USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 581 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -62:sc= 0.0815 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= 0.964 (180deg=0.799) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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+ 171:sc= 0.0598 (180deg=0.0473) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -139:sc= 0.584 (180deg=0.0802) 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 -4.771 -13.669 -6.982 1.00 0.00 N ATOM 2 CA GLY A 1 -6.031 -14.329 -6.687 1.00 0.00 C ATOM 3 C GLY A 1 -7.115 -13.308 -6.334 1.00 0.00 C ATOM 4 O GLY A 1 -7.784 -12.776 -7.220 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.052 -14.383 -7.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.897 -13.024 -7.788 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.460 -13.127 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.348 -14.918 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.897 -15.023 -5.858 1.00 0.00 H new ATOM 8 N SER A 2 -7.256 -13.065 -5.040 1.00 0.00 N ATOM 9 CA SER A 2 -8.246 -12.117 -4.559 1.00 0.00 C ATOM 10 C SER A 2 -7.691 -11.339 -3.366 1.00 0.00 C ATOM 11 O SER A 2 -8.283 -11.341 -2.288 1.00 0.00 O ATOM 12 CB SER A 2 -9.545 -12.828 -4.170 1.00 0.00 C ATOM 13 OG SER A 2 -10.600 -11.906 -3.909 1.00 0.00 O ATOM 0 H SER A 2 -6.700 -13.509 -4.309 1.00 0.00 H new ATOM 0 HA SER A 2 -8.471 -11.420 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.843 -13.503 -4.972 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.372 -13.441 -3.286 1.00 0.00 H new ATOM 0 HG SER A 2 -10.357 -11.338 -3.148 1.00 0.00 H new ATOM 19 N ARG A 3 -6.558 -10.690 -3.599 1.00 0.00 N ATOM 20 CA ARG A 3 -5.916 -9.908 -2.556 1.00 0.00 C ATOM 21 C ARG A 3 -5.139 -8.741 -3.169 1.00 0.00 C ATOM 22 O ARG A 3 -5.531 -7.584 -3.019 1.00 0.00 O ATOM 23 CB ARG A 3 -4.958 -10.771 -1.732 1.00 0.00 C ATOM 24 CG ARG A 3 -5.382 -12.241 -1.759 1.00 0.00 C ATOM 25 CD ARG A 3 -4.596 -13.058 -0.732 1.00 0.00 C ATOM 26 NE ARG A 3 -4.366 -14.427 -1.244 1.00 0.00 N ATOM 27 CZ ARG A 3 -5.301 -15.387 -1.269 1.00 0.00 C ATOM 28 NH1 ARG A 3 -6.534 -15.133 -0.810 1.00 0.00 N ATOM 29 NH2 ARG A 3 -5.002 -16.600 -1.751 1.00 0.00 N ATOM 0 H ARG A 3 -6.069 -10.690 -4.494 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.698 -9.524 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.946 -10.674 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.936 -10.414 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.449 -12.319 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.221 -12.651 -2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.642 -12.574 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.145 -13.100 0.209 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.438 -14.654 -1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.761 -14.209 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.246 -15.863 -0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.063 -16.793 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.713 -17.331 -1.770 1.00 0.00 H new ATOM 43 N VAL A 4 -4.054 -9.085 -3.848 1.00 0.00 N ATOM 44 CA VAL A 4 -3.221 -8.080 -4.485 1.00 0.00 C ATOM 45 C VAL A 4 -4.081 -7.228 -5.421 1.00 0.00 C ATOM 46 O VAL A 4 -3.910 -6.012 -5.493 1.00 0.00 O ATOM 47 CB VAL A 4 -2.045 -8.750 -5.199 1.00 0.00 C ATOM 48 CG1 VAL A 4 -2.484 -10.051 -5.874 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.401 -7.799 -6.208 1.00 0.00 C ATOM 0 H VAL A 4 -3.733 -10.045 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.793 -7.411 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.295 -8.998 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.630 -10.508 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.874 -10.737 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.262 -9.836 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.568 -8.301 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.140 -7.505 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.035 -6.912 -5.690 1.00 0.00 H new ATOM 59 N LYS A 5 -4.988 -7.901 -6.115 1.00 0.00 N ATOM 60 CA LYS A 5 -5.874 -7.222 -7.043 1.00 0.00 C ATOM 61 C LYS A 5 -6.698 -6.178 -6.285 1.00 0.00 C ATOM 62 O LYS A 5 -6.687 -4.999 -6.634 1.00 0.00 O ATOM 63 CB LYS A 5 -6.724 -8.235 -7.813 1.00 0.00 C ATOM 64 CG LYS A 5 -7.753 -7.528 -8.698 1.00 0.00 C ATOM 65 CD LYS A 5 -7.259 -7.432 -10.142 1.00 0.00 C ATOM 66 CE LYS A 5 -8.427 -7.234 -11.110 1.00 0.00 C ATOM 67 NZ LYS A 5 -8.252 -8.079 -12.313 1.00 0.00 N ATOM 0 H LYS A 5 -5.127 -8.909 -6.052 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.297 -6.687 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.079 -8.862 -8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.235 -8.895 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.698 -8.071 -8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.947 -6.528 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.559 -6.601 -10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.714 -8.339 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.365 -7.486 -10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.492 -6.186 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.053 -7.933 -12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.367 -7.819 -12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.212 -9.079 -12.032 1.00 0.00 H new ATOM 81 N ALA A 6 -7.394 -6.651 -5.261 1.00 0.00 N ATOM 82 CA ALA A 6 -8.221 -5.775 -4.449 1.00 0.00 C ATOM 83 C ALA A 6 -7.335 -4.733 -3.764 1.00 0.00 C ATOM 84 O ALA A 6 -7.833 -3.748 -3.221 1.00 0.00 O ATOM 85 CB ALA A 6 -9.021 -6.609 -3.448 1.00 0.00 C ATOM 0 H ALA A 6 -7.402 -7.630 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.937 -5.240 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.641 -5.951 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.657 -7.312 -3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.336 -7.160 -2.804 1.00 0.00 H new ATOM 91 N LEU A 7 -6.034 -4.987 -3.811 1.00 0.00 N ATOM 92 CA LEU A 7 -5.073 -4.084 -3.201 1.00 0.00 C ATOM 93 C LEU A 7 -4.723 -2.973 -4.193 1.00 0.00 C ATOM 94 O LEU A 7 -4.935 -1.794 -3.912 1.00 0.00 O ATOM 95 CB LEU A 7 -3.857 -4.859 -2.692 1.00 0.00 C ATOM 96 CG LEU A 7 -3.743 -5.006 -1.174 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.854 -3.646 -0.481 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.771 -6.007 -0.641 1.00 0.00 C ATOM 0 H LEU A 7 -5.624 -5.805 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.506 -3.604 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.875 -5.856 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.957 -4.365 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.755 -5.405 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.770 -3.779 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.053 -2.994 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.818 -3.195 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.668 -6.093 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.776 -5.661 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.602 -6.981 -1.100 1.00 0.00 H new ATOM 110 N GLU A 8 -4.194 -3.387 -5.334 1.00 0.00 N ATOM 111 CA GLU A 8 -3.813 -2.442 -6.371 1.00 0.00 C ATOM 112 C GLU A 8 -4.806 -1.280 -6.421 1.00 0.00 C ATOM 113 O GLU A 8 -4.425 -0.145 -6.703 1.00 0.00 O ATOM 114 CB GLU A 8 -3.707 -3.133 -7.732 1.00 0.00 C ATOM 115 CG GLU A 8 -3.019 -2.228 -8.754 1.00 0.00 C ATOM 116 CD GLU A 8 -3.977 -1.847 -9.884 1.00 0.00 C ATOM 117 OE1 GLU A 8 -4.657 -2.769 -10.385 1.00 0.00 O ATOM 118 OE2 GLU A 8 -4.009 -0.644 -10.221 1.00 0.00 O ATOM 0 H GLU A 8 -4.020 -4.365 -5.564 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.829 -2.042 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.147 -4.063 -7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.703 -3.398 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.657 -1.326 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.148 -2.737 -9.167 1.00 0.00 H new ATOM 125 N GLU A 9 -6.060 -1.603 -6.141 1.00 0.00 N ATOM 126 CA GLU A 9 -7.111 -0.599 -6.150 1.00 0.00 C ATOM 127 C GLU A 9 -6.723 0.583 -5.261 1.00 0.00 C ATOM 128 O GLU A 9 -6.693 1.725 -5.719 1.00 0.00 O ATOM 129 CB GLU A 9 -8.447 -1.201 -5.711 1.00 0.00 C ATOM 130 CG GLU A 9 -9.517 -1.005 -6.787 1.00 0.00 C ATOM 131 CD GLU A 9 -10.911 -1.316 -6.236 1.00 0.00 C ATOM 132 OE1 GLU A 9 -11.110 -1.074 -5.026 1.00 0.00 O ATOM 133 OE2 GLU A 9 -11.745 -1.787 -7.039 1.00 0.00 O ATOM 0 H GLU A 9 -6.372 -2.545 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.232 -0.236 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.321 -2.264 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.772 -0.735 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.487 0.022 -7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.305 -1.653 -7.638 1.00 0.00 H new ATOM 140 N LYS A 10 -6.437 0.271 -4.005 1.00 0.00 N ATOM 141 CA LYS A 10 -6.053 1.294 -3.049 1.00 0.00 C ATOM 142 C LYS A 10 -4.628 1.762 -3.353 1.00 0.00 C ATOM 143 O LYS A 10 -4.394 2.951 -3.564 1.00 0.00 O ATOM 144 CB LYS A 10 -6.240 0.786 -1.617 1.00 0.00 C ATOM 145 CG LYS A 10 -6.576 1.937 -0.667 1.00 0.00 C ATOM 146 CD LYS A 10 -8.048 2.335 -0.786 1.00 0.00 C ATOM 147 CE LYS A 10 -8.756 2.231 0.566 1.00 0.00 C ATOM 148 NZ LYS A 10 -9.727 1.115 0.557 1.00 0.00 N ATOM 0 H LYS A 10 -6.464 -0.676 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.702 2.165 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.038 0.044 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.330 0.287 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.357 1.642 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.944 2.796 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.123 3.355 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.545 1.691 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.022 2.076 1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.270 3.166 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.199 1.058 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.437 1.279 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.228 0.222 0.367 1.00 0.00 H new ATOM 162 N VAL A 11 -3.715 0.803 -3.367 1.00 0.00 N ATOM 163 CA VAL A 11 -2.320 1.103 -3.643 1.00 0.00 C ATOM 164 C VAL A 11 -2.234 2.070 -4.825 1.00 0.00 C ATOM 165 O VAL A 11 -1.556 3.093 -4.746 1.00 0.00 O ATOM 166 CB VAL A 11 -1.541 -0.194 -3.875 1.00 0.00 C ATOM 167 CG1 VAL A 11 -0.074 0.096 -4.193 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.667 -1.130 -2.671 1.00 0.00 C ATOM 0 H VAL A 11 -3.913 -0.182 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.860 1.595 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.976 -0.697 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.456 -0.843 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.011 0.707 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.380 0.631 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.105 -2.044 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.270 -0.637 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.717 -1.376 -2.510 1.00 0.00 H new ATOM 178 N LYS A 12 -2.932 1.712 -5.893 1.00 0.00 N ATOM 179 CA LYS A 12 -2.943 2.536 -7.089 1.00 0.00 C ATOM 180 C LYS A 12 -3.272 3.981 -6.706 1.00 0.00 C ATOM 181 O LYS A 12 -2.561 4.906 -7.093 1.00 0.00 O ATOM 182 CB LYS A 12 -3.891 1.947 -8.137 1.00 0.00 C ATOM 183 CG LYS A 12 -4.043 2.891 -9.332 1.00 0.00 C ATOM 184 CD LYS A 12 -3.348 2.321 -10.571 1.00 0.00 C ATOM 185 CE LYS A 12 -2.334 3.317 -11.136 1.00 0.00 C ATOM 186 NZ LYS A 12 -1.273 2.608 -11.885 1.00 0.00 N ATOM 0 H LYS A 12 -3.494 0.863 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.957 2.546 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.510 0.984 -8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.867 1.764 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.101 3.049 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.618 3.865 -9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.844 1.389 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.091 2.082 -11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.839 4.026 -11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.891 3.894 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.593 3.299 -12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.780 1.949 -11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.699 2.077 -12.671 1.00 0.00 H new ATOM 200 N ALA A 13 -4.349 4.128 -5.950 1.00 0.00 N ATOM 201 CA ALA A 13 -4.781 5.444 -5.510 1.00 0.00 C ATOM 202 C ALA A 13 -3.676 6.082 -4.665 1.00 0.00 C ATOM 203 O ALA A 13 -3.351 7.255 -4.845 1.00 0.00 O ATOM 204 CB ALA A 13 -6.101 5.320 -4.746 1.00 0.00 C ATOM 0 H ALA A 13 -4.936 3.358 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.960 6.095 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.425 6.307 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.860 4.889 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.960 4.676 -3.878 1.00 0.00 H new ATOM 210 N LEU A 14 -3.130 5.282 -3.762 1.00 0.00 N ATOM 211 CA LEU A 14 -2.067 5.753 -2.889 1.00 0.00 C ATOM 212 C LEU A 14 -0.979 6.420 -3.731 1.00 0.00 C ATOM 213 O LEU A 14 -0.411 7.434 -3.329 1.00 0.00 O ATOM 214 CB LEU A 14 -1.552 4.613 -2.008 1.00 0.00 C ATOM 215 CG LEU A 14 -2.523 4.096 -0.945 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.771 3.405 0.195 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.429 5.218 -0.436 1.00 0.00 C ATOM 0 H LEU A 14 -3.403 4.310 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.446 6.509 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.273 3.780 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.643 4.948 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.167 3.348 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.485 3.047 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.205 2.562 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.087 4.114 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.109 4.823 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.819 6.007 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.006 5.625 -1.267 1.00 0.00 H new ATOM 229 N GLU A 15 -0.720 5.823 -4.886 1.00 0.00 N ATOM 230 CA GLU A 15 0.291 6.346 -5.789 1.00 0.00 C ATOM 231 C GLU A 15 -0.079 7.762 -6.236 1.00 0.00 C ATOM 232 O GLU A 15 0.738 8.677 -6.150 1.00 0.00 O ATOM 233 CB GLU A 15 0.481 5.423 -6.993 1.00 0.00 C ATOM 234 CG GLU A 15 1.785 5.742 -7.728 1.00 0.00 C ATOM 235 CD GLU A 15 1.988 4.802 -8.919 1.00 0.00 C ATOM 236 OE1 GLU A 15 0.992 4.582 -9.643 1.00 0.00 O ATOM 237 OE2 GLU A 15 3.132 4.328 -9.078 1.00 0.00 O ATOM 0 H GLU A 15 -1.193 4.982 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 15 1.240 6.391 -5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.491 4.385 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.362 5.532 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.768 6.775 -8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.626 5.650 -7.040 1.00 0.00 H new ATOM 244 N GLU A 16 -1.311 7.897 -6.705 1.00 0.00 N ATOM 245 CA GLU A 16 -1.798 9.186 -7.166 1.00 0.00 C ATOM 246 C GLU A 16 -1.966 10.144 -5.986 1.00 0.00 C ATOM 247 O GLU A 16 -1.659 11.330 -6.095 1.00 0.00 O ATOM 248 CB GLU A 16 -3.112 9.031 -7.936 1.00 0.00 C ATOM 249 CG GLU A 16 -3.117 9.904 -9.193 1.00 0.00 C ATOM 250 CD GLU A 16 -3.111 11.390 -8.828 1.00 0.00 C ATOM 251 OE1 GLU A 16 -3.868 11.749 -7.900 1.00 0.00 O ATOM 252 OE2 GLU A 16 -2.351 12.133 -9.486 1.00 0.00 O ATOM 0 H GLU A 16 -1.986 7.136 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.060 9.608 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.254 7.987 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.949 9.307 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.245 9.672 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.997 9.677 -9.794 1.00 0.00 H new ATOM 259 N LYS A 17 -2.452 9.594 -4.882 1.00 0.00 N ATOM 260 CA LYS A 17 -2.664 10.385 -3.682 1.00 0.00 C ATOM 261 C LYS A 17 -1.309 10.787 -3.096 1.00 0.00 C ATOM 262 O LYS A 17 -0.990 11.972 -3.017 1.00 0.00 O ATOM 263 CB LYS A 17 -3.562 9.634 -2.697 1.00 0.00 C ATOM 264 CG LYS A 17 -4.851 10.413 -2.426 1.00 0.00 C ATOM 265 CD LYS A 17 -5.759 9.652 -1.459 1.00 0.00 C ATOM 266 CE LYS A 17 -7.121 9.365 -2.095 1.00 0.00 C ATOM 267 NZ LYS A 17 -8.155 10.261 -1.531 1.00 0.00 N ATOM 0 H LYS A 17 -2.705 8.610 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.194 11.307 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.805 8.650 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.027 9.473 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.608 11.391 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.378 10.588 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.284 8.714 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.895 10.234 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.061 9.503 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.398 8.325 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.073 10.053 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.223 10.110 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.897 11.251 -1.719 1.00 0.00 H new ATOM 281 N VAL A 18 -0.549 9.777 -2.699 1.00 0.00 N ATOM 282 CA VAL A 18 0.764 10.010 -2.123 1.00 0.00 C ATOM 283 C VAL A 18 1.508 11.050 -2.962 1.00 0.00 C ATOM 284 O VAL A 18 2.279 11.847 -2.430 1.00 0.00 O ATOM 285 CB VAL A 18 1.524 8.688 -1.999 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.954 8.920 -1.507 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.782 7.712 -1.083 1.00 0.00 C ATOM 0 H VAL A 18 -0.818 8.795 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 18 0.671 10.412 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 18 1.580 8.241 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.471 7.964 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.482 9.561 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.929 9.401 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.344 6.781 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.680 8.151 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.207 7.509 -1.493 1.00 0.00 H new ATOM 297 N LYS A 19 1.250 11.010 -4.261 1.00 0.00 N ATOM 298 CA LYS A 19 1.885 11.940 -5.180 1.00 0.00 C ATOM 299 C LYS A 19 1.144 13.277 -5.139 1.00 0.00 C ATOM 300 O LYS A 19 1.766 14.337 -5.189 1.00 0.00 O ATOM 301 CB LYS A 19 1.977 11.330 -6.580 1.00 0.00 C ATOM 302 CG LYS A 19 2.784 12.230 -7.518 1.00 0.00 C ATOM 303 CD LYS A 19 1.915 13.359 -8.076 1.00 0.00 C ATOM 304 CE LYS A 19 2.588 14.718 -7.877 1.00 0.00 C ATOM 305 NZ LYS A 19 1.622 15.701 -7.337 1.00 0.00 N ATOM 0 H LYS A 19 0.610 10.348 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 19 2.913 12.136 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.444 10.347 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.975 11.184 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.634 12.652 -6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.188 11.637 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.732 13.192 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.944 13.354 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.432 14.616 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.987 15.075 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.925 16.662 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.679 15.516 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.582 15.616 -6.301 1.00 0.00 H new ATOM 319 N ALA A 20 -0.175 13.185 -5.047 1.00 0.00 N ATOM 320 CA ALA A 20 -1.007 14.374 -4.999 1.00 0.00 C ATOM 321 C ALA A 20 -0.582 15.240 -3.811 1.00 0.00 C ATOM 322 O ALA A 20 -0.742 16.460 -3.840 1.00 0.00 O ATOM 323 CB ALA A 20 -2.479 13.965 -4.924 1.00 0.00 C ATOM 0 H ALA A 20 -0.688 12.304 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.880 14.968 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.103 14.858 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.738 13.376 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.646 13.369 -4.027 1.00 0.00 H new ATOM 329 N LEU A 21 -0.049 14.577 -2.797 1.00 0.00 N ATOM 330 CA LEU A 21 0.400 15.271 -1.602 1.00 0.00 C ATOM 331 C LEU A 21 1.532 16.234 -1.972 1.00 0.00 C ATOM 332 O LEU A 21 2.542 15.821 -2.538 1.00 0.00 O ATOM 333 CB LEU A 21 0.778 14.269 -0.509 1.00 0.00 C ATOM 334 CG LEU A 21 -0.065 12.993 -0.450 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.203 12.219 0.843 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.551 13.309 -0.630 1.00 0.00 C ATOM 0 H LEU A 21 0.082 13.566 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.408 15.872 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.821 13.986 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.710 14.771 0.456 1.00 0.00 H new ATOM 0 HG LEU A 21 0.230 12.350 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.408 11.317 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.257 11.944 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.048 12.844 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.128 12.385 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.879 13.981 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.707 13.786 -1.598 1.00 0.00 H new ATOM 348 N GLY A 22 1.322 17.498 -1.636 1.00 0.00 N ATOM 349 CA GLY A 22 2.312 18.523 -1.925 1.00 0.00 C ATOM 350 C GLY A 22 3.729 17.999 -1.681 1.00 0.00 C ATOM 351 O GLY A 22 4.681 18.457 -2.312 1.00 0.00 O ATOM 0 H GLY A 22 0.482 17.836 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.213 18.847 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.130 19.396 -1.299 1.00 0.00 H new ATOM 355 N GLY A 23 3.825 17.049 -0.763 1.00 0.00 N ATOM 356 CA GLY A 23 5.110 16.459 -0.428 1.00 0.00 C ATOM 357 C GLY A 23 6.091 17.526 0.062 1.00 0.00 C ATOM 358 O GLY A 23 5.745 18.703 0.141 1.00 0.00 O ATOM 0 H GLY A 23 3.034 16.673 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.976 15.701 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.522 15.955 -1.302 1.00 0.00 H new ATOM 362 N GLY A 24 7.296 17.075 0.380 1.00 0.00 N ATOM 363 CA GLY A 24 8.330 17.975 0.861 1.00 0.00 C ATOM 364 C GLY A 24 8.719 17.645 2.303 1.00 0.00 C ATOM 365 O GLY A 24 9.170 18.517 3.044 1.00 0.00 O ATOM 0 H GLY A 24 7.579 16.097 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.208 17.902 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.977 19.004 0.803 1.00 0.00 H new ATOM 369 N GLY A 25 8.529 16.382 2.658 1.00 0.00 N ATOM 370 CA GLY A 25 8.854 15.925 3.998 1.00 0.00 C ATOM 371 C GLY A 25 7.590 15.527 4.764 1.00 0.00 C ATOM 372 O GLY A 25 7.161 16.236 5.672 1.00 0.00 O ATOM 0 H GLY A 25 8.154 15.662 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.532 15.074 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.377 16.714 4.538 1.00 0.00 H new ATOM 376 N ARG A 26 7.030 14.393 4.369 1.00 0.00 N ATOM 377 CA ARG A 26 5.825 13.892 5.006 1.00 0.00 C ATOM 378 C ARG A 26 5.339 12.624 4.300 1.00 0.00 C ATOM 379 O ARG A 26 4.805 11.719 4.940 1.00 0.00 O ATOM 380 CB ARG A 26 4.711 14.941 4.980 1.00 0.00 C ATOM 381 CG ARG A 26 4.330 15.371 6.397 1.00 0.00 C ATOM 382 CD ARG A 26 4.021 14.157 7.275 1.00 0.00 C ATOM 383 NE ARG A 26 4.989 14.081 8.393 1.00 0.00 N ATOM 384 CZ ARG A 26 5.052 14.970 9.392 1.00 0.00 C ATOM 385 NH1 ARG A 26 4.205 16.008 9.421 1.00 0.00 N ATOM 386 NH2 ARG A 26 5.963 14.822 10.365 1.00 0.00 N ATOM 0 H ARG A 26 7.389 13.807 3.615 1.00 0.00 H new ATOM 0 HA ARG A 26 6.069 13.663 6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.038 15.809 4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.836 14.535 4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.145 15.945 6.838 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.461 16.028 6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.006 14.230 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.069 13.245 6.679 1.00 0.00 H new ATOM 0 HE ARG A 26 5.649 13.303 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.512 16.121 8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.254 16.685 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.608 14.032 10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.011 15.499 11.126 1.00 0.00 H new ATOM 400 N ILE A 27 5.541 12.600 2.991 1.00 0.00 N ATOM 401 CA ILE A 27 5.131 11.458 2.191 1.00 0.00 C ATOM 402 C ILE A 27 6.289 10.464 2.096 1.00 0.00 C ATOM 403 O ILE A 27 6.075 9.252 2.098 1.00 0.00 O ATOM 404 CB ILE A 27 4.602 11.919 0.831 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.296 13.206 0.381 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.079 12.066 0.857 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.838 13.614 -1.021 1.00 0.00 C ATOM 0 H ILE A 27 5.983 13.353 2.464 1.00 0.00 H new ATOM 0 HA ILE A 27 4.302 10.936 2.669 1.00 0.00 H new ATOM 0 HB ILE A 27 4.838 11.152 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.077 14.007 1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.376 13.062 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.728 12.395 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.625 11.106 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.797 12.803 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.346 14.532 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.080 12.821 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.761 13.781 -1.018 1.00 0.00 H new ATOM 419 N GLU A 28 7.493 11.013 2.015 1.00 0.00 N ATOM 420 CA GLU A 28 8.686 10.189 1.919 1.00 0.00 C ATOM 421 C GLU A 28 8.528 8.926 2.767 1.00 0.00 C ATOM 422 O GLU A 28 8.556 7.814 2.241 1.00 0.00 O ATOM 423 CB GLU A 28 9.930 10.977 2.334 1.00 0.00 C ATOM 424 CG GLU A 28 11.168 10.078 2.348 1.00 0.00 C ATOM 425 CD GLU A 28 12.407 10.859 2.792 1.00 0.00 C ATOM 426 OE1 GLU A 28 12.994 11.536 1.920 1.00 0.00 O ATOM 427 OE2 GLU A 28 12.741 10.760 3.992 1.00 0.00 O ATOM 0 H GLU A 28 7.667 12.018 2.014 1.00 0.00 H new ATOM 0 HA GLU A 28 8.816 9.890 0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.086 11.807 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.778 11.409 3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.003 9.237 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.332 9.663 1.353 1.00 0.00 H new ATOM 434 N GLU A 29 8.367 9.139 4.064 1.00 0.00 N ATOM 435 CA GLU A 29 8.205 8.031 4.990 1.00 0.00 C ATOM 436 C GLU A 29 7.218 7.008 4.426 1.00 0.00 C ATOM 437 O GLU A 29 7.617 5.933 3.982 1.00 0.00 O ATOM 438 CB GLU A 29 7.754 8.527 6.366 1.00 0.00 C ATOM 439 CG GLU A 29 8.258 7.601 7.475 1.00 0.00 C ATOM 440 CD GLU A 29 7.641 7.976 8.824 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.082 9.001 9.385 1.00 0.00 O ATOM 442 OE2 GLU A 29 6.740 7.227 9.263 1.00 0.00 O ATOM 0 H GLU A 29 8.345 10.063 4.496 1.00 0.00 H new ATOM 0 HA GLU A 29 9.172 7.544 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.128 9.537 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.666 8.580 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.010 6.568 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.344 7.661 7.538 1.00 0.00 H new ATOM 449 N LEU A 30 5.945 7.378 4.461 1.00 0.00 N ATOM 450 CA LEU A 30 4.898 6.506 3.959 1.00 0.00 C ATOM 451 C LEU A 30 5.290 5.990 2.573 1.00 0.00 C ATOM 452 O LEU A 30 5.051 4.829 2.248 1.00 0.00 O ATOM 453 CB LEU A 30 3.545 7.220 3.990 1.00 0.00 C ATOM 454 CG LEU A 30 3.420 8.458 3.101 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.403 8.072 1.620 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.199 9.292 3.490 1.00 0.00 C ATOM 0 H LEU A 30 5.616 8.270 4.830 1.00 0.00 H new ATOM 0 HA LEU A 30 4.787 5.634 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.774 6.508 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.335 7.513 5.019 1.00 0.00 H new ATOM 0 HG LEU A 30 4.300 9.082 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.313 8.971 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.328 7.554 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.555 7.415 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.134 10.166 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.297 8.690 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.294 9.615 4.527 1.00 0.00 H new ATOM 468 N LYS A 31 5.886 6.881 1.793 1.00 0.00 N ATOM 469 CA LYS A 31 6.313 6.531 0.449 1.00 0.00 C ATOM 470 C LYS A 31 7.340 5.398 0.524 1.00 0.00 C ATOM 471 O LYS A 31 7.395 4.546 -0.362 1.00 0.00 O ATOM 472 CB LYS A 31 6.818 7.770 -0.293 1.00 0.00 C ATOM 473 CG LYS A 31 5.697 8.415 -1.110 1.00 0.00 C ATOM 474 CD LYS A 31 6.256 9.118 -2.348 1.00 0.00 C ATOM 475 CE LYS A 31 7.485 9.957 -1.994 1.00 0.00 C ATOM 476 NZ LYS A 31 7.960 10.707 -3.179 1.00 0.00 N ATOM 0 H LYS A 31 6.083 7.844 2.066 1.00 0.00 H new ATOM 0 HA LYS A 31 5.470 6.160 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.212 8.491 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.640 7.493 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.979 7.653 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.158 9.133 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.522 8.377 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.489 9.757 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.239 10.652 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.280 9.310 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.795 11.271 -2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.214 10.038 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.206 11.339 -3.515 1.00 0.00 H new ATOM 490 N LYS A 32 8.127 5.426 1.589 1.00 0.00 N ATOM 491 CA LYS A 32 9.148 4.411 1.790 1.00 0.00 C ATOM 492 C LYS A 32 8.478 3.049 1.972 1.00 0.00 C ATOM 493 O LYS A 32 8.753 2.112 1.223 1.00 0.00 O ATOM 494 CB LYS A 32 10.070 4.803 2.947 1.00 0.00 C ATOM 495 CG LYS A 32 10.589 6.233 2.775 1.00 0.00 C ATOM 496 CD LYS A 32 12.112 6.284 2.917 1.00 0.00 C ATOM 497 CE LYS A 32 12.795 6.124 1.557 1.00 0.00 C ATOM 498 NZ LYS A 32 13.202 4.717 1.343 1.00 0.00 N ATOM 0 H LYS A 32 8.079 6.134 2.321 1.00 0.00 H new ATOM 0 HA LYS A 32 9.789 4.335 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.531 4.719 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.911 4.111 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.298 6.614 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.129 6.883 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.407 7.232 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.445 5.494 3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.116 6.437 0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.669 6.774 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.664 4.626 0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.866 4.430 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.362 4.104 1.373 1.00 0.00 H new ATOM 512 N LYS A 33 7.613 2.978 2.974 1.00 0.00 N ATOM 513 CA LYS A 33 6.901 1.745 3.263 1.00 0.00 C ATOM 514 C LYS A 33 6.023 1.375 2.067 1.00 0.00 C ATOM 515 O LYS A 33 5.846 0.196 1.764 1.00 0.00 O ATOM 516 CB LYS A 33 6.130 1.868 4.578 1.00 0.00 C ATOM 517 CG LYS A 33 7.050 2.318 5.715 1.00 0.00 C ATOM 518 CD LYS A 33 6.799 1.498 6.981 1.00 0.00 C ATOM 519 CE LYS A 33 8.105 0.908 7.520 1.00 0.00 C ATOM 520 NZ LYS A 33 7.876 -0.452 8.057 1.00 0.00 N ATOM 0 H LYS A 33 7.389 3.755 3.596 1.00 0.00 H new ATOM 0 HA LYS A 33 7.604 0.924 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.316 2.583 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.678 0.908 4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.091 2.212 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.886 3.375 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.339 2.129 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.095 0.695 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.850 0.871 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.506 1.552 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.772 -0.838 8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.181 -0.408 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.514 -1.067 7.301 1.00 0.00 H new ATOM 534 N TRP A 34 5.496 2.403 1.419 1.00 0.00 N ATOM 535 CA TRP A 34 4.641 2.200 0.263 1.00 0.00 C ATOM 536 C TRP A 34 5.447 1.446 -0.796 1.00 0.00 C ATOM 537 O TRP A 34 4.883 0.708 -1.602 1.00 0.00 O ATOM 538 CB TRP A 34 4.083 3.531 -0.247 1.00 0.00 C ATOM 539 CG TRP A 34 4.059 3.653 -1.772 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.042 4.068 -2.582 1.00 0.00 C ATOM 541 CD2 TRP A 34 2.952 3.336 -2.642 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.652 4.043 -3.906 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.340 3.585 -3.943 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.665 2.857 -2.340 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.501 3.382 -5.046 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.838 2.661 -3.453 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.214 2.906 -4.768 1.00 0.00 C ATOM 0 H TRP A 34 5.645 3.380 1.673 1.00 0.00 H new ATOM 0 HA TRP A 34 3.770 1.601 0.529 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.069 3.658 0.133 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.681 4.345 0.163 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.017 4.383 -2.242 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.221 4.311 -4.709 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.340 2.656 -1.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.829 3.582 -6.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.162 2.294 -3.277 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.516 2.730 -5.573 1.00 0.00 H new ATOM 558 N GLU A 35 6.755 1.657 -0.759 1.00 0.00 N ATOM 559 CA GLU A 35 7.645 1.006 -1.705 1.00 0.00 C ATOM 560 C GLU A 35 7.907 -0.441 -1.278 1.00 0.00 C ATOM 561 O GLU A 35 8.070 -1.321 -2.123 1.00 0.00 O ATOM 562 CB GLU A 35 8.955 1.781 -1.849 1.00 0.00 C ATOM 563 CG GLU A 35 9.176 2.223 -3.297 1.00 0.00 C ATOM 564 CD GLU A 35 10.536 1.749 -3.814 1.00 0.00 C ATOM 565 OE1 GLU A 35 10.619 0.556 -4.181 1.00 0.00 O ATOM 566 OE2 GLU A 35 11.460 2.589 -3.831 1.00 0.00 O ATOM 0 H GLU A 35 7.219 2.270 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 35 7.160 0.994 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.938 2.655 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.788 1.157 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.383 1.822 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.117 3.309 -3.362 1.00 0.00 H new ATOM 573 N GLU A 36 7.940 -0.641 0.031 1.00 0.00 N ATOM 574 CA GLU A 36 8.180 -1.964 0.580 1.00 0.00 C ATOM 575 C GLU A 36 6.867 -2.744 0.678 1.00 0.00 C ATOM 576 O GLU A 36 6.876 -3.968 0.794 1.00 0.00 O ATOM 577 CB GLU A 36 8.868 -1.876 1.943 1.00 0.00 C ATOM 578 CG GLU A 36 9.744 -0.625 2.035 1.00 0.00 C ATOM 579 CD GLU A 36 10.926 -0.852 2.982 1.00 0.00 C ATOM 580 OE1 GLU A 36 10.670 -0.912 4.204 1.00 0.00 O ATOM 581 OE2 GLU A 36 12.057 -0.959 2.461 1.00 0.00 O ATOM 0 H GLU A 36 7.804 0.092 0.728 1.00 0.00 H new ATOM 0 HA GLU A 36 8.849 -2.499 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.117 -1.857 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.478 -2.764 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.113 -0.361 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.147 0.216 2.387 1.00 0.00 H new ATOM 588 N LEU A 37 5.770 -2.003 0.627 1.00 0.00 N ATOM 589 CA LEU A 37 4.453 -2.609 0.708 1.00 0.00 C ATOM 590 C LEU A 37 4.049 -3.131 -0.672 1.00 0.00 C ATOM 591 O LEU A 37 3.754 -4.314 -0.832 1.00 0.00 O ATOM 592 CB LEU A 37 3.447 -1.627 1.312 1.00 0.00 C ATOM 593 CG LEU A 37 2.089 -1.542 0.612 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.338 -2.871 0.710 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.263 -0.375 1.157 1.00 0.00 C ATOM 0 H LEU A 37 5.767 -0.988 0.530 1.00 0.00 H new ATOM 0 HA LEU A 37 4.470 -3.467 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.280 -1.903 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.895 -0.633 1.314 1.00 0.00 H new ATOM 0 HG LEU A 37 2.262 -1.347 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.376 -2.784 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.926 -3.657 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.176 -3.121 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.303 -0.337 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.097 -0.514 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.800 0.559 0.992 1.00 0.00 H new ATOM 607 N LYS A 38 4.050 -2.222 -1.637 1.00 0.00 N ATOM 608 CA LYS A 38 3.688 -2.575 -2.999 1.00 0.00 C ATOM 609 C LYS A 38 4.508 -3.789 -3.441 1.00 0.00 C ATOM 610 O LYS A 38 4.033 -4.611 -4.222 1.00 0.00 O ATOM 611 CB LYS A 38 3.835 -1.364 -3.923 1.00 0.00 C ATOM 612 CG LYS A 38 3.632 -1.764 -5.386 1.00 0.00 C ATOM 613 CD LYS A 38 4.627 -1.039 -6.295 1.00 0.00 C ATOM 614 CE LYS A 38 4.325 0.460 -6.351 1.00 0.00 C ATOM 615 NZ LYS A 38 3.395 0.760 -7.463 1.00 0.00 N ATOM 0 H LYS A 38 4.296 -1.241 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 38 2.638 -2.862 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.108 -0.601 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.824 -0.923 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.755 -2.842 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.613 -1.527 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.641 -1.196 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.582 -1.461 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.889 0.785 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.251 1.019 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.200 1.781 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.825 0.468 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.505 0.241 -7.321 1.00 0.00 H new ATOM 629 N LYS A 39 5.725 -3.862 -2.922 1.00 0.00 N ATOM 630 CA LYS A 39 6.615 -4.962 -3.254 1.00 0.00 C ATOM 631 C LYS A 39 6.045 -6.263 -2.686 1.00 0.00 C ATOM 632 O LYS A 39 6.269 -7.337 -3.241 1.00 0.00 O ATOM 633 CB LYS A 39 8.039 -4.659 -2.786 1.00 0.00 C ATOM 634 CG LYS A 39 9.028 -5.690 -3.332 1.00 0.00 C ATOM 635 CD LYS A 39 10.332 -5.677 -2.532 1.00 0.00 C ATOM 636 CE LYS A 39 11.547 -5.696 -3.463 1.00 0.00 C ATOM 637 NZ LYS A 39 11.804 -4.343 -4.005 1.00 0.00 N ATOM 0 H LYS A 39 6.116 -3.178 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 39 6.679 -5.087 -4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.329 -3.662 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.075 -4.657 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.582 -6.684 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.238 -5.478 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.367 -4.789 -1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.364 -6.541 -1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.424 -6.049 -2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.375 -6.396 -4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.631 -4.373 -4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.973 -4.020 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.989 -3.684 -3.222 1.00 0.00 H new ATOM 651 N LYS A 40 5.317 -6.123 -1.588 1.00 0.00 N ATOM 652 CA LYS A 40 4.713 -7.274 -0.938 1.00 0.00 C ATOM 653 C LYS A 40 3.485 -7.717 -1.736 1.00 0.00 C ATOM 654 O LYS A 40 3.310 -8.905 -2.002 1.00 0.00 O ATOM 655 CB LYS A 40 4.413 -6.964 0.530 1.00 0.00 C ATOM 656 CG LYS A 40 5.153 -7.932 1.455 1.00 0.00 C ATOM 657 CD LYS A 40 4.776 -7.688 2.918 1.00 0.00 C ATOM 658 CE LYS A 40 5.937 -7.051 3.685 1.00 0.00 C ATOM 659 NZ LYS A 40 6.027 -5.606 3.383 1.00 0.00 N ATOM 0 H LYS A 40 5.132 -5.230 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 40 5.408 -8.114 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.709 -5.940 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.340 -7.033 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.913 -8.959 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.229 -7.812 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.902 -7.038 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.499 -8.632 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.796 -7.197 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.872 -7.543 3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.716 -5.160 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.333 -5.476 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.095 -5.165 3.517 1.00 0.00 H new ATOM 673 N ILE A 41 2.667 -6.739 -2.096 1.00 0.00 N ATOM 674 CA ILE A 41 1.460 -7.015 -2.858 1.00 0.00 C ATOM 675 C ILE A 41 1.838 -7.706 -4.170 1.00 0.00 C ATOM 676 O ILE A 41 0.995 -8.332 -4.810 1.00 0.00 O ATOM 677 CB ILE A 41 0.645 -5.734 -3.050 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.632 -4.894 -1.771 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.768 -6.054 -3.541 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.525 -3.894 -1.784 1.00 0.00 C ATOM 0 H ILE A 41 2.816 -5.755 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 41 0.811 -7.700 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 41 1.127 -5.134 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.543 -5.548 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.577 -4.361 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.327 -5.127 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.712 -6.579 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.274 -6.684 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.511 -3.310 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.419 -3.227 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.470 -4.432 -1.858 1.00 0.00 H new ATOM 692 N GLU A 42 3.105 -7.570 -4.530 1.00 0.00 N ATOM 693 CA GLU A 42 3.605 -8.174 -5.754 1.00 0.00 C ATOM 694 C GLU A 42 3.804 -9.679 -5.559 1.00 0.00 C ATOM 695 O GLU A 42 3.270 -10.483 -6.322 1.00 0.00 O ATOM 696 CB GLU A 42 4.903 -7.504 -6.206 1.00 0.00 C ATOM 697 CG GLU A 42 4.655 -6.575 -7.396 1.00 0.00 C ATOM 698 CD GLU A 42 5.520 -6.973 -8.592 1.00 0.00 C ATOM 699 OE1 GLU A 42 5.264 -8.067 -9.139 1.00 0.00 O ATOM 700 OE2 GLU A 42 6.419 -6.174 -8.935 1.00 0.00 O ATOM 0 H GLU A 42 3.801 -7.050 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 42 2.865 -8.023 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.330 -6.936 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.633 -8.265 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.602 -6.611 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.874 -5.546 -7.111 1.00 0.00 H new ATOM 707 N GLU A 43 4.574 -10.015 -4.535 1.00 0.00 N ATOM 708 CA GLU A 43 4.849 -11.409 -4.231 1.00 0.00 C ATOM 709 C GLU A 43 3.637 -12.054 -3.556 1.00 0.00 C ATOM 710 O GLU A 43 3.603 -13.269 -3.363 1.00 0.00 O ATOM 711 CB GLU A 43 6.099 -11.543 -3.359 1.00 0.00 C ATOM 712 CG GLU A 43 7.036 -12.622 -3.907 1.00 0.00 C ATOM 713 CD GLU A 43 6.482 -14.021 -3.631 1.00 0.00 C ATOM 714 OE1 GLU A 43 5.720 -14.510 -4.493 1.00 0.00 O ATOM 715 OE2 GLU A 43 6.832 -14.570 -2.564 1.00 0.00 O ATOM 0 H GLU A 43 5.016 -9.346 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 43 5.041 -11.934 -5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.623 -10.588 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.810 -11.792 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.167 -12.484 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.020 -12.520 -3.450 1.00 0.00 H new ATOM 722 N LEU A 44 2.673 -11.214 -3.213 1.00 0.00 N ATOM 723 CA LEU A 44 1.462 -11.688 -2.563 1.00 0.00 C ATOM 724 C LEU A 44 1.010 -12.990 -3.225 1.00 0.00 C ATOM 725 O LEU A 44 0.480 -12.976 -4.334 1.00 0.00 O ATOM 726 CB LEU A 44 0.392 -10.595 -2.563 1.00 0.00 C ATOM 727 CG LEU A 44 0.199 -9.844 -1.244 1.00 0.00 C ATOM 728 CD1 LEU A 44 -1.001 -8.899 -1.320 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.088 -10.819 -0.070 1.00 0.00 C ATOM 0 H LEU A 44 2.705 -10.207 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 44 1.655 -11.913 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.642 -9.870 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.560 -11.046 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 44 1.081 -9.228 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.115 -8.378 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.841 -8.171 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.904 -9.473 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.049 -10.260 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.766 -11.479 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.999 -11.414 -0.004 1.00 0.00 H new ATOM 741 N GLY A 45 1.237 -14.087 -2.515 1.00 0.00 N ATOM 742 CA GLY A 45 0.859 -15.396 -3.020 1.00 0.00 C ATOM 743 C GLY A 45 0.866 -16.438 -1.899 1.00 0.00 C ATOM 744 O GLY A 45 0.129 -16.310 -0.924 1.00 0.00 O ATOM 0 H GLY A 45 1.678 -14.095 -1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.134 -15.345 -3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.549 -15.699 -3.808 1.00 0.00 H new ATOM 748 N GLY A 46 1.708 -17.445 -2.077 1.00 0.00 N ATOM 749 CA GLY A 46 1.820 -18.509 -1.094 1.00 0.00 C ATOM 750 C GLY A 46 1.785 -17.946 0.329 1.00 0.00 C ATOM 751 O GLY A 46 0.965 -18.363 1.145 1.00 0.00 O ATOM 0 H GLY A 46 2.319 -17.547 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.005 -19.220 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.750 -19.057 -1.250 1.00 0.00 H new ATOM 755 N GLY A 47 2.685 -17.007 0.582 1.00 0.00 N ATOM 756 CA GLY A 47 2.767 -16.382 1.891 1.00 0.00 C ATOM 757 C GLY A 47 1.373 -16.155 2.478 1.00 0.00 C ATOM 758 O GLY A 47 1.128 -16.465 3.643 1.00 0.00 O ATOM 0 H GLY A 47 3.364 -16.664 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.350 -17.012 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.291 -15.430 1.811 1.00 0.00 H new ATOM 762 N GLY A 48 0.495 -15.616 1.645 1.00 0.00 N ATOM 763 CA GLY A 48 -0.868 -15.344 2.068 1.00 0.00 C ATOM 764 C GLY A 48 -0.888 -14.512 3.351 1.00 0.00 C ATOM 765 O GLY A 48 -1.889 -14.491 4.067 1.00 0.00 O ATOM 0 H GLY A 48 0.701 -15.360 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.399 -14.813 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.396 -16.283 2.231 1.00 0.00 H new ATOM 769 N GLU A 49 0.228 -13.845 3.605 1.00 0.00 N ATOM 770 CA GLU A 49 0.351 -13.014 4.790 1.00 0.00 C ATOM 771 C GLU A 49 -0.080 -11.580 4.480 1.00 0.00 C ATOM 772 O GLU A 49 0.501 -10.627 4.997 1.00 0.00 O ATOM 773 CB GLU A 49 1.778 -13.051 5.340 1.00 0.00 C ATOM 774 CG GLU A 49 1.953 -14.198 6.336 1.00 0.00 C ATOM 775 CD GLU A 49 2.390 -13.674 7.705 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.619 -13.573 7.909 1.00 0.00 O ATOM 777 OE2 GLU A 49 1.485 -13.385 8.518 1.00 0.00 O ATOM 0 H GLU A 49 1.056 -13.863 3.010 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.310 -13.413 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.485 -13.167 4.519 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.008 -12.104 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.015 -14.745 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.695 -14.902 5.959 1.00 0.00 H new ATOM 784 N VAL A 50 -1.095 -11.470 3.635 1.00 0.00 N ATOM 785 CA VAL A 50 -1.611 -10.168 3.249 1.00 0.00 C ATOM 786 C VAL A 50 -1.802 -9.308 4.500 1.00 0.00 C ATOM 787 O VAL A 50 -1.629 -8.092 4.454 1.00 0.00 O ATOM 788 CB VAL A 50 -2.897 -10.334 2.435 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.379 -8.988 1.891 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.702 -11.345 1.304 1.00 0.00 C ATOM 0 H VAL A 50 -1.574 -12.262 3.207 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.899 -9.651 2.605 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.668 -10.721 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.294 -9.134 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.576 -8.310 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.611 -8.560 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.630 -11.445 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.910 -11.000 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.427 -12.312 1.724 1.00 0.00 H new ATOM 800 N LYS A 51 -2.157 -9.975 5.589 1.00 0.00 N ATOM 801 CA LYS A 51 -2.373 -9.288 6.850 1.00 0.00 C ATOM 802 C LYS A 51 -1.340 -8.169 7.000 1.00 0.00 C ATOM 803 O LYS A 51 -1.619 -7.140 7.615 1.00 0.00 O ATOM 804 CB LYS A 51 -2.372 -10.286 8.011 1.00 0.00 C ATOM 805 CG LYS A 51 -3.757 -10.377 8.656 1.00 0.00 C ATOM 806 CD LYS A 51 -4.074 -11.814 9.073 1.00 0.00 C ATOM 807 CE LYS A 51 -4.441 -11.887 10.556 1.00 0.00 C ATOM 808 NZ LYS A 51 -4.540 -13.295 10.997 1.00 0.00 N ATOM 0 H LYS A 51 -2.300 -10.984 5.623 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.357 -8.818 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.069 -11.269 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.639 -9.981 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.800 -9.724 9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.513 -10.023 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.898 -12.197 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.212 -12.452 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.689 -11.366 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.390 -11.379 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.790 -13.326 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.274 -13.781 10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.626 -13.769 10.852 1.00 0.00 H new ATOM 822 N LYS A 52 -0.169 -8.408 6.428 1.00 0.00 N ATOM 823 CA LYS A 52 0.907 -7.434 6.491 1.00 0.00 C ATOM 824 C LYS A 52 0.629 -6.309 5.491 1.00 0.00 C ATOM 825 O LYS A 52 0.538 -5.143 5.872 1.00 0.00 O ATOM 826 CB LYS A 52 2.261 -8.116 6.288 1.00 0.00 C ATOM 827 CG LYS A 52 2.998 -8.278 7.619 1.00 0.00 C ATOM 828 CD LYS A 52 4.216 -7.355 7.686 1.00 0.00 C ATOM 829 CE LYS A 52 5.515 -8.163 7.704 1.00 0.00 C ATOM 830 NZ LYS A 52 6.589 -7.403 8.384 1.00 0.00 N ATOM 0 H LYS A 52 0.058 -9.262 5.919 1.00 0.00 H new ATOM 0 HA LYS A 52 0.951 -6.979 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.115 -9.093 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.869 -7.528 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.321 -8.054 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.315 -9.314 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.214 -6.682 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.157 -6.734 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.353 -9.112 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.818 -8.398 6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.464 -7.966 8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.754 -6.509 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.304 -7.200 9.363 1.00 0.00 H new ATOM 844 N VAL A 53 0.502 -6.698 4.231 1.00 0.00 N ATOM 845 CA VAL A 53 0.237 -5.738 3.174 1.00 0.00 C ATOM 846 C VAL A 53 -0.796 -4.721 3.662 1.00 0.00 C ATOM 847 O VAL A 53 -0.477 -3.549 3.853 1.00 0.00 O ATOM 848 CB VAL A 53 -0.196 -6.468 1.900 1.00 0.00 C ATOM 849 CG1 VAL A 53 -1.048 -5.560 1.012 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.016 -7.004 1.136 1.00 0.00 C ATOM 0 H VAL A 53 0.578 -7.666 3.918 1.00 0.00 H new ATOM 0 HA VAL A 53 1.143 -5.186 2.923 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.809 -7.320 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.343 -6.102 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.939 -5.250 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.470 -4.680 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.680 -7.518 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.667 -6.175 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.565 -7.701 1.768 1.00 0.00 H new ATOM 860 N GLU A 54 -2.014 -5.208 3.850 1.00 0.00 N ATOM 861 CA GLU A 54 -3.097 -4.356 4.312 1.00 0.00 C ATOM 862 C GLU A 54 -2.590 -3.386 5.381 1.00 0.00 C ATOM 863 O GLU A 54 -2.502 -2.183 5.141 1.00 0.00 O ATOM 864 CB GLU A 54 -4.265 -5.192 4.840 1.00 0.00 C ATOM 865 CG GLU A 54 -4.812 -6.118 3.752 1.00 0.00 C ATOM 866 CD GLU A 54 -6.168 -5.626 3.243 1.00 0.00 C ATOM 867 OE1 GLU A 54 -7.168 -5.893 3.944 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.174 -4.993 2.165 1.00 0.00 O ATOM 0 H GLU A 54 -2.275 -6.181 3.691 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.462 -3.775 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.937 -5.783 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.058 -4.533 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.105 -6.169 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.913 -7.129 4.147 1.00 0.00 H new ATOM 875 N GLU A 55 -2.270 -3.945 6.538 1.00 0.00 N ATOM 876 CA GLU A 55 -1.774 -3.145 7.645 1.00 0.00 C ATOM 877 C GLU A 55 -0.761 -2.114 7.142 1.00 0.00 C ATOM 878 O GLU A 55 -0.611 -1.047 7.734 1.00 0.00 O ATOM 879 CB GLU A 55 -1.161 -4.030 8.731 1.00 0.00 C ATOM 880 CG GLU A 55 -1.986 -3.969 10.019 1.00 0.00 C ATOM 881 CD GLU A 55 -1.290 -3.111 11.076 1.00 0.00 C ATOM 882 OE1 GLU A 55 -0.049 -3.227 11.173 1.00 0.00 O ATOM 883 OE2 GLU A 55 -2.014 -2.360 11.764 1.00 0.00 O ATOM 0 H GLU A 55 -2.344 -4.943 6.733 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.616 -2.613 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.107 -5.060 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.139 -3.708 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.972 -3.558 9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.138 -4.977 10.406 1.00 0.00 H new ATOM 890 N GLU A 56 -0.093 -2.470 6.054 1.00 0.00 N ATOM 891 CA GLU A 56 0.901 -1.589 5.465 1.00 0.00 C ATOM 892 C GLU A 56 0.218 -0.475 4.670 1.00 0.00 C ATOM 893 O GLU A 56 0.571 0.696 4.807 1.00 0.00 O ATOM 894 CB GLU A 56 1.875 -2.374 4.584 1.00 0.00 C ATOM 895 CG GLU A 56 3.326 -2.051 4.948 1.00 0.00 C ATOM 896 CD GLU A 56 3.555 -2.184 6.454 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.483 -3.333 6.941 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.798 -1.132 7.087 1.00 0.00 O ATOM 0 H GLU A 56 -0.221 -3.356 5.565 1.00 0.00 H new ATOM 0 HA GLU A 56 1.477 -1.133 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.696 -3.443 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.697 -2.134 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.997 -2.723 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.568 -1.038 4.628 1.00 0.00 H new ATOM 905 N VAL A 57 -0.747 -0.878 3.856 1.00 0.00 N ATOM 906 CA VAL A 57 -1.483 0.073 3.040 1.00 0.00 C ATOM 907 C VAL A 57 -2.326 0.972 3.945 1.00 0.00 C ATOM 908 O VAL A 57 -2.693 2.080 3.559 1.00 0.00 O ATOM 909 CB VAL A 57 -2.313 -0.671 1.993 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.656 0.244 0.815 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.593 -1.933 1.516 1.00 0.00 C ATOM 0 H VAL A 57 -1.036 -1.850 3.744 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.797 0.719 2.492 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.247 -0.978 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.246 -0.309 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.230 1.099 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.736 0.595 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.206 -2.442 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.636 -1.660 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.424 -2.598 2.363 1.00 0.00 H new ATOM 921 N LYS A 58 -2.611 0.459 5.134 1.00 0.00 N ATOM 922 CA LYS A 58 -3.405 1.202 6.098 1.00 0.00 C ATOM 923 C LYS A 58 -2.597 2.398 6.606 1.00 0.00 C ATOM 924 O LYS A 58 -3.053 3.538 6.530 1.00 0.00 O ATOM 925 CB LYS A 58 -3.899 0.276 7.211 1.00 0.00 C ATOM 926 CG LYS A 58 -5.240 0.757 7.770 1.00 0.00 C ATOM 927 CD LYS A 58 -6.331 -0.294 7.559 1.00 0.00 C ATOM 928 CE LYS A 58 -7.240 -0.395 8.785 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.531 -1.022 8.424 1.00 0.00 N ATOM 0 H LYS A 58 -2.306 -0.461 5.451 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.302 1.602 5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.004 -0.738 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.160 0.237 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.138 0.972 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.528 1.688 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.925 -0.036 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.874 -1.263 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.749 -0.981 9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.415 0.598 9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.136 -1.083 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.005 -0.447 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.360 -1.978 8.051 1.00 0.00 H new ATOM 943 N LYS A 59 -1.410 2.096 7.113 1.00 0.00 N ATOM 944 CA LYS A 59 -0.533 3.133 7.633 1.00 0.00 C ATOM 945 C LYS A 59 -0.570 4.342 6.698 1.00 0.00 C ATOM 946 O LYS A 59 -0.423 5.480 7.142 1.00 0.00 O ATOM 947 CB LYS A 59 0.873 2.577 7.866 1.00 0.00 C ATOM 948 CG LYS A 59 1.733 3.573 8.647 1.00 0.00 C ATOM 949 CD LYS A 59 3.125 3.699 8.026 1.00 0.00 C ATOM 950 CE LYS A 59 3.576 5.161 7.985 1.00 0.00 C ATOM 951 NZ LYS A 59 5.047 5.246 7.842 1.00 0.00 N ATOM 0 H LYS A 59 -1.035 1.149 7.175 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.881 3.474 8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.810 1.637 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.344 2.357 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.246 4.548 8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.821 3.248 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.839 3.110 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.115 3.289 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.094 5.673 7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.263 5.670 8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.412 6.003 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.476 4.340 8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.288 5.455 6.852 1.00 0.00 H new ATOM 965 N LEU A 60 -0.768 4.056 5.419 1.00 0.00 N ATOM 966 CA LEU A 60 -0.826 5.107 4.418 1.00 0.00 C ATOM 967 C LEU A 60 -2.170 5.830 4.520 1.00 0.00 C ATOM 968 O LEU A 60 -2.231 6.973 4.970 1.00 0.00 O ATOM 969 CB LEU A 60 -0.539 4.537 3.027 1.00 0.00 C ATOM 970 CG LEU A 60 0.931 4.521 2.598 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.371 3.111 2.201 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.188 5.538 1.484 1.00 0.00 C ATOM 0 H LEU A 60 -0.890 3.112 5.054 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.050 5.850 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.919 3.516 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.104 5.115 2.296 1.00 0.00 H new ATOM 0 HG LEU A 60 1.540 4.819 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.419 3.128 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.248 2.439 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.761 2.760 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.239 5.506 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.569 5.295 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.939 6.538 1.839 1.00 0.00 H new ATOM 984 N GLU A 61 -3.214 5.134 4.094 1.00 0.00 N ATOM 985 CA GLU A 61 -4.553 5.696 4.133 1.00 0.00 C ATOM 986 C GLU A 61 -4.724 6.580 5.370 1.00 0.00 C ATOM 987 O GLU A 61 -5.198 7.709 5.271 1.00 0.00 O ATOM 988 CB GLU A 61 -5.612 4.593 4.097 1.00 0.00 C ATOM 989 CG GLU A 61 -5.867 4.123 2.663 1.00 0.00 C ATOM 990 CD GLU A 61 -7.297 4.444 2.226 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.215 4.135 3.017 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.442 4.992 1.112 1.00 0.00 O ATOM 0 H GLU A 61 -3.159 4.186 3.720 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.690 6.316 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.285 3.751 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.541 4.961 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.160 4.605 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.694 3.049 2.592 1.00 0.00 H new ATOM 999 N GLU A 62 -4.326 6.030 6.509 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.429 6.753 7.764 1.00 0.00 C ATOM 1001 C GLU A 62 -3.636 8.060 7.691 1.00 0.00 C ATOM 1002 O GLU A 62 -4.215 9.144 7.719 1.00 0.00 O ATOM 1003 CB GLU A 62 -3.955 5.889 8.935 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.129 5.487 9.830 1.00 0.00 C ATOM 1005 CD GLU A 62 -4.858 5.858 11.289 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -3.774 5.476 11.781 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -5.742 6.515 11.881 1.00 0.00 O ATOM 0 H GLU A 62 -3.932 5.092 6.588 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.478 6.996 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.460 4.995 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.217 6.437 9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.038 5.982 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.301 4.414 9.750 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.322 7.913 7.599 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.444 9.068 7.521 1.00 0.00 C ATOM 1016 C GLU A 63 -1.882 9.992 6.383 1.00 0.00 C ATOM 1017 O GLU A 63 -2.128 11.178 6.602 1.00 0.00 O ATOM 1018 CB GLU A 63 0.014 8.637 7.346 1.00 0.00 C ATOM 1019 CG GLU A 63 0.938 9.446 8.258 1.00 0.00 C ATOM 1020 CD GLU A 63 0.537 9.285 9.726 1.00 0.00 C ATOM 1021 OE1 GLU A 63 0.982 8.284 10.329 1.00 0.00 O ATOM 1022 OE2 GLU A 63 -0.204 10.166 10.212 1.00 0.00 O ATOM 0 H GLU A 63 -1.845 7.012 7.577 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.516 9.619 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.113 7.575 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.314 8.771 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.968 9.118 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.899 10.499 7.980 1.00 0.00 H new ATOM 1029 N ILE A 64 -1.968 9.416 5.194 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.372 10.174 4.022 1.00 0.00 C ATOM 1031 C ILE A 64 -3.642 10.964 4.345 1.00 0.00 C ATOM 1032 O ILE A 64 -3.769 12.126 3.960 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.514 9.251 2.809 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.223 8.466 2.564 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -2.953 10.035 1.572 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -1.057 8.137 1.079 1.00 0.00 C ATOM 0 H ILE A 64 -1.765 8.432 5.016 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.604 10.899 3.753 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.297 8.524 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.368 9.047 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.237 7.544 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.046 9.356 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.915 10.509 1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.211 10.800 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.132 7.579 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.902 7.535 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.019 9.062 0.503 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.549 10.303 5.048 1.00 0.00 N ATOM 1049 CA LYS A 65 -5.804 10.929 5.426 1.00 0.00 C ATOM 1050 C LYS A 65 -5.519 12.115 6.350 1.00 0.00 C ATOM 1051 O LYS A 65 -6.258 13.098 6.350 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.758 9.897 6.030 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.558 9.185 4.936 1.00 0.00 C ATOM 1054 CD LYS A 65 -9.053 9.478 5.070 1.00 0.00 C ATOM 1055 CE LYS A 65 -9.775 9.270 3.737 1.00 0.00 C ATOM 1056 NZ LYS A 65 -11.160 8.801 3.965 1.00 0.00 N ATOM 0 H LYS A 65 -4.440 9.340 5.366 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.312 11.323 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.191 9.165 6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.440 10.389 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.207 9.508 3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.388 8.110 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.488 8.827 5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.197 10.504 5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.789 10.204 3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.233 8.542 3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.635 8.665 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.140 7.899 4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.679 9.509 4.523 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.445 11.984 7.115 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.053 13.032 8.041 1.00 0.00 C ATOM 1072 C LYS A 66 -3.227 14.083 7.296 1.00 0.00 C ATOM 1073 O LYS A 66 -3.260 15.263 7.641 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.338 12.435 9.255 1.00 0.00 C ATOM 1075 CG LYS A 66 -3.696 13.199 10.532 1.00 0.00 C ATOM 1076 CD LYS A 66 -2.497 13.996 11.048 1.00 0.00 C ATOM 1077 CE LYS A 66 -2.511 14.081 12.575 1.00 0.00 C ATOM 1078 NZ LYS A 66 -1.283 13.479 13.139 1.00 0.00 N ATOM 0 H LYS A 66 -3.834 11.167 7.112 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.933 13.539 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.614 11.386 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.260 12.466 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.528 13.874 10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.029 12.499 11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.572 13.525 10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.514 15.000 10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.588 15.123 12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.388 13.565 12.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.309 13.545 14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.225 12.480 12.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.450 13.988 12.780 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.506 13.616 6.288 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.673 14.500 5.490 1.00 0.00 C ATOM 1094 C LEU A 67 -2.536 15.626 4.916 1.00 0.00 C ATOM 1095 O LEU A 67 -2.303 16.081 3.798 1.00 0.00 O ATOM 1096 CB LEU A 67 -0.912 13.705 4.428 1.00 0.00 C ATOM 1097 CG LEU A 67 0.400 13.062 4.883 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.767 11.876 3.991 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.524 14.098 4.951 1.00 0.00 C ATOM 0 H LEU A 67 -2.481 12.636 6.005 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.910 14.968 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.567 12.919 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.697 14.369 3.591 1.00 0.00 H new ATOM 0 HG LEU A 67 0.259 12.674 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.703 11.437 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.024 11.127 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.883 12.217 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.445 13.615 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.674 14.537 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.255 14.881 5.660 1.00 0.00 H new TER 1111 LEU A 67