USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= -0.0224 (180deg=-0.19) 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+ 137:sc= 1.07 (180deg=-0.51) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= -0.317 (180deg=-0.976) USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00114) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.567 (180deg=-1.07) USER MOD Single : A 34 TYR OH : rot 135:sc= -6.81! USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -1.41 (180deg=-2.89!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -133:sc= 0.525 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 131:sc= 0.034 (180deg=-0.471) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -113:sc= -0.08 (180deg=-1.7!) 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 -14.917 -9.449 6.868 1.00 0.00 N ATOM 2 CA GLY A 1 -14.066 -8.239 7.036 1.00 0.00 C ATOM 3 C GLY A 1 -14.881 -6.980 7.253 1.00 0.00 C ATOM 4 O GLY A 1 -15.078 -6.551 8.390 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.311 -10.282 6.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.497 -9.587 7.720 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.538 -9.325 6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.397 -8.385 7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.439 -8.114 6.153 1.00 0.00 H new ATOM 10 N SER A 2 -15.352 -6.387 6.161 1.00 0.00 N ATOM 11 CA SER A 2 -16.144 -5.165 6.238 1.00 0.00 C ATOM 12 C SER A 2 -15.314 -4.029 6.821 1.00 0.00 C ATOM 13 O SER A 2 -14.608 -4.213 7.812 1.00 0.00 O ATOM 14 CB SER A 2 -17.395 -5.392 7.091 1.00 0.00 C ATOM 15 OG SER A 2 -18.058 -6.588 6.719 1.00 0.00 O ATOM 0 H SER A 2 -15.199 -6.732 5.213 1.00 0.00 H new ATOM 0 HA SER A 2 -16.452 -4.892 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.117 -5.439 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.074 -4.547 6.978 1.00 0.00 H new ATOM 0 HG SER A 2 -18.852 -6.710 7.280 1.00 0.00 H new ATOM 21 N ARG A 3 -15.397 -2.856 6.198 1.00 0.00 N ATOM 22 CA ARG A 3 -14.647 -1.687 6.653 1.00 0.00 C ATOM 23 C ARG A 3 -13.145 -1.892 6.449 1.00 0.00 C ATOM 24 O ARG A 3 -12.517 -1.191 5.656 1.00 0.00 O ATOM 25 CB ARG A 3 -14.956 -1.390 8.128 1.00 0.00 C ATOM 26 CG ARG A 3 -13.976 -0.431 8.791 1.00 0.00 C ATOM 27 CD ARG A 3 -13.741 0.810 7.945 1.00 0.00 C ATOM 28 NE ARG A 3 -14.987 1.350 7.405 1.00 0.00 N ATOM 29 CZ ARG A 3 -15.840 2.091 8.109 1.00 0.00 C ATOM 30 NH1 ARG A 3 -15.586 2.384 9.379 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -16.949 2.542 7.541 1.00 0.00 N ATOM 0 H ARG A 3 -15.977 -2.689 5.376 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.957 -0.829 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.960 -0.973 8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.960 -2.328 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.359 -0.138 9.768 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.027 -0.940 8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.248 1.572 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.066 0.567 7.125 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.216 1.147 6.432 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.733 2.041 9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.244 2.952 9.913 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.148 2.321 6.565 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.603 3.110 8.079 1.00 0.00 H new ATOM 45 N VAL A 4 -12.577 -2.855 7.167 1.00 0.00 N ATOM 46 CA VAL A 4 -11.153 -3.149 7.062 1.00 0.00 C ATOM 47 C VAL A 4 -10.827 -3.830 5.735 1.00 0.00 C ATOM 48 O VAL A 4 -9.854 -3.476 5.069 1.00 0.00 O ATOM 49 CB VAL A 4 -10.681 -4.050 8.219 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.177 -4.271 8.153 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.079 -3.451 9.559 1.00 0.00 C ATOM 0 H VAL A 4 -13.082 -3.445 7.828 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.628 -2.195 7.115 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.170 -5.019 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.867 -4.910 8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.921 -4.750 7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.665 -3.311 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.737 -4.101 10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.622 -2.467 9.668 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.164 -3.354 9.607 1.00 0.00 H new ATOM 61 N LYS A 5 -11.643 -4.811 5.357 1.00 0.00 N ATOM 62 CA LYS A 5 -11.432 -5.539 4.111 1.00 0.00 C ATOM 63 C LYS A 5 -11.454 -4.592 2.916 1.00 0.00 C ATOM 64 O LYS A 5 -10.611 -4.685 2.027 1.00 0.00 O ATOM 65 CB LYS A 5 -12.495 -6.627 3.936 1.00 0.00 C ATOM 66 CG LYS A 5 -12.493 -7.269 2.554 1.00 0.00 C ATOM 67 CD LYS A 5 -11.102 -7.737 2.156 1.00 0.00 C ATOM 68 CE LYS A 5 -11.107 -9.190 1.705 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.478 -10.113 2.813 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.454 -5.119 5.894 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.450 -6.010 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.337 -7.401 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.478 -6.196 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.179 -8.116 2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.861 -6.553 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.722 -7.107 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.423 -7.620 3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.809 -9.312 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.120 -9.456 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.108 -11.064 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.072 -9.766 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.514 -10.155 2.898 1.00 0.00 H new ATOM 83 N ALA A 6 -12.417 -3.677 2.902 1.00 0.00 N ATOM 84 CA ALA A 6 -12.535 -2.714 1.814 1.00 0.00 C ATOM 85 C ALA A 6 -11.242 -1.924 1.664 1.00 0.00 C ATOM 86 O ALA A 6 -10.829 -1.587 0.554 1.00 0.00 O ATOM 87 CB ALA A 6 -13.709 -1.781 2.061 1.00 0.00 C ATOM 0 H ALA A 6 -13.125 -3.582 3.630 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.716 -3.255 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.785 -1.067 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.629 -2.362 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.556 -1.243 2.997 1.00 0.00 H new ATOM 93 N LEU A 7 -10.606 -1.646 2.794 1.00 0.00 N ATOM 94 CA LEU A 7 -9.351 -0.910 2.818 1.00 0.00 C ATOM 95 C LEU A 7 -8.286 -1.637 2.002 1.00 0.00 C ATOM 96 O LEU A 7 -7.524 -1.019 1.260 1.00 0.00 O ATOM 97 CB LEU A 7 -8.882 -0.757 4.264 1.00 0.00 C ATOM 98 CG LEU A 7 -8.314 0.610 4.632 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.968 0.830 3.958 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.292 1.714 4.256 1.00 0.00 C ATOM 0 H LEU A 7 -10.944 -1.923 3.715 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.510 0.074 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.723 -0.971 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.121 -1.512 4.462 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.163 0.640 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.579 1.811 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.269 0.059 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.090 0.778 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.870 2.682 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.477 1.686 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.231 1.566 4.790 1.00 0.00 H new ATOM 112 N GLU A 8 -8.241 -2.953 2.159 1.00 0.00 N ATOM 113 CA GLU A 8 -7.273 -3.785 1.451 1.00 0.00 C ATOM 114 C GLU A 8 -7.483 -3.727 -0.062 1.00 0.00 C ATOM 115 O GLU A 8 -6.535 -3.856 -0.833 1.00 0.00 O ATOM 116 CB GLU A 8 -7.359 -5.236 1.952 1.00 0.00 C ATOM 117 CG GLU A 8 -8.310 -6.123 1.157 1.00 0.00 C ATOM 118 CD GLU A 8 -7.619 -6.841 0.014 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.376 -6.958 0.051 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.321 -7.285 -0.919 1.00 0.00 O ATOM 0 H GLU A 8 -8.868 -3.472 2.774 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.277 -3.394 1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.362 -5.677 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.675 -5.229 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.759 -6.858 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.123 -5.514 0.761 1.00 0.00 H new ATOM 127 N GLU A 9 -8.733 -3.555 -0.479 1.00 0.00 N ATOM 128 CA GLU A 9 -9.073 -3.502 -1.900 1.00 0.00 C ATOM 129 C GLU A 9 -8.487 -2.268 -2.586 1.00 0.00 C ATOM 130 O GLU A 9 -8.005 -2.351 -3.715 1.00 0.00 O ATOM 131 CB GLU A 9 -10.593 -3.525 -2.077 1.00 0.00 C ATOM 132 CG GLU A 9 -11.080 -4.621 -3.011 1.00 0.00 C ATOM 133 CD GLU A 9 -11.068 -4.196 -4.466 1.00 0.00 C ATOM 134 OE1 GLU A 9 -9.964 -4.010 -5.021 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -12.162 -4.049 -5.050 1.00 0.00 O ATOM 0 H GLU A 9 -9.531 -3.449 0.148 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.635 -4.380 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.062 -3.655 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.920 -2.559 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.451 -5.503 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.093 -4.910 -2.729 1.00 0.00 H new ATOM 142 N LYS A 10 -8.546 -1.123 -1.913 1.00 0.00 N ATOM 143 CA LYS A 10 -8.030 0.123 -2.478 1.00 0.00 C ATOM 144 C LYS A 10 -6.509 0.094 -2.611 1.00 0.00 C ATOM 145 O LYS A 10 -5.948 0.661 -3.549 1.00 0.00 O ATOM 146 CB LYS A 10 -8.459 1.314 -1.616 1.00 0.00 C ATOM 147 CG LYS A 10 -7.947 1.255 -0.185 1.00 0.00 C ATOM 148 CD LYS A 10 -7.771 2.647 0.402 1.00 0.00 C ATOM 149 CE LYS A 10 -9.084 3.200 0.931 1.00 0.00 C ATOM 150 NZ LYS A 10 -9.638 4.261 0.044 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.944 -1.030 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.451 0.231 -3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.103 2.233 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.548 1.365 -1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.645 0.686 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.995 0.725 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.039 2.613 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.374 3.317 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.808 2.390 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.930 3.606 1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.533 4.612 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.959 5.046 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.809 3.867 -0.903 1.00 0.00 H new ATOM 164 N VAL A 11 -5.849 -0.561 -1.665 1.00 0.00 N ATOM 165 CA VAL A 11 -4.393 -0.661 -1.663 1.00 0.00 C ATOM 166 C VAL A 11 -3.880 -1.480 -2.846 1.00 0.00 C ATOM 167 O VAL A 11 -2.822 -1.187 -3.405 1.00 0.00 O ATOM 168 CB VAL A 11 -3.892 -1.303 -0.352 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.372 -1.327 -0.306 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.457 -0.565 0.853 1.00 0.00 C ATOM 0 H VAL A 11 -6.302 -1.035 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.006 0.354 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.245 -2.334 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.043 -1.784 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.992 -1.906 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.990 -0.308 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.093 -1.031 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.137 0.477 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.546 -0.611 0.830 1.00 0.00 H new ATOM 180 N LYS A 12 -4.631 -2.509 -3.215 1.00 0.00 N ATOM 181 CA LYS A 12 -4.255 -3.382 -4.320 1.00 0.00 C ATOM 182 C LYS A 12 -4.361 -2.664 -5.655 1.00 0.00 C ATOM 183 O LYS A 12 -3.536 -2.864 -6.544 1.00 0.00 O ATOM 184 CB LYS A 12 -5.121 -4.642 -4.335 1.00 0.00 C ATOM 185 CG LYS A 12 -4.495 -5.792 -5.107 1.00 0.00 C ATOM 186 CD LYS A 12 -5.041 -7.132 -4.646 1.00 0.00 C ATOM 187 CE LYS A 12 -4.368 -8.286 -5.372 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.172 -9.537 -5.295 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.510 -2.761 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.215 -3.670 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.305 -4.960 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.090 -4.404 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.689 -5.665 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.413 -5.774 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.889 -7.238 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.116 -7.168 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.215 -8.017 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.383 -8.461 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.678 -10.299 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.297 -9.809 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.103 -9.379 -5.730 1.00 0.00 H new ATOM 202 N ALA A 13 -5.381 -1.827 -5.794 1.00 0.00 N ATOM 203 CA ALA A 13 -5.574 -1.087 -7.030 1.00 0.00 C ATOM 204 C ALA A 13 -4.326 -0.278 -7.342 1.00 0.00 C ATOM 205 O ALA A 13 -3.925 -0.153 -8.499 1.00 0.00 O ATOM 206 CB ALA A 13 -6.789 -0.177 -6.922 1.00 0.00 C ATOM 0 H ALA A 13 -6.080 -1.646 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.751 -1.792 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.919 0.369 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.677 -0.778 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.643 0.530 -6.105 1.00 0.00 H new ATOM 212 N LEU A 14 -3.697 0.240 -6.294 1.00 0.00 N ATOM 213 CA LEU A 14 -2.466 1.006 -6.454 1.00 0.00 C ATOM 214 C LEU A 14 -1.319 0.086 -6.850 1.00 0.00 C ATOM 215 O LEU A 14 -0.397 0.489 -7.548 1.00 0.00 O ATOM 216 CB LEU A 14 -2.118 1.763 -5.173 1.00 0.00 C ATOM 217 CG LEU A 14 -1.583 3.177 -5.402 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.856 4.056 -4.194 1.00 0.00 C ATOM 219 CD2 LEU A 14 -0.094 3.147 -5.716 1.00 0.00 C ATOM 0 H LEU A 14 -4.016 0.145 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.624 1.737 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.008 1.821 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.374 1.191 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.104 3.602 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.467 5.058 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.930 4.110 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.366 3.632 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.265 4.164 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.445 2.699 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.076 2.557 -6.617 1.00 0.00 H new ATOM 231 N GLU A 15 -1.388 -1.156 -6.386 1.00 0.00 N ATOM 232 CA GLU A 15 -0.363 -2.152 -6.674 1.00 0.00 C ATOM 233 C GLU A 15 -0.138 -2.305 -8.177 1.00 0.00 C ATOM 234 O GLU A 15 0.990 -2.482 -8.633 1.00 0.00 O ATOM 235 CB GLU A 15 -0.768 -3.499 -6.075 1.00 0.00 C ATOM 236 CG GLU A 15 0.335 -4.537 -6.117 1.00 0.00 C ATOM 237 CD GLU A 15 -0.099 -5.829 -6.781 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.765 -6.645 -6.111 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.227 -6.024 -7.971 1.00 0.00 O1- ATOM 0 H GLU A 15 -2.151 -1.500 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 15 0.571 -1.813 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.076 -3.349 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.636 -3.881 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.192 -4.129 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.666 -4.750 -5.101 1.00 0.00 H new ATOM 246 N GLU A 16 -1.225 -2.251 -8.931 1.00 0.00 N ATOM 247 CA GLU A 16 -1.178 -2.394 -10.385 1.00 0.00 C ATOM 248 C GLU A 16 -0.440 -1.231 -11.033 1.00 0.00 C ATOM 249 O GLU A 16 0.220 -1.401 -12.057 1.00 0.00 O ATOM 250 CB GLU A 16 -2.594 -2.492 -10.954 1.00 0.00 C ATOM 251 CG GLU A 16 -3.133 -3.912 -10.998 1.00 0.00 C ATOM 252 CD GLU A 16 -4.117 -4.128 -12.133 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.219 -3.244 -13.008 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -4.786 -5.183 -12.144 1.00 0.00 O ATOM 0 H GLU A 16 -2.163 -2.107 -8.558 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.634 -3.311 -10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.262 -1.877 -10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.601 -2.078 -11.962 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.302 -4.609 -11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.621 -4.141 -10.051 1.00 0.00 H new ATOM 261 N LYS A 17 -0.556 -0.054 -10.436 1.00 0.00 N ATOM 262 CA LYS A 17 0.105 1.130 -10.963 1.00 0.00 C ATOM 263 C LYS A 17 1.620 1.025 -10.792 1.00 0.00 C ATOM 264 O LYS A 17 2.385 1.575 -11.585 1.00 0.00 O ATOM 265 CB LYS A 17 -0.442 2.400 -10.295 1.00 0.00 C ATOM 266 CG LYS A 17 0.132 2.691 -8.916 1.00 0.00 C ATOM 267 CD LYS A 17 0.798 4.055 -8.867 1.00 0.00 C ATOM 268 CE LYS A 17 2.202 4.013 -9.450 1.00 0.00 C ATOM 269 NZ LYS A 17 2.200 4.253 -10.919 1.00 0.00 N1+ ATOM 0 H LYS A 17 -1.100 0.106 -9.588 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.107 1.195 -12.030 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.240 3.252 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.525 2.312 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.664 2.647 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.857 1.921 -8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.195 4.775 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.842 4.402 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.821 4.765 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.653 3.043 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.977 4.898 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.327 3.350 -11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.294 4.679 -11.200 1.00 0.00 H new ATOM 283 N VAL A 18 2.045 0.323 -9.743 1.00 0.00 N ATOM 284 CA VAL A 18 3.469 0.154 -9.456 1.00 0.00 C ATOM 285 C VAL A 18 4.157 -0.725 -10.497 1.00 0.00 C ATOM 286 O VAL A 18 5.234 -0.390 -10.990 1.00 0.00 O ATOM 287 CB VAL A 18 3.687 -0.461 -8.061 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.162 -0.446 -7.692 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.860 0.276 -7.017 1.00 0.00 C ATOM 0 H VAL A 18 1.424 -0.138 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 18 3.911 1.150 -9.488 1.00 0.00 H new ATOM 0 HB VAL A 18 3.356 -1.499 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.294 -0.885 -6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.726 -1.024 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.525 0.582 -7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.027 -0.173 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.157 1.324 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.803 0.205 -7.273 1.00 0.00 H new ATOM 299 N LYS A 19 3.532 -1.848 -10.829 1.00 0.00 N ATOM 300 CA LYS A 19 4.091 -2.771 -11.811 1.00 0.00 C ATOM 301 C LYS A 19 4.053 -2.163 -13.210 1.00 0.00 C ATOM 302 O LYS A 19 4.815 -2.560 -14.092 1.00 0.00 O ATOM 303 CB LYS A 19 3.321 -4.094 -11.793 1.00 0.00 C ATOM 304 CG LYS A 19 1.891 -3.975 -12.300 1.00 0.00 C ATOM 305 CD LYS A 19 1.636 -4.898 -13.483 1.00 0.00 C ATOM 306 CE LYS A 19 0.866 -6.139 -13.064 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.468 -5.801 -12.495 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.639 -2.142 -10.434 1.00 0.00 H new ATOM 0 HA LYS A 19 5.131 -2.961 -11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.854 -4.823 -12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.305 -4.481 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.198 -4.216 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.693 -2.944 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.076 -4.363 -14.250 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.586 -5.191 -13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.737 -6.794 -13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.445 -6.693 -12.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.143 -6.560 -12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.389 -5.699 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.805 -4.907 -12.907 1.00 0.00 H new ATOM 321 N ALA A 20 3.157 -1.202 -13.405 1.00 0.00 N ATOM 322 CA ALA A 20 3.009 -0.540 -14.693 1.00 0.00 C ATOM 323 C ALA A 20 4.006 0.607 -14.850 1.00 0.00 C ATOM 324 O ALA A 20 4.265 1.064 -15.963 1.00 0.00 O ATOM 325 CB ALA A 20 1.584 -0.034 -14.854 1.00 0.00 C ATOM 0 H ALA A 20 2.520 -0.864 -12.683 1.00 0.00 H new ATOM 0 HA ALA A 20 3.221 -1.268 -15.476 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.480 0.460 -15.820 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.891 -0.874 -14.800 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.357 0.675 -14.058 1.00 0.00 H new ATOM 331 N LEU A 21 4.567 1.068 -13.734 1.00 0.00 N ATOM 332 CA LEU A 21 5.535 2.159 -13.763 1.00 0.00 C ATOM 333 C LEU A 21 6.854 1.709 -14.394 1.00 0.00 C ATOM 334 O LEU A 21 7.680 2.535 -14.783 1.00 0.00 O ATOM 335 CB LEU A 21 5.770 2.705 -12.347 1.00 0.00 C ATOM 336 CG LEU A 21 6.839 1.982 -11.518 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.183 2.683 -11.652 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.422 1.909 -10.054 1.00 0.00 C ATOM 0 H LEU A 21 4.368 0.704 -12.802 1.00 0.00 H new ATOM 0 HA LEU A 21 5.125 2.959 -14.380 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.048 3.756 -12.426 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.827 2.665 -11.802 1.00 0.00 H new ATOM 0 HG LEU A 21 6.939 0.966 -11.900 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.929 2.156 -11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.489 2.686 -12.698 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.095 3.710 -11.297 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.193 1.393 -9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.293 2.918 -9.662 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.482 1.364 -9.970 1.00 0.00 H new ATOM 350 N GLY A 22 7.044 0.395 -14.495 1.00 0.00 N ATOM 351 CA GLY A 22 8.260 -0.135 -15.084 1.00 0.00 C ATOM 352 C GLY A 22 8.775 -1.360 -14.354 1.00 0.00 C ATOM 353 O GLY A 22 8.098 -1.902 -13.481 1.00 0.00 O ATOM 0 H GLY A 22 6.378 -0.310 -14.180 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.073 -0.390 -16.127 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.029 0.637 -15.078 1.00 0.00 H new ATOM 357 N GLY A 23 9.981 -1.795 -14.711 1.00 0.00 N ATOM 358 CA GLY A 23 10.570 -2.958 -14.072 1.00 0.00 C ATOM 359 C GLY A 23 12.044 -2.768 -13.774 1.00 0.00 C ATOM 360 O GLY A 23 12.847 -2.569 -14.685 1.00 0.00 O ATOM 0 H GLY A 23 10.560 -1.363 -15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.038 -3.168 -13.144 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.441 -3.828 -14.716 1.00 0.00 H new ATOM 364 N GLY A 24 12.401 -2.829 -12.495 1.00 0.00 N ATOM 365 CA GLY A 24 13.789 -2.661 -12.103 1.00 0.00 C ATOM 366 C GLY A 24 13.987 -2.794 -10.606 1.00 0.00 C ATOM 367 O GLY A 24 13.021 -2.895 -9.852 1.00 0.00 O ATOM 0 H GLY A 24 11.754 -2.992 -11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.401 -3.404 -12.615 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.139 -1.681 -12.427 1.00 0.00 H new ATOM 371 N GLY A 25 15.246 -2.797 -10.175 1.00 0.00 N ATOM 372 CA GLY A 25 15.554 -2.922 -8.759 1.00 0.00 C ATOM 373 C GLY A 25 14.752 -1.965 -7.896 1.00 0.00 C ATOM 374 O GLY A 25 14.167 -2.368 -6.892 1.00 0.00 O ATOM 0 H GLY A 25 16.061 -2.715 -10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.358 -3.945 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.617 -2.738 -8.606 1.00 0.00 H new ATOM 378 N ARG A 26 14.730 -0.696 -8.287 1.00 0.00 N ATOM 379 CA ARG A 26 13.997 0.322 -7.541 1.00 0.00 C ATOM 380 C ARG A 26 12.502 0.022 -7.523 1.00 0.00 C ATOM 381 O ARG A 26 11.852 0.121 -6.487 1.00 0.00 O ATOM 382 CB ARG A 26 14.238 1.709 -8.147 1.00 0.00 C ATOM 383 CG ARG A 26 14.052 1.760 -9.656 1.00 0.00 C ATOM 384 CD ARG A 26 14.406 3.127 -10.220 1.00 0.00 C ATOM 385 NE ARG A 26 15.800 3.487 -9.964 1.00 0.00 N ATOM 386 CZ ARG A 26 16.222 4.098 -8.859 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.366 4.410 -7.893 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 17.506 4.397 -8.717 1.00 0.00 N ATOM 0 H ARG A 26 15.211 -0.347 -9.116 1.00 0.00 H new ATOM 0 HA ARG A 26 14.365 0.310 -6.515 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.557 2.422 -7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.251 2.031 -7.904 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.676 1.000 -10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.018 1.521 -9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.223 3.133 -11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.752 3.880 -9.780 1.00 0.00 H new ATOM 0 HE ARG A 26 16.492 3.256 -10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.377 4.182 -7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.697 4.878 -7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.170 4.159 -9.454 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.830 4.865 -7.871 1.00 0.00 H new ATOM 402 N ILE A 27 11.963 -0.328 -8.685 1.00 0.00 N ATOM 403 CA ILE A 27 10.542 -0.633 -8.824 1.00 0.00 C ATOM 404 C ILE A 27 10.139 -1.917 -8.094 1.00 0.00 C ATOM 405 O ILE A 27 9.104 -1.959 -7.431 1.00 0.00 O ATOM 406 CB ILE A 27 10.145 -0.761 -10.309 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.673 0.433 -11.107 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.633 -0.868 -10.447 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.608 0.235 -12.605 1.00 0.00 C ATOM 0 H ILE A 27 12.493 -0.408 -9.553 1.00 0.00 H new ATOM 0 HA ILE A 27 10.012 0.202 -8.366 1.00 0.00 H new ATOM 0 HB ILE A 27 10.593 -1.670 -10.711 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.099 1.320 -10.841 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.707 0.624 -10.818 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.369 -0.958 -11.501 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.280 -1.747 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.166 0.024 -10.031 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.998 1.121 -13.106 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.206 -0.633 -12.884 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.573 0.074 -12.906 1.00 0.00 H new ATOM 421 N GLU A 28 10.939 -2.972 -8.248 1.00 0.00 N ATOM 422 CA GLU A 28 10.635 -4.265 -7.629 1.00 0.00 C ATOM 423 C GLU A 28 10.679 -4.212 -6.102 1.00 0.00 C ATOM 424 O GLU A 28 9.927 -4.919 -5.431 1.00 0.00 O ATOM 425 CB GLU A 28 11.602 -5.338 -8.138 1.00 0.00 C ATOM 426 CG GLU A 28 13.058 -5.064 -7.802 1.00 0.00 C ATOM 427 CD GLU A 28 13.786 -6.299 -7.311 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.335 -7.040 -8.154 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 13.808 -6.526 -6.084 1.00 0.00 O ATOM 0 H GLU A 28 11.800 -2.958 -8.794 1.00 0.00 H new ATOM 0 HA GLU A 28 9.615 -4.519 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.317 -6.301 -7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.499 -5.423 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.564 -4.676 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.111 -4.288 -7.038 1.00 0.00 H new ATOM 436 N GLU A 29 11.557 -3.385 -5.554 1.00 0.00 N ATOM 437 CA GLU A 29 11.683 -3.263 -4.104 1.00 0.00 C ATOM 438 C GLU A 29 10.484 -2.528 -3.508 1.00 0.00 C ATOM 439 O GLU A 29 10.011 -2.860 -2.421 1.00 0.00 O ATOM 440 CB GLU A 29 12.980 -2.538 -3.736 1.00 0.00 C ATOM 441 CG GLU A 29 13.054 -1.110 -4.249 1.00 0.00 C ATOM 442 CD GLU A 29 14.175 -0.316 -3.607 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.354 -0.638 -3.866 1.00 0.00 O ATOM 444 OE2 GLU A 29 13.874 0.626 -2.844 1.00 0.00 O1- ATOM 0 H GLU A 29 12.191 -2.790 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 29 11.711 -4.269 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.085 -2.530 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.825 -3.101 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.196 -1.123 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.104 -0.610 -4.058 1.00 0.00 H new ATOM 451 N LEU A 30 10.016 -1.515 -4.224 1.00 0.00 N ATOM 452 CA LEU A 30 8.894 -0.700 -3.788 1.00 0.00 C ATOM 453 C LEU A 30 7.633 -1.536 -3.571 1.00 0.00 C ATOM 454 O LEU A 30 6.951 -1.394 -2.556 1.00 0.00 O ATOM 455 CB LEU A 30 8.637 0.368 -4.848 1.00 0.00 C ATOM 456 CG LEU A 30 8.508 1.797 -4.329 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.832 2.270 -3.750 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.057 2.720 -5.449 1.00 0.00 C ATOM 0 H LEU A 30 10.405 -1.236 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 30 9.143 -0.242 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.450 0.336 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.722 0.111 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 30 7.759 1.818 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.725 3.291 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.123 1.618 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.599 2.241 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.968 3.737 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.789 2.697 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.090 2.388 -5.827 1.00 0.00 H new ATOM 470 N LYS A 31 7.328 -2.404 -4.529 1.00 0.00 N ATOM 471 CA LYS A 31 6.147 -3.258 -4.441 1.00 0.00 C ATOM 472 C LYS A 31 6.270 -4.262 -3.304 1.00 0.00 C ATOM 473 O LYS A 31 5.278 -4.612 -2.673 1.00 0.00 O ATOM 474 CB LYS A 31 5.870 -3.982 -5.760 1.00 0.00 C ATOM 475 CG LYS A 31 7.117 -4.385 -6.528 1.00 0.00 C ATOM 476 CD LYS A 31 6.789 -5.354 -7.651 1.00 0.00 C ATOM 477 CE LYS A 31 7.074 -6.792 -7.246 1.00 0.00 C ATOM 478 NZ LYS A 31 5.851 -7.482 -6.752 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.881 -2.536 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 31 5.301 -2.604 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.281 -4.875 -5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.260 -3.337 -6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.595 -3.496 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.833 -4.845 -5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.739 -5.253 -7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.375 -5.101 -8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.478 -7.336 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.838 -6.806 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.084 -8.464 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.489 -6.987 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.125 -7.477 -7.497 1.00 0.00 H new ATOM 492 N LYS A 32 7.488 -4.731 -3.050 1.00 0.00 N ATOM 493 CA LYS A 32 7.719 -5.702 -1.986 1.00 0.00 C ATOM 494 C LYS A 32 7.203 -5.155 -0.661 1.00 0.00 C ATOM 495 O LYS A 32 6.601 -5.879 0.131 1.00 0.00 O ATOM 496 CB LYS A 32 9.209 -6.030 -1.875 1.00 0.00 C ATOM 497 CG LYS A 32 9.687 -7.044 -2.901 1.00 0.00 C ATOM 498 CD LYS A 32 11.204 -7.146 -2.917 1.00 0.00 C ATOM 499 CE LYS A 32 11.678 -8.253 -3.844 1.00 0.00 C ATOM 500 NZ LYS A 32 11.750 -9.568 -3.148 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.326 -4.456 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 32 7.180 -6.618 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.784 -5.111 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.415 -6.413 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.258 -8.020 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.330 -6.758 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.630 -6.195 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.568 -7.335 -1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.001 -8.329 -4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.661 -7.998 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.077 -10.296 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.416 -9.503 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.807 -9.824 -2.791 1.00 0.00 H new ATOM 514 N LYS A 33 7.420 -3.867 -0.441 1.00 0.00 N ATOM 515 CA LYS A 33 6.955 -3.208 0.771 1.00 0.00 C ATOM 516 C LYS A 33 5.430 -3.168 0.789 1.00 0.00 C ATOM 517 O LYS A 33 4.804 -3.270 1.845 1.00 0.00 O ATOM 518 CB LYS A 33 7.518 -1.788 0.858 1.00 0.00 C ATOM 519 CG LYS A 33 7.260 -1.111 2.193 1.00 0.00 C ATOM 520 CD LYS A 33 8.423 -0.220 2.599 1.00 0.00 C ATOM 521 CE LYS A 33 8.591 0.947 1.642 1.00 0.00 C ATOM 522 NZ LYS A 33 7.842 2.151 2.096 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.917 -3.255 -1.088 1.00 0.00 H new ATOM 0 HA LYS A 33 7.307 -3.774 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.593 -1.821 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.081 -1.184 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.349 -0.516 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.095 -1.868 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.259 0.157 3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.341 -0.807 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.649 1.191 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.244 0.656 0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.783 2.837 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.883 1.874 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.336 2.584 2.902 1.00 0.00 H new ATOM 536 N TYR A 34 4.844 -3.002 -0.394 1.00 0.00 N ATOM 537 CA TYR A 34 3.393 -2.927 -0.542 1.00 0.00 C ATOM 538 C TYR A 34 2.697 -4.164 0.030 1.00 0.00 C ATOM 539 O TYR A 34 1.626 -4.053 0.623 1.00 0.00 O ATOM 540 CB TYR A 34 3.023 -2.754 -2.021 1.00 0.00 C ATOM 541 CG TYR A 34 2.220 -1.508 -2.304 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.911 -1.384 -1.858 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.772 -0.454 -3.020 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.176 -0.245 -2.118 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.043 0.688 -3.283 1.00 0.00 C ATOM 546 CZ TYR A 34 0.745 0.787 -2.830 1.00 0.00 C ATOM 547 OH TYR A 34 0.015 1.922 -3.087 1.00 0.00 O ATOM 0 H TYR A 34 5.357 -2.916 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 34 3.048 -2.062 0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.937 -2.729 -2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.454 -3.624 -2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.461 -2.191 -1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.789 -0.529 -3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.841 -0.164 -1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.487 1.499 -3.841 1.00 0.00 H new ATOM 0 HH TYR A 34 0.566 2.713 -2.910 1.00 0.00 H new ATOM 557 N GLU A 35 3.299 -5.339 -0.147 1.00 0.00 N ATOM 558 CA GLU A 35 2.710 -6.574 0.362 1.00 0.00 C ATOM 559 C GLU A 35 2.577 -6.514 1.879 1.00 0.00 C ATOM 560 O GLU A 35 1.635 -7.060 2.455 1.00 0.00 O ATOM 561 CB GLU A 35 3.545 -7.789 -0.057 1.00 0.00 C ATOM 562 CG GLU A 35 4.893 -7.887 0.642 1.00 0.00 C ATOM 563 CD GLU A 35 5.011 -9.121 1.516 1.00 0.00 C ATOM 564 OE1 GLU A 35 3.984 -9.542 2.090 1.00 0.00 O ATOM 565 OE2 GLU A 35 6.129 -9.666 1.625 1.00 0.00 O1- ATOM 0 H GLU A 35 4.187 -5.461 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 35 1.715 -6.681 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.975 -8.696 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.708 -7.750 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.686 -7.900 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.046 -6.998 1.253 1.00 0.00 H new ATOM 572 N GLU A 36 3.519 -5.828 2.518 1.00 0.00 N ATOM 573 CA GLU A 36 3.505 -5.672 3.965 1.00 0.00 C ATOM 574 C GLU A 36 2.301 -4.842 4.388 1.00 0.00 C ATOM 575 O GLU A 36 1.687 -5.097 5.421 1.00 0.00 O ATOM 576 CB GLU A 36 4.797 -5.004 4.442 1.00 0.00 C ATOM 577 CG GLU A 36 4.920 -4.932 5.956 1.00 0.00 C ATOM 578 CD GLU A 36 6.185 -5.590 6.472 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.242 -6.838 6.486 1.00 0.00 O ATOM 580 OE2 GLU A 36 7.119 -4.858 6.862 1.00 0.00 O1- ATOM 0 H GLU A 36 4.303 -5.371 2.053 1.00 0.00 H new ATOM 0 HA GLU A 36 3.434 -6.659 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.649 -5.553 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.847 -3.995 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.905 -3.888 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.054 -5.413 6.410 1.00 0.00 H new ATOM 587 N LEU A 37 1.982 -3.843 3.574 1.00 0.00 N ATOM 588 CA LEU A 37 0.859 -2.949 3.834 1.00 0.00 C ATOM 589 C LEU A 37 -0.461 -3.717 3.929 1.00 0.00 C ATOM 590 O LEU A 37 -1.296 -3.429 4.785 1.00 0.00 O ATOM 591 CB LEU A 37 0.771 -1.909 2.712 1.00 0.00 C ATOM 592 CG LEU A 37 1.088 -0.471 3.120 1.00 0.00 C ATOM 593 CD1 LEU A 37 1.108 0.430 1.898 1.00 0.00 C ATOM 594 CD2 LEU A 37 0.074 0.029 4.137 1.00 0.00 C ATOM 0 H LEU A 37 2.493 -3.630 2.717 1.00 0.00 H new ATOM 0 HA LEU A 37 1.029 -2.457 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.455 -2.201 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.235 -1.936 2.294 1.00 0.00 H new ATOM 0 HG LEU A 37 2.075 -0.449 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.335 1.452 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.870 0.081 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.133 0.405 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.315 1.055 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.925 -0.004 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.104 -0.605 5.023 1.00 0.00 H new ATOM 606 N LYS A 38 -0.646 -4.682 3.034 1.00 0.00 N ATOM 607 CA LYS A 38 -1.870 -5.480 3.003 1.00 0.00 C ATOM 608 C LYS A 38 -2.053 -6.288 4.286 1.00 0.00 C ATOM 609 O LYS A 38 -3.146 -6.337 4.845 1.00 0.00 O ATOM 610 CB LYS A 38 -1.856 -6.422 1.797 1.00 0.00 C ATOM 611 CG LYS A 38 -1.678 -5.707 0.467 1.00 0.00 C ATOM 612 CD LYS A 38 -1.713 -6.683 -0.699 1.00 0.00 C ATOM 613 CE LYS A 38 -3.099 -6.760 -1.320 1.00 0.00 C ATOM 614 NZ LYS A 38 -3.324 -8.057 -2.017 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.037 -4.932 2.319 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.709 -4.789 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.050 -7.146 1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.789 -6.985 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.465 -4.963 0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.729 -5.170 0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.991 -6.374 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.411 -7.673 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.853 -6.630 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.226 -5.941 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.337 -8.293 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.010 -7.979 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.783 -8.806 -1.540 1.00 0.00 H new ATOM 628 N LYS A 39 -0.981 -6.929 4.737 1.00 0.00 N ATOM 629 CA LYS A 39 -1.022 -7.750 5.945 1.00 0.00 C ATOM 630 C LYS A 39 -1.494 -6.950 7.158 1.00 0.00 C ATOM 631 O LYS A 39 -2.213 -7.470 8.009 1.00 0.00 O ATOM 632 CB LYS A 39 0.359 -8.345 6.224 1.00 0.00 C ATOM 633 CG LYS A 39 0.596 -9.681 5.539 1.00 0.00 C ATOM 634 CD LYS A 39 1.854 -10.358 6.059 1.00 0.00 C ATOM 635 CE LYS A 39 3.020 -10.178 5.100 1.00 0.00 C ATOM 636 NZ LYS A 39 4.124 -11.136 5.383 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.068 -6.897 4.283 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.739 -8.553 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.122 -7.639 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.480 -8.471 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.263 -10.332 5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.681 -9.529 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.115 -9.944 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.663 -11.421 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.673 -10.316 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.397 -9.158 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.900 -10.981 4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.473 -10.987 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.772 -12.110 5.288 1.00 0.00 H new ATOM 650 N LYS A 40 -1.076 -5.693 7.237 1.00 0.00 N ATOM 651 CA LYS A 40 -1.445 -4.827 8.352 1.00 0.00 C ATOM 652 C LYS A 40 -2.959 -4.659 8.444 1.00 0.00 C ATOM 653 O LYS A 40 -3.516 -4.546 9.536 1.00 0.00 O ATOM 654 CB LYS A 40 -0.769 -3.463 8.198 1.00 0.00 C ATOM 655 CG LYS A 40 -0.148 -2.947 9.485 1.00 0.00 C ATOM 656 CD LYS A 40 1.265 -2.430 9.259 1.00 0.00 C ATOM 657 CE LYS A 40 1.289 -1.289 8.254 1.00 0.00 C ATOM 658 NZ LYS A 40 2.677 -0.828 7.971 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.479 -5.248 6.540 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.104 -5.295 9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.004 -3.534 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.503 -2.740 7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.767 -2.148 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.129 -3.746 10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.685 -2.091 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.898 -3.243 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.817 -1.612 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.700 -0.455 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.714 0.210 8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.327 -1.229 8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.961 -1.143 7.021 1.00 0.00 H new ATOM 672 N ILE A 41 -3.616 -4.651 7.293 1.00 0.00 N ATOM 673 CA ILE A 41 -5.065 -4.505 7.234 1.00 0.00 C ATOM 674 C ILE A 41 -5.751 -5.768 7.742 1.00 0.00 C ATOM 675 O ILE A 41 -6.807 -5.709 8.371 1.00 0.00 O ATOM 676 CB ILE A 41 -5.537 -4.213 5.795 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.785 -3.011 5.223 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.038 -3.966 5.765 1.00 0.00 C ATOM 679 CD1 ILE A 41 -5.053 -2.776 3.753 1.00 0.00 C ATOM 0 H ILE A 41 -3.166 -4.744 6.382 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.336 -3.663 7.871 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.321 -5.084 5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.064 -2.118 5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.715 -3.158 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.353 -3.762 4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.559 -4.848 6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.279 -3.111 6.396 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.487 -1.908 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.748 -3.653 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.117 -2.597 3.601 1.00 0.00 H new ATOM 691 N GLU A 42 -5.133 -6.908 7.465 1.00 0.00 N ATOM 692 CA GLU A 42 -5.661 -8.196 7.889 1.00 0.00 C ATOM 693 C GLU A 42 -5.743 -8.267 9.409 1.00 0.00 C ATOM 694 O GLU A 42 -6.641 -8.898 9.966 1.00 0.00 O ATOM 695 CB GLU A 42 -4.777 -9.326 7.351 1.00 0.00 C ATOM 696 CG GLU A 42 -5.481 -10.220 6.342 1.00 0.00 C ATOM 697 CD GLU A 42 -5.735 -11.616 6.876 1.00 0.00 C ATOM 698 OE1 GLU A 42 -5.764 -11.783 8.114 1.00 0.00 O ATOM 699 OE2 GLU A 42 -5.906 -12.543 6.057 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.258 -6.966 6.944 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.667 -8.311 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.892 -8.893 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.432 -9.936 8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.430 -9.765 6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.877 -10.286 5.437 1.00 0.00 H new ATOM 706 N GLU A 43 -4.794 -7.617 10.074 1.00 0.00 N ATOM 707 CA GLU A 43 -4.748 -7.606 11.532 1.00 0.00 C ATOM 708 C GLU A 43 -5.735 -6.595 12.112 1.00 0.00 C ATOM 709 O GLU A 43 -6.143 -6.709 13.268 1.00 0.00 O ATOM 710 CB GLU A 43 -3.332 -7.285 12.016 1.00 0.00 C ATOM 711 CG GLU A 43 -2.374 -8.463 11.921 1.00 0.00 C ATOM 712 CD GLU A 43 -2.230 -9.205 13.235 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.409 -8.777 14.072 1.00 0.00 O ATOM 714 OE2 GLU A 43 -2.940 -10.215 13.427 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.045 -7.090 9.626 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.032 -8.599 11.881 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.935 -6.457 11.429 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.379 -6.948 13.052 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.728 -9.153 11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.395 -8.106 11.601 1.00 0.00 H new ATOM 721 N LEU A 44 -6.116 -5.607 11.307 1.00 0.00 N ATOM 722 CA LEU A 44 -7.054 -4.579 11.749 1.00 0.00 C ATOM 723 C LEU A 44 -8.346 -5.204 12.268 1.00 0.00 C ATOM 724 O LEU A 44 -9.041 -5.914 11.541 1.00 0.00 O ATOM 725 CB LEU A 44 -7.364 -3.614 10.601 1.00 0.00 C ATOM 726 CG LEU A 44 -6.951 -2.162 10.846 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.571 -1.488 9.539 1.00 0.00 C ATOM 728 CD2 LEU A 44 -8.075 -1.400 11.535 1.00 0.00 C ATOM 0 H LEU A 44 -5.790 -5.496 10.347 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.589 -4.026 12.565 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.863 -3.971 9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.435 -3.642 10.402 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.079 -2.156 11.500 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.280 -0.456 9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.736 -2.021 9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.424 -1.503 8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.766 -0.368 11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.964 -1.415 10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.301 -1.871 12.492 1.00 0.00 H new ATOM 740 N GLY A 45 -8.662 -4.934 13.531 1.00 0.00 N ATOM 741 CA GLY A 45 -9.870 -5.475 14.126 1.00 0.00 C ATOM 742 C GLY A 45 -11.096 -4.642 13.812 1.00 0.00 C ATOM 743 O GLY A 45 -11.908 -5.013 12.964 1.00 0.00 O ATOM 0 H GLY A 45 -8.103 -4.350 14.153 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.024 -6.492 13.766 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.743 -5.535 15.207 1.00 0.00 H new ATOM 747 N GLY A 46 -11.232 -3.512 14.498 1.00 0.00 N ATOM 748 CA GLY A 46 -12.371 -2.640 14.274 1.00 0.00 C ATOM 749 C GLY A 46 -12.079 -1.552 13.260 1.00 0.00 C ATOM 750 O GLY A 46 -11.286 -1.749 12.340 1.00 0.00 O ATOM 0 H GLY A 46 -10.574 -3.184 15.205 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.218 -3.235 13.930 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.665 -2.182 15.218 1.00 0.00 H new ATOM 754 N GLY A 47 -12.720 -0.400 13.429 1.00 0.00 N ATOM 755 CA GLY A 47 -12.512 0.707 12.515 1.00 0.00 C ATOM 756 C GLY A 47 -11.806 1.877 13.171 1.00 0.00 C ATOM 757 O GLY A 47 -12.369 2.965 13.287 1.00 0.00 O ATOM 0 H GLY A 47 -13.380 -0.214 14.184 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.925 0.365 11.662 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.475 1.039 12.127 1.00 0.00 H new ATOM 761 N GLY A 48 -10.567 1.653 13.601 1.00 0.00 N ATOM 762 CA GLY A 48 -9.802 2.706 14.244 1.00 0.00 C ATOM 763 C GLY A 48 -8.468 2.950 13.565 1.00 0.00 C ATOM 764 O GLY A 48 -8.043 4.094 13.409 1.00 0.00 O ATOM 0 H GLY A 48 -10.080 0.761 13.515 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.383 3.628 14.239 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.632 2.442 15.288 1.00 0.00 H new ATOM 768 N GLU A 49 -7.806 1.870 13.163 1.00 0.00 N ATOM 769 CA GLU A 49 -6.511 1.971 12.497 1.00 0.00 C ATOM 770 C GLU A 49 -6.667 1.974 10.976 1.00 0.00 C ATOM 771 O GLU A 49 -5.711 2.241 10.249 1.00 0.00 O ATOM 772 CB GLU A 49 -5.605 0.814 12.923 1.00 0.00 C ATOM 773 CG GLU A 49 -4.217 0.870 12.307 1.00 0.00 C ATOM 774 CD GLU A 49 -3.185 0.116 13.122 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.563 -0.865 13.797 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.000 0.506 13.087 1.00 0.00 O ATOM 0 H GLU A 49 -8.144 0.916 13.286 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.056 2.915 12.795 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.512 0.817 14.009 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.078 -0.128 12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.254 0.454 11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.908 1.911 12.211 1.00 0.00 H new ATOM 783 N VAL A 50 -7.874 1.673 10.498 1.00 0.00 N ATOM 784 CA VAL A 50 -8.143 1.642 9.065 1.00 0.00 C ATOM 785 C VAL A 50 -7.740 2.953 8.396 1.00 0.00 C ATOM 786 O VAL A 50 -7.187 2.955 7.296 1.00 0.00 O ATOM 787 CB VAL A 50 -9.632 1.369 8.778 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.988 -0.067 9.128 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.511 2.345 9.544 1.00 0.00 C ATOM 0 H VAL A 50 -8.679 1.448 11.083 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.545 0.830 8.652 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.810 1.514 7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.043 -0.242 8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.382 -0.748 8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.794 -0.242 10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.559 2.137 9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.331 2.234 10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.274 3.364 9.240 1.00 0.00 H new ATOM 799 N LYS A 51 -8.018 4.065 9.067 1.00 0.00 N ATOM 800 CA LYS A 51 -7.679 5.381 8.537 1.00 0.00 C ATOM 801 C LYS A 51 -6.167 5.582 8.522 1.00 0.00 C ATOM 802 O LYS A 51 -5.623 6.230 7.628 1.00 0.00 O ATOM 803 CB LYS A 51 -8.343 6.479 9.368 1.00 0.00 C ATOM 804 CG LYS A 51 -9.835 6.270 9.572 1.00 0.00 C ATOM 805 CD LYS A 51 -10.599 6.382 8.262 1.00 0.00 C ATOM 806 CE LYS A 51 -11.978 6.988 8.470 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.222 8.139 7.558 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.477 4.082 9.978 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.049 5.441 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.856 6.531 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.183 7.440 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.009 5.288 10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.213 7.008 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.033 6.996 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.699 5.394 7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.739 6.225 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.078 7.317 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.173 8.524 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.512 8.878 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.152 7.820 6.570 1.00 0.00 H new ATOM 821 N LYS A 52 -5.494 5.018 9.521 1.00 0.00 N ATOM 822 CA LYS A 52 -4.045 5.130 9.628 1.00 0.00 C ATOM 823 C LYS A 52 -3.355 4.362 8.506 1.00 0.00 C ATOM 824 O LYS A 52 -2.297 4.765 8.026 1.00 0.00 O ATOM 825 CB LYS A 52 -3.572 4.608 10.986 1.00 0.00 C ATOM 826 CG LYS A 52 -4.251 5.282 12.168 1.00 0.00 C ATOM 827 CD LYS A 52 -3.267 5.557 13.294 1.00 0.00 C ATOM 828 CE LYS A 52 -2.889 4.280 14.028 1.00 0.00 C ATOM 829 NZ LYS A 52 -1.716 3.608 13.404 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.931 4.478 10.268 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.779 6.183 9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.754 3.535 11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.495 4.752 11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.704 6.218 11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.058 4.648 12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.370 6.024 12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.705 6.266 13.997 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.663 4.513 15.069 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.739 3.598 14.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.019 3.372 14.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.027 2.736 12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.281 4.245 12.707 1.00 0.00 H new ATOM 843 N VAL A 53 -3.959 3.250 8.098 1.00 0.00 N ATOM 844 CA VAL A 53 -3.408 2.415 7.036 1.00 0.00 C ATOM 845 C VAL A 53 -3.440 3.131 5.688 1.00 0.00 C ATOM 846 O VAL A 53 -2.513 3.004 4.895 1.00 0.00 O ATOM 847 CB VAL A 53 -4.173 1.082 6.918 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.560 0.195 5.842 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.201 0.364 8.259 1.00 0.00 C ATOM 0 H VAL A 53 -4.835 2.905 8.490 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.371 2.211 7.304 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.199 1.303 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.118 -0.739 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.601 0.708 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.522 -0.019 6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.745 -0.575 8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.181 0.159 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.697 0.993 8.998 1.00 0.00 H new ATOM 859 N GLU A 54 -4.513 3.872 5.430 1.00 0.00 N ATOM 860 CA GLU A 54 -4.657 4.597 4.167 1.00 0.00 C ATOM 861 C GLU A 54 -3.483 5.546 3.936 1.00 0.00 C ATOM 862 O GLU A 54 -2.987 5.674 2.818 1.00 0.00 O ATOM 863 CB GLU A 54 -5.969 5.384 4.154 1.00 0.00 C ATOM 864 CG GLU A 54 -7.202 4.513 3.976 1.00 0.00 C ATOM 865 CD GLU A 54 -8.491 5.270 4.232 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.654 5.804 5.348 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.337 5.328 3.314 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.295 3.988 6.075 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.668 3.863 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.059 5.939 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.934 6.118 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.216 4.111 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.143 3.663 4.655 1.00 0.00 H new ATOM 874 N GLU A 55 -3.046 6.207 5.000 1.00 0.00 N ATOM 875 CA GLU A 55 -1.931 7.146 4.924 1.00 0.00 C ATOM 876 C GLU A 55 -0.616 6.417 4.660 1.00 0.00 C ATOM 877 O GLU A 55 0.262 6.924 3.961 1.00 0.00 O ATOM 878 CB GLU A 55 -1.829 7.951 6.220 1.00 0.00 C ATOM 879 CG GLU A 55 -1.089 9.270 6.062 1.00 0.00 C ATOM 880 CD GLU A 55 -1.795 10.421 6.751 1.00 0.00 C ATOM 881 OE1 GLU A 55 -3.044 10.404 6.807 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 -1.102 11.339 7.236 1.00 0.00 O ATOM 0 H GLU A 55 -3.449 6.110 5.932 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.119 7.826 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.833 8.150 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.322 7.348 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.083 9.169 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.982 9.497 5.001 1.00 0.00 H new ATOM 889 N GLU A 56 -0.484 5.234 5.246 1.00 0.00 N ATOM 890 CA GLU A 56 0.723 4.427 5.112 1.00 0.00 C ATOM 891 C GLU A 56 1.028 4.096 3.650 1.00 0.00 C ATOM 892 O GLU A 56 2.187 4.086 3.240 1.00 0.00 O ATOM 893 CB GLU A 56 0.560 3.135 5.915 1.00 0.00 C ATOM 894 CG GLU A 56 0.781 3.316 7.408 1.00 0.00 C ATOM 895 CD GLU A 56 2.249 3.306 7.787 1.00 0.00 C ATOM 896 OE1 GLU A 56 2.873 4.388 7.773 1.00 0.00 O ATOM 897 OE2 GLU A 56 2.775 2.216 8.096 1.00 0.00 O1- ATOM 0 H GLU A 56 -1.207 4.808 5.825 1.00 0.00 H new ATOM 0 HA GLU A 56 1.562 5.006 5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.442 2.738 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.263 2.392 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.334 4.258 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.265 2.521 7.947 1.00 0.00 H new ATOM 904 N VAL A 57 -0.012 3.824 2.871 1.00 0.00 N ATOM 905 CA VAL A 57 0.154 3.493 1.461 1.00 0.00 C ATOM 906 C VAL A 57 0.544 4.721 0.641 1.00 0.00 C ATOM 907 O VAL A 57 1.299 4.618 -0.324 1.00 0.00 O ATOM 908 CB VAL A 57 -1.114 2.836 0.865 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.185 3.873 0.549 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.753 2.037 -0.380 1.00 0.00 C ATOM 0 H VAL A 57 -0.980 3.826 3.192 1.00 0.00 H new ATOM 0 HA VAL A 57 0.965 2.767 1.407 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.527 2.158 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.061 3.376 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.465 4.397 1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.796 4.589 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.652 1.579 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.311 2.701 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.037 1.259 -0.118 1.00 0.00 H new ATOM 920 N LYS A 58 0.009 5.878 1.021 1.00 0.00 N ATOM 921 CA LYS A 58 0.285 7.126 0.312 1.00 0.00 C ATOM 922 C LYS A 58 1.786 7.383 0.204 1.00 0.00 C ATOM 923 O LYS A 58 2.257 7.944 -0.782 1.00 0.00 O ATOM 924 CB LYS A 58 -0.396 8.298 1.023 1.00 0.00 C ATOM 925 CG LYS A 58 -1.606 8.839 0.280 1.00 0.00 C ATOM 926 CD LYS A 58 -1.195 9.650 -0.938 1.00 0.00 C ATOM 927 CE LYS A 58 -0.358 10.857 -0.544 1.00 0.00 C ATOM 928 NZ LYS A 58 -0.247 11.842 -1.655 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.620 5.978 1.818 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.116 7.034 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.704 7.979 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.328 9.102 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.243 8.011 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.197 9.462 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.627 9.019 -1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.085 9.981 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.804 11.340 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.639 10.527 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.331 12.650 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.201 11.389 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.196 12.176 -1.919 1.00 0.00 H new ATOM 942 N LYS A 59 2.534 6.971 1.218 1.00 0.00 N ATOM 943 CA LYS A 59 3.980 7.158 1.217 1.00 0.00 C ATOM 944 C LYS A 59 4.642 6.283 0.149 1.00 0.00 C ATOM 945 O LYS A 59 5.613 6.689 -0.488 1.00 0.00 O ATOM 946 CB LYS A 59 4.564 6.852 2.603 1.00 0.00 C ATOM 947 CG LYS A 59 4.779 5.371 2.878 1.00 0.00 C ATOM 948 CD LYS A 59 4.638 5.053 4.359 1.00 0.00 C ATOM 949 CE LYS A 59 5.138 3.653 4.682 1.00 0.00 C ATOM 950 NZ LYS A 59 4.044 2.772 5.177 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.167 6.507 2.049 1.00 0.00 H new ATOM 0 HA LYS A 59 4.188 8.201 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.517 7.371 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.897 7.258 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.057 4.786 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.770 5.076 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.198 5.783 4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.592 5.143 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.584 3.212 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.924 3.713 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.213 2.536 6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.133 3.266 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.020 1.898 4.614 1.00 0.00 H new ATOM 964 N LEU A 60 4.113 5.073 -0.022 1.00 0.00 N ATOM 965 CA LEU A 60 4.651 4.120 -0.992 1.00 0.00 C ATOM 966 C LEU A 60 4.631 4.674 -2.417 1.00 0.00 C ATOM 967 O LEU A 60 5.611 4.545 -3.150 1.00 0.00 O ATOM 968 CB LEU A 60 3.849 2.817 -0.933 1.00 0.00 C ATOM 969 CG LEU A 60 4.670 1.536 -1.085 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.216 1.417 -2.498 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.802 1.505 -0.068 1.00 0.00 C ATOM 0 H LEU A 60 3.308 4.728 0.501 1.00 0.00 H new ATOM 0 HA LEU A 60 5.692 3.933 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.319 2.779 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.093 2.839 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 60 4.017 0.684 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.798 0.499 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.388 1.393 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.854 2.274 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.376 0.587 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.454 2.364 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.387 1.542 0.939 1.00 0.00 H new ATOM 983 N GLU A 61 3.517 5.282 -2.809 1.00 0.00 N ATOM 984 CA GLU A 61 3.390 5.839 -4.154 1.00 0.00 C ATOM 985 C GLU A 61 4.320 7.034 -4.337 1.00 0.00 C ATOM 986 O GLU A 61 4.849 7.258 -5.425 1.00 0.00 O ATOM 987 CB GLU A 61 1.942 6.243 -4.448 1.00 0.00 C ATOM 988 CG GLU A 61 1.343 7.195 -3.428 1.00 0.00 C ATOM 989 CD GLU A 61 1.827 8.622 -3.602 1.00 0.00 C ATOM 990 OE1 GLU A 61 2.386 8.933 -4.675 1.00 0.00 O ATOM 991 OE2 GLU A 61 1.644 9.430 -2.668 1.00 0.00 O1- ATOM 0 H GLU A 61 2.693 5.402 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 61 3.680 5.063 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.899 6.709 -5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.328 5.344 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.256 7.172 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.594 6.851 -2.425 1.00 0.00 H new ATOM 998 N GLU A 62 4.524 7.789 -3.264 1.00 0.00 N ATOM 999 CA GLU A 62 5.400 8.956 -3.302 1.00 0.00 C ATOM 1000 C GLU A 62 6.790 8.556 -3.777 1.00 0.00 C ATOM 1001 O GLU A 62 7.448 9.295 -4.510 1.00 0.00 O ATOM 1002 CB GLU A 62 5.486 9.603 -1.918 1.00 0.00 C ATOM 1003 CG GLU A 62 4.486 10.729 -1.709 1.00 0.00 C ATOM 1004 CD GLU A 62 4.627 11.833 -2.738 1.00 0.00 C ATOM 1005 OE1 GLU A 62 5.776 12.163 -3.101 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 3.589 12.367 -3.181 1.00 0.00 O ATOM 0 H GLU A 62 4.095 7.614 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 62 4.982 9.680 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.324 8.839 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.494 9.991 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.475 10.324 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.620 11.148 -0.712 1.00 0.00 H new ATOM 1013 N GLU A 63 7.224 7.373 -3.360 1.00 0.00 N ATOM 1014 CA GLU A 63 8.528 6.853 -3.745 1.00 0.00 C ATOM 1015 C GLU A 63 8.547 6.522 -5.231 1.00 0.00 C ATOM 1016 O GLU A 63 9.578 6.645 -5.892 1.00 0.00 O ATOM 1017 CB GLU A 63 8.872 5.606 -2.928 1.00 0.00 C ATOM 1018 CG GLU A 63 8.629 5.765 -1.437 1.00 0.00 C ATOM 1019 CD GLU A 63 9.654 6.666 -0.773 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.795 6.738 -1.275 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 9.314 7.298 0.250 1.00 0.00 O ATOM 0 H GLU A 63 6.688 6.754 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 63 9.276 7.620 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.281 4.767 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.920 5.353 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.632 6.175 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.651 4.784 -0.962 1.00 0.00 H new ATOM 1028 N ILE A 64 7.398 6.096 -5.747 1.00 0.00 N ATOM 1029 CA ILE A 64 7.278 5.741 -7.159 1.00 0.00 C ATOM 1030 C ILE A 64 7.681 6.906 -8.061 1.00 0.00 C ATOM 1031 O ILE A 64 8.438 6.730 -9.016 1.00 0.00 O ATOM 1032 CB ILE A 64 5.840 5.306 -7.515 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.393 4.149 -6.620 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.751 4.907 -8.982 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.974 3.693 -6.885 1.00 0.00 C ATOM 0 H ILE A 64 6.537 5.988 -5.210 1.00 0.00 H new ATOM 0 HA ILE A 64 7.955 4.904 -7.327 1.00 0.00 H new ATOM 0 HB ILE A 64 5.173 6.152 -7.346 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.070 3.307 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.480 4.453 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.730 4.603 -9.215 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.029 5.755 -9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.430 4.076 -9.175 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.725 2.870 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.287 4.522 -6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.887 3.358 -7.919 1.00 0.00 H new ATOM 1047 N LYS A 65 7.168 8.093 -7.755 1.00 0.00 N ATOM 1048 CA LYS A 65 7.473 9.282 -8.543 1.00 0.00 C ATOM 1049 C LYS A 65 8.936 9.684 -8.387 1.00 0.00 C ATOM 1050 O LYS A 65 9.553 10.196 -9.321 1.00 0.00 O ATOM 1051 CB LYS A 65 6.569 10.443 -8.123 1.00 0.00 C ATOM 1052 CG LYS A 65 5.165 10.362 -8.699 1.00 0.00 C ATOM 1053 CD LYS A 65 4.257 11.426 -8.107 1.00 0.00 C ATOM 1054 CE LYS A 65 2.936 11.512 -8.853 1.00 0.00 C ATOM 1055 NZ LYS A 65 3.043 12.354 -10.077 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.540 8.257 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 65 7.291 9.045 -9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.505 10.467 -7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.027 11.381 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.208 10.480 -9.782 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.747 9.375 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.069 11.201 -7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.758 12.393 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.609 10.510 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.173 11.925 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.121 12.387 -10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.330 13.318 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.753 11.946 -10.718 1.00 0.00 H new ATOM 1069 N LYS A 66 9.484 9.448 -7.200 1.00 0.00 N ATOM 1070 CA LYS A 66 10.875 9.787 -6.917 1.00 0.00 C ATOM 1071 C LYS A 66 11.836 8.870 -7.672 1.00 0.00 C ATOM 1072 O LYS A 66 13.026 9.164 -7.781 1.00 0.00 O ATOM 1073 CB LYS A 66 11.144 9.694 -5.415 1.00 0.00 C ATOM 1074 CG LYS A 66 10.491 10.805 -4.610 1.00 0.00 C ATOM 1075 CD LYS A 66 11.281 11.118 -3.350 1.00 0.00 C ATOM 1076 CE LYS A 66 10.418 11.811 -2.308 1.00 0.00 C ATOM 1077 NZ LYS A 66 10.921 11.580 -0.927 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.986 9.023 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 66 11.045 10.810 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.785 8.732 -5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.220 9.718 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.412 11.702 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.476 10.513 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.685 10.195 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.131 11.753 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.394 12.882 -2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.393 11.448 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.305 12.069 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.920 10.560 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.890 11.949 -0.844 1.00 0.00 H new ATOM 1091 N LEU A 67 11.317 7.760 -8.187 1.00 0.00 N ATOM 1092 CA LEU A 67 12.137 6.806 -8.924 1.00 0.00 C ATOM 1093 C LEU A 67 12.046 7.054 -10.429 1.00 0.00 C ATOM 1094 O LEU A 67 12.990 6.667 -11.149 1.00 0.00 O ATOM 1095 CB LEU A 67 11.712 5.371 -8.584 1.00 0.00 C ATOM 1096 CG LEU A 67 10.686 4.739 -9.530 1.00 0.00 C ATOM 1097 CD1 LEU A 67 11.384 3.936 -10.617 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.716 3.859 -8.755 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.031 7.631 -10.873 1.00 0.00 O ATOM 0 H LEU A 67 10.334 7.500 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 67 13.176 6.943 -8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.602 4.742 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.301 5.363 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 67 10.119 5.539 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.639 3.495 -11.279 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.037 4.593 -11.192 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.977 3.144 -10.160 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.995 3.419 -9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.268 3.066 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.190 4.462 -8.015 1.00 0.00 H new TER 1111 LEU A 67