USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 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 160:sc=-0.00411 USER MOD Single : A 5 LYS NZ :NH3+ 165:sc=-0.00777 (180deg=-0.136) USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= 0.0418 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -0.0746 (180deg=-0.522) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.929 (180deg=-1.9) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= 1.27 (180deg=0.169) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -1.26 (180deg=-2.64!) 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 Single : A 101 HTS O1 : rot 165:sc= 0.939 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.731 -7.011 14.118 1.00 0.00 N ATOM 2 CA GLY A 1 -14.002 -6.514 13.521 1.00 0.00 C ATOM 3 C GLY A 1 -13.916 -5.062 13.097 1.00 0.00 C ATOM 4 O GLY A 1 -14.498 -4.185 13.737 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.842 -8.008 14.391 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.964 -6.926 13.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.498 -6.446 14.959 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.257 -7.127 12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.809 -6.631 14.244 1.00 0.00 H new ATOM 10 N SER A 2 -13.188 -4.805 12.015 1.00 0.00 N ATOM 11 CA SER A 2 -13.028 -3.448 11.506 1.00 0.00 C ATOM 12 C SER A 2 -12.928 -3.446 9.985 1.00 0.00 C ATOM 13 O SER A 2 -12.932 -4.500 9.350 1.00 0.00 O ATOM 14 CB SER A 2 -11.782 -2.798 12.111 1.00 0.00 C ATOM 15 OG SER A 2 -11.885 -2.713 13.522 1.00 0.00 O ATOM 0 H SER A 2 -12.700 -5.519 11.474 1.00 0.00 H new ATOM 0 HA SER A 2 -13.907 -2.872 11.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.899 -3.377 11.842 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.649 -1.801 11.692 1.00 0.00 H new ATOM 0 HG SER A 2 -10.991 -2.604 13.909 1.00 0.00 H new ATOM 21 N ARG A 3 -12.837 -2.253 9.405 1.00 0.00 N ATOM 22 CA ARG A 3 -12.736 -2.111 7.957 1.00 0.00 C ATOM 23 C ARG A 3 -11.576 -1.195 7.581 1.00 0.00 C ATOM 24 O ARG A 3 -10.589 -1.635 6.991 1.00 0.00 O ATOM 25 CB ARG A 3 -14.044 -1.563 7.384 1.00 0.00 C ATOM 26 CG ARG A 3 -14.458 -2.221 6.078 1.00 0.00 C ATOM 27 CD ARG A 3 -15.060 -1.213 5.111 1.00 0.00 C ATOM 28 NE ARG A 3 -15.917 -1.854 4.116 1.00 0.00 N ATOM 29 CZ ARG A 3 -16.271 -1.286 2.966 1.00 0.00 C ATOM 30 NH1 ARG A 3 -15.844 -0.066 2.661 1.00 0.00 N ATOM 31 NH2 ARG A 3 -17.054 -1.938 2.117 1.00 0.00 N ATOM 0 H ARG A 3 -12.831 -1.370 9.916 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.549 -3.097 7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.838 -1.700 8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.940 -0.490 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.591 -2.695 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.183 -3.010 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.639 -0.477 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.260 -0.672 4.606 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.264 -2.792 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.241 0.440 3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.119 0.364 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.385 -2.875 2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.325 -1.502 1.236 1.00 0.00 H new ATOM 45 N VAL A 4 -11.701 0.082 7.928 1.00 0.00 N ATOM 46 CA VAL A 4 -10.663 1.061 7.627 1.00 0.00 C ATOM 47 C VAL A 4 -9.446 0.863 8.524 1.00 0.00 C ATOM 48 O VAL A 4 -8.306 0.929 8.062 1.00 0.00 O ATOM 49 CB VAL A 4 -11.181 2.502 7.795 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.160 3.501 7.276 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.516 2.676 7.086 1.00 0.00 C ATOM 0 H VAL A 4 -12.511 0.463 8.418 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.375 0.907 6.587 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.333 2.692 8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.544 4.513 7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.230 3.393 7.833 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.973 3.314 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.866 3.700 7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.394 2.466 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.246 1.987 7.510 1.00 0.00 H new ATOM 61 N LYS A 5 -9.694 0.617 9.806 1.00 0.00 N ATOM 62 CA LYS A 5 -8.617 0.406 10.769 1.00 0.00 C ATOM 63 C LYS A 5 -7.702 -0.728 10.317 1.00 0.00 C ATOM 64 O LYS A 5 -6.501 -0.717 10.584 1.00 0.00 O ATOM 65 CB LYS A 5 -9.192 0.091 12.151 1.00 0.00 C ATOM 66 CG LYS A 5 -10.137 1.161 12.674 1.00 0.00 C ATOM 67 CD LYS A 5 -10.809 0.726 13.966 1.00 0.00 C ATOM 68 CE LYS A 5 -12.077 1.523 14.230 1.00 0.00 C ATOM 69 NZ LYS A 5 -13.184 1.124 13.319 1.00 0.00 N ATOM 0 H LYS A 5 -10.632 0.559 10.203 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.031 1.323 10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.722 -0.860 12.107 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.371 -0.034 12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.584 2.085 12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.896 1.377 11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.050 -0.336 13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.117 0.855 14.798 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.388 1.378 15.264 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.870 2.586 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.085 1.493 13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.010 1.513 12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.232 0.087 13.264 1.00 0.00 H new ATOM 83 N ALA A 6 -8.281 -1.704 9.626 1.00 0.00 N ATOM 84 CA ALA A 6 -7.525 -2.847 9.129 1.00 0.00 C ATOM 85 C ALA A 6 -6.771 -2.490 7.853 1.00 0.00 C ATOM 86 O ALA A 6 -5.755 -3.103 7.530 1.00 0.00 O ATOM 87 CB ALA A 6 -8.453 -4.028 8.884 1.00 0.00 C ATOM 0 H ALA A 6 -9.275 -1.726 9.397 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.794 -3.127 9.887 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.875 -4.874 8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.944 -4.305 9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.206 -3.752 8.146 1.00 0.00 H new ATOM 93 N LEU A 7 -7.279 -1.499 7.128 1.00 0.00 N ATOM 94 CA LEU A 7 -6.659 -1.059 5.882 1.00 0.00 C ATOM 95 C LEU A 7 -5.304 -0.402 6.139 1.00 0.00 C ATOM 96 O LEU A 7 -4.417 -0.436 5.287 1.00 0.00 O ATOM 97 CB LEU A 7 -7.583 -0.079 5.156 1.00 0.00 C ATOM 98 CG LEU A 7 -7.652 -0.251 3.639 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.614 0.757 3.030 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.268 -0.109 3.023 1.00 0.00 C ATOM 0 H LEU A 7 -8.121 -0.983 7.383 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.497 -1.937 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.589 -0.183 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.254 0.937 5.376 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.023 -1.253 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.650 0.619 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.610 0.608 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.273 1.767 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.336 -0.234 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.869 0.880 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.606 -0.871 3.436 1.00 0.00 H new ATOM 112 N GLU A 8 -5.155 0.202 7.314 1.00 0.00 N ATOM 113 CA GLU A 8 -3.911 0.876 7.675 1.00 0.00 C ATOM 114 C GLU A 8 -2.846 -0.122 8.122 1.00 0.00 C ATOM 115 O GLU A 8 -1.670 0.027 7.795 1.00 0.00 O ATOM 116 CB GLU A 8 -4.167 1.894 8.787 1.00 0.00 C ATOM 117 CG GLU A 8 -5.123 3.005 8.386 1.00 0.00 C ATOM 118 CD GLU A 8 -5.664 3.769 9.578 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.646 3.297 10.189 1.00 0.00 O ATOM 120 OE2 GLU A 8 -5.107 4.839 9.901 1.00 0.00 O ATOM 0 H GLU A 8 -5.879 0.239 8.032 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.542 1.392 6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.570 1.376 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.217 2.335 9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.610 3.697 7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.955 2.578 7.825 1.00 0.00 H new ATOM 127 N GLU A 9 -3.264 -1.134 8.875 1.00 0.00 N ATOM 128 CA GLU A 9 -2.342 -2.151 9.371 1.00 0.00 C ATOM 129 C GLU A 9 -1.844 -3.052 8.240 1.00 0.00 C ATOM 130 O GLU A 9 -0.821 -3.724 8.375 1.00 0.00 O ATOM 131 CB GLU A 9 -3.019 -2.994 10.458 1.00 0.00 C ATOM 132 CG GLU A 9 -4.047 -3.979 9.924 1.00 0.00 C ATOM 133 CD GLU A 9 -3.678 -5.422 10.211 1.00 0.00 C ATOM 134 OE1 GLU A 9 -4.018 -5.914 11.307 1.00 0.00 O ATOM 135 OE2 GLU A 9 -3.050 -6.059 9.339 1.00 0.00 O ATOM 0 H GLU A 9 -4.235 -1.272 9.155 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.479 -1.641 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.254 -3.544 11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.505 -2.328 11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.018 -3.761 10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.151 -3.842 8.848 1.00 0.00 H new ATOM 142 N LYS A 10 -2.578 -3.070 7.132 1.00 0.00 N ATOM 143 CA LYS A 10 -2.216 -3.896 5.985 1.00 0.00 C ATOM 144 C LYS A 10 -0.964 -3.367 5.290 1.00 0.00 C ATOM 145 O LYS A 10 -0.001 -4.103 5.086 1.00 0.00 O ATOM 146 CB LYS A 10 -3.380 -3.955 4.993 1.00 0.00 C ATOM 147 CG LYS A 10 -3.905 -5.361 4.752 1.00 0.00 C ATOM 148 CD LYS A 10 -3.304 -5.975 3.496 1.00 0.00 C ATOM 149 CE LYS A 10 -2.537 -7.251 3.809 1.00 0.00 C ATOM 150 NZ LYS A 10 -1.072 -7.005 3.917 1.00 0.00 N ATOM 0 H LYS A 10 -3.428 -2.521 7.004 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.999 -4.900 6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.194 -3.331 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.058 -3.529 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.673 -5.989 5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.991 -5.334 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.097 -6.193 2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.636 -5.255 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.904 -7.675 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.725 -7.988 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.646 -7.715 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.638 -7.073 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.907 -6.055 4.306 1.00 0.00 H new ATOM 164 N VAL A 11 -0.992 -2.091 4.921 1.00 0.00 N ATOM 165 CA VAL A 11 0.136 -1.465 4.238 1.00 0.00 C ATOM 166 C VAL A 11 1.359 -1.367 5.141 1.00 0.00 C ATOM 167 O VAL A 11 2.490 -1.384 4.667 1.00 0.00 O ATOM 168 CB VAL A 11 -0.225 -0.058 3.723 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.880 0.486 2.830 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.555 -0.085 2.986 1.00 0.00 C ATOM 0 H VAL A 11 -1.784 -1.469 5.083 1.00 0.00 H new ATOM 0 HA VAL A 11 0.375 -2.106 3.389 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.325 0.608 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.606 1.480 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.809 0.546 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.017 -0.177 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.794 0.917 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.487 -0.766 2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.339 -0.426 3.662 1.00 0.00 H new ATOM 180 N LYS A 12 1.122 -1.259 6.441 1.00 0.00 N ATOM 181 CA LYS A 12 2.205 -1.157 7.416 1.00 0.00 C ATOM 182 C LYS A 12 3.109 -2.381 7.344 1.00 0.00 C ATOM 183 O LYS A 12 4.328 -2.276 7.479 1.00 0.00 O ATOM 184 CB LYS A 12 1.639 -1.005 8.829 1.00 0.00 C ATOM 185 CG LYS A 12 2.706 -0.878 9.905 1.00 0.00 C ATOM 186 CD LYS A 12 2.205 -0.070 11.092 1.00 0.00 C ATOM 187 CE LYS A 12 2.535 -0.752 12.412 1.00 0.00 C ATOM 188 NZ LYS A 12 1.597 -0.349 13.496 1.00 0.00 N ATOM 0 H LYS A 12 0.187 -1.240 6.848 1.00 0.00 H new ATOM 0 HA LYS A 12 2.797 -0.273 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.997 -0.125 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.010 -1.866 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.007 -1.871 10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.592 -0.401 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.654 0.923 11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.127 0.066 11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.496 -1.833 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.555 -0.503 12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.856 -0.835 14.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.653 0.680 13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.626 -0.609 13.229 1.00 0.00 H new ATOM 202 N ALA A 13 2.505 -3.538 7.103 1.00 0.00 N ATOM 203 CA ALA A 13 3.259 -4.781 6.979 1.00 0.00 C ATOM 204 C ALA A 13 3.857 -4.872 5.583 1.00 0.00 C ATOM 205 O ALA A 13 4.859 -5.549 5.354 1.00 0.00 O ATOM 206 CB ALA A 13 2.365 -5.979 7.260 1.00 0.00 C ATOM 0 H ALA A 13 1.497 -3.642 6.990 1.00 0.00 H new ATOM 0 HA ALA A 13 4.065 -4.786 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.945 -6.897 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.967 -5.907 8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.541 -5.993 6.547 1.00 0.00 H new ATOM 212 N LEU A 14 3.223 -4.160 4.659 1.00 0.00 N ATOM 213 CA LEU A 14 3.648 -4.105 3.272 1.00 0.00 C ATOM 214 C LEU A 14 5.011 -3.428 3.146 1.00 0.00 C ATOM 215 O LEU A 14 5.748 -3.664 2.189 1.00 0.00 O ATOM 216 CB LEU A 14 2.595 -3.340 2.469 1.00 0.00 C ATOM 217 CG LEU A 14 2.493 -3.713 0.989 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.059 -4.083 0.641 1.00 0.00 C ATOM 219 CD2 LEU A 14 2.977 -2.570 0.109 1.00 0.00 C ATOM 0 H LEU A 14 2.393 -3.601 4.856 1.00 0.00 H new ATOM 0 HA LEU A 14 3.747 -5.118 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.622 -3.501 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.811 -2.274 2.543 1.00 0.00 H new ATOM 0 HG LEU A 14 3.133 -4.576 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.997 -4.347 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.745 -4.933 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.405 -3.234 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.895 -2.858 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.365 -1.686 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.018 -2.346 0.344 1.00 0.00 H new ATOM 231 N GLU A 15 5.332 -2.577 4.118 1.00 0.00 N ATOM 232 CA GLU A 15 6.594 -1.849 4.125 1.00 0.00 C ATOM 233 C GLU A 15 7.748 -2.746 4.570 1.00 0.00 C ATOM 234 O GLU A 15 8.763 -2.850 3.882 1.00 0.00 O ATOM 235 CB GLU A 15 6.478 -0.627 5.045 1.00 0.00 C ATOM 236 CG GLU A 15 7.805 0.058 5.334 1.00 0.00 C ATOM 237 CD GLU A 15 7.639 1.334 6.137 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.776 1.359 7.040 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.373 2.307 5.864 1.00 0.00 O ATOM 0 H GLU A 15 4.729 -2.375 4.916 1.00 0.00 H new ATOM 0 HA GLU A 15 6.808 -1.516 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.800 0.095 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.028 -0.937 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.453 -0.628 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.304 0.288 4.393 1.00 0.00 H new ATOM 246 N GLU A 16 7.588 -3.390 5.723 1.00 0.00 N ATOM 247 CA GLU A 16 8.622 -4.274 6.254 1.00 0.00 C ATOM 248 C GLU A 16 9.094 -5.270 5.196 1.00 0.00 C ATOM 249 O GLU A 16 10.235 -5.729 5.225 1.00 0.00 O ATOM 250 CB GLU A 16 8.102 -5.025 7.481 1.00 0.00 C ATOM 251 CG GLU A 16 6.836 -5.821 7.217 1.00 0.00 C ATOM 252 CD GLU A 16 6.616 -6.922 8.236 1.00 0.00 C ATOM 253 OE1 GLU A 16 7.615 -7.427 8.789 1.00 0.00 O ATOM 254 OE2 GLU A 16 5.444 -7.278 8.480 1.00 0.00 O ATOM 0 H GLU A 16 6.755 -3.317 6.306 1.00 0.00 H new ATOM 0 HA GLU A 16 9.471 -3.656 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.878 -5.702 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.911 -4.309 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.979 -5.147 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.888 -6.259 6.220 1.00 0.00 H new ATOM 261 N LYS A 17 8.206 -5.595 4.261 1.00 0.00 N ATOM 262 CA LYS A 17 8.530 -6.532 3.191 1.00 0.00 C ATOM 263 C LYS A 17 9.409 -5.872 2.133 1.00 0.00 C ATOM 264 O LYS A 17 10.370 -6.470 1.647 1.00 0.00 O ATOM 265 CB LYS A 17 7.249 -7.065 2.547 1.00 0.00 C ATOM 266 CG LYS A 17 7.388 -8.471 1.987 1.00 0.00 C ATOM 267 CD LYS A 17 6.154 -9.311 2.276 1.00 0.00 C ATOM 268 CE LYS A 17 4.933 -8.780 1.542 1.00 0.00 C ATOM 269 NZ LYS A 17 5.174 -8.661 0.077 1.00 0.00 N ATOM 0 H LYS A 17 7.257 -5.223 4.223 1.00 0.00 H new ATOM 0 HA LYS A 17 9.083 -7.364 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.449 -7.055 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.949 -6.391 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.551 -8.420 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.266 -8.951 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.338 -10.343 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.960 -9.318 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.087 -9.444 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.662 -7.804 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.269 -8.732 -0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.615 -7.742 -0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.806 -9.426 -0.234 1.00 0.00 H new ATOM 283 N VAL A 18 9.072 -4.637 1.776 1.00 0.00 N ATOM 284 CA VAL A 18 9.827 -3.896 0.771 1.00 0.00 C ATOM 285 C VAL A 18 11.138 -3.364 1.339 1.00 0.00 C ATOM 286 O VAL A 18 12.197 -3.520 0.730 1.00 0.00 O ATOM 287 CB VAL A 18 9.020 -2.712 0.220 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.710 -2.116 -0.998 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.595 -3.136 -0.112 1.00 0.00 C ATOM 0 H VAL A 18 8.280 -4.127 2.168 1.00 0.00 H new ATOM 0 HA VAL A 18 10.037 -4.599 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 18 8.969 -1.943 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.123 -1.278 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.704 -1.767 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.798 -2.876 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.042 -2.281 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.616 -3.926 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.106 -3.505 0.789 1.00 0.00 H new ATOM 299 N LYS A 19 11.061 -2.729 2.505 1.00 0.00 N ATOM 300 CA LYS A 19 12.243 -2.165 3.150 1.00 0.00 C ATOM 301 C LYS A 19 13.375 -3.189 3.226 1.00 0.00 C ATOM 302 O LYS A 19 14.552 -2.834 3.160 1.00 0.00 O ATOM 303 CB LYS A 19 11.895 -1.669 4.554 1.00 0.00 C ATOM 304 CG LYS A 19 11.187 -0.323 4.563 1.00 0.00 C ATOM 305 CD LYS A 19 11.960 0.713 5.363 1.00 0.00 C ATOM 306 CE LYS A 19 11.490 0.764 6.808 1.00 0.00 C ATOM 307 NZ LYS A 19 12.128 -0.294 7.639 1.00 0.00 N ATOM 0 H LYS A 19 10.193 -2.592 3.023 1.00 0.00 H new ATOM 0 HA LYS A 19 12.584 -1.324 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.261 -2.407 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.810 -1.593 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.060 0.028 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.189 -0.439 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.024 0.478 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.838 1.694 4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.718 1.743 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.407 0.647 6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.780 -0.224 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.890 -1.230 7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.160 -0.168 7.629 1.00 0.00 H new ATOM 321 N ALA A 20 13.009 -4.459 3.365 1.00 0.00 N ATOM 322 CA ALA A 20 13.994 -5.534 3.449 1.00 0.00 C ATOM 323 C ALA A 20 14.314 -6.108 2.069 1.00 0.00 C ATOM 324 O ALA A 20 15.261 -6.879 1.913 1.00 0.00 O ATOM 325 CB ALA A 20 13.492 -6.633 4.375 1.00 0.00 C ATOM 0 H ALA A 20 12.039 -4.770 3.422 1.00 0.00 H new ATOM 0 HA ALA A 20 14.914 -5.116 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.234 -7.429 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.326 -6.222 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.556 -7.036 3.988 1.00 0.00 H new ATOM 331 N LEU A 21 13.522 -5.727 1.072 1.00 0.00 N ATOM 332 CA LEU A 21 13.717 -6.198 -0.290 1.00 0.00 C ATOM 333 C LEU A 21 15.058 -5.726 -0.842 1.00 0.00 C ATOM 334 O LEU A 21 15.691 -4.831 -0.282 1.00 0.00 O ATOM 335 CB LEU A 21 12.575 -5.693 -1.174 1.00 0.00 C ATOM 336 CG LEU A 21 11.954 -6.736 -2.104 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.496 -6.403 -2.378 1.00 0.00 C ATOM 338 CD2 LEU A 21 12.736 -6.826 -3.408 1.00 0.00 C ATOM 0 H LEU A 21 12.734 -5.089 1.186 1.00 0.00 H new ATOM 0 HA LEU A 21 13.718 -7.288 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.791 -5.292 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.946 -4.866 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 21 11.999 -7.707 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.069 -7.155 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.943 -6.392 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.429 -5.423 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.278 -7.574 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.724 -5.857 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.766 -7.112 -3.195 1.00 0.00 H new ATOM 350 N GLY A 22 15.484 -6.332 -1.944 1.00 0.00 N ATOM 351 CA GLY A 22 16.747 -5.960 -2.555 1.00 0.00 C ATOM 352 C GLY A 22 16.694 -4.591 -3.205 1.00 0.00 C ATOM 353 O GLY A 22 16.378 -3.597 -2.551 1.00 0.00 O ATOM 0 H GLY A 22 14.977 -7.075 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.531 -5.969 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.018 -6.704 -3.304 1.00 0.00 H new ATOM 357 N GLY A 23 17.002 -4.539 -4.497 1.00 0.00 N ATOM 358 CA GLY A 23 16.982 -3.277 -5.214 1.00 0.00 C ATOM 359 C GLY A 23 17.160 -3.457 -6.709 1.00 0.00 C ATOM 360 O GLY A 23 18.135 -4.062 -7.156 1.00 0.00 O ATOM 0 H GLY A 23 17.265 -5.348 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.037 -2.769 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.774 -2.633 -4.832 1.00 0.00 H new ATOM 364 N GLY A 24 16.215 -2.934 -7.484 1.00 0.00 N ATOM 365 CA GLY A 24 16.291 -3.052 -8.928 1.00 0.00 C ATOM 366 C GLY A 24 15.484 -1.986 -9.642 1.00 0.00 C ATOM 367 O GLY A 24 15.838 -0.807 -9.615 1.00 0.00 O ATOM 0 H GLY A 24 15.398 -2.431 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.333 -2.984 -9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.932 -4.036 -9.228 1.00 0.00 H new ATOM 371 N GLY A 25 14.396 -2.401 -10.283 1.00 0.00 N ATOM 372 CA GLY A 25 13.553 -1.461 -10.999 1.00 0.00 C ATOM 373 C GLY A 25 12.127 -1.448 -10.485 1.00 0.00 C ATOM 374 O GLY A 25 11.616 -0.403 -10.080 1.00 0.00 O ATOM 0 H GLY A 25 14.083 -3.371 -10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.976 -0.460 -10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.551 -1.715 -12.059 1.00 0.00 H new ATOM 378 N ARG A 26 11.483 -2.610 -10.498 1.00 0.00 N ATOM 379 CA ARG A 26 10.106 -2.727 -10.030 1.00 0.00 C ATOM 380 C ARG A 26 9.977 -2.253 -8.584 1.00 0.00 C ATOM 381 O ARG A 26 8.915 -1.797 -8.164 1.00 0.00 O ATOM 382 CB ARG A 26 9.616 -4.176 -10.159 1.00 0.00 C ATOM 383 CG ARG A 26 10.170 -5.115 -9.097 1.00 0.00 C ATOM 384 CD ARG A 26 11.669 -5.310 -9.253 1.00 0.00 C ATOM 385 NE ARG A 26 12.141 -6.519 -8.581 1.00 0.00 N ATOM 386 CZ ARG A 26 12.107 -7.734 -9.124 1.00 0.00 C ATOM 387 NH1 ARG A 26 11.615 -7.912 -10.344 1.00 0.00 N ATOM 388 NH2 ARG A 26 12.562 -8.776 -8.442 1.00 0.00 N ATOM 0 H ARG A 26 11.892 -3.484 -10.827 1.00 0.00 H new ATOM 0 HA ARG A 26 9.483 -2.088 -10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.527 -4.186 -10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.891 -4.555 -11.143 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.955 -4.713 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.668 -6.080 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.918 -5.364 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.191 -4.443 -8.847 1.00 0.00 H new ATOM 0 HE ARG A 26 12.520 -6.426 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.260 -7.115 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.592 -8.846 -10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.937 -8.646 -7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.537 -9.708 -8.857 1.00 0.00 H new ATOM 402 N ILE A 27 11.064 -2.369 -7.829 1.00 0.00 N ATOM 403 CA ILE A 27 11.072 -1.957 -6.432 1.00 0.00 C ATOM 404 C ILE A 27 10.935 -0.443 -6.298 1.00 0.00 C ATOM 405 O ILE A 27 10.404 0.056 -5.307 1.00 0.00 O ATOM 406 CB ILE A 27 12.361 -2.414 -5.718 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.547 -3.925 -5.874 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.326 -2.028 -4.244 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.924 -4.409 -5.475 1.00 0.00 C ATOM 0 H ILE A 27 11.951 -2.746 -8.162 1.00 0.00 H new ATOM 0 HA ILE A 27 10.215 -2.435 -5.959 1.00 0.00 H new ATOM 0 HB ILE A 27 13.209 -1.910 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.801 -4.439 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.361 -4.201 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.244 -2.360 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.238 -0.945 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.470 -2.503 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.984 -5.489 -5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.675 -3.922 -6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.106 -4.165 -4.428 1.00 0.00 H new ATOM 421 N GLU A 28 11.428 0.283 -7.297 1.00 0.00 N ATOM 422 CA GLU A 28 11.371 1.741 -7.285 1.00 0.00 C ATOM 423 C GLU A 28 9.933 2.250 -7.376 1.00 0.00 C ATOM 424 O GLU A 28 9.483 3.010 -6.522 1.00 0.00 O ATOM 425 CB GLU A 28 12.195 2.310 -8.442 1.00 0.00 C ATOM 426 CG GLU A 28 13.683 2.020 -8.330 1.00 0.00 C ATOM 427 CD GLU A 28 14.538 3.193 -8.768 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.093 4.347 -8.604 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.655 2.956 -9.275 1.00 0.00 O ATOM 0 H GLU A 28 11.871 -0.115 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 28 11.789 2.080 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.823 1.897 -9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.046 3.389 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.923 1.765 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.927 1.149 -8.939 1.00 0.00 H new ATOM 436 N GLU A 29 9.221 1.834 -8.419 1.00 0.00 N ATOM 437 CA GLU A 29 7.838 2.259 -8.620 1.00 0.00 C ATOM 438 C GLU A 29 6.955 1.849 -7.443 1.00 0.00 C ATOM 439 O GLU A 29 5.943 2.490 -7.163 1.00 0.00 O ATOM 440 CB GLU A 29 7.285 1.664 -9.918 1.00 0.00 C ATOM 441 CG GLU A 29 5.806 1.946 -10.141 1.00 0.00 C ATOM 442 CD GLU A 29 5.513 3.424 -10.311 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.647 3.930 -11.446 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.151 4.077 -9.310 1.00 0.00 O ATOM 0 H GLU A 29 9.577 1.204 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 29 7.829 3.347 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.852 2.062 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.442 0.585 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.467 1.408 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.235 1.561 -9.296 1.00 0.00 H new ATOM 451 N LEU A 30 7.337 0.775 -6.767 1.00 0.00 N ATOM 452 CA LEU A 30 6.574 0.275 -5.630 1.00 0.00 C ATOM 453 C LEU A 30 6.844 1.087 -4.367 1.00 0.00 C ATOM 454 O LEU A 30 6.046 1.078 -3.433 1.00 0.00 O ATOM 455 CB LEU A 30 6.900 -1.199 -5.381 1.00 0.00 C ATOM 456 CG LEU A 30 6.475 -2.150 -6.499 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.071 -3.532 -6.280 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.959 -2.229 -6.581 1.00 0.00 C ATOM 0 H LEU A 30 8.172 0.232 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 30 5.517 0.377 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.975 -1.298 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.417 -1.511 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 30 6.852 -1.761 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.757 -4.195 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.159 -3.462 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.725 -3.931 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.673 -2.910 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.562 -2.595 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.554 -1.238 -6.785 1.00 0.00 H new ATOM 470 N LYS A 31 7.979 1.777 -4.336 1.00 0.00 N ATOM 471 CA LYS A 31 8.354 2.581 -3.177 1.00 0.00 C ATOM 472 C LYS A 31 7.564 3.885 -3.115 1.00 0.00 C ATOM 473 O LYS A 31 6.878 4.153 -2.136 1.00 0.00 O ATOM 474 CB LYS A 31 9.854 2.881 -3.210 1.00 0.00 C ATOM 475 CG LYS A 31 10.337 3.714 -2.034 1.00 0.00 C ATOM 476 CD LYS A 31 11.690 3.236 -1.532 1.00 0.00 C ATOM 477 CE LYS A 31 11.543 2.093 -0.541 1.00 0.00 C ATOM 478 NZ LYS A 31 11.240 0.803 -1.222 1.00 0.00 N ATOM 0 H LYS A 31 8.655 1.796 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 31 8.117 2.004 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.403 1.940 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.090 3.405 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.407 4.760 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.608 3.661 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.299 2.911 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.217 4.064 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.462 1.992 0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.747 2.326 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.615 0.015 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.210 0.697 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.683 0.795 -2.163 1.00 0.00 H new ATOM 492 N LYS A 32 7.673 4.699 -4.159 1.00 0.00 N ATOM 493 CA LYS A 32 6.977 5.984 -4.214 1.00 0.00 C ATOM 494 C LYS A 32 5.484 5.836 -3.910 1.00 0.00 C ATOM 495 O LYS A 32 4.907 6.643 -3.182 1.00 0.00 O ATOM 496 CB LYS A 32 7.166 6.623 -5.592 1.00 0.00 C ATOM 497 CG LYS A 32 7.814 7.996 -5.544 1.00 0.00 C ATOM 498 CD LYS A 32 7.874 8.633 -6.923 1.00 0.00 C ATOM 499 CE LYS A 32 7.638 10.132 -6.855 1.00 0.00 C ATOM 500 NZ LYS A 32 6.871 10.628 -8.032 1.00 0.00 N ATOM 0 H LYS A 32 8.238 4.493 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 32 7.410 6.627 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.778 5.964 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.195 6.706 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.252 8.641 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.822 7.910 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.847 8.437 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.125 8.175 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.096 10.373 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.597 10.648 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.731 11.655 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.400 10.421 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.946 10.154 -8.068 1.00 0.00 H new ATOM 514 N LYS A 33 4.866 4.810 -4.483 1.00 0.00 N ATOM 515 CA LYS A 33 3.440 4.563 -4.290 1.00 0.00 C ATOM 516 C LYS A 33 3.141 3.981 -2.908 1.00 0.00 C ATOM 517 O LYS A 33 2.025 4.103 -2.407 1.00 0.00 O ATOM 518 CB LYS A 33 2.916 3.620 -5.376 1.00 0.00 C ATOM 519 CG LYS A 33 1.892 4.263 -6.297 1.00 0.00 C ATOM 520 CD LYS A 33 0.921 3.236 -6.857 1.00 0.00 C ATOM 521 CE LYS A 33 0.094 2.588 -5.757 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.346 2.956 -5.855 1.00 0.00 N ATOM 0 H LYS A 33 5.331 4.133 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 33 2.930 5.524 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.756 3.264 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.468 2.746 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.339 5.027 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.404 4.766 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.258 3.716 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.475 2.468 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.197 1.504 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.481 2.892 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.927 2.194 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.516 3.837 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.602 3.094 -6.854 1.00 0.00 H new ATOM 536 N CYS A 34 4.129 3.324 -2.312 1.00 0.00 N ATOM 537 CA CYS A 34 3.957 2.699 -1.001 1.00 0.00 C ATOM 538 C CYS A 34 3.659 3.722 0.096 1.00 0.00 C ATOM 539 O CYS A 34 2.645 3.625 0.787 1.00 0.00 O ATOM 540 CB CYS A 34 5.223 1.919 -0.637 1.00 0.00 C ATOM 541 SG CYS A 34 4.933 0.166 -0.239 1.00 0.00 S ATOM 0 H CYS A 34 5.059 3.209 -2.714 1.00 0.00 H new ATOM 0 HA CYS A 34 3.100 2.028 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.925 1.980 -1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.699 2.400 0.218 1.00 0.00 H new ATOM 546 N GLU A 35 4.560 4.685 0.270 1.00 0.00 N ATOM 547 CA GLU A 35 4.400 5.705 1.303 1.00 0.00 C ATOM 548 C GLU A 35 3.244 6.649 0.995 1.00 0.00 C ATOM 549 O GLU A 35 2.428 6.938 1.865 1.00 0.00 O ATOM 550 CB GLU A 35 5.695 6.500 1.477 1.00 0.00 C ATOM 551 CG GLU A 35 6.282 6.989 0.167 1.00 0.00 C ATOM 552 CD GLU A 35 6.579 8.477 0.176 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.525 8.889 0.880 1.00 0.00 O ATOM 554 OE2 GLU A 35 5.866 9.228 -0.521 1.00 0.00 O ATOM 0 H GLU A 35 5.407 4.781 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 35 4.169 5.189 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.503 7.357 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.430 5.876 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.201 6.441 -0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.587 6.766 -0.643 1.00 0.00 H new ATOM 561 N GLU A 36 3.175 7.127 -0.242 1.00 0.00 N ATOM 562 CA GLU A 36 2.111 8.038 -0.650 1.00 0.00 C ATOM 563 C GLU A 36 0.739 7.442 -0.346 1.00 0.00 C ATOM 564 O GLU A 36 -0.235 8.165 -0.132 1.00 0.00 O ATOM 565 CB GLU A 36 2.226 8.355 -2.142 1.00 0.00 C ATOM 566 CG GLU A 36 1.622 9.695 -2.527 1.00 0.00 C ATOM 567 CD GLU A 36 0.771 9.614 -3.780 1.00 0.00 C ATOM 568 OE1 GLU A 36 -0.432 9.301 -3.659 1.00 0.00 O ATOM 569 OE2 GLU A 36 1.309 9.862 -4.879 1.00 0.00 O ATOM 0 H GLU A 36 3.842 6.900 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 36 2.219 8.962 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.278 8.345 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.734 7.567 -2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.013 10.065 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.422 10.419 -2.682 1.00 0.00 H new ATOM 576 N LEU A 37 0.675 6.118 -0.345 1.00 0.00 N ATOM 577 CA LEU A 37 -0.564 5.396 -0.085 1.00 0.00 C ATOM 578 C LEU A 37 -0.983 5.510 1.382 1.00 0.00 C ATOM 579 O LEU A 37 -2.159 5.701 1.686 1.00 0.00 O ATOM 580 CB LEU A 37 -0.387 3.925 -0.479 1.00 0.00 C ATOM 581 CG LEU A 37 -1.443 2.955 0.055 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.848 3.484 -0.201 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.269 1.582 -0.577 1.00 0.00 C ATOM 0 H LEU A 37 1.478 5.515 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.357 5.843 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.379 3.859 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.591 3.592 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.307 2.864 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.580 2.776 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.972 4.445 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.000 3.610 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.027 0.903 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.376 1.663 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.278 1.195 -0.339 1.00 0.00 H new ATOM 595 N LYS A 38 -0.017 5.380 2.286 1.00 0.00 N ATOM 596 CA LYS A 38 -0.293 5.455 3.719 1.00 0.00 C ATOM 597 C LYS A 38 -0.908 6.799 4.109 1.00 0.00 C ATOM 598 O LYS A 38 -2.003 6.851 4.669 1.00 0.00 O ATOM 599 CB LYS A 38 0.994 5.225 4.514 1.00 0.00 C ATOM 600 CG LYS A 38 1.197 3.780 4.937 1.00 0.00 C ATOM 601 CD LYS A 38 0.996 3.601 6.433 1.00 0.00 C ATOM 602 CE LYS A 38 2.324 3.528 7.170 1.00 0.00 C ATOM 603 NZ LYS A 38 2.800 4.874 7.593 1.00 0.00 N ATOM 0 H LYS A 38 0.963 5.222 2.053 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.016 4.675 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.845 5.541 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.980 5.856 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.499 3.141 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.202 3.458 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.407 4.431 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.426 2.691 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.218 2.889 8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.071 3.065 6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.708 4.780 8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.926 5.477 6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.099 5.306 8.228 1.00 0.00 H new ATOM 617 N LYS A 39 -0.192 7.882 3.821 1.00 0.00 N ATOM 618 CA LYS A 39 -0.659 9.226 4.150 1.00 0.00 C ATOM 619 C LYS A 39 -2.077 9.470 3.641 1.00 0.00 C ATOM 620 O LYS A 39 -2.816 10.275 4.204 1.00 0.00 O ATOM 621 CB LYS A 39 0.296 10.275 3.570 1.00 0.00 C ATOM 622 CG LYS A 39 0.232 10.393 2.056 1.00 0.00 C ATOM 623 CD LYS A 39 1.580 10.781 1.472 1.00 0.00 C ATOM 624 CE LYS A 39 2.043 12.132 1.992 1.00 0.00 C ATOM 625 NZ LYS A 39 3.514 12.307 1.852 1.00 0.00 N ATOM 0 H LYS A 39 0.717 7.855 3.359 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.675 9.314 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.066 11.245 4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.316 10.026 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.091 9.444 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.514 11.138 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.319 10.020 1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.511 10.812 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.530 12.925 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.764 12.232 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.789 13.241 2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.005 11.565 2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.778 12.237 0.848 1.00 0.00 H new ATOM 639 N LYS A 40 -2.449 8.777 2.569 1.00 0.00 N ATOM 640 CA LYS A 40 -3.777 8.927 1.986 1.00 0.00 C ATOM 641 C LYS A 40 -4.840 8.248 2.846 1.00 0.00 C ATOM 642 O LYS A 40 -6.007 8.637 2.821 1.00 0.00 O ATOM 643 CB LYS A 40 -3.804 8.348 0.571 1.00 0.00 C ATOM 644 CG LYS A 40 -4.701 9.120 -0.386 1.00 0.00 C ATOM 645 CD LYS A 40 -3.999 9.417 -1.703 1.00 0.00 C ATOM 646 CE LYS A 40 -3.908 10.913 -1.964 1.00 0.00 C ATOM 647 NZ LYS A 40 -4.946 11.371 -2.929 1.00 0.00 N ATOM 0 H LYS A 40 -1.850 8.107 2.087 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.003 9.992 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.789 8.334 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.142 7.313 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.607 8.545 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.010 10.056 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.997 8.988 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.538 8.937 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.022 11.453 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.919 11.155 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.851 12.395 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.822 10.874 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.891 11.164 -2.547 1.00 0.00 H new ATOM 661 N ILE A 41 -4.433 7.237 3.609 1.00 0.00 N ATOM 662 CA ILE A 41 -5.362 6.518 4.476 1.00 0.00 C ATOM 663 C ILE A 41 -5.779 7.387 5.656 1.00 0.00 C ATOM 664 O ILE A 41 -6.965 7.646 5.860 1.00 0.00 O ATOM 665 CB ILE A 41 -4.751 5.207 5.004 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.076 4.437 3.865 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.824 4.356 5.668 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.580 3.064 4.266 1.00 0.00 C ATOM 0 H ILE A 41 -3.471 6.898 3.645 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.237 6.275 3.873 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.993 5.448 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.782 4.332 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.236 5.022 3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.379 3.432 6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.261 4.906 6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.602 4.119 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.114 2.580 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.849 3.161 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.419 2.460 4.611 1.00 0.00 H new ATOM 680 N GLU A 42 -4.799 7.852 6.423 1.00 0.00 N ATOM 681 CA GLU A 42 -5.076 8.711 7.567 1.00 0.00 C ATOM 682 C GLU A 42 -5.778 9.986 7.106 1.00 0.00 C ATOM 683 O GLU A 42 -6.487 10.636 7.875 1.00 0.00 O ATOM 684 CB GLU A 42 -3.779 9.058 8.302 1.00 0.00 C ATOM 685 CG GLU A 42 -3.889 8.954 9.814 1.00 0.00 C ATOM 686 CD GLU A 42 -2.632 8.396 10.454 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.922 7.616 9.785 1.00 0.00 O ATOM 688 OE2 GLU A 42 -2.358 8.740 11.622 1.00 0.00 O ATOM 0 H GLU A 42 -3.810 7.649 6.274 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.731 8.176 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.987 8.393 7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.481 10.073 8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.096 9.941 10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.736 8.317 10.070 1.00 0.00 H new ATOM 695 N GLU A 43 -5.572 10.328 5.837 1.00 0.00 N ATOM 696 CA GLU A 43 -6.175 11.514 5.243 1.00 0.00 C ATOM 697 C GLU A 43 -7.574 11.213 4.706 1.00 0.00 C ATOM 698 O GLU A 43 -8.333 12.126 4.383 1.00 0.00 O ATOM 699 CB GLU A 43 -5.283 12.032 4.113 1.00 0.00 C ATOM 700 CG GLU A 43 -4.174 12.952 4.590 1.00 0.00 C ATOM 701 CD GLU A 43 -4.702 14.213 5.245 1.00 0.00 C ATOM 702 OE1 GLU A 43 -5.769 14.703 4.816 1.00 0.00 O ATOM 703 OE2 GLU A 43 -4.050 14.711 6.186 1.00 0.00 O ATOM 0 H GLU A 43 -4.986 9.793 5.196 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.267 12.276 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.841 11.183 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.900 12.565 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.543 12.416 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.543 13.224 3.743 1.00 0.00 H new ATOM 710 N LEU A 44 -7.908 9.928 4.610 1.00 0.00 N ATOM 711 CA LEU A 44 -9.212 9.511 4.109 1.00 0.00 C ATOM 712 C LEU A 44 -10.310 9.827 5.120 1.00 0.00 C ATOM 713 O LEU A 44 -10.035 10.092 6.290 1.00 0.00 O ATOM 714 CB LEU A 44 -9.201 8.011 3.795 1.00 0.00 C ATOM 715 CG LEU A 44 -9.314 7.656 2.313 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.365 6.148 2.131 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.541 8.313 1.700 1.00 0.00 C ATOM 0 H LEU A 44 -7.292 9.159 4.873 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.420 10.065 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.279 7.581 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.025 7.538 4.329 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.431 8.034 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.445 5.912 1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.456 5.702 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.230 5.747 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.606 8.049 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.436 7.966 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.462 9.396 1.799 1.00 0.00 H new ATOM 729 N GLY A 45 -11.557 9.798 4.660 1.00 0.00 N ATOM 730 CA GLY A 45 -12.678 10.083 5.536 1.00 0.00 C ATOM 731 C GLY A 45 -13.427 8.830 5.947 1.00 0.00 C ATOM 732 O GLY A 45 -12.966 8.078 6.806 1.00 0.00 O ATOM 0 H GLY A 45 -11.811 9.582 3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.317 10.596 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.364 10.764 5.033 1.00 0.00 H new ATOM 736 N GLY A 46 -14.585 8.607 5.334 1.00 0.00 N ATOM 737 CA GLY A 46 -15.380 7.437 5.656 1.00 0.00 C ATOM 738 C GLY A 46 -16.372 7.088 4.564 1.00 0.00 C ATOM 739 O GLY A 46 -17.158 7.934 4.137 1.00 0.00 O ATOM 0 H GLY A 46 -14.987 9.215 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.718 6.588 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.918 7.613 6.588 1.00 0.00 H new ATOM 743 N GLY A 47 -16.336 5.838 4.112 1.00 0.00 N ATOM 744 CA GLY A 47 -17.245 5.399 3.068 1.00 0.00 C ATOM 745 C GLY A 47 -17.040 6.145 1.765 1.00 0.00 C ATOM 746 O GLY A 47 -16.734 7.338 1.765 1.00 0.00 O ATOM 0 H GLY A 47 -15.694 5.121 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.107 4.331 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.273 5.538 3.404 1.00 0.00 H new ATOM 750 N GLY A 48 -17.209 5.443 0.649 1.00 0.00 N ATOM 751 CA GLY A 48 -17.039 6.062 -0.652 1.00 0.00 C ATOM 752 C GLY A 48 -15.586 6.138 -1.077 1.00 0.00 C ATOM 753 O GLY A 48 -15.076 5.233 -1.736 1.00 0.00 O ATOM 0 H GLY A 48 -17.461 4.455 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.602 5.497 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.460 7.067 -0.630 1.00 0.00 H new ATOM 757 N GLU A 49 -14.918 7.226 -0.702 1.00 0.00 N ATOM 758 CA GLU A 49 -13.516 7.422 -1.052 1.00 0.00 C ATOM 759 C GLU A 49 -12.654 6.269 -0.542 1.00 0.00 C ATOM 760 O GLU A 49 -11.611 5.961 -1.117 1.00 0.00 O ATOM 761 CB GLU A 49 -13.005 8.744 -0.477 1.00 0.00 C ATOM 762 CG GLU A 49 -11.790 9.295 -1.206 1.00 0.00 C ATOM 763 CD GLU A 49 -11.343 10.638 -0.662 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.152 11.590 -0.693 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.185 10.738 -0.205 1.00 0.00 O ATOM 0 H GLU A 49 -15.326 7.985 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.444 7.451 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.807 9.481 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.754 8.601 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.969 8.583 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.022 9.396 -2.266 1.00 0.00 H new ATOM 772 N VAL A 50 -13.098 5.635 0.539 1.00 0.00 N ATOM 773 CA VAL A 50 -12.365 4.516 1.123 1.00 0.00 C ATOM 774 C VAL A 50 -12.113 3.418 0.093 1.00 0.00 C ATOM 775 O VAL A 50 -11.170 2.637 0.225 1.00 0.00 O ATOM 776 CB VAL A 50 -13.121 3.915 2.323 1.00 0.00 C ATOM 777 CG1 VAL A 50 -12.275 2.858 3.016 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.524 5.009 3.300 1.00 0.00 C ATOM 0 H VAL A 50 -13.960 5.876 1.028 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.409 4.912 1.465 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.027 3.435 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.827 2.446 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.041 2.060 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.349 3.309 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -14.057 4.567 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.632 5.519 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.172 5.726 2.796 1.00 0.00 H new ATOM 788 N LYS A 51 -12.958 3.363 -0.931 1.00 0.00 N ATOM 789 CA LYS A 51 -12.823 2.360 -1.980 1.00 0.00 C ATOM 790 C LYS A 51 -11.679 2.712 -2.927 1.00 0.00 C ATOM 791 O LYS A 51 -11.058 1.831 -3.520 1.00 0.00 O ATOM 792 CB LYS A 51 -14.129 2.235 -2.766 1.00 0.00 C ATOM 793 CG LYS A 51 -14.399 0.829 -3.282 1.00 0.00 C ATOM 794 CD LYS A 51 -14.795 0.838 -4.750 1.00 0.00 C ATOM 795 CE LYS A 51 -13.597 0.577 -5.650 1.00 0.00 C ATOM 796 NZ LYS A 51 -13.969 0.605 -7.091 1.00 0.00 N ATOM 0 H LYS A 51 -13.744 4.001 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.598 1.404 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.958 2.544 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.102 2.924 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.509 0.215 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.194 0.371 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.557 0.079 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.239 1.801 -5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.829 1.326 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.164 -0.393 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.125 0.423 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.683 -0.127 -7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.359 1.539 -7.331 1.00 0.00 H new ATOM 810 N LYS A 52 -11.406 4.006 -3.065 1.00 0.00 N ATOM 811 CA LYS A 52 -10.337 4.474 -3.941 1.00 0.00 C ATOM 812 C LYS A 52 -8.970 4.057 -3.402 1.00 0.00 C ATOM 813 O LYS A 52 -8.203 3.383 -4.087 1.00 0.00 O ATOM 814 CB LYS A 52 -10.404 5.998 -4.086 1.00 0.00 C ATOM 815 CG LYS A 52 -9.209 6.601 -4.808 1.00 0.00 C ATOM 816 CD LYS A 52 -9.170 6.182 -6.270 1.00 0.00 C ATOM 817 CE LYS A 52 -9.619 7.308 -7.186 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.466 8.074 -7.734 1.00 0.00 N ATOM 0 H LYS A 52 -11.910 4.749 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.472 4.016 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.313 6.262 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.480 6.445 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.253 7.688 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.289 6.288 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.157 5.878 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.812 5.314 -6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.204 6.895 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.274 7.983 -6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.816 8.832 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.922 8.490 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.853 7.436 -8.281 1.00 0.00 H new ATOM 832 N VAL A 53 -8.675 4.465 -2.173 1.00 0.00 N ATOM 833 CA VAL A 53 -7.402 4.135 -1.542 1.00 0.00 C ATOM 834 C VAL A 53 -7.248 2.627 -1.369 1.00 0.00 C ATOM 835 O VAL A 53 -6.132 2.111 -1.317 1.00 0.00 O ATOM 836 CB VAL A 53 -7.259 4.815 -0.167 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.863 4.598 0.397 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.576 6.300 -0.271 1.00 0.00 C ATOM 0 H VAL A 53 -9.300 5.025 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.619 4.505 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.975 4.360 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.783 5.086 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.679 3.530 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.125 5.022 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.470 6.764 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.887 6.771 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.599 6.430 -0.625 1.00 0.00 H new ATOM 848 N GLU A 54 -8.373 1.924 -1.281 1.00 0.00 N ATOM 849 CA GLU A 54 -8.357 0.475 -1.117 1.00 0.00 C ATOM 850 C GLU A 54 -7.805 -0.201 -2.368 1.00 0.00 C ATOM 851 O GLU A 54 -7.126 -1.225 -2.285 1.00 0.00 O ATOM 852 CB GLU A 54 -9.764 -0.044 -0.822 1.00 0.00 C ATOM 853 CG GLU A 54 -9.785 -1.441 -0.222 1.00 0.00 C ATOM 854 CD GLU A 54 -10.961 -1.659 0.709 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.531 -0.657 1.191 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.313 -2.831 0.958 1.00 0.00 O ATOM 0 H GLU A 54 -9.306 2.334 -1.320 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.708 0.235 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.260 0.644 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.342 -0.046 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.821 -2.177 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.857 -1.611 0.325 1.00 0.00 H new ATOM 863 N GLU A 55 -8.099 0.383 -3.524 1.00 0.00 N ATOM 864 CA GLU A 55 -7.631 -0.154 -4.797 1.00 0.00 C ATOM 865 C GLU A 55 -6.150 0.149 -5.001 1.00 0.00 C ATOM 866 O GLU A 55 -5.441 -0.589 -5.684 1.00 0.00 O ATOM 867 CB GLU A 55 -8.445 0.436 -5.951 1.00 0.00 C ATOM 868 CG GLU A 55 -8.074 -0.134 -7.310 1.00 0.00 C ATOM 869 CD GLU A 55 -8.411 0.809 -8.447 1.00 0.00 C ATOM 870 OE1 GLU A 55 -7.580 1.691 -8.754 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.506 0.669 -9.031 1.00 0.00 O ATOM 0 H GLU A 55 -8.661 1.230 -3.606 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.765 -1.236 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.504 0.255 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.304 1.517 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.007 -0.354 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.597 -1.079 -7.459 1.00 0.00 H new ATOM 878 N GLU A 56 -5.690 1.242 -4.400 1.00 0.00 N ATOM 879 CA GLU A 56 -4.295 1.651 -4.508 1.00 0.00 C ATOM 880 C GLU A 56 -3.386 0.704 -3.732 1.00 0.00 C ATOM 881 O GLU A 56 -2.220 0.518 -4.083 1.00 0.00 O ATOM 882 CB GLU A 56 -4.127 3.081 -3.991 1.00 0.00 C ATOM 883 CG GLU A 56 -4.453 4.145 -5.026 1.00 0.00 C ATOM 884 CD GLU A 56 -3.521 5.340 -4.947 1.00 0.00 C ATOM 885 OE1 GLU A 56 -2.341 5.149 -4.588 1.00 0.00 O ATOM 886 OE2 GLU A 56 -3.973 6.465 -5.245 1.00 0.00 O ATOM 0 H GLU A 56 -6.266 1.862 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.009 1.613 -5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.770 3.222 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.100 3.218 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.393 3.708 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.481 4.480 -4.886 1.00 0.00 H new ATOM 893 N VAL A 57 -3.928 0.106 -2.676 1.00 0.00 N ATOM 894 CA VAL A 57 -3.173 -0.825 -1.848 1.00 0.00 C ATOM 895 C VAL A 57 -3.170 -2.222 -2.454 1.00 0.00 C ATOM 896 O VAL A 57 -2.266 -3.015 -2.204 1.00 0.00 O ATOM 897 CB VAL A 57 -3.745 -0.902 -0.419 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.826 -1.716 0.479 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.964 0.493 0.149 1.00 0.00 C ATOM 0 H VAL A 57 -4.891 0.251 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.152 -0.447 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.712 -1.404 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.245 -1.760 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.730 -2.726 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.843 -1.246 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.368 0.416 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.014 1.027 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.667 1.037 -0.482 1.00 0.00 H new ATOM 909 N LYS A 58 -4.198 -2.518 -3.242 1.00 0.00 N ATOM 910 CA LYS A 58 -4.330 -3.821 -3.881 1.00 0.00 C ATOM 911 C LYS A 58 -3.371 -3.970 -5.061 1.00 0.00 C ATOM 912 O LYS A 58 -2.964 -5.080 -5.401 1.00 0.00 O ATOM 913 CB LYS A 58 -5.769 -4.027 -4.356 1.00 0.00 C ATOM 914 CG LYS A 58 -6.561 -4.996 -3.493 1.00 0.00 C ATOM 915 CD LYS A 58 -6.870 -6.286 -4.237 1.00 0.00 C ATOM 916 CE LYS A 58 -8.125 -6.155 -5.086 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.925 -6.691 -6.461 1.00 0.00 N ATOM 0 H LYS A 58 -4.956 -1.869 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.075 -4.580 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.280 -3.064 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.755 -4.395 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.997 -5.223 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.492 -4.525 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.026 -6.551 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.997 -7.098 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.946 -6.687 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.416 -5.106 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.804 -6.583 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.159 -6.167 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.673 -7.698 -6.408 1.00 0.00 H new ATOM 931 N LYS A 59 -3.031 -2.853 -5.695 1.00 0.00 N ATOM 932 CA LYS A 59 -2.137 -2.873 -6.851 1.00 0.00 C ATOM 933 C LYS A 59 -0.679 -3.070 -6.439 1.00 0.00 C ATOM 934 O LYS A 59 0.057 -3.814 -7.087 1.00 0.00 O ATOM 935 CB LYS A 59 -2.279 -1.574 -7.651 1.00 0.00 C ATOM 936 CG LYS A 59 -1.341 -1.485 -8.847 1.00 0.00 C ATOM 937 CD LYS A 59 -0.195 -0.517 -8.591 1.00 0.00 C ATOM 938 CE LYS A 59 -0.574 0.906 -8.968 1.00 0.00 C ATOM 939 NZ LYS A 59 0.590 1.668 -9.499 1.00 0.00 N ATOM 0 H LYS A 59 -3.359 -1.924 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.426 -3.720 -7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.308 -1.483 -8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.091 -0.728 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.940 -2.474 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.900 -1.163 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.085 -0.553 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.679 -0.826 -9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.366 0.885 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.975 1.419 -8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.421 2.687 -9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.449 1.396 -8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.714 1.453 -10.509 1.00 0.00 H new ATOM 953 N LEU A 60 -0.258 -2.395 -5.376 1.00 0.00 N ATOM 954 CA LEU A 60 1.121 -2.501 -4.910 1.00 0.00 C ATOM 955 C LEU A 60 1.373 -3.818 -4.187 1.00 0.00 C ATOM 956 O LEU A 60 2.505 -4.291 -4.126 1.00 0.00 O ATOM 957 CB LEU A 60 1.473 -1.336 -3.989 1.00 0.00 C ATOM 958 CG LEU A 60 2.963 -0.996 -3.944 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.179 0.487 -4.187 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.572 -1.419 -2.616 1.00 0.00 C ATOM 0 H LEU A 60 -0.847 -1.772 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 60 1.760 -2.468 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.921 -0.453 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.136 -1.572 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 60 3.465 -1.549 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.245 0.710 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.785 0.756 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.662 1.061 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.633 -1.168 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.068 -0.898 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.453 -2.495 -2.487 1.00 0.00 H new ATOM 972 N GLU A 61 0.321 -4.405 -3.637 1.00 0.00 N ATOM 973 CA GLU A 61 0.440 -5.666 -2.921 1.00 0.00 C ATOM 974 C GLU A 61 0.739 -6.806 -3.890 1.00 0.00 C ATOM 975 O GLU A 61 1.723 -7.530 -3.733 1.00 0.00 O ATOM 976 CB GLU A 61 -0.848 -5.953 -2.153 1.00 0.00 C ATOM 977 CG GLU A 61 -0.617 -6.451 -0.739 1.00 0.00 C ATOM 978 CD GLU A 61 -1.535 -7.599 -0.366 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.600 -7.739 -1.003 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.189 -8.357 0.564 1.00 0.00 O ATOM 0 H GLU A 61 -0.626 -4.028 -3.673 1.00 0.00 H new ATOM 0 HA GLU A 61 1.266 -5.588 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.448 -5.044 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.429 -6.696 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.420 -6.772 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.767 -5.629 -0.039 1.00 0.00 H new ATOM 987 N GLU A 62 -0.121 -6.956 -4.891 1.00 0.00 N ATOM 988 CA GLU A 62 0.035 -8.000 -5.895 1.00 0.00 C ATOM 989 C GLU A 62 1.327 -7.817 -6.687 1.00 0.00 C ATOM 990 O GLU A 62 1.889 -8.781 -7.207 1.00 0.00 O ATOM 991 CB GLU A 62 -1.162 -7.991 -6.845 1.00 0.00 C ATOM 992 CG GLU A 62 -1.593 -9.376 -7.293 1.00 0.00 C ATOM 993 CD GLU A 62 -2.791 -9.344 -8.223 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.930 -8.360 -8.979 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.589 -10.304 -8.195 1.00 0.00 O ATOM 0 H GLU A 62 -0.939 -6.363 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 62 0.085 -8.960 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.002 -7.500 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.914 -7.395 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.760 -9.866 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.834 -9.978 -6.417 1.00 0.00 H new ATOM 1002 N GLU A 63 1.789 -6.574 -6.781 1.00 0.00 N ATOM 1003 CA GLU A 63 3.009 -6.263 -7.516 1.00 0.00 C ATOM 1004 C GLU A 63 4.220 -6.958 -6.899 1.00 0.00 C ATOM 1005 O GLU A 63 4.901 -7.743 -7.560 1.00 0.00 O ATOM 1006 CB GLU A 63 3.229 -4.748 -7.544 1.00 0.00 C ATOM 1007 CG GLU A 63 3.417 -4.185 -8.943 1.00 0.00 C ATOM 1008 CD GLU A 63 4.857 -4.256 -9.411 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.502 -5.304 -9.193 1.00 0.00 O ATOM 1010 OE2 GLU A 63 5.341 -3.265 -9.996 1.00 0.00 O ATOM 0 H GLU A 63 1.336 -5.765 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 63 2.894 -6.631 -8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.376 -4.257 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.106 -4.506 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.785 -4.735 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.084 -3.147 -8.961 1.00 0.00 H new ATOM 1017 N ILE A 64 4.482 -6.663 -5.630 1.00 0.00 N ATOM 1018 CA ILE A 64 5.608 -7.255 -4.918 1.00 0.00 C ATOM 1019 C ILE A 64 5.564 -8.779 -4.985 1.00 0.00 C ATOM 1020 O ILE A 64 6.596 -9.445 -4.895 1.00 0.00 O ATOM 1021 CB ILE A 64 5.630 -6.819 -3.439 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.533 -5.294 -3.329 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.892 -7.325 -2.756 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.589 -4.784 -1.904 1.00 0.00 C ATOM 0 H ILE A 64 3.927 -6.014 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 64 6.513 -6.899 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 64 4.767 -7.255 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.346 -4.845 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.601 -4.964 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.893 -7.009 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.921 -8.413 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.768 -6.915 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.515 -3.697 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.760 -5.204 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.532 -5.084 -1.447 1.00 0.00 H new ATOM 1036 N LYS A 65 4.363 -9.326 -5.143 1.00 0.00 N ATOM 1037 CA LYS A 65 4.185 -10.772 -5.222 1.00 0.00 C ATOM 1038 C LYS A 65 4.898 -11.342 -6.445 1.00 0.00 C ATOM 1039 O LYS A 65 5.402 -12.464 -6.414 1.00 0.00 O ATOM 1040 CB LYS A 65 2.696 -11.121 -5.270 1.00 0.00 C ATOM 1041 CG LYS A 65 2.221 -11.923 -4.070 1.00 0.00 C ATOM 1042 CD LYS A 65 2.100 -11.052 -2.830 1.00 0.00 C ATOM 1043 CE LYS A 65 2.215 -11.876 -1.557 1.00 0.00 C ATOM 1044 NZ LYS A 65 1.293 -11.388 -0.495 1.00 0.00 N ATOM 0 H LYS A 65 3.498 -8.790 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 65 4.625 -11.218 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.117 -10.200 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.493 -11.688 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.255 -12.376 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.918 -12.738 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.878 -10.289 -2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.143 -10.531 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.993 -12.920 -1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.241 -11.839 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.402 -11.976 0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.521 -10.400 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.311 -11.447 -0.833 1.00 0.00 H new ATOM 1058 N LYS A 66 4.937 -10.561 -7.519 1.00 0.00 N ATOM 1059 CA LYS A 66 5.588 -10.988 -8.751 1.00 0.00 C ATOM 1060 C LYS A 66 7.098 -11.088 -8.558 1.00 0.00 C ATOM 1061 O LYS A 66 7.689 -12.153 -8.743 1.00 0.00 O ATOM 1062 CB LYS A 66 5.270 -10.015 -9.888 1.00 0.00 C ATOM 1063 CG LYS A 66 3.784 -9.744 -10.059 1.00 0.00 C ATOM 1064 CD LYS A 66 3.033 -11.000 -10.470 1.00 0.00 C ATOM 1065 CE LYS A 66 1.536 -10.854 -10.243 1.00 0.00 C ATOM 1066 NZ LYS A 66 0.898 -12.152 -9.895 1.00 0.00 N ATOM 0 H LYS A 66 4.525 -9.629 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 66 5.205 -11.974 -9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.784 -9.072 -9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.667 -10.416 -10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.373 -9.362 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.639 -8.969 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.224 -11.211 -11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.407 -11.851 -9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.359 -10.136 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.070 -10.450 -11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.122 -12.009 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.045 -12.830 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.324 -12.526 -9.023 1.00 0.00 H new ATOM 1080 N LEU A 67 7.716 -9.973 -8.184 1.00 0.00 N ATOM 1081 CA LEU A 67 9.153 -9.934 -7.964 1.00 0.00 C ATOM 1082 C LEU A 67 9.554 -10.852 -6.813 1.00 0.00 C ATOM 1083 O LEU A 67 9.151 -10.571 -5.665 1.00 0.00 O ATOM 1084 CB LEU A 67 9.604 -8.502 -7.671 1.00 0.00 C ATOM 1085 CG LEU A 67 8.659 -7.688 -6.781 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.437 -6.974 -5.685 1.00 0.00 C ATOM 1087 CD2 LEU A 67 7.872 -6.687 -7.615 1.00 0.00 C ATOM 1088 OXT LEU A 67 10.269 -11.844 -7.071 1.00 0.00 O ATOM 0 H LEU A 67 7.241 -9.084 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 67 9.645 -10.285 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.584 -8.537 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.728 -7.976 -8.618 1.00 0.00 H new ATOM 0 HG LEU A 67 7.955 -8.374 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.748 -6.401 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.956 -7.709 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.165 -6.300 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.206 -6.117 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.562 -6.007 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.284 -7.219 -8.362 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.998 2.453 3.160 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.788 1.859 2.865 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.734 0.729 2.058 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.911 0.201 1.549 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.124 0.793 1.842 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.168 1.917 2.647 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.615 2.376 3.367 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.136 0.094 1.779 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.855 1.995 2.880 1.00 0.00 H new HETATM 0 H6 HTS A 101 8.033 3.339 3.793 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.126 2.382 2.878 1.00 0.00 H new HETATM 0 H4 HTS A 101 10.046 0.375 1.439 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.879 -0.685 0.915 1.00 0.00 H new