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.780 -1.966 8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.138 -0.869 9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.651 -0.755 8.104 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.763 1.551 8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.740 0.105 10.813 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.126 1.662 11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.270 3.542 9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.298 3.598 10.653 1.00 0.00 H new ATOM 45 N VAL A 4 -12.961 -2.445 6.546 1.00 0.00 N ATOM 46 CA VAL A 4 -11.561 -2.854 6.548 1.00 0.00 C ATOM 47 C VAL A 4 -11.213 -3.582 5.256 1.00 0.00 C ATOM 48 O VAL A 4 -10.171 -3.328 4.650 1.00 0.00 O ATOM 49 CB VAL A 4 -11.242 -3.770 7.744 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.750 -4.053 7.818 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.739 -3.146 9.040 1.00 0.00 C ATOM 0 H VAL A 4 -13.559 -2.979 7.177 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.961 -1.948 6.631 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.760 -4.718 7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.545 -4.702 8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.427 -4.545 6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.207 -3.115 7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.505 -3.807 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.250 -2.183 9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.818 -3.000 8.983 1.00 0.00 H new ATOM 61 N LYS A 5 -12.097 -4.483 4.834 1.00 0.00 N ATOM 62 CA LYS A 5 -11.884 -5.239 3.606 1.00 0.00 C ATOM 63 C LYS A 5 -11.763 -4.293 2.418 1.00 0.00 C ATOM 64 O LYS A 5 -10.884 -4.449 1.576 1.00 0.00 O ATOM 65 CB LYS A 5 -13.029 -6.229 3.378 1.00 0.00 C ATOM 66 CG LYS A 5 -13.035 -6.850 1.987 1.00 0.00 C ATOM 67 CD LYS A 5 -11.685 -7.460 1.643 1.00 0.00 C ATOM 68 CE LYS A 5 -11.831 -8.875 1.105 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.517 -9.469 0.736 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.964 -4.706 5.323 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.955 -5.801 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.963 -7.024 4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.978 -5.718 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.807 -7.618 1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.291 -6.090 1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.182 -6.838 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.053 -7.471 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.314 -9.500 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.483 -8.865 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.661 -10.433 0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.067 -8.887 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.903 -9.502 1.575 1.00 0.00 H new ATOM 83 N ALA A 6 -12.646 -3.300 2.368 1.00 0.00 N ATOM 84 CA ALA A 6 -12.630 -2.319 1.294 1.00 0.00 C ATOM 85 C ALA A 6 -11.270 -1.636 1.228 1.00 0.00 C ATOM 86 O ALA A 6 -10.771 -1.312 0.150 1.00 0.00 O ATOM 87 CB ALA A 6 -13.736 -1.295 1.498 1.00 0.00 C ATOM 0 H ALA A 6 -13.381 -3.156 3.060 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.807 -2.830 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.712 -0.567 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.702 -1.799 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.587 -0.784 2.449 1.00 0.00 H new ATOM 93 N LEU A 7 -10.677 -1.432 2.399 1.00 0.00 N ATOM 94 CA LEU A 7 -9.369 -0.801 2.506 1.00 0.00 C ATOM 95 C LEU A 7 -8.324 -1.594 1.728 1.00 0.00 C ATOM 96 O LEU A 7 -7.458 -1.024 1.063 1.00 0.00 O ATOM 97 CB LEU A 7 -8.967 -0.715 3.978 1.00 0.00 C ATOM 98 CG LEU A 7 -8.285 0.586 4.395 1.00 0.00 C ATOM 99 CD1 LEU A 7 -7.008 0.799 3.597 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.233 1.763 4.219 1.00 0.00 C ATOM 0 H LEU A 7 -11.087 -1.698 3.294 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.425 0.202 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.859 -0.850 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.297 -1.545 4.204 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.019 0.515 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.536 1.731 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.325 -0.031 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.247 0.850 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.731 2.682 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.530 1.838 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.118 1.613 4.837 1.00 0.00 H new ATOM 112 N GLU A 8 -8.416 -2.914 1.821 1.00 0.00 N ATOM 113 CA GLU A 8 -7.488 -3.806 1.136 1.00 0.00 C ATOM 114 C GLU A 8 -7.633 -3.706 -0.385 1.00 0.00 C ATOM 115 O GLU A 8 -6.667 -3.895 -1.121 1.00 0.00 O ATOM 116 CB GLU A 8 -7.706 -5.255 1.604 1.00 0.00 C ATOM 117 CG GLU A 8 -8.681 -6.054 0.748 1.00 0.00 C ATOM 118 CD GLU A 8 -7.995 -6.777 -0.394 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.840 -7.217 -0.210 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.610 -6.905 -1.473 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.130 -3.394 2.369 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.474 -3.498 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.745 -5.769 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.071 -5.241 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.198 -6.780 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.440 -5.383 0.345 1.00 0.00 H new ATOM 127 N GLU A 9 -8.850 -3.429 -0.844 1.00 0.00 N ATOM 128 CA GLU A 9 -9.132 -3.328 -2.274 1.00 0.00 C ATOM 129 C GLU A 9 -8.437 -2.126 -2.915 1.00 0.00 C ATOM 130 O GLU A 9 -7.986 -2.205 -4.057 1.00 0.00 O ATOM 131 CB GLU A 9 -10.640 -3.233 -2.508 1.00 0.00 C ATOM 132 CG GLU A 9 -11.428 -4.362 -1.864 1.00 0.00 C ATOM 133 CD GLU A 9 -12.904 -4.315 -2.211 1.00 0.00 C ATOM 134 OE1 GLU A 9 -13.231 -3.994 -3.373 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -13.733 -4.599 -1.320 1.00 0.00 O ATOM 0 H GLU A 9 -9.660 -3.270 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.740 -4.230 -2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.000 -2.281 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.833 -3.232 -3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.014 -5.318 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.311 -4.310 -0.782 1.00 0.00 H new ATOM 142 N LYS A 10 -8.367 -1.014 -2.190 1.00 0.00 N ATOM 143 CA LYS A 10 -7.739 0.196 -2.714 1.00 0.00 C ATOM 144 C LYS A 10 -6.221 0.052 -2.798 1.00 0.00 C ATOM 145 O LYS A 10 -5.587 0.588 -3.707 1.00 0.00 O ATOM 146 CB LYS A 10 -8.109 1.408 -1.852 1.00 0.00 C ATOM 147 CG LYS A 10 -7.632 1.311 -0.410 1.00 0.00 C ATOM 148 CD LYS A 10 -7.112 2.647 0.101 1.00 0.00 C ATOM 149 CE LYS A 10 -8.040 3.246 1.145 1.00 0.00 C ATOM 150 NZ LYS A 10 -9.467 3.168 0.730 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.735 -0.925 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.116 0.350 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.686 2.305 -2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.192 1.528 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.453 0.974 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.844 0.561 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.119 2.512 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.006 3.340 -0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.908 2.722 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.768 4.288 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.981 3.994 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.527 3.158 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.892 2.298 1.110 1.00 0.00 H new ATOM 164 N VAL A 11 -5.644 -0.666 -1.843 1.00 0.00 N ATOM 165 CA VAL A 11 -4.201 -0.876 -1.802 1.00 0.00 C ATOM 166 C VAL A 11 -3.720 -1.696 -2.998 1.00 0.00 C ATOM 167 O VAL A 11 -2.640 -1.456 -3.536 1.00 0.00 O ATOM 168 CB VAL A 11 -3.792 -1.595 -0.498 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.284 -1.781 -0.422 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.302 -0.828 0.714 1.00 0.00 C ATOM 0 H VAL A 11 -6.155 -1.115 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.732 0.107 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.249 -2.585 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.027 -2.290 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.948 -2.380 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.795 -0.807 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.005 -1.348 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.877 0.176 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.389 -0.762 0.672 1.00 0.00 H new ATOM 180 N LYS A 12 -4.529 -2.668 -3.398 1.00 0.00 N ATOM 181 CA LYS A 12 -4.200 -3.540 -4.519 1.00 0.00 C ATOM 182 C LYS A 12 -4.251 -2.792 -5.840 1.00 0.00 C ATOM 183 O LYS A 12 -3.433 -3.027 -6.728 1.00 0.00 O ATOM 184 CB LYS A 12 -5.140 -4.744 -4.560 1.00 0.00 C ATOM 185 CG LYS A 12 -4.409 -6.075 -4.634 1.00 0.00 C ATOM 186 CD LYS A 12 -4.704 -6.940 -3.421 1.00 0.00 C ATOM 187 CE LYS A 12 -4.315 -8.390 -3.659 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.202 -9.047 -4.659 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.426 -2.874 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.180 -3.893 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.772 -4.733 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.800 -4.652 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.705 -6.604 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.336 -5.898 -4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.161 -6.554 -2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.766 -6.882 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.282 -8.437 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.362 -8.937 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.127 -10.080 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.186 -8.754 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.912 -8.766 -5.618 1.00 0.00 H new ATOM 202 N ALA A 13 -5.217 -1.894 -5.968 1.00 0.00 N ATOM 203 CA ALA A 13 -5.362 -1.121 -7.190 1.00 0.00 C ATOM 204 C ALA A 13 -4.067 -0.383 -7.485 1.00 0.00 C ATOM 205 O ALA A 13 -3.649 -0.272 -8.636 1.00 0.00 O ATOM 206 CB ALA A 13 -6.521 -0.143 -7.069 1.00 0.00 C ATOM 0 H ALA A 13 -5.906 -1.685 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.578 -1.799 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.614 0.427 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.444 -0.693 -6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.336 0.539 -6.239 1.00 0.00 H new ATOM 212 N LEU A 14 -3.419 0.091 -6.428 1.00 0.00 N ATOM 213 CA LEU A 14 -2.145 0.784 -6.572 1.00 0.00 C ATOM 214 C LEU A 14 -1.051 -0.204 -6.960 1.00 0.00 C ATOM 215 O LEU A 14 -0.092 0.140 -7.645 1.00 0.00 O ATOM 216 CB LEU A 14 -1.767 1.509 -5.282 1.00 0.00 C ATOM 217 CG LEU A 14 -1.014 2.826 -5.487 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.431 3.852 -4.442 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.490 2.596 -5.445 1.00 0.00 C ATOM 0 H LEU A 14 -3.752 0.009 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.249 1.528 -7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.676 1.710 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.152 0.845 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.272 3.218 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.884 4.781 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.501 4.042 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.206 3.469 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.007 3.544 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.767 2.178 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.774 1.901 -6.235 1.00 0.00 H new ATOM 231 N GLU A 15 -1.207 -1.436 -6.493 1.00 0.00 N ATOM 232 CA GLU A 15 -0.248 -2.498 -6.757 1.00 0.00 C ATOM 233 C GLU A 15 -0.013 -2.699 -8.253 1.00 0.00 C ATOM 234 O GLU A 15 1.105 -2.961 -8.683 1.00 0.00 O ATOM 235 CB GLU A 15 -0.748 -3.801 -6.138 1.00 0.00 C ATOM 236 CG GLU A 15 0.334 -4.850 -5.988 1.00 0.00 C ATOM 237 CD GLU A 15 -0.176 -6.255 -6.239 1.00 0.00 C ATOM 238 OE1 GLU A 15 -1.369 -6.510 -5.972 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 0.619 -7.101 -6.701 1.00 0.00 O ATOM 0 H GLU A 15 -2.001 -1.726 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 15 0.702 -2.207 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.176 -3.588 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.551 -4.203 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.145 -4.632 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.752 -4.794 -4.983 1.00 0.00 H new ATOM 246 N GLU A 16 -1.082 -2.593 -9.030 1.00 0.00 N ATOM 247 CA GLU A 16 -1.017 -2.777 -10.480 1.00 0.00 C ATOM 248 C GLU A 16 -0.200 -1.681 -11.147 1.00 0.00 C ATOM 249 O GLU A 16 0.451 -1.916 -12.164 1.00 0.00 O ATOM 250 CB GLU A 16 -2.427 -2.820 -11.076 1.00 0.00 C ATOM 251 CG GLU A 16 -3.155 -1.486 -11.036 1.00 0.00 C ATOM 252 CD GLU A 16 -3.434 -0.930 -12.419 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.556 -0.229 -12.966 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -4.530 -1.197 -12.955 1.00 0.00 O ATOM 0 H GLU A 16 -2.015 -2.378 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.519 -3.728 -10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.363 -3.157 -12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.017 -3.561 -10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.097 -1.607 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.558 -0.768 -10.474 1.00 0.00 H new ATOM 261 N LYS A 17 -0.236 -0.485 -10.575 1.00 0.00 N ATOM 262 CA LYS A 17 0.506 0.639 -11.124 1.00 0.00 C ATOM 263 C LYS A 17 2.006 0.439 -10.925 1.00 0.00 C ATOM 264 O LYS A 17 2.817 0.911 -11.721 1.00 0.00 O ATOM 265 CB LYS A 17 0.037 1.961 -10.497 1.00 0.00 C ATOM 266 CG LYS A 17 0.589 2.235 -9.104 1.00 0.00 C ATOM 267 CD LYS A 17 1.302 3.575 -9.042 1.00 0.00 C ATOM 268 CE LYS A 17 2.675 3.506 -9.691 1.00 0.00 C ATOM 269 NZ LYS A 17 2.696 4.172 -11.023 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.770 -0.270 -9.733 1.00 0.00 H new ATOM 0 HA LYS A 17 0.310 0.690 -12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.324 2.781 -11.155 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.052 1.958 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.225 2.221 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.280 1.440 -8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.699 4.333 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.405 3.886 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.409 3.978 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.972 2.463 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.679 4.375 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.264 3.545 -11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.159 5.062 -10.975 1.00 0.00 H new ATOM 283 N VAL A 18 2.367 -0.258 -9.849 1.00 0.00 N ATOM 284 CA VAL A 18 3.774 -0.512 -9.538 1.00 0.00 C ATOM 285 C VAL A 18 4.408 -1.485 -10.531 1.00 0.00 C ATOM 286 O VAL A 18 5.509 -1.246 -11.027 1.00 0.00 O ATOM 287 CB VAL A 18 3.940 -1.073 -8.114 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.411 -1.134 -7.731 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.156 -0.235 -7.115 1.00 0.00 C ATOM 0 H VAL A 18 1.708 -0.656 -9.180 1.00 0.00 H new ATOM 0 HA VAL A 18 4.284 0.449 -9.611 1.00 0.00 H new ATOM 0 HB VAL A 18 3.541 -2.087 -8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.508 -1.533 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.942 -1.781 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.838 -0.132 -7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.285 -0.647 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.522 0.792 -7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.099 -0.249 -7.379 1.00 0.00 H new ATOM 299 N LYS A 19 3.710 -2.577 -10.821 1.00 0.00 N ATOM 300 CA LYS A 19 4.209 -3.579 -11.758 1.00 0.00 C ATOM 301 C LYS A 19 4.263 -3.008 -13.170 1.00 0.00 C ATOM 302 O LYS A 19 5.039 -3.466 -14.009 1.00 0.00 O ATOM 303 CB LYS A 19 3.318 -4.823 -11.731 1.00 0.00 C ATOM 304 CG LYS A 19 1.860 -4.533 -12.051 1.00 0.00 C ATOM 305 CD LYS A 19 1.213 -5.685 -12.805 1.00 0.00 C ATOM 306 CE LYS A 19 0.108 -6.339 -11.989 1.00 0.00 C ATOM 307 NZ LYS A 19 -1.238 -5.831 -12.369 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.797 -2.792 -10.421 1.00 0.00 H new ATOM 0 HA LYS A 19 5.217 -3.861 -11.455 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.701 -5.550 -12.447 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.381 -5.283 -10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.313 -4.350 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.792 -3.623 -12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.803 -5.320 -13.746 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.970 -6.428 -13.054 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.142 -7.419 -12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.280 -6.152 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.864 -5.852 -11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.155 -4.854 -12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.637 -6.431 -13.119 1.00 0.00 H new ATOM 321 N ALA A 20 3.437 -1.998 -13.417 1.00 0.00 N ATOM 322 CA ALA A 20 3.387 -1.347 -14.716 1.00 0.00 C ATOM 323 C ALA A 20 4.500 -0.310 -14.846 1.00 0.00 C ATOM 324 O ALA A 20 4.757 0.208 -15.933 1.00 0.00 O ATOM 325 CB ALA A 20 2.023 -0.702 -14.917 1.00 0.00 C ATOM 0 H ALA A 20 2.790 -1.612 -12.729 1.00 0.00 H new ATOM 0 HA ALA A 20 3.539 -2.098 -15.491 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.991 -0.215 -15.892 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.248 -1.467 -14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.852 0.039 -14.136 1.00 0.00 H new ATOM 331 N LEU A 21 5.158 -0.014 -13.725 1.00 0.00 N ATOM 332 CA LEU A 21 6.243 0.956 -13.704 1.00 0.00 C ATOM 333 C LEU A 21 7.468 0.414 -14.434 1.00 0.00 C ATOM 334 O LEU A 21 8.213 1.166 -15.063 1.00 0.00 O ATOM 335 CB LEU A 21 6.607 1.299 -12.255 1.00 0.00 C ATOM 336 CG LEU A 21 6.860 2.781 -11.970 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.594 2.950 -10.648 1.00 0.00 C ATOM 338 CD2 LEU A 21 7.649 3.426 -13.103 1.00 0.00 C ATOM 0 H LEU A 21 4.955 -0.436 -12.819 1.00 0.00 H new ATOM 0 HA LEU A 21 5.909 1.859 -14.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.802 0.955 -11.606 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.500 0.737 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 21 5.895 3.283 -11.900 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.766 4.010 -10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.992 2.532 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.551 2.430 -10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.816 4.479 -12.877 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.609 2.921 -13.211 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.087 3.339 -14.033 1.00 0.00 H new ATOM 350 N GLY A 22 7.670 -0.898 -14.349 1.00 0.00 N ATOM 351 CA GLY A 22 8.804 -1.520 -15.007 1.00 0.00 C ATOM 352 C GLY A 22 9.231 -2.811 -14.334 1.00 0.00 C ATOM 353 O GLY A 22 8.950 -3.901 -14.831 1.00 0.00 O ATOM 0 H GLY A 22 7.068 -1.541 -13.836 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.549 -1.723 -16.047 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.642 -0.823 -15.014 1.00 0.00 H new ATOM 357 N GLY A 23 9.916 -2.685 -13.202 1.00 0.00 N ATOM 358 CA GLY A 23 10.375 -3.857 -12.478 1.00 0.00 C ATOM 359 C GLY A 23 11.736 -4.331 -12.949 1.00 0.00 C ATOM 360 O GLY A 23 11.833 -5.236 -13.776 1.00 0.00 O ATOM 0 H GLY A 23 10.162 -1.793 -12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.421 -3.628 -11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.651 -4.662 -12.599 1.00 0.00 H new ATOM 364 N GLY A 24 12.790 -3.717 -12.420 1.00 0.00 N ATOM 365 CA GLY A 24 14.136 -4.097 -12.807 1.00 0.00 C ATOM 366 C GLY A 24 15.186 -3.635 -11.815 1.00 0.00 C ATOM 367 O GLY A 24 16.342 -3.423 -12.180 1.00 0.00 O ATOM 0 H GLY A 24 12.736 -2.965 -11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.188 -5.181 -12.906 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.359 -3.677 -13.788 1.00 0.00 H new ATOM 371 N GLY A 25 14.786 -3.479 -10.555 1.00 0.00 N ATOM 372 CA GLY A 25 15.720 -3.043 -9.534 1.00 0.00 C ATOM 373 C GLY A 25 15.087 -2.120 -8.510 1.00 0.00 C ATOM 374 O GLY A 25 15.017 -2.452 -7.329 1.00 0.00 O ATOM 0 H GLY A 25 13.835 -3.646 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.128 -3.916 -9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.557 -2.531 -10.009 1.00 0.00 H new ATOM 378 N ARG A 26 14.632 -0.958 -8.963 1.00 0.00 N ATOM 379 CA ARG A 26 14.009 0.019 -8.076 1.00 0.00 C ATOM 380 C ARG A 26 12.523 -0.279 -7.888 1.00 0.00 C ATOM 381 O ARG A 26 12.014 -0.261 -6.769 1.00 0.00 O ATOM 382 CB ARG A 26 14.193 1.434 -8.639 1.00 0.00 C ATOM 383 CG ARG A 26 13.275 2.475 -8.012 1.00 0.00 C ATOM 384 CD ARG A 26 13.517 3.856 -8.597 1.00 0.00 C ATOM 385 NE ARG A 26 14.628 4.539 -7.940 1.00 0.00 N ATOM 386 CZ ARG A 26 14.532 5.146 -6.760 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.377 5.163 -6.106 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 15.594 5.740 -6.232 1.00 0.00 N ATOM 0 H ARG A 26 14.682 -0.668 -9.940 1.00 0.00 H new ATOM 0 HA ARG A 26 14.496 -0.047 -7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.228 1.741 -8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.018 1.411 -9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.236 2.188 -8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.436 2.502 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.725 3.767 -9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.612 4.456 -8.498 1.00 0.00 H new ATOM 0 HE ARG A 26 15.531 4.551 -8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.557 4.709 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.310 5.630 -5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.484 5.731 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.521 6.206 -5.327 1.00 0.00 H new ATOM 402 N ILE A 27 11.835 -0.531 -8.993 1.00 0.00 N ATOM 403 CA ILE A 27 10.405 -0.812 -8.967 1.00 0.00 C ATOM 404 C ILE A 27 10.085 -2.138 -8.277 1.00 0.00 C ATOM 405 O ILE A 27 9.053 -2.267 -7.627 1.00 0.00 O ATOM 406 CB ILE A 27 9.821 -0.839 -10.391 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.261 0.405 -11.169 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.303 -0.932 -10.341 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.431 0.158 -12.096 1.00 0.00 C ATOM 0 H ILE A 27 12.247 -0.547 -9.926 1.00 0.00 H new ATOM 0 HA ILE A 27 9.948 -0.005 -8.394 1.00 0.00 H new ATOM 0 HB ILE A 27 10.201 -1.721 -10.907 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.418 0.775 -11.752 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.528 1.190 -10.462 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.906 -0.950 -11.356 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.011 -1.844 -9.821 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.903 -0.068 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.687 1.083 -12.613 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.289 -0.183 -11.516 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.161 -0.604 -12.827 1.00 0.00 H new ATOM 421 N GLU A 28 10.960 -3.124 -8.438 1.00 0.00 N ATOM 422 CA GLU A 28 10.747 -4.443 -7.841 1.00 0.00 C ATOM 423 C GLU A 28 10.650 -4.374 -6.316 1.00 0.00 C ATOM 424 O GLU A 28 9.760 -4.971 -5.715 1.00 0.00 O ATOM 425 CB GLU A 28 11.876 -5.393 -8.244 1.00 0.00 C ATOM 426 CG GLU A 28 11.686 -6.017 -9.617 1.00 0.00 C ATOM 427 CD GLU A 28 10.399 -6.812 -9.724 1.00 0.00 C ATOM 428 OE1 GLU A 28 9.851 -7.198 -8.670 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 9.941 -7.051 -10.861 1.00 0.00 O ATOM 0 H GLU A 28 11.823 -3.038 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 28 9.796 -4.820 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.820 -4.849 -8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.954 -6.187 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.687 -5.231 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.531 -6.670 -9.835 1.00 0.00 H new ATOM 436 N GLU A 29 11.580 -3.657 -5.699 1.00 0.00 N ATOM 437 CA GLU A 29 11.617 -3.519 -4.242 1.00 0.00 C ATOM 438 C GLU A 29 10.416 -2.739 -3.708 1.00 0.00 C ATOM 439 O GLU A 29 9.896 -3.039 -2.634 1.00 0.00 O ATOM 440 CB GLU A 29 12.910 -2.827 -3.809 1.00 0.00 C ATOM 441 CG GLU A 29 14.153 -3.408 -4.459 1.00 0.00 C ATOM 442 CD GLU A 29 15.433 -2.801 -3.917 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.623 -1.577 -4.077 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 16.244 -3.550 -3.334 1.00 0.00 O ATOM 0 H GLU A 29 12.325 -3.158 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 29 11.577 -4.524 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.844 -1.766 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.007 -2.901 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.171 -4.486 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.105 -3.245 -5.536 1.00 0.00 H new ATOM 451 N LEU A 30 10.010 -1.715 -4.445 1.00 0.00 N ATOM 452 CA LEU A 30 8.906 -0.855 -4.039 1.00 0.00 C ATOM 453 C LEU A 30 7.610 -1.637 -3.809 1.00 0.00 C ATOM 454 O LEU A 30 6.927 -1.428 -2.806 1.00 0.00 O ATOM 455 CB LEU A 30 8.687 0.211 -5.111 1.00 0.00 C ATOM 456 CG LEU A 30 8.447 1.625 -4.589 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.755 2.250 -4.129 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.795 2.479 -5.665 1.00 0.00 C ATOM 0 H LEU A 30 10.433 -1.457 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 30 9.172 -0.393 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.558 0.227 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.833 -0.082 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 30 7.773 1.572 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.567 3.258 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.186 1.646 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.451 2.295 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.629 3.485 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.448 2.527 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.840 2.038 -5.951 1.00 0.00 H new ATOM 470 N LYS A 31 7.269 -2.527 -4.732 1.00 0.00 N ATOM 471 CA LYS A 31 6.045 -3.320 -4.604 1.00 0.00 C ATOM 472 C LYS A 31 6.126 -4.274 -3.420 1.00 0.00 C ATOM 473 O LYS A 31 5.118 -4.545 -2.771 1.00 0.00 O ATOM 474 CB LYS A 31 5.714 -4.094 -5.887 1.00 0.00 C ATOM 475 CG LYS A 31 6.887 -4.296 -6.832 1.00 0.00 C ATOM 476 CD LYS A 31 6.540 -5.264 -7.952 1.00 0.00 C ATOM 477 CE LYS A 31 6.693 -6.709 -7.505 1.00 0.00 C ATOM 478 NZ LYS A 31 7.128 -7.592 -8.621 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.815 -2.720 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 31 5.235 -2.612 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.315 -5.070 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.924 -3.565 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.182 -3.337 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.744 -4.675 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.515 -5.090 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.186 -5.077 -8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.420 -6.763 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.744 -7.068 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.753 -8.550 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.769 -7.216 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.167 -7.628 -8.651 1.00 0.00 H new ATOM 492 N LYS A 32 7.320 -4.790 -3.142 1.00 0.00 N ATOM 493 CA LYS A 32 7.501 -5.720 -2.031 1.00 0.00 C ATOM 494 C LYS A 32 7.018 -5.089 -0.731 1.00 0.00 C ATOM 495 O LYS A 32 6.383 -5.748 0.092 1.00 0.00 O ATOM 496 CB LYS A 32 8.972 -6.120 -1.895 1.00 0.00 C ATOM 497 CG LYS A 32 9.609 -6.562 -3.201 1.00 0.00 C ATOM 498 CD LYS A 32 10.719 -7.573 -2.965 1.00 0.00 C ATOM 499 CE LYS A 32 10.868 -8.524 -4.142 1.00 0.00 C ATOM 500 NZ LYS A 32 11.779 -9.659 -3.828 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.170 -4.582 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 32 6.912 -6.614 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.533 -5.276 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.053 -6.929 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.849 -6.999 -3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.011 -5.694 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.660 -7.049 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.507 -8.143 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.888 -8.912 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.252 -7.978 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.853 -10.284 -4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.721 -9.291 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.400 -10.196 -3.022 1.00 0.00 H new ATOM 514 N LYS A 33 7.304 -3.803 -0.564 1.00 0.00 N ATOM 515 CA LYS A 33 6.877 -3.079 0.624 1.00 0.00 C ATOM 516 C LYS A 33 5.355 -3.043 0.694 1.00 0.00 C ATOM 517 O LYS A 33 4.767 -3.114 1.772 1.00 0.00 O ATOM 518 CB LYS A 33 7.436 -1.655 0.611 1.00 0.00 C ATOM 519 CG LYS A 33 7.311 -0.939 1.947 1.00 0.00 C ATOM 520 CD LYS A 33 8.435 0.063 2.149 1.00 0.00 C ATOM 521 CE LYS A 33 9.651 -0.587 2.790 1.00 0.00 C ATOM 522 NZ LYS A 33 10.575 0.421 3.378 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.829 -3.243 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 33 7.261 -3.595 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.487 -1.689 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.915 -1.076 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.351 -0.425 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.324 -1.670 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.716 0.495 1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.085 0.882 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.325 -1.278 3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.184 -1.176 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.391 -0.063 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.906 1.065 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.075 0.966 4.109 1.00 0.00 H new ATOM 536 N TYR A 34 4.725 -2.936 -0.474 1.00 0.00 N ATOM 537 CA TYR A 34 3.271 -2.896 -0.564 1.00 0.00 C ATOM 538 C TYR A 34 2.649 -4.139 0.068 1.00 0.00 C ATOM 539 O TYR A 34 1.605 -4.059 0.711 1.00 0.00 O ATOM 540 CB TYR A 34 2.826 -2.760 -2.024 1.00 0.00 C ATOM 541 CG TYR A 34 1.987 -1.532 -2.283 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.618 -1.542 -2.052 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.566 -0.364 -2.758 1.00 0.00 C ATOM 544 CE1 TYR A 34 -0.149 -0.418 -2.285 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.805 0.763 -2.993 1.00 0.00 C ATOM 546 CZ TYR A 34 0.448 0.732 -2.754 1.00 0.00 C ATOM 547 OH TYR A 34 -0.312 1.856 -2.981 1.00 0.00 O ATOM 0 H TYR A 34 5.203 -2.875 -1.373 1.00 0.00 H new ATOM 0 HA TYR A 34 2.923 -2.023 -0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.708 -2.730 -2.664 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.257 -3.646 -2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.147 -2.442 -1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.629 -0.336 -2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.213 -0.440 -2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.271 1.665 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.260 1.639 -2.864 1.00 0.00 H new ATOM 557 N GLU A 35 3.296 -5.288 -0.115 1.00 0.00 N ATOM 558 CA GLU A 35 2.798 -6.540 0.449 1.00 0.00 C ATOM 559 C GLU A 35 2.595 -6.402 1.955 1.00 0.00 C ATOM 560 O GLU A 35 1.599 -6.868 2.506 1.00 0.00 O ATOM 561 CB GLU A 35 3.774 -7.682 0.154 1.00 0.00 C ATOM 562 CG GLU A 35 3.779 -8.116 -1.302 1.00 0.00 C ATOM 563 CD GLU A 35 3.580 -9.610 -1.467 1.00 0.00 C ATOM 564 OE1 GLU A 35 4.326 -10.382 -0.829 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 2.680 -10.009 -2.236 1.00 0.00 O ATOM 0 H GLU A 35 4.162 -5.378 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 35 1.838 -6.769 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.780 -7.371 0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.519 -8.538 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.991 -7.587 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.725 -7.827 -1.760 1.00 0.00 H new ATOM 572 N GLU A 36 3.545 -5.741 2.607 1.00 0.00 N ATOM 573 CA GLU A 36 3.480 -5.516 4.044 1.00 0.00 C ATOM 574 C GLU A 36 2.250 -4.688 4.397 1.00 0.00 C ATOM 575 O GLU A 36 1.613 -4.908 5.426 1.00 0.00 O ATOM 576 CB GLU A 36 4.746 -4.806 4.528 1.00 0.00 C ATOM 577 CG GLU A 36 4.931 -4.856 6.035 1.00 0.00 C ATOM 578 CD GLU A 36 6.012 -5.831 6.458 1.00 0.00 C ATOM 579 OE1 GLU A 36 7.193 -5.430 6.490 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 5.676 -6.997 6.757 1.00 0.00 O ATOM 0 H GLU A 36 4.374 -5.350 2.159 1.00 0.00 H new ATOM 0 HA GLU A 36 3.406 -6.483 4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.613 -5.260 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.714 -3.764 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.182 -3.860 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.988 -5.139 6.504 1.00 0.00 H new ATOM 587 N LEU A 37 1.932 -3.729 3.534 1.00 0.00 N ATOM 588 CA LEU A 37 0.786 -2.851 3.741 1.00 0.00 C ATOM 589 C LEU A 37 -0.510 -3.654 3.849 1.00 0.00 C ATOM 590 O LEU A 37 -1.411 -3.296 4.608 1.00 0.00 O ATOM 591 CB LEU A 37 0.687 -1.851 2.584 1.00 0.00 C ATOM 592 CG LEU A 37 1.178 -0.436 2.895 1.00 0.00 C ATOM 593 CD1 LEU A 37 1.479 0.314 1.609 1.00 0.00 C ATOM 594 CD2 LEU A 37 0.146 0.313 3.724 1.00 0.00 C ATOM 0 H LEU A 37 2.456 -3.539 2.679 1.00 0.00 H new ATOM 0 HA LEU A 37 0.930 -2.313 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.259 -2.239 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.353 -1.794 2.264 1.00 0.00 H new ATOM 0 HG LEU A 37 2.098 -0.506 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.827 1.319 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.252 -0.215 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.574 0.377 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.510 1.318 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.790 0.376 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.023 -0.218 4.661 1.00 0.00 H new ATOM 606 N LYS A 38 -0.596 -4.740 3.088 1.00 0.00 N ATOM 607 CA LYS A 38 -1.780 -5.593 3.100 1.00 0.00 C ATOM 608 C LYS A 38 -1.960 -6.263 4.460 1.00 0.00 C ATOM 609 O LYS A 38 -3.077 -6.394 4.955 1.00 0.00 O ATOM 610 CB LYS A 38 -1.675 -6.660 2.008 1.00 0.00 C ATOM 611 CG LYS A 38 -1.899 -6.119 0.606 1.00 0.00 C ATOM 612 CD LYS A 38 -2.499 -7.174 -0.309 1.00 0.00 C ATOM 613 CE LYS A 38 -1.590 -8.386 -0.433 1.00 0.00 C ATOM 614 NZ LYS A 38 -2.262 -9.516 -1.132 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.141 -5.051 2.454 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.649 -4.964 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.689 -7.122 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.405 -7.445 2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.562 -5.255 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.951 -5.774 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.469 -7.484 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.672 -6.745 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.687 -8.108 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.277 -8.708 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.741 -10.397 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.236 -9.611 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.279 -9.330 -2.155 1.00 0.00 H new ATOM 628 N LYS A 39 -0.848 -6.691 5.048 1.00 0.00 N ATOM 629 CA LYS A 39 -0.859 -7.359 6.345 1.00 0.00 C ATOM 630 C LYS A 39 -1.435 -6.464 7.440 1.00 0.00 C ATOM 631 O LYS A 39 -2.124 -6.940 8.334 1.00 0.00 O ATOM 632 CB LYS A 39 0.558 -7.797 6.725 1.00 0.00 C ATOM 633 CG LYS A 39 0.860 -9.245 6.378 1.00 0.00 C ATOM 634 CD LYS A 39 1.951 -9.817 7.271 1.00 0.00 C ATOM 635 CE LYS A 39 2.035 -11.330 7.149 1.00 0.00 C ATOM 636 NZ LYS A 39 2.494 -11.756 5.798 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.082 -6.586 4.642 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.502 -8.235 6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.277 -7.153 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.699 -7.652 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.046 -9.842 6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.169 -9.313 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.911 -9.376 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.754 -9.545 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.720 -11.717 7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.057 -11.765 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.537 -12.794 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.827 -11.409 5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.439 -11.363 5.612 1.00 0.00 H new ATOM 650 N LYS A 40 -1.130 -5.171 7.373 1.00 0.00 N ATOM 651 CA LYS A 40 -1.605 -4.214 8.373 1.00 0.00 C ATOM 652 C LYS A 40 -3.131 -4.121 8.382 1.00 0.00 C ATOM 653 O LYS A 40 -3.744 -3.916 9.429 1.00 0.00 O ATOM 654 CB LYS A 40 -1.000 -2.834 8.107 1.00 0.00 C ATOM 655 CG LYS A 40 -0.526 -2.127 9.366 1.00 0.00 C ATOM 656 CD LYS A 40 0.686 -1.249 9.091 1.00 0.00 C ATOM 657 CE LYS A 40 1.960 -1.868 9.644 1.00 0.00 C ATOM 658 NZ LYS A 40 2.635 -2.739 8.642 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.556 -4.760 6.637 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.285 -4.569 9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.159 -2.941 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.742 -2.211 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.335 -1.517 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.276 -2.866 10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.791 -1.098 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.534 -0.267 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.642 -1.077 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.723 -2.453 10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.499 -3.142 9.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.994 -3.509 8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.884 -2.176 7.804 1.00 0.00 H new ATOM 672 N ILE A 41 -3.732 -4.269 7.209 1.00 0.00 N ATOM 673 CA ILE A 41 -5.184 -4.201 7.071 1.00 0.00 C ATOM 674 C ILE A 41 -5.842 -5.431 7.684 1.00 0.00 C ATOM 675 O ILE A 41 -6.935 -5.358 8.248 1.00 0.00 O ATOM 676 CB ILE A 41 -5.595 -4.093 5.589 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.843 -2.945 4.913 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.099 -3.894 5.460 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.864 -3.015 3.402 1.00 0.00 C ATOM 0 H ILE A 41 -3.235 -4.438 6.334 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.521 -3.309 7.599 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.331 -5.025 5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.280 -1.998 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.808 -2.949 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.367 -3.820 4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.618 -4.741 5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.390 -2.978 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.312 -2.170 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.400 -3.945 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.895 -2.980 3.050 1.00 0.00 H new ATOM 691 N GLU A 42 -5.159 -6.559 7.560 1.00 0.00 N ATOM 692 CA GLU A 42 -5.640 -7.827 8.082 1.00 0.00 C ATOM 693 C GLU A 42 -5.711 -7.816 9.608 1.00 0.00 C ATOM 694 O GLU A 42 -6.570 -8.466 10.203 1.00 0.00 O ATOM 695 CB GLU A 42 -4.724 -8.958 7.606 1.00 0.00 C ATOM 696 CG GLU A 42 -5.322 -9.793 6.486 1.00 0.00 C ATOM 697 CD GLU A 42 -4.658 -11.150 6.351 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.288 -11.736 7.391 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -4.508 -11.628 5.207 1.00 0.00 O ATOM 0 H GLU A 42 -4.254 -6.620 7.093 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.650 -7.989 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.780 -8.532 7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.494 -9.608 8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.388 -9.931 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.228 -9.252 5.545 1.00 0.00 H new ATOM 706 N GLU A 43 -4.786 -7.095 10.235 1.00 0.00 N ATOM 707 CA GLU A 43 -4.728 -7.027 11.693 1.00 0.00 C ATOM 708 C GLU A 43 -5.794 -6.098 12.269 1.00 0.00 C ATOM 709 O GLU A 43 -6.305 -6.336 13.364 1.00 0.00 O ATOM 710 CB GLU A 43 -3.339 -6.573 12.149 1.00 0.00 C ATOM 711 CG GLU A 43 -2.992 -5.147 11.753 1.00 0.00 C ATOM 712 CD GLU A 43 -2.187 -4.427 12.817 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.585 -5.111 13.671 1.00 0.00 O ATOM 714 OE2 GLU A 43 -2.159 -3.178 12.797 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.067 -6.550 9.758 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.926 -8.030 12.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.277 -6.663 13.233 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.592 -7.247 11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.427 -5.160 10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.911 -4.593 11.561 1.00 0.00 H new ATOM 721 N LEU A 44 -6.122 -5.037 11.543 1.00 0.00 N ATOM 722 CA LEU A 44 -7.121 -4.081 12.010 1.00 0.00 C ATOM 723 C LEU A 44 -8.535 -4.552 11.678 1.00 0.00 C ATOM 724 O LEU A 44 -8.763 -5.195 10.653 1.00 0.00 O ATOM 725 CB LEU A 44 -6.866 -2.698 11.404 1.00 0.00 C ATOM 726 CG LEU A 44 -7.324 -2.518 9.955 1.00 0.00 C ATOM 727 CD1 LEU A 44 -8.720 -1.917 9.908 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.341 -1.643 9.193 1.00 0.00 C ATOM 0 H LEU A 44 -5.715 -4.816 10.634 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.034 -4.011 13.094 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.368 -1.952 12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.798 -2.489 11.457 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.356 -3.498 9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.029 -1.796 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.418 -2.579 10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.714 -0.945 10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.681 -1.525 8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.279 -0.665 9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.357 -2.112 9.198 1.00 0.00 H new ATOM 740 N GLY A 45 -9.479 -4.225 12.555 1.00 0.00 N ATOM 741 CA GLY A 45 -10.859 -4.618 12.340 1.00 0.00 C ATOM 742 C GLY A 45 -11.832 -3.487 12.607 1.00 0.00 C ATOM 743 O GLY A 45 -12.770 -3.271 11.839 1.00 0.00 O ATOM 0 H GLY A 45 -9.313 -3.695 13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.980 -4.962 11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.099 -5.460 12.989 1.00 0.00 H new ATOM 747 N GLY A 46 -11.608 -2.761 13.699 1.00 0.00 N ATOM 748 CA GLY A 46 -12.479 -1.654 14.048 1.00 0.00 C ATOM 749 C GLY A 46 -12.400 -0.514 13.051 1.00 0.00 C ATOM 750 O GLY A 46 -12.159 -0.734 11.864 1.00 0.00 O ATOM 0 H GLY A 46 -10.838 -2.920 14.348 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.508 -2.010 14.107 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.213 -1.285 15.038 1.00 0.00 H new ATOM 754 N GLY A 47 -12.606 0.708 13.533 1.00 0.00 N ATOM 755 CA GLY A 47 -12.553 1.868 12.663 1.00 0.00 C ATOM 756 C GLY A 47 -11.623 2.948 13.182 1.00 0.00 C ATOM 757 O GLY A 47 -11.768 4.119 12.835 1.00 0.00 O ATOM 0 H GLY A 47 -12.809 0.915 14.511 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.225 1.558 11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.556 2.280 12.553 1.00 0.00 H new ATOM 761 N GLY A 48 -10.664 2.552 14.014 1.00 0.00 N ATOM 762 CA GLY A 48 -9.720 3.506 14.566 1.00 0.00 C ATOM 763 C GLY A 48 -8.317 3.304 14.029 1.00 0.00 C ATOM 764 O GLY A 48 -7.521 4.244 13.978 1.00 0.00 O ATOM 0 H GLY A 48 -10.524 1.588 14.315 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.053 4.518 14.335 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.708 3.414 15.652 1.00 0.00 H new ATOM 768 N GLU A 49 -8.013 2.074 13.628 1.00 0.00 N ATOM 769 CA GLU A 49 -6.698 1.744 13.091 1.00 0.00 C ATOM 770 C GLU A 49 -6.707 1.779 11.564 1.00 0.00 C ATOM 771 O GLU A 49 -5.672 1.980 10.931 1.00 0.00 O ATOM 772 CB GLU A 49 -6.263 0.362 13.582 1.00 0.00 C ATOM 773 CG GLU A 49 -4.919 -0.087 13.032 1.00 0.00 C ATOM 774 CD GLU A 49 -3.858 -0.208 14.110 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.948 -1.146 14.928 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.937 0.636 14.134 1.00 0.00 O ATOM 0 H GLU A 49 -8.661 1.287 13.665 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.987 2.490 13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.215 0.372 14.671 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.022 -0.369 13.303 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.038 -1.050 12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.584 0.623 12.276 1.00 0.00 H new ATOM 783 N VAL A 50 -7.885 1.578 10.979 1.00 0.00 N ATOM 784 CA VAL A 50 -8.031 1.581 9.527 1.00 0.00 C ATOM 785 C VAL A 50 -7.470 2.862 8.915 1.00 0.00 C ATOM 786 O VAL A 50 -6.966 2.854 7.792 1.00 0.00 O ATOM 787 CB VAL A 50 -9.510 1.425 9.115 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.344 2.585 9.636 1.00 0.00 C ATOM 789 CG2 VAL A 50 -9.638 1.300 7.605 1.00 0.00 C ATOM 0 H VAL A 50 -8.752 1.411 11.489 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.464 0.730 9.149 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.892 0.508 9.565 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.382 2.452 9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.285 2.616 10.724 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.963 3.520 9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.689 1.191 7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.233 2.194 7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.084 0.425 7.264 1.00 0.00 H new ATOM 799 N LYS A 51 -7.562 3.958 9.659 1.00 0.00 N ATOM 800 CA LYS A 51 -7.064 5.248 9.191 1.00 0.00 C ATOM 801 C LYS A 51 -5.538 5.258 9.119 1.00 0.00 C ATOM 802 O LYS A 51 -4.952 5.910 8.256 1.00 0.00 O ATOM 803 CB LYS A 51 -7.550 6.367 10.114 1.00 0.00 C ATOM 804 CG LYS A 51 -9.000 6.761 9.882 1.00 0.00 C ATOM 805 CD LYS A 51 -9.918 5.548 9.889 1.00 0.00 C ATOM 806 CE LYS A 51 -11.374 5.952 9.721 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.898 6.653 10.927 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.977 3.980 10.590 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.453 5.415 8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.430 6.050 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.917 7.243 9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.316 7.461 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.088 7.279 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.632 4.869 9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.796 5.003 10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.473 6.602 8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.977 5.065 9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.918 6.821 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.735 6.065 11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.407 7.563 11.040 1.00 0.00 H new ATOM 821 N LYS A 52 -4.902 4.538 10.038 1.00 0.00 N ATOM 822 CA LYS A 52 -3.445 4.470 10.088 1.00 0.00 C ATOM 823 C LYS A 52 -2.877 3.742 8.872 1.00 0.00 C ATOM 824 O LYS A 52 -1.795 4.075 8.390 1.00 0.00 O ATOM 825 CB LYS A 52 -2.996 3.769 11.373 1.00 0.00 C ATOM 826 CG LYS A 52 -2.104 4.628 12.254 1.00 0.00 C ATOM 827 CD LYS A 52 -1.010 3.803 12.911 1.00 0.00 C ATOM 828 CE LYS A 52 0.032 4.689 13.576 1.00 0.00 C ATOM 829 NZ LYS A 52 1.110 3.890 14.223 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.373 3.992 10.759 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.062 5.491 10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.877 3.472 11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.463 2.855 11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.654 5.420 11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.707 5.112 13.022 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.451 3.138 13.653 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.529 3.172 12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.470 5.355 12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.451 5.319 14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.800 4.531 14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.696 3.273 14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.588 3.307 13.506 1.00 0.00 H new ATOM 843 N VAL A 53 -3.608 2.747 8.385 1.00 0.00 N ATOM 844 CA VAL A 53 -3.174 1.969 7.230 1.00 0.00 C ATOM 845 C VAL A 53 -3.256 2.784 5.944 1.00 0.00 C ATOM 846 O VAL A 53 -2.391 2.674 5.082 1.00 0.00 O ATOM 847 CB VAL A 53 -4.011 0.683 7.074 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.598 -0.088 5.826 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.876 -0.187 8.313 1.00 0.00 C ATOM 0 H VAL A 53 -4.506 2.459 8.773 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.134 1.697 7.408 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.057 0.966 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.203 -0.990 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.749 0.537 4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.546 -0.362 5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.472 -1.091 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.830 -0.458 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.229 0.364 9.185 1.00 0.00 H new ATOM 859 N GLU A 54 -4.302 3.594 5.816 1.00 0.00 N ATOM 860 CA GLU A 54 -4.487 4.419 4.625 1.00 0.00 C ATOM 861 C GLU A 54 -3.300 5.357 4.420 1.00 0.00 C ATOM 862 O GLU A 54 -2.879 5.604 3.291 1.00 0.00 O ATOM 863 CB GLU A 54 -5.780 5.229 4.738 1.00 0.00 C ATOM 864 CG GLU A 54 -7.036 4.404 4.518 1.00 0.00 C ATOM 865 CD GLU A 54 -8.281 5.260 4.394 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.170 6.405 3.906 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.369 4.786 4.785 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.033 3.697 6.520 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.554 3.757 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.826 5.689 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.756 6.040 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.920 3.805 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.159 3.708 5.348 1.00 0.00 H new ATOM 874 N GLU A 55 -2.769 5.875 5.520 1.00 0.00 N ATOM 875 CA GLU A 55 -1.629 6.785 5.472 1.00 0.00 C ATOM 876 C GLU A 55 -0.358 6.051 5.055 1.00 0.00 C ATOM 877 O GLU A 55 0.492 6.601 4.355 1.00 0.00 O ATOM 878 CB GLU A 55 -1.423 7.450 6.835 1.00 0.00 C ATOM 879 CG GLU A 55 -2.657 8.170 7.354 1.00 0.00 C ATOM 880 CD GLU A 55 -2.920 9.473 6.626 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.965 10.034 6.048 1.00 0.00 O ATOM 882 OE2 GLU A 55 -4.081 9.933 6.633 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.111 5.680 6.461 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.842 7.552 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.124 6.691 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.601 8.162 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.524 7.518 7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.535 8.371 8.418 1.00 0.00 H new ATOM 889 N GLU A 56 -0.231 4.810 5.510 1.00 0.00 N ATOM 890 CA GLU A 56 0.939 3.990 5.216 1.00 0.00 C ATOM 891 C GLU A 56 1.140 3.803 3.712 1.00 0.00 C ATOM 892 O GLU A 56 2.267 3.851 3.219 1.00 0.00 O ATOM 893 CB GLU A 56 0.790 2.624 5.890 1.00 0.00 C ATOM 894 CG GLU A 56 1.368 2.572 7.294 1.00 0.00 C ATOM 895 CD GLU A 56 2.783 2.031 7.321 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.004 0.918 6.797 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.672 2.719 7.866 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.931 4.346 6.089 1.00 0.00 H new ATOM 0 HA GLU A 56 1.816 4.507 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.267 2.362 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.281 1.870 5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.357 3.573 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.732 1.948 7.922 1.00 0.00 H new ATOM 904 N VAL A 57 0.048 3.589 2.987 1.00 0.00 N ATOM 905 CA VAL A 57 0.119 3.394 1.544 1.00 0.00 C ATOM 906 C VAL A 57 0.441 4.701 0.824 1.00 0.00 C ATOM 907 O VAL A 57 1.146 4.703 -0.181 1.00 0.00 O ATOM 908 CB VAL A 57 -1.186 2.787 0.980 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.252 3.854 0.765 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.904 2.036 -0.315 1.00 0.00 C ATOM 0 H VAL A 57 -0.895 3.546 3.374 1.00 0.00 H new ATOM 0 HA VAL A 57 0.928 2.686 1.362 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.573 2.082 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.155 3.391 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.480 4.338 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.885 4.598 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.832 1.614 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.485 2.723 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.193 1.233 -0.122 1.00 0.00 H new ATOM 920 N LYS A 58 -0.081 5.808 1.344 1.00 0.00 N ATOM 921 CA LYS A 58 0.150 7.121 0.748 1.00 0.00 C ATOM 922 C LYS A 58 1.645 7.401 0.605 1.00 0.00 C ATOM 923 O LYS A 58 2.076 8.059 -0.339 1.00 0.00 O ATOM 924 CB LYS A 58 -0.505 8.212 1.598 1.00 0.00 C ATOM 925 CG LYS A 58 -1.893 8.604 1.119 1.00 0.00 C ATOM 926 CD LYS A 58 -1.830 9.441 -0.147 1.00 0.00 C ATOM 927 CE LYS A 58 -3.147 9.409 -0.905 1.00 0.00 C ATOM 928 NZ LYS A 58 -3.483 10.736 -1.490 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.668 5.822 2.178 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.298 7.124 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.570 7.867 2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.134 9.095 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.482 7.706 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.404 9.164 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.582 10.471 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.031 9.071 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.090 8.666 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.946 9.096 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.388 10.672 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.562 11.441 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.734 11.024 -2.151 1.00 0.00 H new ATOM 942 N LYS A 59 2.428 6.898 1.550 1.00 0.00 N ATOM 943 CA LYS A 59 3.876 7.088 1.527 1.00 0.00 C ATOM 944 C LYS A 59 4.511 6.320 0.370 1.00 0.00 C ATOM 945 O LYS A 59 5.461 6.786 -0.258 1.00 0.00 O ATOM 946 CB LYS A 59 4.506 6.627 2.846 1.00 0.00 C ATOM 947 CG LYS A 59 3.647 6.887 4.073 1.00 0.00 C ATOM 948 CD LYS A 59 4.308 6.350 5.330 1.00 0.00 C ATOM 949 CE LYS A 59 4.400 4.831 5.309 1.00 0.00 C ATOM 950 NZ LYS A 59 5.786 4.355 5.573 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.087 6.355 2.343 1.00 0.00 H new ATOM 0 HA LYS A 59 4.064 8.153 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.714 5.559 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.464 7.131 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.474 7.958 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.672 6.418 3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.307 6.774 5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.741 6.669 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.725 4.416 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.067 4.461 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.806 3.315 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.426 4.730 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.095 4.687 6.509 1.00 0.00 H new ATOM 964 N LEU A 60 3.987 5.126 0.119 1.00 0.00 N ATOM 965 CA LEU A 60 4.498 4.252 -0.936 1.00 0.00 C ATOM 966 C LEU A 60 4.437 4.906 -2.317 1.00 0.00 C ATOM 967 O LEU A 60 5.398 4.836 -3.084 1.00 0.00 O ATOM 968 CB LEU A 60 3.699 2.947 -0.943 1.00 0.00 C ATOM 969 CG LEU A 60 4.518 1.674 -1.159 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.090 1.638 -2.567 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.629 1.571 -0.127 1.00 0.00 C ATOM 0 H LEU A 60 3.200 4.736 0.637 1.00 0.00 H new ATOM 0 HA LEU A 60 5.548 4.053 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.169 2.861 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.943 3.009 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 60 3.857 0.816 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.669 0.725 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.276 1.661 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.736 2.503 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.200 0.659 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.289 2.434 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.196 1.546 0.873 1.00 0.00 H new ATOM 983 N GLU A 61 3.310 5.534 -2.635 1.00 0.00 N ATOM 984 CA GLU A 61 3.141 6.187 -3.929 1.00 0.00 C ATOM 985 C GLU A 61 4.032 7.420 -4.043 1.00 0.00 C ATOM 986 O GLU A 61 4.520 7.745 -5.123 1.00 0.00 O ATOM 987 CB GLU A 61 1.677 6.569 -4.163 1.00 0.00 C ATOM 988 CG GLU A 61 1.054 7.353 -3.020 1.00 0.00 C ATOM 989 CD GLU A 61 1.013 8.843 -3.289 1.00 0.00 C ATOM 990 OE1 GLU A 61 2.072 9.496 -3.185 1.00 0.00 O ATOM 991 OE2 GLU A 61 -0.079 9.359 -3.606 1.00 0.00 O1- ATOM 0 H GLU A 61 2.502 5.605 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 61 3.440 5.475 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.608 7.160 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.097 5.661 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.041 6.991 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.620 7.168 -2.107 1.00 0.00 H new ATOM 998 N GLU A 62 4.237 8.102 -2.921 1.00 0.00 N ATOM 999 CA GLU A 62 5.070 9.301 -2.893 1.00 0.00 C ATOM 1000 C GLU A 62 6.447 9.014 -3.480 1.00 0.00 C ATOM 1001 O GLU A 62 6.988 9.816 -4.243 1.00 0.00 O ATOM 1002 CB GLU A 62 5.210 9.817 -1.460 1.00 0.00 C ATOM 1003 CG GLU A 62 4.088 10.749 -1.035 1.00 0.00 C ATOM 1004 CD GLU A 62 4.279 12.164 -1.545 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.531 12.329 -2.757 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 4.179 13.107 -0.732 1.00 0.00 O ATOM 0 H GLU A 62 3.838 7.845 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 62 4.586 10.067 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.242 8.967 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.161 10.340 -1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.139 10.360 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.026 10.764 0.053 1.00 0.00 H new ATOM 1013 N GLU A 63 7.003 7.860 -3.128 1.00 0.00 N ATOM 1014 CA GLU A 63 8.311 7.460 -3.627 1.00 0.00 C ATOM 1015 C GLU A 63 8.249 7.204 -5.128 1.00 0.00 C ATOM 1016 O GLU A 63 9.215 7.445 -5.852 1.00 0.00 O ATOM 1017 CB GLU A 63 8.796 6.203 -2.903 1.00 0.00 C ATOM 1018 CG GLU A 63 8.641 6.274 -1.392 1.00 0.00 C ATOM 1019 CD GLU A 63 9.303 7.500 -0.796 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.520 7.444 -0.519 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 8.604 8.518 -0.604 1.00 0.00 O ATOM 0 H GLU A 63 6.567 7.186 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 63 9.015 8.270 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.242 5.342 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.846 6.036 -3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.581 6.279 -1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.072 5.379 -0.944 1.00 0.00 H new ATOM 1028 N ILE A 64 7.101 6.717 -5.587 1.00 0.00 N ATOM 1029 CA ILE A 64 6.904 6.429 -7.004 1.00 0.00 C ATOM 1030 C ILE A 64 7.098 7.684 -7.850 1.00 0.00 C ATOM 1031 O ILE A 64 7.564 7.613 -8.986 1.00 0.00 O ATOM 1032 CB ILE A 64 5.499 5.848 -7.274 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.232 4.651 -6.359 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.359 5.444 -8.737 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.890 3.992 -6.600 1.00 0.00 C ATOM 0 H ILE A 64 6.293 6.513 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 64 7.651 5.686 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 64 4.759 6.619 -7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.021 3.912 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.285 4.979 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.363 5.037 -8.908 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.508 6.318 -9.372 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.106 4.688 -8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.769 3.152 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.093 4.716 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.840 3.633 -7.628 1.00 0.00 H new ATOM 1047 N LYS A 65 6.735 8.834 -7.288 1.00 0.00 N ATOM 1048 CA LYS A 65 6.869 10.103 -7.991 1.00 0.00 C ATOM 1049 C LYS A 65 8.334 10.516 -8.090 1.00 0.00 C ATOM 1050 O LYS A 65 8.752 11.131 -9.072 1.00 0.00 O ATOM 1051 CB LYS A 65 6.068 11.195 -7.276 1.00 0.00 C ATOM 1052 CG LYS A 65 4.574 10.921 -7.227 1.00 0.00 C ATOM 1053 CD LYS A 65 4.003 10.685 -8.617 1.00 0.00 C ATOM 1054 CE LYS A 65 3.806 9.203 -8.896 1.00 0.00 C ATOM 1055 NZ LYS A 65 4.416 8.796 -10.191 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.346 8.911 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 65 6.475 9.974 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.443 11.301 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.238 12.147 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.384 10.049 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.064 11.764 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.049 11.204 -8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.673 11.111 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.247 8.620 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.740 8.975 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.830 8.060 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.473 9.620 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.372 8.423 -10.022 1.00 0.00 H new ATOM 1069 N LYS A 66 9.109 10.173 -7.066 1.00 0.00 N ATOM 1070 CA LYS A 66 10.528 10.507 -7.036 1.00 0.00 C ATOM 1071 C LYS A 66 11.277 9.806 -8.164 1.00 0.00 C ATOM 1072 O LYS A 66 12.290 10.305 -8.653 1.00 0.00 O ATOM 1073 CB LYS A 66 11.137 10.116 -5.688 1.00 0.00 C ATOM 1074 CG LYS A 66 10.579 10.905 -4.515 1.00 0.00 C ATOM 1075 CD LYS A 66 11.634 11.128 -3.442 1.00 0.00 C ATOM 1076 CE LYS A 66 11.222 12.226 -2.477 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.550 13.580 -3.003 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.778 9.664 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 66 10.624 11.584 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.964 9.054 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.217 10.260 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.207 11.867 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.730 10.372 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.797 10.201 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.582 11.391 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.151 12.160 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.724 12.076 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.253 14.301 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.576 13.653 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.051 13.733 -3.902 1.00 0.00 H new ATOM 1091 N LEU A 67 10.776 8.644 -8.571 1.00 0.00 N ATOM 1092 CA LEU A 67 11.402 7.876 -9.641 1.00 0.00 C ATOM 1093 C LEU A 67 10.717 8.142 -10.978 1.00 0.00 C ATOM 1094 O LEU A 67 9.494 8.397 -10.976 1.00 0.00 O ATOM 1095 CB LEU A 67 11.369 6.378 -9.308 1.00 0.00 C ATOM 1096 CG LEU A 67 10.088 5.640 -9.708 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.155 5.204 -11.165 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.858 4.441 -8.800 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.409 8.094 -12.018 1.00 0.00 O ATOM 0 H LEU A 67 9.939 8.214 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 67 12.441 8.194 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.214 5.896 -9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.515 6.259 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 67 9.247 6.324 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.236 4.681 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.271 6.081 -11.802 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.006 4.537 -11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.944 3.929 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.701 3.755 -8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.764 4.779 -7.768 1.00 0.00 H new TER 1111 LEU A 67