USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 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+ 142:sc= 0.0137 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= -0.144 (180deg=-0.291) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.117) USER MOD Single : A 17 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0505) USER MOD Single : A 19 LYS NZ :NH3+ 145:sc= 0.371 (180deg=0.000907) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 4:sc= -10! 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+ 175:sc= 0 (180deg=-0.0446) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -141:sc= 0.0249 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.462 -6.519 8.268 1.00 0.00 N ATOM 2 CA GLY A 1 -15.316 -5.299 8.256 1.00 0.00 C ATOM 3 C GLY A 1 -15.447 -4.696 6.872 1.00 0.00 C ATOM 4 O GLY A 1 -14.509 -4.743 6.076 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.888 -6.532 9.135 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.066 -7.366 8.240 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.836 -6.513 7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.307 -5.549 8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.894 -4.557 8.934 1.00 0.00 H new ATOM 10 N SER A 2 -16.614 -4.129 6.584 1.00 0.00 N ATOM 11 CA SER A 2 -16.864 -3.513 5.285 1.00 0.00 C ATOM 12 C SER A 2 -15.917 -2.343 5.044 1.00 0.00 C ATOM 13 O SER A 2 -15.374 -2.185 3.951 1.00 0.00 O ATOM 14 CB SER A 2 -18.316 -3.038 5.192 1.00 0.00 C ATOM 15 OG SER A 2 -19.218 -4.116 5.370 1.00 0.00 O ATOM 0 H SER A 2 -17.401 -4.083 7.231 1.00 0.00 H new ATOM 0 HA SER A 2 -16.685 -4.264 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.502 -2.276 5.949 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.488 -2.572 4.222 1.00 0.00 H new ATOM 0 HG SER A 2 -20.139 -3.786 5.308 1.00 0.00 H new ATOM 21 N ARG A 3 -15.725 -1.522 6.072 1.00 0.00 N ATOM 22 CA ARG A 3 -14.843 -0.365 5.970 1.00 0.00 C ATOM 23 C ARG A 3 -13.385 -0.797 5.859 1.00 0.00 C ATOM 24 O ARG A 3 -12.615 -0.223 5.090 1.00 0.00 O ATOM 25 CB ARG A 3 -15.030 0.556 7.178 1.00 0.00 C ATOM 26 CG ARG A 3 -14.837 -0.142 8.514 1.00 0.00 C ATOM 27 CD ARG A 3 -13.480 0.179 9.117 1.00 0.00 C ATOM 28 NE ARG A 3 -13.503 1.420 9.888 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.207 1.583 11.006 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.941 0.588 11.488 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -14.177 2.746 11.644 1.00 0.00 N ATOM 0 H ARG A 3 -16.168 -1.636 6.984 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.107 0.182 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.325 1.384 7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.031 0.986 7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.624 0.164 9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.931 -1.220 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.166 -0.642 9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.740 0.260 8.321 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.948 2.206 9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.968 -0.308 11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.478 0.719 12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.615 3.514 11.278 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.716 2.872 12.501 1.00 0.00 H new ATOM 45 N VAL A 4 -13.011 -1.815 6.629 1.00 0.00 N ATOM 46 CA VAL A 4 -11.644 -2.324 6.610 1.00 0.00 C ATOM 47 C VAL A 4 -11.361 -3.082 5.317 1.00 0.00 C ATOM 48 O VAL A 4 -10.315 -2.894 4.695 1.00 0.00 O ATOM 49 CB VAL A 4 -11.370 -3.253 7.807 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.897 -3.628 7.866 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.813 -2.597 9.106 1.00 0.00 C ATOM 0 H VAL A 4 -13.634 -2.303 7.273 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.984 -1.459 6.676 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.949 -4.167 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.723 -4.285 8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.616 -4.143 6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.296 -2.725 7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.611 -3.269 9.940 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.264 -1.666 9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.881 -2.385 9.061 1.00 0.00 H new ATOM 61 N LYS A 5 -12.297 -3.937 4.917 1.00 0.00 N ATOM 62 CA LYS A 5 -12.141 -4.717 3.693 1.00 0.00 C ATOM 63 C LYS A 5 -11.951 -3.795 2.496 1.00 0.00 C ATOM 64 O LYS A 5 -11.096 -4.033 1.647 1.00 0.00 O ATOM 65 CB LYS A 5 -13.354 -5.626 3.475 1.00 0.00 C ATOM 66 CG LYS A 5 -13.415 -6.243 2.084 1.00 0.00 C ATOM 67 CD LYS A 5 -12.119 -6.956 1.730 1.00 0.00 C ATOM 68 CE LYS A 5 -12.349 -8.435 1.462 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.494 -8.718 0.007 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.168 -4.107 5.420 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.254 -5.343 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.336 -6.425 4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.264 -5.051 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.244 -6.949 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.615 -5.464 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.676 -6.491 0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.405 -6.840 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.515 -9.011 1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.245 -8.764 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.649 -9.737 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.305 -8.188 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.629 -8.427 -0.491 1.00 0.00 H new ATOM 83 N ALA A 6 -12.747 -2.733 2.442 1.00 0.00 N ATOM 84 CA ALA A 6 -12.656 -1.767 1.355 1.00 0.00 C ATOM 85 C ALA A 6 -11.243 -1.203 1.273 1.00 0.00 C ATOM 86 O ALA A 6 -10.727 -0.936 0.188 1.00 0.00 O ATOM 87 CB ALA A 6 -13.669 -0.652 1.553 1.00 0.00 C ATOM 0 H ALA A 6 -13.462 -2.520 3.138 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.882 -2.271 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.589 0.062 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.674 -1.073 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.471 -0.144 2.497 1.00 0.00 H new ATOM 93 N LEU A 7 -10.626 -1.038 2.436 1.00 0.00 N ATOM 94 CA LEU A 7 -9.267 -0.519 2.529 1.00 0.00 C ATOM 95 C LEU A 7 -8.298 -1.405 1.756 1.00 0.00 C ATOM 96 O LEU A 7 -7.389 -0.917 1.086 1.00 0.00 O ATOM 97 CB LEU A 7 -8.847 -0.455 3.996 1.00 0.00 C ATOM 98 CG LEU A 7 -8.041 0.778 4.393 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.701 0.796 3.672 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.825 2.048 4.100 1.00 0.00 C ATOM 0 H LEU A 7 -11.050 -1.259 3.337 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.243 0.480 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.743 -0.497 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.258 -1.343 4.227 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.852 0.733 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.140 1.683 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.134 -0.097 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.868 0.815 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.233 2.916 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.048 2.100 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.757 2.039 4.665 1.00 0.00 H new ATOM 112 N GLU A 8 -8.499 -2.712 1.865 1.00 0.00 N ATOM 113 CA GLU A 8 -7.648 -3.684 1.188 1.00 0.00 C ATOM 114 C GLU A 8 -7.787 -3.593 -0.333 1.00 0.00 C ATOM 115 O GLU A 8 -6.840 -3.866 -1.067 1.00 0.00 O ATOM 116 CB GLU A 8 -7.983 -5.104 1.675 1.00 0.00 C ATOM 117 CG GLU A 8 -9.035 -5.826 0.841 1.00 0.00 C ATOM 118 CD GLU A 8 -8.425 -6.643 -0.282 1.00 0.00 C ATOM 119 OE1 GLU A 8 -8.078 -7.818 -0.040 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.294 -6.107 -1.402 1.00 0.00 O ATOM 0 H GLU A 8 -9.249 -3.126 2.419 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.612 -3.455 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.069 -5.698 1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.331 -5.048 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.619 -6.481 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.725 -5.095 0.421 1.00 0.00 H new ATOM 127 N GLU A 9 -8.979 -3.227 -0.795 1.00 0.00 N ATOM 128 CA GLU A 9 -9.250 -3.121 -2.227 1.00 0.00 C ATOM 129 C GLU A 9 -8.464 -1.985 -2.879 1.00 0.00 C ATOM 130 O GLU A 9 -8.008 -2.111 -4.015 1.00 0.00 O ATOM 131 CB GLU A 9 -10.747 -2.913 -2.463 1.00 0.00 C ATOM 132 CG GLU A 9 -11.621 -3.955 -1.784 1.00 0.00 C ATOM 133 CD GLU A 9 -12.266 -4.909 -2.771 1.00 0.00 C ATOM 134 OE1 GLU A 9 -13.028 -4.438 -3.642 1.00 0.00 O ATOM 135 OE2 GLU A 9 -12.008 -6.127 -2.674 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.774 -2.998 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.928 -4.055 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.029 -1.924 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.943 -2.929 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.018 -4.524 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.399 -3.452 -1.209 1.00 0.00 H new ATOM 142 N LYS A 10 -8.321 -0.872 -2.167 1.00 0.00 N ATOM 143 CA LYS A 10 -7.603 0.287 -2.693 1.00 0.00 C ATOM 144 C LYS A 10 -6.096 0.038 -2.751 1.00 0.00 C ATOM 145 O LYS A 10 -5.411 0.522 -3.652 1.00 0.00 O ATOM 146 CB LYS A 10 -7.896 1.525 -1.841 1.00 0.00 C ATOM 147 CG LYS A 10 -7.485 1.380 -0.384 1.00 0.00 C ATOM 148 CD LYS A 10 -7.178 2.731 0.248 1.00 0.00 C ATOM 149 CE LYS A 10 -5.716 2.840 0.652 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.400 4.171 1.239 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.692 -0.747 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.954 0.458 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.377 2.382 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.963 1.742 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.284 0.890 0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.607 0.737 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.422 3.527 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.810 2.876 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.480 2.059 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.085 2.669 -0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.453 4.145 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.421 4.894 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.105 4.405 1.967 1.00 0.00 H new ATOM 164 N VAL A 11 -5.589 -0.707 -1.778 1.00 0.00 N ATOM 165 CA VAL A 11 -4.165 -1.013 -1.702 1.00 0.00 C ATOM 166 C VAL A 11 -3.697 -1.842 -2.897 1.00 0.00 C ATOM 167 O VAL A 11 -2.613 -1.615 -3.437 1.00 0.00 O ATOM 168 CB VAL A 11 -3.838 -1.776 -0.403 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.336 -1.966 -0.247 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.419 -1.052 0.803 1.00 0.00 C ATOM 0 H VAL A 11 -6.146 -1.113 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.637 -0.059 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.297 -2.763 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.132 -2.507 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.951 -2.535 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.848 -0.992 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.178 -1.605 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.994 -0.050 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.502 -0.981 0.698 1.00 0.00 H new ATOM 180 N LYS A 12 -4.514 -2.806 -3.299 1.00 0.00 N ATOM 181 CA LYS A 12 -4.185 -3.678 -4.421 1.00 0.00 C ATOM 182 C LYS A 12 -4.220 -2.923 -5.738 1.00 0.00 C ATOM 183 O LYS A 12 -3.393 -3.158 -6.620 1.00 0.00 O ATOM 184 CB LYS A 12 -5.136 -4.874 -4.471 1.00 0.00 C ATOM 185 CG LYS A 12 -4.417 -6.208 -4.603 1.00 0.00 C ATOM 186 CD LYS A 12 -4.440 -6.985 -3.297 1.00 0.00 C ATOM 187 CE LYS A 12 -4.545 -8.482 -3.539 1.00 0.00 C ATOM 188 NZ LYS A 12 -3.234 -9.165 -3.367 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.414 -3.005 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.169 -4.043 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.744 -4.884 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.819 -4.752 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.888 -6.800 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.385 -6.037 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.535 -6.770 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.283 -6.654 -2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.271 -8.911 -2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.918 -8.662 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.272 -10.106 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.486 -8.600 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.026 -9.267 -2.353 1.00 0.00 H new ATOM 202 N ALA A 13 -5.176 -2.013 -5.873 1.00 0.00 N ATOM 203 CA ALA A 13 -5.297 -1.230 -7.091 1.00 0.00 C ATOM 204 C ALA A 13 -3.993 -0.500 -7.361 1.00 0.00 C ATOM 205 O ALA A 13 -3.562 -0.373 -8.507 1.00 0.00 O ATOM 206 CB ALA A 13 -6.451 -0.243 -6.978 1.00 0.00 C ATOM 0 H ALA A 13 -5.873 -1.801 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.506 -1.900 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.527 0.335 -7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.381 -0.788 -6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.272 0.431 -6.140 1.00 0.00 H new ATOM 212 N LEU A 14 -3.353 -0.047 -6.289 1.00 0.00 N ATOM 213 CA LEU A 14 -2.074 0.641 -6.405 1.00 0.00 C ATOM 214 C LEU A 14 -0.981 -0.343 -6.800 1.00 0.00 C ATOM 215 O LEU A 14 -0.017 0.016 -7.466 1.00 0.00 O ATOM 216 CB LEU A 14 -1.704 1.339 -5.098 1.00 0.00 C ATOM 217 CG LEU A 14 -0.798 2.561 -5.265 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.113 3.613 -4.213 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.669 2.154 -5.201 1.00 0.00 C ATOM 0 H LEU A 14 -3.698 -0.143 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.168 1.400 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.620 1.648 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.207 0.621 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.988 2.996 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.457 4.473 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.151 3.929 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.956 3.192 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.297 3.037 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.876 1.690 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.885 1.443 -5.999 1.00 0.00 H new ATOM 231 N GLU A 15 -1.140 -1.586 -6.369 1.00 0.00 N ATOM 232 CA GLU A 15 -0.175 -2.639 -6.658 1.00 0.00 C ATOM 233 C GLU A 15 0.074 -2.779 -8.159 1.00 0.00 C ATOM 234 O GLU A 15 1.197 -3.023 -8.591 1.00 0.00 O ATOM 235 CB GLU A 15 -0.675 -3.968 -6.094 1.00 0.00 C ATOM 236 CG GLU A 15 0.389 -5.046 -6.057 1.00 0.00 C ATOM 237 CD GLU A 15 -0.116 -6.385 -6.555 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.921 -7.020 -5.840 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 0.293 -6.801 -7.660 1.00 0.00 O ATOM 0 H GLU A 15 -1.937 -1.893 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 15 0.768 -2.366 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.053 -3.806 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.514 -4.317 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.238 -4.734 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.753 -5.157 -5.035 1.00 0.00 H new ATOM 246 N GLU A 16 -0.990 -2.638 -8.938 1.00 0.00 N ATOM 247 CA GLU A 16 -0.918 -2.761 -10.393 1.00 0.00 C ATOM 248 C GLU A 16 -0.090 -1.644 -11.014 1.00 0.00 C ATOM 249 O GLU A 16 0.609 -1.860 -12.001 1.00 0.00 O ATOM 250 CB GLU A 16 -2.325 -2.758 -10.992 1.00 0.00 C ATOM 251 CG GLU A 16 -3.243 -3.814 -10.395 1.00 0.00 C ATOM 252 CD GLU A 16 -3.782 -4.775 -11.437 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.969 -5.373 -12.172 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -5.019 -4.930 -11.517 1.00 0.00 O ATOM 0 H GLU A 16 -1.925 -2.436 -8.584 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.427 -3.707 -10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.772 -1.775 -10.844 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.253 -2.917 -12.068 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.699 -4.375 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.077 -3.323 -9.893 1.00 0.00 H new ATOM 261 N LYS A 17 -0.176 -0.451 -10.440 1.00 0.00 N ATOM 262 CA LYS A 17 0.571 0.691 -10.951 1.00 0.00 C ATOM 263 C LYS A 17 2.071 0.499 -10.738 1.00 0.00 C ATOM 264 O LYS A 17 2.887 1.001 -11.510 1.00 0.00 O ATOM 265 CB LYS A 17 0.089 1.999 -10.304 1.00 0.00 C ATOM 266 CG LYS A 17 0.521 2.186 -8.857 1.00 0.00 C ATOM 267 CD LYS A 17 1.093 3.574 -8.614 1.00 0.00 C ATOM 268 CE LYS A 17 0.117 4.667 -9.027 1.00 0.00 C ATOM 269 NZ LYS A 17 -0.338 5.475 -7.862 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.753 -0.249 -9.624 1.00 0.00 H new ATOM 0 HA LYS A 17 0.387 0.760 -12.023 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.461 2.838 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.999 2.033 -10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.333 2.024 -8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.268 1.435 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.339 3.686 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.023 3.687 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.592 5.321 -9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.747 4.216 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.313 5.798 -8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.304 4.893 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.285 6.300 -7.747 1.00 0.00 H new ATOM 283 N VAL A 18 2.427 -0.222 -9.677 1.00 0.00 N ATOM 284 CA VAL A 18 3.832 -0.469 -9.356 1.00 0.00 C ATOM 285 C VAL A 18 4.491 -1.402 -10.370 1.00 0.00 C ATOM 286 O VAL A 18 5.595 -1.135 -10.844 1.00 0.00 O ATOM 287 CB VAL A 18 3.987 -1.072 -7.946 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.456 -1.166 -7.561 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.214 -0.252 -6.924 1.00 0.00 C ATOM 0 H VAL A 18 1.765 -0.645 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 18 4.331 0.500 -9.392 1.00 0.00 H new ATOM 0 HB VAL A 18 3.573 -2.080 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.544 -1.594 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.979 -1.801 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.899 -0.170 -7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.336 -0.694 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.594 0.769 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.157 -0.243 -7.189 1.00 0.00 H new ATOM 299 N LYS A 19 3.810 -2.494 -10.702 1.00 0.00 N ATOM 300 CA LYS A 19 4.332 -3.459 -11.663 1.00 0.00 C ATOM 301 C LYS A 19 4.390 -2.850 -13.059 1.00 0.00 C ATOM 302 O LYS A 19 5.157 -3.293 -13.913 1.00 0.00 O ATOM 303 CB LYS A 19 3.466 -4.720 -11.677 1.00 0.00 C ATOM 304 CG LYS A 19 2.029 -4.467 -12.102 1.00 0.00 C ATOM 305 CD LYS A 19 1.333 -5.756 -12.509 1.00 0.00 C ATOM 306 CE LYS A 19 -0.097 -5.500 -12.954 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.761 -6.744 -13.433 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.895 -2.733 -10.320 1.00 0.00 H new ATOM 0 HA LYS A 19 5.343 -3.729 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.913 -5.450 -12.352 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.469 -5.164 -10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.483 -4.001 -11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.013 -3.765 -12.936 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.888 -6.230 -13.319 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.335 -6.452 -11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.666 -5.081 -12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.102 -4.756 -13.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.768 -6.723 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.672 -6.809 -14.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.307 -7.571 -12.994 1.00 0.00 H new ATOM 321 N ALA A 20 3.574 -1.826 -13.278 1.00 0.00 N ATOM 322 CA ALA A 20 3.522 -1.140 -14.559 1.00 0.00 C ATOM 323 C ALA A 20 4.592 -0.052 -14.640 1.00 0.00 C ATOM 324 O ALA A 20 4.846 0.505 -15.708 1.00 0.00 O ATOM 325 CB ALA A 20 2.136 -0.550 -14.773 1.00 0.00 C ATOM 0 H ALA A 20 2.935 -1.451 -12.577 1.00 0.00 H new ATOM 0 HA ALA A 20 3.723 -1.863 -15.350 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.103 -0.037 -15.734 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.395 -1.349 -14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.916 0.160 -13.976 1.00 0.00 H new ATOM 331 N LEU A 21 5.217 0.245 -13.501 1.00 0.00 N ATOM 332 CA LEU A 21 6.259 1.261 -13.437 1.00 0.00 C ATOM 333 C LEU A 21 7.519 0.790 -14.158 1.00 0.00 C ATOM 334 O LEU A 21 8.247 1.589 -14.746 1.00 0.00 O ATOM 335 CB LEU A 21 6.585 1.585 -11.974 1.00 0.00 C ATOM 336 CG LEU A 21 6.691 3.075 -11.639 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.304 3.264 -10.259 1.00 0.00 C ATOM 338 CD2 LEU A 21 7.511 3.808 -12.691 1.00 0.00 C ATOM 0 H LEU A 21 5.017 -0.207 -12.609 1.00 0.00 H new ATOM 0 HA LEU A 21 5.894 2.161 -13.932 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.816 1.142 -11.341 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.528 1.104 -11.714 1.00 0.00 H new ATOM 0 HG LEU A 21 5.687 3.498 -11.635 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.373 4.328 -10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.678 2.776 -9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.301 2.824 -10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.573 4.865 -12.432 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.515 3.385 -12.730 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.033 3.700 -13.665 1.00 0.00 H new ATOM 350 N GLY A 22 7.768 -0.515 -14.106 1.00 0.00 N ATOM 351 CA GLY A 22 8.938 -1.075 -14.757 1.00 0.00 C ATOM 352 C GLY A 22 9.248 -2.480 -14.278 1.00 0.00 C ATOM 353 O GLY A 22 8.560 -3.433 -14.643 1.00 0.00 O ATOM 0 H GLY A 22 7.180 -1.195 -13.624 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.779 -1.088 -15.835 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.798 -0.432 -14.569 1.00 0.00 H new ATOM 357 N GLY A 23 10.286 -2.609 -13.457 1.00 0.00 N ATOM 358 CA GLY A 23 10.666 -3.910 -12.940 1.00 0.00 C ATOM 359 C GLY A 23 12.142 -4.203 -13.130 1.00 0.00 C ATOM 360 O GLY A 23 12.600 -4.411 -14.253 1.00 0.00 O ATOM 0 H GLY A 23 10.870 -1.835 -13.141 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.423 -3.961 -11.879 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.079 -4.681 -13.439 1.00 0.00 H new ATOM 364 N GLY A 24 12.886 -4.221 -12.029 1.00 0.00 N ATOM 365 CA GLY A 24 14.309 -4.492 -12.100 1.00 0.00 C ATOM 366 C GLY A 24 15.146 -3.366 -11.526 1.00 0.00 C ATOM 367 O GLY A 24 16.060 -2.866 -12.182 1.00 0.00 O ATOM 0 H GLY A 24 12.528 -4.053 -11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.527 -5.413 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.592 -4.657 -13.140 1.00 0.00 H new ATOM 371 N GLY A 25 14.837 -2.967 -10.296 1.00 0.00 N ATOM 372 CA GLY A 25 15.579 -1.897 -9.657 1.00 0.00 C ATOM 373 C GLY A 25 14.829 -1.284 -8.489 1.00 0.00 C ATOM 374 O GLY A 25 14.747 -1.880 -7.415 1.00 0.00 O ATOM 0 H GLY A 25 14.087 -3.365 -9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.537 -2.282 -9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.797 -1.122 -10.392 1.00 0.00 H new ATOM 378 N ARG A 26 14.286 -0.091 -8.699 1.00 0.00 N ATOM 379 CA ARG A 26 13.542 0.607 -7.655 1.00 0.00 C ATOM 380 C ARG A 26 12.086 0.149 -7.618 1.00 0.00 C ATOM 381 O ARG A 26 11.442 0.205 -6.577 1.00 0.00 O ATOM 382 CB ARG A 26 13.609 2.121 -7.881 1.00 0.00 C ATOM 383 CG ARG A 26 12.695 2.920 -6.962 1.00 0.00 C ATOM 384 CD ARG A 26 13.079 4.391 -6.932 1.00 0.00 C ATOM 385 NE ARG A 26 13.119 4.917 -5.568 1.00 0.00 N ATOM 386 CZ ARG A 26 13.098 6.214 -5.274 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.040 7.121 -6.241 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 13.135 6.606 -4.007 1.00 0.00 N ATOM 0 H ARG A 26 14.346 0.414 -9.583 1.00 0.00 H new ATOM 0 HA ARG A 26 14.000 0.367 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.636 2.455 -7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.346 2.336 -8.917 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.663 2.820 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.744 2.510 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.055 4.521 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.364 4.965 -7.521 1.00 0.00 H new ATOM 0 HE ARG A 26 13.166 4.250 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.011 6.825 -7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.024 8.114 -6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.180 5.913 -3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.119 7.600 -3.780 1.00 0.00 H new ATOM 402 N ILE A 27 11.575 -0.283 -8.764 1.00 0.00 N ATOM 403 CA ILE A 27 10.191 -0.740 -8.872 1.00 0.00 C ATOM 404 C ILE A 27 9.942 -2.041 -8.103 1.00 0.00 C ATOM 405 O ILE A 27 8.898 -2.208 -7.474 1.00 0.00 O ATOM 406 CB ILE A 27 9.790 -0.949 -10.346 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.131 0.294 -11.172 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.307 -1.271 -10.454 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.460 0.199 -11.889 1.00 0.00 C ATOM 0 H ILE A 27 12.100 -0.327 -9.638 1.00 0.00 H new ATOM 0 HA ILE A 27 9.579 0.045 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 27 10.354 -1.793 -10.742 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.343 0.460 -11.906 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.143 1.164 -10.516 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.041 -1.415 -11.501 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.091 -2.182 -9.896 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.725 -0.447 -10.042 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.635 1.115 -12.454 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.258 0.065 -11.159 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.445 -0.651 -12.571 1.00 0.00 H new ATOM 421 N GLU A 28 10.888 -2.973 -8.188 1.00 0.00 N ATOM 422 CA GLU A 28 10.758 -4.277 -7.533 1.00 0.00 C ATOM 423 C GLU A 28 10.739 -4.176 -6.006 1.00 0.00 C ATOM 424 O GLU A 28 9.952 -4.850 -5.344 1.00 0.00 O ATOM 425 CB GLU A 28 11.897 -5.198 -7.971 1.00 0.00 C ATOM 426 CG GLU A 28 11.688 -5.812 -9.347 1.00 0.00 C ATOM 427 CD GLU A 28 11.441 -7.307 -9.287 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.403 -8.057 -9.012 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 10.288 -7.729 -9.517 1.00 0.00 O ATOM 0 H GLU A 28 11.758 -2.851 -8.706 1.00 0.00 H new ATOM 0 HA GLU A 28 9.798 -4.690 -7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.830 -4.634 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.009 -5.998 -7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.841 -5.327 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.564 -5.617 -9.965 1.00 0.00 H new ATOM 436 N GLU A 29 11.620 -3.357 -5.451 1.00 0.00 N ATOM 437 CA GLU A 29 11.711 -3.197 -4.000 1.00 0.00 C ATOM 438 C GLU A 29 10.472 -2.511 -3.424 1.00 0.00 C ATOM 439 O GLU A 29 10.012 -2.850 -2.335 1.00 0.00 O ATOM 440 CB GLU A 29 12.961 -2.394 -3.636 1.00 0.00 C ATOM 441 CG GLU A 29 14.218 -2.870 -4.346 1.00 0.00 C ATOM 442 CD GLU A 29 15.474 -2.209 -3.812 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.779 -2.396 -2.616 1.00 0.00 O ATOM 444 OE2 GLU A 29 16.151 -1.506 -4.591 1.00 0.00 O1- ATOM 0 H GLU A 29 12.284 -2.791 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 29 11.775 -4.194 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.792 -1.345 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.118 -2.451 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.306 -3.951 -4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.129 -2.664 -5.413 1.00 0.00 H new ATOM 451 N LEU A 30 9.959 -1.531 -4.153 1.00 0.00 N ATOM 452 CA LEU A 30 8.799 -0.766 -3.724 1.00 0.00 C ATOM 453 C LEU A 30 7.577 -1.656 -3.500 1.00 0.00 C ATOM 454 O LEU A 30 6.890 -1.534 -2.485 1.00 0.00 O ATOM 455 CB LEU A 30 8.492 0.294 -4.780 1.00 0.00 C ATOM 456 CG LEU A 30 8.242 1.702 -4.244 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.547 2.334 -3.786 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.578 2.562 -5.308 1.00 0.00 C ATOM 0 H LEU A 30 10.335 -1.245 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 30 9.030 -0.295 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.324 0.334 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.614 -0.023 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 30 7.572 1.634 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.352 3.337 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.988 1.727 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.238 2.392 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.406 3.563 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.226 2.624 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.625 2.116 -5.594 1.00 0.00 H new ATOM 470 N LYS A 31 7.309 -2.548 -4.446 1.00 0.00 N ATOM 471 CA LYS A 31 6.165 -3.451 -4.340 1.00 0.00 C ATOM 472 C LYS A 31 6.335 -4.433 -3.190 1.00 0.00 C ATOM 473 O LYS A 31 5.359 -4.813 -2.553 1.00 0.00 O ATOM 474 CB LYS A 31 5.901 -4.211 -5.643 1.00 0.00 C ATOM 475 CG LYS A 31 7.152 -4.576 -6.431 1.00 0.00 C ATOM 476 CD LYS A 31 7.307 -6.082 -6.569 1.00 0.00 C ATOM 477 CE LYS A 31 6.129 -6.699 -7.308 1.00 0.00 C ATOM 478 NZ LYS A 31 5.816 -8.067 -6.809 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.865 -2.667 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 31 5.298 -2.822 -4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.355 -5.125 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.253 -3.605 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.104 -4.122 -7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.030 -4.163 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.230 -6.306 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.393 -6.532 -5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.253 -6.061 -7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.352 -6.743 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.008 -8.453 -7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.643 -8.683 -6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.578 -8.022 -5.798 1.00 0.00 H new ATOM 492 N LYS A 32 7.571 -4.850 -2.932 1.00 0.00 N ATOM 493 CA LYS A 32 7.838 -5.799 -1.854 1.00 0.00 C ATOM 494 C LYS A 32 7.308 -5.258 -0.531 1.00 0.00 C ATOM 495 O LYS A 32 6.730 -5.994 0.268 1.00 0.00 O ATOM 496 CB LYS A 32 9.339 -6.072 -1.745 1.00 0.00 C ATOM 497 CG LYS A 32 9.815 -7.220 -2.620 1.00 0.00 C ATOM 498 CD LYS A 32 11.328 -7.362 -2.579 1.00 0.00 C ATOM 499 CE LYS A 32 11.822 -7.655 -1.172 1.00 0.00 C ATOM 500 NZ LYS A 32 12.970 -8.603 -1.172 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.397 -4.550 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 32 7.327 -6.735 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.885 -5.169 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.585 -6.292 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.352 -8.149 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.492 -7.054 -3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.637 -8.164 -3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.791 -6.445 -2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.121 -6.724 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.007 -8.072 -0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.277 -8.777 -0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.679 -9.501 -1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.758 -8.194 -1.715 1.00 0.00 H new ATOM 514 N LYS A 33 7.484 -3.959 -0.323 1.00 0.00 N ATOM 515 CA LYS A 33 6.999 -3.303 0.884 1.00 0.00 C ATOM 516 C LYS A 33 5.477 -3.317 0.903 1.00 0.00 C ATOM 517 O LYS A 33 4.856 -3.438 1.960 1.00 0.00 O ATOM 518 CB LYS A 33 7.516 -1.865 0.959 1.00 0.00 C ATOM 519 CG LYS A 33 7.260 -1.196 2.300 1.00 0.00 C ATOM 520 CD LYS A 33 8.478 -0.426 2.782 1.00 0.00 C ATOM 521 CE LYS A 33 8.407 1.038 2.378 1.00 0.00 C ATOM 522 NZ LYS A 33 9.388 1.871 3.129 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.960 -3.338 -0.977 1.00 0.00 H new ATOM 0 HA LYS A 33 7.371 -3.847 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.588 -1.862 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.044 -1.276 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.411 -0.518 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.990 -1.951 3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.552 -0.502 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.381 -0.875 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.597 1.129 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.400 1.415 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.307 2.862 2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.191 1.805 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.351 1.528 2.940 1.00 0.00 H new ATOM 536 N TYR A 34 4.886 -3.188 -0.279 1.00 0.00 N ATOM 537 CA TYR A 34 3.437 -3.179 -0.416 1.00 0.00 C ATOM 538 C TYR A 34 2.816 -4.442 0.177 1.00 0.00 C ATOM 539 O TYR A 34 1.749 -4.383 0.780 1.00 0.00 O ATOM 540 CB TYR A 34 3.034 -3.024 -1.887 1.00 0.00 C ATOM 541 CG TYR A 34 2.151 -1.825 -2.130 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.778 -1.901 -1.941 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.692 -0.614 -2.537 1.00 0.00 C ATOM 544 CE1 TYR A 34 -0.031 -0.801 -2.149 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.890 0.490 -2.749 1.00 0.00 C ATOM 546 CZ TYR A 34 0.529 0.392 -2.552 1.00 0.00 C ATOM 547 OH TYR A 34 -0.272 1.493 -2.753 1.00 0.00 O ATOM 0 H TYR A 34 5.392 -3.088 -1.159 1.00 0.00 H new ATOM 0 HA TYR A 34 3.056 -2.323 0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.933 -2.937 -2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.513 -3.924 -2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.335 -2.835 -1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.758 -0.533 -2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.098 -0.875 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.327 1.425 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.194 1.277 -2.501 1.00 0.00 H new ATOM 557 N GLU A 35 3.484 -5.580 0.011 1.00 0.00 N ATOM 558 CA GLU A 35 2.983 -6.843 0.545 1.00 0.00 C ATOM 559 C GLU A 35 2.728 -6.721 2.044 1.00 0.00 C ATOM 560 O GLU A 35 1.721 -7.208 2.558 1.00 0.00 O ATOM 561 CB GLU A 35 3.980 -7.971 0.273 1.00 0.00 C ATOM 562 CG GLU A 35 4.154 -8.287 -1.203 1.00 0.00 C ATOM 563 CD GLU A 35 4.045 -9.770 -1.500 1.00 0.00 C ATOM 564 OE1 GLU A 35 4.458 -10.579 -0.642 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 3.546 -10.123 -2.589 1.00 0.00 O ATOM 0 H GLU A 35 4.371 -5.654 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 35 2.043 -7.079 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.948 -7.698 0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.649 -8.870 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.400 -7.749 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.126 -7.924 -1.536 1.00 0.00 H new ATOM 572 N GLU A 36 3.646 -6.053 2.735 1.00 0.00 N ATOM 573 CA GLU A 36 3.527 -5.842 4.173 1.00 0.00 C ATOM 574 C GLU A 36 2.236 -5.099 4.496 1.00 0.00 C ATOM 575 O GLU A 36 1.584 -5.367 5.504 1.00 0.00 O ATOM 576 CB GLU A 36 4.729 -5.056 4.698 1.00 0.00 C ATOM 577 CG GLU A 36 4.815 -5.015 6.215 1.00 0.00 C ATOM 578 CD GLU A 36 6.068 -4.318 6.709 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.292 -3.153 6.317 1.00 0.00 O ATOM 580 OE2 GLU A 36 6.823 -4.936 7.488 1.00 0.00 O1- ATOM 0 H GLU A 36 4.484 -5.647 2.320 1.00 0.00 H new ATOM 0 HA GLU A 36 3.504 -6.816 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.643 -5.499 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.679 -4.036 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.938 -4.503 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.792 -6.033 6.604 1.00 0.00 H new ATOM 587 N LEU A 37 1.882 -4.155 3.630 1.00 0.00 N ATOM 588 CA LEU A 37 0.678 -3.352 3.808 1.00 0.00 C ATOM 589 C LEU A 37 -0.572 -4.226 3.876 1.00 0.00 C ATOM 590 O LEU A 37 -1.434 -4.023 4.727 1.00 0.00 O ATOM 591 CB LEU A 37 0.552 -2.369 2.641 1.00 0.00 C ATOM 592 CG LEU A 37 0.632 -0.890 3.006 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.719 -0.385 3.490 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.705 -0.647 4.056 1.00 0.00 C ATOM 0 H LEU A 37 2.417 -3.926 2.792 1.00 0.00 H new ATOM 0 HA LEU A 37 0.763 -2.812 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.339 -2.589 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.399 -2.549 2.140 1.00 0.00 H new ATOM 0 HG LEU A 37 0.906 -0.333 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.642 0.672 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.460 -0.514 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.024 -0.950 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.742 0.415 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.470 -1.217 4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.673 -0.964 3.668 1.00 0.00 H new ATOM 606 N LYS A 38 -0.662 -5.189 2.971 1.00 0.00 N ATOM 607 CA LYS A 38 -1.805 -6.095 2.918 1.00 0.00 C ATOM 608 C LYS A 38 -2.003 -6.824 4.244 1.00 0.00 C ATOM 609 O LYS A 38 -3.130 -7.036 4.682 1.00 0.00 O ATOM 610 CB LYS A 38 -1.620 -7.111 1.789 1.00 0.00 C ATOM 611 CG LYS A 38 -2.278 -6.695 0.482 1.00 0.00 C ATOM 612 CD LYS A 38 -3.422 -7.626 0.111 1.00 0.00 C ATOM 613 CE LYS A 38 -4.740 -7.152 0.701 1.00 0.00 C ATOM 614 NZ LYS A 38 -5.099 -7.906 1.935 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.046 -5.366 2.258 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.695 -5.496 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.554 -7.261 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.031 -8.070 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.652 -5.675 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.535 -6.694 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.508 -7.684 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.204 -8.633 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.673 -6.089 0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.532 -7.268 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.004 -7.553 2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.188 -8.918 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.356 -7.774 2.651 1.00 0.00 H new ATOM 628 N LYS A 39 -0.898 -7.225 4.863 1.00 0.00 N ATOM 629 CA LYS A 39 -0.935 -7.952 6.129 1.00 0.00 C ATOM 630 C LYS A 39 -1.537 -7.121 7.263 1.00 0.00 C ATOM 631 O LYS A 39 -2.237 -7.654 8.122 1.00 0.00 O ATOM 632 CB LYS A 39 0.475 -8.403 6.516 1.00 0.00 C ATOM 633 CG LYS A 39 0.869 -9.747 5.927 1.00 0.00 C ATOM 634 CD LYS A 39 2.234 -10.194 6.425 1.00 0.00 C ATOM 635 CE LYS A 39 2.295 -11.702 6.610 1.00 0.00 C ATOM 636 NZ LYS A 39 3.046 -12.367 5.510 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.043 -7.057 4.506 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.578 -8.820 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.191 -7.649 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.544 -8.458 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.121 -10.495 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.881 -9.679 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.001 -9.882 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.456 -9.701 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.770 -11.932 7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.283 -12.104 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.064 -13.394 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.579 -12.169 4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.020 -12.003 5.485 1.00 0.00 H new ATOM 650 N LYS A 40 -1.240 -5.825 7.281 1.00 0.00 N ATOM 651 CA LYS A 40 -1.734 -4.935 8.334 1.00 0.00 C ATOM 652 C LYS A 40 -3.257 -4.801 8.310 1.00 0.00 C ATOM 653 O LYS A 40 -3.912 -4.879 9.350 1.00 0.00 O ATOM 654 CB LYS A 40 -1.091 -3.553 8.197 1.00 0.00 C ATOM 655 CG LYS A 40 -0.662 -2.950 9.525 1.00 0.00 C ATOM 656 CD LYS A 40 0.478 -1.960 9.343 1.00 0.00 C ATOM 657 CE LYS A 40 1.823 -2.594 9.663 1.00 0.00 C ATOM 658 NZ LYS A 40 2.308 -2.214 11.019 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.660 -5.365 6.580 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.457 -5.379 9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.222 -3.628 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.797 -2.879 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.511 -2.448 9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.351 -3.744 10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.482 -1.593 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.318 -1.097 9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.737 -3.679 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.556 -2.287 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.227 -2.666 11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.414 -1.181 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.622 -2.529 11.734 1.00 0.00 H new ATOM 672 N ILE A 41 -3.812 -4.595 7.123 1.00 0.00 N ATOM 673 CA ILE A 41 -5.254 -4.443 6.962 1.00 0.00 C ATOM 674 C ILE A 41 -5.983 -5.703 7.409 1.00 0.00 C ATOM 675 O ILE A 41 -7.076 -5.640 7.969 1.00 0.00 O ATOM 676 CB ILE A 41 -5.625 -4.129 5.498 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.847 -2.905 5.006 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.124 -3.898 5.360 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.712 -2.842 3.500 1.00 0.00 C ATOM 0 H ILE A 41 -3.284 -4.529 6.253 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.563 -3.606 7.588 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.355 -4.986 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.346 -2.002 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.853 -2.913 5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.364 -3.678 4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.661 -4.793 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.422 -3.057 5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.150 -1.950 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.186 -3.728 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.703 -2.803 3.047 1.00 0.00 H new ATOM 691 N GLU A 42 -5.356 -6.845 7.168 1.00 0.00 N ATOM 692 CA GLU A 42 -5.921 -8.129 7.551 1.00 0.00 C ATOM 693 C GLU A 42 -6.025 -8.223 9.067 1.00 0.00 C ATOM 694 O GLU A 42 -6.946 -8.840 9.603 1.00 0.00 O ATOM 695 CB GLU A 42 -5.059 -9.272 7.009 1.00 0.00 C ATOM 696 CG GLU A 42 -5.656 -9.958 5.791 1.00 0.00 C ATOM 697 CD GLU A 42 -5.422 -11.456 5.794 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.247 -11.873 5.739 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -6.416 -12.211 5.849 1.00 0.00 O ATOM 0 H GLU A 42 -4.449 -6.907 6.705 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.920 -8.213 7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.074 -8.883 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.913 -10.011 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.728 -9.761 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.223 -9.528 4.888 1.00 0.00 H new ATOM 706 N GLU A 43 -5.070 -7.603 9.752 1.00 0.00 N ATOM 707 CA GLU A 43 -5.045 -7.611 11.210 1.00 0.00 C ATOM 708 C GLU A 43 -6.115 -6.685 11.777 1.00 0.00 C ATOM 709 O GLU A 43 -6.630 -6.911 12.871 1.00 0.00 O ATOM 710 CB GLU A 43 -3.665 -7.187 11.718 1.00 0.00 C ATOM 711 CG GLU A 43 -2.581 -8.222 11.467 1.00 0.00 C ATOM 712 CD GLU A 43 -2.646 -9.382 12.442 1.00 0.00 C ATOM 713 OE1 GLU A 43 -3.255 -9.219 13.520 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -2.087 -10.453 12.127 1.00 0.00 O ATOM 0 H GLU A 43 -4.302 -7.088 9.320 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.253 -8.626 11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.381 -6.251 11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.726 -6.989 12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.675 -8.602 10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.604 -7.745 11.540 1.00 0.00 H new ATOM 721 N LEU A 44 -6.447 -5.643 11.022 1.00 0.00 N ATOM 722 CA LEU A 44 -7.456 -4.680 11.445 1.00 0.00 C ATOM 723 C LEU A 44 -8.818 -5.352 11.600 1.00 0.00 C ATOM 724 O LEU A 44 -9.650 -5.305 10.694 1.00 0.00 O ATOM 725 CB LEU A 44 -7.543 -3.532 10.437 1.00 0.00 C ATOM 726 CG LEU A 44 -6.921 -2.216 10.902 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.680 -1.293 9.718 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.813 -1.542 11.934 1.00 0.00 C ATOM 0 H LEU A 44 -6.031 -5.444 10.112 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.162 -4.279 12.415 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.054 -3.841 9.513 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.592 -3.356 10.199 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.960 -2.433 11.368 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.237 -0.361 10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.003 -1.775 9.013 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.628 -1.081 9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.355 -0.606 12.255 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.788 -1.337 11.493 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.935 -2.200 12.795 1.00 0.00 H new ATOM 740 N GLY A 45 -9.037 -5.977 12.752 1.00 0.00 N ATOM 741 CA GLY A 45 -10.298 -6.649 13.003 1.00 0.00 C ATOM 742 C GLY A 45 -11.446 -5.677 13.192 1.00 0.00 C ATOM 743 O GLY A 45 -12.507 -5.835 12.589 1.00 0.00 O ATOM 0 H GLY A 45 -8.364 -6.030 13.516 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.523 -7.315 12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.203 -7.272 13.892 1.00 0.00 H new ATOM 747 N GLY A 46 -11.233 -4.669 14.031 1.00 0.00 N ATOM 748 CA GLY A 46 -12.267 -3.682 14.282 1.00 0.00 C ATOM 749 C GLY A 46 -12.075 -2.421 13.463 1.00 0.00 C ATOM 750 O GLY A 46 -11.638 -2.480 12.314 1.00 0.00 O ATOM 0 H GLY A 46 -10.363 -4.518 14.542 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.241 -4.115 14.054 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.272 -3.426 15.342 1.00 0.00 H new ATOM 754 N GLY A 47 -12.404 -1.277 14.054 1.00 0.00 N ATOM 755 CA GLY A 47 -12.257 -0.013 13.357 1.00 0.00 C ATOM 756 C GLY A 47 -11.577 1.043 14.206 1.00 0.00 C ATOM 757 O GLY A 47 -12.193 1.626 15.097 1.00 0.00 O ATOM 0 H GLY A 47 -12.770 -1.203 15.003 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.679 -0.169 12.446 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.240 0.347 13.053 1.00 0.00 H new ATOM 761 N GLY A 48 -10.301 1.289 13.927 1.00 0.00 N ATOM 762 CA GLY A 48 -9.553 2.281 14.677 1.00 0.00 C ATOM 763 C GLY A 48 -8.224 2.610 14.027 1.00 0.00 C ATOM 764 O GLY A 48 -7.823 3.772 13.967 1.00 0.00 O ATOM 0 H GLY A 48 -9.771 0.818 13.194 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.147 3.191 14.765 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.379 1.914 15.689 1.00 0.00 H new ATOM 768 N GLU A 49 -7.539 1.580 13.538 1.00 0.00 N ATOM 769 CA GLU A 49 -6.247 1.759 12.886 1.00 0.00 C ATOM 770 C GLU A 49 -6.403 1.842 11.365 1.00 0.00 C ATOM 771 O GLU A 49 -5.419 1.991 10.640 1.00 0.00 O ATOM 772 CB GLU A 49 -5.312 0.605 13.253 1.00 0.00 C ATOM 773 CG GLU A 49 -3.922 0.731 12.654 1.00 0.00 C ATOM 774 CD GLU A 49 -2.956 -0.300 13.202 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.422 -1.356 13.678 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -1.733 -0.054 13.154 1.00 0.00 O ATOM 0 H GLU A 49 -7.858 0.612 13.581 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.817 2.698 13.235 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.227 0.549 14.338 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.758 -0.332 12.920 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.986 0.624 11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.534 1.730 12.853 1.00 0.00 H new ATOM 783 N VAL A 50 -7.642 1.744 10.888 1.00 0.00 N ATOM 784 CA VAL A 50 -7.923 1.808 9.457 1.00 0.00 C ATOM 785 C VAL A 50 -7.333 3.068 8.831 1.00 0.00 C ATOM 786 O VAL A 50 -6.801 3.031 7.722 1.00 0.00 O ATOM 787 CB VAL A 50 -9.444 1.768 9.184 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.097 3.098 9.533 1.00 0.00 C ATOM 789 CG2 VAL A 50 -9.717 1.397 7.734 1.00 0.00 C ATOM 0 H VAL A 50 -8.468 1.620 11.473 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.455 0.934 9.003 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.883 1.002 9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.167 3.042 9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.938 3.316 10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.655 3.890 8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.793 1.374 7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.259 2.137 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.294 0.414 7.524 1.00 0.00 H new ATOM 799 N LYS A 51 -7.436 4.179 9.550 1.00 0.00 N ATOM 800 CA LYS A 51 -6.919 5.454 9.069 1.00 0.00 C ATOM 801 C LYS A 51 -5.394 5.445 9.031 1.00 0.00 C ATOM 802 O LYS A 51 -4.781 6.084 8.176 1.00 0.00 O ATOM 803 CB LYS A 51 -7.416 6.592 9.963 1.00 0.00 C ATOM 804 CG LYS A 51 -8.814 7.080 9.610 1.00 0.00 C ATOM 805 CD LYS A 51 -9.883 6.077 10.025 1.00 0.00 C ATOM 806 CE LYS A 51 -10.950 6.722 10.898 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.323 6.417 10.413 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.874 4.223 10.470 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.284 5.610 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.409 6.257 11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.720 7.428 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.001 8.035 10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.878 7.256 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.348 5.652 9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.419 5.253 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.841 6.370 11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.802 7.802 10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.020 6.874 11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.436 6.775 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.474 5.388 10.422 1.00 0.00 H new ATOM 821 N LYS A 52 -4.790 4.719 9.964 1.00 0.00 N ATOM 822 CA LYS A 52 -3.335 4.624 10.042 1.00 0.00 C ATOM 823 C LYS A 52 -2.772 3.861 8.847 1.00 0.00 C ATOM 824 O LYS A 52 -1.675 4.154 8.376 1.00 0.00 O ATOM 825 CB LYS A 52 -2.916 3.936 11.342 1.00 0.00 C ATOM 826 CG LYS A 52 -3.467 4.608 12.590 1.00 0.00 C ATOM 827 CD LYS A 52 -2.407 5.448 13.285 1.00 0.00 C ATOM 828 CE LYS A 52 -2.970 6.155 14.507 1.00 0.00 C ATOM 829 NZ LYS A 52 -3.303 5.198 15.598 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.285 4.186 10.679 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.931 5.636 10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.251 2.899 11.319 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.828 3.918 11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.314 5.239 12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.841 3.850 13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.574 4.811 13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.010 6.185 12.587 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.245 6.883 14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.865 6.710 14.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.604 5.725 16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.074 4.572 15.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.464 4.627 15.827 1.00 0.00 H new ATOM 843 N VAL A 53 -3.527 2.879 8.370 1.00 0.00 N ATOM 844 CA VAL A 53 -3.106 2.062 7.235 1.00 0.00 C ATOM 845 C VAL A 53 -3.114 2.862 5.932 1.00 0.00 C ATOM 846 O VAL A 53 -2.242 2.691 5.084 1.00 0.00 O ATOM 847 CB VAL A 53 -4.012 0.826 7.071 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.522 -0.060 5.934 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.084 0.044 8.374 1.00 0.00 C ATOM 0 H VAL A 53 -4.438 2.627 8.753 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.087 1.737 7.445 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.016 1.168 6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.178 -0.925 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.530 0.506 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.507 -0.396 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.728 -0.826 8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.084 -0.284 8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.492 0.681 9.159 1.00 0.00 H new ATOM 859 N GLU A 54 -4.111 3.722 5.771 1.00 0.00 N ATOM 860 CA GLU A 54 -4.231 4.532 4.563 1.00 0.00 C ATOM 861 C GLU A 54 -3.060 5.504 4.423 1.00 0.00 C ATOM 862 O GLU A 54 -2.641 5.827 3.314 1.00 0.00 O ATOM 863 CB GLU A 54 -5.550 5.308 4.573 1.00 0.00 C ATOM 864 CG GLU A 54 -6.773 4.428 4.770 1.00 0.00 C ATOM 865 CD GLU A 54 -8.046 5.080 4.267 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.695 5.801 5.053 1.00 0.00 O1- ATOM 867 OE2 GLU A 54 -8.395 4.869 3.086 1.00 0.00 O ATOM 0 H GLU A 54 -4.848 3.878 6.459 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.216 3.855 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.517 6.053 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.650 5.850 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.623 3.482 4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.882 4.195 5.829 1.00 0.00 H new ATOM 874 N GLU A 55 -2.550 5.980 5.553 1.00 0.00 N ATOM 875 CA GLU A 55 -1.438 6.929 5.556 1.00 0.00 C ATOM 876 C GLU A 55 -0.122 6.280 5.118 1.00 0.00 C ATOM 877 O GLU A 55 0.631 6.855 4.333 1.00 0.00 O ATOM 878 CB GLU A 55 -1.276 7.540 6.950 1.00 0.00 C ATOM 879 CG GLU A 55 -1.148 9.055 6.939 1.00 0.00 C ATOM 880 CD GLU A 55 -1.376 9.668 8.307 1.00 0.00 C ATOM 881 OE1 GLU A 55 -2.536 9.679 8.767 1.00 0.00 O ATOM 882 OE2 GLU A 55 -0.392 10.137 8.917 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.888 5.725 6.481 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.675 7.710 4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.134 7.261 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.393 7.112 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.155 9.330 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.867 9.472 6.233 1.00 0.00 H new ATOM 889 N GLU A 56 0.161 5.095 5.652 1.00 0.00 N ATOM 890 CA GLU A 56 1.400 4.384 5.342 1.00 0.00 C ATOM 891 C GLU A 56 1.542 4.095 3.848 1.00 0.00 C ATOM 892 O GLU A 56 2.628 4.234 3.287 1.00 0.00 O ATOM 893 CB GLU A 56 1.476 3.079 6.138 1.00 0.00 C ATOM 894 CG GLU A 56 0.256 2.189 5.978 1.00 0.00 C ATOM 895 CD GLU A 56 0.466 0.801 6.553 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.476 0.596 7.259 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 -0.380 -0.082 6.297 1.00 0.00 O ATOM 0 H GLU A 56 -0.452 4.605 6.303 1.00 0.00 H new ATOM 0 HA GLU A 56 2.226 5.035 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.361 2.525 5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.605 3.316 7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.597 2.657 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.008 2.106 4.920 1.00 0.00 H new ATOM 904 N VAL A 57 0.454 3.686 3.209 1.00 0.00 N ATOM 905 CA VAL A 57 0.482 3.374 1.783 1.00 0.00 C ATOM 906 C VAL A 57 0.684 4.634 0.942 1.00 0.00 C ATOM 907 O VAL A 57 1.344 4.601 -0.096 1.00 0.00 O ATOM 908 CB VAL A 57 -0.800 2.638 1.332 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.953 3.609 1.111 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.528 1.824 0.075 1.00 0.00 C ATOM 0 H VAL A 57 -0.456 3.562 3.652 1.00 0.00 H new ATOM 0 HA VAL A 57 1.330 2.709 1.624 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.096 1.957 2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.838 3.057 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.167 4.137 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.680 4.329 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.440 1.311 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.200 2.488 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.251 1.089 0.279 1.00 0.00 H new ATOM 920 N LYS A 58 0.105 5.742 1.396 1.00 0.00 N ATOM 921 CA LYS A 58 0.210 7.014 0.687 1.00 0.00 C ATOM 922 C LYS A 58 1.670 7.393 0.443 1.00 0.00 C ATOM 923 O LYS A 58 1.997 8.000 -0.575 1.00 0.00 O ATOM 924 CB LYS A 58 -0.492 8.119 1.480 1.00 0.00 C ATOM 925 CG LYS A 58 -1.748 8.647 0.804 1.00 0.00 C ATOM 926 CD LYS A 58 -1.437 9.820 -0.109 1.00 0.00 C ATOM 927 CE LYS A 58 -1.134 11.080 0.685 1.00 0.00 C ATOM 928 NZ LYS A 58 -0.582 12.162 -0.176 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.444 5.785 2.255 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.278 6.901 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.753 7.737 2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.204 8.944 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.215 7.849 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.468 8.955 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.584 9.574 -0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.283 10.001 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.045 11.431 1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.422 10.847 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.389 13.003 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.301 11.837 -0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.272 12.403 -0.916 1.00 0.00 H new ATOM 942 N LYS A 59 2.541 7.036 1.379 1.00 0.00 N ATOM 943 CA LYS A 59 3.962 7.337 1.254 1.00 0.00 C ATOM 944 C LYS A 59 4.599 6.527 0.124 1.00 0.00 C ATOM 945 O LYS A 59 5.480 7.013 -0.585 1.00 0.00 O ATOM 946 CB LYS A 59 4.686 7.076 2.583 1.00 0.00 C ATOM 947 CG LYS A 59 5.064 5.620 2.814 1.00 0.00 C ATOM 948 CD LYS A 59 5.011 5.258 4.289 1.00 0.00 C ATOM 949 CE LYS A 59 6.326 5.563 4.990 1.00 0.00 C ATOM 950 NZ LYS A 59 6.129 6.413 6.196 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.289 6.538 2.233 1.00 0.00 H new ATOM 0 HA LYS A 59 4.063 8.394 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.590 7.684 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.048 7.408 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.387 4.974 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.068 5.438 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.205 5.811 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.779 4.198 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.808 4.629 5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.999 6.068 4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.049 6.598 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.692 7.315 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.508 5.921 6.870 1.00 0.00 H new ATOM 964 N LEU A 60 4.158 5.279 -0.018 1.00 0.00 N ATOM 965 CA LEU A 60 4.688 4.377 -1.038 1.00 0.00 C ATOM 966 C LEU A 60 4.508 4.937 -2.450 1.00 0.00 C ATOM 967 O LEU A 60 5.432 4.891 -3.263 1.00 0.00 O ATOM 968 CB LEU A 60 3.994 3.017 -0.928 1.00 0.00 C ATOM 969 CG LEU A 60 4.783 1.828 -1.478 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.189 2.076 -2.922 1.00 0.00 C ATOM 971 CD2 LEU A 60 6.005 1.548 -0.617 1.00 0.00 C ATOM 0 H LEU A 60 3.430 4.867 0.565 1.00 0.00 H new ATOM 0 HA LEU A 60 5.758 4.268 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.769 2.827 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.040 3.072 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 60 4.139 0.949 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.749 1.219 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.297 2.219 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.813 2.968 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.552 0.698 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.652 2.425 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.688 1.319 0.401 1.00 0.00 H new ATOM 983 N GLU A 61 3.322 5.457 -2.742 1.00 0.00 N ATOM 984 CA GLU A 61 3.041 6.013 -4.064 1.00 0.00 C ATOM 985 C GLU A 61 3.832 7.297 -4.299 1.00 0.00 C ATOM 986 O GLU A 61 4.244 7.586 -5.422 1.00 0.00 O ATOM 987 CB GLU A 61 1.541 6.272 -4.244 1.00 0.00 C ATOM 988 CG GLU A 61 0.924 7.133 -3.154 1.00 0.00 C ATOM 989 CD GLU A 61 1.186 8.614 -3.357 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.691 8.987 -4.436 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 0.883 9.401 -2.436 1.00 0.00 O ATOM 0 H GLU A 61 2.542 5.506 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 61 3.354 5.277 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.380 6.755 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.019 5.315 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.152 6.959 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.322 6.827 -2.187 1.00 0.00 H new ATOM 998 N GLU A 62 4.041 8.061 -3.233 1.00 0.00 N ATOM 999 CA GLU A 62 4.785 9.315 -3.318 1.00 0.00 C ATOM 1000 C GLU A 62 6.175 9.077 -3.896 1.00 0.00 C ATOM 1001 O GLU A 62 6.688 9.890 -4.665 1.00 0.00 O ATOM 1002 CB GLU A 62 4.900 9.961 -1.936 1.00 0.00 C ATOM 1003 CG GLU A 62 3.618 10.626 -1.465 1.00 0.00 C ATOM 1004 CD GLU A 62 3.200 11.783 -2.352 1.00 0.00 C ATOM 1005 OE1 GLU A 62 2.697 11.526 -3.465 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 3.376 12.946 -1.932 1.00 0.00 O ATOM 0 H GLU A 62 3.705 7.834 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 62 4.242 9.989 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.192 9.200 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.698 10.703 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.818 9.886 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.753 10.986 -0.445 1.00 0.00 H new ATOM 1013 N GLU A 63 6.772 7.950 -3.526 1.00 0.00 N ATOM 1014 CA GLU A 63 8.097 7.594 -4.011 1.00 0.00 C ATOM 1015 C GLU A 63 8.040 7.267 -5.497 1.00 0.00 C ATOM 1016 O GLU A 63 8.991 7.517 -6.238 1.00 0.00 O ATOM 1017 CB GLU A 63 8.650 6.395 -3.236 1.00 0.00 C ATOM 1018 CG GLU A 63 8.502 6.523 -1.729 1.00 0.00 C ATOM 1019 CD GLU A 63 9.558 7.420 -1.114 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.747 7.261 -1.459 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 9.195 8.281 -0.286 1.00 0.00 O ATOM 0 H GLU A 63 6.358 7.268 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 63 8.760 8.445 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.138 5.492 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.705 6.271 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.514 6.920 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.563 5.533 -1.276 1.00 0.00 H new ATOM 1028 N ILE A 64 6.914 6.705 -5.922 1.00 0.00 N ATOM 1029 CA ILE A 64 6.721 6.340 -7.321 1.00 0.00 C ATOM 1030 C ILE A 64 6.831 7.561 -8.229 1.00 0.00 C ATOM 1031 O ILE A 64 7.340 7.473 -9.347 1.00 0.00 O ATOM 1032 CB ILE A 64 5.351 5.667 -7.542 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.179 4.482 -6.589 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.201 5.216 -8.990 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.850 3.775 -6.738 1.00 0.00 C ATOM 0 H ILE A 64 6.120 6.492 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 64 7.510 5.632 -7.575 1.00 0.00 H new ATOM 0 HB ILE A 64 4.570 6.397 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.983 3.767 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.281 4.834 -5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.228 4.744 -9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.280 6.080 -9.650 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.988 4.501 -9.232 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.798 2.946 -6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.040 4.476 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.753 3.393 -7.754 1.00 0.00 H new ATOM 1047 N LYS A 65 6.350 8.700 -7.743 1.00 0.00 N ATOM 1048 CA LYS A 65 6.395 9.938 -8.513 1.00 0.00 C ATOM 1049 C LYS A 65 7.824 10.459 -8.621 1.00 0.00 C ATOM 1050 O LYS A 65 8.202 11.063 -9.624 1.00 0.00 O ATOM 1051 CB LYS A 65 5.502 10.998 -7.866 1.00 0.00 C ATOM 1052 CG LYS A 65 4.016 10.741 -8.056 1.00 0.00 C ATOM 1053 CD LYS A 65 3.205 11.246 -6.872 1.00 0.00 C ATOM 1054 CE LYS A 65 1.989 12.036 -7.324 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.473 12.926 -6.248 1.00 0.00 N1+ ATOM 0 H LYS A 65 5.925 8.792 -6.820 1.00 0.00 H new ATOM 0 HA LYS A 65 6.027 9.726 -9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.721 11.043 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.750 11.974 -8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.675 11.232 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.845 9.672 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.885 10.401 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.834 11.874 -6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.249 12.635 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.203 11.347 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.433 12.924 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.805 12.583 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.820 13.894 -6.402 1.00 0.00 H new ATOM 1069 N LYS A 66 8.614 10.220 -7.580 1.00 0.00 N ATOM 1070 CA LYS A 66 10.002 10.664 -7.554 1.00 0.00 C ATOM 1071 C LYS A 66 10.846 9.884 -8.559 1.00 0.00 C ATOM 1072 O LYS A 66 11.891 10.359 -9.006 1.00 0.00 O ATOM 1073 CB LYS A 66 10.585 10.501 -6.149 1.00 0.00 C ATOM 1074 CG LYS A 66 9.826 11.274 -5.082 1.00 0.00 C ATOM 1075 CD LYS A 66 10.764 11.831 -4.024 1.00 0.00 C ATOM 1076 CE LYS A 66 10.069 11.969 -2.680 1.00 0.00 C ATOM 1077 NZ LYS A 66 10.473 13.216 -1.972 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.316 9.720 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 66 10.023 11.718 -7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.588 9.443 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.624 10.831 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.274 12.091 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.092 10.620 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.629 11.176 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.137 12.804 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.989 11.969 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.306 11.105 -2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.977 13.273 -1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.500 13.205 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.224 14.042 -2.554 1.00 0.00 H new ATOM 1091 N LEU A 67 10.391 8.684 -8.909 1.00 0.00 N ATOM 1092 CA LEU A 67 11.111 7.843 -9.859 1.00 0.00 C ATOM 1093 C LEU A 67 10.430 7.858 -11.225 1.00 0.00 C ATOM 1094 O LEU A 67 9.345 8.467 -11.339 1.00 0.00 O ATOM 1095 CB LEU A 67 11.213 6.409 -9.324 1.00 0.00 C ATOM 1096 CG LEU A 67 10.001 5.513 -9.593 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.082 4.908 -10.987 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.905 4.419 -8.540 1.00 0.00 C ATOM 1099 OXT LEU A 67 10.988 7.261 -12.170 1.00 0.00 O ATOM 0 H LEU A 67 9.529 8.273 -8.550 1.00 0.00 H new ATOM 0 HA LEU A 67 12.117 8.245 -9.980 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.094 5.939 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.377 6.453 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 67 9.101 6.125 -9.537 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.212 4.274 -11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.103 5.706 -11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.989 4.310 -11.072 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.038 3.791 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.809 3.810 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.799 4.871 -7.554 1.00 0.00 H new TER 1111 LEU A 67