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+ 134:sc= 0.0214 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -141:sc= -2.52 (180deg=-3.7) USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= -0.0841 (180deg=-0.554) USER MOD Single : A 17 LYS NZ :NH3+ 141:sc= 0.39 (180deg=-1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= -2.08 (180deg=-5.64!) 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 131:sc= -10.2! 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+ -118:sc= -1.29 (180deg=-4.09!) USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= -0.356 (180deg=-1.29!) 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 1 N GLY A 1 -17.188 -7.777 9.129 1.00 0.00 N ATOM 2 CA GLY A 1 -16.190 -6.857 8.516 1.00 0.00 C ATOM 3 C GLY A 1 -16.663 -6.287 7.194 1.00 0.00 C ATOM 4 O GLY A 1 -17.440 -6.921 6.479 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.709 -8.639 9.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.646 -7.305 9.935 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.907 -8.030 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.981 -6.040 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.253 -7.392 8.363 1.00 0.00 H new ATOM 10 N SER A 2 -16.195 -5.086 6.867 1.00 0.00 N ATOM 11 CA SER A 2 -16.577 -4.432 5.621 1.00 0.00 C ATOM 12 C SER A 2 -15.711 -3.201 5.366 1.00 0.00 C ATOM 13 O SER A 2 -15.100 -3.069 4.306 1.00 0.00 O ATOM 14 CB SER A 2 -18.054 -4.034 5.663 1.00 0.00 C ATOM 15 OG SER A 2 -18.517 -3.926 6.998 1.00 0.00 O ATOM 0 H SER A 2 -15.552 -4.547 7.447 1.00 0.00 H new ATOM 0 HA SER A 2 -16.422 -5.138 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.192 -3.083 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.648 -4.774 5.128 1.00 0.00 H new ATOM 0 HG SER A 2 -19.463 -3.669 6.996 1.00 0.00 H new ATOM 21 N ARG A 3 -15.663 -2.303 6.345 1.00 0.00 N ATOM 22 CA ARG A 3 -14.872 -1.084 6.225 1.00 0.00 C ATOM 23 C ARG A 3 -13.389 -1.411 6.077 1.00 0.00 C ATOM 24 O ARG A 3 -12.677 -0.773 5.302 1.00 0.00 O ATOM 25 CB ARG A 3 -15.090 -0.188 7.446 1.00 0.00 C ATOM 26 CG ARG A 3 -14.745 -0.861 8.764 1.00 0.00 C ATOM 27 CD ARG A 3 -13.340 -0.502 9.220 1.00 0.00 C ATOM 28 NE ARG A 3 -13.223 0.912 9.569 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.778 1.457 10.648 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.488 0.711 11.486 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.623 2.752 10.891 1.00 0.00 N ATOM 0 H ARG A 3 -16.162 -2.397 7.230 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.200 -0.554 5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.485 0.712 7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.132 0.130 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.464 -0.561 9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.828 -1.942 8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.072 -1.112 10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.630 -0.740 8.428 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.684 1.517 8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.610 -0.285 11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.911 1.134 12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.078 3.329 10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.049 3.170 11.718 1.00 0.00 H new ATOM 45 N VAL A 4 -12.931 -2.408 6.826 1.00 0.00 N ATOM 46 CA VAL A 4 -11.533 -2.821 6.778 1.00 0.00 C ATOM 47 C VAL A 4 -11.218 -3.542 5.471 1.00 0.00 C ATOM 48 O VAL A 4 -10.196 -3.278 4.838 1.00 0.00 O ATOM 49 CB VAL A 4 -11.181 -3.746 7.960 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.706 -4.118 7.931 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.546 -3.085 9.280 1.00 0.00 C ATOM 0 H VAL A 4 -13.507 -2.945 7.474 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.932 -1.914 6.844 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.763 -4.663 7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.479 -4.771 8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.480 -4.636 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.101 -3.214 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.291 -3.752 10.104 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.993 -2.151 9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.616 -2.877 9.299 1.00 0.00 H new ATOM 61 N LYS A 5 -12.101 -4.454 5.071 1.00 0.00 N ATOM 62 CA LYS A 5 -11.908 -5.210 3.839 1.00 0.00 C ATOM 63 C LYS A 5 -11.789 -4.272 2.644 1.00 0.00 C ATOM 64 O LYS A 5 -10.917 -4.444 1.796 1.00 0.00 O ATOM 65 CB LYS A 5 -13.062 -6.192 3.622 1.00 0.00 C ATOM 66 CG LYS A 5 -13.084 -6.817 2.235 1.00 0.00 C ATOM 67 CD LYS A 5 -11.744 -7.442 1.885 1.00 0.00 C ATOM 68 CE LYS A 5 -11.903 -8.600 0.913 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.263 -9.845 1.422 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.954 -4.686 5.581 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.981 -5.775 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.997 -6.985 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.005 -5.673 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.864 -7.577 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.336 -6.057 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.092 -6.686 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.257 -7.794 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.963 -8.783 0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.462 -8.331 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.394 -10.610 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.247 -9.679 1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.701 -10.116 2.325 1.00 0.00 H new ATOM 83 N ALA A 6 -12.664 -3.275 2.587 1.00 0.00 N ATOM 84 CA ALA A 6 -12.643 -2.307 1.497 1.00 0.00 C ATOM 85 C ALA A 6 -11.279 -1.636 1.415 1.00 0.00 C ATOM 86 O ALA A 6 -10.784 -1.331 0.330 1.00 0.00 O ATOM 87 CB ALA A 6 -13.739 -1.272 1.691 1.00 0.00 C ATOM 0 H ALA A 6 -13.395 -3.116 3.280 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.826 -2.830 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.712 -0.555 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.709 -1.768 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.583 -0.749 2.635 1.00 0.00 H new ATOM 93 N LEU A 7 -10.678 -1.420 2.578 1.00 0.00 N ATOM 94 CA LEU A 7 -9.365 -0.795 2.670 1.00 0.00 C ATOM 95 C LEU A 7 -8.327 -1.606 1.900 1.00 0.00 C ATOM 96 O LEU A 7 -7.462 -1.051 1.224 1.00 0.00 O ATOM 97 CB LEU A 7 -8.956 -0.690 4.139 1.00 0.00 C ATOM 98 CG LEU A 7 -8.166 0.560 4.512 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.784 0.528 3.879 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.920 1.813 4.093 1.00 0.00 C ATOM 0 H LEU A 7 -11.084 -1.671 3.479 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.417 0.201 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.856 -0.726 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.360 -1.566 4.396 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.045 0.580 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.236 1.428 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.243 -0.350 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.882 0.483 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.341 2.695 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.074 1.801 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.886 1.842 4.597 1.00 0.00 H new ATOM 112 N GLU A 8 -8.420 -2.924 2.021 1.00 0.00 N ATOM 113 CA GLU A 8 -7.494 -3.831 1.350 1.00 0.00 C ATOM 114 C GLU A 8 -7.641 -3.764 -0.172 1.00 0.00 C ATOM 115 O GLU A 8 -6.674 -3.965 -0.905 1.00 0.00 O ATOM 116 CB GLU A 8 -7.714 -5.269 1.850 1.00 0.00 C ATOM 117 CG GLU A 8 -8.674 -6.093 1.000 1.00 0.00 C ATOM 118 CD GLU A 8 -7.982 -6.785 -0.159 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.832 -6.411 -0.472 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.590 -7.700 -0.752 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.132 -3.392 2.581 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.479 -3.518 1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.751 -5.779 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.093 -5.231 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.158 -6.841 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.460 -5.444 0.614 1.00 0.00 H new ATOM 127 N GLU A 9 -8.857 -3.501 -0.638 1.00 0.00 N ATOM 128 CA GLU A 9 -9.136 -3.430 -2.070 1.00 0.00 C ATOM 129 C GLU A 9 -8.447 -2.238 -2.734 1.00 0.00 C ATOM 130 O GLU A 9 -7.996 -2.332 -3.873 1.00 0.00 O ATOM 131 CB GLU A 9 -10.645 -3.351 -2.307 1.00 0.00 C ATOM 132 CG GLU A 9 -11.309 -4.710 -2.464 1.00 0.00 C ATOM 133 CD GLU A 9 -12.246 -4.768 -3.654 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.757 -4.680 -4.801 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -13.469 -4.900 -3.441 1.00 0.00 O ATOM 0 H GLU A 9 -9.669 -3.333 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.736 -4.337 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.108 -2.824 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.833 -2.758 -3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.540 -5.475 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.865 -4.945 -1.557 1.00 0.00 H new ATOM 142 N LYS A 10 -8.387 -1.113 -2.028 1.00 0.00 N ATOM 143 CA LYS A 10 -7.770 0.097 -2.567 1.00 0.00 C ATOM 144 C LYS A 10 -6.248 -0.021 -2.641 1.00 0.00 C ATOM 145 O LYS A 10 -5.618 0.520 -3.550 1.00 0.00 O ATOM 146 CB LYS A 10 -8.160 1.314 -1.723 1.00 0.00 C ATOM 147 CG LYS A 10 -7.720 1.223 -0.271 1.00 0.00 C ATOM 148 CD LYS A 10 -7.346 2.588 0.284 1.00 0.00 C ATOM 149 CE LYS A 10 -8.577 3.386 0.680 1.00 0.00 C ATOM 150 NZ LYS A 10 -8.337 4.209 1.898 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.757 -1.013 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.142 0.226 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.724 2.208 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.243 1.436 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.523 0.793 0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.867 0.550 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.697 2.464 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.777 3.142 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.870 4.035 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.409 2.705 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.185 4.194 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.531 3.819 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.127 5.189 1.619 1.00 0.00 H new ATOM 164 N VAL A 11 -5.661 -0.715 -1.674 1.00 0.00 N ATOM 165 CA VAL A 11 -4.212 -0.887 -1.617 1.00 0.00 C ATOM 166 C VAL A 11 -3.684 -1.711 -2.792 1.00 0.00 C ATOM 167 O VAL A 11 -2.635 -1.403 -3.356 1.00 0.00 O ATOM 168 CB VAL A 11 -3.790 -1.568 -0.299 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.275 -1.610 -0.173 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.413 -0.853 0.892 1.00 0.00 C ATOM 0 H VAL A 11 -6.167 -1.170 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.780 0.112 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.154 -2.595 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.001 -2.095 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.856 -2.172 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.881 -0.594 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.105 -1.346 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.081 0.185 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.499 -0.885 0.808 1.00 0.00 H new ATOM 180 N LYS A 12 -4.408 -2.766 -3.142 1.00 0.00 N ATOM 181 CA LYS A 12 -4.009 -3.646 -4.236 1.00 0.00 C ATOM 182 C LYS A 12 -4.135 -2.953 -5.581 1.00 0.00 C ATOM 183 O LYS A 12 -3.301 -3.142 -6.466 1.00 0.00 O ATOM 184 CB LYS A 12 -4.843 -4.926 -4.230 1.00 0.00 C ATOM 185 CG LYS A 12 -4.176 -6.082 -4.954 1.00 0.00 C ATOM 186 CD LYS A 12 -4.733 -7.418 -4.494 1.00 0.00 C ATOM 187 CE LYS A 12 -4.860 -8.396 -5.651 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.827 -7.922 -6.680 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.278 -3.035 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.961 -3.903 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.040 -5.218 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.808 -4.724 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.324 -5.975 -6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.101 -6.053 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.082 -7.841 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.710 -7.267 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.883 -8.541 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.181 -9.366 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.256 -8.741 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.571 -7.358 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.329 -7.336 -7.380 1.00 0.00 H new ATOM 202 N ALA A 13 -5.176 -2.148 -5.734 1.00 0.00 N ATOM 203 CA ALA A 13 -5.388 -1.432 -6.981 1.00 0.00 C ATOM 204 C ALA A 13 -4.164 -0.591 -7.302 1.00 0.00 C ATOM 205 O ALA A 13 -3.764 -0.468 -8.460 1.00 0.00 O ATOM 206 CB ALA A 13 -6.631 -0.558 -6.890 1.00 0.00 C ATOM 0 H ALA A 13 -5.881 -1.976 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.541 -2.153 -7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.774 -0.029 -7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.501 -1.183 -6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.509 0.165 -6.083 1.00 0.00 H new ATOM 212 N LEU A 14 -3.556 -0.040 -6.259 1.00 0.00 N ATOM 213 CA LEU A 14 -2.350 0.763 -6.422 1.00 0.00 C ATOM 214 C LEU A 14 -1.170 -0.124 -6.801 1.00 0.00 C ATOM 215 O LEU A 14 -0.255 0.305 -7.494 1.00 0.00 O ATOM 216 CB LEU A 14 -2.031 1.538 -5.146 1.00 0.00 C ATOM 217 CG LEU A 14 -1.363 2.895 -5.375 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.714 3.861 -4.256 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.147 2.734 -5.496 1.00 0.00 C ATOM 0 H LEU A 14 -3.876 -0.134 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.529 1.480 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.956 1.692 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.380 0.928 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.738 3.309 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.229 4.820 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.794 4.001 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.371 3.455 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.605 3.710 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.541 2.297 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.377 2.080 -6.337 1.00 0.00 H new ATOM 231 N GLU A 15 -1.201 -1.362 -6.322 1.00 0.00 N ATOM 232 CA GLU A 15 -0.140 -2.328 -6.584 1.00 0.00 C ATOM 233 C GLU A 15 0.117 -2.500 -8.079 1.00 0.00 C ATOM 234 O GLU A 15 1.258 -2.651 -8.511 1.00 0.00 O ATOM 235 CB GLU A 15 -0.512 -3.677 -5.971 1.00 0.00 C ATOM 236 CG GLU A 15 0.625 -4.678 -5.983 1.00 0.00 C ATOM 237 CD GLU A 15 0.252 -5.981 -6.666 1.00 0.00 C ATOM 238 OE1 GLU A 15 0.425 -6.073 -7.900 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 -0.211 -6.906 -5.969 1.00 0.00 O ATOM 0 H GLU A 15 -1.959 -1.724 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 15 0.775 -1.948 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.839 -3.523 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.359 -4.094 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.484 -4.240 -6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.932 -4.885 -4.958 1.00 0.00 H new ATOM 246 N GLU A 16 -0.956 -2.496 -8.857 1.00 0.00 N ATOM 247 CA GLU A 16 -0.871 -2.668 -10.306 1.00 0.00 C ATOM 248 C GLU A 16 -0.158 -1.499 -10.965 1.00 0.00 C ATOM 249 O GLU A 16 0.530 -1.669 -11.970 1.00 0.00 O ATOM 250 CB GLU A 16 -2.271 -2.828 -10.901 1.00 0.00 C ATOM 251 CG GLU A 16 -3.106 -3.897 -10.216 1.00 0.00 C ATOM 252 CD GLU A 16 -3.215 -5.167 -11.037 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.162 -5.731 -11.403 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.355 -5.598 -11.315 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.906 -2.374 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.290 -3.570 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.795 -1.874 -10.838 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.181 -3.072 -11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.665 -4.132 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.105 -3.505 -10.025 1.00 0.00 H new ATOM 261 N LYS A 17 -0.326 -0.313 -10.399 1.00 0.00 N ATOM 262 CA LYS A 17 0.308 0.882 -10.936 1.00 0.00 C ATOM 263 C LYS A 17 1.819 0.843 -10.714 1.00 0.00 C ATOM 264 O LYS A 17 2.587 1.406 -11.495 1.00 0.00 O ATOM 265 CB LYS A 17 -0.311 2.147 -10.320 1.00 0.00 C ATOM 266 CG LYS A 17 0.202 2.493 -8.929 1.00 0.00 C ATOM 267 CD LYS A 17 0.792 3.893 -8.885 1.00 0.00 C ATOM 268 CE LYS A 17 2.178 3.935 -9.508 1.00 0.00 C ATOM 269 NZ LYS A 17 2.123 4.219 -10.969 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.896 -0.152 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 17 0.131 0.910 -12.011 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.118 2.990 -10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.393 2.020 -10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.614 2.418 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.959 1.768 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.134 4.583 -9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.847 4.233 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.776 4.700 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.679 2.981 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.904 4.854 -11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.210 3.329 -11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.216 4.673 -11.201 1.00 0.00 H new ATOM 283 N VAL A 18 2.239 0.186 -9.633 1.00 0.00 N ATOM 284 CA VAL A 18 3.658 0.088 -9.296 1.00 0.00 C ATOM 285 C VAL A 18 4.419 -0.785 -10.291 1.00 0.00 C ATOM 286 O VAL A 18 5.494 -0.411 -10.761 1.00 0.00 O ATOM 287 CB VAL A 18 3.853 -0.486 -7.879 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.313 -0.405 -7.461 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.964 0.242 -6.882 1.00 0.00 C ATOM 0 H VAL A 18 1.617 -0.286 -8.977 1.00 0.00 H new ATOM 0 HA VAL A 18 4.057 1.101 -9.339 1.00 0.00 H new ATOM 0 HB VAL A 18 3.564 -1.537 -7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.428 -0.816 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.924 -0.977 -8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.636 0.636 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.115 -0.176 -5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.220 1.302 -6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.920 0.123 -7.171 1.00 0.00 H new ATOM 299 N LYS A 19 3.858 -1.945 -10.612 1.00 0.00 N ATOM 300 CA LYS A 19 4.486 -2.864 -11.555 1.00 0.00 C ATOM 301 C LYS A 19 4.440 -2.308 -12.973 1.00 0.00 C ATOM 302 O LYS A 19 5.238 -2.691 -13.830 1.00 0.00 O ATOM 303 CB LYS A 19 3.793 -4.228 -11.507 1.00 0.00 C ATOM 304 CG LYS A 19 2.340 -4.188 -11.955 1.00 0.00 C ATOM 305 CD LYS A 19 2.020 -5.322 -12.917 1.00 0.00 C ATOM 306 CE LYS A 19 0.534 -5.640 -12.928 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.207 -4.803 -13.913 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.969 -2.272 -10.233 1.00 0.00 H new ATOM 0 HA LYS A 19 5.530 -2.983 -11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.340 -4.927 -12.139 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.840 -4.615 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.688 -4.254 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.133 -3.232 -12.436 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.342 -5.050 -13.922 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.582 -6.212 -12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.390 -6.694 -13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.121 -5.479 -11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.217 -5.051 -13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.091 -3.798 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.169 -4.975 -14.867 1.00 0.00 H new ATOM 321 N ALA A 20 3.495 -1.407 -13.216 1.00 0.00 N ATOM 322 CA ALA A 20 3.329 -0.798 -14.527 1.00 0.00 C ATOM 323 C ALA A 20 4.406 0.250 -14.793 1.00 0.00 C ATOM 324 O ALA A 20 4.754 0.514 -15.945 1.00 0.00 O ATOM 325 CB ALA A 20 1.942 -0.185 -14.641 1.00 0.00 C ATOM 0 H ALA A 20 2.829 -1.081 -12.516 1.00 0.00 H new ATOM 0 HA ALA A 20 3.436 -1.576 -15.283 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.825 0.269 -15.625 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.189 -0.962 -14.508 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.817 0.578 -13.872 1.00 0.00 H new ATOM 331 N LEU A 21 4.932 0.845 -13.726 1.00 0.00 N ATOM 332 CA LEU A 21 5.972 1.860 -13.860 1.00 0.00 C ATOM 333 C LEU A 21 7.341 1.217 -14.087 1.00 0.00 C ATOM 334 O LEU A 21 8.289 1.886 -14.501 1.00 0.00 O ATOM 335 CB LEU A 21 5.994 2.771 -12.621 1.00 0.00 C ATOM 336 CG LEU A 21 6.924 2.339 -11.477 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.118 3.279 -11.378 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.167 2.298 -10.155 1.00 0.00 C ATOM 0 H LEU A 21 4.657 0.643 -12.765 1.00 0.00 H new ATOM 0 HA LEU A 21 5.743 2.471 -14.733 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.283 3.773 -12.938 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.979 2.841 -12.229 1.00 0.00 H new ATOM 0 HG LEU A 21 7.290 1.335 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.767 2.959 -10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.675 3.259 -12.314 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.768 4.293 -11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.843 1.990 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.771 3.289 -9.932 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.345 1.586 -10.228 1.00 0.00 H new ATOM 350 N GLY A 22 7.436 -0.083 -13.817 1.00 0.00 N ATOM 351 CA GLY A 22 8.689 -0.790 -14.001 1.00 0.00 C ATOM 352 C GLY A 22 8.841 -1.956 -13.043 1.00 0.00 C ATOM 353 O GLY A 22 7.900 -2.306 -12.329 1.00 0.00 O ATOM 0 H GLY A 22 6.666 -0.658 -13.474 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.750 -1.155 -15.026 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.518 -0.097 -13.860 1.00 0.00 H new ATOM 357 N GLY A 23 10.025 -2.557 -13.027 1.00 0.00 N ATOM 358 CA GLY A 23 10.271 -3.685 -12.145 1.00 0.00 C ATOM 359 C GLY A 23 11.567 -4.401 -12.468 1.00 0.00 C ATOM 360 O GLY A 23 11.557 -5.468 -13.082 1.00 0.00 O ATOM 0 H GLY A 23 10.818 -2.285 -13.607 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.300 -3.336 -11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.442 -4.389 -12.220 1.00 0.00 H new ATOM 364 N GLY A 24 12.685 -3.815 -12.051 1.00 0.00 N ATOM 365 CA GLY A 24 13.977 -4.420 -12.309 1.00 0.00 C ATOM 366 C GLY A 24 15.087 -3.792 -11.489 1.00 0.00 C ATOM 367 O GLY A 24 16.238 -3.744 -11.924 1.00 0.00 O ATOM 0 H GLY A 24 12.718 -2.933 -11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.926 -5.486 -12.089 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.214 -4.325 -13.369 1.00 0.00 H new ATOM 371 N GLY A 25 14.743 -3.310 -10.300 1.00 0.00 N ATOM 372 CA GLY A 25 15.733 -2.689 -9.438 1.00 0.00 C ATOM 373 C GLY A 25 15.109 -1.832 -8.354 1.00 0.00 C ATOM 374 O GLY A 25 15.057 -2.232 -7.193 1.00 0.00 O ATOM 0 H GLY A 25 13.798 -3.338 -9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.344 -3.464 -8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.401 -2.075 -10.042 1.00 0.00 H new ATOM 378 N ARG A 26 14.635 -0.651 -8.735 1.00 0.00 N ATOM 379 CA ARG A 26 14.013 0.267 -7.785 1.00 0.00 C ATOM 380 C ARG A 26 12.532 -0.057 -7.597 1.00 0.00 C ATOM 381 O ARG A 26 12.031 -0.085 -6.474 1.00 0.00 O ATOM 382 CB ARG A 26 14.175 1.714 -8.258 1.00 0.00 C ATOM 383 CG ARG A 26 13.777 1.934 -9.711 1.00 0.00 C ATOM 384 CD ARG A 26 13.844 3.403 -10.094 1.00 0.00 C ATOM 385 NE ARG A 26 15.220 3.894 -10.151 1.00 0.00 N ATOM 386 CZ ARG A 26 15.878 4.395 -9.107 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.295 4.474 -7.917 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 17.126 4.818 -9.254 1.00 0.00 N ATOM 0 H ARG A 26 14.669 -0.306 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 26 14.515 0.147 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.572 2.363 -7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.214 2.015 -8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.436 1.358 -10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.765 1.561 -9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.368 3.546 -11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.279 3.992 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 26 15.707 3.850 -11.046 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.335 4.150 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.807 4.859 -7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.580 4.759 -10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.632 5.202 -8.456 1.00 0.00 H new ATOM 402 N ILE A 27 11.841 -0.286 -8.706 1.00 0.00 N ATOM 403 CA ILE A 27 10.416 -0.596 -8.682 1.00 0.00 C ATOM 404 C ILE A 27 10.134 -1.949 -8.033 1.00 0.00 C ATOM 405 O ILE A 27 9.109 -2.123 -7.385 1.00 0.00 O ATOM 406 CB ILE A 27 9.818 -0.589 -10.102 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.182 0.708 -10.828 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.306 -0.762 -10.045 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.083 0.500 -12.024 1.00 0.00 C ATOM 0 H ILE A 27 12.248 -0.263 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 27 9.945 0.184 -8.084 1.00 0.00 H new ATOM 0 HB ILE A 27 10.239 -1.426 -10.658 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.266 1.201 -11.155 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.674 1.382 -10.126 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.901 -0.755 -11.057 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.066 -1.711 -9.565 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.868 0.055 -9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.299 1.462 -12.489 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.015 0.036 -11.701 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.586 -0.148 -12.746 1.00 0.00 H new ATOM 421 N GLU A 28 11.032 -2.909 -8.228 1.00 0.00 N ATOM 422 CA GLU A 28 10.852 -4.249 -7.668 1.00 0.00 C ATOM 423 C GLU A 28 10.766 -4.222 -6.140 1.00 0.00 C ATOM 424 O GLU A 28 9.980 -4.956 -5.542 1.00 0.00 O ATOM 425 CB GLU A 28 11.998 -5.164 -8.109 1.00 0.00 C ATOM 426 CG GLU A 28 13.353 -4.750 -7.561 1.00 0.00 C ATOM 427 CD GLU A 28 14.458 -5.714 -7.951 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.139 -6.863 -8.324 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.641 -5.320 -7.884 1.00 0.00 O1- ATOM 0 H GLU A 28 11.889 -2.788 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 28 9.907 -4.638 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.782 -6.183 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.044 -5.175 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.600 -3.753 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.298 -4.687 -6.474 1.00 0.00 H new ATOM 436 N GLU A 29 11.584 -3.385 -5.518 1.00 0.00 N ATOM 437 CA GLU A 29 11.612 -3.270 -4.059 1.00 0.00 C ATOM 438 C GLU A 29 10.369 -2.564 -3.518 1.00 0.00 C ATOM 439 O GLU A 29 9.857 -2.916 -2.455 1.00 0.00 O ATOM 440 CB GLU A 29 12.867 -2.522 -3.611 1.00 0.00 C ATOM 441 CG GLU A 29 14.137 -3.015 -4.280 1.00 0.00 C ATOM 442 CD GLU A 29 15.389 -2.414 -3.672 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.346 -1.234 -3.267 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 16.414 -3.124 -3.600 1.00 0.00 O ATOM 0 H GLU A 29 12.241 -2.771 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 29 11.625 -4.282 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.743 -1.460 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.973 -2.621 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.186 -4.101 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.101 -2.772 -5.342 1.00 0.00 H new ATOM 451 N LEU A 30 9.913 -1.547 -4.237 1.00 0.00 N ATOM 452 CA LEU A 30 8.759 -0.759 -3.824 1.00 0.00 C ATOM 453 C LEU A 30 7.508 -1.620 -3.631 1.00 0.00 C ATOM 454 O LEU A 30 6.803 -1.488 -2.630 1.00 0.00 O ATOM 455 CB LEU A 30 8.497 0.310 -4.882 1.00 0.00 C ATOM 456 CG LEU A 30 8.232 1.717 -4.348 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.524 2.346 -3.852 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.602 2.577 -5.432 1.00 0.00 C ATOM 0 H LEU A 30 10.330 -1.246 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 30 8.982 -0.302 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.356 0.351 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.640 0.001 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 30 7.539 1.650 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.319 3.348 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.942 1.735 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.238 2.406 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.417 3.578 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.278 2.640 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.659 2.131 -5.748 1.00 0.00 H new ATOM 470 N LYS A 31 7.237 -2.497 -4.589 1.00 0.00 N ATOM 471 CA LYS A 31 6.071 -3.376 -4.521 1.00 0.00 C ATOM 472 C LYS A 31 6.193 -4.374 -3.380 1.00 0.00 C ATOM 473 O LYS A 31 5.196 -4.747 -2.768 1.00 0.00 O ATOM 474 CB LYS A 31 5.829 -4.113 -5.844 1.00 0.00 C ATOM 475 CG LYS A 31 7.068 -4.288 -6.707 1.00 0.00 C ATOM 476 CD LYS A 31 6.891 -5.416 -7.710 1.00 0.00 C ATOM 477 CE LYS A 31 5.809 -5.092 -8.727 1.00 0.00 C ATOM 478 NZ LYS A 31 4.442 -5.247 -8.154 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.808 -2.621 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 31 5.210 -2.736 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.412 -5.096 -5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.078 -3.568 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.279 -3.359 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.929 -4.496 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.834 -5.597 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.634 -6.335 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.940 -4.070 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.916 -5.747 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.838 -5.758 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.497 -5.783 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.035 -4.308 -7.968 1.00 0.00 H new ATOM 492 N LYS A 32 7.416 -4.817 -3.104 1.00 0.00 N ATOM 493 CA LYS A 32 7.652 -5.786 -2.040 1.00 0.00 C ATOM 494 C LYS A 32 7.105 -5.262 -0.716 1.00 0.00 C ATOM 495 O LYS A 32 6.515 -6.009 0.062 1.00 0.00 O ATOM 496 CB LYS A 32 9.147 -6.080 -1.908 1.00 0.00 C ATOM 497 CG LYS A 32 9.645 -7.141 -2.878 1.00 0.00 C ATOM 498 CD LYS A 32 11.158 -7.101 -3.019 1.00 0.00 C ATOM 499 CE LYS A 32 11.597 -7.499 -4.419 1.00 0.00 C ATOM 500 NZ LYS A 32 13.068 -7.352 -4.603 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.256 -4.521 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 32 7.134 -6.711 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.706 -5.159 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.357 -6.404 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.337 -8.127 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.183 -6.989 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.519 -6.097 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.610 -7.773 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.309 -8.533 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.076 -6.883 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.327 -7.633 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.340 -6.361 -4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.566 -7.959 -3.921 1.00 0.00 H new ATOM 514 N LYS A 33 7.288 -3.971 -0.479 1.00 0.00 N ATOM 515 CA LYS A 33 6.793 -3.341 0.738 1.00 0.00 C ATOM 516 C LYS A 33 5.266 -3.322 0.742 1.00 0.00 C ATOM 517 O LYS A 33 4.632 -3.455 1.787 1.00 0.00 O ATOM 518 CB LYS A 33 7.335 -1.917 0.861 1.00 0.00 C ATOM 519 CG LYS A 33 7.189 -1.329 2.255 1.00 0.00 C ATOM 520 CD LYS A 33 8.114 -0.141 2.460 1.00 0.00 C ATOM 521 CE LYS A 33 7.498 1.143 1.925 1.00 0.00 C ATOM 522 NZ LYS A 33 8.079 2.351 2.573 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.776 -3.338 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 33 7.140 -3.922 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.389 -1.913 0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.815 -1.276 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.156 -1.018 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.409 -2.095 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.331 -0.027 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.064 -0.327 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.654 1.199 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.421 1.125 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.632 3.204 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.908 2.311 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.103 2.383 2.394 1.00 0.00 H new ATOM 536 N TYR A 34 4.687 -3.139 -0.443 1.00 0.00 N ATOM 537 CA TYR A 34 3.236 -3.083 -0.597 1.00 0.00 C ATOM 538 C TYR A 34 2.556 -4.343 -0.058 1.00 0.00 C ATOM 539 O TYR A 34 1.481 -4.264 0.534 1.00 0.00 O ATOM 540 CB TYR A 34 2.871 -2.881 -2.073 1.00 0.00 C ATOM 541 CG TYR A 34 2.077 -1.624 -2.329 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.831 -1.435 -1.748 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.576 -0.623 -3.152 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.104 -0.285 -1.980 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.855 0.531 -3.388 1.00 0.00 C ATOM 546 CZ TYR A 34 0.620 0.695 -2.799 1.00 0.00 C ATOM 547 OH TYR A 34 -0.100 1.842 -3.024 1.00 0.00 O ATOM 0 H TYR A 34 5.205 -3.026 -1.315 1.00 0.00 H new ATOM 0 HA TYR A 34 2.875 -2.237 -0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.786 -2.850 -2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.297 -3.741 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.424 -2.200 -1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.544 -0.749 -3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.865 -0.154 -1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.257 1.301 -4.030 1.00 0.00 H new ATOM 0 HH TYR A 34 0.476 2.622 -2.884 1.00 0.00 H new ATOM 557 N GLU A 35 3.179 -5.501 -0.262 1.00 0.00 N ATOM 558 CA GLU A 35 2.611 -6.757 0.214 1.00 0.00 C ATOM 559 C GLU A 35 2.485 -6.745 1.734 1.00 0.00 C ATOM 560 O GLU A 35 1.559 -7.329 2.298 1.00 0.00 O ATOM 561 CB GLU A 35 3.460 -7.948 -0.249 1.00 0.00 C ATOM 562 CG GLU A 35 4.807 -8.060 0.446 1.00 0.00 C ATOM 563 CD GLU A 35 4.939 -9.328 1.267 1.00 0.00 C ATOM 564 OE1 GLU A 35 4.307 -9.408 2.342 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 5.671 -10.244 0.835 1.00 0.00 O ATOM 0 H GLU A 35 4.070 -5.595 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 35 1.614 -6.865 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.899 -8.867 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.624 -7.867 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.600 -8.032 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.949 -7.196 1.095 1.00 0.00 H new ATOM 572 N GLU A 36 3.419 -6.064 2.388 1.00 0.00 N ATOM 573 CA GLU A 36 3.415 -5.956 3.841 1.00 0.00 C ATOM 574 C GLU A 36 2.204 -5.158 4.313 1.00 0.00 C ATOM 575 O GLU A 36 1.610 -5.464 5.345 1.00 0.00 O ATOM 576 CB GLU A 36 4.703 -5.290 4.330 1.00 0.00 C ATOM 577 CG GLU A 36 4.861 -5.307 5.841 1.00 0.00 C ATOM 578 CD GLU A 36 5.483 -4.032 6.376 1.00 0.00 C ATOM 579 OE1 GLU A 36 4.767 -3.011 6.456 1.00 0.00 O ATOM 580 OE2 GLU A 36 6.684 -4.054 6.716 1.00 0.00 O1- ATOM 0 H GLU A 36 4.191 -5.577 1.933 1.00 0.00 H new ATOM 0 HA GLU A 36 3.358 -6.961 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.557 -5.794 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.722 -4.257 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.885 -5.452 6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.480 -6.157 6.129 1.00 0.00 H new ATOM 587 N LEU A 37 1.855 -4.129 3.549 1.00 0.00 N ATOM 588 CA LEU A 37 0.724 -3.268 3.872 1.00 0.00 C ATOM 589 C LEU A 37 -0.575 -4.062 3.960 1.00 0.00 C ATOM 590 O LEU A 37 -1.365 -3.877 4.884 1.00 0.00 O ATOM 591 CB LEU A 37 0.596 -2.186 2.797 1.00 0.00 C ATOM 592 CG LEU A 37 0.733 -0.743 3.278 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.610 -0.206 3.751 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.774 -0.629 4.384 1.00 0.00 C ATOM 0 H LEU A 37 2.345 -3.869 2.693 1.00 0.00 H new ATOM 0 HA LEU A 37 0.903 -2.813 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.354 -2.367 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.375 -2.296 2.313 1.00 0.00 H new ATOM 0 HG LEU A 37 1.070 -0.139 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.491 0.823 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.324 -0.237 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.977 -0.819 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.850 0.409 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.477 -1.251 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.741 -0.964 4.009 1.00 0.00 H new ATOM 606 N LYS A 38 -0.790 -4.941 2.990 1.00 0.00 N ATOM 607 CA LYS A 38 -1.997 -5.762 2.952 1.00 0.00 C ATOM 608 C LYS A 38 -2.176 -6.541 4.254 1.00 0.00 C ATOM 609 O LYS A 38 -3.288 -6.682 4.756 1.00 0.00 O ATOM 610 CB LYS A 38 -1.940 -6.734 1.771 1.00 0.00 C ATOM 611 CG LYS A 38 -1.706 -6.053 0.433 1.00 0.00 C ATOM 612 CD LYS A 38 -1.893 -7.021 -0.725 1.00 0.00 C ATOM 613 CE LYS A 38 -0.912 -8.180 -0.647 1.00 0.00 C ATOM 614 NZ LYS A 38 -0.379 -8.548 -1.988 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.145 -5.105 2.217 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.851 -5.096 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.144 -7.458 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.875 -7.293 1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.396 -5.216 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.697 -5.641 0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.913 -7.405 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.758 -6.492 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.085 -7.912 0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.406 -9.044 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.286 -9.342 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.165 -8.828 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.115 -7.731 -2.401 1.00 0.00 H new ATOM 628 N LYS A 39 -1.069 -7.046 4.788 1.00 0.00 N ATOM 629 CA LYS A 39 -1.088 -7.816 6.026 1.00 0.00 C ATOM 630 C LYS A 39 -1.550 -6.968 7.211 1.00 0.00 C ATOM 631 O LYS A 39 -2.248 -7.459 8.094 1.00 0.00 O ATOM 632 CB LYS A 39 0.301 -8.390 6.312 1.00 0.00 C ATOM 633 CG LYS A 39 0.725 -9.472 5.332 1.00 0.00 C ATOM 634 CD LYS A 39 0.725 -10.848 5.981 1.00 0.00 C ATOM 635 CE LYS A 39 1.917 -11.679 5.530 1.00 0.00 C ATOM 636 NZ LYS A 39 1.493 -12.972 4.925 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.141 -6.935 4.379 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.800 -8.631 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.032 -7.581 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.315 -8.800 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.050 -9.473 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.722 -9.249 4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.746 -10.740 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.199 -11.369 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.501 -11.113 4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.568 -11.873 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.333 -13.509 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.957 -13.524 5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.892 -12.787 4.096 1.00 0.00 H new ATOM 650 N LYS A 40 -1.142 -5.703 7.231 1.00 0.00 N ATOM 651 CA LYS A 40 -1.502 -4.791 8.316 1.00 0.00 C ATOM 652 C LYS A 40 -3.012 -4.576 8.385 1.00 0.00 C ATOM 653 O LYS A 40 -3.579 -4.410 9.464 1.00 0.00 O ATOM 654 CB LYS A 40 -0.789 -3.449 8.133 1.00 0.00 C ATOM 655 CG LYS A 40 0.089 -3.061 9.312 1.00 0.00 C ATOM 656 CD LYS A 40 1.485 -2.659 8.861 1.00 0.00 C ATOM 657 CE LYS A 40 1.455 -1.398 8.014 1.00 0.00 C ATOM 658 NZ LYS A 40 1.372 -0.167 8.850 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.560 -5.283 6.506 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.183 -5.244 9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.176 -3.493 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.534 -2.670 7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.372 -2.234 9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.157 -3.898 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.118 -2.497 9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.932 -3.472 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.351 -1.356 7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.601 -1.435 7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.489 0.339 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.386 -0.429 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.183 0.449 8.642 1.00 0.00 H new ATOM 672 N ILE A 41 -3.655 -4.584 7.226 1.00 0.00 N ATOM 673 CA ILE A 41 -5.098 -4.394 7.143 1.00 0.00 C ATOM 674 C ILE A 41 -5.827 -5.612 7.694 1.00 0.00 C ATOM 675 O ILE A 41 -6.892 -5.500 8.301 1.00 0.00 O ATOM 676 CB ILE A 41 -5.549 -4.148 5.690 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.725 -3.022 5.061 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.034 -3.818 5.635 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.698 -3.064 3.549 1.00 0.00 C ATOM 0 H ILE A 41 -3.198 -4.721 6.325 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.347 -3.516 7.740 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.382 -5.061 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.131 -2.063 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.703 -3.078 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.331 -3.648 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.607 -4.650 6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.229 -2.920 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.096 -2.237 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.264 -4.008 3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.714 -2.977 3.164 1.00 0.00 H new ATOM 691 N GLU A 42 -5.238 -6.776 7.470 1.00 0.00 N ATOM 692 CA GLU A 42 -5.802 -8.036 7.929 1.00 0.00 C ATOM 693 C GLU A 42 -5.840 -8.104 9.454 1.00 0.00 C ATOM 694 O GLU A 42 -6.736 -8.718 10.034 1.00 0.00 O ATOM 695 CB GLU A 42 -4.988 -9.205 7.369 1.00 0.00 C ATOM 696 CG GLU A 42 -5.786 -10.120 6.456 1.00 0.00 C ATOM 697 CD GLU A 42 -6.404 -11.290 7.198 1.00 0.00 C ATOM 698 OE1 GLU A 42 -6.802 -11.106 8.367 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -6.489 -12.388 6.610 1.00 0.00 O ATOM 0 H GLU A 42 -4.357 -6.874 6.966 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.827 -8.102 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.134 -8.811 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.590 -9.790 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.575 -9.545 5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.135 -10.498 5.667 1.00 0.00 H new ATOM 706 N GLU A 43 -4.849 -7.493 10.099 1.00 0.00 N ATOM 707 CA GLU A 43 -4.760 -7.511 11.557 1.00 0.00 C ATOM 708 C GLU A 43 -5.796 -6.594 12.206 1.00 0.00 C ATOM 709 O GLU A 43 -6.270 -6.871 13.308 1.00 0.00 O ATOM 710 CB GLU A 43 -3.348 -7.124 12.012 1.00 0.00 C ATOM 711 CG GLU A 43 -3.010 -5.652 11.822 1.00 0.00 C ATOM 712 CD GLU A 43 -2.418 -5.024 13.069 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.183 -5.094 13.239 1.00 0.00 O ATOM 714 OE2 GLU A 43 -3.190 -4.462 13.876 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.098 -6.981 9.637 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.974 -8.529 11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.237 -7.377 13.066 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.624 -7.725 11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.305 -5.548 10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.912 -5.109 11.540 1.00 0.00 H new ATOM 721 N LEU A 44 -6.141 -5.502 11.532 1.00 0.00 N ATOM 722 CA LEU A 44 -7.117 -4.559 12.069 1.00 0.00 C ATOM 723 C LEU A 44 -8.539 -4.984 11.712 1.00 0.00 C ATOM 724 O LEU A 44 -8.773 -5.581 10.662 1.00 0.00 O ATOM 725 CB LEU A 44 -6.836 -3.142 11.555 1.00 0.00 C ATOM 726 CG LEU A 44 -7.279 -2.865 10.116 1.00 0.00 C ATOM 727 CD1 LEU A 44 -8.669 -2.252 10.092 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.281 -1.952 9.419 1.00 0.00 C ATOM 0 H LEU A 44 -5.763 -5.249 10.619 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.025 -4.559 13.155 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.333 -2.430 12.214 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.765 -2.952 11.630 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.314 -3.813 9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.965 -2.063 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.378 -2.940 10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.662 -1.313 10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.611 -1.765 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.215 -1.007 9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.301 -2.429 9.402 1.00 0.00 H new ATOM 740 N GLY A 45 -9.483 -4.673 12.594 1.00 0.00 N ATOM 741 CA GLY A 45 -10.869 -5.032 12.355 1.00 0.00 C ATOM 742 C GLY A 45 -11.827 -3.906 12.689 1.00 0.00 C ATOM 743 O GLY A 45 -12.692 -3.559 11.885 1.00 0.00 O ATOM 0 H GLY A 45 -9.313 -4.179 13.470 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.993 -5.312 11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.122 -5.909 12.952 1.00 0.00 H new ATOM 747 N GLY A 46 -11.675 -3.334 13.879 1.00 0.00 N ATOM 748 CA GLY A 46 -12.540 -2.248 14.297 1.00 0.00 C ATOM 749 C GLY A 46 -12.225 -0.947 13.584 1.00 0.00 C ATOM 750 O GLY A 46 -11.539 -0.942 12.562 1.00 0.00 O ATOM 0 H GLY A 46 -10.967 -3.604 14.562 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.578 -2.521 14.107 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.441 -2.102 15.373 1.00 0.00 H new ATOM 754 N GLY A 47 -12.727 0.158 14.124 1.00 0.00 N ATOM 755 CA GLY A 47 -12.484 1.455 13.520 1.00 0.00 C ATOM 756 C GLY A 47 -11.454 2.267 14.280 1.00 0.00 C ATOM 757 O GLY A 47 -11.236 2.045 15.472 1.00 0.00 O ATOM 0 H GLY A 47 -13.298 0.179 14.969 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.146 1.316 12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.420 2.012 13.475 1.00 0.00 H new ATOM 761 N GLY A 48 -10.820 3.209 13.592 1.00 0.00 N ATOM 762 CA GLY A 48 -9.816 4.042 14.226 1.00 0.00 C ATOM 763 C GLY A 48 -8.413 3.738 13.737 1.00 0.00 C ATOM 764 O GLY A 48 -7.540 4.604 13.760 1.00 0.00 O ATOM 0 H GLY A 48 -10.983 3.411 12.606 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.045 5.090 14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.860 3.899 15.306 1.00 0.00 H new ATOM 768 N GLU A 49 -8.195 2.503 13.294 1.00 0.00 N ATOM 769 CA GLU A 49 -6.887 2.090 12.800 1.00 0.00 C ATOM 770 C GLU A 49 -6.844 2.118 11.275 1.00 0.00 C ATOM 771 O GLU A 49 -5.791 2.342 10.679 1.00 0.00 O ATOM 772 CB GLU A 49 -6.548 0.685 13.304 1.00 0.00 C ATOM 773 CG GLU A 49 -5.186 0.188 12.846 1.00 0.00 C ATOM 774 CD GLU A 49 -4.240 -0.079 14.002 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.705 -0.589 15.043 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -3.036 0.224 13.866 1.00 0.00 O ATOM 0 H GLU A 49 -8.906 1.773 13.267 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.147 2.795 13.179 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.580 0.681 14.394 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.314 -0.010 12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.314 -0.727 12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.740 0.926 12.180 1.00 0.00 H new ATOM 783 N VAL A 50 -7.995 1.890 10.647 1.00 0.00 N ATOM 784 CA VAL A 50 -8.083 1.891 9.190 1.00 0.00 C ATOM 785 C VAL A 50 -7.531 3.186 8.603 1.00 0.00 C ATOM 786 O VAL A 50 -7.004 3.198 7.492 1.00 0.00 O ATOM 787 CB VAL A 50 -9.534 1.701 8.702 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.909 0.229 8.699 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.503 2.504 9.558 1.00 0.00 C ATOM 0 H VAL A 50 -8.877 1.703 11.123 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.482 1.050 8.845 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.601 2.072 7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.936 0.116 8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.239 -0.316 8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.821 -0.171 9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.520 2.354 9.195 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.435 2.171 10.594 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.249 3.562 9.499 1.00 0.00 H new ATOM 799 N LYS A 51 -7.657 4.273 9.356 1.00 0.00 N ATOM 800 CA LYS A 51 -7.169 5.574 8.909 1.00 0.00 C ATOM 801 C LYS A 51 -5.644 5.601 8.867 1.00 0.00 C ATOM 802 O LYS A 51 -5.049 6.210 7.979 1.00 0.00 O ATOM 803 CB LYS A 51 -7.684 6.681 9.831 1.00 0.00 C ATOM 804 CG LYS A 51 -9.107 7.115 9.525 1.00 0.00 C ATOM 805 CD LYS A 51 -10.117 6.082 9.999 1.00 0.00 C ATOM 806 CE LYS A 51 -10.059 5.893 11.507 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.389 6.099 12.145 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.093 4.280 10.278 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.545 5.746 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.633 6.335 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.024 7.545 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.309 8.071 10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.219 7.270 8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.120 6.394 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.924 5.130 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.700 4.889 11.733 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.340 6.593 11.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.259 6.494 13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.951 6.758 11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.886 5.188 12.213 1.00 0.00 H new ATOM 821 N LYS A 52 -5.018 4.938 9.835 1.00 0.00 N ATOM 822 CA LYS A 52 -3.562 4.886 9.910 1.00 0.00 C ATOM 823 C LYS A 52 -2.979 4.127 8.722 1.00 0.00 C ATOM 824 O LYS A 52 -1.893 4.447 8.242 1.00 0.00 O ATOM 825 CB LYS A 52 -3.123 4.229 11.222 1.00 0.00 C ATOM 826 CG LYS A 52 -2.415 5.181 12.171 1.00 0.00 C ATOM 827 CD LYS A 52 -1.666 4.428 13.260 1.00 0.00 C ATOM 828 CE LYS A 52 -0.427 5.184 13.706 1.00 0.00 C ATOM 829 NZ LYS A 52 -0.682 5.999 14.927 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.497 4.429 10.578 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.184 5.908 9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.998 3.815 11.722 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.460 3.394 10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.717 5.802 11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.144 5.852 12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.325 4.270 14.114 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.380 3.443 12.892 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.378 4.476 13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.089 5.835 12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.188 6.499 15.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.433 6.692 14.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.980 5.376 15.704 1.00 0.00 H new ATOM 843 N VAL A 53 -3.707 3.117 8.260 1.00 0.00 N ATOM 844 CA VAL A 53 -3.266 2.302 7.133 1.00 0.00 C ATOM 845 C VAL A 53 -3.270 3.096 5.830 1.00 0.00 C ATOM 846 O VAL A 53 -2.384 2.930 4.999 1.00 0.00 O ATOM 847 CB VAL A 53 -4.156 1.055 6.963 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.585 0.128 5.899 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.313 0.325 8.290 1.00 0.00 C ATOM 0 H VAL A 53 -4.609 2.842 8.650 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.246 1.990 7.355 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.143 1.380 6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.228 -0.746 5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.533 0.656 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.585 -0.191 6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.944 -0.552 8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.333 0.013 8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.774 0.991 9.019 1.00 0.00 H new ATOM 859 N GLU A 54 -4.276 3.946 5.650 1.00 0.00 N ATOM 860 CA GLU A 54 -4.387 4.753 4.437 1.00 0.00 C ATOM 861 C GLU A 54 -3.170 5.657 4.261 1.00 0.00 C ATOM 862 O GLU A 54 -2.713 5.885 3.142 1.00 0.00 O ATOM 863 CB GLU A 54 -5.662 5.600 4.472 1.00 0.00 C ATOM 864 CG GLU A 54 -6.881 4.850 4.981 1.00 0.00 C ATOM 865 CD GLU A 54 -8.183 5.436 4.471 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.140 6.232 3.509 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.246 5.100 5.034 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.025 4.095 6.326 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.434 4.071 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.492 6.471 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.868 5.972 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.813 3.806 4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.883 4.865 6.071 1.00 0.00 H new ATOM 874 N GLU A 55 -2.654 6.172 5.369 1.00 0.00 N ATOM 875 CA GLU A 55 -1.489 7.052 5.342 1.00 0.00 C ATOM 876 C GLU A 55 -0.226 6.280 4.966 1.00 0.00 C ATOM 877 O GLU A 55 0.655 6.798 4.285 1.00 0.00 O ATOM 878 CB GLU A 55 -1.303 7.727 6.703 1.00 0.00 C ATOM 879 CG GLU A 55 -0.890 9.187 6.607 1.00 0.00 C ATOM 880 CD GLU A 55 -1.732 10.091 7.487 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.738 9.881 8.718 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.383 11.008 6.946 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.025 5.996 6.303 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.662 7.816 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.235 7.658 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.549 7.181 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.158 9.284 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.971 9.516 5.571 1.00 0.00 H new ATOM 889 N GLU A 56 -0.143 5.043 5.438 1.00 0.00 N ATOM 890 CA GLU A 56 1.011 4.187 5.185 1.00 0.00 C ATOM 891 C GLU A 56 1.248 3.971 3.690 1.00 0.00 C ATOM 892 O GLU A 56 2.384 4.019 3.219 1.00 0.00 O ATOM 893 CB GLU A 56 0.800 2.838 5.875 1.00 0.00 C ATOM 894 CG GLU A 56 1.464 2.738 7.237 1.00 0.00 C ATOM 895 CD GLU A 56 2.943 2.419 7.144 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.361 1.827 6.126 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.684 2.759 8.090 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.870 4.605 6.005 1.00 0.00 H new ATOM 0 HA GLU A 56 1.893 4.684 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.270 2.661 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.187 2.047 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.332 3.679 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.966 1.966 7.824 1.00 0.00 H new ATOM 904 N VAL A 57 0.174 3.714 2.954 1.00 0.00 N ATOM 905 CA VAL A 57 0.263 3.466 1.519 1.00 0.00 C ATOM 906 C VAL A 57 0.576 4.739 0.730 1.00 0.00 C ATOM 907 O VAL A 57 1.280 4.692 -0.278 1.00 0.00 O ATOM 908 CB VAL A 57 -1.033 2.820 0.977 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.088 3.871 0.657 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.722 1.974 -0.247 1.00 0.00 C ATOM 0 H VAL A 57 -0.774 3.672 3.329 1.00 0.00 H new ATOM 0 HA VAL A 57 1.090 2.770 1.379 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.443 2.175 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.986 3.382 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.332 4.428 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.702 4.556 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.641 1.523 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.285 2.603 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.017 1.188 0.024 1.00 0.00 H new ATOM 920 N LYS A 58 0.041 5.870 1.182 1.00 0.00 N ATOM 921 CA LYS A 58 0.259 7.144 0.501 1.00 0.00 C ATOM 922 C LYS A 58 1.749 7.428 0.328 1.00 0.00 C ATOM 923 O LYS A 58 2.162 8.033 -0.658 1.00 0.00 O ATOM 924 CB LYS A 58 -0.430 8.288 1.260 1.00 0.00 C ATOM 925 CG LYS A 58 0.344 8.800 2.467 1.00 0.00 C ATOM 926 CD LYS A 58 0.855 10.217 2.244 1.00 0.00 C ATOM 927 CE LYS A 58 1.183 10.902 3.560 1.00 0.00 C ATOM 928 NZ LYS A 58 0.095 11.820 4.000 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.545 5.931 2.015 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.185 7.075 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.595 9.117 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.412 7.949 1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.298 8.778 3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.185 8.137 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.745 10.190 1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.103 10.796 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.353 10.148 4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.111 11.464 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.360 12.266 4.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.051 12.556 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.785 11.280 4.127 1.00 0.00 H new ATOM 942 N LYS A 59 2.551 6.992 1.291 1.00 0.00 N ATOM 943 CA LYS A 59 3.994 7.197 1.235 1.00 0.00 C ATOM 944 C LYS A 59 4.625 6.371 0.114 1.00 0.00 C ATOM 945 O LYS A 59 5.564 6.815 -0.545 1.00 0.00 O ATOM 946 CB LYS A 59 4.633 6.832 2.577 1.00 0.00 C ATOM 947 CG LYS A 59 3.954 7.484 3.772 1.00 0.00 C ATOM 948 CD LYS A 59 4.585 7.039 5.082 1.00 0.00 C ATOM 949 CE LYS A 59 4.623 8.172 6.094 1.00 0.00 C ATOM 950 NZ LYS A 59 4.372 7.688 7.480 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.227 6.494 2.120 1.00 0.00 H new ATOM 0 HA LYS A 59 4.176 8.251 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.606 5.749 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.683 7.125 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.022 8.568 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.894 7.230 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.021 6.201 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.598 6.681 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.595 8.664 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.875 8.920 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.406 8.491 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.434 7.241 7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.100 6.993 7.742 1.00 0.00 H new ATOM 964 N LEU A 60 4.114 5.156 -0.079 1.00 0.00 N ATOM 965 CA LEU A 60 4.634 4.247 -1.101 1.00 0.00 C ATOM 966 C LEU A 60 4.549 4.845 -2.505 1.00 0.00 C ATOM 967 O LEU A 60 5.503 4.762 -3.278 1.00 0.00 O ATOM 968 CB LEU A 60 3.869 2.922 -1.056 1.00 0.00 C ATOM 969 CG LEU A 60 4.621 1.719 -1.628 1.00 0.00 C ATOM 970 CD1 LEU A 60 4.814 1.873 -3.129 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.961 1.547 -0.930 1.00 0.00 C ATOM 0 H LEU A 60 3.337 4.776 0.461 1.00 0.00 H new ATOM 0 HA LEU A 60 5.688 4.077 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.606 2.707 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.935 3.041 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 60 4.024 0.824 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.351 1.008 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.841 1.945 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.388 2.777 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.482 0.687 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.565 2.443 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.798 1.388 0.136 1.00 0.00 H new ATOM 983 N GLU A 61 3.407 5.439 -2.837 1.00 0.00 N ATOM 984 CA GLU A 61 3.219 6.036 -4.157 1.00 0.00 C ATOM 985 C GLU A 61 4.096 7.271 -4.329 1.00 0.00 C ATOM 986 O GLU A 61 4.577 7.554 -5.425 1.00 0.00 O ATOM 987 CB GLU A 61 1.747 6.390 -4.395 1.00 0.00 C ATOM 988 CG GLU A 61 1.137 7.262 -3.313 1.00 0.00 C ATOM 989 CD GLU A 61 1.316 8.743 -3.586 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.544 9.106 -4.759 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 1.228 9.539 -2.627 1.00 0.00 O ATOM 0 H GLU A 61 2.602 5.520 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 61 3.519 5.297 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.658 6.902 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.170 5.468 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.074 7.038 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.592 7.016 -2.354 1.00 0.00 H new ATOM 998 N GLU A 62 4.306 8.002 -3.238 1.00 0.00 N ATOM 999 CA GLU A 62 5.133 9.203 -3.265 1.00 0.00 C ATOM 1000 C GLU A 62 6.517 8.883 -3.816 1.00 0.00 C ATOM 1001 O GLU A 62 7.113 9.678 -4.542 1.00 0.00 O ATOM 1002 CB GLU A 62 5.256 9.800 -1.861 1.00 0.00 C ATOM 1003 CG GLU A 62 3.995 10.503 -1.386 1.00 0.00 C ATOM 1004 CD GLU A 62 3.741 11.804 -2.122 1.00 0.00 C ATOM 1005 OE1 GLU A 62 3.498 11.757 -3.346 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 3.784 12.872 -1.474 1.00 0.00 O ATOM 0 H GLU A 62 3.914 7.782 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 62 4.654 9.934 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.506 9.005 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.084 10.509 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.141 9.840 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.076 10.704 -0.318 1.00 0.00 H new ATOM 1013 N GLU A 63 7.017 7.703 -3.470 1.00 0.00 N ATOM 1014 CA GLU A 63 8.323 7.258 -3.932 1.00 0.00 C ATOM 1015 C GLU A 63 8.283 6.950 -5.424 1.00 0.00 C ATOM 1016 O GLU A 63 9.272 7.127 -6.133 1.00 0.00 O ATOM 1017 CB GLU A 63 8.771 6.019 -3.154 1.00 0.00 C ATOM 1018 CG GLU A 63 8.584 6.144 -1.650 1.00 0.00 C ATOM 1019 CD GLU A 63 9.276 7.364 -1.076 1.00 0.00 C ATOM 1020 OE1 GLU A 63 8.650 8.445 -1.054 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 10.444 7.240 -0.651 1.00 0.00 O ATOM 0 H GLU A 63 6.534 7.036 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 63 9.040 8.060 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.211 5.154 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.823 5.828 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.519 6.195 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.971 5.249 -1.164 1.00 0.00 H new ATOM 1028 N ILE A 64 7.130 6.474 -5.890 1.00 0.00 N ATOM 1029 CA ILE A 64 6.956 6.126 -7.298 1.00 0.00 C ATOM 1030 C ILE A 64 7.257 7.309 -8.216 1.00 0.00 C ATOM 1031 O ILE A 64 7.973 7.165 -9.208 1.00 0.00 O ATOM 1032 CB ILE A 64 5.523 5.623 -7.576 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.198 4.423 -6.683 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.358 5.256 -9.045 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.800 3.881 -6.884 1.00 0.00 C ATOM 0 H ILE A 64 6.303 6.321 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 64 7.667 5.328 -7.510 1.00 0.00 H new ATOM 0 HB ILE A 64 4.824 6.427 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.918 3.629 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.320 4.713 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.341 4.904 -9.220 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.550 6.133 -9.663 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.065 4.468 -9.305 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.640 3.032 -6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.072 4.660 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.680 3.559 -7.918 1.00 0.00 H new ATOM 1047 N LYS A 65 6.708 8.476 -7.892 1.00 0.00 N ATOM 1048 CA LYS A 65 6.929 9.668 -8.704 1.00 0.00 C ATOM 1049 C LYS A 65 8.348 10.201 -8.519 1.00 0.00 C ATOM 1050 O LYS A 65 8.910 10.824 -9.419 1.00 0.00 O ATOM 1051 CB LYS A 65 5.901 10.753 -8.360 1.00 0.00 C ATOM 1052 CG LYS A 65 6.163 11.457 -7.037 1.00 0.00 C ATOM 1053 CD LYS A 65 4.873 11.962 -6.410 1.00 0.00 C ATOM 1054 CE LYS A 65 4.335 13.178 -7.146 1.00 0.00 C ATOM 1055 NZ LYS A 65 4.665 14.447 -6.440 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.111 8.621 -7.078 1.00 0.00 H new ATOM 0 HA LYS A 65 6.804 9.390 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.890 11.495 -9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.909 10.303 -8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.658 10.771 -6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.843 12.294 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.126 11.168 -6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.050 12.217 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.750 13.205 -8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.253 13.091 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.280 15.252 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.248 14.433 -5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.698 14.544 -6.364 1.00 0.00 H new ATOM 1069 N LYS A 66 8.921 9.949 -7.346 1.00 0.00 N ATOM 1070 CA LYS A 66 10.274 10.401 -7.043 1.00 0.00 C ATOM 1071 C LYS A 66 11.314 9.587 -7.813 1.00 0.00 C ATOM 1072 O LYS A 66 12.480 9.976 -7.892 1.00 0.00 O ATOM 1073 CB LYS A 66 10.543 10.299 -5.541 1.00 0.00 C ATOM 1074 CG LYS A 66 9.881 11.400 -4.727 1.00 0.00 C ATOM 1075 CD LYS A 66 10.785 11.890 -3.607 1.00 0.00 C ATOM 1076 CE LYS A 66 9.981 12.491 -2.464 1.00 0.00 C ATOM 1077 NZ LYS A 66 10.809 12.676 -1.240 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.469 9.434 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 66 10.356 11.443 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.191 9.332 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.619 10.330 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.627 12.234 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.947 11.030 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.386 11.061 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.478 12.635 -3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.572 13.452 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.135 11.843 -2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.225 13.088 -0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.179 11.755 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.602 13.315 -1.451 1.00 0.00 H new ATOM 1091 N LEU A 67 10.891 8.457 -8.377 1.00 0.00 N ATOM 1092 CA LEU A 67 11.794 7.598 -9.134 1.00 0.00 C ATOM 1093 C LEU A 67 11.477 7.651 -10.626 1.00 0.00 C ATOM 1094 O LEU A 67 10.346 8.051 -10.976 1.00 0.00 O ATOM 1095 CB LEU A 67 11.710 6.155 -8.619 1.00 0.00 C ATOM 1096 CG LEU A 67 10.601 5.296 -9.235 1.00 0.00 C ATOM 1097 CD1 LEU A 67 11.115 4.557 -10.460 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.056 4.314 -8.207 1.00 0.00 C ATOM 1099 OXT LEU A 67 12.360 7.290 -11.432 1.00 0.00 O ATOM 0 H LEU A 67 9.931 8.117 -8.323 1.00 0.00 H new ATOM 0 HA LEU A 67 12.811 7.963 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.667 5.667 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.567 6.181 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 67 9.790 5.953 -9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.313 3.952 -10.883 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.457 5.278 -11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.944 3.910 -10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.269 3.712 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.860 3.662 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.648 4.864 -7.359 1.00 0.00 H new TER 1111 LEU A 67