USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot -15:sc= 0.622 USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0543) USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= -0.548 (180deg=-1.6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -111:sc= -0.369 (180deg=-1.27!) USER MOD Single : A 19 LYS NZ :NH3+ -117:sc= 0.836 (180deg=-0.409) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= -0.358 (180deg=-0.378) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot -1:sc= -11! USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= -1.89 (180deg=-2.55) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0.403 (180deg=0.306) USER MOD Single : A 40 LYS NZ :NH3+ -125:sc= 0.615 (180deg=-0.0432) USER MOD Single : A 51 LYS NZ :NH3+ -115:sc= 0.757 (180deg=-0.0126) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -16.980 -4.360 6.151 1.00 0.00 N ATOM 11 CA SER A 2 -17.326 -3.570 4.976 1.00 0.00 C ATOM 12 C SER A 2 -16.345 -2.417 4.785 1.00 0.00 C ATOM 13 O SER A 2 -16.019 -2.047 3.657 1.00 0.00 O ATOM 14 CB SER A 2 -18.751 -3.026 5.103 1.00 0.00 C ATOM 15 OG SER A 2 -19.119 -2.876 6.464 1.00 0.00 O ATOM 0 HA SER A 2 -17.268 -4.220 4.103 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.823 -2.064 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.447 -3.702 4.607 1.00 0.00 H new ATOM 0 HG SER A 2 -18.488 -3.368 7.030 1.00 0.00 H new ATOM 21 N ARG A 3 -15.877 -1.852 5.894 1.00 0.00 N ATOM 22 CA ARG A 3 -14.934 -0.741 5.844 1.00 0.00 C ATOM 23 C ARG A 3 -13.495 -1.246 5.852 1.00 0.00 C ATOM 24 O ARG A 3 -12.624 -0.671 5.201 1.00 0.00 O ATOM 25 CB ARG A 3 -15.168 0.207 7.021 1.00 0.00 C ATOM 26 CG ARG A 3 -14.949 -0.438 8.380 1.00 0.00 C ATOM 27 CD ARG A 3 -13.623 -0.018 8.994 1.00 0.00 C ATOM 28 NE ARG A 3 -13.806 0.687 10.261 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.069 1.990 10.357 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.180 2.736 9.265 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -14.225 2.547 11.551 1.00 0.00 N ATOM 0 H ARG A 3 -16.135 -2.145 6.836 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.099 -0.197 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.501 1.064 6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.187 0.589 6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.764 -0.162 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.975 -1.523 8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.003 -0.900 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.087 0.625 8.295 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.728 0.149 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.064 2.313 8.344 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.381 3.733 9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.144 1.978 12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.426 3.544 11.626 1.00 0.00 H new ATOM 45 N VAL A 4 -13.250 -2.325 6.589 1.00 0.00 N ATOM 46 CA VAL A 4 -11.915 -2.906 6.674 1.00 0.00 C ATOM 47 C VAL A 4 -11.540 -3.608 5.372 1.00 0.00 C ATOM 48 O VAL A 4 -10.429 -3.444 4.867 1.00 0.00 O ATOM 49 CB VAL A 4 -11.812 -3.912 7.837 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.389 -4.434 7.974 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.281 -3.276 9.137 1.00 0.00 C ATOM 0 H VAL A 4 -13.958 -2.814 7.136 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.222 -2.084 6.854 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.463 -4.758 7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.339 -5.142 8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.094 -4.933 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.713 -3.601 8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.201 -4.001 9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.659 -2.410 9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.319 -2.961 9.034 1.00 0.00 H new ATOM 61 N LYS A 5 -12.472 -4.389 4.833 1.00 0.00 N ATOM 62 CA LYS A 5 -12.232 -5.112 3.589 1.00 0.00 C ATOM 63 C LYS A 5 -12.040 -4.137 2.434 1.00 0.00 C ATOM 64 O LYS A 5 -11.149 -4.311 1.608 1.00 0.00 O ATOM 65 CB LYS A 5 -13.392 -6.066 3.288 1.00 0.00 C ATOM 66 CG LYS A 5 -13.394 -6.601 1.863 1.00 0.00 C ATOM 67 CD LYS A 5 -12.070 -7.263 1.512 1.00 0.00 C ATOM 68 CE LYS A 5 -12.224 -8.765 1.339 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.698 -9.421 2.588 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.397 -4.537 5.237 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.321 -5.699 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.349 -6.906 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.333 -5.548 3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.204 -7.321 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.589 -5.785 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.678 -6.829 0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.341 -7.059 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.929 -8.967 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.268 -9.196 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.597 -10.452 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.130 -9.087 3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.698 -9.183 2.747 1.00 0.00 H new ATOM 83 N ALA A 6 -12.875 -3.104 2.391 1.00 0.00 N ATOM 84 CA ALA A 6 -12.786 -2.095 1.344 1.00 0.00 C ATOM 85 C ALA A 6 -11.395 -1.476 1.329 1.00 0.00 C ATOM 86 O ALA A 6 -10.856 -1.143 0.274 1.00 0.00 O ATOM 87 CB ALA A 6 -13.847 -1.026 1.548 1.00 0.00 C ATOM 0 H ALA A 6 -13.620 -2.944 3.069 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.963 -2.572 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.768 -0.279 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.836 -1.484 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.700 -0.547 2.516 1.00 0.00 H new ATOM 93 N LEU A 7 -10.822 -1.333 2.518 1.00 0.00 N ATOM 94 CA LEU A 7 -9.491 -0.764 2.679 1.00 0.00 C ATOM 95 C LEU A 7 -8.458 -1.578 1.907 1.00 0.00 C ATOM 96 O LEU A 7 -7.570 -1.023 1.260 1.00 0.00 O ATOM 97 CB LEU A 7 -9.127 -0.743 4.165 1.00 0.00 C ATOM 98 CG LEU A 7 -8.385 0.501 4.647 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.960 0.512 4.115 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.123 1.763 4.228 1.00 0.00 C ATOM 0 H LEU A 7 -11.266 -1.607 3.394 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.493 0.252 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.043 -0.845 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.513 -1.617 4.382 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.345 0.475 5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.446 1.406 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.433 -0.374 4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.978 0.512 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.577 2.638 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.198 1.797 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.123 1.760 4.661 1.00 0.00 H new ATOM 112 N GLU A 8 -8.578 -2.896 1.992 1.00 0.00 N ATOM 113 CA GLU A 8 -7.657 -3.800 1.314 1.00 0.00 C ATOM 114 C GLU A 8 -7.753 -3.667 -0.207 1.00 0.00 C ATOM 115 O GLU A 8 -6.770 -3.867 -0.918 1.00 0.00 O ATOM 116 CB GLU A 8 -7.933 -5.249 1.748 1.00 0.00 C ATOM 117 CG GLU A 8 -8.882 -6.012 0.831 1.00 0.00 C ATOM 118 CD GLU A 8 -8.172 -6.631 -0.357 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.531 -7.689 -0.181 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.256 -6.058 -1.464 1.00 0.00 O ATOM 0 H GLU A 8 -9.308 -3.366 2.527 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.642 -3.527 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.986 -5.787 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.349 -5.240 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.380 -6.796 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.658 -5.336 0.474 1.00 0.00 H new ATOM 127 N GLU A 9 -8.947 -3.352 -0.697 1.00 0.00 N ATOM 128 CA GLU A 9 -9.183 -3.213 -2.133 1.00 0.00 C ATOM 129 C GLU A 9 -8.448 -2.013 -2.733 1.00 0.00 C ATOM 130 O GLU A 9 -7.973 -2.076 -3.866 1.00 0.00 O ATOM 131 CB GLU A 9 -10.682 -3.089 -2.408 1.00 0.00 C ATOM 132 CG GLU A 9 -11.380 -4.425 -2.593 1.00 0.00 C ATOM 133 CD GLU A 9 -11.212 -4.983 -3.992 1.00 0.00 C ATOM 134 OE1 GLU A 9 -10.078 -5.373 -4.344 1.00 0.00 O ATOM 135 OE2 GLU A 9 -12.213 -5.030 -4.737 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.771 -3.187 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.789 -4.110 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.151 -2.555 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.830 -2.485 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.985 -5.140 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.442 -4.308 -2.378 1.00 0.00 H new ATOM 142 N LYS A 10 -8.381 -0.916 -1.987 1.00 0.00 N ATOM 143 CA LYS A 10 -7.729 0.302 -2.468 1.00 0.00 C ATOM 144 C LYS A 10 -6.207 0.162 -2.517 1.00 0.00 C ATOM 145 O LYS A 10 -5.554 0.725 -3.395 1.00 0.00 O ATOM 146 CB LYS A 10 -8.114 1.492 -1.586 1.00 0.00 C ATOM 147 CG LYS A 10 -7.718 1.328 -0.127 1.00 0.00 C ATOM 148 CD LYS A 10 -7.500 2.673 0.547 1.00 0.00 C ATOM 149 CE LYS A 10 -6.374 3.453 -0.111 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.890 4.510 -1.025 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.769 -0.843 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.077 0.473 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.644 2.392 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.192 1.643 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.495 0.777 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.806 0.735 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.420 3.255 0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.269 2.519 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.752 3.910 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.737 2.768 -0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.389 4.457 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.908 4.367 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.734 5.445 -0.598 1.00 0.00 H new ATOM 164 N VAL A 11 -5.646 -0.571 -1.563 1.00 0.00 N ATOM 165 CA VAL A 11 -4.200 -0.761 -1.492 1.00 0.00 C ATOM 166 C VAL A 11 -3.676 -1.609 -2.651 1.00 0.00 C ATOM 167 O VAL A 11 -2.596 -1.348 -3.182 1.00 0.00 O ATOM 168 CB VAL A 11 -3.799 -1.424 -0.158 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.288 -1.574 -0.057 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.338 -0.625 1.016 1.00 0.00 C ATOM 0 H VAL A 11 -6.170 -1.044 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.751 0.230 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.239 -2.421 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.032 -2.044 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.928 -2.195 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.820 -0.591 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.046 -1.107 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.930 0.385 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.425 -0.579 0.956 1.00 0.00 H new ATOM 180 N LYS A 12 -4.437 -2.625 -3.030 1.00 0.00 N ATOM 181 CA LYS A 12 -4.047 -3.519 -4.116 1.00 0.00 C ATOM 182 C LYS A 12 -4.098 -2.813 -5.460 1.00 0.00 C ATOM 183 O LYS A 12 -3.246 -3.034 -6.320 1.00 0.00 O ATOM 184 CB LYS A 12 -4.940 -4.756 -4.144 1.00 0.00 C ATOM 185 CG LYS A 12 -4.300 -5.945 -4.841 1.00 0.00 C ATOM 186 CD LYS A 12 -4.882 -7.257 -4.344 1.00 0.00 C ATOM 187 CE LYS A 12 -4.080 -8.447 -4.843 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.092 -9.573 -3.868 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.333 -2.854 -2.600 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.018 -3.829 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.193 -5.036 -3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.875 -4.509 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.451 -5.863 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.224 -5.934 -4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.898 -7.259 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.915 -7.348 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.488 -8.787 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.051 -8.139 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.534 -10.365 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.679 -9.257 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.072 -9.884 -3.709 1.00 0.00 H new ATOM 202 N ALA A 13 -5.095 -1.958 -5.640 1.00 0.00 N ATOM 203 CA ALA A 13 -5.237 -1.225 -6.885 1.00 0.00 C ATOM 204 C ALA A 13 -3.966 -0.439 -7.162 1.00 0.00 C ATOM 205 O ALA A 13 -3.525 -0.325 -8.306 1.00 0.00 O ATOM 206 CB ALA A 13 -6.440 -0.296 -6.824 1.00 0.00 C ATOM 0 H ALA A 13 -5.812 -1.757 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.400 -1.933 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.530 0.245 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.344 -0.881 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.309 0.415 -6.008 1.00 0.00 H new ATOM 212 N LEU A 14 -3.366 0.075 -6.094 1.00 0.00 N ATOM 213 CA LEU A 14 -2.122 0.824 -6.212 1.00 0.00 C ATOM 214 C LEU A 14 -0.970 -0.109 -6.565 1.00 0.00 C ATOM 215 O LEU A 14 -0.017 0.287 -7.224 1.00 0.00 O ATOM 216 CB LEU A 14 -1.810 1.578 -4.922 1.00 0.00 C ATOM 217 CG LEU A 14 -0.987 2.853 -5.117 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.257 3.846 -3.999 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.498 2.523 -5.202 1.00 0.00 C ATOM 0 H LEU A 14 -3.719 -0.013 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.245 1.553 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.748 1.837 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.271 0.912 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.289 3.315 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.661 4.745 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.315 4.109 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.989 3.398 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.068 3.442 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.816 2.035 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.675 1.856 -6.046 1.00 0.00 H new ATOM 231 N GLU A 15 -1.064 -1.349 -6.105 1.00 0.00 N ATOM 232 CA GLU A 15 -0.029 -2.346 -6.360 1.00 0.00 C ATOM 233 C GLU A 15 0.210 -2.532 -7.858 1.00 0.00 C ATOM 234 O GLU A 15 1.344 -2.705 -8.302 1.00 0.00 O ATOM 235 CB GLU A 15 -0.435 -3.680 -5.734 1.00 0.00 C ATOM 236 CG GLU A 15 0.636 -4.747 -5.834 1.00 0.00 C ATOM 237 CD GLU A 15 0.218 -5.919 -6.701 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.967 -6.306 -6.642 1.00 0.00 O ATOM 239 OE2 GLU A 15 1.076 -6.449 -7.438 1.00 0.00 O1- ATOM 0 H GLU A 15 -1.849 -1.691 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 15 0.899 -1.993 -5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.680 -3.520 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.341 -4.040 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.545 -4.306 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.877 -5.108 -4.834 1.00 0.00 H new ATOM 246 N GLU A 16 -0.872 -2.505 -8.621 1.00 0.00 N ATOM 247 CA GLU A 16 -0.816 -2.678 -10.072 1.00 0.00 C ATOM 248 C GLU A 16 -0.094 -1.520 -10.744 1.00 0.00 C ATOM 249 O GLU A 16 0.565 -1.701 -11.767 1.00 0.00 O ATOM 250 CB GLU A 16 -2.228 -2.813 -10.644 1.00 0.00 C ATOM 251 CG GLU A 16 -3.040 -3.925 -10.002 1.00 0.00 C ATOM 252 CD GLU A 16 -3.761 -4.785 -11.022 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.377 -4.216 -11.948 1.00 0.00 O ATOM 254 OE2 GLU A 16 -3.709 -6.026 -10.895 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.814 -2.363 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.255 -3.590 -10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.755 -1.868 -10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.161 -2.996 -11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.380 -4.553 -9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.769 -3.489 -9.319 1.00 0.00 H new ATOM 261 N LYS A 17 -0.228 -0.331 -10.173 1.00 0.00 N ATOM 262 CA LYS A 17 0.410 0.855 -10.725 1.00 0.00 C ATOM 263 C LYS A 17 1.926 0.793 -10.544 1.00 0.00 C ATOM 264 O LYS A 17 2.680 1.347 -11.344 1.00 0.00 O ATOM 265 CB LYS A 17 -0.167 2.132 -10.091 1.00 0.00 C ATOM 266 CG LYS A 17 0.338 2.427 -8.684 1.00 0.00 C ATOM 267 CD LYS A 17 0.864 3.847 -8.557 1.00 0.00 C ATOM 268 CE LYS A 17 -0.159 4.872 -9.025 1.00 0.00 C ATOM 269 NZ LYS A 17 0.202 5.454 -10.349 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.773 -0.162 -9.327 1.00 0.00 H new ATOM 0 HA LYS A 17 0.200 0.885 -11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.071 2.980 -10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.253 2.049 -10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.470 2.274 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.129 1.722 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.128 4.045 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.777 3.950 -9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.140 4.402 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.237 5.670 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.469 6.452 -10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.003 4.928 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.614 5.389 -10.991 1.00 0.00 H new ATOM 283 N VAL A 18 2.364 0.128 -9.478 1.00 0.00 N ATOM 284 CA VAL A 18 3.791 0.012 -9.182 1.00 0.00 C ATOM 285 C VAL A 18 4.513 -0.894 -10.179 1.00 0.00 C ATOM 286 O VAL A 18 5.582 -0.548 -10.683 1.00 0.00 O ATOM 287 CB VAL A 18 4.023 -0.530 -7.759 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.495 -0.446 -7.387 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.166 0.223 -6.753 1.00 0.00 C ATOM 0 H VAL A 18 1.754 -0.338 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 18 4.202 1.018 -9.262 1.00 0.00 H new ATOM 0 HB VAL A 18 3.728 -1.579 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.638 -0.834 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.082 -1.037 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.821 0.593 -7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.344 -0.174 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.425 1.281 -6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.113 0.102 -7.009 1.00 0.00 H new ATOM 299 N LYS A 19 3.926 -2.050 -10.459 1.00 0.00 N ATOM 300 CA LYS A 19 4.517 -3.001 -11.394 1.00 0.00 C ATOM 301 C LYS A 19 4.447 -2.478 -12.827 1.00 0.00 C ATOM 302 O LYS A 19 5.214 -2.902 -13.692 1.00 0.00 O ATOM 303 CB LYS A 19 3.805 -4.351 -11.298 1.00 0.00 C ATOM 304 CG LYS A 19 2.328 -4.287 -11.649 1.00 0.00 C ATOM 305 CD LYS A 19 1.840 -5.593 -12.253 1.00 0.00 C ATOM 306 CE LYS A 19 2.010 -6.752 -11.284 1.00 0.00 C ATOM 307 NZ LYS A 19 1.018 -6.699 -10.175 1.00 0.00 N1+ ATOM 0 H LYS A 19 3.041 -2.353 -10.052 1.00 0.00 H new ATOM 0 HA LYS A 19 5.566 -3.129 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.297 -5.060 -11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.912 -4.738 -10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.750 -4.061 -10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.156 -3.473 -12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.789 -5.498 -12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.392 -5.800 -13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.903 -7.694 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.018 -6.734 -10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.516 -6.580 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.374 -5.896 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.471 -7.583 -10.156 1.00 0.00 H new ATOM 321 N ALA A 20 3.512 -1.568 -13.069 1.00 0.00 N ATOM 322 CA ALA A 20 3.322 -0.994 -14.394 1.00 0.00 C ATOM 323 C ALA A 20 4.451 -0.037 -14.767 1.00 0.00 C ATOM 324 O ALA A 20 4.722 0.179 -15.948 1.00 0.00 O ATOM 325 CB ALA A 20 1.978 -0.285 -14.460 1.00 0.00 C ATOM 0 H ALA A 20 2.871 -1.211 -12.361 1.00 0.00 H new ATOM 0 HA ALA A 20 3.338 -1.808 -15.118 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.841 0.143 -15.453 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.180 -0.999 -14.259 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.949 0.510 -13.715 1.00 0.00 H new ATOM 331 N LEU A 21 5.108 0.539 -13.764 1.00 0.00 N ATOM 332 CA LEU A 21 6.202 1.471 -14.016 1.00 0.00 C ATOM 333 C LEU A 21 7.526 0.734 -14.186 1.00 0.00 C ATOM 334 O LEU A 21 7.734 -0.336 -13.615 1.00 0.00 O ATOM 335 CB LEU A 21 6.311 2.504 -12.891 1.00 0.00 C ATOM 336 CG LEU A 21 7.006 2.026 -11.610 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.262 2.845 -11.345 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.058 2.115 -10.424 1.00 0.00 C ATOM 0 H LEU A 21 4.904 0.379 -12.778 1.00 0.00 H new ATOM 0 HA LEU A 21 5.980 1.994 -14.946 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.849 3.372 -13.271 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.307 2.840 -12.633 1.00 0.00 H new ATOM 0 HG LEU A 21 7.295 0.984 -11.746 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.741 2.491 -10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.951 2.736 -12.182 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.994 3.895 -11.230 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.568 1.772 -9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.740 3.149 -10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.185 1.488 -10.608 1.00 0.00 H new ATOM 350 N GLY A 22 8.416 1.324 -14.976 1.00 0.00 N ATOM 351 CA GLY A 22 9.718 0.726 -15.220 1.00 0.00 C ATOM 352 C GLY A 22 9.639 -0.758 -15.526 1.00 0.00 C ATOM 353 O GLY A 22 9.302 -1.152 -16.642 1.00 0.00 O ATOM 0 H GLY A 22 8.259 2.211 -15.455 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.197 1.239 -16.054 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.352 0.878 -14.346 1.00 0.00 H new ATOM 357 N GLY A 23 9.953 -1.581 -14.530 1.00 0.00 N ATOM 358 CA GLY A 23 9.913 -3.020 -14.713 1.00 0.00 C ATOM 359 C GLY A 23 11.278 -3.662 -14.560 1.00 0.00 C ATOM 360 O GLY A 23 11.894 -4.069 -15.545 1.00 0.00 O ATOM 0 H GLY A 23 10.235 -1.276 -13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.226 -3.456 -13.988 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.517 -3.246 -15.703 1.00 0.00 H new ATOM 364 N GLY A 24 11.752 -3.751 -13.321 1.00 0.00 N ATOM 365 CA GLY A 24 13.050 -4.348 -13.063 1.00 0.00 C ATOM 366 C GLY A 24 14.027 -3.367 -12.446 1.00 0.00 C ATOM 367 O GLY A 24 14.565 -2.499 -13.135 1.00 0.00 O ATOM 0 H GLY A 24 11.260 -3.420 -12.491 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.928 -5.202 -12.397 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.463 -4.729 -13.997 1.00 0.00 H new ATOM 371 N GLY A 25 14.256 -3.502 -11.143 1.00 0.00 N ATOM 372 CA GLY A 25 15.175 -2.614 -10.455 1.00 0.00 C ATOM 373 C GLY A 25 14.566 -2.006 -9.205 1.00 0.00 C ATOM 374 O GLY A 25 14.197 -2.723 -8.275 1.00 0.00 O ATOM 0 H GLY A 25 13.821 -4.211 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.076 -3.166 -10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.480 -1.816 -11.132 1.00 0.00 H new ATOM 378 N ARG A 26 14.463 -0.681 -9.184 1.00 0.00 N ATOM 379 CA ARG A 26 13.894 0.022 -8.040 1.00 0.00 C ATOM 380 C ARG A 26 12.410 -0.293 -7.888 1.00 0.00 C ATOM 381 O ARG A 26 11.875 -0.276 -6.784 1.00 0.00 O ATOM 382 CB ARG A 26 14.089 1.533 -8.193 1.00 0.00 C ATOM 383 CG ARG A 26 13.481 2.099 -9.466 1.00 0.00 C ATOM 384 CD ARG A 26 13.467 3.619 -9.448 1.00 0.00 C ATOM 385 NE ARG A 26 14.742 4.175 -9.000 1.00 0.00 N ATOM 386 CZ ARG A 26 15.817 4.288 -9.776 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.776 3.884 -11.040 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.935 4.806 -9.289 1.00 0.00 N ATOM 0 H ARG A 26 14.766 -0.073 -9.945 1.00 0.00 H new ATOM 0 HA ARG A 26 14.414 -0.318 -7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.647 2.037 -7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.156 1.757 -8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.049 1.749 -10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.463 1.726 -9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.241 3.991 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.670 3.966 -8.791 1.00 0.00 H new ATOM 0 HE ARG A 26 14.812 4.496 -8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.918 3.485 -11.420 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.603 3.973 -11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.972 5.118 -8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.759 4.892 -9.884 1.00 0.00 H new ATOM 402 N ILE A 27 11.753 -0.566 -9.009 1.00 0.00 N ATOM 403 CA ILE A 27 10.328 -0.879 -9.019 1.00 0.00 C ATOM 404 C ILE A 27 10.024 -2.214 -8.333 1.00 0.00 C ATOM 405 O ILE A 27 8.976 -2.370 -7.713 1.00 0.00 O ATOM 406 CB ILE A 27 9.777 -0.915 -10.461 1.00 0.00 C ATOM 407 CG1 ILE A 27 9.993 0.436 -11.145 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.297 -1.276 -10.464 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.289 0.530 -11.919 1.00 0.00 C ATOM 0 H ILE A 27 12.189 -0.577 -9.931 1.00 0.00 H new ATOM 0 HA ILE A 27 9.836 -0.084 -8.459 1.00 0.00 H new ATOM 0 HB ILE A 27 10.319 -1.681 -11.016 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.161 0.626 -11.823 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.974 1.222 -10.390 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.929 -1.296 -11.490 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.161 -2.258 -10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.740 -0.533 -9.893 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.370 1.517 -12.375 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.129 0.373 -11.242 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.303 -0.232 -12.698 1.00 0.00 H new ATOM 421 N GLU A 28 10.927 -3.180 -8.475 1.00 0.00 N ATOM 422 CA GLU A 28 10.730 -4.509 -7.891 1.00 0.00 C ATOM 423 C GLU A 28 10.687 -4.474 -6.361 1.00 0.00 C ATOM 424 O GLU A 28 9.815 -5.083 -5.743 1.00 0.00 O ATOM 425 CB GLU A 28 11.840 -5.455 -8.353 1.00 0.00 C ATOM 426 CG GLU A 28 11.744 -5.833 -9.822 1.00 0.00 C ATOM 427 CD GLU A 28 11.098 -7.188 -10.034 1.00 0.00 C ATOM 428 OE1 GLU A 28 11.593 -8.179 -9.456 1.00 0.00 O ATOM 429 OE2 GLU A 28 10.097 -7.259 -10.777 1.00 0.00 O1- ATOM 0 H GLU A 28 11.802 -3.071 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 28 9.763 -4.871 -8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.806 -4.985 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.807 -6.362 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.169 -5.074 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.743 -5.839 -10.258 1.00 0.00 H new ATOM 436 N GLU A 29 11.640 -3.776 -5.759 1.00 0.00 N ATOM 437 CA GLU A 29 11.720 -3.677 -4.303 1.00 0.00 C ATOM 438 C GLU A 29 10.527 -2.920 -3.719 1.00 0.00 C ATOM 439 O GLU A 29 10.028 -3.257 -2.645 1.00 0.00 O ATOM 440 CB GLU A 29 13.022 -2.987 -3.893 1.00 0.00 C ATOM 441 CG GLU A 29 14.245 -3.504 -4.633 1.00 0.00 C ATOM 442 CD GLU A 29 15.545 -3.102 -3.965 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.978 -1.947 -4.158 1.00 0.00 O ATOM 444 OE2 GLU A 29 16.129 -3.942 -3.249 1.00 0.00 O1- ATOM 0 H GLU A 29 12.372 -3.268 -6.255 1.00 0.00 H new ATOM 0 HA GLU A 29 11.701 -4.691 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.927 -1.916 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.173 -3.121 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.194 -4.591 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.234 -3.125 -5.655 1.00 0.00 H new ATOM 451 N LEU A 30 10.101 -1.881 -4.420 1.00 0.00 N ATOM 452 CA LEU A 30 8.995 -1.040 -3.978 1.00 0.00 C ATOM 453 C LEU A 30 7.710 -1.842 -3.763 1.00 0.00 C ATOM 454 O LEU A 30 7.034 -1.681 -2.748 1.00 0.00 O ATOM 455 CB LEU A 30 8.753 0.047 -5.024 1.00 0.00 C ATOM 456 CG LEU A 30 8.484 1.444 -4.472 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.783 2.107 -4.044 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.770 2.287 -5.516 1.00 0.00 C ATOM 0 H LEU A 30 10.510 -1.596 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 30 9.266 -0.599 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.623 0.096 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.905 -0.250 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 30 7.842 1.358 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.572 3.102 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.260 1.506 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.450 2.188 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.582 3.282 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.393 2.368 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.822 1.816 -5.777 1.00 0.00 H new ATOM 470 N LYS A 31 7.379 -2.699 -4.720 1.00 0.00 N ATOM 471 CA LYS A 31 6.169 -3.516 -4.624 1.00 0.00 C ATOM 472 C LYS A 31 6.272 -4.521 -3.484 1.00 0.00 C ATOM 473 O LYS A 31 5.273 -4.838 -2.841 1.00 0.00 O ATOM 474 CB LYS A 31 5.844 -4.239 -5.941 1.00 0.00 C ATOM 475 CG LYS A 31 6.941 -4.185 -6.991 1.00 0.00 C ATOM 476 CD LYS A 31 6.684 -5.175 -8.116 1.00 0.00 C ATOM 477 CE LYS A 31 7.389 -6.499 -7.867 1.00 0.00 C ATOM 478 NZ LYS A 31 8.002 -7.044 -9.109 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.925 -2.849 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 31 5.349 -2.829 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.625 -5.284 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.937 -3.805 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.006 -3.177 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.902 -4.403 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.612 -5.346 -8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.027 -4.751 -9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.162 -6.362 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.676 -7.220 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.414 -7.978 -8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.273 -7.135 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.748 -6.400 -9.439 1.00 0.00 H new ATOM 492 N LYS A 32 7.476 -5.030 -3.242 1.00 0.00 N ATOM 493 CA LYS A 32 7.690 -6.009 -2.180 1.00 0.00 C ATOM 494 C LYS A 32 7.223 -5.458 -0.835 1.00 0.00 C ATOM 495 O LYS A 32 6.617 -6.175 -0.038 1.00 0.00 O ATOM 496 CB LYS A 32 9.168 -6.394 -2.102 1.00 0.00 C ATOM 497 CG LYS A 32 9.643 -7.226 -3.282 1.00 0.00 C ATOM 498 CD LYS A 32 11.131 -7.521 -3.192 1.00 0.00 C ATOM 499 CE LYS A 32 11.619 -8.293 -4.408 1.00 0.00 C ATOM 500 NZ LYS A 32 12.773 -9.175 -4.079 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.316 -4.782 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 32 7.104 -6.898 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.769 -5.486 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.342 -6.952 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.087 -8.163 -3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.432 -6.696 -4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.684 -6.586 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.335 -8.095 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.803 -8.896 -4.807 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.909 -7.592 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.076 -9.684 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.561 -8.597 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.489 -9.861 -3.350 1.00 0.00 H new ATOM 514 N LYS A 33 7.492 -4.180 -0.599 1.00 0.00 N ATOM 515 CA LYS A 33 7.084 -3.530 0.641 1.00 0.00 C ATOM 516 C LYS A 33 5.566 -3.435 0.711 1.00 0.00 C ATOM 517 O LYS A 33 4.972 -3.554 1.783 1.00 0.00 O ATOM 518 CB LYS A 33 7.703 -2.133 0.743 1.00 0.00 C ATOM 519 CG LYS A 33 7.634 -1.540 2.140 1.00 0.00 C ATOM 520 CD LYS A 33 8.934 -0.847 2.518 1.00 0.00 C ATOM 521 CE LYS A 33 10.017 -1.851 2.874 1.00 0.00 C ATOM 522 NZ LYS A 33 9.847 -2.385 4.254 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.991 -3.573 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 33 7.439 -4.130 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.746 -2.182 0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.192 -1.466 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.812 -0.826 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.418 -2.329 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.271 -0.226 1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.760 -0.182 3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.997 -2.675 2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.995 -1.377 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.606 -3.067 4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.892 -1.602 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.925 -2.860 4.331 1.00 0.00 H new ATOM 536 N TYR A 34 4.945 -3.222 -0.444 1.00 0.00 N ATOM 537 CA TYR A 34 3.496 -3.109 -0.528 1.00 0.00 C ATOM 538 C TYR A 34 2.816 -4.354 0.039 1.00 0.00 C ATOM 539 O TYR A 34 1.780 -4.258 0.691 1.00 0.00 O ATOM 540 CB TYR A 34 3.064 -2.880 -1.977 1.00 0.00 C ATOM 541 CG TYR A 34 2.217 -1.644 -2.163 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.858 -1.662 -1.886 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.780 -0.457 -2.612 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.082 -0.533 -2.054 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.011 0.677 -2.780 1.00 0.00 C ATOM 546 CZ TYR A 34 0.663 0.635 -2.501 1.00 0.00 C ATOM 547 OH TYR A 34 -0.103 1.767 -2.665 1.00 0.00 O ATOM 0 H TYR A 34 5.426 -3.124 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 34 3.187 -2.252 0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.952 -2.801 -2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.505 -3.750 -2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.400 -2.574 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.836 -0.420 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.975 -0.564 -1.836 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.464 1.593 -3.129 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.034 1.568 -2.433 1.00 0.00 H new ATOM 557 N GLU A 35 3.407 -5.523 -0.204 1.00 0.00 N ATOM 558 CA GLU A 35 2.852 -6.776 0.298 1.00 0.00 C ATOM 559 C GLU A 35 2.676 -6.702 1.811 1.00 0.00 C ATOM 560 O GLU A 35 1.678 -7.172 2.357 1.00 0.00 O ATOM 561 CB GLU A 35 3.763 -7.949 -0.068 1.00 0.00 C ATOM 562 CG GLU A 35 3.617 -8.406 -1.510 1.00 0.00 C ATOM 563 CD GLU A 35 2.487 -9.400 -1.693 1.00 0.00 C ATOM 564 OE1 GLU A 35 1.321 -9.028 -1.438 1.00 0.00 O ATOM 565 OE2 GLU A 35 2.765 -10.550 -2.094 1.00 0.00 O1- ATOM 0 H GLU A 35 4.266 -5.627 -0.743 1.00 0.00 H new ATOM 0 HA GLU A 35 1.878 -6.935 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.799 -7.663 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.546 -8.787 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.440 -7.539 -2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.552 -8.859 -1.841 1.00 0.00 H new ATOM 572 N GLU A 36 3.648 -6.089 2.475 1.00 0.00 N ATOM 573 CA GLU A 36 3.610 -5.923 3.921 1.00 0.00 C ATOM 574 C GLU A 36 2.371 -5.133 4.327 1.00 0.00 C ATOM 575 O GLU A 36 1.758 -5.401 5.359 1.00 0.00 O ATOM 576 CB GLU A 36 4.871 -5.209 4.412 1.00 0.00 C ATOM 577 CG GLU A 36 5.365 -5.704 5.762 1.00 0.00 C ATOM 578 CD GLU A 36 5.054 -4.737 6.887 1.00 0.00 C ATOM 579 OE1 GLU A 36 4.024 -4.035 6.800 1.00 0.00 O ATOM 580 OE2 GLU A 36 5.840 -4.682 7.856 1.00 0.00 O1- ATOM 0 H GLU A 36 4.478 -5.696 2.030 1.00 0.00 H new ATOM 0 HA GLU A 36 3.567 -6.910 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.663 -5.340 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.670 -4.140 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.908 -6.669 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.442 -5.865 5.714 1.00 0.00 H new ATOM 587 N LEU A 37 2.021 -4.148 3.505 1.00 0.00 N ATOM 588 CA LEU A 37 0.868 -3.298 3.762 1.00 0.00 C ATOM 589 C LEU A 37 -0.416 -4.115 3.869 1.00 0.00 C ATOM 590 O LEU A 37 -1.225 -3.897 4.767 1.00 0.00 O ATOM 591 CB LEU A 37 0.733 -2.280 2.629 1.00 0.00 C ATOM 592 CG LEU A 37 0.829 -0.814 3.036 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.517 -0.304 3.523 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.899 -0.612 4.098 1.00 0.00 C ATOM 0 H LEU A 37 2.526 -3.919 2.649 1.00 0.00 H new ATOM 0 HA LEU A 37 1.022 -2.789 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.508 -2.483 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.227 -2.438 2.137 1.00 0.00 H new ATOM 0 HG LEU A 37 1.116 -0.237 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.427 0.744 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.253 -0.401 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.837 -0.889 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.947 0.442 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.653 -1.204 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.865 -0.930 3.706 1.00 0.00 H new ATOM 606 N LYS A 38 -0.597 -5.050 2.946 1.00 0.00 N ATOM 607 CA LYS A 38 -1.786 -5.898 2.934 1.00 0.00 C ATOM 608 C LYS A 38 -1.970 -6.608 4.273 1.00 0.00 C ATOM 609 O LYS A 38 -3.090 -6.748 4.763 1.00 0.00 O ATOM 610 CB LYS A 38 -1.690 -6.928 1.808 1.00 0.00 C ATOM 611 CG LYS A 38 -1.508 -6.310 0.431 1.00 0.00 C ATOM 612 CD LYS A 38 -2.825 -5.797 -0.131 1.00 0.00 C ATOM 613 CE LYS A 38 -3.295 -6.638 -1.308 1.00 0.00 C ATOM 614 NZ LYS A 38 -2.378 -6.522 -2.475 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.064 -5.242 2.194 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.652 -5.259 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.854 -7.598 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.594 -7.538 1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.793 -5.489 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.086 -7.051 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.584 -5.808 0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.708 -4.760 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.364 -7.682 -1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.297 -6.324 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.590 -7.275 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.509 -5.595 -2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.393 -6.614 -2.153 1.00 0.00 H new ATOM 628 N LYS A 39 -0.863 -7.062 4.851 1.00 0.00 N ATOM 629 CA LYS A 39 -0.890 -7.767 6.128 1.00 0.00 C ATOM 630 C LYS A 39 -1.405 -6.873 7.254 1.00 0.00 C ATOM 631 O LYS A 39 -2.112 -7.339 8.144 1.00 0.00 O ATOM 632 CB LYS A 39 0.509 -8.282 6.474 1.00 0.00 C ATOM 633 CG LYS A 39 0.760 -9.711 6.015 1.00 0.00 C ATOM 634 CD LYS A 39 1.892 -9.788 5.000 1.00 0.00 C ATOM 635 CE LYS A 39 1.404 -10.309 3.657 1.00 0.00 C ATOM 636 NZ LYS A 39 0.351 -9.435 3.071 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.070 -6.953 4.453 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.575 -8.609 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.252 -7.627 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.652 -8.225 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.002 -10.333 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.151 -10.117 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.332 -8.800 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.679 -10.440 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.245 -10.377 2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.011 -11.318 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.130 -9.756 2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.507 -9.484 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.693 -8.453 3.039 1.00 0.00 H new ATOM 650 N LYS A 40 -1.034 -5.596 7.219 1.00 0.00 N ATOM 651 CA LYS A 40 -1.450 -4.645 8.249 1.00 0.00 C ATOM 652 C LYS A 40 -2.968 -4.484 8.280 1.00 0.00 C ATOM 653 O LYS A 40 -3.569 -4.374 9.349 1.00 0.00 O ATOM 654 CB LYS A 40 -0.786 -3.287 8.012 1.00 0.00 C ATOM 655 CG LYS A 40 -0.248 -2.643 9.279 1.00 0.00 C ATOM 656 CD LYS A 40 1.023 -1.855 9.008 1.00 0.00 C ATOM 657 CE LYS A 40 2.258 -2.737 9.105 1.00 0.00 C ATOM 658 NZ LYS A 40 3.501 -1.990 8.770 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.446 -5.194 6.489 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.133 -5.039 9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.032 -3.411 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.509 -2.614 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.004 -1.981 9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.048 -3.414 10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.971 -1.409 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.103 -1.035 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.338 -3.140 10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.152 -3.586 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.009 -2.485 8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.255 -1.030 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.109 -1.932 9.612 1.00 0.00 H new ATOM 672 N ILE A 41 -3.579 -4.473 7.103 1.00 0.00 N ATOM 673 CA ILE A 41 -5.026 -4.330 6.987 1.00 0.00 C ATOM 674 C ILE A 41 -5.728 -5.537 7.593 1.00 0.00 C ATOM 675 O ILE A 41 -6.799 -5.419 8.189 1.00 0.00 O ATOM 676 CB ILE A 41 -5.461 -4.174 5.515 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.686 -3.035 4.850 1.00 0.00 C ATOM 678 CG2 ILE A 41 -6.961 -3.927 5.420 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.803 -3.025 3.342 1.00 0.00 C ATOM 0 H ILE A 41 -3.093 -4.562 6.210 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.310 -3.429 7.531 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.235 -5.101 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.047 -2.084 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.634 -3.113 5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.247 -3.820 4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.497 -4.769 5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.215 -3.015 5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.229 -2.191 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.415 -3.961 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.850 -2.915 3.059 1.00 0.00 H new ATOM 691 N GLU A 42 -5.104 -6.695 7.441 1.00 0.00 N ATOM 692 CA GLU A 42 -5.640 -7.938 7.971 1.00 0.00 C ATOM 693 C GLU A 42 -5.703 -7.888 9.494 1.00 0.00 C ATOM 694 O GLU A 42 -6.594 -8.471 10.111 1.00 0.00 O ATOM 695 CB GLU A 42 -4.777 -9.119 7.515 1.00 0.00 C ATOM 696 CG GLU A 42 -5.517 -10.105 6.627 1.00 0.00 C ATOM 697 CD GLU A 42 -5.946 -11.354 7.374 1.00 0.00 C ATOM 698 OE1 GLU A 42 -6.794 -11.240 8.283 1.00 0.00 O1- ATOM 699 OE2 GLU A 42 -5.433 -12.445 7.049 1.00 0.00 O ATOM 0 H GLU A 42 -4.216 -6.799 6.949 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.652 -8.071 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.909 -8.738 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.401 -9.644 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.396 -9.619 6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.877 -10.388 5.792 1.00 0.00 H new ATOM 706 N GLU A 43 -4.740 -7.195 10.094 1.00 0.00 N ATOM 707 CA GLU A 43 -4.669 -7.074 11.546 1.00 0.00 C ATOM 708 C GLU A 43 -5.825 -6.243 12.097 1.00 0.00 C ATOM 709 O GLU A 43 -6.492 -6.649 13.048 1.00 0.00 O ATOM 710 CB GLU A 43 -3.333 -6.449 11.958 1.00 0.00 C ATOM 711 CG GLU A 43 -2.401 -7.420 12.665 1.00 0.00 C ATOM 712 CD GLU A 43 -2.258 -7.120 14.144 1.00 0.00 C ATOM 713 OE1 GLU A 43 -2.084 -5.935 14.496 1.00 0.00 O ATOM 714 OE2 GLU A 43 -2.322 -8.072 14.952 1.00 0.00 O1- ATOM 0 H GLU A 43 -3.996 -6.707 9.595 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.746 -8.076 11.967 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.834 -6.060 11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.525 -5.600 12.614 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.777 -8.435 12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.419 -7.383 12.194 1.00 0.00 H new ATOM 721 N LEU A 44 -6.053 -5.077 11.503 1.00 0.00 N ATOM 722 CA LEU A 44 -7.124 -4.193 11.949 1.00 0.00 C ATOM 723 C LEU A 44 -8.483 -4.882 11.841 1.00 0.00 C ATOM 724 O LEU A 44 -8.800 -5.499 10.824 1.00 0.00 O ATOM 725 CB LEU A 44 -7.118 -2.892 11.138 1.00 0.00 C ATOM 726 CG LEU A 44 -7.839 -2.952 9.786 1.00 0.00 C ATOM 727 CD1 LEU A 44 -9.262 -2.430 9.918 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.073 -2.158 8.739 1.00 0.00 C ATOM 0 H LEU A 44 -5.513 -4.722 10.714 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.949 -3.952 12.997 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.577 -2.107 11.740 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.083 -2.597 10.965 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.883 -3.992 9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.759 -2.480 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.808 -3.040 10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.240 -1.396 10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.599 -2.211 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.998 -1.117 9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.073 -2.576 8.626 1.00 0.00 H new ATOM 740 N GLY A 45 -9.281 -4.770 12.898 1.00 0.00 N ATOM 741 CA GLY A 45 -10.596 -5.384 12.905 1.00 0.00 C ATOM 742 C GLY A 45 -11.713 -4.361 12.859 1.00 0.00 C ATOM 743 O GLY A 45 -12.810 -4.649 12.381 1.00 0.00 O ATOM 0 H GLY A 45 -9.040 -4.264 13.751 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.685 -6.054 12.050 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.704 -5.995 13.801 1.00 0.00 H new ATOM 747 N GLY A 46 -11.433 -3.160 13.356 1.00 0.00 N ATOM 748 CA GLY A 46 -12.431 -2.107 13.361 1.00 0.00 C ATOM 749 C GLY A 46 -11.926 -0.833 14.009 1.00 0.00 C ATOM 750 O GLY A 46 -10.721 -0.655 14.187 1.00 0.00 O ATOM 0 H GLY A 46 -10.532 -2.898 13.756 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.735 -1.894 12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.318 -2.454 13.891 1.00 0.00 H new ATOM 754 N GLY A 47 -12.849 0.055 14.364 1.00 0.00 N ATOM 755 CA GLY A 47 -12.471 1.307 14.992 1.00 0.00 C ATOM 756 C GLY A 47 -11.841 2.280 14.015 1.00 0.00 C ATOM 757 O GLY A 47 -11.995 2.139 12.802 1.00 0.00 O ATOM 0 H GLY A 47 -13.852 -0.070 14.228 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.353 1.766 15.439 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.770 1.106 15.802 1.00 0.00 H new ATOM 761 N GLY A 48 -11.131 3.271 14.545 1.00 0.00 N ATOM 762 CA GLY A 48 -10.488 4.257 13.696 1.00 0.00 C ATOM 763 C GLY A 48 -9.054 3.892 13.364 1.00 0.00 C ATOM 764 O GLY A 48 -8.161 4.737 13.423 1.00 0.00 O ATOM 0 H GLY A 48 -10.990 3.409 15.546 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.056 4.361 12.772 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.507 5.227 14.193 1.00 0.00 H new ATOM 768 N GLU A 49 -8.834 2.629 13.012 1.00 0.00 N ATOM 769 CA GLU A 49 -7.500 2.153 12.667 1.00 0.00 C ATOM 770 C GLU A 49 -7.310 2.116 11.154 1.00 0.00 C ATOM 771 O GLU A 49 -6.197 2.278 10.653 1.00 0.00 O ATOM 772 CB GLU A 49 -7.263 0.762 13.258 1.00 0.00 C ATOM 773 CG GLU A 49 -5.888 0.193 12.947 1.00 0.00 C ATOM 774 CD GLU A 49 -4.974 0.183 14.156 1.00 0.00 C ATOM 775 OE1 GLU A 49 -4.764 1.261 14.752 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -4.468 -0.903 14.509 1.00 0.00 O ATOM 0 H GLU A 49 -9.563 1.917 12.958 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.773 2.847 13.089 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.391 0.810 14.339 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.023 0.080 12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.997 -0.824 12.570 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.427 0.780 12.153 1.00 0.00 H new ATOM 783 N VAL A 50 -8.405 1.900 10.431 1.00 0.00 N ATOM 784 CA VAL A 50 -8.363 1.840 8.973 1.00 0.00 C ATOM 785 C VAL A 50 -7.730 3.097 8.384 1.00 0.00 C ATOM 786 O VAL A 50 -7.119 3.052 7.318 1.00 0.00 O ATOM 787 CB VAL A 50 -9.772 1.662 8.374 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.224 0.216 8.495 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.764 2.597 9.049 1.00 0.00 C ATOM 0 H VAL A 50 -9.333 1.763 10.831 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.753 0.974 8.714 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.731 1.919 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.221 0.109 8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.528 -0.429 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.248 -0.071 9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.752 2.456 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.804 2.376 10.116 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.447 3.630 8.904 1.00 0.00 H new ATOM 799 N LYS A 51 -7.887 4.217 9.083 1.00 0.00 N ATOM 800 CA LYS A 51 -7.334 5.487 8.626 1.00 0.00 C ATOM 801 C LYS A 51 -5.808 5.477 8.690 1.00 0.00 C ATOM 802 O LYS A 51 -5.140 6.099 7.864 1.00 0.00 O ATOM 803 CB LYS A 51 -7.886 6.639 9.470 1.00 0.00 C ATOM 804 CG LYS A 51 -8.904 7.497 8.735 1.00 0.00 C ATOM 805 CD LYS A 51 -10.062 6.662 8.213 1.00 0.00 C ATOM 806 CE LYS A 51 -11.022 7.499 7.383 1.00 0.00 C ATOM 807 NZ LYS A 51 -10.615 7.556 5.951 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.392 4.271 9.967 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.631 5.630 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.348 6.231 10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.058 7.270 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.283 8.268 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.418 8.008 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.677 5.841 7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.597 6.216 9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.026 7.081 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.066 8.510 7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.361 8.533 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.795 6.935 5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.405 7.240 5.353 1.00 0.00 H new ATOM 821 N LYS A 52 -5.264 4.773 9.675 1.00 0.00 N ATOM 822 CA LYS A 52 -3.817 4.688 9.846 1.00 0.00 C ATOM 823 C LYS A 52 -3.174 3.903 8.706 1.00 0.00 C ATOM 824 O LYS A 52 -2.056 4.202 8.287 1.00 0.00 O ATOM 825 CB LYS A 52 -3.479 4.029 11.185 1.00 0.00 C ATOM 826 CG LYS A 52 -3.513 4.991 12.362 1.00 0.00 C ATOM 827 CD LYS A 52 -2.118 5.462 12.738 1.00 0.00 C ATOM 828 CE LYS A 52 -1.946 5.552 14.246 1.00 0.00 C ATOM 829 NZ LYS A 52 -2.009 6.959 14.730 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.802 4.252 10.368 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.418 5.702 9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.183 3.218 11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.487 3.582 11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.133 5.852 12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.976 4.502 13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.378 4.775 12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.930 6.438 12.291 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.723 4.965 14.736 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.989 5.113 14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.887 6.977 15.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.252 7.514 14.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.932 7.370 14.483 1.00 0.00 H new ATOM 843 N VAL A 53 -3.888 2.899 8.209 1.00 0.00 N ATOM 844 CA VAL A 53 -3.392 2.069 7.118 1.00 0.00 C ATOM 845 C VAL A 53 -3.305 2.859 5.816 1.00 0.00 C ATOM 846 O VAL A 53 -2.374 2.683 5.033 1.00 0.00 O ATOM 847 CB VAL A 53 -4.286 0.835 6.897 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.659 -0.109 5.880 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.543 0.121 8.216 1.00 0.00 C ATOM 0 H VAL A 53 -4.815 2.640 8.546 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.394 1.739 7.405 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.244 1.170 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.307 -0.974 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.535 0.410 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.686 -0.440 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.176 -0.749 8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.595 -0.201 8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.042 0.801 8.906 1.00 0.00 H new ATOM 859 N GLU A 54 -4.287 3.719 5.585 1.00 0.00 N ATOM 860 CA GLU A 54 -4.325 4.531 4.374 1.00 0.00 C ATOM 861 C GLU A 54 -3.169 5.526 4.337 1.00 0.00 C ATOM 862 O GLU A 54 -2.669 5.868 3.268 1.00 0.00 O ATOM 863 CB GLU A 54 -5.658 5.277 4.280 1.00 0.00 C ATOM 864 CG GLU A 54 -6.861 4.360 4.133 1.00 0.00 C ATOM 865 CD GLU A 54 -8.171 5.121 4.078 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.355 6.046 4.896 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.012 4.793 3.216 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.070 3.874 6.221 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.225 3.862 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.786 5.889 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.625 5.957 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.752 3.766 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.885 3.662 4.970 1.00 0.00 H new ATOM 874 N GLU A 55 -2.764 6.003 5.509 1.00 0.00 N ATOM 875 CA GLU A 55 -1.677 6.976 5.614 1.00 0.00 C ATOM 876 C GLU A 55 -0.314 6.363 5.280 1.00 0.00 C ATOM 877 O GLU A 55 0.540 7.024 4.691 1.00 0.00 O ATOM 878 CB GLU A 55 -1.640 7.573 7.022 1.00 0.00 C ATOM 879 CG GLU A 55 -2.962 8.182 7.460 1.00 0.00 C ATOM 880 CD GLU A 55 -2.789 9.535 8.123 1.00 0.00 C ATOM 881 OE1 GLU A 55 -2.259 10.456 7.465 1.00 0.00 O ATOM 882 OE2 GLU A 55 -3.184 9.675 9.299 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.172 5.732 6.404 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.875 7.759 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.356 6.795 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.866 8.339 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.614 8.287 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.459 7.503 8.153 1.00 0.00 H new ATOM 889 N GLU A 56 -0.102 5.115 5.684 1.00 0.00 N ATOM 890 CA GLU A 56 1.175 4.440 5.448 1.00 0.00 C ATOM 891 C GLU A 56 1.407 4.134 3.966 1.00 0.00 C ATOM 892 O GLU A 56 2.527 4.251 3.472 1.00 0.00 O ATOM 893 CB GLU A 56 1.252 3.150 6.267 1.00 0.00 C ATOM 894 CG GLU A 56 0.107 2.187 6.006 1.00 0.00 C ATOM 895 CD GLU A 56 0.402 0.784 6.498 1.00 0.00 C ATOM 896 OE1 GLU A 56 1.582 0.489 6.782 1.00 0.00 O ATOM 897 OE2 GLU A 56 -0.548 -0.021 6.601 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.794 4.549 6.175 1.00 0.00 H new ATOM 0 HA GLU A 56 1.962 5.123 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.194 2.647 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.266 3.404 7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.794 2.558 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.101 2.157 4.936 1.00 0.00 H new ATOM 904 N VAL A 57 0.353 3.732 3.267 1.00 0.00 N ATOM 905 CA VAL A 57 0.455 3.399 1.847 1.00 0.00 C ATOM 906 C VAL A 57 0.699 4.640 0.988 1.00 0.00 C ATOM 907 O VAL A 57 1.402 4.579 -0.021 1.00 0.00 O ATOM 908 CB VAL A 57 -0.801 2.655 1.343 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.985 3.602 1.196 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.504 1.948 0.027 1.00 0.00 C ATOM 0 H VAL A 57 -0.583 3.628 3.658 1.00 0.00 H new ATOM 0 HA VAL A 57 1.315 2.736 1.748 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.072 1.905 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.853 3.047 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.214 4.051 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.737 4.386 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.398 1.428 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.202 2.682 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.301 1.228 0.174 1.00 0.00 H new ATOM 920 N LYS A 58 0.105 5.759 1.387 1.00 0.00 N ATOM 921 CA LYS A 58 0.243 7.012 0.650 1.00 0.00 C ATOM 922 C LYS A 58 1.712 7.381 0.447 1.00 0.00 C ATOM 923 O LYS A 58 2.075 7.975 -0.563 1.00 0.00 O ATOM 924 CB LYS A 58 -0.501 8.145 1.370 1.00 0.00 C ATOM 925 CG LYS A 58 0.237 8.708 2.576 1.00 0.00 C ATOM 926 CD LYS A 58 0.782 10.100 2.298 1.00 0.00 C ATOM 927 CE LYS A 58 0.808 10.954 3.556 1.00 0.00 C ATOM 928 NZ LYS A 58 -0.036 12.173 3.418 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.479 5.825 2.220 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.204 6.870 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.684 8.952 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.475 7.777 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.437 8.745 3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.057 8.042 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.790 10.022 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.168 10.587 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.457 10.364 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.835 11.246 3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.009 12.728 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.314 12.750 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.021 11.894 3.235 1.00 0.00 H new ATOM 942 N LYS A 59 2.551 7.037 1.415 1.00 0.00 N ATOM 943 CA LYS A 59 3.974 7.340 1.329 1.00 0.00 C ATOM 944 C LYS A 59 4.649 6.522 0.223 1.00 0.00 C ATOM 945 O LYS A 59 5.545 7.008 -0.462 1.00 0.00 O ATOM 946 CB LYS A 59 4.661 7.088 2.678 1.00 0.00 C ATOM 947 CG LYS A 59 4.986 5.627 2.951 1.00 0.00 C ATOM 948 CD LYS A 59 4.875 5.299 4.432 1.00 0.00 C ATOM 949 CE LYS A 59 6.206 5.478 5.143 1.00 0.00 C ATOM 950 NZ LYS A 59 6.276 6.775 5.872 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.272 6.549 2.267 1.00 0.00 H new ATOM 0 HA LYS A 59 4.077 8.395 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.584 7.667 2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.018 7.460 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.307 4.990 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.995 5.406 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.126 5.942 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.532 4.272 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.355 4.658 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.016 5.426 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.199 6.859 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.159 7.559 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.519 6.814 6.584 1.00 0.00 H new ATOM 964 N LEU A 60 4.221 5.272 0.071 1.00 0.00 N ATOM 965 CA LEU A 60 4.790 4.374 -0.934 1.00 0.00 C ATOM 966 C LEU A 60 4.614 4.910 -2.355 1.00 0.00 C ATOM 967 O LEU A 60 5.545 4.872 -3.158 1.00 0.00 O ATOM 968 CB LEU A 60 4.141 2.991 -0.820 1.00 0.00 C ATOM 969 CG LEU A 60 4.998 1.816 -1.299 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.608 2.108 -2.661 1.00 0.00 C ATOM 971 CD2 LEU A 60 6.083 1.495 -0.283 1.00 0.00 C ATOM 0 H LEU A 60 3.479 4.855 0.633 1.00 0.00 H new ATOM 0 HA LEU A 60 5.860 4.303 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.873 2.820 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.213 2.997 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 60 4.351 0.944 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.212 1.258 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.813 2.280 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.237 2.996 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.681 0.657 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.724 2.366 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.623 1.231 0.669 1.00 0.00 H new ATOM 983 N GLU A 61 3.417 5.394 -2.665 1.00 0.00 N ATOM 984 CA GLU A 61 3.128 5.916 -3.998 1.00 0.00 C ATOM 985 C GLU A 61 3.892 7.208 -4.278 1.00 0.00 C ATOM 986 O GLU A 61 4.285 7.469 -5.415 1.00 0.00 O ATOM 987 CB GLU A 61 1.624 6.144 -4.175 1.00 0.00 C ATOM 988 CG GLU A 61 1.026 7.099 -3.157 1.00 0.00 C ATOM 989 CD GLU A 61 1.300 8.554 -3.492 1.00 0.00 C ATOM 990 OE1 GLU A 61 0.917 8.989 -4.598 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 1.900 9.255 -2.651 1.00 0.00 O ATOM 0 H GLU A 61 2.632 5.436 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 61 3.461 5.168 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.440 6.533 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.110 5.185 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.051 6.939 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.432 6.874 -2.171 1.00 0.00 H new ATOM 998 N GLU A 62 4.098 8.018 -3.244 1.00 0.00 N ATOM 999 CA GLU A 62 4.812 9.281 -3.399 1.00 0.00 C ATOM 1000 C GLU A 62 6.222 9.037 -3.932 1.00 0.00 C ATOM 1001 O GLU A 62 6.714 9.783 -4.779 1.00 0.00 O ATOM 1002 CB GLU A 62 4.851 10.046 -2.067 1.00 0.00 C ATOM 1003 CG GLU A 62 6.112 9.821 -1.244 1.00 0.00 C ATOM 1004 CD GLU A 62 5.920 10.160 0.222 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.774 10.458 0.619 1.00 0.00 O ATOM 1006 OE2 GLU A 62 6.917 10.129 0.974 1.00 0.00 O1- ATOM 0 H GLU A 62 3.782 7.824 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 62 4.278 9.894 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.752 11.112 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.987 9.755 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.420 8.779 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.920 10.429 -1.651 1.00 0.00 H new ATOM 1013 N GLU A 63 6.862 7.981 -3.439 1.00 0.00 N ATOM 1014 CA GLU A 63 8.205 7.633 -3.879 1.00 0.00 C ATOM 1015 C GLU A 63 8.196 7.289 -5.361 1.00 0.00 C ATOM 1016 O GLU A 63 9.163 7.546 -6.077 1.00 0.00 O ATOM 1017 CB GLU A 63 8.749 6.453 -3.072 1.00 0.00 C ATOM 1018 CG GLU A 63 8.563 6.601 -1.573 1.00 0.00 C ATOM 1019 CD GLU A 63 9.122 7.907 -1.041 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.268 8.250 -1.400 1.00 0.00 O ATOM 1021 OE2 GLU A 63 8.415 8.586 -0.268 1.00 0.00 O1- ATOM 0 H GLU A 63 6.471 7.354 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 63 8.855 8.493 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.254 5.540 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.811 6.336 -3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.501 6.541 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.051 5.768 -1.066 1.00 0.00 H new ATOM 1028 N ILE A 64 7.091 6.707 -5.813 1.00 0.00 N ATOM 1029 CA ILE A 64 6.944 6.325 -7.214 1.00 0.00 C ATOM 1030 C ILE A 64 7.060 7.544 -8.127 1.00 0.00 C ATOM 1031 O ILE A 64 7.624 7.462 -9.217 1.00 0.00 O ATOM 1032 CB ILE A 64 5.590 5.633 -7.470 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.428 4.422 -6.549 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.470 5.213 -8.928 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.076 3.753 -6.664 1.00 0.00 C ATOM 0 H ILE A 64 6.283 6.489 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 64 7.748 5.624 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 64 4.793 6.344 -7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.206 3.694 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.582 4.737 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.508 4.727 -9.089 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.543 6.093 -9.567 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.273 4.518 -9.174 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.032 2.903 -5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.294 4.467 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.927 3.407 -7.687 1.00 0.00 H new ATOM 1047 N LYS A 65 6.522 8.670 -7.674 1.00 0.00 N ATOM 1048 CA LYS A 65 6.565 9.904 -8.451 1.00 0.00 C ATOM 1049 C LYS A 65 7.972 10.496 -8.465 1.00 0.00 C ATOM 1050 O LYS A 65 8.326 11.254 -9.369 1.00 0.00 O ATOM 1051 CB LYS A 65 5.577 10.923 -7.883 1.00 0.00 C ATOM 1052 CG LYS A 65 4.144 10.417 -7.832 1.00 0.00 C ATOM 1053 CD LYS A 65 3.232 11.397 -7.110 1.00 0.00 C ATOM 1054 CE LYS A 65 1.767 11.095 -7.377 1.00 0.00 C ATOM 1055 NZ LYS A 65 1.216 11.939 -8.474 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.051 8.755 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 65 6.283 9.665 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.892 11.200 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.613 11.828 -8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.777 10.257 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.116 9.452 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.424 11.352 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.460 12.413 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.655 10.043 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.191 11.261 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.215 11.702 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.299 12.943 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.749 11.762 -9.349 1.00 0.00 H new ATOM 1069 N LYS A 66 8.769 10.149 -7.459 1.00 0.00 N ATOM 1070 CA LYS A 66 10.135 10.650 -7.358 1.00 0.00 C ATOM 1071 C LYS A 66 11.076 9.885 -8.287 1.00 0.00 C ATOM 1072 O LYS A 66 12.142 10.384 -8.649 1.00 0.00 O ATOM 1073 CB LYS A 66 10.630 10.547 -5.915 1.00 0.00 C ATOM 1074 CG LYS A 66 9.819 11.375 -4.932 1.00 0.00 C ATOM 1075 CD LYS A 66 10.500 12.699 -4.624 1.00 0.00 C ATOM 1076 CE LYS A 66 9.490 13.830 -4.504 1.00 0.00 C ATOM 1077 NZ LYS A 66 10.134 15.109 -4.097 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.492 9.523 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 66 10.131 11.696 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.604 9.502 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.671 10.866 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.827 11.562 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.680 10.813 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.063 12.612 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.217 12.932 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.983 13.967 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.727 13.559 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.412 15.854 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.596 14.986 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.844 15.381 -4.806 1.00 0.00 H new ATOM 1091 N LEU A 67 10.680 8.674 -8.669 1.00 0.00 N ATOM 1092 CA LEU A 67 11.496 7.850 -9.553 1.00 0.00 C ATOM 1093 C LEU A 67 10.972 7.902 -10.986 1.00 0.00 C ATOM 1094 O LEU A 67 9.780 8.227 -11.168 1.00 0.00 O ATOM 1095 CB LEU A 67 11.529 6.401 -9.051 1.00 0.00 C ATOM 1096 CG LEU A 67 10.302 5.554 -9.399 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.440 4.957 -10.792 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.100 4.459 -8.363 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.759 7.618 -11.913 1.00 0.00 O ATOM 0 H LEU A 67 9.802 8.243 -8.381 1.00 0.00 H new ATOM 0 HA LEU A 67 12.511 8.248 -9.547 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.413 5.913 -9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.645 6.413 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 67 9.424 6.200 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.558 4.359 -11.020 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.534 5.759 -11.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.327 4.325 -10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.224 3.867 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.979 3.815 -8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.952 4.909 -7.382 1.00 0.00 H new