USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=14 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+ 148:sc= 0.00748 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.278) USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.249) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= -0.363 (180deg=-1.44!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -0.278 (180deg=-1.07!) USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -0.638 (180deg=-2.13) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 138:sc= -10.4! USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= -0.0227 (180deg=-0.942) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -1.08 (180deg=-2.11!) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= -0.153 (180deg=-0.236) USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= -0.201 (180deg=-1.26!) USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= -0.108 (180deg=-0.565) 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+ 171:sc= 0 (180deg=-0.0355) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.470 -7.653 7.477 1.00 0.00 N ATOM 2 CA GLY A 1 -15.209 -6.190 7.577 1.00 0.00 C ATOM 3 C GLY A 1 -15.878 -5.405 6.466 1.00 0.00 C ATOM 4 O GLY A 1 -16.000 -5.890 5.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.649 -8.178 7.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.312 -7.895 8.037 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.631 -7.910 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.565 -5.825 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.134 -6.013 7.547 1.00 0.00 H new ATOM 10 N SER A 2 -16.311 -4.189 6.781 1.00 0.00 N ATOM 11 CA SER A 2 -16.970 -3.334 5.802 1.00 0.00 C ATOM 12 C SER A 2 -16.088 -2.146 5.435 1.00 0.00 C ATOM 13 O SER A 2 -16.047 -1.723 4.279 1.00 0.00 O ATOM 14 CB SER A 2 -18.311 -2.838 6.346 1.00 0.00 C ATOM 15 OG SER A 2 -19.110 -2.287 5.314 1.00 0.00 O ATOM 0 H SER A 2 -16.217 -3.773 7.708 1.00 0.00 H new ATOM 0 HA SER A 2 -17.146 -3.925 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.842 -3.664 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.138 -2.087 7.116 1.00 0.00 H new ATOM 0 HG SER A 2 -19.962 -1.979 5.689 1.00 0.00 H new ATOM 21 N ARG A 3 -15.383 -1.609 6.425 1.00 0.00 N ATOM 22 CA ARG A 3 -14.502 -0.468 6.204 1.00 0.00 C ATOM 23 C ARG A 3 -13.047 -0.914 6.095 1.00 0.00 C ATOM 24 O ARG A 3 -12.277 -0.360 5.310 1.00 0.00 O ATOM 25 CB ARG A 3 -14.656 0.552 7.335 1.00 0.00 C ATOM 26 CG ARG A 3 -14.338 -0.009 8.713 1.00 0.00 C ATOM 27 CD ARG A 3 -12.990 0.481 9.217 1.00 0.00 C ATOM 28 NE ARG A 3 -13.104 1.749 9.935 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.575 1.859 11.175 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.969 0.781 11.842 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.649 3.051 11.753 1.00 0.00 N ATOM 0 H ARG A 3 -15.404 -1.945 7.388 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.788 0.001 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.001 1.401 7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.678 0.931 7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.118 0.284 9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.338 -1.098 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.553 -0.271 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.309 0.601 8.374 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.805 2.599 9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.912 -0.139 11.405 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.329 0.872 12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.345 3.883 11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.010 3.135 12.703 1.00 0.00 H new ATOM 45 N VAL A 4 -12.676 -1.917 6.884 1.00 0.00 N ATOM 46 CA VAL A 4 -11.314 -2.434 6.870 1.00 0.00 C ATOM 47 C VAL A 4 -11.040 -3.224 5.594 1.00 0.00 C ATOM 48 O VAL A 4 -9.997 -3.056 4.962 1.00 0.00 O ATOM 49 CB VAL A 4 -11.043 -3.340 8.086 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.573 -3.725 8.150 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.477 -2.651 9.371 1.00 0.00 C ATOM 0 H VAL A 4 -13.299 -2.387 7.540 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.649 -1.572 6.913 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.628 -4.253 7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.402 -4.365 9.016 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.298 -4.261 7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.965 -2.825 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.278 -3.305 10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.921 -1.722 9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.544 -2.432 9.324 1.00 0.00 H new ATOM 61 N LYS A 5 -11.984 -4.081 5.216 1.00 0.00 N ATOM 62 CA LYS A 5 -11.837 -4.890 4.011 1.00 0.00 C ATOM 63 C LYS A 5 -11.720 -3.998 2.781 1.00 0.00 C ATOM 64 O LYS A 5 -10.872 -4.222 1.921 1.00 0.00 O ATOM 65 CB LYS A 5 -13.022 -5.849 3.858 1.00 0.00 C ATOM 66 CG LYS A 5 -13.133 -6.471 2.474 1.00 0.00 C ATOM 67 CD LYS A 5 -11.860 -7.209 2.091 1.00 0.00 C ATOM 68 CE LYS A 5 -11.932 -8.679 2.471 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.409 -8.923 3.844 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.855 -4.233 5.724 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.924 -5.478 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.932 -6.645 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.944 -5.311 4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.976 -7.162 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.338 -5.692 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.694 -7.117 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.007 -6.746 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.966 -9.020 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.360 -9.268 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.172 -9.930 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.556 -8.349 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.133 -8.661 4.543 1.00 0.00 H new ATOM 83 N ALA A 6 -12.572 -2.982 2.708 1.00 0.00 N ATOM 84 CA ALA A 6 -12.553 -2.053 1.587 1.00 0.00 C ATOM 85 C ALA A 6 -11.175 -1.420 1.450 1.00 0.00 C ATOM 86 O ALA A 6 -10.699 -1.165 0.345 1.00 0.00 O ATOM 87 CB ALA A 6 -13.619 -0.985 1.768 1.00 0.00 C ATOM 0 H ALA A 6 -13.283 -2.782 3.411 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.771 -2.603 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.593 -0.298 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.600 -1.456 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.429 -0.434 2.689 1.00 0.00 H new ATOM 93 N LEU A 7 -10.541 -1.178 2.591 1.00 0.00 N ATOM 94 CA LEU A 7 -9.212 -0.585 2.630 1.00 0.00 C ATOM 95 C LEU A 7 -8.213 -1.448 1.864 1.00 0.00 C ATOM 96 O LEU A 7 -7.351 -0.938 1.152 1.00 0.00 O ATOM 97 CB LEU A 7 -8.763 -0.443 4.084 1.00 0.00 C ATOM 98 CG LEU A 7 -8.033 0.855 4.420 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.736 0.958 3.632 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.926 2.058 4.146 1.00 0.00 C ATOM 0 H LEU A 7 -10.932 -1.386 3.510 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.252 0.397 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.640 -0.524 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.110 -1.281 4.328 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.788 0.847 5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.230 1.890 3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.091 0.115 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.957 0.943 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.388 2.974 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.204 2.072 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.825 1.990 4.758 1.00 0.00 H new ATOM 112 N GLU A 8 -8.340 -2.758 2.028 1.00 0.00 N ATOM 113 CA GLU A 8 -7.452 -3.709 1.366 1.00 0.00 C ATOM 114 C GLU A 8 -7.632 -3.682 -0.153 1.00 0.00 C ATOM 115 O GLU A 8 -6.688 -3.931 -0.903 1.00 0.00 O ATOM 116 CB GLU A 8 -7.700 -5.125 1.912 1.00 0.00 C ATOM 117 CG GLU A 8 -8.718 -5.937 1.120 1.00 0.00 C ATOM 118 CD GLU A 8 -8.083 -6.721 -0.012 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.589 -7.839 0.244 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.080 -6.217 -1.154 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.053 -3.190 2.617 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.424 -3.417 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.754 -5.666 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.039 -5.048 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.230 -6.626 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.475 -5.267 0.713 1.00 0.00 H new ATOM 127 N GLU A 9 -8.852 -3.400 -0.598 1.00 0.00 N ATOM 128 CA GLU A 9 -9.162 -3.363 -2.026 1.00 0.00 C ATOM 129 C GLU A 9 -8.454 -2.211 -2.739 1.00 0.00 C ATOM 130 O GLU A 9 -8.023 -2.356 -3.881 1.00 0.00 O ATOM 131 CB GLU A 9 -10.675 -3.250 -2.231 1.00 0.00 C ATOM 132 CG GLU A 9 -11.322 -4.540 -2.707 1.00 0.00 C ATOM 133 CD GLU A 9 -11.392 -4.633 -4.218 1.00 0.00 C ATOM 134 OE1 GLU A 9 -12.086 -3.798 -4.834 1.00 0.00 O ATOM 135 OE2 GLU A 9 -10.752 -5.543 -4.787 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.645 -3.193 0.010 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.799 -4.293 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.139 -2.945 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.877 -2.462 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.759 -5.389 -2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.329 -4.611 -2.295 1.00 0.00 H new ATOM 142 N LYS A 10 -8.353 -1.067 -2.071 1.00 0.00 N ATOM 143 CA LYS A 10 -7.711 0.108 -2.660 1.00 0.00 C ATOM 144 C LYS A 10 -6.195 -0.061 -2.749 1.00 0.00 C ATOM 145 O LYS A 10 -5.561 0.428 -3.685 1.00 0.00 O ATOM 146 CB LYS A 10 -8.052 1.360 -1.847 1.00 0.00 C ATOM 147 CG LYS A 10 -7.598 1.294 -0.398 1.00 0.00 C ATOM 148 CD LYS A 10 -7.343 2.681 0.168 1.00 0.00 C ATOM 149 CE LYS A 10 -8.630 3.334 0.646 1.00 0.00 C ATOM 150 NZ LYS A 10 -8.375 4.629 1.336 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.705 -0.926 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.094 0.220 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.593 2.227 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.130 1.516 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.357 0.790 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.688 0.698 -0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.639 2.613 0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.878 3.306 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.290 3.500 -0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.150 2.658 1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.200 4.881 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.537 4.538 1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.209 5.373 0.628 1.00 0.00 H new ATOM 164 N VAL A 11 -5.618 -0.738 -1.763 1.00 0.00 N ATOM 165 CA VAL A 11 -4.176 -0.957 -1.718 1.00 0.00 C ATOM 166 C VAL A 11 -3.686 -1.801 -2.894 1.00 0.00 C ATOM 167 O VAL A 11 -2.636 -1.523 -3.469 1.00 0.00 O ATOM 168 CB VAL A 11 -3.765 -1.650 -0.401 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.254 -1.808 -0.316 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.297 -0.875 0.796 1.00 0.00 C ATOM 0 H VAL A 11 -6.129 -1.147 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.712 0.027 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.205 -2.647 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.992 -2.299 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.904 -2.412 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.783 -0.826 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.998 -1.377 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.889 0.136 0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.385 -0.828 0.745 1.00 0.00 H new ATOM 180 N LYS A 12 -4.442 -2.838 -3.228 1.00 0.00 N ATOM 181 CA LYS A 12 -4.079 -3.738 -4.319 1.00 0.00 C ATOM 182 C LYS A 12 -4.199 -3.063 -5.673 1.00 0.00 C ATOM 183 O LYS A 12 -3.361 -3.262 -6.552 1.00 0.00 O ATOM 184 CB LYS A 12 -4.947 -4.993 -4.288 1.00 0.00 C ATOM 185 CG LYS A 12 -4.284 -6.204 -4.920 1.00 0.00 C ATOM 186 CD LYS A 12 -4.687 -7.481 -4.208 1.00 0.00 C ATOM 187 CE LYS A 12 -4.644 -8.680 -5.142 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.208 -9.902 -4.504 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.315 -3.079 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.035 -4.016 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.199 -5.225 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.884 -4.790 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.562 -6.267 -5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.201 -6.090 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.020 -7.653 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.693 -7.371 -3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.203 -8.453 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.613 -8.870 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.160 -10.697 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.659 -10.134 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.199 -9.730 -4.241 1.00 0.00 H new ATOM 202 N ALA A 13 -5.243 -2.266 -5.842 1.00 0.00 N ATOM 203 CA ALA A 13 -5.457 -1.569 -7.099 1.00 0.00 C ATOM 204 C ALA A 13 -4.235 -0.731 -7.433 1.00 0.00 C ATOM 205 O ALA A 13 -3.832 -0.629 -8.592 1.00 0.00 O ATOM 206 CB ALA A 13 -6.701 -0.697 -7.023 1.00 0.00 C ATOM 0 H ALA A 13 -5.950 -2.087 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.609 -2.303 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.844 -0.183 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.570 -1.320 -6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.582 0.039 -6.228 1.00 0.00 H new ATOM 212 N LEU A 14 -3.628 -0.161 -6.398 1.00 0.00 N ATOM 213 CA LEU A 14 -2.423 0.636 -6.577 1.00 0.00 C ATOM 214 C LEU A 14 -1.247 -0.264 -6.935 1.00 0.00 C ATOM 215 O LEU A 14 -0.327 0.142 -7.636 1.00 0.00 O ATOM 216 CB LEU A 14 -2.101 1.440 -5.318 1.00 0.00 C ATOM 217 CG LEU A 14 -1.357 2.752 -5.572 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.684 3.772 -4.494 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.145 2.510 -5.649 1.00 0.00 C ATOM 0 H LEU A 14 -3.949 -0.236 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.600 1.337 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.032 1.661 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.501 0.821 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.687 3.153 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.145 4.698 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.756 3.970 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.386 3.381 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.657 3.455 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.493 2.083 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.361 1.818 -6.463 1.00 0.00 H new ATOM 231 N GLU A 15 -1.293 -1.490 -6.428 1.00 0.00 N ATOM 232 CA GLU A 15 -0.247 -2.478 -6.658 1.00 0.00 C ATOM 233 C GLU A 15 0.041 -2.670 -8.147 1.00 0.00 C ATOM 234 O GLU A 15 1.189 -2.850 -8.550 1.00 0.00 O ATOM 235 CB GLU A 15 -0.667 -3.810 -6.038 1.00 0.00 C ATOM 236 CG GLU A 15 0.498 -4.705 -5.669 1.00 0.00 C ATOM 237 CD GLU A 15 0.271 -5.456 -4.371 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.371 -6.527 -4.410 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.737 -4.974 -3.318 1.00 0.00 O1- ATOM 0 H GLU A 15 -2.059 -1.827 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 15 0.668 -2.115 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.260 -3.614 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.312 -4.339 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.670 -5.421 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.401 -4.101 -5.581 1.00 0.00 H new ATOM 246 N GLU A 16 -1.013 -2.649 -8.949 1.00 0.00 N ATOM 247 CA GLU A 16 -0.897 -2.839 -10.394 1.00 0.00 C ATOM 248 C GLU A 16 -0.138 -1.694 -11.052 1.00 0.00 C ATOM 249 O GLU A 16 0.594 -1.900 -12.017 1.00 0.00 O ATOM 250 CB GLU A 16 -2.285 -2.970 -11.022 1.00 0.00 C ATOM 251 CG GLU A 16 -2.889 -4.357 -10.880 1.00 0.00 C ATOM 252 CD GLU A 16 -3.942 -4.646 -11.931 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.908 -3.861 -12.034 1.00 0.00 O ATOM 254 OE2 GLU A 16 -3.802 -5.657 -12.651 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.968 -2.501 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.333 -3.757 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.953 -2.243 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.221 -2.717 -12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.097 -5.103 -10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.333 -4.456 -9.890 1.00 0.00 H new ATOM 261 N LYS A 17 -0.321 -0.488 -10.531 1.00 0.00 N ATOM 262 CA LYS A 17 0.349 0.686 -11.076 1.00 0.00 C ATOM 263 C LYS A 17 1.853 0.625 -10.814 1.00 0.00 C ATOM 264 O LYS A 17 2.650 1.157 -11.588 1.00 0.00 O ATOM 265 CB LYS A 17 -0.257 1.975 -10.499 1.00 0.00 C ATOM 266 CG LYS A 17 0.196 2.311 -9.085 1.00 0.00 C ATOM 267 CD LYS A 17 0.768 3.717 -9.000 1.00 0.00 C ATOM 268 CE LYS A 17 2.085 3.832 -9.751 1.00 0.00 C ATOM 269 NZ LYS A 17 1.908 4.457 -11.091 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.927 -0.297 -9.733 1.00 0.00 H new ATOM 0 HA LYS A 17 0.196 0.694 -12.155 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.001 2.807 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.343 1.885 -10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.647 2.219 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.948 1.591 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.051 4.428 -9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.920 3.986 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.787 4.424 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.524 2.841 -9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.188 3.780 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.910 4.719 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.502 5.308 -11.158 1.00 0.00 H new ATOM 283 N VAL A 18 2.232 -0.014 -9.710 1.00 0.00 N ATOM 284 CA VAL A 18 3.639 -0.133 -9.336 1.00 0.00 C ATOM 285 C VAL A 18 4.409 -1.034 -10.299 1.00 0.00 C ATOM 286 O VAL A 18 5.506 -0.694 -10.737 1.00 0.00 O ATOM 287 CB VAL A 18 3.793 -0.684 -7.904 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.251 -0.652 -7.470 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.923 0.098 -6.932 1.00 0.00 C ATOM 0 H VAL A 18 1.584 -0.457 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 18 4.056 0.873 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 18 3.460 -1.722 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.338 -1.045 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.846 -1.263 -8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.615 0.375 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.046 -0.306 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.220 1.147 -6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.878 0.015 -7.231 1.00 0.00 H new ATOM 299 N LYS A 19 3.831 -2.185 -10.620 1.00 0.00 N ATOM 300 CA LYS A 19 4.468 -3.135 -11.527 1.00 0.00 C ATOM 301 C LYS A 19 4.491 -2.603 -12.958 1.00 0.00 C ATOM 302 O LYS A 19 5.310 -3.026 -13.774 1.00 0.00 O ATOM 303 CB LYS A 19 3.739 -4.479 -11.483 1.00 0.00 C ATOM 304 CG LYS A 19 2.295 -4.404 -11.950 1.00 0.00 C ATOM 305 CD LYS A 19 1.899 -5.641 -12.740 1.00 0.00 C ATOM 306 CE LYS A 19 1.740 -6.852 -11.834 1.00 0.00 C ATOM 307 NZ LYS A 19 0.705 -7.794 -12.344 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.922 -2.484 -10.266 1.00 0.00 H new ATOM 0 HA LYS A 19 5.498 -3.273 -11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.276 -5.195 -12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.763 -4.862 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.638 -4.296 -11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.157 -3.517 -12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.963 -5.454 -13.267 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.655 -5.848 -13.497 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.695 -7.371 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.468 -6.522 -10.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.627 -8.606 -11.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.212 -7.306 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.976 -8.129 -13.290 1.00 0.00 H new ATOM 321 N ALA A 20 3.582 -1.681 -13.257 1.00 0.00 N ATOM 322 CA ALA A 20 3.491 -1.101 -14.591 1.00 0.00 C ATOM 323 C ALA A 20 4.380 0.134 -14.733 1.00 0.00 C ATOM 324 O ALA A 20 4.612 0.612 -15.844 1.00 0.00 O ATOM 325 CB ALA A 20 2.044 -0.752 -14.907 1.00 0.00 C ATOM 0 H ALA A 20 2.898 -1.319 -12.593 1.00 0.00 H new ATOM 0 HA ALA A 20 3.847 -1.844 -15.305 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.984 -0.319 -15.906 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.435 -1.655 -14.866 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.676 -0.032 -14.176 1.00 0.00 H new ATOM 331 N LEU A 21 4.875 0.650 -13.611 1.00 0.00 N ATOM 332 CA LEU A 21 5.733 1.830 -13.633 1.00 0.00 C ATOM 333 C LEU A 21 7.103 1.499 -14.220 1.00 0.00 C ATOM 334 O LEU A 21 7.711 2.323 -14.904 1.00 0.00 O ATOM 335 CB LEU A 21 5.884 2.409 -12.221 1.00 0.00 C ATOM 336 CG LEU A 21 6.921 1.716 -11.331 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.295 2.342 -11.526 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.499 1.784 -9.869 1.00 0.00 C ATOM 0 H LEU A 21 4.698 0.272 -12.680 1.00 0.00 H new ATOM 0 HA LEU A 21 5.262 2.579 -14.270 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.150 3.463 -12.306 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.915 2.364 -11.723 1.00 0.00 H new ATOM 0 HG LEU A 21 6.980 0.667 -11.621 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.019 1.837 -10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.597 2.238 -12.568 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.254 3.399 -11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.247 1.287 -9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.411 2.827 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.537 1.287 -9.744 1.00 0.00 H new ATOM 350 N GLY A 22 7.582 0.290 -13.950 1.00 0.00 N ATOM 351 CA GLY A 22 8.876 -0.126 -14.460 1.00 0.00 C ATOM 352 C GLY A 22 9.333 -1.450 -13.880 1.00 0.00 C ATOM 353 O GLY A 22 8.517 -2.325 -13.592 1.00 0.00 O ATOM 0 H GLY A 22 7.098 -0.410 -13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.825 -0.207 -15.546 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.616 0.641 -14.232 1.00 0.00 H new ATOM 357 N GLY A 23 10.643 -1.597 -13.712 1.00 0.00 N ATOM 358 CA GLY A 23 11.188 -2.826 -13.165 1.00 0.00 C ATOM 359 C GLY A 23 12.704 -2.831 -13.152 1.00 0.00 C ATOM 360 O GLY A 23 13.336 -3.280 -14.108 1.00 0.00 O ATOM 0 H GLY A 23 11.337 -0.887 -13.945 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.818 -2.963 -12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.830 -3.672 -13.752 1.00 0.00 H new ATOM 364 N GLY A 24 13.291 -2.331 -12.068 1.00 0.00 N ATOM 365 CA GLY A 24 14.739 -2.293 -11.964 1.00 0.00 C ATOM 366 C GLY A 24 15.218 -1.815 -10.607 1.00 0.00 C ATOM 367 O GLY A 24 15.565 -0.646 -10.439 1.00 0.00 O ATOM 0 H GLY A 24 12.792 -1.953 -11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.139 -3.289 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.137 -1.636 -12.737 1.00 0.00 H new ATOM 371 N GLY A 25 15.245 -2.724 -9.636 1.00 0.00 N ATOM 372 CA GLY A 25 15.697 -2.372 -8.301 1.00 0.00 C ATOM 373 C GLY A 25 14.678 -1.558 -7.528 1.00 0.00 C ATOM 374 O GLY A 25 13.878 -2.110 -6.772 1.00 0.00 O ATOM 0 H GLY A 25 14.962 -3.697 -9.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.922 -3.283 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.626 -1.806 -8.375 1.00 0.00 H new ATOM 378 N ARG A 26 14.712 -0.242 -7.709 1.00 0.00 N ATOM 379 CA ARG A 26 13.789 0.651 -7.016 1.00 0.00 C ATOM 380 C ARG A 26 12.339 0.236 -7.249 1.00 0.00 C ATOM 381 O ARG A 26 11.508 0.332 -6.353 1.00 0.00 O ATOM 382 CB ARG A 26 13.999 2.097 -7.479 1.00 0.00 C ATOM 383 CG ARG A 26 12.885 3.044 -7.051 1.00 0.00 C ATOM 384 CD ARG A 26 13.364 4.484 -6.989 1.00 0.00 C ATOM 385 NE ARG A 26 13.438 4.976 -5.614 1.00 0.00 N ATOM 386 CZ ARG A 26 14.161 6.029 -5.240 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.870 6.709 -6.134 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 14.175 6.405 -3.969 1.00 0.00 N ATOM 0 H ARG A 26 15.369 0.230 -8.330 1.00 0.00 H new ATOM 0 HA ARG A 26 13.997 0.583 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.947 2.462 -7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.080 2.113 -8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.053 2.967 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.508 2.744 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.346 4.560 -7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.688 5.116 -7.565 1.00 0.00 H new ATOM 0 HE ARG A 26 12.904 4.483 -4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.862 6.425 -7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.422 7.515 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.632 5.887 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.729 7.212 -3.682 1.00 0.00 H new ATOM 402 N ILE A 27 12.041 -0.204 -8.464 1.00 0.00 N ATOM 403 CA ILE A 27 10.688 -0.623 -8.820 1.00 0.00 C ATOM 404 C ILE A 27 10.268 -1.901 -8.089 1.00 0.00 C ATOM 405 O ILE A 27 9.147 -2.002 -7.593 1.00 0.00 O ATOM 406 CB ILE A 27 10.543 -0.855 -10.339 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.351 0.178 -11.133 1.00 0.00 C ATOM 408 CG2 ILE A 27 9.076 -0.807 -10.741 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.146 1.605 -10.668 1.00 0.00 C ATOM 0 H ILE A 27 12.718 -0.281 -9.223 1.00 0.00 H new ATOM 0 HA ILE A 27 10.035 0.194 -8.512 1.00 0.00 H new ATOM 0 HB ILE A 27 10.939 -1.843 -10.572 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.410 -0.069 -11.060 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.079 0.106 -12.186 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.987 -0.972 -11.815 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.527 -1.583 -10.208 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.661 0.169 -10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.750 2.277 -11.278 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.094 1.872 -10.767 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.446 1.694 -9.624 1.00 0.00 H new ATOM 421 N GLU A 28 11.166 -2.884 -8.058 1.00 0.00 N ATOM 422 CA GLU A 28 10.880 -4.173 -7.424 1.00 0.00 C ATOM 423 C GLU A 28 10.768 -4.069 -5.903 1.00 0.00 C ATOM 424 O GLU A 28 9.856 -4.631 -5.305 1.00 0.00 O ATOM 425 CB GLU A 28 11.958 -5.195 -7.794 1.00 0.00 C ATOM 426 CG GLU A 28 13.373 -4.739 -7.478 1.00 0.00 C ATOM 427 CD GLU A 28 14.408 -5.811 -7.758 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.702 -6.605 -6.840 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 14.923 -5.856 -8.894 1.00 0.00 O ATOM 0 H GLU A 28 12.099 -2.814 -8.464 1.00 0.00 H new ATOM 0 HA GLU A 28 9.911 -4.502 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.760 -6.126 -7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.887 -5.414 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.605 -3.852 -8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.431 -4.448 -6.429 1.00 0.00 H new ATOM 436 N GLU A 29 11.703 -3.369 -5.283 1.00 0.00 N ATOM 437 CA GLU A 29 11.705 -3.216 -3.831 1.00 0.00 C ATOM 438 C GLU A 29 10.439 -2.520 -3.334 1.00 0.00 C ATOM 439 O GLU A 29 9.913 -2.848 -2.270 1.00 0.00 O ATOM 440 CB GLU A 29 12.939 -2.430 -3.384 1.00 0.00 C ATOM 441 CG GLU A 29 13.116 -1.107 -4.112 1.00 0.00 C ATOM 442 CD GLU A 29 12.688 0.081 -3.273 1.00 0.00 C ATOM 443 OE1 GLU A 29 11.568 0.046 -2.722 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 13.473 1.047 -3.167 1.00 0.00 O ATOM 0 H GLU A 29 12.472 -2.896 -5.759 1.00 0.00 H new ATOM 0 HA GLU A 29 11.732 -4.215 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.869 -2.239 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.826 -3.043 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.162 -0.989 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.536 -1.124 -5.035 1.00 0.00 H new ATOM 451 N LEU A 30 9.983 -1.536 -4.095 1.00 0.00 N ATOM 452 CA LEU A 30 8.809 -0.751 -3.737 1.00 0.00 C ATOM 453 C LEU A 30 7.551 -1.606 -3.570 1.00 0.00 C ATOM 454 O LEU A 30 6.818 -1.448 -2.593 1.00 0.00 O ATOM 455 CB LEU A 30 8.576 0.309 -4.813 1.00 0.00 C ATOM 456 CG LEU A 30 8.264 1.713 -4.296 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.506 2.339 -3.681 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.729 2.584 -5.422 1.00 0.00 C ATOM 0 H LEU A 30 10.415 -1.259 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 30 9.003 -0.286 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.463 0.362 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.752 -0.017 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 30 7.498 1.638 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.268 3.339 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.850 1.723 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.291 2.404 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.511 3.581 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.475 2.654 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.817 2.142 -5.822 1.00 0.00 H new ATOM 470 N LYS A 31 7.292 -2.505 -4.516 1.00 0.00 N ATOM 471 CA LYS A 31 6.105 -3.357 -4.434 1.00 0.00 C ATOM 472 C LYS A 31 6.186 -4.323 -3.262 1.00 0.00 C ATOM 473 O LYS A 31 5.172 -4.642 -2.651 1.00 0.00 O ATOM 474 CB LYS A 31 5.843 -4.122 -5.732 1.00 0.00 C ATOM 475 CG LYS A 31 7.090 -4.506 -6.511 1.00 0.00 C ATOM 476 CD LYS A 31 6.778 -5.562 -7.560 1.00 0.00 C ATOM 477 CE LYS A 31 7.685 -5.440 -8.775 1.00 0.00 C ATOM 478 NZ LYS A 31 7.775 -4.036 -9.264 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.877 -2.663 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 31 5.263 -2.685 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.286 -5.029 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.205 -3.514 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.507 -3.622 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.849 -4.883 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.890 -6.554 -7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.738 -5.467 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.682 -5.800 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.309 -6.079 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.214 -4.024 -10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.821 -3.626 -9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.353 -3.476 -8.606 1.00 0.00 H new ATOM 492 N LYS A 32 7.391 -4.795 -2.954 1.00 0.00 N ATOM 493 CA LYS A 32 7.579 -5.730 -1.852 1.00 0.00 C ATOM 494 C LYS A 32 7.036 -5.134 -0.559 1.00 0.00 C ATOM 495 O LYS A 32 6.403 -5.824 0.238 1.00 0.00 O ATOM 496 CB LYS A 32 9.060 -6.074 -1.697 1.00 0.00 C ATOM 497 CG LYS A 32 9.466 -7.339 -2.436 1.00 0.00 C ATOM 498 CD LYS A 32 9.125 -7.256 -3.916 1.00 0.00 C ATOM 499 CE LYS A 32 10.296 -7.685 -4.785 1.00 0.00 C ATOM 500 NZ LYS A 32 11.529 -6.908 -4.478 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.247 -4.546 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 32 7.030 -6.646 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.659 -5.240 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.289 -6.191 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.537 -7.503 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.961 -8.198 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.263 -7.889 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.840 -6.235 -4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.489 -8.747 -4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.036 -7.553 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.136 -6.872 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.269 -5.941 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.044 -7.367 -3.700 1.00 0.00 H new ATOM 514 N LYS A 33 7.269 -3.841 -0.373 1.00 0.00 N ATOM 515 CA LYS A 33 6.781 -3.142 0.806 1.00 0.00 C ATOM 516 C LYS A 33 5.256 -3.116 0.801 1.00 0.00 C ATOM 517 O LYS A 33 4.617 -3.204 1.849 1.00 0.00 O ATOM 518 CB LYS A 33 7.333 -1.715 0.848 1.00 0.00 C ATOM 519 CG LYS A 33 6.965 -0.958 2.115 1.00 0.00 C ATOM 520 CD LYS A 33 8.188 -0.682 2.976 1.00 0.00 C ATOM 521 CE LYS A 33 9.042 0.432 2.391 1.00 0.00 C ATOM 522 NZ LYS A 33 8.727 1.753 3.002 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.793 -3.256 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 33 7.124 -3.672 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.419 -1.751 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.960 -1.164 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.485 -0.016 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.239 -1.536 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.871 -0.409 3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.784 -1.590 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.096 0.202 2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.884 0.483 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.330 2.485 2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.728 1.985 2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.903 1.712 4.026 1.00 0.00 H new ATOM 536 N TYR A 34 4.686 -2.995 -0.395 1.00 0.00 N ATOM 537 CA TYR A 34 3.237 -2.957 -0.562 1.00 0.00 C ATOM 538 C TYR A 34 2.577 -4.201 0.035 1.00 0.00 C ATOM 539 O TYR A 34 1.499 -4.116 0.616 1.00 0.00 O ATOM 540 CB TYR A 34 2.868 -2.817 -2.044 1.00 0.00 C ATOM 541 CG TYR A 34 2.042 -1.586 -2.336 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.737 -1.477 -1.874 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.570 -0.531 -3.070 1.00 0.00 C ATOM 544 CE1 TYR A 34 -0.018 -0.350 -2.134 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.820 0.599 -3.334 1.00 0.00 C ATOM 546 CZ TYR A 34 0.527 0.684 -2.864 1.00 0.00 C ATOM 547 OH TYR A 34 -0.221 1.809 -3.120 1.00 0.00 O ATOM 0 H TYR A 34 5.210 -2.921 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 34 2.863 -2.086 -0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.781 -2.784 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.315 -3.702 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.306 -2.286 -1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.583 -0.595 -3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.031 -0.279 -1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.245 1.411 -3.905 1.00 0.00 H new ATOM 0 HH TYR A 34 0.337 2.606 -3.004 1.00 0.00 H new ATOM 557 N GLU A 35 3.228 -5.353 -0.109 1.00 0.00 N ATOM 558 CA GLU A 35 2.693 -6.601 0.426 1.00 0.00 C ATOM 559 C GLU A 35 2.455 -6.478 1.927 1.00 0.00 C ATOM 560 O GLU A 35 1.433 -6.925 2.445 1.00 0.00 O ATOM 561 CB GLU A 35 3.654 -7.757 0.141 1.00 0.00 C ATOM 562 CG GLU A 35 3.804 -8.072 -1.338 1.00 0.00 C ATOM 563 CD GLU A 35 2.782 -9.079 -1.828 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.963 -10.286 -1.561 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 1.800 -8.661 -2.477 1.00 0.00 O ATOM 0 H GLU A 35 4.123 -5.448 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 35 1.741 -6.806 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.633 -7.515 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.301 -8.648 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.706 -7.151 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.806 -8.458 -1.523 1.00 0.00 H new ATOM 572 N GLU A 36 3.406 -5.852 2.614 1.00 0.00 N ATOM 573 CA GLU A 36 3.308 -5.645 4.054 1.00 0.00 C ATOM 574 C GLU A 36 2.071 -4.820 4.391 1.00 0.00 C ATOM 575 O GLU A 36 1.415 -5.047 5.403 1.00 0.00 O ATOM 576 CB GLU A 36 4.563 -4.944 4.577 1.00 0.00 C ATOM 577 CG GLU A 36 4.545 -4.702 6.078 1.00 0.00 C ATOM 578 CD GLU A 36 5.872 -5.025 6.737 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.107 -6.211 7.047 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 6.675 -4.091 6.943 1.00 0.00 O ATOM 0 H GLU A 36 4.257 -5.478 2.194 1.00 0.00 H new ATOM 0 HA GLU A 36 3.221 -6.619 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.436 -5.545 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.675 -3.988 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.292 -3.660 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.761 -5.309 6.531 1.00 0.00 H new ATOM 587 N LEU A 37 1.773 -3.852 3.535 1.00 0.00 N ATOM 588 CA LEU A 37 0.627 -2.970 3.725 1.00 0.00 C ATOM 589 C LEU A 37 -0.687 -3.755 3.790 1.00 0.00 C ATOM 590 O LEU A 37 -1.576 -3.433 4.579 1.00 0.00 O ATOM 591 CB LEU A 37 0.570 -1.959 2.575 1.00 0.00 C ATOM 592 CG LEU A 37 1.030 -0.543 2.916 1.00 0.00 C ATOM 593 CD1 LEU A 37 0.944 0.345 1.690 1.00 0.00 C ATOM 594 CD2 LEU A 37 0.198 0.030 4.052 1.00 0.00 C ATOM 0 H LEU A 37 2.315 -3.656 2.693 1.00 0.00 H new ATOM 0 HA LEU A 37 0.751 -2.451 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.184 -2.333 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.455 -1.910 2.209 1.00 0.00 H new ATOM 0 HG LEU A 37 2.069 -0.584 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.275 1.352 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.582 -0.058 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.087 0.380 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.541 1.039 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.850 0.061 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.307 -0.599 4.936 1.00 0.00 H new ATOM 606 N LYS A 38 -0.810 -4.771 2.940 1.00 0.00 N ATOM 607 CA LYS A 38 -2.021 -5.590 2.877 1.00 0.00 C ATOM 608 C LYS A 38 -2.258 -6.388 4.159 1.00 0.00 C ATOM 609 O LYS A 38 -3.368 -6.405 4.687 1.00 0.00 O ATOM 610 CB LYS A 38 -1.943 -6.547 1.685 1.00 0.00 C ATOM 611 CG LYS A 38 -2.386 -5.919 0.373 1.00 0.00 C ATOM 612 CD LYS A 38 -2.159 -6.861 -0.799 1.00 0.00 C ATOM 613 CE LYS A 38 -2.992 -8.126 -0.665 1.00 0.00 C ATOM 614 NZ LYS A 38 -4.452 -7.839 -0.733 1.00 0.00 N1+ ATOM 0 H LYS A 38 -0.083 -5.049 2.281 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.862 -4.907 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.918 -6.902 1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.563 -7.420 1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.443 -5.657 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.837 -4.992 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.413 -6.354 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.103 -7.124 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.722 -8.824 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.762 -8.614 0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.954 -8.676 -1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.804 -7.605 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.618 -7.036 -1.372 1.00 0.00 H new ATOM 628 N LYS A 39 -1.221 -7.065 4.640 1.00 0.00 N ATOM 629 CA LYS A 39 -1.326 -7.886 5.844 1.00 0.00 C ATOM 630 C LYS A 39 -1.812 -7.081 7.047 1.00 0.00 C ATOM 631 O LYS A 39 -2.566 -7.588 7.873 1.00 0.00 O ATOM 632 CB LYS A 39 0.020 -8.543 6.161 1.00 0.00 C ATOM 633 CG LYS A 39 1.160 -7.554 6.333 1.00 0.00 C ATOM 634 CD LYS A 39 2.305 -8.157 7.130 1.00 0.00 C ATOM 635 CE LYS A 39 2.968 -9.299 6.376 1.00 0.00 C ATOM 636 NZ LYS A 39 3.836 -8.804 5.271 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.294 -7.062 4.214 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.068 -8.659 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.079 -9.131 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.272 -9.238 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.522 -7.241 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.794 -6.660 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.044 -7.386 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.932 -8.520 8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.565 -9.893 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.202 -9.958 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.560 -9.518 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.256 -8.628 4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.299 -7.920 5.563 1.00 0.00 H new ATOM 650 N LYS A 40 -1.368 -5.833 7.149 1.00 0.00 N ATOM 651 CA LYS A 40 -1.755 -4.971 8.264 1.00 0.00 C ATOM 652 C LYS A 40 -3.268 -4.777 8.308 1.00 0.00 C ATOM 653 O LYS A 40 -3.859 -4.662 9.383 1.00 0.00 O ATOM 654 CB LYS A 40 -1.056 -3.614 8.147 1.00 0.00 C ATOM 655 CG LYS A 40 -0.540 -3.080 9.473 1.00 0.00 C ATOM 656 CD LYS A 40 0.718 -2.246 9.286 1.00 0.00 C ATOM 657 CE LYS A 40 1.973 -3.078 9.489 1.00 0.00 C ATOM 658 NZ LYS A 40 2.444 -3.694 8.218 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.741 -5.394 6.475 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.446 -5.455 9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.222 -3.703 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.752 -2.892 7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.312 -2.475 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.330 -3.912 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.724 -1.814 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.713 -1.415 9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.762 -2.449 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.774 -3.862 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.364 -4.154 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.753 -4.402 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.545 -2.957 7.491 1.00 0.00 H new ATOM 672 N ILE A 41 -3.888 -4.746 7.136 1.00 0.00 N ATOM 673 CA ILE A 41 -5.331 -4.572 7.032 1.00 0.00 C ATOM 674 C ILE A 41 -6.057 -5.825 7.506 1.00 0.00 C ATOM 675 O ILE A 41 -7.131 -5.749 8.103 1.00 0.00 O ATOM 676 CB ILE A 41 -5.749 -4.257 5.582 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.946 -3.072 5.045 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.243 -3.969 5.505 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.910 -3.001 3.534 1.00 0.00 C ATOM 0 H ILE A 41 -3.411 -4.840 6.239 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.608 -3.731 7.668 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.537 -5.129 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.373 -2.148 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.925 -3.135 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.518 -3.749 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.800 -4.840 5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.481 -3.112 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.323 -2.136 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.455 -3.909 3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.926 -2.907 3.150 1.00 0.00 H new ATOM 691 N GLU A 42 -5.453 -6.975 7.237 1.00 0.00 N ATOM 692 CA GLU A 42 -6.021 -8.255 7.634 1.00 0.00 C ATOM 693 C GLU A 42 -6.152 -8.337 9.150 1.00 0.00 C ATOM 694 O GLU A 42 -7.080 -8.954 9.673 1.00 0.00 O ATOM 695 CB GLU A 42 -5.147 -9.401 7.115 1.00 0.00 C ATOM 696 CG GLU A 42 -5.902 -10.397 6.248 1.00 0.00 C ATOM 697 CD GLU A 42 -6.159 -11.712 6.959 1.00 0.00 C ATOM 698 OE1 GLU A 42 -7.110 -11.774 7.766 1.00 0.00 O ATOM 699 OE2 GLU A 42 -5.410 -12.679 6.707 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.564 -7.047 6.742 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.016 -8.343 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.320 -8.985 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.711 -9.928 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.853 -9.961 5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.333 -10.586 5.338 1.00 0.00 H new ATOM 706 N GLU A 43 -5.211 -7.713 9.852 1.00 0.00 N ATOM 707 CA GLU A 43 -5.214 -7.715 11.310 1.00 0.00 C ATOM 708 C GLU A 43 -6.224 -6.711 11.855 1.00 0.00 C ATOM 709 O GLU A 43 -6.800 -6.912 12.924 1.00 0.00 O ATOM 710 CB GLU A 43 -3.816 -7.395 11.844 1.00 0.00 C ATOM 711 CG GLU A 43 -2.931 -8.620 12.005 1.00 0.00 C ATOM 712 CD GLU A 43 -1.784 -8.389 12.968 1.00 0.00 C ATOM 713 OE1 GLU A 43 -2.050 -8.008 14.127 1.00 0.00 O ATOM 714 OE2 GLU A 43 -0.619 -8.589 12.562 1.00 0.00 O1- ATOM 0 H GLU A 43 -4.436 -7.199 9.433 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.504 -8.710 11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.330 -6.692 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.910 -6.896 12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.535 -9.456 12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.531 -8.905 11.032 1.00 0.00 H new ATOM 721 N LEU A 44 -6.432 -5.629 11.112 1.00 0.00 N ATOM 722 CA LEU A 44 -7.371 -4.591 11.519 1.00 0.00 C ATOM 723 C LEU A 44 -8.774 -5.165 11.696 1.00 0.00 C ATOM 724 O LEU A 44 -9.366 -5.687 10.751 1.00 0.00 O ATOM 725 CB LEU A 44 -7.392 -3.464 10.484 1.00 0.00 C ATOM 726 CG LEU A 44 -6.393 -2.334 10.738 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.185 -1.513 9.475 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.869 -1.448 11.880 1.00 0.00 C ATOM 0 H LEU A 44 -5.963 -5.448 10.225 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.041 -4.190 12.477 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.193 -3.890 9.501 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.396 -3.040 10.451 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.438 -2.776 11.022 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.471 -0.714 9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.799 -2.155 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.135 -1.081 9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.146 -0.650 12.047 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.836 -1.014 11.625 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.966 -2.045 12.787 1.00 0.00 H new ATOM 740 N GLY A 45 -9.299 -5.068 12.912 1.00 0.00 N ATOM 741 CA GLY A 45 -10.627 -5.583 13.191 1.00 0.00 C ATOM 742 C GLY A 45 -11.630 -4.481 13.476 1.00 0.00 C ATOM 743 O GLY A 45 -12.655 -4.377 12.804 1.00 0.00 O ATOM 0 H GLY A 45 -8.829 -4.642 13.710 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.971 -6.172 12.340 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.579 -6.257 14.047 1.00 0.00 H new ATOM 747 N GLY A 46 -11.333 -3.658 14.477 1.00 0.00 N ATOM 748 CA GLY A 46 -12.225 -2.570 14.831 1.00 0.00 C ATOM 749 C GLY A 46 -11.534 -1.493 15.642 1.00 0.00 C ATOM 750 O GLY A 46 -10.750 -1.791 16.542 1.00 0.00 O ATOM 0 H GLY A 46 -10.491 -3.725 15.049 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.634 -2.129 13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.067 -2.965 15.400 1.00 0.00 H new ATOM 754 N GLY A 47 -11.824 -0.236 15.321 1.00 0.00 N ATOM 755 CA GLY A 47 -11.215 0.870 16.035 1.00 0.00 C ATOM 756 C GLY A 47 -10.863 2.028 15.121 1.00 0.00 C ATOM 757 O GLY A 47 -11.473 2.201 14.066 1.00 0.00 O ATOM 0 H GLY A 47 -12.470 0.036 14.580 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.898 1.218 16.810 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.313 0.521 16.538 1.00 0.00 H new ATOM 761 N GLY A 48 -9.876 2.821 15.526 1.00 0.00 N ATOM 762 CA GLY A 48 -9.461 3.958 14.723 1.00 0.00 C ATOM 763 C GLY A 48 -8.041 3.818 14.211 1.00 0.00 C ATOM 764 O GLY A 48 -7.334 4.811 14.042 1.00 0.00 O ATOM 0 H GLY A 48 -9.356 2.697 16.395 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.140 4.069 13.877 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.542 4.868 15.318 1.00 0.00 H new ATOM 768 N GLU A 49 -7.624 2.581 13.962 1.00 0.00 N ATOM 769 CA GLU A 49 -6.279 2.313 13.466 1.00 0.00 C ATOM 770 C GLU A 49 -6.271 2.168 11.945 1.00 0.00 C ATOM 771 O GLU A 49 -5.231 2.320 11.305 1.00 0.00 O ATOM 772 CB GLU A 49 -5.717 1.046 14.114 1.00 0.00 C ATOM 773 CG GLU A 49 -4.311 0.698 13.652 1.00 0.00 C ATOM 774 CD GLU A 49 -3.542 -0.107 14.681 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.144 -1.007 15.303 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.336 0.163 14.865 1.00 0.00 O ATOM 0 H GLU A 49 -8.198 1.748 14.096 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.648 3.161 13.732 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.714 1.173 15.197 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.380 0.210 13.893 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.368 0.132 12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.766 1.617 13.434 1.00 0.00 H new ATOM 783 N VAL A 50 -7.435 1.870 11.372 1.00 0.00 N ATOM 784 CA VAL A 50 -7.556 1.704 9.929 1.00 0.00 C ATOM 785 C VAL A 50 -7.019 2.921 9.182 1.00 0.00 C ATOM 786 O VAL A 50 -6.525 2.805 8.061 1.00 0.00 O ATOM 787 CB VAL A 50 -9.019 1.464 9.510 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.524 0.141 10.064 1.00 0.00 C ATOM 789 CG2 VAL A 50 -9.902 2.614 9.970 1.00 0.00 C ATOM 0 H VAL A 50 -8.306 1.739 11.886 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.961 0.830 9.665 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.062 1.416 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.559 -0.011 9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.909 -0.673 9.680 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.467 0.157 11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.932 2.427 9.665 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.855 2.697 11.056 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.553 3.543 9.519 1.00 0.00 H new ATOM 799 N LYS A 51 -7.118 4.088 9.811 1.00 0.00 N ATOM 800 CA LYS A 51 -6.641 5.326 9.207 1.00 0.00 C ATOM 801 C LYS A 51 -5.119 5.324 9.088 1.00 0.00 C ATOM 802 O LYS A 51 -4.556 5.968 8.203 1.00 0.00 O ATOM 803 CB LYS A 51 -7.096 6.530 10.033 1.00 0.00 C ATOM 804 CG LYS A 51 -8.499 7.005 9.693 1.00 0.00 C ATOM 805 CD LYS A 51 -9.558 6.067 10.253 1.00 0.00 C ATOM 806 CE LYS A 51 -10.613 6.824 11.044 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.065 8.053 10.335 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.525 4.202 10.739 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.066 5.398 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.056 6.271 11.091 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.396 7.351 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.651 8.007 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.608 7.074 8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.034 5.525 9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.084 5.324 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.469 6.173 11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.210 7.096 12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.059 8.245 10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.477 8.859 10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.975 7.914 9.308 1.00 0.00 H new ATOM 821 N LYS A 52 -4.460 4.597 9.985 1.00 0.00 N ATOM 822 CA LYS A 52 -3.004 4.511 9.983 1.00 0.00 C ATOM 823 C LYS A 52 -2.499 3.776 8.746 1.00 0.00 C ATOM 824 O LYS A 52 -1.429 4.086 8.224 1.00 0.00 O ATOM 825 CB LYS A 52 -2.514 3.801 11.247 1.00 0.00 C ATOM 826 CG LYS A 52 -3.070 4.391 12.532 1.00 0.00 C ATOM 827 CD LYS A 52 -2.539 5.795 12.775 1.00 0.00 C ATOM 828 CE LYS A 52 -2.481 6.118 14.260 1.00 0.00 C ATOM 829 NZ LYS A 52 -1.506 5.252 14.978 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.912 4.058 10.724 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.607 5.526 9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.790 2.748 11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.425 3.844 11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.159 4.416 12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.805 3.750 13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.543 5.889 12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.177 6.519 12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.205 7.164 14.394 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.471 5.991 14.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.164 5.745 15.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.970 4.364 15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.702 5.041 14.352 1.00 0.00 H new ATOM 843 N VAL A 53 -3.272 2.797 8.289 1.00 0.00 N ATOM 844 CA VAL A 53 -2.904 2.008 7.118 1.00 0.00 C ATOM 845 C VAL A 53 -3.079 2.804 5.826 1.00 0.00 C ATOM 846 O VAL A 53 -2.271 2.689 4.909 1.00 0.00 O ATOM 847 CB VAL A 53 -3.739 0.713 7.032 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.357 -0.100 5.801 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.568 -0.112 8.299 1.00 0.00 C ATOM 0 H VAL A 53 -4.160 2.530 8.713 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.851 1.750 7.233 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.790 0.988 6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.959 -1.008 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.536 0.492 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.302 -0.367 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.163 -1.022 8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.517 -0.374 8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.901 0.469 9.159 1.00 0.00 H new ATOM 859 N GLU A 54 -4.142 3.599 5.753 1.00 0.00 N ATOM 860 CA GLU A 54 -4.416 4.400 4.562 1.00 0.00 C ATOM 861 C GLU A 54 -3.269 5.364 4.267 1.00 0.00 C ATOM 862 O GLU A 54 -2.894 5.564 3.114 1.00 0.00 O ATOM 863 CB GLU A 54 -5.719 5.181 4.737 1.00 0.00 C ATOM 864 CG GLU A 54 -6.930 4.297 4.988 1.00 0.00 C ATOM 865 CD GLU A 54 -8.029 5.015 5.746 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.247 6.216 5.480 1.00 0.00 O1- ATOM 867 OE2 GLU A 54 -8.672 4.376 6.606 1.00 0.00 O ATOM 0 H GLU A 54 -4.827 3.707 6.501 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.515 3.719 3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.608 5.875 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.896 5.780 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.322 3.945 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.622 3.416 5.551 1.00 0.00 H new ATOM 874 N GLU A 55 -2.720 5.961 5.319 1.00 0.00 N ATOM 875 CA GLU A 55 -1.618 6.909 5.181 1.00 0.00 C ATOM 876 C GLU A 55 -0.330 6.204 4.761 1.00 0.00 C ATOM 877 O GLU A 55 0.473 6.752 4.007 1.00 0.00 O ATOM 878 CB GLU A 55 -1.396 7.655 6.498 1.00 0.00 C ATOM 879 CG GLU A 55 -0.327 8.732 6.413 1.00 0.00 C ATOM 880 CD GLU A 55 1.010 8.271 6.958 1.00 0.00 C ATOM 881 OE1 GLU A 55 1.235 8.413 8.179 1.00 0.00 O ATOM 882 OE2 GLU A 55 1.833 7.767 6.165 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.021 5.805 6.281 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.886 7.623 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.335 8.111 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.117 6.938 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.206 9.037 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.657 9.611 6.967 1.00 0.00 H new ATOM 889 N GLU A 56 -0.135 4.996 5.275 1.00 0.00 N ATOM 890 CA GLU A 56 1.061 4.213 4.983 1.00 0.00 C ATOM 891 C GLU A 56 1.224 3.956 3.487 1.00 0.00 C ATOM 892 O GLU A 56 2.339 3.982 2.966 1.00 0.00 O ATOM 893 CB GLU A 56 1.001 2.881 5.733 1.00 0.00 C ATOM 894 CG GLU A 56 1.523 2.960 7.157 1.00 0.00 C ATOM 895 CD GLU A 56 2.973 2.530 7.271 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.775 2.907 6.391 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 3.306 1.818 8.241 1.00 0.00 O ATOM 0 H GLU A 56 -0.795 4.534 5.901 1.00 0.00 H new ATOM 0 HA GLU A 56 1.924 4.790 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.031 2.531 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.579 2.138 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.421 3.982 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.909 2.330 7.801 1.00 0.00 H new ATOM 904 N VAL A 57 0.118 3.704 2.800 1.00 0.00 N ATOM 905 CA VAL A 57 0.158 3.441 1.367 1.00 0.00 C ATOM 906 C VAL A 57 0.461 4.712 0.577 1.00 0.00 C ATOM 907 O VAL A 57 1.146 4.669 -0.443 1.00 0.00 O ATOM 908 CB VAL A 57 -1.158 2.805 0.860 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.232 3.857 0.617 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.897 1.995 -0.403 1.00 0.00 C ATOM 0 H VAL A 57 -0.816 3.676 3.210 1.00 0.00 H new ATOM 0 HA VAL A 57 0.965 2.727 1.203 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.530 2.136 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.142 3.373 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.441 4.385 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.883 4.567 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.830 1.552 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.495 2.648 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.179 1.204 -0.186 1.00 0.00 H new ATOM 920 N LYS A 58 -0.057 5.841 1.056 1.00 0.00 N ATOM 921 CA LYS A 58 0.157 7.124 0.393 1.00 0.00 C ATOM 922 C LYS A 58 1.647 7.398 0.205 1.00 0.00 C ATOM 923 O LYS A 58 2.055 8.010 -0.778 1.00 0.00 O ATOM 924 CB LYS A 58 -0.487 8.252 1.203 1.00 0.00 C ATOM 925 CG LYS A 58 -1.742 8.823 0.560 1.00 0.00 C ATOM 926 CD LYS A 58 -1.402 9.762 -0.586 1.00 0.00 C ATOM 927 CE LYS A 58 -2.386 9.616 -1.736 1.00 0.00 C ATOM 928 NZ LYS A 58 -3.401 10.705 -1.738 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.627 5.893 1.900 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.310 7.081 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.735 7.879 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.240 9.053 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.366 8.009 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.325 9.358 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.409 10.792 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.393 9.554 -0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.844 9.623 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.888 8.651 -1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.053 10.570 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.936 10.683 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.924 11.624 -1.832 1.00 0.00 H new ATOM 942 N LYS A 59 2.451 6.944 1.158 1.00 0.00 N ATOM 943 CA LYS A 59 3.895 7.134 1.098 1.00 0.00 C ATOM 944 C LYS A 59 4.513 6.315 -0.035 1.00 0.00 C ATOM 945 O LYS A 59 5.456 6.757 -0.692 1.00 0.00 O ATOM 946 CB LYS A 59 4.536 6.748 2.432 1.00 0.00 C ATOM 947 CG LYS A 59 3.929 7.463 3.628 1.00 0.00 C ATOM 948 CD LYS A 59 4.500 6.944 4.938 1.00 0.00 C ATOM 949 CE LYS A 59 4.724 8.070 5.934 1.00 0.00 C ATOM 950 NZ LYS A 59 4.940 7.557 7.316 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.127 6.440 1.984 1.00 0.00 H new ATOM 0 HA LYS A 59 4.087 8.189 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.438 5.672 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.603 6.968 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.117 8.534 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.847 7.328 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.819 6.208 5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.444 6.433 4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.588 8.659 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.863 8.738 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.089 8.357 7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.105 7.016 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.777 6.940 7.330 1.00 0.00 H new ATOM 964 N LEU A 60 3.989 5.110 -0.240 1.00 0.00 N ATOM 965 CA LEU A 60 4.492 4.207 -1.273 1.00 0.00 C ATOM 966 C LEU A 60 4.410 4.822 -2.671 1.00 0.00 C ATOM 967 O LEU A 60 5.359 4.735 -3.450 1.00 0.00 O ATOM 968 CB LEU A 60 3.700 2.897 -1.236 1.00 0.00 C ATOM 969 CG LEU A 60 4.524 1.624 -1.428 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.034 1.526 -2.857 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.681 1.584 -0.442 1.00 0.00 C ATOM 0 H LEU A 60 3.210 4.733 0.300 1.00 0.00 H new ATOM 0 HA LEU A 60 5.545 4.018 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.182 2.833 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.934 2.934 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 60 3.880 0.766 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.618 0.613 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.188 1.506 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.662 2.389 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.257 0.671 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.325 2.449 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.292 1.603 0.576 1.00 0.00 H new ATOM 983 N GLU A 61 3.276 5.436 -2.987 1.00 0.00 N ATOM 984 CA GLU A 61 3.084 6.052 -4.299 1.00 0.00 C ATOM 985 C GLU A 61 3.968 7.284 -4.464 1.00 0.00 C ATOM 986 O GLU A 61 4.436 7.580 -5.563 1.00 0.00 O ATOM 987 CB GLU A 61 1.612 6.422 -4.518 1.00 0.00 C ATOM 988 CG GLU A 61 1.030 7.314 -3.435 1.00 0.00 C ATOM 989 CD GLU A 61 1.465 8.761 -3.571 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.963 9.133 -4.655 1.00 0.00 O ATOM 991 OE2 GLU A 61 1.306 9.523 -2.594 1.00 0.00 O1- ATOM 0 H GLU A 61 2.478 5.522 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 61 3.374 5.320 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.514 6.925 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.023 5.507 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.058 7.261 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.334 6.938 -2.458 1.00 0.00 H new ATOM 998 N GLU A 62 4.191 7.999 -3.366 1.00 0.00 N ATOM 999 CA GLU A 62 5.018 9.202 -3.388 1.00 0.00 C ATOM 1000 C GLU A 62 6.407 8.895 -3.934 1.00 0.00 C ATOM 1001 O GLU A 62 6.973 9.675 -4.699 1.00 0.00 O ATOM 1002 CB GLU A 62 5.127 9.797 -1.982 1.00 0.00 C ATOM 1003 CG GLU A 62 4.148 10.931 -1.726 1.00 0.00 C ATOM 1004 CD GLU A 62 4.313 12.076 -2.705 1.00 0.00 C ATOM 1005 OE1 GLU A 62 3.727 12.006 -3.805 1.00 0.00 O ATOM 1006 OE2 GLU A 62 5.030 13.044 -2.371 1.00 0.00 O1- ATOM 0 H GLU A 62 3.811 7.767 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 62 4.542 9.930 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.958 9.009 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.142 10.163 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.130 10.548 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.286 11.303 -0.711 1.00 0.00 H new ATOM 1013 N GLU A 63 6.948 7.746 -3.544 1.00 0.00 N ATOM 1014 CA GLU A 63 8.265 7.327 -4.002 1.00 0.00 C ATOM 1015 C GLU A 63 8.235 7.060 -5.501 1.00 0.00 C ATOM 1016 O GLU A 63 9.220 7.282 -6.205 1.00 0.00 O ATOM 1017 CB GLU A 63 8.719 6.070 -3.258 1.00 0.00 C ATOM 1018 CG GLU A 63 8.547 6.157 -1.749 1.00 0.00 C ATOM 1019 CD GLU A 63 9.516 7.131 -1.107 1.00 0.00 C ATOM 1020 OE1 GLU A 63 9.604 8.282 -1.583 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 10.187 6.742 -0.128 1.00 0.00 O ATOM 0 H GLU A 63 6.493 7.088 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 63 8.974 8.129 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.155 5.215 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.769 5.883 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.526 6.462 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.689 5.168 -1.313 1.00 0.00 H new ATOM 1028 N ILE A 64 7.092 6.581 -5.979 1.00 0.00 N ATOM 1029 CA ILE A 64 6.919 6.281 -7.396 1.00 0.00 C ATOM 1030 C ILE A 64 7.079 7.536 -8.249 1.00 0.00 C ATOM 1031 O ILE A 64 7.555 7.472 -9.382 1.00 0.00 O ATOM 1032 CB ILE A 64 5.539 5.652 -7.675 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.306 4.450 -6.758 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.428 5.238 -9.135 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.953 3.800 -6.944 1.00 0.00 C ATOM 0 H ILE A 64 6.270 6.392 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 64 7.695 5.564 -7.664 1.00 0.00 H new ATOM 0 HB ILE A 64 4.771 6.398 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.084 3.709 -6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.407 4.770 -5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.448 4.796 -9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.553 6.114 -9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.203 4.507 -9.366 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.858 2.955 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.168 4.527 -6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.856 3.449 -7.971 1.00 0.00 H new ATOM 1047 N LYS A 65 6.674 8.678 -7.702 1.00 0.00 N ATOM 1048 CA LYS A 65 6.773 9.944 -8.418 1.00 0.00 C ATOM 1049 C LYS A 65 8.223 10.408 -8.503 1.00 0.00 C ATOM 1050 O LYS A 65 8.661 10.922 -9.533 1.00 0.00 O ATOM 1051 CB LYS A 65 5.924 11.013 -7.727 1.00 0.00 C ATOM 1052 CG LYS A 65 4.435 10.710 -7.740 1.00 0.00 C ATOM 1053 CD LYS A 65 3.922 10.494 -9.155 1.00 0.00 C ATOM 1054 CE LYS A 65 2.404 10.552 -9.213 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.915 11.882 -9.667 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.275 8.752 -6.766 1.00 0.00 H new ATOM 0 HA LYS A 65 6.399 9.790 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.256 11.117 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.095 11.972 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.238 9.821 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.891 11.533 -7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.341 11.253 -9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.264 9.527 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.037 9.780 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.995 10.332 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.875 11.879 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.243 12.616 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.284 12.081 -10.619 1.00 0.00 H new ATOM 1069 N LYS A 66 8.963 10.222 -7.415 1.00 0.00 N ATOM 1070 CA LYS A 66 10.364 10.621 -7.366 1.00 0.00 C ATOM 1071 C LYS A 66 11.189 9.857 -8.399 1.00 0.00 C ATOM 1072 O LYS A 66 12.228 10.335 -8.852 1.00 0.00 O ATOM 1073 CB LYS A 66 10.935 10.382 -5.967 1.00 0.00 C ATOM 1074 CG LYS A 66 10.364 11.317 -4.911 1.00 0.00 C ATOM 1075 CD LYS A 66 11.459 11.915 -4.040 1.00 0.00 C ATOM 1076 CE LYS A 66 11.251 13.406 -3.829 1.00 0.00 C ATOM 1077 NZ LYS A 66 9.947 13.699 -3.172 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.615 9.797 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 66 10.418 11.684 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.737 9.351 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.018 10.502 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.807 12.118 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.658 10.772 -4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.475 11.409 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.430 11.744 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.062 13.802 -3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.296 13.918 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.909 14.704 -2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.171 13.484 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.849 13.114 -2.318 1.00 0.00 H new ATOM 1091 N LEU A 67 10.721 8.668 -8.765 1.00 0.00 N ATOM 1092 CA LEU A 67 11.419 7.842 -9.742 1.00 0.00 C ATOM 1093 C LEU A 67 10.770 7.959 -11.118 1.00 0.00 C ATOM 1094 O LEU A 67 11.467 7.708 -12.125 1.00 0.00 O ATOM 1095 CB LEU A 67 11.443 6.379 -9.277 1.00 0.00 C ATOM 1096 CG LEU A 67 10.197 5.553 -9.614 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.255 5.053 -11.050 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.052 4.386 -8.646 1.00 0.00 C ATOM 1099 OXT LEU A 67 9.570 8.298 -11.179 1.00 0.00 O ATOM 0 H LEU A 67 9.862 8.256 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 67 12.445 8.199 -9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.311 5.891 -9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.585 6.363 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 67 9.323 6.196 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.361 4.469 -11.268 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.308 5.904 -11.730 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.138 4.428 -11.182 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.162 3.811 -8.900 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.931 3.745 -8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.960 4.766 -7.629 1.00 0.00 H new TER 1111 LEU A 67