USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD 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+ -129:sc= 0 (180deg=-1.78) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= -0.341 (180deg=-0.463) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 0.078 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 146:sc= -9.74! USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.145) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 0.0739 (180deg=0.0485) USER MOD Single : A 40 LYS NZ :NH3+ -128:sc= -2 (180deg=-4.08!) USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= -1.28 (180deg=-1.86) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -15.703 -6.080 6.660 1.00 0.00 N ATOM 11 CA SER A 2 -16.480 -5.167 5.827 1.00 0.00 C ATOM 12 C SER A 2 -15.672 -3.918 5.485 1.00 0.00 C ATOM 13 O SER A 2 -15.136 -3.798 4.384 1.00 0.00 O ATOM 14 CB SER A 2 -17.779 -4.776 6.535 1.00 0.00 C ATOM 15 OG SER A 2 -18.855 -5.598 6.119 1.00 0.00 O ATOM 0 HA SER A 2 -16.724 -5.682 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.648 -4.861 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.012 -3.732 6.324 1.00 0.00 H new ATOM 0 HG SER A 2 -19.673 -5.329 6.587 1.00 0.00 H new ATOM 21 N ARG A 3 -15.590 -2.991 6.434 1.00 0.00 N ATOM 22 CA ARG A 3 -14.848 -1.753 6.229 1.00 0.00 C ATOM 23 C ARG A 3 -13.349 -2.025 6.149 1.00 0.00 C ATOM 24 O ARG A 3 -12.620 -1.336 5.435 1.00 0.00 O ATOM 25 CB ARG A 3 -15.146 -0.762 7.355 1.00 0.00 C ATOM 26 CG ARG A 3 -14.650 -1.218 8.718 1.00 0.00 C ATOM 27 CD ARG A 3 -13.479 -0.375 9.200 1.00 0.00 C ATOM 28 NE ARG A 3 -13.864 0.529 10.283 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.244 1.794 10.105 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.305 2.317 8.886 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -14.570 2.539 11.152 1.00 0.00 N ATOM 0 H ARG A 3 -16.028 -3.074 7.351 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.168 -1.317 5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.688 0.197 7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.222 -0.597 7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.464 -1.158 9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.348 -2.264 8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.677 -1.030 9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.083 0.205 8.367 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.840 0.168 11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.060 1.749 8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.597 3.286 8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.530 2.144 12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.861 3.507 11.018 1.00 0.00 H new ATOM 45 N VAL A 4 -12.896 -3.036 6.884 1.00 0.00 N ATOM 46 CA VAL A 4 -11.485 -3.403 6.893 1.00 0.00 C ATOM 47 C VAL A 4 -11.089 -4.063 5.577 1.00 0.00 C ATOM 48 O VAL A 4 -10.051 -3.740 4.998 1.00 0.00 O ATOM 49 CB VAL A 4 -11.163 -4.360 8.058 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.675 -4.673 8.102 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.630 -3.768 9.379 1.00 0.00 C ATOM 0 H VAL A 4 -13.486 -3.615 7.481 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.913 -2.484 7.023 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.700 -5.294 7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.470 -5.350 8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.375 -5.144 7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.113 -3.749 8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.395 -4.457 10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.124 -2.818 9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.707 -3.604 9.344 1.00 0.00 H new ATOM 61 N LYS A 5 -11.923 -4.988 5.106 1.00 0.00 N ATOM 62 CA LYS A 5 -11.655 -5.684 3.854 1.00 0.00 C ATOM 63 C LYS A 5 -11.599 -4.695 2.697 1.00 0.00 C ATOM 64 O LYS A 5 -10.714 -4.766 1.852 1.00 0.00 O ATOM 65 CB LYS A 5 -12.724 -6.749 3.591 1.00 0.00 C ATOM 66 CG LYS A 5 -12.749 -7.257 2.156 1.00 0.00 C ATOM 67 CD LYS A 5 -11.388 -7.778 1.727 1.00 0.00 C ATOM 68 CE LYS A 5 -11.451 -8.444 0.361 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.691 -9.725 0.333 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.786 -5.270 5.572 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.687 -6.178 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.556 -7.592 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.702 -6.336 3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.490 -8.051 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.059 -6.452 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.674 -6.955 1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.022 -8.492 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.491 -8.633 0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.049 -7.767 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.758 -10.148 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.693 -9.542 0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.091 -10.381 1.034 1.00 0.00 H new ATOM 83 N ALA A 6 -12.545 -3.764 2.676 1.00 0.00 N ATOM 84 CA ALA A 6 -12.596 -2.751 1.629 1.00 0.00 C ATOM 85 C ALA A 6 -11.286 -1.975 1.579 1.00 0.00 C ATOM 86 O ALA A 6 -10.816 -1.586 0.510 1.00 0.00 O ATOM 87 CB ALA A 6 -13.770 -1.815 1.861 1.00 0.00 C ATOM 0 H ALA A 6 -13.287 -3.689 3.372 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.736 -3.245 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.797 -1.063 1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.698 -2.386 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.658 -1.323 2.827 1.00 0.00 H new ATOM 93 N LEU A 7 -10.702 -1.763 2.753 1.00 0.00 N ATOM 94 CA LEU A 7 -9.440 -1.044 2.871 1.00 0.00 C ATOM 95 C LEU A 7 -8.350 -1.740 2.063 1.00 0.00 C ATOM 96 O LEU A 7 -7.544 -1.094 1.394 1.00 0.00 O ATOM 97 CB LEU A 7 -9.031 -0.978 4.344 1.00 0.00 C ATOM 98 CG LEU A 7 -8.385 0.331 4.790 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.991 0.470 4.197 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.256 1.516 4.405 1.00 0.00 C ATOM 0 H LEU A 7 -11.086 -2.082 3.642 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.569 -0.035 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.915 -1.153 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.336 -1.793 4.547 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.292 0.316 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.547 1.409 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.369 -0.361 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.056 0.462 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.778 2.440 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.384 1.537 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.230 1.422 4.884 1.00 0.00 H new ATOM 112 N GLU A 8 -8.337 -3.064 2.134 1.00 0.00 N ATOM 113 CA GLU A 8 -7.354 -3.868 1.415 1.00 0.00 C ATOM 114 C GLU A 8 -7.533 -3.743 -0.100 1.00 0.00 C ATOM 115 O GLU A 8 -6.570 -3.843 -0.857 1.00 0.00 O ATOM 116 CB GLU A 8 -7.454 -5.338 1.853 1.00 0.00 C ATOM 117 CG GLU A 8 -8.350 -6.203 0.974 1.00 0.00 C ATOM 118 CD GLU A 8 -7.628 -6.734 -0.248 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.659 -7.502 -0.079 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.034 -6.382 -1.376 1.00 0.00 O ATOM 0 H GLU A 8 -9.000 -3.608 2.686 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.361 -3.492 1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.453 -5.769 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.828 -5.374 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.729 -7.040 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.214 -5.619 0.656 1.00 0.00 H new ATOM 127 N GLU A 9 -8.776 -3.548 -0.531 1.00 0.00 N ATOM 128 CA GLU A 9 -9.095 -3.434 -1.952 1.00 0.00 C ATOM 129 C GLU A 9 -8.476 -2.189 -2.586 1.00 0.00 C ATOM 130 O GLU A 9 -8.056 -2.222 -3.742 1.00 0.00 O ATOM 131 CB GLU A 9 -10.613 -3.410 -2.149 1.00 0.00 C ATOM 132 CG GLU A 9 -11.278 -4.755 -1.907 1.00 0.00 C ATOM 133 CD GLU A 9 -11.099 -5.711 -3.070 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.267 -5.275 -4.229 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -10.790 -6.895 -2.822 1.00 0.00 O ATOM 0 H GLU A 9 -9.583 -3.465 0.087 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.669 -4.305 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.047 -2.672 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.834 -3.082 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.863 -5.204 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.342 -4.603 -1.727 1.00 0.00 H new ATOM 142 N LYS A 10 -8.436 -1.089 -1.840 1.00 0.00 N ATOM 143 CA LYS A 10 -7.881 0.161 -2.356 1.00 0.00 C ATOM 144 C LYS A 10 -6.362 0.082 -2.503 1.00 0.00 C ATOM 145 O LYS A 10 -5.787 0.668 -3.421 1.00 0.00 O ATOM 146 CB LYS A 10 -8.264 1.333 -1.447 1.00 0.00 C ATOM 147 CG LYS A 10 -7.734 1.214 -0.027 1.00 0.00 C ATOM 148 CD LYS A 10 -7.354 2.572 0.541 1.00 0.00 C ATOM 149 CE LYS A 10 -5.857 2.816 0.447 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.534 4.267 0.361 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.779 -1.036 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.305 0.326 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.890 2.258 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.351 1.413 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.490 0.752 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.864 0.557 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.886 3.355 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.669 2.633 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.364 2.386 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.460 2.303 -0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.899 4.434 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.411 4.811 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.066 4.571 1.238 1.00 0.00 H new ATOM 164 N VAL A 11 -5.719 -0.636 -1.590 1.00 0.00 N ATOM 165 CA VAL A 11 -4.267 -0.787 -1.611 1.00 0.00 C ATOM 166 C VAL A 11 -3.798 -1.558 -2.845 1.00 0.00 C ATOM 167 O VAL A 11 -2.750 -1.259 -3.418 1.00 0.00 O ATOM 168 CB VAL A 11 -3.779 -1.518 -0.342 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.262 -1.647 -0.331 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.266 -0.798 0.906 1.00 0.00 C ATOM 0 H VAL A 11 -6.181 -1.125 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.841 0.216 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.199 -2.524 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.948 -2.166 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.939 -2.213 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.812 -0.654 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.913 -1.326 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.879 0.221 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.356 -0.772 0.909 1.00 0.00 H new ATOM 180 N LYS A 12 -4.580 -2.553 -3.239 1.00 0.00 N ATOM 181 CA LYS A 12 -4.259 -3.383 -4.395 1.00 0.00 C ATOM 182 C LYS A 12 -4.391 -2.607 -5.691 1.00 0.00 C ATOM 183 O LYS A 12 -3.600 -2.784 -6.617 1.00 0.00 O ATOM 184 CB LYS A 12 -5.161 -4.613 -4.435 1.00 0.00 C ATOM 185 CG LYS A 12 -4.456 -5.866 -4.921 1.00 0.00 C ATOM 186 CD LYS A 12 -4.972 -7.098 -4.201 1.00 0.00 C ATOM 187 CE LYS A 12 -4.759 -8.358 -5.026 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.860 -9.342 -4.833 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.450 -2.808 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.221 -3.700 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.559 -4.794 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.012 -4.409 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.607 -5.979 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.383 -5.769 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.463 -7.200 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.034 -6.977 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.690 -8.093 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.810 -8.817 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.677 -10.186 -5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.910 -9.614 -3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.763 -8.914 -5.121 1.00 0.00 H new ATOM 202 N ALA A 13 -5.395 -1.746 -5.756 1.00 0.00 N ATOM 203 CA ALA A 13 -5.622 -0.948 -6.949 1.00 0.00 C ATOM 204 C ALA A 13 -4.371 -0.151 -7.276 1.00 0.00 C ATOM 205 O ALA A 13 -4.014 0.016 -8.442 1.00 0.00 O ATOM 206 CB ALA A 13 -6.813 -0.022 -6.751 1.00 0.00 C ATOM 0 H ALA A 13 -6.061 -1.583 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.846 -1.611 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.969 0.568 -7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.705 -0.615 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.620 0.645 -5.911 1.00 0.00 H new ATOM 212 N LEU A 14 -3.689 0.308 -6.233 1.00 0.00 N ATOM 213 CA LEU A 14 -2.450 1.053 -6.417 1.00 0.00 C ATOM 214 C LEU A 14 -1.345 0.122 -6.899 1.00 0.00 C ATOM 215 O LEU A 14 -0.444 0.531 -7.619 1.00 0.00 O ATOM 216 CB LEU A 14 -2.023 1.753 -5.129 1.00 0.00 C ATOM 217 CG LEU A 14 -1.207 3.028 -5.350 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.462 4.032 -4.237 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.277 2.700 -5.457 1.00 0.00 C ATOM 0 H LEU A 14 -3.969 0.179 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.629 1.819 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.913 2.000 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.436 1.058 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.525 3.480 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.871 4.931 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.520 4.292 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.177 3.595 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.842 3.619 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.611 2.221 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.441 2.025 -6.297 1.00 0.00 H new ATOM 231 N GLU A 15 -1.426 -1.137 -6.483 1.00 0.00 N ATOM 232 CA GLU A 15 -0.441 -2.147 -6.856 1.00 0.00 C ATOM 233 C GLU A 15 -0.253 -2.225 -8.370 1.00 0.00 C ATOM 234 O GLU A 15 0.856 -2.421 -8.859 1.00 0.00 O ATOM 235 CB GLU A 15 -0.874 -3.512 -6.321 1.00 0.00 C ATOM 236 CG GLU A 15 0.221 -4.558 -6.379 1.00 0.00 C ATOM 237 CD GLU A 15 -0.271 -5.888 -6.919 1.00 0.00 C ATOM 238 OE1 GLU A 15 -1.377 -6.316 -6.528 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.451 -6.501 -7.734 1.00 0.00 O1- ATOM 0 H GLU A 15 -2.172 -1.486 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 15 0.514 -1.859 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.205 -3.401 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.732 -3.863 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.034 -4.193 -7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.631 -4.705 -5.380 1.00 0.00 H new ATOM 246 N GLU A 16 -1.353 -2.091 -9.099 1.00 0.00 N ATOM 247 CA GLU A 16 -1.340 -2.163 -10.560 1.00 0.00 C ATOM 248 C GLU A 16 -0.562 -1.010 -11.176 1.00 0.00 C ATOM 249 O GLU A 16 0.085 -1.175 -12.206 1.00 0.00 O ATOM 250 CB GLU A 16 -2.772 -2.170 -11.099 1.00 0.00 C ATOM 251 CG GLU A 16 -3.461 -3.520 -10.980 1.00 0.00 C ATOM 252 CD GLU A 16 -4.292 -3.859 -12.202 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.140 -3.029 -12.593 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.095 -4.956 -12.768 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.278 -1.930 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.839 -3.090 -10.839 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.357 -1.424 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.758 -1.870 -12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.710 -4.295 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.101 -3.521 -10.098 1.00 0.00 H new ATOM 261 N LYS A 17 -0.630 0.155 -10.547 1.00 0.00 N ATOM 262 CA LYS A 17 0.077 1.326 -11.047 1.00 0.00 C ATOM 263 C LYS A 17 1.587 1.166 -10.869 1.00 0.00 C ATOM 264 O LYS A 17 2.374 1.708 -11.645 1.00 0.00 O ATOM 265 CB LYS A 17 -0.425 2.607 -10.363 1.00 0.00 C ATOM 266 CG LYS A 17 0.025 2.774 -8.919 1.00 0.00 C ATOM 267 CD LYS A 17 0.556 4.175 -8.651 1.00 0.00 C ATOM 268 CE LYS A 17 -0.420 5.249 -9.112 1.00 0.00 C ATOM 269 NZ LYS A 17 -0.774 6.187 -8.011 1.00 0.00 N1+ ATOM 0 H LYS A 17 -1.165 0.314 -9.693 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.130 1.414 -12.114 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.083 3.468 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.515 2.616 -10.393 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.812 2.569 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.800 2.042 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.748 4.293 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.509 4.306 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.019 5.808 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.326 4.777 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.440 6.903 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.216 5.658 -7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.087 6.657 -7.665 1.00 0.00 H new ATOM 283 N VAL A 18 1.983 0.427 -9.835 1.00 0.00 N ATOM 284 CA VAL A 18 3.399 0.207 -9.548 1.00 0.00 C ATOM 285 C VAL A 18 4.068 -0.645 -10.624 1.00 0.00 C ATOM 286 O VAL A 18 5.151 -0.314 -11.107 1.00 0.00 O ATOM 287 CB VAL A 18 3.586 -0.479 -8.181 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.058 -0.530 -7.800 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.775 0.234 -7.110 1.00 0.00 C ATOM 0 H VAL A 18 1.345 -0.029 -9.183 1.00 0.00 H new ATOM 0 HA VAL A 18 3.871 1.190 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 18 3.222 -1.503 -8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.166 -1.018 -6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.610 -1.092 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.454 0.484 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.920 -0.265 -6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.105 1.270 -7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.718 0.208 -7.376 1.00 0.00 H new ATOM 299 N LYS A 19 3.416 -1.736 -11.002 1.00 0.00 N ATOM 300 CA LYS A 19 3.943 -2.628 -12.028 1.00 0.00 C ATOM 301 C LYS A 19 3.886 -1.967 -13.401 1.00 0.00 C ATOM 302 O LYS A 19 4.621 -2.340 -14.316 1.00 0.00 O ATOM 303 CB LYS A 19 3.154 -3.939 -12.047 1.00 0.00 C ATOM 304 CG LYS A 19 1.690 -3.762 -12.420 1.00 0.00 C ATOM 305 CD LYS A 19 1.231 -4.829 -13.401 1.00 0.00 C ATOM 306 CE LYS A 19 -0.203 -4.595 -13.848 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.954 -5.871 -14.002 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.519 -2.026 -10.613 1.00 0.00 H new ATOM 0 HA LYS A 19 4.985 -2.843 -11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.621 -4.624 -12.755 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.216 -4.405 -11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.077 -3.806 -11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.542 -2.775 -12.859 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.888 -4.832 -14.271 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.313 -5.811 -12.936 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.711 -3.961 -13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.204 -4.057 -14.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.927 -5.667 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.485 -6.466 -14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.976 -6.373 -13.091 1.00 0.00 H new ATOM 321 N ALA A 20 2.999 -0.988 -13.535 1.00 0.00 N ATOM 322 CA ALA A 20 2.822 -0.271 -14.788 1.00 0.00 C ATOM 323 C ALA A 20 3.992 0.668 -15.061 1.00 0.00 C ATOM 324 O ALA A 20 4.352 0.905 -16.214 1.00 0.00 O ATOM 325 CB ALA A 20 1.509 0.497 -14.758 1.00 0.00 C ATOM 0 H ALA A 20 2.387 -0.672 -12.783 1.00 0.00 H new ATOM 0 HA ALA A 20 2.792 -0.997 -15.600 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.379 1.033 -15.698 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.683 -0.200 -14.621 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.523 1.209 -13.933 1.00 0.00 H new ATOM 331 N LEU A 21 4.590 1.196 -13.996 1.00 0.00 N ATOM 332 CA LEU A 21 5.725 2.103 -14.134 1.00 0.00 C ATOM 333 C LEU A 21 6.983 1.341 -14.553 1.00 0.00 C ATOM 334 O LEU A 21 7.955 1.935 -15.017 1.00 0.00 O ATOM 335 CB LEU A 21 5.965 2.867 -12.825 1.00 0.00 C ATOM 336 CG LEU A 21 6.818 2.144 -11.773 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.190 2.794 -11.657 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.117 2.147 -10.423 1.00 0.00 C ATOM 0 H LEU A 21 4.309 1.012 -13.033 1.00 0.00 H new ATOM 0 HA LEU A 21 5.491 2.825 -14.916 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.445 3.816 -13.064 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.997 3.102 -12.381 1.00 0.00 H new ATOM 0 HG LEU A 21 6.951 1.110 -12.093 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.780 2.268 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.699 2.744 -12.620 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.075 3.837 -11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.737 1.630 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.954 3.175 -10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.157 1.638 -10.510 1.00 0.00 H new ATOM 350 N GLY A 22 6.952 0.020 -14.389 1.00 0.00 N ATOM 351 CA GLY A 22 8.088 -0.803 -14.757 1.00 0.00 C ATOM 352 C GLY A 22 8.276 -1.980 -13.820 1.00 0.00 C ATOM 353 O GLY A 22 7.357 -2.354 -13.092 1.00 0.00 O ATOM 0 H GLY A 22 6.158 -0.494 -14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.953 -1.170 -15.774 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.991 -0.193 -14.755 1.00 0.00 H new ATOM 357 N GLY A 23 9.467 -2.569 -13.839 1.00 0.00 N ATOM 358 CA GLY A 23 9.745 -3.704 -12.979 1.00 0.00 C ATOM 359 C GLY A 23 11.142 -4.256 -13.179 1.00 0.00 C ATOM 360 O GLY A 23 11.367 -5.097 -14.049 1.00 0.00 O ATOM 0 H GLY A 23 10.244 -2.281 -14.434 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.621 -3.406 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.016 -4.490 -13.174 1.00 0.00 H new ATOM 364 N GLY A 24 12.084 -3.782 -12.370 1.00 0.00 N ATOM 365 CA GLY A 24 13.455 -4.247 -12.477 1.00 0.00 C ATOM 366 C GLY A 24 14.403 -3.471 -11.585 1.00 0.00 C ATOM 367 O GLY A 24 15.141 -2.605 -12.056 1.00 0.00 O ATOM 0 H GLY A 24 11.923 -3.085 -11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.498 -5.304 -12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.784 -4.162 -13.513 1.00 0.00 H new ATOM 371 N GLY A 25 14.385 -3.783 -10.292 1.00 0.00 N ATOM 372 CA GLY A 25 15.255 -3.100 -9.352 1.00 0.00 C ATOM 373 C GLY A 25 14.497 -2.160 -8.436 1.00 0.00 C ATOM 374 O GLY A 25 13.758 -2.601 -7.555 1.00 0.00 O ATOM 0 H GLY A 25 13.784 -4.496 -9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.786 -3.838 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.008 -2.536 -9.903 1.00 0.00 H new ATOM 378 N ARG A 26 14.683 -0.859 -8.641 1.00 0.00 N ATOM 379 CA ARG A 26 14.015 0.153 -7.827 1.00 0.00 C ATOM 380 C ARG A 26 12.510 -0.093 -7.766 1.00 0.00 C ATOM 381 O ARG A 26 11.906 -0.028 -6.698 1.00 0.00 O ATOM 382 CB ARG A 26 14.288 1.553 -8.385 1.00 0.00 C ATOM 383 CG ARG A 26 14.052 1.672 -9.882 1.00 0.00 C ATOM 384 CD ARG A 26 14.414 3.056 -10.400 1.00 0.00 C ATOM 385 NE ARG A 26 15.827 3.368 -10.191 1.00 0.00 N ATOM 386 CZ ARG A 26 16.314 3.914 -9.077 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.510 4.206 -8.062 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 17.612 4.166 -8.977 1.00 0.00 N ATOM 0 H ARG A 26 15.292 -0.480 -9.366 1.00 0.00 H new ATOM 0 HA ARG A 26 14.417 0.084 -6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.651 2.271 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.320 1.827 -8.166 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.645 0.921 -10.405 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.005 1.463 -10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.183 3.117 -11.464 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.800 3.803 -9.897 1.00 0.00 H new ATOM 0 HE ARG A 26 16.481 3.155 -10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.511 4.013 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.891 4.624 -7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.236 3.942 -9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.986 4.584 -8.125 1.00 0.00 H new ATOM 402 N ILE A 27 11.914 -0.361 -8.921 1.00 0.00 N ATOM 403 CA ILE A 27 10.478 -0.609 -9.012 1.00 0.00 C ATOM 404 C ILE A 27 10.076 -1.913 -8.324 1.00 0.00 C ATOM 405 O ILE A 27 9.079 -1.962 -7.604 1.00 0.00 O ATOM 406 CB ILE A 27 10.011 -0.666 -10.481 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.588 0.509 -11.275 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.491 -0.662 -10.551 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.313 0.423 -12.760 1.00 0.00 C ATOM 0 H ILE A 27 12.405 -0.413 -9.814 1.00 0.00 H new ATOM 0 HA ILE A 27 9.995 0.225 -8.503 1.00 0.00 H new ATOM 0 HB ILE A 27 10.377 -1.591 -10.926 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.170 1.439 -10.889 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.665 0.552 -11.114 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.175 -0.702 -11.593 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.100 -1.529 -10.019 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.108 0.249 -10.091 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.750 1.287 -13.261 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.754 -0.490 -13.160 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.236 0.410 -12.931 1.00 0.00 H new ATOM 421 N GLU A 28 10.842 -2.972 -8.569 1.00 0.00 N ATOM 422 CA GLU A 28 10.553 -4.285 -7.995 1.00 0.00 C ATOM 423 C GLU A 28 10.562 -4.258 -6.468 1.00 0.00 C ATOM 424 O GLU A 28 9.659 -4.790 -5.826 1.00 0.00 O ATOM 425 CB GLU A 28 11.567 -5.314 -8.497 1.00 0.00 C ATOM 426 CG GLU A 28 11.334 -5.745 -9.936 1.00 0.00 C ATOM 427 CD GLU A 28 10.755 -7.143 -10.041 1.00 0.00 C ATOM 428 OE1 GLU A 28 11.224 -8.034 -9.302 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 9.835 -7.344 -10.860 1.00 0.00 O ATOM 0 H GLU A 28 11.671 -2.947 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 28 9.551 -4.566 -8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.570 -4.896 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.530 -6.192 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.658 -5.039 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.277 -5.705 -10.480 1.00 0.00 H new ATOM 436 N GLU A 29 11.586 -3.646 -5.894 1.00 0.00 N ATOM 437 CA GLU A 29 11.713 -3.562 -4.442 1.00 0.00 C ATOM 438 C GLU A 29 10.535 -2.815 -3.817 1.00 0.00 C ATOM 439 O GLU A 29 10.068 -3.165 -2.733 1.00 0.00 O ATOM 440 CB GLU A 29 13.026 -2.871 -4.064 1.00 0.00 C ATOM 441 CG GLU A 29 13.142 -1.451 -4.594 1.00 0.00 C ATOM 442 CD GLU A 29 14.300 -0.691 -3.978 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.375 -1.298 -3.789 1.00 0.00 O ATOM 444 OE2 GLU A 29 14.130 0.510 -3.682 1.00 0.00 O1- ATOM 0 H GLU A 29 12.344 -3.199 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 29 11.713 -4.580 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.118 -2.853 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.860 -3.461 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.266 -1.480 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.214 -0.916 -4.394 1.00 0.00 H new ATOM 451 N LEU A 30 10.084 -1.770 -4.497 1.00 0.00 N ATOM 452 CA LEU A 30 8.991 -0.940 -4.015 1.00 0.00 C ATOM 453 C LEU A 30 7.709 -1.741 -3.776 1.00 0.00 C ATOM 454 O LEU A 30 7.059 -1.582 -2.742 1.00 0.00 O ATOM 455 CB LEU A 30 8.732 0.171 -5.029 1.00 0.00 C ATOM 456 CG LEU A 30 8.580 1.573 -4.441 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.904 2.051 -3.866 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.080 2.540 -5.502 1.00 0.00 C ATOM 0 H LEU A 30 10.465 -1.475 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 30 9.284 -0.520 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.553 0.183 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.826 -0.072 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 30 7.847 1.535 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.780 3.051 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.227 1.369 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.655 2.076 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.977 3.535 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.792 2.576 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.112 2.204 -5.873 1.00 0.00 H new ATOM 470 N LYS A 31 7.340 -2.590 -4.729 1.00 0.00 N ATOM 471 CA LYS A 31 6.124 -3.392 -4.597 1.00 0.00 C ATOM 472 C LYS A 31 6.239 -4.402 -3.464 1.00 0.00 C ATOM 473 O LYS A 31 5.252 -4.694 -2.794 1.00 0.00 O ATOM 474 CB LYS A 31 5.756 -4.100 -5.903 1.00 0.00 C ATOM 475 CG LYS A 31 6.944 -4.556 -6.734 1.00 0.00 C ATOM 476 CD LYS A 31 6.497 -5.348 -7.953 1.00 0.00 C ATOM 477 CE LYS A 31 6.383 -4.460 -9.182 1.00 0.00 C ATOM 478 NZ LYS A 31 5.727 -5.166 -10.318 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.858 -2.742 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 31 5.321 -2.696 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.139 -4.968 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.145 -3.428 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.521 -3.688 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.604 -5.170 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.208 -6.151 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.534 -5.817 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.812 -3.566 -8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.377 -4.130 -9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.774 -4.572 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.216 -6.066 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.732 -5.354 -10.082 1.00 0.00 H new ATOM 492 N LYS A 32 7.437 -4.937 -3.249 1.00 0.00 N ATOM 493 CA LYS A 32 7.648 -5.912 -2.187 1.00 0.00 C ATOM 494 C LYS A 32 7.216 -5.326 -0.849 1.00 0.00 C ATOM 495 O LYS A 32 6.597 -6.004 -0.031 1.00 0.00 O ATOM 496 CB LYS A 32 9.119 -6.328 -2.133 1.00 0.00 C ATOM 497 CG LYS A 32 9.411 -7.602 -2.905 1.00 0.00 C ATOM 498 CD LYS A 32 8.999 -7.481 -4.364 1.00 0.00 C ATOM 499 CE LYS A 32 10.073 -8.024 -5.293 1.00 0.00 C ATOM 500 NZ LYS A 32 9.498 -8.536 -6.569 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.271 -4.713 -3.792 1.00 0.00 H new ATOM 0 HA LYS A 32 7.045 -6.796 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.733 -5.521 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.412 -6.467 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.476 -7.828 -2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.881 -8.436 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.068 -8.024 -4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.805 -6.435 -4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.796 -7.238 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.615 -8.826 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.158 -8.344 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.341 -9.561 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.592 -8.061 -6.757 1.00 0.00 H new ATOM 514 N LYS A 33 7.522 -4.050 -0.651 1.00 0.00 N ATOM 515 CA LYS A 33 7.141 -3.353 0.568 1.00 0.00 C ATOM 516 C LYS A 33 5.621 -3.267 0.659 1.00 0.00 C ATOM 517 O LYS A 33 5.043 -3.340 1.743 1.00 0.00 O ATOM 518 CB LYS A 33 7.752 -1.950 0.597 1.00 0.00 C ATOM 519 CG LYS A 33 7.685 -1.288 1.964 1.00 0.00 C ATOM 520 CD LYS A 33 9.047 -0.773 2.406 1.00 0.00 C ATOM 521 CE LYS A 33 9.797 -1.812 3.226 1.00 0.00 C ATOM 522 NZ LYS A 33 10.419 -1.216 4.440 1.00 0.00 N1+ ATOM 0 H LYS A 33 8.034 -3.477 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 33 7.520 -3.910 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.794 -2.009 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.234 -1.322 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.975 -0.461 1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.311 -2.003 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.637 -0.504 1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.920 0.135 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.111 -2.606 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.570 -2.272 2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.921 -1.956 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.093 -0.476 4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.679 -0.799 5.040 1.00 0.00 H new ATOM 536 N TYR A 34 4.985 -3.106 -0.500 1.00 0.00 N ATOM 537 CA TYR A 34 3.532 -3.002 -0.579 1.00 0.00 C ATOM 538 C TYR A 34 2.856 -4.222 0.049 1.00 0.00 C ATOM 539 O TYR A 34 1.821 -4.097 0.702 1.00 0.00 O ATOM 540 CB TYR A 34 3.090 -2.845 -2.039 1.00 0.00 C ATOM 541 CG TYR A 34 2.255 -1.614 -2.289 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.900 -1.595 -1.988 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.824 -0.468 -2.829 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.135 -0.469 -2.218 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.065 0.662 -3.061 1.00 0.00 C ATOM 546 CZ TYR A 34 0.723 0.655 -2.752 1.00 0.00 C ATOM 547 OH TYR A 34 -0.036 1.777 -2.978 1.00 0.00 O ATOM 0 H TYR A 34 5.458 -3.045 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 34 3.226 -2.119 -0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.974 -2.809 -2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.520 -3.726 -2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.437 -2.475 -1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.876 -0.460 -3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.919 -0.470 -1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.521 1.546 -3.482 1.00 0.00 H new ATOM 0 HH TYR A 34 0.509 2.577 -2.826 1.00 0.00 H new ATOM 557 N GLU A 35 3.446 -5.400 -0.144 1.00 0.00 N ATOM 558 CA GLU A 35 2.893 -6.630 0.416 1.00 0.00 C ATOM 559 C GLU A 35 2.754 -6.510 1.929 1.00 0.00 C ATOM 560 O GLU A 35 1.742 -6.905 2.507 1.00 0.00 O ATOM 561 CB GLU A 35 3.783 -7.824 0.063 1.00 0.00 C ATOM 562 CG GLU A 35 3.364 -8.541 -1.210 1.00 0.00 C ATOM 563 CD GLU A 35 2.295 -9.588 -0.963 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.483 -10.424 -0.055 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 1.272 -9.571 -1.678 1.00 0.00 O ATOM 0 H GLU A 35 4.303 -5.528 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 35 1.905 -6.790 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.812 -7.480 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.770 -8.533 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.993 -7.811 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.236 -9.016 -1.659 1.00 0.00 H new ATOM 572 N GLU A 36 3.778 -5.942 2.560 1.00 0.00 N ATOM 573 CA GLU A 36 3.779 -5.744 4.004 1.00 0.00 C ATOM 574 C GLU A 36 2.581 -4.899 4.424 1.00 0.00 C ATOM 575 O GLU A 36 1.982 -5.127 5.474 1.00 0.00 O ATOM 576 CB GLU A 36 5.078 -5.071 4.449 1.00 0.00 C ATOM 577 CG GLU A 36 5.540 -5.493 5.833 1.00 0.00 C ATOM 578 CD GLU A 36 6.322 -4.407 6.545 1.00 0.00 C ATOM 579 OE1 GLU A 36 5.900 -3.233 6.481 1.00 0.00 O ATOM 580 OE2 GLU A 36 7.356 -4.730 7.166 1.00 0.00 O1- ATOM 0 H GLU A 36 4.620 -5.610 2.090 1.00 0.00 H new ATOM 0 HA GLU A 36 3.707 -6.719 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.862 -5.301 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.940 -3.990 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.672 -5.764 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.160 -6.385 5.748 1.00 0.00 H new ATOM 587 N LEU A 37 2.248 -3.918 3.593 1.00 0.00 N ATOM 588 CA LEU A 37 1.129 -3.022 3.861 1.00 0.00 C ATOM 589 C LEU A 37 -0.176 -3.801 4.006 1.00 0.00 C ATOM 590 O LEU A 37 -0.996 -3.500 4.874 1.00 0.00 O ATOM 591 CB LEU A 37 1.003 -2.002 2.726 1.00 0.00 C ATOM 592 CG LEU A 37 1.282 -0.551 3.114 1.00 0.00 C ATOM 593 CD1 LEU A 37 1.525 0.289 1.873 1.00 0.00 C ATOM 594 CD2 LEU A 37 0.125 0.013 3.924 1.00 0.00 C ATOM 0 H LEU A 37 2.741 -3.722 2.722 1.00 0.00 H new ATOM 0 HA LEU A 37 1.321 -2.503 4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.690 -2.285 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.005 -2.063 2.316 1.00 0.00 H new ATOM 0 HG LEU A 37 2.180 -0.522 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.722 1.321 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.384 -0.105 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.644 0.255 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.339 1.047 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.788 -0.026 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.006 -0.578 4.831 1.00 0.00 H new ATOM 606 N LYS A 38 -0.363 -4.802 3.151 1.00 0.00 N ATOM 607 CA LYS A 38 -1.570 -5.621 3.185 1.00 0.00 C ATOM 608 C LYS A 38 -1.724 -6.310 4.537 1.00 0.00 C ATOM 609 O LYS A 38 -2.828 -6.412 5.070 1.00 0.00 O ATOM 610 CB LYS A 38 -1.532 -6.667 2.068 1.00 0.00 C ATOM 611 CG LYS A 38 -1.573 -6.067 0.672 1.00 0.00 C ATOM 612 CD LYS A 38 -2.444 -6.889 -0.267 1.00 0.00 C ATOM 613 CE LYS A 38 -1.604 -7.719 -1.225 1.00 0.00 C ATOM 614 NZ LYS A 38 -1.509 -7.087 -2.570 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.305 -5.065 2.427 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.428 -4.966 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.626 -7.264 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.377 -7.346 2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.956 -5.048 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.561 -6.007 0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.089 -7.547 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.096 -6.225 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.603 -7.847 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.039 -8.714 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.609 -7.355 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.300 -7.411 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.552 -6.053 -2.471 1.00 0.00 H new ATOM 628 N LYS A 39 -0.609 -6.781 5.083 1.00 0.00 N ATOM 629 CA LYS A 39 -0.606 -7.463 6.371 1.00 0.00 C ATOM 630 C LYS A 39 -1.117 -6.551 7.483 1.00 0.00 C ATOM 631 O LYS A 39 -1.812 -7.001 8.389 1.00 0.00 O ATOM 632 CB LYS A 39 0.805 -7.955 6.705 1.00 0.00 C ATOM 633 CG LYS A 39 0.868 -9.438 7.040 1.00 0.00 C ATOM 634 CD LYS A 39 1.666 -9.692 8.311 1.00 0.00 C ATOM 635 CE LYS A 39 0.761 -10.073 9.471 1.00 0.00 C ATOM 636 NZ LYS A 39 -0.226 -9.002 9.782 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.311 -6.702 4.650 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.278 -8.318 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.461 -7.754 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.190 -7.383 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.143 -9.828 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.322 -9.980 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.388 -10.489 8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.234 -8.798 8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.232 -10.995 9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.368 -10.274 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.812 -9.294 10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.278 -8.124 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.834 -8.839 8.954 1.00 0.00 H new ATOM 650 N LYS A 40 -0.759 -5.272 7.412 1.00 0.00 N ATOM 651 CA LYS A 40 -1.177 -4.299 8.418 1.00 0.00 C ATOM 652 C LYS A 40 -2.698 -4.176 8.468 1.00 0.00 C ATOM 653 O LYS A 40 -3.282 -3.983 9.535 1.00 0.00 O ATOM 654 CB LYS A 40 -0.553 -2.933 8.124 1.00 0.00 C ATOM 655 CG LYS A 40 -0.088 -2.198 9.369 1.00 0.00 C ATOM 656 CD LYS A 40 0.931 -1.120 9.032 1.00 0.00 C ATOM 657 CE LYS A 40 2.192 -1.715 8.428 1.00 0.00 C ATOM 658 NZ LYS A 40 2.149 -1.726 6.939 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.180 -4.884 6.667 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.831 -4.651 9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.295 -3.067 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.281 -2.316 7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.946 -1.746 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.351 -2.908 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.492 -0.409 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.186 -0.564 9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.058 -1.143 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.323 -2.733 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.363 -2.683 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.201 -1.445 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.853 -1.058 6.566 1.00 0.00 H new ATOM 672 N ILE A 41 -3.331 -4.298 7.308 1.00 0.00 N ATOM 673 CA ILE A 41 -4.783 -4.210 7.210 1.00 0.00 C ATOM 674 C ILE A 41 -5.430 -5.408 7.892 1.00 0.00 C ATOM 675 O ILE A 41 -6.496 -5.300 8.495 1.00 0.00 O ATOM 676 CB ILE A 41 -5.244 -4.152 5.739 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.517 -3.029 4.998 1.00 0.00 C ATOM 678 CG2 ILE A 41 -6.752 -3.957 5.657 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.699 -3.079 3.497 1.00 0.00 C ATOM 0 H ILE A 41 -2.859 -4.459 6.418 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.092 -3.291 7.708 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.996 -5.100 5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.876 -2.069 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.453 -3.082 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.058 -3.919 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.254 -4.789 6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.026 -3.024 6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.156 -2.253 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.313 -4.024 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.759 -2.996 3.256 1.00 0.00 H new ATOM 691 N GLU A 42 -4.763 -6.548 7.790 1.00 0.00 N ATOM 692 CA GLU A 42 -5.241 -7.781 8.391 1.00 0.00 C ATOM 693 C GLU A 42 -5.286 -7.664 9.913 1.00 0.00 C ATOM 694 O GLU A 42 -6.142 -8.259 10.567 1.00 0.00 O ATOM 695 CB GLU A 42 -4.333 -8.945 7.978 1.00 0.00 C ATOM 696 CG GLU A 42 -5.041 -10.004 7.149 1.00 0.00 C ATOM 697 CD GLU A 42 -4.856 -11.402 7.705 1.00 0.00 C ATOM 698 OE1 GLU A 42 -3.806 -12.018 7.427 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -5.764 -11.881 8.416 1.00 0.00 O ATOM 0 H GLU A 42 -3.879 -6.643 7.290 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.254 -7.970 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.490 -8.553 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.923 -9.411 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.105 -9.773 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.664 -9.971 6.127 1.00 0.00 H new ATOM 706 N GLU A 43 -4.345 -6.906 10.468 1.00 0.00 N ATOM 707 CA GLU A 43 -4.259 -6.722 11.914 1.00 0.00 C ATOM 708 C GLU A 43 -5.415 -5.883 12.451 1.00 0.00 C ATOM 709 O GLU A 43 -6.058 -6.258 13.431 1.00 0.00 O ATOM 710 CB GLU A 43 -2.928 -6.064 12.281 1.00 0.00 C ATOM 711 CG GLU A 43 -1.716 -6.930 11.978 1.00 0.00 C ATOM 712 CD GLU A 43 -0.414 -6.273 12.390 1.00 0.00 C ATOM 713 OE1 GLU A 43 -0.096 -6.289 13.599 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 0.290 -5.743 11.505 1.00 0.00 O ATOM 0 H GLU A 43 -3.630 -6.408 9.938 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.321 -7.708 12.374 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.836 -5.123 11.739 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.934 -5.821 13.343 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.817 -7.884 12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.687 -7.148 10.910 1.00 0.00 H new ATOM 721 N LEU A 44 -5.670 -4.743 11.817 1.00 0.00 N ATOM 722 CA LEU A 44 -6.746 -3.858 12.254 1.00 0.00 C ATOM 723 C LEU A 44 -8.090 -4.580 12.238 1.00 0.00 C ATOM 724 O LEU A 44 -8.557 -5.024 11.190 1.00 0.00 O ATOM 725 CB LEU A 44 -6.799 -2.601 11.376 1.00 0.00 C ATOM 726 CG LEU A 44 -7.497 -2.769 10.023 1.00 0.00 C ATOM 727 CD1 LEU A 44 -8.959 -2.360 10.122 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.785 -1.956 8.952 1.00 0.00 C ATOM 0 H LEU A 44 -5.151 -4.411 11.004 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.538 -3.555 13.280 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.307 -1.813 11.931 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.779 -2.260 11.199 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.454 -3.821 9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.439 -2.486 9.151 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.463 -2.985 10.859 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.025 -1.315 10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.294 -2.087 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.797 -0.902 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.753 -2.296 8.863 1.00 0.00 H new ATOM 740 N GLY A 45 -8.708 -4.696 13.411 1.00 0.00 N ATOM 741 CA GLY A 45 -9.992 -5.365 13.510 1.00 0.00 C ATOM 742 C GLY A 45 -11.107 -4.422 13.916 1.00 0.00 C ATOM 743 O GLY A 45 -12.189 -4.443 13.331 1.00 0.00 O ATOM 0 H GLY A 45 -8.342 -4.339 14.293 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.236 -5.820 12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.922 -6.174 14.237 1.00 0.00 H new ATOM 747 N GLY A 46 -10.842 -3.596 14.923 1.00 0.00 N ATOM 748 CA GLY A 46 -11.841 -2.652 15.390 1.00 0.00 C ATOM 749 C GLY A 46 -12.230 -1.645 14.326 1.00 0.00 C ATOM 750 O GLY A 46 -12.239 -1.961 13.136 1.00 0.00 O ATOM 0 H GLY A 46 -9.954 -3.563 15.424 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.729 -3.197 15.712 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.457 -2.124 16.263 1.00 0.00 H new ATOM 754 N GLY A 47 -12.551 -0.429 14.754 1.00 0.00 N ATOM 755 CA GLY A 47 -12.937 0.610 13.817 1.00 0.00 C ATOM 756 C GLY A 47 -12.195 1.910 14.054 1.00 0.00 C ATOM 757 O GLY A 47 -12.012 2.329 15.197 1.00 0.00 O ATOM 0 H GLY A 47 -12.551 -0.144 15.733 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.746 0.267 12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.009 0.788 13.898 1.00 0.00 H new ATOM 761 N GLY A 48 -11.766 2.550 12.970 1.00 0.00 N ATOM 762 CA GLY A 48 -11.044 3.802 13.087 1.00 0.00 C ATOM 763 C GLY A 48 -9.594 3.680 12.660 1.00 0.00 C ATOM 764 O GLY A 48 -8.949 4.676 12.335 1.00 0.00 O ATOM 0 H GLY A 48 -11.906 2.223 12.014 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.536 4.560 12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.087 4.147 14.120 1.00 0.00 H new ATOM 768 N GLU A 49 -9.077 2.454 12.663 1.00 0.00 N ATOM 769 CA GLU A 49 -7.694 2.205 12.274 1.00 0.00 C ATOM 770 C GLU A 49 -7.550 2.167 10.755 1.00 0.00 C ATOM 771 O GLU A 49 -6.485 2.463 10.216 1.00 0.00 O ATOM 772 CB GLU A 49 -7.200 0.889 12.878 1.00 0.00 C ATOM 773 CG GLU A 49 -5.752 0.570 12.540 1.00 0.00 C ATOM 774 CD GLU A 49 -4.881 0.432 13.774 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.988 -0.604 14.463 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -4.092 1.360 14.051 1.00 0.00 O ATOM 0 H GLU A 49 -9.596 1.618 12.931 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.085 3.024 12.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.310 0.932 13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.834 0.076 12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.712 -0.356 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.350 1.357 11.902 1.00 0.00 H new ATOM 783 N VAL A 50 -8.629 1.799 10.069 1.00 0.00 N ATOM 784 CA VAL A 50 -8.621 1.722 8.612 1.00 0.00 C ATOM 785 C VAL A 50 -8.163 3.038 7.991 1.00 0.00 C ATOM 786 O VAL A 50 -7.564 3.053 6.917 1.00 0.00 O ATOM 787 CB VAL A 50 -10.012 1.367 8.057 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.381 -0.066 8.409 1.00 0.00 C ATOM 789 CG2 VAL A 50 -11.060 2.339 8.580 1.00 0.00 C ATOM 0 H VAL A 50 -9.520 1.550 10.499 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.919 0.932 8.346 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.980 1.452 6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.368 -0.297 8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.646 -0.747 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.394 -0.183 9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.037 2.072 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.091 2.290 9.668 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.804 3.352 8.270 1.00 0.00 H new ATOM 799 N LYS A 51 -8.450 4.140 8.676 1.00 0.00 N ATOM 800 CA LYS A 51 -8.068 5.462 8.192 1.00 0.00 C ATOM 801 C LYS A 51 -6.554 5.649 8.243 1.00 0.00 C ATOM 802 O LYS A 51 -5.960 6.237 7.340 1.00 0.00 O ATOM 803 CB LYS A 51 -8.755 6.548 9.020 1.00 0.00 C ATOM 804 CG LYS A 51 -10.106 6.972 8.467 1.00 0.00 C ATOM 805 CD LYS A 51 -11.154 5.889 8.664 1.00 0.00 C ATOM 806 CE LYS A 51 -12.042 6.184 9.864 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.245 6.450 11.092 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.946 4.144 9.568 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.389 5.546 7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.886 6.187 10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.103 7.420 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.431 7.888 8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.011 7.199 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.768 5.808 7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.662 4.926 8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.672 7.046 9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.708 5.339 10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.880 6.495 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.554 5.685 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.744 7.356 10.991 1.00 0.00 H new ATOM 821 N LYS A 52 -5.937 5.149 9.309 1.00 0.00 N ATOM 822 CA LYS A 52 -4.492 5.264 9.482 1.00 0.00 C ATOM 823 C LYS A 52 -3.745 4.438 8.439 1.00 0.00 C ATOM 824 O LYS A 52 -2.666 4.819 7.989 1.00 0.00 O ATOM 825 CB LYS A 52 -4.089 4.818 10.889 1.00 0.00 C ATOM 826 CG LYS A 52 -4.009 5.962 11.888 1.00 0.00 C ATOM 827 CD LYS A 52 -4.600 5.571 13.233 1.00 0.00 C ATOM 828 CE LYS A 52 -4.085 6.467 14.348 1.00 0.00 C ATOM 829 NZ LYS A 52 -4.725 6.151 15.654 1.00 0.00 N1+ ATOM 0 H LYS A 52 -6.415 4.660 10.066 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.220 6.311 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.808 4.082 11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.121 4.320 10.840 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.969 6.259 12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.541 6.828 11.494 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.687 5.634 13.186 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.350 4.533 13.454 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.005 6.353 14.436 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.275 7.510 14.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.347 6.784 16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.754 6.285 15.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.522 5.164 15.910 1.00 0.00 H new ATOM 843 N VAL A 53 -4.327 3.305 8.060 1.00 0.00 N ATOM 844 CA VAL A 53 -3.718 2.420 7.072 1.00 0.00 C ATOM 845 C VAL A 53 -3.643 3.085 5.702 1.00 0.00 C ATOM 846 O VAL A 53 -2.663 2.916 4.984 1.00 0.00 O ATOM 847 CB VAL A 53 -4.497 1.097 6.946 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.761 0.125 6.035 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.733 0.483 8.318 1.00 0.00 C ATOM 0 H VAL A 53 -5.222 2.977 8.423 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.708 2.208 7.423 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.468 1.310 6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.328 -0.803 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.653 0.566 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.774 -0.085 6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.285 -0.451 8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.774 0.284 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.309 1.175 8.932 1.00 0.00 H new ATOM 859 N GLU A 54 -4.680 3.834 5.343 1.00 0.00 N ATOM 860 CA GLU A 54 -4.718 4.516 4.051 1.00 0.00 C ATOM 861 C GLU A 54 -3.535 5.467 3.901 1.00 0.00 C ATOM 862 O GLU A 54 -2.999 5.638 2.809 1.00 0.00 O ATOM 863 CB GLU A 54 -6.030 5.288 3.893 1.00 0.00 C ATOM 864 CG GLU A 54 -7.255 4.507 4.343 1.00 0.00 C ATOM 865 CD GLU A 54 -8.508 4.902 3.586 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.960 6.055 3.747 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.037 4.059 2.833 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.504 3.985 5.925 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.654 3.759 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.969 6.213 4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.153 5.569 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.073 3.441 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.413 4.668 5.409 1.00 0.00 H new ATOM 874 N GLU A 55 -3.131 6.079 5.007 1.00 0.00 N ATOM 875 CA GLU A 55 -2.004 7.006 5.005 1.00 0.00 C ATOM 876 C GLU A 55 -0.692 6.260 4.784 1.00 0.00 C ATOM 877 O GLU A 55 0.224 6.762 4.133 1.00 0.00 O ATOM 878 CB GLU A 55 -1.949 7.780 6.324 1.00 0.00 C ATOM 879 CG GLU A 55 -1.359 9.174 6.186 1.00 0.00 C ATOM 880 CD GLU A 55 0.077 9.249 6.666 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.325 8.937 7.850 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.955 9.621 5.859 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.568 5.950 5.920 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.145 7.711 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.957 7.860 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.358 7.214 7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.406 9.483 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.966 9.879 6.754 1.00 0.00 H new ATOM 889 N GLU A 56 -0.612 5.061 5.351 1.00 0.00 N ATOM 890 CA GLU A 56 0.582 4.229 5.250 1.00 0.00 C ATOM 891 C GLU A 56 0.936 3.922 3.795 1.00 0.00 C ATOM 892 O GLU A 56 2.107 3.945 3.416 1.00 0.00 O ATOM 893 CB GLU A 56 0.354 2.924 6.017 1.00 0.00 C ATOM 894 CG GLU A 56 0.859 2.964 7.448 1.00 0.00 C ATOM 895 CD GLU A 56 2.268 2.424 7.586 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.140 2.825 6.785 1.00 0.00 O ATOM 897 OE2 GLU A 56 2.503 1.599 8.494 1.00 0.00 O1- ATOM 0 H GLU A 56 -1.368 4.640 5.891 1.00 0.00 H new ATOM 0 HA GLU A 56 1.418 4.778 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.712 2.697 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.850 2.110 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.831 3.992 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.188 2.384 8.082 1.00 0.00 H new ATOM 904 N VAL A 57 -0.077 3.634 2.988 1.00 0.00 N ATOM 905 CA VAL A 57 0.130 3.320 1.579 1.00 0.00 C ATOM 906 C VAL A 57 0.514 4.565 0.783 1.00 0.00 C ATOM 907 O VAL A 57 1.298 4.487 -0.161 1.00 0.00 O ATOM 908 CB VAL A 57 -1.109 2.646 0.943 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.218 3.657 0.677 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.716 1.927 -0.341 1.00 0.00 C ATOM 0 H VAL A 57 -1.052 3.611 3.285 1.00 0.00 H new ATOM 0 HA VAL A 57 0.955 2.609 1.539 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.496 1.914 1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.073 3.150 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.521 4.120 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.854 4.425 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.597 1.457 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.299 2.645 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.029 1.164 -0.117 1.00 0.00 H new ATOM 920 N LYS A 58 -0.050 5.709 1.163 1.00 0.00 N ATOM 921 CA LYS A 58 0.226 6.968 0.479 1.00 0.00 C ATOM 922 C LYS A 58 1.727 7.239 0.422 1.00 0.00 C ATOM 923 O LYS A 58 2.227 7.820 -0.539 1.00 0.00 O ATOM 924 CB LYS A 58 -0.491 8.123 1.183 1.00 0.00 C ATOM 925 CG LYS A 58 -1.405 8.921 0.266 1.00 0.00 C ATOM 926 CD LYS A 58 -0.773 10.242 -0.139 1.00 0.00 C ATOM 927 CE LYS A 58 -1.044 11.328 0.890 1.00 0.00 C ATOM 928 NZ LYS A 58 -2.395 11.931 0.720 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.702 5.789 1.943 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.147 6.889 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.078 7.725 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.253 8.793 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.629 8.335 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.353 9.109 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.303 10.111 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.164 10.552 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.958 10.908 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.286 12.106 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.540 12.667 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.469 12.355 -0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.120 11.193 0.827 1.00 0.00 H new ATOM 942 N LYS A 59 2.441 6.813 1.453 1.00 0.00 N ATOM 943 CA LYS A 59 3.885 7.003 1.509 1.00 0.00 C ATOM 944 C LYS A 59 4.581 6.164 0.439 1.00 0.00 C ATOM 945 O LYS A 59 5.569 6.589 -0.158 1.00 0.00 O ATOM 946 CB LYS A 59 4.417 6.629 2.893 1.00 0.00 C ATOM 947 CG LYS A 59 3.668 7.297 4.035 1.00 0.00 C ATOM 948 CD LYS A 59 3.963 6.622 5.365 1.00 0.00 C ATOM 949 CE LYS A 59 5.004 7.390 6.164 1.00 0.00 C ATOM 950 NZ LYS A 59 4.526 7.708 7.538 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.046 6.334 2.262 1.00 0.00 H new ATOM 0 HA LYS A 59 4.098 8.055 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.359 5.547 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.471 6.900 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.949 8.349 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.596 7.263 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.044 6.543 5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.316 5.606 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.920 6.803 6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.252 8.315 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.264 8.232 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.666 8.290 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.313 6.825 8.045 1.00 0.00 H new ATOM 964 N LEU A 60 4.061 4.959 0.217 1.00 0.00 N ATOM 965 CA LEU A 60 4.630 4.038 -0.764 1.00 0.00 C ATOM 966 C LEU A 60 4.644 4.635 -2.173 1.00 0.00 C ATOM 967 O LEU A 60 5.645 4.536 -2.882 1.00 0.00 O ATOM 968 CB LEU A 60 3.836 2.731 -0.765 1.00 0.00 C ATOM 969 CG LEU A 60 4.672 1.458 -0.906 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.318 1.394 -2.281 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.730 1.392 0.186 1.00 0.00 C ATOM 0 H LEU A 60 3.243 4.596 0.706 1.00 0.00 H new ATOM 0 HA LEU A 60 5.664 3.847 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.266 2.671 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.114 2.764 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 60 4.012 0.598 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.909 0.482 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.543 1.395 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.966 2.260 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.316 0.480 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.388 2.258 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.246 1.391 1.162 1.00 0.00 H new ATOM 983 N GLU A 61 3.537 5.251 -2.577 1.00 0.00 N ATOM 984 CA GLU A 61 3.447 5.853 -3.906 1.00 0.00 C ATOM 985 C GLU A 61 4.400 7.035 -4.030 1.00 0.00 C ATOM 986 O GLU A 61 4.957 7.283 -5.099 1.00 0.00 O ATOM 987 CB GLU A 61 2.010 6.287 -4.225 1.00 0.00 C ATOM 988 CG GLU A 61 1.353 7.125 -3.141 1.00 0.00 C ATOM 989 CD GLU A 61 1.766 8.584 -3.193 1.00 0.00 C ATOM 990 OE1 GLU A 61 2.478 8.967 -4.145 1.00 0.00 O ATOM 991 OE2 GLU A 61 1.375 9.344 -2.284 1.00 0.00 O1- ATOM 0 H GLU A 61 2.695 5.347 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 61 3.739 5.095 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.013 6.855 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.404 5.397 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.270 7.055 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.610 6.714 -2.165 1.00 0.00 H new ATOM 998 N GLU A 62 4.595 7.753 -2.930 1.00 0.00 N ATOM 999 CA GLU A 62 5.495 8.902 -2.912 1.00 0.00 C ATOM 1000 C GLU A 62 6.875 8.493 -3.412 1.00 0.00 C ATOM 1001 O GLU A 62 7.551 9.252 -4.104 1.00 0.00 O ATOM 1002 CB GLU A 62 5.598 9.480 -1.499 1.00 0.00 C ATOM 1003 CG GLU A 62 4.301 10.092 -0.995 1.00 0.00 C ATOM 1004 CD GLU A 62 4.424 11.578 -0.720 1.00 0.00 C ATOM 1005 OE1 GLU A 62 5.260 12.236 -1.374 1.00 0.00 O ATOM 1006 OE2 GLU A 62 3.683 12.084 0.150 1.00 0.00 O1- ATOM 0 H GLU A 62 4.141 7.560 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 62 5.091 9.670 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.907 8.690 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.379 10.240 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.515 9.927 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.994 9.582 -0.082 1.00 0.00 H new ATOM 1013 N GLU A 63 7.277 7.280 -3.058 1.00 0.00 N ATOM 1014 CA GLU A 63 8.566 6.743 -3.471 1.00 0.00 C ATOM 1015 C GLU A 63 8.564 6.438 -4.965 1.00 0.00 C ATOM 1016 O GLU A 63 9.593 6.539 -5.632 1.00 0.00 O ATOM 1017 CB GLU A 63 8.897 5.476 -2.680 1.00 0.00 C ATOM 1018 CG GLU A 63 8.666 5.611 -1.185 1.00 0.00 C ATOM 1019 CD GLU A 63 9.621 6.590 -0.531 1.00 0.00 C ATOM 1020 OE1 GLU A 63 9.833 7.682 -1.100 1.00 0.00 O ATOM 1021 OE2 GLU A 63 10.158 6.265 0.549 1.00 0.00 O1- ATOM 0 H GLU A 63 6.724 6.645 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 63 9.329 7.494 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.291 4.653 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.940 5.211 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.641 5.937 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.776 4.634 -0.715 1.00 0.00 H new ATOM 1028 N ILE A 64 7.400 6.047 -5.479 1.00 0.00 N ATOM 1029 CA ILE A 64 7.260 5.708 -6.894 1.00 0.00 C ATOM 1030 C ILE A 64 7.690 6.862 -7.798 1.00 0.00 C ATOM 1031 O ILE A 64 8.430 6.661 -8.761 1.00 0.00 O ATOM 1032 CB ILE A 64 5.806 5.318 -7.235 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.364 4.120 -6.392 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.668 5.002 -8.720 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.935 3.695 -6.648 1.00 0.00 C ATOM 0 H ILE A 64 6.540 5.957 -4.937 1.00 0.00 H new ATOM 0 HA ILE A 64 7.915 4.856 -7.074 1.00 0.00 H new ATOM 0 HB ILE A 64 5.160 6.165 -7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.027 3.279 -6.595 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.477 4.367 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.636 4.729 -8.940 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.944 5.879 -9.306 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.325 4.172 -8.978 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.691 2.841 -6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.263 4.521 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.820 3.416 -7.695 1.00 0.00 H new ATOM 1047 N LYS A 65 7.219 8.066 -7.492 1.00 0.00 N ATOM 1048 CA LYS A 65 7.556 9.239 -8.289 1.00 0.00 C ATOM 1049 C LYS A 65 9.005 9.665 -8.059 1.00 0.00 C ATOM 1050 O LYS A 65 9.589 10.375 -8.879 1.00 0.00 O ATOM 1051 CB LYS A 65 6.605 10.390 -7.956 1.00 0.00 C ATOM 1052 CG LYS A 65 6.797 10.954 -6.557 1.00 0.00 C ATOM 1053 CD LYS A 65 7.560 12.269 -6.583 1.00 0.00 C ATOM 1054 CE LYS A 65 6.763 13.396 -5.942 1.00 0.00 C ATOM 1055 NZ LYS A 65 6.318 14.404 -6.944 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.604 8.255 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 65 7.446 8.978 -9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.747 11.189 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.577 10.043 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.824 11.106 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.336 10.232 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.508 12.150 -6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.797 12.532 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.893 12.981 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.373 13.885 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.779 15.154 -6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.149 14.819 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.715 13.944 -7.655 1.00 0.00 H new ATOM 1069 N LYS A 66 9.580 9.229 -6.943 1.00 0.00 N ATOM 1070 CA LYS A 66 10.960 9.566 -6.610 1.00 0.00 C ATOM 1071 C LYS A 66 11.946 8.669 -7.356 1.00 0.00 C ATOM 1072 O LYS A 66 13.136 8.972 -7.434 1.00 0.00 O ATOM 1073 CB LYS A 66 11.185 9.443 -5.103 1.00 0.00 C ATOM 1074 CG LYS A 66 10.546 10.563 -4.300 1.00 0.00 C ATOM 1075 CD LYS A 66 11.334 10.861 -3.035 1.00 0.00 C ATOM 1076 CE LYS A 66 10.882 12.161 -2.387 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.868 13.256 -2.591 1.00 0.00 N1+ ATOM 0 H LYS A 66 9.112 8.641 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 66 11.136 10.597 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.785 8.488 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.257 9.430 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.485 11.463 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.525 10.287 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.213 10.040 -2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.396 10.922 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.919 12.458 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.733 12.001 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.522 14.124 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.780 12.984 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.992 13.426 -3.609 1.00 0.00 H new ATOM 1091 N LEU A 67 11.447 7.561 -7.900 1.00 0.00 N ATOM 1092 CA LEU A 67 12.292 6.625 -8.633 1.00 0.00 C ATOM 1093 C LEU A 67 12.299 6.948 -10.126 1.00 0.00 C ATOM 1094 O LEU A 67 13.292 6.605 -10.799 1.00 0.00 O ATOM 1095 CB LEU A 67 11.814 5.185 -8.398 1.00 0.00 C ATOM 1096 CG LEU A 67 10.702 4.696 -9.333 1.00 0.00 C ATOM 1097 CD1 LEU A 67 11.283 3.859 -10.462 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.663 3.900 -8.557 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.310 7.541 -10.607 1.00 0.00 O ATOM 0 H LEU A 67 10.465 7.291 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 67 13.312 6.723 -8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.669 4.516 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.463 5.101 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 67 10.212 5.567 -9.769 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.479 3.521 -11.115 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.988 4.461 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.800 2.994 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.882 3.561 -9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.139 3.037 -8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.223 4.531 -7.785 1.00 0.00 H new