USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 577 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 Set 1.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -156:sc= -0.0128 (180deg=-0.396) USER MOD Single : A 2 SER OG : rot 22:sc= 0.616 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= -0.0581 (180deg=-0.0581) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= -0.57 (180deg=-0.732) USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= 0.562 (180deg=-0.591) 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 142:sc= -10.1! USER MOD Single : A 38 LYS NZ :NH3+ -132:sc= 0 (180deg=-1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0415) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -16.313 -4.913 6.390 1.00 0.00 N ATOM 11 CA SER A 2 -16.732 -4.018 5.315 1.00 0.00 C ATOM 12 C SER A 2 -15.755 -2.856 5.161 1.00 0.00 C ATOM 13 O SER A 2 -15.048 -2.756 4.159 1.00 0.00 O ATOM 14 CB SER A 2 -18.141 -3.483 5.580 1.00 0.00 C ATOM 15 OG SER A 2 -18.893 -4.392 6.366 1.00 0.00 O ATOM 0 HA SER A 2 -16.739 -4.590 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.078 -2.522 6.090 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.651 -3.308 4.633 1.00 0.00 H new ATOM 0 HG SER A 2 -18.283 -4.980 6.859 1.00 0.00 H new ATOM 21 N ARG A 3 -15.722 -1.980 6.160 1.00 0.00 N ATOM 22 CA ARG A 3 -14.833 -0.825 6.134 1.00 0.00 C ATOM 23 C ARG A 3 -13.374 -1.260 6.036 1.00 0.00 C ATOM 24 O ARG A 3 -12.584 -0.655 5.313 1.00 0.00 O ATOM 25 CB ARG A 3 -15.042 0.032 7.384 1.00 0.00 C ATOM 26 CG ARG A 3 -14.928 -0.748 8.683 1.00 0.00 C ATOM 27 CD ARG A 3 -13.570 -0.546 9.335 1.00 0.00 C ATOM 28 NE ARG A 3 -13.514 0.691 10.109 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.098 0.853 11.293 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.784 -0.141 11.844 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.997 2.011 11.930 1.00 0.00 N ATOM 0 H ARG A 3 -16.301 -2.048 6.997 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.073 -0.232 5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.308 0.838 7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.026 0.497 7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.713 -0.431 9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.085 -1.809 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.351 -1.392 9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.798 -0.528 8.566 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.996 1.478 9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.865 -1.035 11.359 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.230 -0.011 12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.471 2.779 11.512 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.445 2.134 12.838 1.00 0.00 H new ATOM 45 N VAL A 4 -13.025 -2.315 6.765 1.00 0.00 N ATOM 46 CA VAL A 4 -11.661 -2.832 6.756 1.00 0.00 C ATOM 47 C VAL A 4 -11.350 -3.529 5.436 1.00 0.00 C ATOM 48 O VAL A 4 -10.288 -3.320 4.849 1.00 0.00 O ATOM 49 CB VAL A 4 -11.427 -3.820 7.915 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.974 -4.269 7.952 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.832 -3.195 9.241 1.00 0.00 C ATOM 0 H VAL A 4 -13.667 -2.828 7.369 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.996 -1.977 6.879 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.050 -4.699 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.830 -4.966 8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.721 -4.761 7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.329 -3.402 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.659 -3.908 10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.238 -2.298 9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.889 -2.930 9.211 1.00 0.00 H new ATOM 61 N LYS A 5 -12.280 -4.358 4.972 1.00 0.00 N ATOM 62 CA LYS A 5 -12.096 -5.081 3.719 1.00 0.00 C ATOM 63 C LYS A 5 -11.929 -4.107 2.560 1.00 0.00 C ATOM 64 O LYS A 5 -11.053 -4.280 1.717 1.00 0.00 O ATOM 65 CB LYS A 5 -13.278 -6.017 3.456 1.00 0.00 C ATOM 66 CG LYS A 5 -13.295 -6.604 2.051 1.00 0.00 C ATOM 67 CD LYS A 5 -11.963 -7.248 1.701 1.00 0.00 C ATOM 68 CE LYS A 5 -12.146 -8.441 0.777 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.071 -9.455 0.960 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.165 -4.545 5.443 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.191 -5.682 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.253 -6.832 4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.206 -5.471 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.090 -7.346 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.521 -5.819 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.317 -6.512 1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.461 -7.568 2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.116 -8.902 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.152 -8.101 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.232 -10.252 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.148 -9.023 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.082 -9.799 1.941 1.00 0.00 H new ATOM 83 N ALA A 6 -12.769 -3.079 2.529 1.00 0.00 N ATOM 84 CA ALA A 6 -12.704 -2.073 1.476 1.00 0.00 C ATOM 85 C ALA A 6 -11.318 -1.444 1.431 1.00 0.00 C ATOM 86 O ALA A 6 -10.801 -1.117 0.363 1.00 0.00 O ATOM 87 CB ALA A 6 -13.768 -1.010 1.694 1.00 0.00 C ATOM 0 H ALA A 6 -13.502 -2.920 3.220 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.894 -2.557 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.707 -0.266 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.754 -1.474 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.607 -0.526 2.658 1.00 0.00 H new ATOM 93 N LEU A 7 -10.723 -1.287 2.606 1.00 0.00 N ATOM 94 CA LEU A 7 -9.393 -0.707 2.733 1.00 0.00 C ATOM 95 C LEU A 7 -8.374 -1.523 1.944 1.00 0.00 C ATOM 96 O LEU A 7 -7.489 -0.972 1.289 1.00 0.00 O ATOM 97 CB LEU A 7 -8.995 -0.667 4.208 1.00 0.00 C ATOM 98 CG LEU A 7 -8.268 0.597 4.657 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.930 0.727 3.946 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.129 1.826 4.410 1.00 0.00 C ATOM 0 H LEU A 7 -11.146 -1.557 3.494 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.410 0.306 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.895 -0.782 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.358 -1.526 4.418 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.079 0.521 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.427 1.635 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.309 -0.138 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.093 0.778 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.593 2.717 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.352 1.906 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.060 1.737 4.970 1.00 0.00 H new ATOM 112 N GLU A 8 -8.506 -2.840 2.021 1.00 0.00 N ATOM 113 CA GLU A 8 -7.603 -3.752 1.327 1.00 0.00 C ATOM 114 C GLU A 8 -7.737 -3.628 -0.192 1.00 0.00 C ATOM 115 O GLU A 8 -6.775 -3.838 -0.927 1.00 0.00 O ATOM 116 CB GLU A 8 -7.871 -5.197 1.776 1.00 0.00 C ATOM 117 CG GLU A 8 -8.830 -5.971 0.879 1.00 0.00 C ATOM 118 CD GLU A 8 -8.134 -6.591 -0.318 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.014 -7.116 -0.147 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.709 -6.550 -1.426 1.00 0.00 O ATOM 0 H GLU A 8 -9.235 -3.305 2.561 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.580 -3.480 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.922 -5.732 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.274 -5.180 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.313 -6.756 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.617 -5.302 0.531 1.00 0.00 H new ATOM 127 N GLU A 9 -8.942 -3.309 -0.652 1.00 0.00 N ATOM 128 CA GLU A 9 -9.217 -3.180 -2.081 1.00 0.00 C ATOM 129 C GLU A 9 -8.488 -1.992 -2.707 1.00 0.00 C ATOM 130 O GLU A 9 -8.050 -2.064 -3.854 1.00 0.00 O ATOM 131 CB GLU A 9 -10.722 -3.044 -2.317 1.00 0.00 C ATOM 132 CG GLU A 9 -11.453 -4.375 -2.365 1.00 0.00 C ATOM 133 CD GLU A 9 -11.818 -4.789 -3.778 1.00 0.00 C ATOM 134 OE1 GLU A 9 -12.472 -3.989 -4.480 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -11.451 -5.912 -4.181 1.00 0.00 O ATOM 0 H GLU A 9 -9.749 -3.134 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.846 -4.085 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.152 -2.431 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.888 -2.514 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.827 -5.146 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.360 -4.309 -1.764 1.00 0.00 H new ATOM 142 N LYS A 10 -8.381 -0.894 -1.966 1.00 0.00 N ATOM 143 CA LYS A 10 -7.725 0.311 -2.472 1.00 0.00 C ATOM 144 C LYS A 10 -6.206 0.146 -2.568 1.00 0.00 C ATOM 145 O LYS A 10 -5.571 0.700 -3.465 1.00 0.00 O ATOM 146 CB LYS A 10 -8.064 1.513 -1.584 1.00 0.00 C ATOM 147 CG LYS A 10 -7.616 1.359 -0.140 1.00 0.00 C ATOM 148 CD LYS A 10 -7.141 2.682 0.440 1.00 0.00 C ATOM 149 CE LYS A 10 -8.309 3.571 0.831 1.00 0.00 C ATOM 150 NZ LYS A 10 -8.593 4.603 -0.204 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.739 -0.812 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.102 0.483 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.600 2.405 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.142 1.675 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.441 0.973 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.811 0.626 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.517 2.494 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.519 3.198 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.197 2.957 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.091 4.060 1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.397 5.189 0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.755 5.205 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.826 4.137 -1.104 1.00 0.00 H new ATOM 164 N VAL A 11 -5.630 -0.597 -1.631 1.00 0.00 N ATOM 165 CA VAL A 11 -4.183 -0.811 -1.598 1.00 0.00 C ATOM 166 C VAL A 11 -3.690 -1.642 -2.784 1.00 0.00 C ATOM 167 O VAL A 11 -2.642 -1.354 -3.362 1.00 0.00 O ATOM 168 CB VAL A 11 -3.767 -1.513 -0.290 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.252 -1.592 -0.176 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.361 -0.796 0.913 1.00 0.00 C ATOM 0 H VAL A 11 -6.141 -1.063 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.724 0.176 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.157 -2.531 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.983 -2.091 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.853 -2.156 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.834 -0.585 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.057 -1.306 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.004 0.234 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.448 -0.802 0.839 1.00 0.00 H new ATOM 180 N LYS A 12 -4.442 -2.679 -3.128 1.00 0.00 N ATOM 181 CA LYS A 12 -4.081 -3.564 -4.230 1.00 0.00 C ATOM 182 C LYS A 12 -4.210 -2.867 -5.573 1.00 0.00 C ATOM 183 O LYS A 12 -3.397 -3.079 -6.473 1.00 0.00 O ATOM 184 CB LYS A 12 -4.941 -4.829 -4.205 1.00 0.00 C ATOM 185 CG LYS A 12 -4.126 -6.112 -4.244 1.00 0.00 C ATOM 186 CD LYS A 12 -4.029 -6.753 -2.868 1.00 0.00 C ATOM 187 CE LYS A 12 -5.005 -7.909 -2.720 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.402 -9.055 -1.986 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.311 -2.930 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.036 -3.843 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.555 -4.824 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.622 -4.814 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.583 -6.814 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.125 -5.897 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.013 -7.111 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.232 -6.004 -2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.895 -7.567 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.328 -8.240 -3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.100 -9.822 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.568 -9.398 -2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.117 -8.747 -1.035 1.00 0.00 H new ATOM 202 N ALA A 13 -5.233 -2.035 -5.709 1.00 0.00 N ATOM 203 CA ALA A 13 -5.453 -1.313 -6.950 1.00 0.00 C ATOM 204 C ALA A 13 -4.217 -0.503 -7.299 1.00 0.00 C ATOM 205 O ALA A 13 -3.844 -0.384 -8.466 1.00 0.00 O ATOM 206 CB ALA A 13 -6.671 -0.408 -6.833 1.00 0.00 C ATOM 0 H ALA A 13 -5.919 -1.845 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.641 -2.031 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.820 0.125 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.552 -1.011 -6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.514 0.311 -6.029 1.00 0.00 H new ATOM 212 N LEU A 14 -3.567 0.027 -6.271 1.00 0.00 N ATOM 213 CA LEU A 14 -2.345 0.799 -6.469 1.00 0.00 C ATOM 214 C LEU A 14 -1.202 -0.118 -6.886 1.00 0.00 C ATOM 215 O LEU A 14 -0.300 0.288 -7.610 1.00 0.00 O ATOM 216 CB LEU A 14 -1.966 1.562 -5.201 1.00 0.00 C ATOM 217 CG LEU A 14 -1.166 2.843 -5.446 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.438 3.862 -4.353 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.322 2.535 -5.539 1.00 0.00 C ATOM 0 H LEU A 14 -3.862 -0.062 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.529 1.523 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.877 1.816 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.384 0.903 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.486 3.271 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.860 4.766 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.500 4.107 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.150 3.446 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.874 3.458 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.659 2.081 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.500 1.845 -6.363 1.00 0.00 H new ATOM 231 N GLU A 15 -1.251 -1.356 -6.407 1.00 0.00 N ATOM 232 CA GLU A 15 -0.226 -2.351 -6.708 1.00 0.00 C ATOM 233 C GLU A 15 0.018 -2.486 -8.210 1.00 0.00 C ATOM 234 O GLU A 15 1.150 -2.670 -8.650 1.00 0.00 O ATOM 235 CB GLU A 15 -0.639 -3.705 -6.129 1.00 0.00 C ATOM 236 CG GLU A 15 0.490 -4.716 -6.095 1.00 0.00 C ATOM 237 CD GLU A 15 0.042 -6.106 -6.502 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.731 -6.219 -7.477 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.464 -7.082 -5.848 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.998 -1.698 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 15 0.705 -2.016 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.016 -3.559 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.461 -4.109 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.288 -4.386 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.909 -4.753 -5.089 1.00 0.00 H new ATOM 246 N GLU A 16 -1.057 -2.414 -8.983 1.00 0.00 N ATOM 247 CA GLU A 16 -0.984 -2.547 -10.438 1.00 0.00 C ATOM 248 C GLU A 16 -0.177 -1.419 -11.064 1.00 0.00 C ATOM 249 O GLU A 16 0.555 -1.632 -12.028 1.00 0.00 O ATOM 250 CB GLU A 16 -2.391 -2.569 -11.035 1.00 0.00 C ATOM 251 CG GLU A 16 -3.012 -3.955 -11.077 1.00 0.00 C ATOM 252 CD GLU A 16 -4.142 -4.059 -12.082 1.00 0.00 C ATOM 253 OE1 GLU A 16 -3.931 -3.679 -13.253 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.238 -4.520 -11.699 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.000 -2.263 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.478 -3.487 -10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.034 -1.909 -10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.354 -2.166 -12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.242 -4.686 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.388 -4.211 -10.086 1.00 0.00 H new ATOM 261 N LYS A 17 -0.320 -0.219 -10.520 1.00 0.00 N ATOM 262 CA LYS A 17 0.396 0.940 -11.034 1.00 0.00 C ATOM 263 C LYS A 17 1.899 0.812 -10.784 1.00 0.00 C ATOM 264 O LYS A 17 2.712 1.334 -11.548 1.00 0.00 O ATOM 265 CB LYS A 17 -0.153 2.236 -10.417 1.00 0.00 C ATOM 266 CG LYS A 17 0.295 2.493 -8.986 1.00 0.00 C ATOM 267 CD LYS A 17 0.892 3.882 -8.829 1.00 0.00 C ATOM 268 CE LYS A 17 2.143 4.049 -9.676 1.00 0.00 C ATOM 269 NZ LYS A 17 2.312 5.452 -10.148 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.925 -0.022 -9.723 1.00 0.00 H new ATOM 0 HA LYS A 17 0.239 0.983 -12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.155 3.078 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.242 2.203 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.555 2.383 -8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.032 1.744 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.154 4.631 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.134 4.059 -7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.017 3.754 -9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.091 3.381 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.176 5.523 -10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.490 5.726 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.387 6.087 -9.328 1.00 0.00 H new ATOM 283 N VAL A 18 2.260 0.126 -9.702 1.00 0.00 N ATOM 284 CA VAL A 18 3.665 -0.055 -9.343 1.00 0.00 C ATOM 285 C VAL A 18 4.401 -0.937 -10.350 1.00 0.00 C ATOM 286 O VAL A 18 5.505 -0.608 -10.783 1.00 0.00 O ATOM 287 CB VAL A 18 3.807 -0.676 -7.941 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.262 -0.673 -7.497 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.935 0.065 -6.938 1.00 0.00 C ATOM 0 H VAL A 18 1.601 -0.313 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 18 4.114 0.938 -9.349 1.00 0.00 H new ATOM 0 HB VAL A 18 3.469 -1.711 -7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.340 -1.116 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.858 -1.253 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.631 0.352 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.048 -0.388 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.239 1.111 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.892 0.004 -7.248 1.00 0.00 H new ATOM 299 N LYS A 19 3.788 -2.055 -10.718 1.00 0.00 N ATOM 300 CA LYS A 19 4.390 -2.980 -11.673 1.00 0.00 C ATOM 301 C LYS A 19 4.412 -2.380 -13.076 1.00 0.00 C ATOM 302 O LYS A 19 5.213 -2.779 -13.921 1.00 0.00 O ATOM 303 CB LYS A 19 3.622 -4.303 -11.685 1.00 0.00 C ATOM 304 CG LYS A 19 2.122 -4.135 -11.862 1.00 0.00 C ATOM 305 CD LYS A 19 1.468 -5.425 -12.329 1.00 0.00 C ATOM 306 CE LYS A 19 1.265 -6.396 -11.177 1.00 0.00 C ATOM 307 NZ LYS A 19 0.221 -5.921 -10.227 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.874 -2.344 -10.370 1.00 0.00 H new ATOM 0 HA LYS A 19 5.418 -3.165 -11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.006 -4.929 -12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.812 -4.832 -10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.676 -3.821 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.926 -3.344 -12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.506 -5.200 -12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.088 -5.892 -13.095 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.981 -7.372 -11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.207 -6.529 -10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.053 -6.649 -9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.542 -5.045 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.662 -5.737 -10.745 1.00 0.00 H new ATOM 321 N ALA A 20 3.524 -1.421 -13.315 1.00 0.00 N ATOM 322 CA ALA A 20 3.433 -0.766 -14.610 1.00 0.00 C ATOM 323 C ALA A 20 4.377 0.433 -14.701 1.00 0.00 C ATOM 324 O ALA A 20 4.595 0.979 -15.782 1.00 0.00 O ATOM 325 CB ALA A 20 1.996 -0.335 -14.871 1.00 0.00 C ATOM 0 H ALA A 20 2.855 -1.081 -12.624 1.00 0.00 H new ATOM 0 HA ALA A 20 3.738 -1.481 -15.374 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.934 0.155 -15.843 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.347 -1.210 -14.864 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.677 0.359 -14.093 1.00 0.00 H new ATOM 331 N LEU A 21 4.933 0.840 -13.562 1.00 0.00 N ATOM 332 CA LEU A 21 5.850 1.974 -13.525 1.00 0.00 C ATOM 333 C LEU A 21 7.234 1.578 -14.041 1.00 0.00 C ATOM 334 O LEU A 21 7.998 2.423 -14.504 1.00 0.00 O ATOM 335 CB LEU A 21 5.940 2.537 -12.098 1.00 0.00 C ATOM 336 CG LEU A 21 7.092 2.010 -11.240 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.283 2.955 -11.316 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.644 1.826 -9.795 1.00 0.00 C ATOM 0 H LEU A 21 4.765 0.402 -12.656 1.00 0.00 H new ATOM 0 HA LEU A 21 5.461 2.752 -14.182 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.027 3.622 -12.162 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.003 2.322 -11.584 1.00 0.00 H new ATOM 0 HG LEU A 21 7.396 1.038 -11.628 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.095 2.567 -10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.618 3.036 -12.350 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.990 3.940 -10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.477 1.451 -9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.313 2.783 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.821 1.112 -9.757 1.00 0.00 H new ATOM 350 N GLY A 22 7.547 0.288 -13.958 1.00 0.00 N ATOM 351 CA GLY A 22 8.835 -0.193 -14.422 1.00 0.00 C ATOM 352 C GLY A 22 9.325 -1.393 -13.635 1.00 0.00 C ATOM 353 O GLY A 22 10.367 -1.332 -12.982 1.00 0.00 O ATOM 0 H GLY A 22 6.932 -0.432 -13.578 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.761 -0.460 -15.476 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.568 0.610 -14.347 1.00 0.00 H new ATOM 357 N GLY A 23 8.572 -2.488 -13.695 1.00 0.00 N ATOM 358 CA GLY A 23 8.949 -3.692 -12.976 1.00 0.00 C ATOM 359 C GLY A 23 10.379 -4.120 -13.256 1.00 0.00 C ATOM 360 O GLY A 23 10.662 -4.721 -14.293 1.00 0.00 O ATOM 0 H GLY A 23 7.706 -2.563 -14.230 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.828 -3.524 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.272 -4.501 -13.250 1.00 0.00 H new ATOM 364 N GLY A 24 11.278 -3.811 -12.328 1.00 0.00 N ATOM 365 CA GLY A 24 12.673 -4.175 -12.497 1.00 0.00 C ATOM 366 C GLY A 24 13.617 -3.186 -11.840 1.00 0.00 C ATOM 367 O GLY A 24 13.805 -2.075 -12.336 1.00 0.00 O ATOM 0 H GLY A 24 11.066 -3.315 -11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.840 -5.166 -12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.902 -4.239 -13.561 1.00 0.00 H new ATOM 371 N GLY A 25 14.211 -3.591 -10.721 1.00 0.00 N ATOM 372 CA GLY A 25 15.133 -2.720 -10.015 1.00 0.00 C ATOM 373 C GLY A 25 14.475 -1.994 -8.857 1.00 0.00 C ATOM 374 O GLY A 25 13.950 -2.624 -7.940 1.00 0.00 O ATOM 0 H GLY A 25 14.070 -4.505 -10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.970 -3.309 -9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.543 -1.989 -10.712 1.00 0.00 H new ATOM 378 N ARG A 26 14.504 -0.666 -8.901 1.00 0.00 N ATOM 379 CA ARG A 26 13.906 0.149 -7.848 1.00 0.00 C ATOM 380 C ARG A 26 12.430 -0.192 -7.668 1.00 0.00 C ATOM 381 O ARG A 26 11.917 -0.187 -6.553 1.00 0.00 O ATOM 382 CB ARG A 26 14.065 1.638 -8.178 1.00 0.00 C ATOM 383 CG ARG A 26 13.194 2.553 -7.327 1.00 0.00 C ATOM 384 CD ARG A 26 13.660 3.997 -7.395 1.00 0.00 C ATOM 385 NE ARG A 26 13.850 4.575 -6.067 1.00 0.00 N ATOM 386 CZ ARG A 26 14.921 4.352 -5.308 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.901 3.570 -5.744 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 15.012 4.914 -4.110 1.00 0.00 N ATOM 0 H ARG A 26 14.935 -0.131 -9.655 1.00 0.00 H new ATOM 0 HA ARG A 26 14.424 -0.067 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.110 1.920 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.823 1.795 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.160 2.488 -7.665 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.213 2.213 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.596 4.050 -7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.929 4.588 -7.946 1.00 0.00 H new ATOM 0 HE ARG A 26 13.120 5.185 -5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.836 3.136 -6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.719 3.403 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.262 5.516 -3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.832 4.744 -3.528 1.00 0.00 H new ATOM 402 N ILE A 27 11.756 -0.472 -8.777 1.00 0.00 N ATOM 403 CA ILE A 27 10.335 -0.807 -8.756 1.00 0.00 C ATOM 404 C ILE A 27 10.073 -2.147 -8.065 1.00 0.00 C ATOM 405 O ILE A 27 9.042 -2.325 -7.422 1.00 0.00 O ATOM 406 CB ILE A 27 9.750 -0.849 -10.185 1.00 0.00 C ATOM 407 CG1 ILE A 27 9.864 0.525 -10.845 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.295 -1.298 -10.159 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.203 0.791 -11.491 1.00 0.00 C ATOM 0 H ILE A 27 12.173 -0.474 -9.708 1.00 0.00 H new ATOM 0 HA ILE A 27 9.841 -0.020 -8.186 1.00 0.00 H new ATOM 0 HB ILE A 27 10.323 -1.570 -10.768 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.084 0.619 -11.600 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.676 1.293 -10.095 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.903 -1.320 -11.176 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.230 -2.295 -9.723 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.710 -0.601 -9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.201 1.786 -11.936 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.989 0.732 -10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.387 0.047 -12.266 1.00 0.00 H new ATOM 421 N GLU A 28 10.993 -3.093 -8.225 1.00 0.00 N ATOM 422 CA GLU A 28 10.840 -4.424 -7.636 1.00 0.00 C ATOM 423 C GLU A 28 10.796 -4.382 -6.108 1.00 0.00 C ATOM 424 O GLU A 28 10.017 -5.099 -5.482 1.00 0.00 O ATOM 425 CB GLU A 28 11.980 -5.335 -8.093 1.00 0.00 C ATOM 426 CG GLU A 28 11.902 -5.721 -9.561 1.00 0.00 C ATOM 427 CD GLU A 28 10.905 -6.834 -9.818 1.00 0.00 C ATOM 428 OE1 GLU A 28 11.007 -7.888 -9.155 1.00 0.00 O ATOM 429 OE2 GLU A 28 10.021 -6.652 -10.682 1.00 0.00 O1- ATOM 0 H GLU A 28 11.854 -2.965 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 28 9.886 -4.821 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.930 -4.834 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.974 -6.241 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.624 -4.846 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.888 -6.035 -9.903 1.00 0.00 H new ATOM 436 N GLU A 29 11.647 -3.557 -5.510 1.00 0.00 N ATOM 437 CA GLU A 29 11.714 -3.440 -4.053 1.00 0.00 C ATOM 438 C GLU A 29 10.498 -2.712 -3.479 1.00 0.00 C ATOM 439 O GLU A 29 10.008 -3.054 -2.403 1.00 0.00 O ATOM 440 CB GLU A 29 12.998 -2.717 -3.638 1.00 0.00 C ATOM 441 CG GLU A 29 13.192 -1.371 -4.319 1.00 0.00 C ATOM 442 CD GLU A 29 14.116 -0.454 -3.540 1.00 0.00 C ATOM 443 OE1 GLU A 29 13.786 -0.122 -2.382 1.00 0.00 O ATOM 444 OE2 GLU A 29 15.170 -0.069 -4.089 1.00 0.00 O1- ATOM 0 H GLU A 29 12.303 -2.957 -6.010 1.00 0.00 H new ATOM 0 HA GLU A 29 11.717 -4.451 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.988 -2.569 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.852 -3.355 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.599 -1.528 -5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.223 -0.887 -4.442 1.00 0.00 H new ATOM 451 N LEU A 30 10.041 -1.691 -4.191 1.00 0.00 N ATOM 452 CA LEU A 30 8.913 -0.881 -3.760 1.00 0.00 C ATOM 453 C LEU A 30 7.648 -1.713 -3.539 1.00 0.00 C ATOM 454 O LEU A 30 6.958 -1.550 -2.533 1.00 0.00 O ATOM 455 CB LEU A 30 8.655 0.197 -4.812 1.00 0.00 C ATOM 456 CG LEU A 30 8.451 1.610 -4.267 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.777 2.196 -3.808 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.814 2.496 -5.326 1.00 0.00 C ATOM 0 H LEU A 30 10.442 -1.402 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 30 9.164 -0.429 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.495 0.212 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.772 -0.084 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 30 7.781 1.560 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.616 3.203 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.199 1.570 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.468 2.236 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.674 3.500 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.463 2.542 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.847 2.082 -5.613 1.00 0.00 H new ATOM 470 N LYS A 31 7.344 -2.596 -4.483 1.00 0.00 N ATOM 471 CA LYS A 31 6.154 -3.439 -4.384 1.00 0.00 C ATOM 472 C LYS A 31 6.259 -4.417 -3.222 1.00 0.00 C ATOM 473 O LYS A 31 5.259 -4.736 -2.587 1.00 0.00 O ATOM 474 CB LYS A 31 5.880 -4.198 -5.687 1.00 0.00 C ATOM 475 CG LYS A 31 7.117 -4.478 -6.526 1.00 0.00 C ATOM 476 CD LYS A 31 6.977 -5.773 -7.309 1.00 0.00 C ATOM 477 CE LYS A 31 7.619 -6.940 -6.576 1.00 0.00 C ATOM 478 NZ LYS A 31 8.994 -7.222 -7.075 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.901 -2.748 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 31 5.314 -2.770 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.398 -5.145 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.173 -3.623 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.285 -3.651 -7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.992 -4.536 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.921 -5.985 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.440 -5.659 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.658 -6.721 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.000 -7.829 -6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.227 -8.221 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.041 -7.024 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.676 -6.618 -6.573 1.00 0.00 H new ATOM 492 N LYS A 32 7.469 -4.895 -2.944 1.00 0.00 N ATOM 493 CA LYS A 32 7.675 -5.839 -1.852 1.00 0.00 C ATOM 494 C LYS A 32 7.161 -5.247 -0.544 1.00 0.00 C ATOM 495 O LYS A 32 6.540 -5.939 0.263 1.00 0.00 O ATOM 496 CB LYS A 32 9.157 -6.192 -1.721 1.00 0.00 C ATOM 497 CG LYS A 32 9.689 -7.021 -2.877 1.00 0.00 C ATOM 498 CD LYS A 32 11.156 -7.371 -2.687 1.00 0.00 C ATOM 499 CE LYS A 32 11.338 -8.841 -2.348 1.00 0.00 C ATOM 500 NZ LYS A 32 11.544 -9.055 -0.888 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.315 -4.646 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 32 7.119 -6.750 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.736 -5.271 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.311 -6.740 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.105 -7.937 -2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.564 -6.469 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.708 -7.135 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.577 -6.758 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.462 -9.400 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.193 -9.237 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.664 -10.071 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.395 -8.543 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.717 -8.701 -0.365 1.00 0.00 H new ATOM 514 N LYS A 33 7.403 -3.956 -0.355 1.00 0.00 N ATOM 515 CA LYS A 33 6.945 -3.258 0.838 1.00 0.00 C ATOM 516 C LYS A 33 5.421 -3.228 0.870 1.00 0.00 C ATOM 517 O LYS A 33 4.805 -3.312 1.933 1.00 0.00 O ATOM 518 CB LYS A 33 7.501 -1.833 0.873 1.00 0.00 C ATOM 519 CG LYS A 33 7.041 -1.029 2.079 1.00 0.00 C ATOM 520 CD LYS A 33 8.194 -0.271 2.719 1.00 0.00 C ATOM 521 CE LYS A 33 8.690 -0.970 3.977 1.00 0.00 C ATOM 522 NZ LYS A 33 7.776 -0.754 5.133 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.915 -3.370 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 33 7.309 -3.792 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.590 -1.877 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.201 -1.312 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.267 -0.325 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.592 -1.698 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.012 -0.181 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.873 0.741 2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.785 -2.039 3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.685 -0.602 4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.151 -1.247 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.705 0.264 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.833 -1.128 4.905 1.00 0.00 H new ATOM 536 N TYR A 34 4.821 -3.103 -0.312 1.00 0.00 N ATOM 537 CA TYR A 34 3.369 -3.056 -0.441 1.00 0.00 C ATOM 538 C TYR A 34 2.720 -4.294 0.175 1.00 0.00 C ATOM 539 O TYR A 34 1.660 -4.201 0.790 1.00 0.00 O ATOM 540 CB TYR A 34 2.971 -2.929 -1.916 1.00 0.00 C ATOM 541 CG TYR A 34 2.172 -1.683 -2.216 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.845 -1.574 -1.824 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.747 -0.613 -2.891 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.113 -0.434 -2.093 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.020 0.530 -3.165 1.00 0.00 C ATOM 546 CZ TYR A 34 0.704 0.614 -2.764 1.00 0.00 C ATOM 547 OH TYR A 34 -0.020 1.754 -3.030 1.00 0.00 O ATOM 0 H TYR A 34 5.322 -3.032 -1.197 1.00 0.00 H new ATOM 0 HA TYR A 34 3.011 -2.181 0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.872 -2.930 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.388 -3.804 -2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.377 -2.394 -1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.778 -0.676 -3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.918 -0.365 -1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.481 1.353 -3.691 1.00 0.00 H new ATOM 0 HH TYR A 34 0.556 2.540 -2.925 1.00 0.00 H new ATOM 557 N GLU A 35 3.360 -5.449 0.012 1.00 0.00 N ATOM 558 CA GLU A 35 2.836 -6.695 0.562 1.00 0.00 C ATOM 559 C GLU A 35 2.630 -6.566 2.067 1.00 0.00 C ATOM 560 O GLU A 35 1.629 -7.031 2.613 1.00 0.00 O ATOM 561 CB GLU A 35 3.789 -7.854 0.261 1.00 0.00 C ATOM 562 CG GLU A 35 4.092 -8.023 -1.219 1.00 0.00 C ATOM 563 CD GLU A 35 3.823 -9.431 -1.714 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.704 -9.936 -1.487 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 4.732 -10.028 -2.328 1.00 0.00 O ATOM 0 H GLU A 35 4.240 -5.548 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 35 1.874 -6.901 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.724 -7.694 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.356 -8.778 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.488 -7.319 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.136 -7.771 -1.403 1.00 0.00 H new ATOM 572 N GLU A 36 3.583 -5.918 2.729 1.00 0.00 N ATOM 573 CA GLU A 36 3.513 -5.705 4.168 1.00 0.00 C ATOM 574 C GLU A 36 2.251 -4.932 4.531 1.00 0.00 C ATOM 575 O GLU A 36 1.628 -5.186 5.560 1.00 0.00 O ATOM 576 CB GLU A 36 4.750 -4.947 4.655 1.00 0.00 C ATOM 577 CG GLU A 36 4.995 -5.078 6.149 1.00 0.00 C ATOM 578 CD GLU A 36 6.280 -4.406 6.590 1.00 0.00 C ATOM 579 OE1 GLU A 36 7.235 -4.365 5.786 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 6.331 -3.919 7.739 1.00 0.00 O ATOM 0 H GLU A 36 4.417 -5.530 2.288 1.00 0.00 H new ATOM 0 HA GLU A 36 3.481 -6.678 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.625 -5.314 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.641 -3.892 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.156 -4.641 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.031 -6.134 6.416 1.00 0.00 H new ATOM 587 N LEU A 37 1.891 -3.979 3.679 1.00 0.00 N ATOM 588 CA LEU A 37 0.715 -3.148 3.894 1.00 0.00 C ATOM 589 C LEU A 37 -0.554 -3.989 3.996 1.00 0.00 C ATOM 590 O LEU A 37 -1.385 -3.770 4.876 1.00 0.00 O ATOM 591 CB LEU A 37 0.586 -2.155 2.736 1.00 0.00 C ATOM 592 CG LEU A 37 0.674 -0.680 3.113 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.679 -0.162 3.576 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.731 -0.453 4.185 1.00 0.00 C ATOM 0 H LEU A 37 2.404 -3.762 2.824 1.00 0.00 H new ATOM 0 HA LEU A 37 0.837 -2.615 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.368 -2.372 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.369 -2.327 2.239 1.00 0.00 H new ATOM 0 HG LEU A 37 0.969 -0.122 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.594 0.892 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.407 -0.277 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.007 -0.729 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.773 0.607 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.475 -1.027 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.703 -0.777 3.812 1.00 0.00 H new ATOM 606 N LYS A 38 -0.697 -4.945 3.089 1.00 0.00 N ATOM 607 CA LYS A 38 -1.867 -5.819 3.071 1.00 0.00 C ATOM 608 C LYS A 38 -2.011 -6.575 4.390 1.00 0.00 C ATOM 609 O LYS A 38 -3.117 -6.761 4.891 1.00 0.00 O ATOM 610 CB LYS A 38 -1.770 -6.812 1.911 1.00 0.00 C ATOM 611 CG LYS A 38 -1.614 -6.148 0.554 1.00 0.00 C ATOM 612 CD LYS A 38 -0.920 -7.067 -0.438 1.00 0.00 C ATOM 613 CE LYS A 38 -0.444 -6.307 -1.664 1.00 0.00 C ATOM 614 NZ LYS A 38 0.679 -7.004 -2.351 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.017 -5.137 2.353 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.750 -5.194 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.922 -7.475 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.665 -7.435 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.595 -5.869 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.041 -5.227 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.070 -7.549 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.605 -7.858 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.274 -6.184 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.124 -5.307 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.441 -6.324 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.042 -7.763 -1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.339 -7.412 -3.245 1.00 0.00 H new ATOM 628 N LYS A 39 -0.884 -7.019 4.935 1.00 0.00 N ATOM 629 CA LYS A 39 -0.870 -7.770 6.187 1.00 0.00 C ATOM 630 C LYS A 39 -1.440 -6.955 7.349 1.00 0.00 C ATOM 631 O LYS A 39 -2.112 -7.501 8.219 1.00 0.00 O ATOM 632 CB LYS A 39 0.557 -8.212 6.518 1.00 0.00 C ATOM 633 CG LYS A 39 1.107 -9.256 5.560 1.00 0.00 C ATOM 634 CD LYS A 39 2.301 -9.984 6.157 1.00 0.00 C ATOM 635 CE LYS A 39 3.457 -9.034 6.431 1.00 0.00 C ATOM 636 NZ LYS A 39 4.714 -9.483 5.771 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.039 -6.871 4.526 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.505 -8.645 6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.211 -7.340 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.579 -8.613 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.325 -9.975 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.401 -8.776 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.003 -10.473 7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.628 -10.768 5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.198 -8.036 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.618 -8.959 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.477 -8.809 5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.976 -10.425 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.568 -9.530 4.742 1.00 0.00 H new ATOM 650 N LYS A 40 -1.149 -5.657 7.367 1.00 0.00 N ATOM 651 CA LYS A 40 -1.619 -4.776 8.437 1.00 0.00 C ATOM 652 C LYS A 40 -3.143 -4.666 8.451 1.00 0.00 C ATOM 653 O LYS A 40 -3.772 -4.764 9.505 1.00 0.00 O ATOM 654 CB LYS A 40 -0.998 -3.386 8.284 1.00 0.00 C ATOM 655 CG LYS A 40 -0.504 -2.792 9.593 1.00 0.00 C ATOM 656 CD LYS A 40 0.718 -1.913 9.380 1.00 0.00 C ATOM 657 CE LYS A 40 0.328 -0.472 9.088 1.00 0.00 C ATOM 658 NZ LYS A 40 0.771 0.453 10.167 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.590 -5.190 6.653 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.307 -5.213 9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.164 -3.445 7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.736 -2.714 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.300 -2.205 10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.259 -3.595 10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.350 -1.947 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.309 -2.305 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.768 -0.162 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.754 -0.405 8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.486 1.425 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.331 0.173 11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.806 0.409 10.259 1.00 0.00 H new ATOM 672 N ILE A 41 -3.728 -4.465 7.276 1.00 0.00 N ATOM 673 CA ILE A 41 -5.178 -4.344 7.148 1.00 0.00 C ATOM 674 C ILE A 41 -5.863 -5.590 7.693 1.00 0.00 C ATOM 675 O ILE A 41 -6.941 -5.520 8.280 1.00 0.00 O ATOM 676 CB ILE A 41 -5.602 -4.128 5.679 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.855 -2.935 5.078 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.107 -3.917 5.579 1.00 0.00 C ATOM 679 CD1 ILE A 41 -5.022 -2.811 3.579 1.00 0.00 C ATOM 0 H ILE A 41 -3.220 -4.382 6.395 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.485 -3.473 7.727 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.343 -5.022 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.208 -2.019 5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.794 -3.026 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.385 -3.767 4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.624 -4.794 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.391 -3.040 6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.466 -1.944 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.642 -3.711 3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.078 -2.688 3.339 1.00 0.00 H new ATOM 691 N GLU A 42 -5.211 -6.726 7.499 1.00 0.00 N ATOM 692 CA GLU A 42 -5.722 -8.002 7.971 1.00 0.00 C ATOM 693 C GLU A 42 -5.734 -8.036 9.496 1.00 0.00 C ATOM 694 O GLU A 42 -6.599 -8.661 10.109 1.00 0.00 O ATOM 695 CB GLU A 42 -4.863 -9.145 7.423 1.00 0.00 C ATOM 696 CG GLU A 42 -5.630 -10.104 6.524 1.00 0.00 C ATOM 697 CD GLU A 42 -5.835 -11.464 7.162 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.956 -12.336 6.996 1.00 0.00 O ATOM 699 OE2 GLU A 42 -6.874 -11.658 7.828 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.317 -6.789 7.012 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.744 -8.125 7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.027 -8.725 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.439 -9.703 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.600 -9.671 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.091 -10.225 5.584 1.00 0.00 H new ATOM 706 N GLU A 43 -4.755 -7.367 10.098 1.00 0.00 N ATOM 707 CA GLU A 43 -4.635 -7.325 11.552 1.00 0.00 C ATOM 708 C GLU A 43 -5.750 -6.497 12.181 1.00 0.00 C ATOM 709 O GLU A 43 -6.402 -6.937 13.129 1.00 0.00 O ATOM 710 CB GLU A 43 -3.274 -6.755 11.955 1.00 0.00 C ATOM 711 CG GLU A 43 -2.182 -7.806 12.059 1.00 0.00 C ATOM 712 CD GLU A 43 -1.543 -7.850 13.435 1.00 0.00 C ATOM 713 OE1 GLU A 43 -2.043 -8.602 14.298 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -0.542 -7.134 13.647 1.00 0.00 O ATOM 0 H GLU A 43 -4.033 -6.846 9.601 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.723 -8.347 11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.974 -6.002 11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.371 -6.248 12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.601 -8.785 11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.414 -7.602 11.312 1.00 0.00 H new ATOM 721 N LEU A 44 -5.964 -5.295 11.656 1.00 0.00 N ATOM 722 CA LEU A 44 -7.001 -4.412 12.178 1.00 0.00 C ATOM 723 C LEU A 44 -8.390 -4.971 11.885 1.00 0.00 C ATOM 724 O LEU A 44 -8.691 -5.349 10.753 1.00 0.00 O ATOM 725 CB LEU A 44 -6.856 -3.007 11.584 1.00 0.00 C ATOM 726 CG LEU A 44 -7.314 -2.859 10.132 1.00 0.00 C ATOM 727 CD1 LEU A 44 -8.767 -2.410 10.072 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.421 -1.876 9.387 1.00 0.00 C ATOM 0 H LEU A 44 -5.436 -4.911 10.873 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.880 -4.349 13.259 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.425 -2.310 12.200 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.809 -2.709 11.649 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.235 -3.832 9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.074 -2.310 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.397 -3.149 10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.872 -1.449 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.762 -1.784 8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.468 -0.902 9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.393 -2.238 9.398 1.00 0.00 H new ATOM 740 N GLY A 45 -9.232 -5.020 12.911 1.00 0.00 N ATOM 741 CA GLY A 45 -10.578 -5.534 12.744 1.00 0.00 C ATOM 742 C GLY A 45 -11.634 -4.466 12.949 1.00 0.00 C ATOM 743 O GLY A 45 -12.759 -4.764 13.351 1.00 0.00 O ATOM 0 H GLY A 45 -9.006 -4.712 13.857 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.681 -5.956 11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.744 -6.346 13.452 1.00 0.00 H new ATOM 747 N GLY A 46 -11.271 -3.218 12.673 1.00 0.00 N ATOM 748 CA GLY A 46 -12.205 -2.118 12.835 1.00 0.00 C ATOM 749 C GLY A 46 -11.634 -0.994 13.677 1.00 0.00 C ATOM 750 O GLY A 46 -10.422 -0.910 13.872 1.00 0.00 O ATOM 0 H GLY A 46 -10.346 -2.948 12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.479 -1.730 11.854 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.120 -2.487 13.299 1.00 0.00 H new ATOM 754 N GLY A 47 -12.510 -0.129 14.178 1.00 0.00 N ATOM 755 CA GLY A 47 -12.066 0.984 14.998 1.00 0.00 C ATOM 756 C GLY A 47 -11.411 2.081 14.181 1.00 0.00 C ATOM 757 O GLY A 47 -11.626 2.177 12.973 1.00 0.00 O ATOM 0 H GLY A 47 -13.518 -0.178 14.031 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.919 1.397 15.537 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.361 0.622 15.746 1.00 0.00 H new ATOM 761 N GLY A 48 -10.609 2.909 14.842 1.00 0.00 N ATOM 762 CA GLY A 48 -9.933 3.993 14.154 1.00 0.00 C ATOM 763 C GLY A 48 -8.520 3.628 13.742 1.00 0.00 C ATOM 764 O GLY A 48 -7.601 4.437 13.866 1.00 0.00 O ATOM 0 H GLY A 48 -10.415 2.849 15.842 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.506 4.270 13.269 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.904 4.869 14.803 1.00 0.00 H new ATOM 768 N GLU A 49 -8.346 2.405 13.250 1.00 0.00 N ATOM 769 CA GLU A 49 -7.035 1.934 12.818 1.00 0.00 C ATOM 770 C GLU A 49 -6.936 1.918 11.295 1.00 0.00 C ATOM 771 O GLU A 49 -5.852 2.075 10.734 1.00 0.00 O ATOM 772 CB GLU A 49 -6.765 0.533 13.373 1.00 0.00 C ATOM 773 CG GLU A 49 -5.391 -0.009 13.014 1.00 0.00 C ATOM 774 CD GLU A 49 -4.483 -0.143 14.220 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.550 0.727 15.115 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -3.702 -1.116 14.271 1.00 0.00 O ATOM 0 H GLU A 49 -9.096 1.723 13.141 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.284 2.622 13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.865 0.556 14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.526 -0.151 12.997 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.502 -0.983 12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.924 0.652 12.284 1.00 0.00 H new ATOM 783 N VAL A 50 -8.073 1.727 10.634 1.00 0.00 N ATOM 784 CA VAL A 50 -8.116 1.688 9.175 1.00 0.00 C ATOM 785 C VAL A 50 -7.487 2.938 8.566 1.00 0.00 C ATOM 786 O VAL A 50 -6.939 2.893 7.467 1.00 0.00 O ATOM 787 CB VAL A 50 -9.558 1.552 8.648 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.996 0.096 8.658 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.516 2.411 9.463 1.00 0.00 C ATOM 0 H VAL A 50 -8.978 1.597 11.085 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.544 0.810 8.876 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.580 1.908 7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.017 0.020 8.283 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.331 -0.488 8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.955 -0.289 9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.527 2.299 9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.492 2.094 10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.215 3.456 9.395 1.00 0.00 H new ATOM 799 N LYS A 51 -7.575 4.053 9.286 1.00 0.00 N ATOM 800 CA LYS A 51 -7.016 5.315 8.812 1.00 0.00 C ATOM 801 C LYS A 51 -5.490 5.274 8.800 1.00 0.00 C ATOM 802 O LYS A 51 -4.847 5.928 7.979 1.00 0.00 O ATOM 803 CB LYS A 51 -7.497 6.470 9.692 1.00 0.00 C ATOM 804 CG LYS A 51 -8.946 6.857 9.448 1.00 0.00 C ATOM 805 CD LYS A 51 -9.883 6.146 10.411 1.00 0.00 C ATOM 806 CE LYS A 51 -11.275 6.757 10.390 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.938 6.676 11.720 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.027 4.108 10.199 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.362 5.471 7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.375 6.193 10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.863 7.339 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.059 7.935 9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.222 6.611 8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.944 5.090 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.477 6.199 11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.209 7.800 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.886 6.243 9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.884 7.103 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.025 5.679 12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.369 7.189 12.423 1.00 0.00 H new ATOM 821 N LYS A 52 -4.915 4.507 9.722 1.00 0.00 N ATOM 822 CA LYS A 52 -3.463 4.385 9.825 1.00 0.00 C ATOM 823 C LYS A 52 -2.880 3.649 8.621 1.00 0.00 C ATOM 824 O LYS A 52 -1.765 3.940 8.187 1.00 0.00 O ATOM 825 CB LYS A 52 -3.087 3.653 11.115 1.00 0.00 C ATOM 826 CG LYS A 52 -2.672 4.582 12.244 1.00 0.00 C ATOM 827 CD LYS A 52 -1.988 3.821 13.369 1.00 0.00 C ATOM 828 CE LYS A 52 -0.501 3.652 13.104 1.00 0.00 C ATOM 829 NZ LYS A 52 -0.181 2.297 12.577 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.433 3.960 10.410 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.043 5.391 9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.936 3.053 11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.270 2.962 10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.998 5.347 11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.550 5.098 12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.133 4.352 14.310 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.452 2.841 13.482 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.172 4.406 12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.054 3.823 14.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.812 2.069 12.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.800 1.594 13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.331 2.280 11.548 1.00 0.00 H new ATOM 843 N VAL A 53 -3.633 2.691 8.096 1.00 0.00 N ATOM 844 CA VAL A 53 -3.189 1.902 6.951 1.00 0.00 C ATOM 845 C VAL A 53 -3.228 2.708 5.656 1.00 0.00 C ATOM 846 O VAL A 53 -2.352 2.565 4.809 1.00 0.00 O ATOM 847 CB VAL A 53 -4.050 0.636 6.776 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.462 -0.272 5.703 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.182 -0.105 8.099 1.00 0.00 C ATOM 0 H VAL A 53 -4.558 2.440 8.446 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.158 1.615 7.157 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.046 0.939 6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.085 -1.160 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.426 0.263 4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.454 -0.569 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.793 -0.996 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.193 -0.396 8.454 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.655 0.546 8.835 1.00 0.00 H new ATOM 859 N GLU A 54 -4.254 3.538 5.497 1.00 0.00 N ATOM 860 CA GLU A 54 -4.404 4.350 4.290 1.00 0.00 C ATOM 861 C GLU A 54 -3.256 5.345 4.141 1.00 0.00 C ATOM 862 O GLU A 54 -2.792 5.607 3.033 1.00 0.00 O ATOM 863 CB GLU A 54 -5.738 5.097 4.316 1.00 0.00 C ATOM 864 CG GLU A 54 -6.951 4.181 4.277 1.00 0.00 C ATOM 865 CD GLU A 54 -8.259 4.946 4.264 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.314 6.038 4.871 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.229 4.457 3.648 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.994 3.667 6.187 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.384 3.677 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.784 5.709 5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.780 5.778 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.896 3.548 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.930 3.519 5.143 1.00 0.00 H new ATOM 874 N GLU A 55 -2.802 5.899 5.258 1.00 0.00 N ATOM 875 CA GLU A 55 -1.707 6.865 5.244 1.00 0.00 C ATOM 876 C GLU A 55 -0.386 6.184 4.895 1.00 0.00 C ATOM 877 O GLU A 55 0.463 6.756 4.215 1.00 0.00 O ATOM 878 CB GLU A 55 -1.593 7.558 6.603 1.00 0.00 C ATOM 879 CG GLU A 55 -2.362 8.867 6.686 1.00 0.00 C ATOM 880 CD GLU A 55 -3.593 8.766 7.565 1.00 0.00 C ATOM 881 OE1 GLU A 55 -3.471 8.267 8.703 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 -4.680 9.186 7.114 1.00 0.00 O ATOM 0 H GLU A 55 -3.174 5.697 6.186 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.924 7.612 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.957 6.883 7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.541 7.750 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.706 9.646 7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.660 9.173 5.683 1.00 0.00 H new ATOM 889 N GLU A 56 -0.223 4.962 5.383 1.00 0.00 N ATOM 890 CA GLU A 56 0.991 4.186 5.152 1.00 0.00 C ATOM 891 C GLU A 56 1.254 3.963 3.662 1.00 0.00 C ATOM 892 O GLU A 56 2.392 4.053 3.203 1.00 0.00 O ATOM 893 CB GLU A 56 0.866 2.835 5.860 1.00 0.00 C ATOM 894 CG GLU A 56 1.436 2.830 7.267 1.00 0.00 C ATOM 895 CD GLU A 56 2.947 2.714 7.285 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.458 1.590 7.098 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.620 3.747 7.486 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.924 4.481 5.947 1.00 0.00 H new ATOM 0 HA GLU A 56 1.833 4.750 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.186 2.553 5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.376 2.075 5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.140 3.746 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.005 2.000 7.826 1.00 0.00 H new ATOM 904 N VAL A 57 0.198 3.654 2.920 1.00 0.00 N ATOM 905 CA VAL A 57 0.308 3.394 1.488 1.00 0.00 C ATOM 906 C VAL A 57 0.576 4.667 0.686 1.00 0.00 C ATOM 907 O VAL A 57 1.287 4.636 -0.318 1.00 0.00 O ATOM 908 CB VAL A 57 -0.953 2.682 0.944 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.118 3.650 0.779 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.637 1.986 -0.371 1.00 0.00 C ATOM 0 H VAL A 57 -0.750 3.577 3.288 1.00 0.00 H new ATOM 0 HA VAL A 57 1.166 2.733 1.362 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.257 1.932 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.985 3.113 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.363 4.092 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.840 4.438 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.532 1.489 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.301 2.722 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.149 1.247 -0.212 1.00 0.00 H new ATOM 920 N LYS A 58 -0.008 5.781 1.120 1.00 0.00 N ATOM 921 CA LYS A 58 0.161 7.053 0.422 1.00 0.00 C ATOM 922 C LYS A 58 1.640 7.397 0.252 1.00 0.00 C ATOM 923 O LYS A 58 2.035 8.002 -0.742 1.00 0.00 O ATOM 924 CB LYS A 58 -0.573 8.178 1.167 1.00 0.00 C ATOM 925 CG LYS A 58 0.185 8.741 2.362 1.00 0.00 C ATOM 926 CD LYS A 58 0.698 10.146 2.087 1.00 0.00 C ATOM 927 CE LYS A 58 -0.436 11.157 2.054 1.00 0.00 C ATOM 928 NZ LYS A 58 -0.202 12.222 1.040 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.601 5.829 1.949 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.276 6.952 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.776 8.988 0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.537 7.802 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.469 8.756 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.023 8.087 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.417 10.429 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.228 10.161 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.372 10.645 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.546 11.611 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.998 12.891 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.678 12.728 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.123 11.792 0.097 1.00 0.00 H new ATOM 942 N LYS A 59 2.452 7.008 1.226 1.00 0.00 N ATOM 943 CA LYS A 59 3.886 7.269 1.174 1.00 0.00 C ATOM 944 C LYS A 59 4.556 6.450 0.071 1.00 0.00 C ATOM 945 O LYS A 59 5.481 6.920 -0.590 1.00 0.00 O ATOM 946 CB LYS A 59 4.529 6.950 2.525 1.00 0.00 C ATOM 947 CG LYS A 59 3.830 7.612 3.702 1.00 0.00 C ATOM 948 CD LYS A 59 4.388 7.124 5.029 1.00 0.00 C ATOM 949 CE LYS A 59 5.729 7.768 5.342 1.00 0.00 C ATOM 950 NZ LYS A 59 5.825 8.186 6.767 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.143 6.511 2.061 1.00 0.00 H new ATOM 0 HA LYS A 59 4.029 8.326 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.528 5.870 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.571 7.268 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.946 8.694 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.761 7.402 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.680 7.349 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.502 6.040 5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.531 7.065 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.874 8.636 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.754 8.620 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.076 8.876 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.712 7.354 7.381 1.00 0.00 H new ATOM 964 N LEU A 60 4.093 5.214 -0.104 1.00 0.00 N ATOM 965 CA LEU A 60 4.655 4.307 -1.104 1.00 0.00 C ATOM 966 C LEU A 60 4.560 4.873 -2.523 1.00 0.00 C ATOM 967 O LEU A 60 5.524 4.809 -3.286 1.00 0.00 O ATOM 968 CB LEU A 60 3.938 2.957 -1.039 1.00 0.00 C ATOM 969 CG LEU A 60 4.786 1.747 -1.429 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.420 1.956 -2.796 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.854 1.483 -0.378 1.00 0.00 C ATOM 0 H LEU A 60 3.326 4.815 0.437 1.00 0.00 H new ATOM 0 HA LEU A 60 5.713 4.183 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.569 2.809 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.067 2.995 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 60 4.135 0.874 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.020 1.084 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.638 2.094 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.057 2.840 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.448 0.618 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.502 2.355 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.378 1.286 0.583 1.00 0.00 H new ATOM 983 N GLU A 61 3.400 5.417 -2.876 1.00 0.00 N ATOM 984 CA GLU A 61 3.200 5.979 -4.210 1.00 0.00 C ATOM 985 C GLU A 61 4.026 7.247 -4.402 1.00 0.00 C ATOM 986 O GLU A 61 4.502 7.530 -5.500 1.00 0.00 O ATOM 987 CB GLU A 61 1.717 6.268 -4.466 1.00 0.00 C ATOM 988 CG GLU A 61 1.055 7.100 -3.383 1.00 0.00 C ATOM 989 CD GLU A 61 1.011 8.577 -3.725 1.00 0.00 C ATOM 990 OE1 GLU A 61 2.019 9.097 -4.248 1.00 0.00 O ATOM 991 OE2 GLU A 61 -0.032 9.214 -3.469 1.00 0.00 O1- ATOM 0 H GLU A 61 2.588 5.481 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 61 3.538 5.237 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.618 6.786 -5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.184 5.322 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.040 6.738 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.594 6.964 -2.445 1.00 0.00 H new ATOM 998 N GLU A 62 4.190 8.009 -3.324 1.00 0.00 N ATOM 999 CA GLU A 62 4.960 9.248 -3.370 1.00 0.00 C ATOM 1000 C GLU A 62 6.373 8.985 -3.876 1.00 0.00 C ATOM 1001 O GLU A 62 6.934 9.782 -4.626 1.00 0.00 O ATOM 1002 CB GLU A 62 5.011 9.892 -1.984 1.00 0.00 C ATOM 1003 CG GLU A 62 3.687 10.493 -1.541 1.00 0.00 C ATOM 1004 CD GLU A 62 3.464 11.886 -2.095 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.105 12.231 -3.109 1.00 0.00 O ATOM 1006 OE2 GLU A 62 2.648 12.632 -1.513 1.00 0.00 O1- ATOM 0 H GLU A 62 3.800 7.790 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 62 4.466 9.932 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.322 9.143 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.772 10.672 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.872 9.844 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.655 10.530 -0.452 1.00 0.00 H new ATOM 1013 N GLU A 63 6.936 7.853 -3.466 1.00 0.00 N ATOM 1014 CA GLU A 63 8.278 7.474 -3.885 1.00 0.00 C ATOM 1015 C GLU A 63 8.292 7.153 -5.373 1.00 0.00 C ATOM 1016 O GLU A 63 9.284 7.389 -6.062 1.00 0.00 O ATOM 1017 CB GLU A 63 8.769 6.264 -3.086 1.00 0.00 C ATOM 1018 CG GLU A 63 8.558 6.395 -1.588 1.00 0.00 C ATOM 1019 CD GLU A 63 9.500 7.397 -0.951 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.684 7.054 -0.749 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 9.056 8.526 -0.655 1.00 0.00 O ATOM 0 H GLU A 63 6.483 7.183 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 63 8.948 8.313 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.252 5.372 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.831 6.116 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.528 6.697 -1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.698 5.421 -1.119 1.00 0.00 H new ATOM 1028 N ILE A 64 7.181 6.613 -5.860 1.00 0.00 N ATOM 1029 CA ILE A 64 7.058 6.256 -7.269 1.00 0.00 C ATOM 1030 C ILE A 64 7.228 7.481 -8.162 1.00 0.00 C ATOM 1031 O ILE A 64 7.781 7.391 -9.258 1.00 0.00 O ATOM 1032 CB ILE A 64 5.694 5.600 -7.570 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.449 4.420 -6.629 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.631 5.143 -9.022 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.105 3.755 -6.831 1.00 0.00 C ATOM 0 H ILE A 64 6.352 6.413 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 64 7.851 5.539 -7.483 1.00 0.00 H new ATOM 0 HB ILE A 64 4.912 6.341 -7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.237 3.681 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.523 4.766 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.662 4.683 -9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.764 6.002 -9.680 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.422 4.417 -9.210 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.000 2.927 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.310 4.481 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.035 3.378 -7.851 1.00 0.00 H new ATOM 1047 N LYS A 65 6.749 8.626 -7.688 1.00 0.00 N ATOM 1048 CA LYS A 65 6.850 9.867 -8.447 1.00 0.00 C ATOM 1049 C LYS A 65 8.286 10.381 -8.464 1.00 0.00 C ATOM 1050 O LYS A 65 8.702 11.057 -9.405 1.00 0.00 O ATOM 1051 CB LYS A 65 5.922 10.928 -7.853 1.00 0.00 C ATOM 1052 CG LYS A 65 4.450 10.672 -8.132 1.00 0.00 C ATOM 1053 CD LYS A 65 4.183 10.521 -9.621 1.00 0.00 C ATOM 1054 CE LYS A 65 2.745 10.873 -9.968 1.00 0.00 C ATOM 1055 NZ LYS A 65 2.315 10.256 -11.253 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.288 8.720 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 65 6.546 9.662 -9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.077 10.972 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.195 11.904 -8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.132 9.769 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.855 11.495 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.861 11.165 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.392 9.496 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.086 10.538 -9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.642 11.956 -10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.329 10.521 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.927 10.595 -12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.388 9.221 -11.183 1.00 0.00 H new ATOM 1069 N LYS A 66 9.039 10.054 -7.418 1.00 0.00 N ATOM 1070 CA LYS A 66 10.430 10.481 -7.315 1.00 0.00 C ATOM 1071 C LYS A 66 11.309 9.729 -8.309 1.00 0.00 C ATOM 1072 O LYS A 66 12.350 10.231 -8.734 1.00 0.00 O ATOM 1073 CB LYS A 66 10.946 10.263 -5.892 1.00 0.00 C ATOM 1074 CG LYS A 66 10.193 11.063 -4.841 1.00 0.00 C ATOM 1075 CD LYS A 66 11.130 11.943 -4.030 1.00 0.00 C ATOM 1076 CE LYS A 66 10.697 12.024 -2.575 1.00 0.00 C ATOM 1077 NZ LYS A 66 9.316 12.560 -2.435 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.710 9.495 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 66 10.476 11.544 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.877 9.203 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.002 10.531 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.439 11.683 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.664 10.382 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.144 11.547 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.154 12.944 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.749 11.032 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.391 12.660 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.115 12.743 -1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.232 13.447 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.635 11.866 -2.804 1.00 0.00 H new ATOM 1091 N LEU A 67 10.886 8.522 -8.676 1.00 0.00 N ATOM 1092 CA LEU A 67 11.640 7.706 -9.620 1.00 0.00 C ATOM 1093 C LEU A 67 11.063 7.826 -11.028 1.00 0.00 C ATOM 1094 O LEU A 67 11.820 7.606 -11.997 1.00 0.00 O ATOM 1095 CB LEU A 67 11.648 6.239 -9.167 1.00 0.00 C ATOM 1096 CG LEU A 67 10.409 5.422 -9.547 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.534 4.889 -10.967 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.202 4.279 -8.563 1.00 0.00 C ATOM 1099 OXT LEU A 67 9.860 8.139 -11.149 1.00 0.00 O ATOM 0 H LEU A 67 10.028 8.090 -8.335 1.00 0.00 H new ATOM 0 HA LEU A 67 12.667 8.072 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.526 5.752 -9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.760 6.213 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 67 9.539 6.077 -9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.644 4.311 -11.218 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.633 5.723 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.414 4.250 -11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.318 3.709 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.074 3.626 -8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.066 4.683 -7.560 1.00 0.00 H new