USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00313 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.177) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= -0.0709 (180deg=-0.392) USER MOD Single : A 34 TYR OH : rot 141:sc= -11! USER MOD Single : A 38 LYS NZ :NH3+ 137:sc= 1.94 (180deg=0.627) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= -0.0823 (180deg=-0.478) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0727 (180deg=-0.379) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -1.19 (180deg=-2.49!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.386 -4.416 9.973 1.00 0.00 N ATOM 2 CA GLY A 1 -15.743 -4.430 8.630 1.00 0.00 C ATOM 3 C GLY A 1 -16.248 -3.317 7.733 1.00 0.00 C ATOM 4 O GLY A 1 -16.430 -2.185 8.181 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.007 -5.196 10.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.187 -3.510 10.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.414 -4.532 9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.663 -4.337 8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.930 -5.391 8.151 1.00 0.00 H new ATOM 10 N SER A 2 -16.473 -3.639 6.462 1.00 0.00 N ATOM 11 CA SER A 2 -16.958 -2.660 5.493 1.00 0.00 C ATOM 12 C SER A 2 -15.888 -1.616 5.191 1.00 0.00 C ATOM 13 O SER A 2 -15.368 -1.551 4.077 1.00 0.00 O ATOM 14 CB SER A 2 -18.225 -1.974 6.012 1.00 0.00 C ATOM 15 OG SER A 2 -19.091 -2.904 6.639 1.00 0.00 O ATOM 0 H SER A 2 -16.327 -4.573 6.078 1.00 0.00 H new ATOM 0 HA SER A 2 -17.195 -3.190 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.954 -1.191 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.744 -1.490 5.185 1.00 0.00 H new ATOM 0 HG SER A 2 -19.891 -2.439 6.963 1.00 0.00 H new ATOM 21 N ARG A 3 -15.565 -0.800 6.189 1.00 0.00 N ATOM 22 CA ARG A 3 -14.559 0.242 6.028 1.00 0.00 C ATOM 23 C ARG A 3 -13.156 -0.356 5.970 1.00 0.00 C ATOM 24 O ARG A 3 -12.300 0.119 5.224 1.00 0.00 O ATOM 25 CB ARG A 3 -14.650 1.250 7.175 1.00 0.00 C ATOM 26 CG ARG A 3 -14.516 0.619 8.552 1.00 0.00 C ATOM 27 CD ARG A 3 -13.144 0.876 9.153 1.00 0.00 C ATOM 28 NE ARG A 3 -13.150 2.017 10.065 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.584 1.958 11.322 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.051 0.819 11.819 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.552 3.043 12.085 1.00 0.00 N ATOM 0 H ARG A 3 -15.986 -0.841 7.117 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.753 0.755 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.869 2.000 7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.605 1.771 7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.284 1.020 9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.687 -0.455 8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.810 -0.013 9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.426 1.055 8.353 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.801 2.911 9.719 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.079 -0.018 11.237 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.382 0.781 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.195 3.921 11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.884 2.999 13.048 1.00 0.00 H new ATOM 45 N VAL A 4 -12.928 -1.400 6.761 1.00 0.00 N ATOM 46 CA VAL A 4 -11.629 -2.061 6.796 1.00 0.00 C ATOM 47 C VAL A 4 -11.385 -2.863 5.522 1.00 0.00 C ATOM 48 O VAL A 4 -10.303 -2.804 4.938 1.00 0.00 O ATOM 49 CB VAL A 4 -11.509 -3.005 8.008 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.077 -3.489 8.171 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.994 -2.317 9.275 1.00 0.00 C ATOM 0 H VAL A 4 -13.625 -1.806 7.385 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.879 -1.274 6.880 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.143 -3.873 7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.014 -4.154 9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.770 -4.027 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.419 -2.634 8.324 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.901 -3.001 10.119 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.391 -1.428 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.038 -2.029 9.155 1.00 0.00 H new ATOM 61 N LYS A 5 -12.398 -3.612 5.094 1.00 0.00 N ATOM 62 CA LYS A 5 -12.286 -4.423 3.887 1.00 0.00 C ATOM 63 C LYS A 5 -12.070 -3.539 2.665 1.00 0.00 C ATOM 64 O LYS A 5 -11.228 -3.831 1.820 1.00 0.00 O ATOM 65 CB LYS A 5 -13.538 -5.285 3.700 1.00 0.00 C ATOM 66 CG LYS A 5 -13.628 -5.946 2.331 1.00 0.00 C ATOM 67 CD LYS A 5 -12.359 -6.713 1.997 1.00 0.00 C ATOM 68 CE LYS A 5 -12.659 -7.959 1.180 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.422 -8.564 0.616 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.302 -3.674 5.563 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.424 -5.080 3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.554 -6.058 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.421 -4.665 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.481 -6.625 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.806 -5.186 1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.678 -6.068 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.850 -6.995 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.167 -8.691 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.342 -7.706 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.670 -9.411 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.950 -7.875 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.781 -8.830 1.391 1.00 0.00 H new ATOM 83 N ALA A 6 -12.830 -2.453 2.582 1.00 0.00 N ATOM 84 CA ALA A 6 -12.710 -1.524 1.465 1.00 0.00 C ATOM 85 C ALA A 6 -11.281 -1.011 1.357 1.00 0.00 C ATOM 86 O ALA A 6 -10.765 -0.792 0.263 1.00 0.00 O ATOM 87 CB ALA A 6 -13.682 -0.367 1.632 1.00 0.00 C ATOM 0 H ALA A 6 -13.534 -2.195 3.273 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.958 -2.051 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.580 0.318 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.702 -0.751 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.462 0.162 2.559 1.00 0.00 H new ATOM 93 N LEU A 7 -10.651 -0.829 2.508 1.00 0.00 N ATOM 94 CA LEU A 7 -9.277 -0.352 2.573 1.00 0.00 C ATOM 95 C LEU A 7 -8.336 -1.291 1.825 1.00 0.00 C ATOM 96 O LEU A 7 -7.412 -0.852 1.143 1.00 0.00 O ATOM 97 CB LEU A 7 -8.847 -0.256 4.036 1.00 0.00 C ATOM 98 CG LEU A 7 -8.020 0.973 4.399 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.655 0.918 3.729 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.757 2.247 4.013 1.00 0.00 C ATOM 0 H LEU A 7 -11.075 -1.007 3.419 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.226 0.630 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.740 -0.268 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.271 -1.147 4.286 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.870 0.978 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.080 1.804 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.123 0.025 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.782 0.886 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.151 3.113 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.941 2.250 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.708 2.292 4.544 1.00 0.00 H new ATOM 112 N GLU A 8 -8.573 -2.588 1.980 1.00 0.00 N ATOM 113 CA GLU A 8 -7.746 -3.612 1.345 1.00 0.00 C ATOM 114 C GLU A 8 -7.865 -3.595 -0.183 1.00 0.00 C ATOM 115 O GLU A 8 -6.894 -3.870 -0.888 1.00 0.00 O ATOM 116 CB GLU A 8 -8.121 -4.998 1.896 1.00 0.00 C ATOM 117 CG GLU A 8 -9.159 -5.747 1.068 1.00 0.00 C ATOM 118 CD GLU A 8 -8.542 -6.514 -0.085 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.777 -7.465 0.176 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.824 -6.161 -1.250 1.00 0.00 O ATOM 0 H GLU A 8 -9.337 -2.960 2.544 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.706 -3.390 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.219 -5.606 1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.500 -4.881 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.701 -6.440 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.889 -5.037 0.678 1.00 0.00 H new ATOM 127 N GLU A 9 -9.057 -3.295 -0.689 1.00 0.00 N ATOM 128 CA GLU A 9 -9.292 -3.271 -2.132 1.00 0.00 C ATOM 129 C GLU A 9 -8.526 -2.142 -2.824 1.00 0.00 C ATOM 130 O GLU A 9 -8.060 -2.304 -3.949 1.00 0.00 O ATOM 131 CB GLU A 9 -10.794 -3.171 -2.437 1.00 0.00 C ATOM 132 CG GLU A 9 -11.407 -1.808 -2.152 1.00 0.00 C ATOM 133 CD GLU A 9 -12.229 -1.284 -3.314 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.645 -0.645 -4.213 1.00 0.00 O ATOM 135 OE2 GLU A 9 -13.457 -1.515 -3.324 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.875 -3.065 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.914 -4.211 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.956 -3.415 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.322 -3.923 -1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.039 -1.876 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.613 -1.097 -1.924 1.00 0.00 H new ATOM 142 N LYS A 10 -8.415 -0.997 -2.159 1.00 0.00 N ATOM 143 CA LYS A 10 -7.720 0.156 -2.727 1.00 0.00 C ATOM 144 C LYS A 10 -6.206 -0.054 -2.762 1.00 0.00 C ATOM 145 O LYS A 10 -5.527 0.416 -3.674 1.00 0.00 O ATOM 146 CB LYS A 10 -8.052 1.420 -1.927 1.00 0.00 C ATOM 147 CG LYS A 10 -7.632 1.350 -0.467 1.00 0.00 C ATOM 148 CD LYS A 10 -7.401 2.737 0.112 1.00 0.00 C ATOM 149 CE LYS A 10 -5.994 3.234 -0.178 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.571 4.297 0.776 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.797 -0.841 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.065 0.273 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.563 2.274 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.126 1.600 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.401 0.837 0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.720 0.760 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.128 3.433 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.565 2.715 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.296 2.399 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.949 3.621 -1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.701 4.749 0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.323 5.010 0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.393 3.875 1.710 1.00 0.00 H new ATOM 164 N VAL A 11 -5.685 -0.746 -1.756 1.00 0.00 N ATOM 165 CA VAL A 11 -4.251 -1.003 -1.655 1.00 0.00 C ATOM 166 C VAL A 11 -3.735 -1.867 -2.805 1.00 0.00 C ATOM 167 O VAL A 11 -2.671 -1.601 -3.362 1.00 0.00 O ATOM 168 CB VAL A 11 -3.910 -1.694 -0.320 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.403 -1.824 -0.147 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.527 -0.935 0.848 1.00 0.00 C ATOM 0 H VAL A 11 -6.236 -1.142 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.760 -0.031 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.334 -2.698 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.187 -2.314 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.993 -2.418 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.949 -0.833 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.276 -1.438 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.137 0.083 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.610 -0.906 0.732 1.00 0.00 H new ATOM 180 N LYS A 12 -4.485 -2.908 -3.145 1.00 0.00 N ATOM 181 CA LYS A 12 -4.094 -3.820 -4.216 1.00 0.00 C ATOM 182 C LYS A 12 -4.178 -3.150 -5.576 1.00 0.00 C ATOM 183 O LYS A 12 -3.332 -3.373 -6.442 1.00 0.00 O ATOM 184 CB LYS A 12 -4.963 -5.077 -4.198 1.00 0.00 C ATOM 185 CG LYS A 12 -4.157 -6.364 -4.131 1.00 0.00 C ATOM 186 CD LYS A 12 -4.508 -7.173 -2.894 1.00 0.00 C ATOM 187 CE LYS A 12 -5.436 -8.329 -3.229 1.00 0.00 C ATOM 188 NZ LYS A 12 -6.869 -7.946 -3.100 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.369 -3.143 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.056 -4.103 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.636 -5.033 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.586 -5.093 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.346 -6.960 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.093 -6.129 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.595 -7.558 -2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.983 -6.525 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.241 -8.668 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.224 -9.169 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.469 -8.762 -3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.062 -7.647 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.079 -7.162 -3.750 1.00 0.00 H new ATOM 202 N ALA A 13 -5.197 -2.324 -5.760 1.00 0.00 N ATOM 203 CA ALA A 13 -5.374 -1.624 -7.020 1.00 0.00 C ATOM 204 C ALA A 13 -4.127 -0.815 -7.333 1.00 0.00 C ATOM 205 O ALA A 13 -3.703 -0.720 -8.485 1.00 0.00 O ATOM 206 CB ALA A 13 -6.598 -0.721 -6.963 1.00 0.00 C ATOM 0 H ALA A 13 -5.909 -2.124 -5.057 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.531 -2.355 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.714 -0.205 -7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.485 -1.323 -6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.472 0.012 -6.166 1.00 0.00 H new ATOM 212 N LEU A 14 -3.528 -0.257 -6.288 1.00 0.00 N ATOM 213 CA LEU A 14 -2.304 0.518 -6.441 1.00 0.00 C ATOM 214 C LEU A 14 -1.134 -0.393 -6.780 1.00 0.00 C ATOM 215 O LEU A 14 -0.198 0.010 -7.458 1.00 0.00 O ATOM 216 CB LEU A 14 -1.992 1.314 -5.177 1.00 0.00 C ATOM 217 CG LEU A 14 -1.221 2.612 -5.424 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.537 3.640 -4.350 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.276 2.338 -5.492 1.00 0.00 C ATOM 0 H LEU A 14 -3.869 -0.326 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.458 1.220 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.928 1.552 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.414 0.685 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.536 3.022 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.978 4.555 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.605 3.859 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.256 3.245 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.809 3.272 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.609 1.902 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.482 1.643 -6.306 1.00 0.00 H new ATOM 231 N GLU A 15 -1.192 -1.621 -6.284 1.00 0.00 N ATOM 232 CA GLU A 15 -0.137 -2.601 -6.513 1.00 0.00 C ATOM 233 C GLU A 15 0.131 -2.804 -8.004 1.00 0.00 C ATOM 234 O GLU A 15 1.275 -2.965 -8.426 1.00 0.00 O ATOM 235 CB GLU A 15 -0.533 -3.932 -5.875 1.00 0.00 C ATOM 236 CG GLU A 15 0.603 -4.931 -5.809 1.00 0.00 C ATOM 237 CD GLU A 15 0.236 -6.277 -6.403 1.00 0.00 C ATOM 238 OE1 GLU A 15 0.150 -6.374 -7.645 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.035 -7.234 -5.626 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.966 -1.965 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 15 0.779 -2.225 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.903 -3.747 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.356 -4.367 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.466 -4.528 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.902 -5.067 -4.770 1.00 0.00 H new ATOM 246 N GLU A 16 -0.939 -2.806 -8.784 1.00 0.00 N ATOM 247 CA GLU A 16 -0.857 -3.002 -10.230 1.00 0.00 C ATOM 248 C GLU A 16 -0.142 -1.844 -10.915 1.00 0.00 C ATOM 249 O GLU A 16 0.551 -2.035 -11.912 1.00 0.00 O ATOM 250 CB GLU A 16 -2.258 -3.167 -10.820 1.00 0.00 C ATOM 251 CG GLU A 16 -3.014 -4.364 -10.269 1.00 0.00 C ATOM 252 CD GLU A 16 -4.300 -4.640 -11.024 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.413 -4.196 -12.185 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -5.194 -5.300 -10.453 1.00 0.00 O ATOM 0 H GLU A 16 -1.889 -2.672 -8.437 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.277 -3.908 -10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.834 -2.263 -10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.178 -3.266 -11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.374 -5.245 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.244 -4.191 -9.218 1.00 0.00 H new ATOM 261 N LYS A 17 -0.323 -0.643 -10.383 1.00 0.00 N ATOM 262 CA LYS A 17 0.301 0.545 -10.950 1.00 0.00 C ATOM 263 C LYS A 17 1.813 0.529 -10.733 1.00 0.00 C ATOM 264 O LYS A 17 2.569 1.085 -11.529 1.00 0.00 O ATOM 265 CB LYS A 17 -0.323 1.823 -10.366 1.00 0.00 C ATOM 266 CG LYS A 17 0.121 2.155 -8.949 1.00 0.00 C ATOM 267 CD LYS A 17 0.582 3.600 -8.826 1.00 0.00 C ATOM 268 CE LYS A 17 -0.482 4.574 -9.311 1.00 0.00 C ATOM 269 NZ LYS A 17 -0.750 5.646 -8.312 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.897 -0.465 -9.559 1.00 0.00 H new ATOM 0 HA LYS A 17 0.118 0.539 -12.024 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.075 2.662 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.408 1.720 -10.378 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.703 1.976 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.932 1.488 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.827 3.817 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.495 3.741 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.161 5.025 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.404 4.031 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.480 6.289 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.081 5.218 -7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.124 6.181 -8.134 1.00 0.00 H new ATOM 283 N VAL A 18 2.246 -0.095 -9.641 1.00 0.00 N ATOM 284 CA VAL A 18 3.669 -0.164 -9.310 1.00 0.00 C ATOM 285 C VAL A 18 4.435 -1.072 -10.271 1.00 0.00 C ATOM 286 O VAL A 18 5.507 -0.709 -10.757 1.00 0.00 O ATOM 287 CB VAL A 18 3.881 -0.673 -7.872 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.342 -0.552 -7.470 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.988 0.083 -6.900 1.00 0.00 C ATOM 0 H VAL A 18 1.634 -0.560 -8.970 1.00 0.00 H new ATOM 0 HA VAL A 18 4.055 0.851 -9.401 1.00 0.00 H new ATOM 0 HB VAL A 18 3.606 -1.727 -7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.470 -0.917 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.956 -1.145 -8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.649 0.493 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.152 -0.291 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.227 1.146 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.944 -0.064 -7.176 1.00 0.00 H new ATOM 299 N LYS A 19 3.886 -2.251 -10.537 1.00 0.00 N ATOM 300 CA LYS A 19 4.525 -3.208 -11.435 1.00 0.00 C ATOM 301 C LYS A 19 4.480 -2.729 -12.883 1.00 0.00 C ATOM 302 O LYS A 19 5.287 -3.152 -13.712 1.00 0.00 O ATOM 303 CB LYS A 19 3.855 -4.579 -11.316 1.00 0.00 C ATOM 304 CG LYS A 19 2.373 -4.568 -11.650 1.00 0.00 C ATOM 305 CD LYS A 19 2.136 -4.696 -13.146 1.00 0.00 C ATOM 306 CE LYS A 19 0.976 -5.631 -13.449 1.00 0.00 C ATOM 307 NZ LYS A 19 0.625 -5.632 -14.896 1.00 0.00 N1+ ATOM 0 H LYS A 19 3.000 -2.568 -10.144 1.00 0.00 H new ATOM 0 HA LYS A 19 5.571 -3.293 -11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.362 -5.280 -11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.986 -4.950 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.876 -5.388 -11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.925 -3.643 -11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.931 -3.712 -13.568 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.040 -5.068 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.235 -6.643 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.106 -5.331 -12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.170 -6.282 -15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.353 -4.672 -15.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.447 -5.943 -15.452 1.00 0.00 H new ATOM 321 N ALA A 20 3.529 -1.851 -13.185 1.00 0.00 N ATOM 322 CA ALA A 20 3.374 -1.323 -14.534 1.00 0.00 C ATOM 323 C ALA A 20 4.392 -0.225 -14.827 1.00 0.00 C ATOM 324 O ALA A 20 4.771 -0.011 -15.978 1.00 0.00 O ATOM 325 CB ALA A 20 1.958 -0.801 -14.731 1.00 0.00 C ATOM 0 H ALA A 20 2.853 -1.490 -12.512 1.00 0.00 H new ATOM 0 HA ALA A 20 3.556 -2.137 -15.236 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.852 -0.408 -15.742 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.247 -1.613 -14.581 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.759 -0.007 -14.011 1.00 0.00 H new ATOM 331 N LEU A 21 4.830 0.471 -13.782 1.00 0.00 N ATOM 332 CA LEU A 21 5.802 1.547 -13.940 1.00 0.00 C ATOM 333 C LEU A 21 7.193 0.995 -14.256 1.00 0.00 C ATOM 334 O LEU A 21 8.083 1.736 -14.675 1.00 0.00 O ATOM 335 CB LEU A 21 5.839 2.421 -12.677 1.00 0.00 C ATOM 336 CG LEU A 21 6.851 2.005 -11.601 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.070 2.915 -11.639 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.209 2.029 -10.220 1.00 0.00 C ATOM 0 H LEU A 21 4.529 0.310 -12.821 1.00 0.00 H new ATOM 0 HA LEU A 21 5.491 2.164 -14.783 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.056 3.447 -12.975 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.844 2.423 -12.231 1.00 0.00 H new ATOM 0 HG LEU A 21 7.174 0.985 -11.809 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.778 2.607 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.545 2.847 -12.618 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.761 3.944 -11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.944 1.731 -9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.856 3.037 -10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.367 1.337 -10.198 1.00 0.00 H new ATOM 350 N GLY A 22 7.375 -0.309 -14.056 1.00 0.00 N ATOM 351 CA GLY A 22 8.658 -0.929 -14.329 1.00 0.00 C ATOM 352 C GLY A 22 9.004 -2.012 -13.326 1.00 0.00 C ATOM 353 O GLY A 22 8.145 -2.465 -12.570 1.00 0.00 O ATOM 0 H GLY A 22 6.657 -0.945 -13.710 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.645 -1.357 -15.331 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.436 -0.166 -14.318 1.00 0.00 H new ATOM 357 N GLY A 23 10.267 -2.427 -13.319 1.00 0.00 N ATOM 358 CA GLY A 23 10.703 -3.460 -12.398 1.00 0.00 C ATOM 359 C GLY A 23 12.165 -3.820 -12.580 1.00 0.00 C ATOM 360 O GLY A 23 12.517 -4.568 -13.492 1.00 0.00 O ATOM 0 H GLY A 23 10.996 -2.066 -13.935 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.540 -3.122 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.092 -4.351 -12.541 1.00 0.00 H new ATOM 364 N GLY A 24 13.018 -3.287 -11.711 1.00 0.00 N ATOM 365 CA GLY A 24 14.438 -3.569 -11.800 1.00 0.00 C ATOM 366 C GLY A 24 15.258 -2.744 -10.826 1.00 0.00 C ATOM 367 O GLY A 24 16.150 -1.999 -11.231 1.00 0.00 O ATOM 0 H GLY A 24 12.751 -2.665 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.607 -4.628 -11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.781 -3.372 -12.816 1.00 0.00 H new ATOM 371 N GLY A 25 14.957 -2.879 -9.538 1.00 0.00 N ATOM 372 CA GLY A 25 15.683 -2.136 -8.525 1.00 0.00 C ATOM 373 C GLY A 25 14.771 -1.296 -7.652 1.00 0.00 C ATOM 374 O GLY A 25 14.137 -1.810 -6.730 1.00 0.00 O ATOM 0 H GLY A 25 14.223 -3.490 -9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.240 -2.833 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.414 -1.488 -9.009 1.00 0.00 H new ATOM 378 N ARG A 26 14.704 -0.001 -7.944 1.00 0.00 N ATOM 379 CA ARG A 26 13.864 0.914 -7.179 1.00 0.00 C ATOM 380 C ARG A 26 12.404 0.473 -7.215 1.00 0.00 C ATOM 381 O ARG A 26 11.715 0.505 -6.201 1.00 0.00 O ATOM 382 CB ARG A 26 13.990 2.339 -7.731 1.00 0.00 C ATOM 383 CG ARG A 26 12.857 3.266 -7.308 1.00 0.00 C ATOM 384 CD ARG A 26 13.303 4.718 -7.264 1.00 0.00 C ATOM 385 NE ARG A 26 13.246 5.266 -5.911 1.00 0.00 N ATOM 386 CZ ARG A 26 13.900 6.359 -5.524 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.664 7.023 -6.383 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 13.789 6.790 -4.275 1.00 0.00 N ATOM 0 H ARG A 26 15.221 0.439 -8.705 1.00 0.00 H new ATOM 0 HA ARG A 26 14.205 0.899 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.937 2.764 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.024 2.295 -8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.024 3.163 -8.003 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.491 2.968 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.321 4.796 -7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.670 5.312 -7.923 1.00 0.00 H new ATOM 0 HE ARG A 26 12.671 4.782 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.752 6.696 -7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.163 7.860 -6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.203 6.284 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.290 7.627 -3.978 1.00 0.00 H new ATOM 402 N ILE A 27 11.941 0.088 -8.396 1.00 0.00 N ATOM 403 CA ILE A 27 10.559 -0.342 -8.582 1.00 0.00 C ATOM 404 C ILE A 27 10.259 -1.659 -7.866 1.00 0.00 C ATOM 405 O ILE A 27 9.218 -1.801 -7.228 1.00 0.00 O ATOM 406 CB ILE A 27 10.225 -0.499 -10.078 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.662 0.746 -10.854 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.736 -0.749 -10.265 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.214 0.442 -12.229 1.00 0.00 C ATOM 0 H ILE A 27 12.505 0.064 -9.246 1.00 0.00 H new ATOM 0 HA ILE A 27 9.936 0.438 -8.144 1.00 0.00 H new ATOM 0 HB ILE A 27 10.770 -1.358 -10.468 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.810 1.418 -10.955 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.420 1.276 -10.277 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.516 -0.858 -11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.451 -1.661 -9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.172 0.092 -9.862 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.503 1.372 -12.719 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.086 -0.205 -12.136 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.451 -0.060 -12.824 1.00 0.00 H new ATOM 421 N GLU A 28 11.162 -2.626 -8.001 1.00 0.00 N ATOM 422 CA GLU A 28 10.983 -3.944 -7.393 1.00 0.00 C ATOM 423 C GLU A 28 10.878 -3.876 -5.869 1.00 0.00 C ATOM 424 O GLU A 28 10.007 -4.505 -5.272 1.00 0.00 O ATOM 425 CB GLU A 28 12.139 -4.863 -7.788 1.00 0.00 C ATOM 426 CG GLU A 28 12.077 -5.330 -9.233 1.00 0.00 C ATOM 427 CD GLU A 28 12.347 -6.815 -9.379 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.100 -7.366 -8.549 1.00 0.00 O ATOM 429 OE2 GLU A 28 11.807 -7.427 -10.324 1.00 0.00 O1- ATOM 0 H GLU A 28 12.029 -2.522 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 28 10.041 -4.345 -7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.081 -4.340 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.140 -5.734 -7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.093 -5.102 -9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.805 -4.773 -9.822 1.00 0.00 H new ATOM 436 N GLU A 29 11.779 -3.133 -5.244 1.00 0.00 N ATOM 437 CA GLU A 29 11.796 -3.007 -3.787 1.00 0.00 C ATOM 438 C GLU A 29 10.530 -2.336 -3.255 1.00 0.00 C ATOM 439 O GLU A 29 10.020 -2.701 -2.195 1.00 0.00 O ATOM 440 CB GLU A 29 13.026 -2.213 -3.343 1.00 0.00 C ATOM 441 CG GLU A 29 13.099 -0.820 -3.945 1.00 0.00 C ATOM 442 CD GLU A 29 14.402 -0.114 -3.624 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.448 -0.794 -3.568 1.00 0.00 O ATOM 444 OE2 GLU A 29 14.377 1.119 -3.428 1.00 0.00 O1- ATOM 0 H GLU A 29 12.511 -2.606 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 29 11.838 -4.015 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.022 -2.131 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.924 -2.766 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.984 -0.889 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.266 -0.224 -3.574 1.00 0.00 H new ATOM 451 N LEU A 30 10.049 -1.337 -3.981 1.00 0.00 N ATOM 452 CA LEU A 30 8.868 -0.584 -3.583 1.00 0.00 C ATOM 453 C LEU A 30 7.641 -1.480 -3.410 1.00 0.00 C ATOM 454 O LEU A 30 6.919 -1.369 -2.420 1.00 0.00 O ATOM 455 CB LEU A 30 8.590 0.490 -4.636 1.00 0.00 C ATOM 456 CG LEU A 30 8.287 1.885 -4.088 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.545 2.511 -3.506 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.707 2.771 -5.182 1.00 0.00 C ATOM 0 H LEU A 30 10.464 -1.026 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 30 9.066 -0.126 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.454 0.558 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.746 0.167 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 30 7.548 1.792 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.312 3.504 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.921 1.886 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.304 2.593 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.497 3.760 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.425 2.859 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.784 2.329 -5.557 1.00 0.00 H new ATOM 470 N LYS A 31 7.407 -2.363 -4.375 1.00 0.00 N ATOM 471 CA LYS A 31 6.260 -3.269 -4.317 1.00 0.00 C ATOM 472 C LYS A 31 6.388 -4.268 -3.176 1.00 0.00 C ATOM 473 O LYS A 31 5.390 -4.658 -2.579 1.00 0.00 O ATOM 474 CB LYS A 31 6.038 -4.006 -5.640 1.00 0.00 C ATOM 475 CG LYS A 31 7.307 -4.319 -6.414 1.00 0.00 C ATOM 476 CD LYS A 31 7.008 -5.124 -7.668 1.00 0.00 C ATOM 477 CE LYS A 31 7.222 -6.611 -7.440 1.00 0.00 C ATOM 478 NZ LYS A 31 6.548 -7.436 -8.481 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.992 -2.472 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 31 5.387 -2.643 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.513 -4.940 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.384 -3.404 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.807 -3.390 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.995 -4.876 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.978 -4.947 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.649 -4.784 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.290 -6.828 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.841 -6.886 -6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.718 -8.444 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.525 -7.248 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.929 -7.193 -9.417 1.00 0.00 H new ATOM 492 N LYS A 32 7.614 -4.691 -2.881 1.00 0.00 N ATOM 493 CA LYS A 32 7.844 -5.657 -1.811 1.00 0.00 C ATOM 494 C LYS A 32 7.267 -5.137 -0.500 1.00 0.00 C ATOM 495 O LYS A 32 6.666 -5.888 0.270 1.00 0.00 O ATOM 496 CB LYS A 32 9.341 -5.931 -1.651 1.00 0.00 C ATOM 497 CG LYS A 32 9.947 -6.699 -2.814 1.00 0.00 C ATOM 498 CD LYS A 32 11.439 -6.919 -2.620 1.00 0.00 C ATOM 499 CE LYS A 32 11.843 -8.345 -2.959 1.00 0.00 C ATOM 500 NZ LYS A 32 12.497 -8.435 -4.294 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.458 -4.383 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 32 7.344 -6.589 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.866 -4.982 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.503 -6.494 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.446 -7.662 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.776 -6.152 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.995 -6.223 -3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.708 -6.700 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.524 -8.721 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.961 -8.986 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.757 -9.423 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.839 -8.101 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.353 -7.844 -4.302 1.00 0.00 H new ATOM 514 N LYS A 33 7.433 -3.842 -0.265 1.00 0.00 N ATOM 515 CA LYS A 33 6.909 -3.208 0.936 1.00 0.00 C ATOM 516 C LYS A 33 5.384 -3.224 0.913 1.00 0.00 C ATOM 517 O LYS A 33 4.734 -3.362 1.949 1.00 0.00 O ATOM 518 CB LYS A 33 7.418 -1.770 1.047 1.00 0.00 C ATOM 519 CG LYS A 33 7.254 -1.174 2.435 1.00 0.00 C ATOM 520 CD LYS A 33 7.968 0.163 2.556 1.00 0.00 C ATOM 521 CE LYS A 33 7.067 1.317 2.145 1.00 0.00 C ATOM 522 NZ LYS A 33 6.656 2.143 3.314 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.928 -3.209 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 33 7.257 -3.767 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.472 -1.744 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.885 -1.148 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.194 -1.042 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.648 -1.867 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.299 0.308 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.861 0.157 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.588 1.945 1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.180 0.926 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.686 3.150 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.688 1.887 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.306 1.969 4.107 1.00 0.00 H new ATOM 536 N TYR A 34 4.824 -3.071 -0.284 1.00 0.00 N ATOM 537 CA TYR A 34 3.377 -3.055 -0.467 1.00 0.00 C ATOM 538 C TYR A 34 2.726 -4.326 0.078 1.00 0.00 C ATOM 539 O TYR A 34 1.637 -4.273 0.644 1.00 0.00 O ATOM 540 CB TYR A 34 3.030 -2.880 -1.951 1.00 0.00 C ATOM 541 CG TYR A 34 2.162 -1.675 -2.223 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.852 -1.622 -1.762 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.652 -0.589 -2.935 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.056 -0.520 -2.006 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.862 0.517 -3.180 1.00 0.00 C ATOM 546 CZ TYR A 34 0.565 0.546 -2.715 1.00 0.00 C ATOM 547 OH TYR A 34 -0.223 1.646 -2.954 1.00 0.00 O ATOM 0 H TYR A 34 5.356 -2.956 -1.147 1.00 0.00 H new ATOM 0 HA TYR A 34 2.982 -2.209 0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.953 -2.792 -2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.519 -3.775 -2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.450 -2.455 -1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.667 -0.609 -3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.961 -0.494 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.259 1.355 -3.733 1.00 0.00 H new ATOM 0 HH TYR A 34 0.317 2.460 -2.869 1.00 0.00 H new ATOM 557 N GLU A 35 3.392 -5.465 -0.096 1.00 0.00 N ATOM 558 CA GLU A 35 2.864 -6.740 0.383 1.00 0.00 C ATOM 559 C GLU A 35 2.597 -6.687 1.883 1.00 0.00 C ATOM 560 O GLU A 35 1.560 -7.150 2.358 1.00 0.00 O ATOM 561 CB GLU A 35 3.842 -7.873 0.067 1.00 0.00 C ATOM 562 CG GLU A 35 3.928 -8.207 -1.414 1.00 0.00 C ATOM 563 CD GLU A 35 2.746 -9.025 -1.895 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.760 -10.259 -1.703 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 1.806 -8.432 -2.465 1.00 0.00 O ATOM 0 H GLU A 35 4.296 -5.531 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 35 1.921 -6.931 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.833 -7.597 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.541 -8.766 0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.984 -7.283 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.849 -8.758 -1.606 1.00 0.00 H new ATOM 572 N GLU A 36 3.540 -6.113 2.622 1.00 0.00 N ATOM 573 CA GLU A 36 3.413 -5.987 4.069 1.00 0.00 C ATOM 574 C GLU A 36 2.150 -5.214 4.436 1.00 0.00 C ATOM 575 O GLU A 36 1.486 -5.522 5.424 1.00 0.00 O ATOM 576 CB GLU A 36 4.643 -5.289 4.653 1.00 0.00 C ATOM 577 CG GLU A 36 5.139 -5.911 5.948 1.00 0.00 C ATOM 578 CD GLU A 36 6.619 -6.237 5.911 1.00 0.00 C ATOM 579 OE1 GLU A 36 7.137 -6.523 4.811 1.00 0.00 O ATOM 580 OE2 GLU A 36 7.261 -6.206 6.982 1.00 0.00 O1- ATOM 0 H GLU A 36 4.404 -5.726 2.241 1.00 0.00 H new ATOM 0 HA GLU A 36 3.341 -6.989 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.447 -5.312 3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.405 -4.240 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.942 -5.227 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.575 -6.822 6.148 1.00 0.00 H new ATOM 587 N LEU A 37 1.837 -4.202 3.635 1.00 0.00 N ATOM 588 CA LEU A 37 0.666 -3.363 3.864 1.00 0.00 C ATOM 589 C LEU A 37 -0.623 -4.179 3.867 1.00 0.00 C ATOM 590 O LEU A 37 -1.484 -3.993 4.723 1.00 0.00 O ATOM 591 CB LEU A 37 0.593 -2.291 2.774 1.00 0.00 C ATOM 592 CG LEU A 37 0.761 -0.850 3.251 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.560 -0.298 3.762 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.834 -0.758 4.326 1.00 0.00 C ATOM 0 H LEU A 37 2.383 -3.941 2.814 1.00 0.00 H new ATOM 0 HA LEU A 37 0.768 -2.899 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.363 -2.501 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.369 -2.377 2.269 1.00 0.00 H new ATOM 0 HG LEU A 37 1.079 -0.245 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.420 0.730 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.298 -0.320 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.911 -0.907 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.936 0.278 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.551 -1.379 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.784 -1.107 3.922 1.00 0.00 H new ATOM 606 N LYS A 38 -0.751 -5.071 2.896 1.00 0.00 N ATOM 607 CA LYS A 38 -1.939 -5.911 2.769 1.00 0.00 C ATOM 608 C LYS A 38 -2.169 -6.755 4.022 1.00 0.00 C ATOM 609 O LYS A 38 -3.305 -6.948 4.449 1.00 0.00 O ATOM 610 CB LYS A 38 -1.812 -6.822 1.547 1.00 0.00 C ATOM 611 CG LYS A 38 -1.274 -6.115 0.313 1.00 0.00 C ATOM 612 CD LYS A 38 -1.803 -6.744 -0.965 1.00 0.00 C ATOM 613 CE LYS A 38 -0.824 -6.576 -2.116 1.00 0.00 C ATOM 614 NZ LYS A 38 -0.843 -7.747 -3.036 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.044 -5.234 2.179 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.798 -5.251 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.155 -7.656 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.790 -7.244 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.554 -5.062 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.185 -6.155 0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.992 -7.805 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.757 -6.288 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.070 -5.672 -2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.183 -6.442 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.824 -7.415 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.010 -8.344 -2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.708 -8.302 -2.874 1.00 0.00 H new ATOM 628 N LYS A 39 -1.085 -7.271 4.590 1.00 0.00 N ATOM 629 CA LYS A 39 -1.159 -8.115 5.781 1.00 0.00 C ATOM 630 C LYS A 39 -1.714 -7.364 6.994 1.00 0.00 C ATOM 631 O LYS A 39 -2.441 -7.939 7.802 1.00 0.00 O ATOM 632 CB LYS A 39 0.224 -8.679 6.112 1.00 0.00 C ATOM 633 CG LYS A 39 0.930 -9.302 4.918 1.00 0.00 C ATOM 634 CD LYS A 39 1.008 -10.816 5.041 1.00 0.00 C ATOM 635 CE LYS A 39 2.286 -11.360 4.421 1.00 0.00 C ATOM 636 NZ LYS A 39 2.055 -12.648 3.709 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.138 -7.119 4.243 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.848 -8.929 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.846 -7.880 6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.123 -9.430 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.400 -9.038 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.936 -8.891 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.963 -11.100 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.144 -11.267 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.691 -10.627 3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.034 -11.505 5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.950 -12.985 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.693 -13.355 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.360 -12.504 2.948 1.00 0.00 H new ATOM 650 N LYS A 40 -1.347 -6.094 7.133 1.00 0.00 N ATOM 651 CA LYS A 40 -1.791 -5.283 8.268 1.00 0.00 C ATOM 652 C LYS A 40 -3.304 -5.062 8.258 1.00 0.00 C ATOM 653 O LYS A 40 -3.966 -5.199 9.286 1.00 0.00 O ATOM 654 CB LYS A 40 -1.070 -3.932 8.263 1.00 0.00 C ATOM 655 CG LYS A 40 -0.555 -3.514 9.631 1.00 0.00 C ATOM 656 CD LYS A 40 0.388 -2.325 9.534 1.00 0.00 C ATOM 657 CE LYS A 40 1.709 -2.712 8.889 1.00 0.00 C ATOM 658 NZ LYS A 40 2.419 -3.767 9.665 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.743 -5.601 6.475 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.542 -5.830 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.232 -3.979 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.751 -3.167 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.397 -3.260 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.038 -4.352 10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.083 -1.532 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.572 -1.923 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.527 -3.068 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.345 -1.831 8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.420 -3.789 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.348 -3.558 10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.985 -4.692 9.471 1.00 0.00 H new ATOM 672 N ILE A 41 -3.841 -4.714 7.096 1.00 0.00 N ATOM 673 CA ILE A 41 -5.272 -4.467 6.953 1.00 0.00 C ATOM 674 C ILE A 41 -6.071 -5.714 7.304 1.00 0.00 C ATOM 675 O ILE A 41 -7.161 -5.632 7.870 1.00 0.00 O ATOM 676 CB ILE A 41 -5.626 -4.021 5.520 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.778 -2.814 5.112 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.108 -3.689 5.416 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.988 -2.386 3.676 1.00 0.00 C ATOM 0 H ILE A 41 -3.306 -4.596 6.236 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.532 -3.664 7.643 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.408 -4.843 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.011 -1.977 5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.725 -3.053 5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.340 -3.376 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.697 -4.571 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.349 -2.882 6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.356 -1.526 3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.727 -3.208 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.033 -2.115 3.526 1.00 0.00 H new ATOM 691 N GLU A 42 -5.510 -6.867 6.972 1.00 0.00 N ATOM 692 CA GLU A 42 -6.148 -8.143 7.256 1.00 0.00 C ATOM 693 C GLU A 42 -6.244 -8.359 8.760 1.00 0.00 C ATOM 694 O GLU A 42 -7.192 -8.968 9.255 1.00 0.00 O ATOM 695 CB GLU A 42 -5.362 -9.285 6.605 1.00 0.00 C ATOM 696 CG GLU A 42 -6.118 -9.983 5.485 1.00 0.00 C ATOM 697 CD GLU A 42 -6.538 -11.392 5.854 1.00 0.00 C ATOM 698 OE1 GLU A 42 -7.369 -11.543 6.774 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -6.035 -12.346 5.222 1.00 0.00 O ATOM 0 H GLU A 42 -4.608 -6.945 6.502 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.155 -8.131 6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.426 -8.891 6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.102 -10.018 7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.003 -9.399 5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.491 -10.016 4.594 1.00 0.00 H new ATOM 706 N GLU A 43 -5.246 -7.856 9.480 1.00 0.00 N ATOM 707 CA GLU A 43 -5.201 -7.993 10.931 1.00 0.00 C ATOM 708 C GLU A 43 -6.132 -6.992 11.610 1.00 0.00 C ATOM 709 O GLU A 43 -6.595 -7.221 12.728 1.00 0.00 O ATOM 710 CB GLU A 43 -3.771 -7.800 11.436 1.00 0.00 C ATOM 711 CG GLU A 43 -2.962 -9.087 11.477 1.00 0.00 C ATOM 712 CD GLU A 43 -2.088 -9.187 12.712 1.00 0.00 C ATOM 713 OE1 GLU A 43 -2.467 -8.615 13.756 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -1.024 -9.837 12.635 1.00 0.00 O ATOM 0 H GLU A 43 -4.456 -7.349 9.081 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.539 -8.998 11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.262 -7.081 10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.803 -7.368 12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.641 -9.939 11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.335 -9.146 10.587 1.00 0.00 H new ATOM 721 N LEU A 44 -6.403 -5.882 10.930 1.00 0.00 N ATOM 722 CA LEU A 44 -7.278 -4.847 11.471 1.00 0.00 C ATOM 723 C LEU A 44 -8.645 -5.421 11.836 1.00 0.00 C ATOM 724 O LEU A 44 -9.492 -5.633 10.969 1.00 0.00 O ATOM 725 CB LEU A 44 -7.440 -3.710 10.459 1.00 0.00 C ATOM 726 CG LEU A 44 -6.913 -2.352 10.923 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.695 -1.432 9.733 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.875 -1.720 11.918 1.00 0.00 C ATOM 0 H LEU A 44 -6.029 -5.676 10.003 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.818 -4.455 12.378 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.926 -3.987 9.539 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.498 -3.609 10.215 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.955 -2.504 11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.320 -0.470 10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.969 -1.881 9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.639 -1.285 9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.485 -0.754 12.238 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.847 -1.580 11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.983 -2.373 12.784 1.00 0.00 H new ATOM 740 N GLY A 45 -8.852 -5.667 13.126 1.00 0.00 N ATOM 741 CA GLY A 45 -10.118 -6.211 13.582 1.00 0.00 C ATOM 742 C GLY A 45 -11.041 -5.144 14.137 1.00 0.00 C ATOM 743 O GLY A 45 -12.237 -5.135 13.844 1.00 0.00 O ATOM 0 H GLY A 45 -8.167 -5.500 13.863 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.611 -6.719 12.753 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.932 -6.962 14.350 1.00 0.00 H new ATOM 747 N GLY A 46 -10.485 -4.242 14.939 1.00 0.00 N ATOM 748 CA GLY A 46 -11.280 -3.178 15.522 1.00 0.00 C ATOM 749 C GLY A 46 -11.319 -1.938 14.650 1.00 0.00 C ATOM 750 O GLY A 46 -11.053 -2.008 13.450 1.00 0.00 O ATOM 0 H GLY A 46 -9.498 -4.229 15.195 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.297 -3.536 15.685 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.873 -2.918 16.499 1.00 0.00 H new ATOM 754 N GLY A 47 -11.651 -0.801 15.253 1.00 0.00 N ATOM 755 CA GLY A 47 -11.718 0.442 14.508 1.00 0.00 C ATOM 756 C GLY A 47 -10.855 1.531 15.115 1.00 0.00 C ATOM 757 O GLY A 47 -10.828 1.705 16.333 1.00 0.00 O ATOM 0 H GLY A 47 -11.875 -0.719 16.245 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.402 0.263 13.480 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.753 0.783 14.469 1.00 0.00 H new ATOM 761 N GLY A 48 -10.147 2.266 14.262 1.00 0.00 N ATOM 762 CA GLY A 48 -9.289 3.335 14.738 1.00 0.00 C ATOM 763 C GLY A 48 -7.902 3.282 14.126 1.00 0.00 C ATOM 764 O GLY A 48 -7.230 4.306 14.006 1.00 0.00 O ATOM 0 H GLY A 48 -10.153 2.140 13.250 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.748 4.296 14.506 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.206 3.275 15.823 1.00 0.00 H new ATOM 768 N GLU A 49 -7.474 2.085 13.740 1.00 0.00 N ATOM 769 CA GLU A 49 -6.158 1.900 13.138 1.00 0.00 C ATOM 770 C GLU A 49 -6.235 1.948 11.613 1.00 0.00 C ATOM 771 O GLU A 49 -5.220 2.126 10.940 1.00 0.00 O ATOM 772 CB GLU A 49 -5.554 0.569 13.588 1.00 0.00 C ATOM 773 CG GLU A 49 -4.149 0.329 13.060 1.00 0.00 C ATOM 774 CD GLU A 49 -3.370 -0.659 13.906 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.874 -1.781 14.124 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.255 -0.312 14.351 1.00 0.00 O ATOM 0 H GLU A 49 -8.019 1.228 13.833 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.518 2.717 13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.534 0.539 14.677 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.201 -0.244 13.258 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.208 -0.041 12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.611 1.276 13.026 1.00 0.00 H new ATOM 783 N VAL A 50 -7.440 1.786 11.072 1.00 0.00 N ATOM 784 CA VAL A 50 -7.638 1.810 9.627 1.00 0.00 C ATOM 785 C VAL A 50 -7.069 3.084 9.010 1.00 0.00 C ATOM 786 O VAL A 50 -6.631 3.084 7.861 1.00 0.00 O ATOM 787 CB VAL A 50 -9.130 1.700 9.262 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.658 0.310 9.584 1.00 0.00 C ATOM 789 CG2 VAL A 50 -9.938 2.765 9.987 1.00 0.00 C ATOM 0 H VAL A 50 -8.292 1.637 11.612 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.107 0.948 9.224 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.235 1.864 8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.714 0.251 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.099 -0.432 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.540 0.114 10.650 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.990 2.671 9.716 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.828 2.635 11.064 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.577 3.753 9.702 1.00 0.00 H new ATOM 799 N LYS A 51 -7.077 4.166 9.781 1.00 0.00 N ATOM 800 CA LYS A 51 -6.559 5.445 9.309 1.00 0.00 C ATOM 801 C LYS A 51 -5.041 5.394 9.147 1.00 0.00 C ATOM 802 O LYS A 51 -4.492 5.916 8.177 1.00 0.00 O ATOM 803 CB LYS A 51 -6.940 6.564 10.281 1.00 0.00 C ATOM 804 CG LYS A 51 -8.401 6.535 10.700 1.00 0.00 C ATOM 805 CD LYS A 51 -9.328 6.579 9.496 1.00 0.00 C ATOM 806 CE LYS A 51 -10.788 6.576 9.916 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.106 7.706 10.833 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.436 4.183 10.735 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.004 5.650 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.314 6.490 11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.723 7.526 9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.597 5.632 11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.610 7.383 11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.120 7.473 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.132 5.721 8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.420 6.639 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.022 5.632 10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.138 7.813 10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.709 7.511 11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.693 8.584 10.458 1.00 0.00 H new ATOM 821 N LYS A 52 -4.372 4.767 10.109 1.00 0.00 N ATOM 822 CA LYS A 52 -2.917 4.649 10.084 1.00 0.00 C ATOM 823 C LYS A 52 -2.443 3.878 8.855 1.00 0.00 C ATOM 824 O LYS A 52 -1.373 4.154 8.315 1.00 0.00 O ATOM 825 CB LYS A 52 -2.421 3.956 11.354 1.00 0.00 C ATOM 826 CG LYS A 52 -2.514 4.826 12.598 1.00 0.00 C ATOM 827 CD LYS A 52 -1.494 5.955 12.568 1.00 0.00 C ATOM 828 CE LYS A 52 -2.169 7.317 12.512 1.00 0.00 C ATOM 829 NZ LYS A 52 -2.408 7.761 11.111 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.815 4.331 10.918 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.502 5.656 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.001 3.047 11.512 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.384 3.651 11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.518 5.243 12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.353 4.213 13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.861 5.898 13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.843 5.835 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.118 7.274 13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.548 8.051 13.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.460 8.799 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.628 7.435 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.304 7.359 10.767 1.00 0.00 H new ATOM 843 N VAL A 53 -3.239 2.904 8.428 1.00 0.00 N ATOM 844 CA VAL A 53 -2.899 2.082 7.270 1.00 0.00 C ATOM 845 C VAL A 53 -2.991 2.872 5.967 1.00 0.00 C ATOM 846 O VAL A 53 -2.175 2.689 5.070 1.00 0.00 O ATOM 847 CB VAL A 53 -3.816 0.845 7.177 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.468 -0.003 5.960 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.728 0.022 8.454 1.00 0.00 C ATOM 0 H VAL A 53 -4.127 2.663 8.867 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.868 1.758 7.410 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.843 1.190 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.129 -0.868 5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.591 0.592 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.434 -0.340 6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.381 -0.847 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.700 -0.309 8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.040 0.632 9.302 1.00 0.00 H new ATOM 859 N GLU A 54 -3.994 3.737 5.861 1.00 0.00 N ATOM 860 CA GLU A 54 -4.188 4.538 4.655 1.00 0.00 C ATOM 861 C GLU A 54 -2.999 5.462 4.404 1.00 0.00 C ATOM 862 O GLU A 54 -2.615 5.693 3.261 1.00 0.00 O ATOM 863 CB GLU A 54 -5.473 5.360 4.764 1.00 0.00 C ATOM 864 CG GLU A 54 -6.730 4.570 4.440 1.00 0.00 C ATOM 865 CD GLU A 54 -7.950 5.455 4.281 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.353 6.095 5.275 1.00 0.00 O ATOM 867 OE2 GLU A 54 -8.504 5.508 3.163 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.685 3.902 6.593 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.270 3.853 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.555 5.758 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.407 6.214 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.573 4.005 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.913 3.844 5.232 1.00 0.00 H new ATOM 874 N GLU A 55 -2.425 5.988 5.477 1.00 0.00 N ATOM 875 CA GLU A 55 -1.277 6.885 5.374 1.00 0.00 C ATOM 876 C GLU A 55 -0.030 6.127 4.925 1.00 0.00 C ATOM 877 O GLU A 55 0.802 6.653 4.185 1.00 0.00 O ATOM 878 CB GLU A 55 -1.018 7.571 6.716 1.00 0.00 C ATOM 879 CG GLU A 55 -2.190 8.402 7.211 1.00 0.00 C ATOM 880 CD GLU A 55 -1.750 9.680 7.897 1.00 0.00 C ATOM 881 OE1 GLU A 55 -0.695 9.663 8.565 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.461 10.699 7.766 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.735 5.810 6.432 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.506 7.643 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.780 6.813 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.142 8.213 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.836 8.650 6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.785 7.808 7.905 1.00 0.00 H new ATOM 889 N GLU A 56 0.096 4.895 5.401 1.00 0.00 N ATOM 890 CA GLU A 56 1.241 4.046 5.087 1.00 0.00 C ATOM 891 C GLU A 56 1.390 3.817 3.583 1.00 0.00 C ATOM 892 O GLU A 56 2.495 3.879 3.046 1.00 0.00 O ATOM 893 CB GLU A 56 1.087 2.702 5.802 1.00 0.00 C ATOM 894 CG GLU A 56 1.808 2.633 7.135 1.00 0.00 C ATOM 895 CD GLU A 56 3.294 2.376 6.983 1.00 0.00 C ATOM 896 OE1 GLU A 56 4.042 3.345 6.733 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.711 1.206 7.113 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.590 4.456 6.014 1.00 0.00 H new ATOM 0 HA GLU A 56 2.141 4.556 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.027 2.505 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.464 1.911 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.658 3.569 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.367 1.842 7.742 1.00 0.00 H new ATOM 904 N VAL A 57 0.280 3.539 2.914 1.00 0.00 N ATOM 905 CA VAL A 57 0.293 3.286 1.478 1.00 0.00 C ATOM 906 C VAL A 57 0.561 4.563 0.682 1.00 0.00 C ATOM 907 O VAL A 57 1.217 4.531 -0.358 1.00 0.00 O ATOM 908 CB VAL A 57 -1.033 2.644 1.007 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.115 3.694 0.790 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.808 1.833 -0.261 1.00 0.00 C ATOM 0 H VAL A 57 -0.644 3.483 3.343 1.00 0.00 H new ATOM 0 HA VAL A 57 1.107 2.586 1.290 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.379 1.974 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.033 3.208 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.301 4.223 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.786 4.403 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.750 1.387 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.430 2.486 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.082 1.044 -0.064 1.00 0.00 H new ATOM 920 N LYS A 58 0.039 5.682 1.174 1.00 0.00 N ATOM 921 CA LYS A 58 0.210 6.969 0.506 1.00 0.00 C ATOM 922 C LYS A 58 1.686 7.281 0.270 1.00 0.00 C ATOM 923 O LYS A 58 2.044 7.905 -0.726 1.00 0.00 O ATOM 924 CB LYS A 58 -0.434 8.084 1.334 1.00 0.00 C ATOM 925 CG LYS A 58 -1.450 8.908 0.560 1.00 0.00 C ATOM 926 CD LYS A 58 -0.853 10.220 0.078 1.00 0.00 C ATOM 927 CE LYS A 58 -0.942 11.298 1.146 1.00 0.00 C ATOM 928 NZ LYS A 58 -0.035 12.444 0.856 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.507 5.724 2.034 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.283 6.910 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.922 7.644 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.348 8.745 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.809 8.335 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.314 9.111 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.190 10.066 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.376 10.551 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.969 11.656 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.688 10.870 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.125 13.157 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.948 12.107 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.294 12.869 -0.057 1.00 0.00 H new ATOM 942 N LYS A 59 2.537 6.850 1.193 1.00 0.00 N ATOM 943 CA LYS A 59 3.972 7.086 1.078 1.00 0.00 C ATOM 944 C LYS A 59 4.577 6.287 -0.079 1.00 0.00 C ATOM 945 O LYS A 59 5.479 6.761 -0.767 1.00 0.00 O ATOM 946 CB LYS A 59 4.680 6.747 2.397 1.00 0.00 C ATOM 947 CG LYS A 59 4.958 5.264 2.596 1.00 0.00 C ATOM 948 CD LYS A 59 4.841 4.867 4.059 1.00 0.00 C ATOM 949 CE LYS A 59 6.137 5.124 4.812 1.00 0.00 C ATOM 950 NZ LYS A 59 6.091 6.401 5.577 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.259 6.336 2.029 1.00 0.00 H new ATOM 0 HA LYS A 59 4.121 8.145 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.624 7.290 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.069 7.105 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.257 4.678 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.958 5.028 2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.031 5.427 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.581 3.811 4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.329 4.298 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.967 5.153 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.993 6.539 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.933 7.193 4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.315 6.364 6.268 1.00 0.00 H new ATOM 964 N LEU A 60 4.087 5.064 -0.269 1.00 0.00 N ATOM 965 CA LEU A 60 4.589 4.182 -1.322 1.00 0.00 C ATOM 966 C LEU A 60 4.424 4.790 -2.714 1.00 0.00 C ATOM 967 O LEU A 60 5.342 4.741 -3.532 1.00 0.00 O ATOM 968 CB LEU A 60 3.864 2.836 -1.261 1.00 0.00 C ATOM 969 CG LEU A 60 4.722 1.617 -1.602 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.100 1.626 -3.075 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.968 1.583 -0.730 1.00 0.00 C ATOM 0 H LEU A 60 3.340 4.659 0.295 1.00 0.00 H new ATOM 0 HA LEU A 60 5.656 4.042 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.458 2.705 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.017 2.867 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 60 4.139 0.718 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.710 0.751 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.196 1.603 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.665 2.530 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.567 0.709 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.554 2.487 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.677 1.529 0.319 1.00 0.00 H new ATOM 983 N GLU A 61 3.251 5.352 -2.985 1.00 0.00 N ATOM 984 CA GLU A 61 2.977 5.953 -4.288 1.00 0.00 C ATOM 985 C GLU A 61 3.800 7.220 -4.499 1.00 0.00 C ATOM 986 O GLU A 61 4.204 7.528 -5.619 1.00 0.00 O ATOM 987 CB GLU A 61 1.482 6.257 -4.443 1.00 0.00 C ATOM 988 CG GLU A 61 0.906 7.118 -3.331 1.00 0.00 C ATOM 989 CD GLU A 61 1.233 8.589 -3.499 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.703 8.974 -4.591 1.00 0.00 O ATOM 991 OE2 GLU A 61 1.015 9.358 -2.539 1.00 0.00 O1- ATOM 0 H GLU A 61 2.476 5.405 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 61 3.267 5.231 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.321 6.759 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.933 5.316 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.176 6.992 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.292 6.772 -2.372 1.00 0.00 H new ATOM 998 N GLU A 62 4.042 7.952 -3.417 1.00 0.00 N ATOM 999 CA GLU A 62 4.816 9.188 -3.483 1.00 0.00 C ATOM 1000 C GLU A 62 6.206 8.927 -4.050 1.00 0.00 C ATOM 1001 O GLU A 62 6.741 9.736 -4.807 1.00 0.00 O ATOM 1002 CB GLU A 62 4.929 9.818 -2.094 1.00 0.00 C ATOM 1003 CG GLU A 62 3.633 10.443 -1.604 1.00 0.00 C ATOM 1004 CD GLU A 62 3.820 11.860 -1.097 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.720 12.076 -0.258 1.00 0.00 O ATOM 1006 OE2 GLU A 62 3.067 12.752 -1.539 1.00 0.00 O1- ATOM 0 H GLU A 62 3.713 7.711 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 62 4.296 9.879 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.247 9.056 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.707 10.581 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.906 10.445 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.217 9.828 -0.806 1.00 0.00 H new ATOM 1013 N GLU A 63 6.779 7.786 -3.685 1.00 0.00 N ATOM 1014 CA GLU A 63 8.102 7.411 -4.165 1.00 0.00 C ATOM 1015 C GLU A 63 8.057 7.130 -5.660 1.00 0.00 C ATOM 1016 O GLU A 63 9.023 7.379 -6.381 1.00 0.00 O ATOM 1017 CB GLU A 63 8.617 6.178 -3.418 1.00 0.00 C ATOM 1018 CG GLU A 63 8.455 6.267 -1.911 1.00 0.00 C ATOM 1019 CD GLU A 63 9.529 7.114 -1.256 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.107 7.978 -1.948 1.00 0.00 O ATOM 1021 OE2 GLU A 63 9.791 6.914 -0.052 1.00 0.00 O1- ATOM 0 H GLU A 63 6.348 7.106 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 63 8.783 8.241 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.087 5.297 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.672 6.035 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.476 6.686 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.481 5.263 -1.487 1.00 0.00 H new ATOM 1028 N ILE A 64 6.923 6.610 -6.115 1.00 0.00 N ATOM 1029 CA ILE A 64 6.740 6.291 -7.526 1.00 0.00 C ATOM 1030 C ILE A 64 6.818 7.548 -8.389 1.00 0.00 C ATOM 1031 O ILE A 64 7.281 7.503 -9.528 1.00 0.00 O ATOM 1032 CB ILE A 64 5.391 5.589 -7.776 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.246 4.376 -6.855 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.271 5.171 -9.235 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.952 3.616 -7.050 1.00 0.00 C ATOM 0 H ILE A 64 6.116 6.400 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 64 7.547 5.613 -7.804 1.00 0.00 H new ATOM 0 HB ILE A 64 4.587 6.290 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.084 3.700 -7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.310 4.708 -5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.313 4.677 -9.394 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.335 6.053 -9.873 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.079 4.484 -9.484 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.920 2.770 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.108 4.277 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.894 3.253 -8.076 1.00 0.00 H new ATOM 1047 N LYS A 65 6.363 8.669 -7.838 1.00 0.00 N ATOM 1048 CA LYS A 65 6.384 9.936 -8.560 1.00 0.00 C ATOM 1049 C LYS A 65 7.806 10.477 -8.661 1.00 0.00 C ATOM 1050 O LYS A 65 8.191 11.055 -9.677 1.00 0.00 O ATOM 1051 CB LYS A 65 5.483 10.959 -7.865 1.00 0.00 C ATOM 1052 CG LYS A 65 3.999 10.675 -8.035 1.00 0.00 C ATOM 1053 CD LYS A 65 3.552 10.888 -9.473 1.00 0.00 C ATOM 1054 CE LYS A 65 2.892 12.245 -9.656 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.866 12.222 -10.735 1.00 0.00 N1+ ATOM 0 H LYS A 65 5.976 8.726 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 65 6.008 9.760 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.722 10.978 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.702 11.951 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.787 9.649 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.425 11.325 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.412 10.808 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.854 10.101 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.427 12.552 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.652 12.989 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.439 13.166 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.314 11.954 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.127 11.530 -10.497 1.00 0.00 H new ATOM 1069 N LYS A 66 8.582 10.282 -7.600 1.00 0.00 N ATOM 1070 CA LYS A 66 9.964 10.746 -7.569 1.00 0.00 C ATOM 1071 C LYS A 66 10.812 10.005 -8.598 1.00 0.00 C ATOM 1072 O LYS A 66 11.840 10.510 -9.048 1.00 0.00 O ATOM 1073 CB LYS A 66 10.557 10.554 -6.172 1.00 0.00 C ATOM 1074 CG LYS A 66 10.196 11.665 -5.199 1.00 0.00 C ATOM 1075 CD LYS A 66 11.331 11.944 -4.225 1.00 0.00 C ATOM 1076 CE LYS A 66 10.834 12.008 -2.790 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.783 11.359 -1.844 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.278 9.806 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 66 9.969 11.807 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.212 9.602 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.642 10.492 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.960 12.573 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.299 11.388 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.088 11.164 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.812 12.887 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.690 13.049 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.862 11.520 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.407 11.424 -0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.902 10.359 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.704 11.840 -1.891 1.00 0.00 H new ATOM 1091 N LEU A 67 10.376 8.803 -8.965 1.00 0.00 N ATOM 1092 CA LEU A 67 11.098 7.994 -9.939 1.00 0.00 C ATOM 1093 C LEU A 67 10.411 8.040 -11.301 1.00 0.00 C ATOM 1094 O LEU A 67 11.089 7.770 -12.315 1.00 0.00 O ATOM 1095 CB LEU A 67 11.218 6.547 -9.441 1.00 0.00 C ATOM 1096 CG LEU A 67 10.010 5.645 -9.717 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.040 5.127 -11.149 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.971 4.485 -8.731 1.00 0.00 C ATOM 1099 OXT LEU A 67 9.200 8.343 -11.342 1.00 0.00 O ATOM 0 H LEU A 67 9.527 8.369 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 67 12.100 8.407 -10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.097 6.096 -9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.395 6.566 -8.366 1.00 0.00 H new ATOM 0 HG LEU A 67 9.105 6.239 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.174 4.489 -11.323 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.016 5.969 -11.841 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.952 4.552 -11.309 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.106 3.856 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.882 3.894 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.897 4.873 -7.715 1.00 0.00 H new TER 1111 LEU A 67