USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 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 Set 1.1: A 38 LYS NZ :NH3+ 165:sc= 1.06 (180deg=0.959) USER MOD Set 1.2: A 101 HTS O1 : rot 174:sc= 1.01 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0856 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.118 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+ 180:sc= 0 (180deg=0) 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+ -154:sc= -0.0251 (180deg=-0.259) USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= -0.226 (180deg=-1.29!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0428) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= -2.34 (180deg=-3.42!) 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 -9.257 -5.820 13.391 1.00 0.00 N ATOM 2 CA GLY A 1 -9.797 -4.846 12.403 1.00 0.00 C ATOM 3 C GLY A 1 -11.116 -5.295 11.807 1.00 0.00 C ATOM 4 O GLY A 1 -11.642 -6.348 12.168 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.224 -5.378 14.332 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.872 -6.658 13.424 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.298 -6.105 13.109 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.931 -3.879 12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.070 -4.704 11.603 1.00 0.00 H new ATOM 10 N SER A 2 -11.653 -4.495 10.892 1.00 0.00 N ATOM 11 CA SER A 2 -12.920 -4.816 10.245 1.00 0.00 C ATOM 12 C SER A 2 -12.962 -4.262 8.825 1.00 0.00 C ATOM 13 O SER A 2 -13.337 -4.964 7.886 1.00 0.00 O ATOM 14 CB SER A 2 -14.089 -4.256 11.058 1.00 0.00 C ATOM 15 OG SER A 2 -13.908 -4.494 12.443 1.00 0.00 O ATOM 0 H SER A 2 -11.231 -3.620 10.582 1.00 0.00 H new ATOM 0 HA SER A 2 -13.008 -5.901 10.195 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.180 -3.185 10.879 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.020 -4.715 10.726 1.00 0.00 H new ATOM 0 HG SER A 2 -14.668 -4.125 12.940 1.00 0.00 H new ATOM 21 N ARG A 3 -12.574 -3.000 8.674 1.00 0.00 N ATOM 22 CA ARG A 3 -12.568 -2.354 7.367 1.00 0.00 C ATOM 23 C ARG A 3 -11.397 -1.383 7.243 1.00 0.00 C ATOM 24 O ARG A 3 -10.428 -1.651 6.533 1.00 0.00 O ATOM 25 CB ARG A 3 -13.889 -1.616 7.132 1.00 0.00 C ATOM 26 CG ARG A 3 -14.515 -1.906 5.776 1.00 0.00 C ATOM 27 CD ARG A 3 -15.075 -0.646 5.134 1.00 0.00 C ATOM 28 NE ARG A 3 -16.530 -0.697 5.004 1.00 0.00 N ATOM 29 CZ ARG A 3 -17.373 -0.444 6.003 1.00 0.00 C ATOM 30 NH1 ARG A 3 -16.911 -0.126 7.206 1.00 0.00 N ATOM 31 NH2 ARG A 3 -18.681 -0.511 5.798 1.00 0.00 N ATOM 0 H ARG A 3 -12.260 -2.405 9.440 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.454 -3.128 6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.595 -1.893 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.717 -0.543 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.768 -2.349 5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.312 -2.640 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.795 0.221 5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.628 -0.512 4.149 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.923 -0.941 4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.905 -0.074 7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.562 0.067 7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.041 -0.756 4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -19.328 -0.317 6.563 1.00 0.00 H new ATOM 45 N VAL A 4 -11.493 -0.254 7.938 1.00 0.00 N ATOM 46 CA VAL A 4 -10.443 0.756 7.904 1.00 0.00 C ATOM 47 C VAL A 4 -9.321 0.423 8.882 1.00 0.00 C ATOM 48 O VAL A 4 -8.143 0.561 8.558 1.00 0.00 O ATOM 49 CB VAL A 4 -10.997 2.155 8.235 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.936 3.220 8.001 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.244 2.444 7.413 1.00 0.00 C ATOM 0 H VAL A 4 -12.288 -0.016 8.532 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.045 0.760 6.889 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.272 2.176 9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.346 4.201 8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.075 3.022 8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.626 3.201 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.621 3.436 7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.998 2.403 6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.008 1.699 7.637 1.00 0.00 H new ATOM 61 N LYS A 5 -9.695 -0.015 10.080 1.00 0.00 N ATOM 62 CA LYS A 5 -8.721 -0.365 11.104 1.00 0.00 C ATOM 63 C LYS A 5 -7.767 -1.447 10.606 1.00 0.00 C ATOM 64 O LYS A 5 -6.607 -1.504 11.016 1.00 0.00 O ATOM 65 CB LYS A 5 -9.439 -0.843 12.366 1.00 0.00 C ATOM 66 CG LYS A 5 -8.595 -0.736 13.622 1.00 0.00 C ATOM 67 CD LYS A 5 -8.424 0.710 14.057 1.00 0.00 C ATOM 68 CE LYS A 5 -7.039 0.958 14.632 1.00 0.00 C ATOM 69 NZ LYS A 5 -7.033 2.089 15.600 1.00 0.00 N ATOM 0 H LYS A 5 -10.667 -0.136 10.364 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.136 0.525 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.350 -0.259 12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.743 -1.881 12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.062 -1.306 14.425 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.616 -1.181 13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.589 1.369 13.205 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.179 0.958 14.803 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.685 0.054 15.128 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.342 1.171 13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.070 2.225 15.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.346 2.957 15.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.678 1.876 16.387 1.00 0.00 H new ATOM 83 N ALA A 6 -8.264 -2.304 9.722 1.00 0.00 N ATOM 84 CA ALA A 6 -7.460 -3.387 9.167 1.00 0.00 C ATOM 85 C ALA A 6 -6.609 -2.903 7.996 1.00 0.00 C ATOM 86 O ALA A 6 -5.567 -3.483 7.692 1.00 0.00 O ATOM 87 CB ALA A 6 -8.356 -4.536 8.730 1.00 0.00 C ATOM 0 H ALA A 6 -9.222 -2.270 9.373 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.785 -3.739 9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.744 -5.338 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.913 -4.910 9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.054 -4.185 7.970 1.00 0.00 H new ATOM 93 N LEU A 7 -7.066 -1.846 7.335 1.00 0.00 N ATOM 94 CA LEU A 7 -6.357 -1.287 6.188 1.00 0.00 C ATOM 95 C LEU A 7 -4.968 -0.782 6.576 1.00 0.00 C ATOM 96 O LEU A 7 -3.985 -1.056 5.888 1.00 0.00 O ATOM 97 CB LEU A 7 -7.172 -0.143 5.580 1.00 0.00 C ATOM 98 CG LEU A 7 -7.205 -0.108 4.051 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.235 0.899 3.563 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.828 0.224 3.497 1.00 0.00 C ATOM 0 H LEU A 7 -7.928 -1.356 7.574 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.232 -2.082 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.196 -0.212 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.766 0.802 5.941 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.492 -1.095 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.245 0.910 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.222 0.618 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.978 1.891 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.869 0.245 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.513 1.200 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.114 -0.534 3.819 1.00 0.00 H new ATOM 112 N GLU A 8 -4.897 -0.031 7.669 1.00 0.00 N ATOM 113 CA GLU A 8 -3.634 0.530 8.137 1.00 0.00 C ATOM 114 C GLU A 8 -2.625 -0.558 8.499 1.00 0.00 C ATOM 115 O GLU A 8 -1.420 -0.370 8.339 1.00 0.00 O ATOM 116 CB GLU A 8 -3.876 1.436 9.345 1.00 0.00 C ATOM 117 CG GLU A 8 -4.357 2.828 8.971 1.00 0.00 C ATOM 118 CD GLU A 8 -4.673 3.682 10.184 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.050 3.462 11.244 1.00 0.00 O ATOM 120 OE2 GLU A 8 -5.544 4.571 10.074 1.00 0.00 O ATOM 0 H GLU A 8 -5.702 0.204 8.250 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.213 1.114 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.613 0.969 9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.952 1.521 9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.593 3.323 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.247 2.745 8.348 1.00 0.00 H new ATOM 127 N GLU A 9 -3.116 -1.688 8.995 1.00 0.00 N ATOM 128 CA GLU A 9 -2.243 -2.793 9.385 1.00 0.00 C ATOM 129 C GLU A 9 -1.748 -3.579 8.168 1.00 0.00 C ATOM 130 O GLU A 9 -0.757 -4.305 8.251 1.00 0.00 O ATOM 131 CB GLU A 9 -2.971 -3.729 10.356 1.00 0.00 C ATOM 132 CG GLU A 9 -4.060 -4.569 9.707 1.00 0.00 C ATOM 133 CD GLU A 9 -4.244 -5.911 10.388 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.225 -6.539 10.748 1.00 0.00 O ATOM 135 OE2 GLU A 9 -5.406 -6.335 10.563 1.00 0.00 O ATOM 0 H GLU A 9 -4.111 -1.865 9.137 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.373 -2.365 9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.242 -4.393 10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.413 -3.134 11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.001 -4.020 9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.813 -4.729 8.657 1.00 0.00 H new ATOM 142 N LYS A 10 -2.454 -3.447 7.049 1.00 0.00 N ATOM 143 CA LYS A 10 -2.096 -4.162 5.827 1.00 0.00 C ATOM 144 C LYS A 10 -0.869 -3.555 5.149 1.00 0.00 C ATOM 145 O LYS A 10 0.069 -4.269 4.796 1.00 0.00 O ATOM 146 CB LYS A 10 -3.280 -4.164 4.856 1.00 0.00 C ATOM 147 CG LYS A 10 -3.852 -5.551 4.600 1.00 0.00 C ATOM 148 CD LYS A 10 -5.355 -5.596 4.840 1.00 0.00 C ATOM 149 CE LYS A 10 -6.115 -5.949 3.570 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.705 -4.745 2.923 1.00 0.00 N ATOM 0 H LYS A 10 -3.278 -2.852 6.963 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.847 -5.186 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.067 -3.523 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.963 -3.730 3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.639 -5.848 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.358 -6.273 5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.579 -6.330 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.694 -4.629 5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.442 -6.444 2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.907 -6.659 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.214 -5.028 2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.367 -4.286 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.947 -4.078 2.674 1.00 0.00 H new ATOM 164 N VAL A 11 -0.888 -2.241 4.954 1.00 0.00 N ATOM 165 CA VAL A 11 0.219 -1.549 4.299 1.00 0.00 C ATOM 166 C VAL A 11 1.426 -1.413 5.216 1.00 0.00 C ATOM 167 O VAL A 11 2.561 -1.367 4.752 1.00 0.00 O ATOM 168 CB VAL A 11 -0.198 -0.151 3.800 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.917 0.486 2.980 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.484 -0.233 2.990 1.00 0.00 C ATOM 0 H VAL A 11 -1.656 -1.633 5.239 1.00 0.00 H new ATOM 0 HA VAL A 11 0.496 -2.164 3.443 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.381 0.481 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.600 1.471 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.811 0.585 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.139 -0.143 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.762 0.763 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.331 -0.884 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.281 -0.638 3.613 1.00 0.00 H new ATOM 180 N LYS A 12 1.176 -1.344 6.514 1.00 0.00 N ATOM 181 CA LYS A 12 2.251 -1.214 7.492 1.00 0.00 C ATOM 182 C LYS A 12 3.171 -2.426 7.435 1.00 0.00 C ATOM 183 O LYS A 12 4.387 -2.304 7.577 1.00 0.00 O ATOM 184 CB LYS A 12 1.677 -1.056 8.901 1.00 0.00 C ATOM 185 CG LYS A 12 2.709 -0.634 9.934 1.00 0.00 C ATOM 186 CD LYS A 12 3.461 -1.832 10.496 1.00 0.00 C ATOM 187 CE LYS A 12 4.965 -1.619 10.448 1.00 0.00 C ATOM 188 NZ LYS A 12 5.429 -0.694 11.518 1.00 0.00 N ATOM 0 H LYS A 12 0.240 -1.376 6.917 1.00 0.00 H new ATOM 0 HA LYS A 12 2.830 -0.323 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.876 -0.317 8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.230 -2.001 9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.416 0.060 9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.215 -0.100 10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.150 -2.007 11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.201 -2.725 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.471 -2.579 10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.244 -1.217 9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.460 -0.575 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.966 0.230 11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.186 -1.090 12.449 1.00 0.00 H new ATOM 202 N ALA A 13 2.581 -3.592 7.200 1.00 0.00 N ATOM 203 CA ALA A 13 3.350 -4.827 7.092 1.00 0.00 C ATOM 204 C ALA A 13 3.940 -4.939 5.693 1.00 0.00 C ATOM 205 O ALA A 13 4.951 -5.606 5.472 1.00 0.00 O ATOM 206 CB ALA A 13 2.472 -6.031 7.402 1.00 0.00 C ATOM 0 H ALA A 13 1.575 -3.709 7.081 1.00 0.00 H new ATOM 0 HA ALA A 13 4.162 -4.807 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.062 -6.943 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.081 -5.945 8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.643 -6.068 6.696 1.00 0.00 H new ATOM 212 N LEU A 14 3.287 -4.261 4.760 1.00 0.00 N ATOM 213 CA LEU A 14 3.697 -4.232 3.368 1.00 0.00 C ATOM 214 C LEU A 14 5.043 -3.524 3.209 1.00 0.00 C ATOM 215 O LEU A 14 5.774 -3.763 2.248 1.00 0.00 O ATOM 216 CB LEU A 14 2.618 -3.515 2.554 1.00 0.00 C ATOM 217 CG LEU A 14 2.505 -3.939 1.088 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.055 -4.234 0.735 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.067 -2.864 0.170 1.00 0.00 C ATOM 0 H LEU A 14 2.450 -3.711 4.952 1.00 0.00 H new ATOM 0 HA LEU A 14 3.817 -5.253 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.655 -3.680 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.813 -2.443 2.590 1.00 0.00 H new ATOM 0 HG LEU A 14 3.091 -4.847 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.989 -4.534 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.683 -5.040 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.453 -3.340 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.976 -3.187 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.511 -1.937 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.118 -2.696 0.407 1.00 0.00 H new ATOM 231 N GLU A 15 5.353 -2.642 4.157 1.00 0.00 N ATOM 232 CA GLU A 15 6.596 -1.882 4.133 1.00 0.00 C ATOM 233 C GLU A 15 7.774 -2.737 4.594 1.00 0.00 C ATOM 234 O GLU A 15 8.843 -2.716 3.984 1.00 0.00 O ATOM 235 CB GLU A 15 6.456 -0.640 5.022 1.00 0.00 C ATOM 236 CG GLU A 15 7.764 0.097 5.266 1.00 0.00 C ATOM 237 CD GLU A 15 7.583 1.337 6.120 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.670 2.134 5.822 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.356 1.510 7.086 1.00 0.00 O ATOM 0 H GLU A 15 4.754 -2.437 4.956 1.00 0.00 H new ATOM 0 HA GLU A 15 6.793 -1.571 3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.745 0.046 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.035 -0.939 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.470 -0.575 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.202 0.380 4.309 1.00 0.00 H new ATOM 246 N GLU A 16 7.574 -3.486 5.674 1.00 0.00 N ATOM 247 CA GLU A 16 8.623 -4.345 6.215 1.00 0.00 C ATOM 248 C GLU A 16 9.203 -5.256 5.135 1.00 0.00 C ATOM 249 O GLU A 16 10.359 -5.671 5.216 1.00 0.00 O ATOM 250 CB GLU A 16 8.076 -5.189 7.369 1.00 0.00 C ATOM 251 CG GLU A 16 7.834 -4.394 8.642 1.00 0.00 C ATOM 252 CD GLU A 16 8.735 -4.826 9.782 1.00 0.00 C ATOM 253 OE1 GLU A 16 8.750 -6.034 10.102 1.00 0.00 O ATOM 254 OE2 GLU A 16 9.426 -3.958 10.355 1.00 0.00 O ATOM 0 H GLU A 16 6.696 -3.516 6.192 1.00 0.00 H new ATOM 0 HA GLU A 16 9.422 -3.703 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.141 -5.653 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.777 -5.996 7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.993 -3.335 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.793 -4.508 8.944 1.00 0.00 H new ATOM 261 N LYS A 17 8.393 -5.564 4.127 1.00 0.00 N ATOM 262 CA LYS A 17 8.828 -6.426 3.034 1.00 0.00 C ATOM 263 C LYS A 17 9.745 -5.677 2.071 1.00 0.00 C ATOM 264 O LYS A 17 10.849 -6.131 1.770 1.00 0.00 O ATOM 265 CB LYS A 17 7.618 -6.977 2.278 1.00 0.00 C ATOM 266 CG LYS A 17 7.983 -7.981 1.195 1.00 0.00 C ATOM 267 CD LYS A 17 7.093 -9.213 1.251 1.00 0.00 C ATOM 268 CE LYS A 17 7.400 -10.072 2.468 1.00 0.00 C ATOM 269 NZ LYS A 17 7.938 -11.406 2.084 1.00 0.00 N ATOM 0 H LYS A 17 7.433 -5.230 4.045 1.00 0.00 H new ATOM 0 HA LYS A 17 9.389 -7.255 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.941 -7.451 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.075 -6.148 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.892 -7.510 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.025 -8.279 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.047 -8.906 1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.230 -9.803 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.122 -9.558 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.493 -10.202 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.134 -11.961 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.239 -11.907 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.817 -11.283 1.542 1.00 0.00 H new ATOM 283 N VAL A 18 9.278 -4.530 1.585 1.00 0.00 N ATOM 284 CA VAL A 18 10.057 -3.723 0.651 1.00 0.00 C ATOM 285 C VAL A 18 11.326 -3.191 1.304 1.00 0.00 C ATOM 286 O VAL A 18 12.424 -3.350 0.771 1.00 0.00 O ATOM 287 CB VAL A 18 9.246 -2.531 0.111 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.897 -1.965 -1.142 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.804 -2.934 -0.166 1.00 0.00 C ATOM 0 H VAL A 18 8.366 -4.139 1.822 1.00 0.00 H new ATOM 0 HA VAL A 18 10.319 -4.381 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 18 9.237 -1.753 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.309 -1.123 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.906 -1.628 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.942 -2.738 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.253 -2.074 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.786 -3.734 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.340 -3.283 0.757 1.00 0.00 H new ATOM 299 N LYS A 19 11.169 -2.552 2.460 1.00 0.00 N ATOM 300 CA LYS A 19 12.302 -1.987 3.185 1.00 0.00 C ATOM 301 C LYS A 19 13.405 -3.024 3.394 1.00 0.00 C ATOM 302 O LYS A 19 14.576 -2.675 3.540 1.00 0.00 O ATOM 303 CB LYS A 19 11.843 -1.438 4.536 1.00 0.00 C ATOM 304 CG LYS A 19 11.173 -0.077 4.439 1.00 0.00 C ATOM 305 CD LYS A 19 11.766 0.912 5.430 1.00 0.00 C ATOM 306 CE LYS A 19 11.580 2.347 4.966 1.00 0.00 C ATOM 307 NZ LYS A 19 11.948 3.326 6.026 1.00 0.00 N ATOM 0 H LYS A 19 10.267 -2.413 2.915 1.00 0.00 H new ATOM 0 HA LYS A 19 12.710 -1.175 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.149 -2.145 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.703 -1.364 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.283 0.312 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.104 -0.183 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.294 0.780 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.828 0.706 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.191 2.524 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.542 2.502 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.807 4.293 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.348 3.174 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.946 3.196 6.288 1.00 0.00 H new ATOM 321 N ALA A 20 13.024 -4.298 3.406 1.00 0.00 N ATOM 322 CA ALA A 20 13.985 -5.380 3.597 1.00 0.00 C ATOM 323 C ALA A 20 14.519 -5.891 2.261 1.00 0.00 C ATOM 324 O ALA A 20 15.481 -6.658 2.220 1.00 0.00 O ATOM 325 CB ALA A 20 13.348 -6.517 4.381 1.00 0.00 C ATOM 0 H ALA A 20 12.059 -4.606 3.286 1.00 0.00 H new ATOM 0 HA ALA A 20 14.827 -4.985 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.075 -7.318 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.025 -6.151 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.486 -6.899 3.833 1.00 0.00 H new ATOM 331 N LEU A 21 13.890 -5.464 1.170 1.00 0.00 N ATOM 332 CA LEU A 21 14.295 -5.873 -0.161 1.00 0.00 C ATOM 333 C LEU A 21 15.521 -5.078 -0.617 1.00 0.00 C ATOM 334 O LEU A 21 16.274 -4.563 0.210 1.00 0.00 O ATOM 335 CB LEU A 21 13.123 -5.666 -1.120 1.00 0.00 C ATOM 336 CG LEU A 21 12.714 -6.895 -1.936 1.00 0.00 C ATOM 337 CD1 LEU A 21 11.612 -6.536 -2.919 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.913 -7.484 -2.666 1.00 0.00 C ATOM 0 H LEU A 21 13.092 -4.829 1.188 1.00 0.00 H new ATOM 0 HA LEU A 21 14.571 -6.927 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.260 -5.330 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.379 -4.862 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 21 12.332 -7.650 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.333 -7.421 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.743 -6.168 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.969 -5.762 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.598 -8.356 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.330 -6.737 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.671 -7.781 -1.941 1.00 0.00 H new ATOM 350 N GLY A 22 15.719 -4.977 -1.930 1.00 0.00 N ATOM 351 CA GLY A 22 16.856 -4.241 -2.451 1.00 0.00 C ATOM 352 C GLY A 22 16.920 -4.266 -3.966 1.00 0.00 C ATOM 353 O GLY A 22 16.495 -5.235 -4.596 1.00 0.00 O ATOM 0 H GLY A 22 15.114 -5.391 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.802 -3.207 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.775 -4.663 -2.045 1.00 0.00 H new ATOM 357 N GLY A 23 17.452 -3.198 -4.552 1.00 0.00 N ATOM 358 CA GLY A 23 17.561 -3.122 -5.997 1.00 0.00 C ATOM 359 C GLY A 23 16.535 -2.188 -6.609 1.00 0.00 C ATOM 360 O GLY A 23 15.526 -1.866 -5.980 1.00 0.00 O ATOM 0 H GLY A 23 17.809 -2.384 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.562 -2.783 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.438 -4.119 -6.420 1.00 0.00 H new ATOM 364 N GLY A 24 16.792 -1.752 -7.838 1.00 0.00 N ATOM 365 CA GLY A 24 15.873 -0.855 -8.515 1.00 0.00 C ATOM 366 C GLY A 24 14.922 -1.589 -9.438 1.00 0.00 C ATOM 367 O GLY A 24 14.850 -2.818 -9.416 1.00 0.00 O ATOM 0 H GLY A 24 17.620 -2.004 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.299 -0.300 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.441 -0.124 -9.090 1.00 0.00 H new ATOM 371 N GLY A 25 14.190 -0.836 -10.253 1.00 0.00 N ATOM 372 CA GLY A 25 13.250 -1.442 -11.177 1.00 0.00 C ATOM 373 C GLY A 25 11.845 -1.515 -10.612 1.00 0.00 C ATOM 374 O GLY A 25 11.187 -0.490 -10.432 1.00 0.00 O ATOM 0 H GLY A 25 14.231 0.183 -10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.236 -0.869 -12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.589 -2.447 -11.429 1.00 0.00 H new ATOM 378 N ARG A 26 11.383 -2.729 -10.332 1.00 0.00 N ATOM 379 CA ARG A 26 10.046 -2.931 -9.786 1.00 0.00 C ATOM 380 C ARG A 26 9.956 -2.415 -8.352 1.00 0.00 C ATOM 381 O ARG A 26 8.885 -2.027 -7.889 1.00 0.00 O ATOM 382 CB ARG A 26 9.660 -4.415 -9.847 1.00 0.00 C ATOM 383 CG ARG A 26 10.267 -5.266 -8.739 1.00 0.00 C ATOM 384 CD ARG A 26 11.771 -5.407 -8.903 1.00 0.00 C ATOM 385 NE ARG A 26 12.309 -6.503 -8.101 1.00 0.00 N ATOM 386 CZ ARG A 26 13.556 -6.955 -8.206 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.396 -6.411 -9.077 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.965 -7.954 -7.437 1.00 0.00 N ATOM 0 H ARG A 26 11.915 -3.588 -10.474 1.00 0.00 H new ATOM 0 HA ARG A 26 9.343 -2.362 -10.395 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.574 -4.498 -9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.969 -4.820 -10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.047 -4.816 -7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.806 -6.254 -8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.007 -5.577 -9.954 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.256 -4.475 -8.614 1.00 0.00 H new ATOM 0 HE ARG A 26 11.693 -6.948 -7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.087 -5.642 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.351 -6.762 -9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.324 -8.376 -6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.921 -8.301 -7.517 1.00 0.00 H new ATOM 402 N ILE A 27 11.085 -2.421 -7.652 1.00 0.00 N ATOM 403 CA ILE A 27 11.132 -1.961 -6.270 1.00 0.00 C ATOM 404 C ILE A 27 11.009 -0.442 -6.183 1.00 0.00 C ATOM 405 O ILE A 27 10.514 0.093 -5.192 1.00 0.00 O ATOM 406 CB ILE A 27 12.436 -2.403 -5.573 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.606 -3.920 -5.677 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.436 -1.966 -4.114 1.00 0.00 C ATOM 409 CD1 ILE A 27 14.034 -4.384 -5.486 1.00 0.00 C ATOM 0 H ILE A 27 11.981 -2.740 -8.020 1.00 0.00 H new ATOM 0 HA ILE A 27 10.283 -2.417 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 27 13.277 -1.924 -6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.974 -4.400 -4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.253 -4.251 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.363 -2.286 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.356 -0.880 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.589 -2.418 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.079 -5.470 -5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.668 -3.933 -6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.385 -4.084 -4.498 1.00 0.00 H new ATOM 421 N GLU A 28 11.477 0.247 -7.219 1.00 0.00 N ATOM 422 CA GLU A 28 11.433 1.706 -7.252 1.00 0.00 C ATOM 423 C GLU A 28 9.997 2.230 -7.306 1.00 0.00 C ATOM 424 O GLU A 28 9.591 3.027 -6.463 1.00 0.00 O ATOM 425 CB GLU A 28 12.226 2.229 -8.454 1.00 0.00 C ATOM 426 CG GLU A 28 13.360 3.167 -8.072 1.00 0.00 C ATOM 427 CD GLU A 28 13.555 4.284 -9.078 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.706 5.199 -9.122 1.00 0.00 O ATOM 429 OE2 GLU A 28 14.557 4.244 -9.823 1.00 0.00 O ATOM 0 H GLU A 28 11.891 -0.181 -8.047 1.00 0.00 H new ATOM 0 HA GLU A 28 11.885 2.071 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.636 1.382 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.546 2.750 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.156 3.597 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.285 2.597 -7.984 1.00 0.00 H new ATOM 436 N GLU A 29 9.238 1.792 -8.307 1.00 0.00 N ATOM 437 CA GLU A 29 7.853 2.234 -8.468 1.00 0.00 C ATOM 438 C GLU A 29 7.002 1.858 -7.258 1.00 0.00 C ATOM 439 O GLU A 29 6.100 2.598 -6.867 1.00 0.00 O ATOM 440 CB GLU A 29 7.246 1.627 -9.738 1.00 0.00 C ATOM 441 CG GLU A 29 5.771 1.959 -9.932 1.00 0.00 C ATOM 442 CD GLU A 29 5.505 2.708 -11.223 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.478 2.061 -12.291 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.323 3.943 -11.166 1.00 0.00 O ATOM 0 H GLU A 29 9.556 1.133 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 29 7.861 3.321 -8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.806 1.982 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.364 0.544 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.191 1.036 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.424 2.559 -9.091 1.00 0.00 H new ATOM 451 N LEU A 30 7.284 0.698 -6.681 1.00 0.00 N ATOM 452 CA LEU A 30 6.537 0.212 -5.527 1.00 0.00 C ATOM 453 C LEU A 30 6.847 1.016 -4.267 1.00 0.00 C ATOM 454 O LEU A 30 6.066 1.014 -3.319 1.00 0.00 O ATOM 455 CB LEU A 30 6.841 -1.268 -5.287 1.00 0.00 C ATOM 456 CG LEU A 30 6.401 -2.207 -6.410 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.966 -3.602 -6.193 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.884 -2.252 -6.500 1.00 0.00 C ATOM 0 H LEU A 30 8.027 0.073 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 30 5.477 0.337 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.914 -1.383 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.354 -1.578 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 30 6.791 -1.824 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.642 -4.256 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.055 -3.555 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.607 -3.996 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.587 -2.925 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.474 -2.611 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.502 -1.252 -6.704 1.00 0.00 H new ATOM 470 N LYS A 31 7.993 1.689 -4.253 1.00 0.00 N ATOM 471 CA LYS A 31 8.402 2.480 -3.095 1.00 0.00 C ATOM 472 C LYS A 31 7.640 3.800 -3.013 1.00 0.00 C ATOM 473 O LYS A 31 6.969 4.070 -2.023 1.00 0.00 O ATOM 474 CB LYS A 31 9.905 2.752 -3.154 1.00 0.00 C ATOM 475 CG LYS A 31 10.431 3.528 -1.958 1.00 0.00 C ATOM 476 CD LYS A 31 11.757 2.969 -1.471 1.00 0.00 C ATOM 477 CE LYS A 31 12.402 3.880 -0.439 1.00 0.00 C ATOM 478 NZ LYS A 31 13.135 5.009 -1.075 1.00 0.00 N ATOM 0 H LYS A 31 8.655 1.703 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 31 8.167 1.903 -2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.435 1.802 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.130 3.308 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.555 4.577 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.701 3.492 -1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.599 1.981 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.432 2.842 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.635 4.275 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.091 3.301 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.560 5.606 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.884 4.633 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.473 5.577 -1.642 1.00 0.00 H new ATOM 492 N LYS A 32 7.757 4.624 -4.048 1.00 0.00 N ATOM 493 CA LYS A 32 7.085 5.921 -4.078 1.00 0.00 C ATOM 494 C LYS A 32 5.584 5.780 -3.827 1.00 0.00 C ATOM 495 O LYS A 32 4.991 6.567 -3.090 1.00 0.00 O ATOM 496 CB LYS A 32 7.325 6.610 -5.423 1.00 0.00 C ATOM 497 CG LYS A 32 8.430 7.653 -5.383 1.00 0.00 C ATOM 498 CD LYS A 32 8.351 8.594 -6.575 1.00 0.00 C ATOM 499 CE LYS A 32 8.636 10.031 -6.171 1.00 0.00 C ATOM 500 NZ LYS A 32 7.452 10.676 -5.541 1.00 0.00 N ATOM 0 H LYS A 32 8.311 4.418 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 32 7.506 6.531 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.576 5.856 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.400 7.085 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.357 8.227 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.400 7.157 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.066 8.280 -7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.360 8.531 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.474 10.053 -5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.936 10.602 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.688 11.655 -5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.659 10.678 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.181 10.146 -4.688 1.00 0.00 H new ATOM 514 N LYS A 33 4.976 4.780 -4.454 1.00 0.00 N ATOM 515 CA LYS A 33 3.543 4.537 -4.313 1.00 0.00 C ATOM 516 C LYS A 33 3.199 3.966 -2.936 1.00 0.00 C ATOM 517 O LYS A 33 2.070 4.098 -2.467 1.00 0.00 O ATOM 518 CB LYS A 33 3.061 3.586 -5.411 1.00 0.00 C ATOM 519 CG LYS A 33 1.896 4.133 -6.219 1.00 0.00 C ATOM 520 CD LYS A 33 0.627 4.212 -5.386 1.00 0.00 C ATOM 521 CE LYS A 33 0.058 2.831 -5.105 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.438 2.171 -6.344 1.00 0.00 N ATOM 0 H LYS A 33 5.455 4.121 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 33 3.032 5.495 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.891 3.371 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.766 2.640 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.147 5.125 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.723 3.497 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.840 4.717 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.116 4.813 -5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.826 2.209 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.758 2.914 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.179 1.484 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.830 2.889 -6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.348 1.678 -6.814 1.00 0.00 H new ATOM 536 N CYS A 34 4.169 3.310 -2.308 1.00 0.00 N ATOM 537 CA CYS A 34 3.964 2.693 -0.997 1.00 0.00 C ATOM 538 C CYS A 34 3.655 3.722 0.092 1.00 0.00 C ATOM 539 O CYS A 34 2.627 3.636 0.765 1.00 0.00 O ATOM 540 CB CYS A 34 5.213 1.900 -0.604 1.00 0.00 C ATOM 541 SG CYS A 34 4.889 0.160 -0.174 1.00 0.00 S ATOM 0 H CYS A 34 5.109 3.190 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 34 3.100 2.033 -1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.924 1.932 -1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.688 2.390 0.246 1.00 0.00 H new ATOM 546 N GLU A 35 4.562 4.673 0.279 1.00 0.00 N ATOM 547 CA GLU A 35 4.401 5.696 1.309 1.00 0.00 C ATOM 548 C GLU A 35 3.253 6.652 0.998 1.00 0.00 C ATOM 549 O GLU A 35 2.413 6.914 1.856 1.00 0.00 O ATOM 550 CB GLU A 35 5.701 6.483 1.488 1.00 0.00 C ATOM 551 CG GLU A 35 6.292 6.976 0.181 1.00 0.00 C ATOM 552 CD GLU A 35 6.595 8.461 0.197 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.293 8.915 1.128 1.00 0.00 O ATOM 554 OE2 GLU A 35 6.134 9.171 -0.722 1.00 0.00 O ATOM 0 H GLU A 35 5.418 4.758 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 35 4.158 5.180 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.513 7.337 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.432 5.852 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.209 6.425 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.598 6.760 -0.631 1.00 0.00 H new ATOM 561 N GLU A 36 3.219 7.177 -0.222 1.00 0.00 N ATOM 562 CA GLU A 36 2.168 8.108 -0.620 1.00 0.00 C ATOM 563 C GLU A 36 0.785 7.508 -0.377 1.00 0.00 C ATOM 564 O GLU A 36 -0.187 8.226 -0.144 1.00 0.00 O ATOM 565 CB GLU A 36 2.324 8.495 -2.092 1.00 0.00 C ATOM 566 CG GLU A 36 2.039 7.356 -3.057 1.00 0.00 C ATOM 567 CD GLU A 36 2.123 7.787 -4.508 1.00 0.00 C ATOM 568 OE1 GLU A 36 1.092 8.229 -5.057 1.00 0.00 O ATOM 569 OE2 GLU A 36 3.220 7.683 -5.096 1.00 0.00 O ATOM 0 H GLU A 36 3.904 6.975 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 36 2.264 9.005 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.652 9.324 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.339 8.855 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.749 6.548 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.045 6.956 -2.858 1.00 0.00 H new ATOM 576 N LEU A 37 0.711 6.185 -0.441 1.00 0.00 N ATOM 577 CA LEU A 37 -0.541 5.469 -0.235 1.00 0.00 C ATOM 578 C LEU A 37 -1.012 5.592 1.213 1.00 0.00 C ATOM 579 O LEU A 37 -2.200 5.784 1.476 1.00 0.00 O ATOM 580 CB LEU A 37 -0.359 3.996 -0.618 1.00 0.00 C ATOM 581 CG LEU A 37 -1.440 3.036 -0.113 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.829 3.565 -0.440 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.240 1.654 -0.716 1.00 0.00 C ATOM 0 H LEU A 37 1.510 5.582 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.306 5.914 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.317 3.926 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.606 3.658 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.353 2.960 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.580 2.866 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.971 4.535 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.932 3.673 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.015 0.981 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.301 1.719 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.261 1.270 -0.429 1.00 0.00 H new ATOM 595 N LYS A 38 -0.076 5.475 2.148 1.00 0.00 N ATOM 596 CA LYS A 38 -0.397 5.568 3.570 1.00 0.00 C ATOM 597 C LYS A 38 -1.027 6.917 3.909 1.00 0.00 C ATOM 598 O LYS A 38 -2.143 6.980 4.426 1.00 0.00 O ATOM 599 CB LYS A 38 0.864 5.353 4.410 1.00 0.00 C ATOM 600 CG LYS A 38 0.694 4.316 5.508 1.00 0.00 C ATOM 601 CD LYS A 38 1.937 4.215 6.377 1.00 0.00 C ATOM 602 CE LYS A 38 2.935 3.219 5.809 1.00 0.00 C ATOM 603 NZ LYS A 38 4.341 3.629 6.076 1.00 0.00 N ATOM 0 H LYS A 38 0.912 5.316 1.948 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.122 4.788 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.679 5.046 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.157 6.302 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.164 4.578 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.481 3.344 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.406 5.196 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.654 3.913 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.755 2.236 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.782 3.125 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.976 2.823 5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.600 4.412 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.430 3.939 7.065 1.00 0.00 H new ATOM 617 N LYS A 39 -0.302 7.994 3.620 1.00 0.00 N ATOM 618 CA LYS A 39 -0.781 9.346 3.897 1.00 0.00 C ATOM 619 C LYS A 39 -2.182 9.565 3.332 1.00 0.00 C ATOM 620 O LYS A 39 -2.950 10.373 3.852 1.00 0.00 O ATOM 621 CB LYS A 39 0.183 10.380 3.313 1.00 0.00 C ATOM 622 CG LYS A 39 0.483 10.165 1.839 1.00 0.00 C ATOM 623 CD LYS A 39 1.681 10.986 1.391 1.00 0.00 C ATOM 624 CE LYS A 39 2.984 10.404 1.916 1.00 0.00 C ATOM 625 NZ LYS A 39 3.456 11.112 3.138 1.00 0.00 N ATOM 0 H LYS A 39 0.623 7.957 3.192 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.827 9.468 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.239 11.376 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.117 10.351 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.676 9.108 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.389 10.438 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.711 11.023 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.572 12.012 1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.845 9.346 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.748 10.468 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.298 11.678 2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.703 11.738 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.697 10.415 3.872 1.00 0.00 H new ATOM 639 N LYS A 40 -2.509 8.842 2.266 1.00 0.00 N ATOM 640 CA LYS A 40 -3.820 8.962 1.636 1.00 0.00 C ATOM 641 C LYS A 40 -4.906 8.357 2.521 1.00 0.00 C ATOM 642 O LYS A 40 -6.070 8.747 2.444 1.00 0.00 O ATOM 643 CB LYS A 40 -3.817 8.275 0.269 1.00 0.00 C ATOM 644 CG LYS A 40 -4.942 8.732 -0.644 1.00 0.00 C ATOM 645 CD LYS A 40 -4.712 8.284 -2.078 1.00 0.00 C ATOM 646 CE LYS A 40 -3.824 9.261 -2.831 1.00 0.00 C ATOM 647 NZ LYS A 40 -4.617 10.191 -3.681 1.00 0.00 N ATOM 0 H LYS A 40 -1.886 8.168 1.821 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.035 10.022 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.862 8.465 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.892 7.197 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.890 8.331 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.022 9.819 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.253 7.296 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.670 8.193 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.232 9.836 -2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.123 8.707 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.974 10.841 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.163 9.645 -4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.268 10.738 -3.083 1.00 0.00 H new ATOM 661 N ILE A 41 -4.518 7.406 3.364 1.00 0.00 N ATOM 662 CA ILE A 41 -5.461 6.756 4.266 1.00 0.00 C ATOM 663 C ILE A 41 -5.772 7.650 5.461 1.00 0.00 C ATOM 664 O ILE A 41 -6.871 7.606 6.013 1.00 0.00 O ATOM 665 CB ILE A 41 -4.919 5.404 4.775 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.263 4.627 3.629 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.039 4.589 5.410 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.808 3.236 4.017 1.00 0.00 C ATOM 0 H ILE A 41 -3.558 7.069 3.441 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.373 6.577 3.697 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.162 5.595 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.970 4.551 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.405 5.191 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.641 3.638 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.460 5.142 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.818 4.403 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.354 2.748 3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.077 3.304 4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.665 2.653 4.354 1.00 0.00 H new ATOM 680 N GLU A 42 -4.797 8.466 5.851 1.00 0.00 N ATOM 681 CA GLU A 42 -4.968 9.378 6.976 1.00 0.00 C ATOM 682 C GLU A 42 -5.990 10.458 6.640 1.00 0.00 C ATOM 683 O GLU A 42 -6.822 10.822 7.471 1.00 0.00 O ATOM 684 CB GLU A 42 -3.631 10.022 7.347 1.00 0.00 C ATOM 685 CG GLU A 42 -2.859 9.255 8.408 1.00 0.00 C ATOM 686 CD GLU A 42 -2.218 7.993 7.865 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.591 8.062 6.787 1.00 0.00 O ATOM 688 OE2 GLU A 42 -2.343 6.935 8.517 1.00 0.00 O ATOM 0 H GLU A 42 -3.881 8.514 5.405 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.333 8.805 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.016 10.104 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.812 11.036 7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.086 9.900 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.532 8.994 9.224 1.00 0.00 H new ATOM 695 N GLU A 43 -5.922 10.964 5.413 1.00 0.00 N ATOM 696 CA GLU A 43 -6.841 11.999 4.959 1.00 0.00 C ATOM 697 C GLU A 43 -8.261 11.450 4.867 1.00 0.00 C ATOM 698 O GLU A 43 -9.234 12.153 5.142 1.00 0.00 O ATOM 699 CB GLU A 43 -6.389 12.550 3.599 1.00 0.00 C ATOM 700 CG GLU A 43 -6.884 11.752 2.401 1.00 0.00 C ATOM 701 CD GLU A 43 -5.937 11.828 1.220 1.00 0.00 C ATOM 702 OE1 GLU A 43 -4.745 12.133 1.434 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.387 11.582 0.081 1.00 0.00 O ATOM 0 H GLU A 43 -5.238 10.673 4.715 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.834 12.813 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.737 13.579 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.300 12.578 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.014 10.710 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.864 12.124 2.101 1.00 0.00 H new ATOM 710 N LEU A 44 -8.363 10.186 4.477 1.00 0.00 N ATOM 711 CA LEU A 44 -9.652 9.519 4.341 1.00 0.00 C ATOM 712 C LEU A 44 -10.451 9.597 5.639 1.00 0.00 C ATOM 713 O LEU A 44 -9.933 10.012 6.675 1.00 0.00 O ATOM 714 CB LEU A 44 -9.444 8.056 3.941 1.00 0.00 C ATOM 715 CG LEU A 44 -9.431 7.792 2.435 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.965 6.374 2.145 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.811 8.034 1.841 1.00 0.00 C ATOM 0 H LEU A 44 -7.562 9.598 4.248 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.219 10.029 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.500 7.711 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.234 7.456 4.393 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.729 8.484 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.962 6.205 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.957 6.235 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.641 5.664 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.784 7.842 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.532 7.366 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.107 9.068 2.017 1.00 0.00 H new ATOM 729 N GLY A 45 -11.717 9.194 5.573 1.00 0.00 N ATOM 730 CA GLY A 45 -12.569 9.226 6.748 1.00 0.00 C ATOM 731 C GLY A 45 -13.052 7.846 7.150 1.00 0.00 C ATOM 732 O GLY A 45 -12.263 7.008 7.587 1.00 0.00 O ATOM 0 H GLY A 45 -12.168 8.846 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.022 9.672 7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.429 9.866 6.552 1.00 0.00 H new ATOM 736 N GLY A 46 -14.351 7.610 7.003 1.00 0.00 N ATOM 737 CA GLY A 46 -14.917 6.321 7.358 1.00 0.00 C ATOM 738 C GLY A 46 -15.331 5.515 6.143 1.00 0.00 C ATOM 739 O GLY A 46 -15.048 4.320 6.058 1.00 0.00 O ATOM 0 H GLY A 46 -15.023 8.288 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.187 5.754 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.783 6.473 8.002 1.00 0.00 H new ATOM 743 N GLY A 47 -16.002 6.169 5.202 1.00 0.00 N ATOM 744 CA GLY A 47 -16.445 5.490 3.998 1.00 0.00 C ATOM 745 C GLY A 47 -16.456 6.403 2.788 1.00 0.00 C ATOM 746 O GLY A 47 -16.032 7.556 2.868 1.00 0.00 O ATOM 0 H GLY A 47 -16.247 7.158 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.791 4.640 3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.447 5.091 4.157 1.00 0.00 H new ATOM 750 N GLY A 48 -16.943 5.887 1.664 1.00 0.00 N ATOM 751 CA GLY A 48 -16.999 6.676 0.448 1.00 0.00 C ATOM 752 C GLY A 48 -15.707 6.616 -0.342 1.00 0.00 C ATOM 753 O GLY A 48 -15.456 5.651 -1.063 1.00 0.00 O ATOM 0 H GLY A 48 -17.300 4.936 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.819 6.320 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -17.219 7.713 0.701 1.00 0.00 H new ATOM 757 N GLU A 49 -14.884 7.651 -0.205 1.00 0.00 N ATOM 758 CA GLU A 49 -13.609 7.714 -0.911 1.00 0.00 C ATOM 759 C GLU A 49 -12.680 6.582 -0.476 1.00 0.00 C ATOM 760 O GLU A 49 -11.713 6.261 -1.168 1.00 0.00 O ATOM 761 CB GLU A 49 -12.934 9.065 -0.666 1.00 0.00 C ATOM 762 CG GLU A 49 -11.827 9.381 -1.658 1.00 0.00 C ATOM 763 CD GLU A 49 -11.581 10.870 -1.803 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.570 11.631 -1.869 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.401 11.275 -1.851 1.00 0.00 O ATOM 0 H GLU A 49 -15.077 8.458 0.389 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.810 7.601 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.687 9.852 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.521 9.078 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.906 8.894 -1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.086 8.963 -2.631 1.00 0.00 H new ATOM 772 N VAL A 50 -12.977 5.979 0.672 1.00 0.00 N ATOM 773 CA VAL A 50 -12.167 4.884 1.195 1.00 0.00 C ATOM 774 C VAL A 50 -12.034 3.751 0.179 1.00 0.00 C ATOM 775 O VAL A 50 -11.100 2.953 0.246 1.00 0.00 O ATOM 776 CB VAL A 50 -12.761 4.318 2.500 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.794 3.341 3.152 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.119 5.446 3.457 1.00 0.00 C ATOM 0 H VAL A 50 -13.773 6.231 1.258 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.180 5.298 1.400 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.674 3.776 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.233 2.954 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.595 2.515 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.860 3.853 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.537 5.027 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.223 6.019 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.854 6.101 2.989 1.00 0.00 H new ATOM 788 N LYS A 51 -12.974 3.684 -0.760 1.00 0.00 N ATOM 789 CA LYS A 51 -12.957 2.645 -1.784 1.00 0.00 C ATOM 790 C LYS A 51 -11.845 2.893 -2.800 1.00 0.00 C ATOM 791 O LYS A 51 -11.226 1.952 -3.297 1.00 0.00 O ATOM 792 CB LYS A 51 -14.312 2.581 -2.495 1.00 0.00 C ATOM 793 CG LYS A 51 -15.204 1.453 -2.002 1.00 0.00 C ATOM 794 CD LYS A 51 -16.291 1.121 -3.011 1.00 0.00 C ATOM 795 CE LYS A 51 -17.066 -0.123 -2.606 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.520 -1.351 -3.245 1.00 0.00 N ATOM 0 H LYS A 51 -13.755 4.336 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.765 1.691 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.830 3.530 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.146 2.461 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.599 0.566 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.661 1.737 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.976 1.964 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.843 0.968 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.034 -0.233 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.113 -0.004 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.076 -2.176 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.573 -1.257 -4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.528 -1.479 -2.960 1.00 0.00 H new ATOM 810 N LYS A 52 -11.598 4.163 -3.108 1.00 0.00 N ATOM 811 CA LYS A 52 -10.562 4.528 -4.069 1.00 0.00 C ATOM 812 C LYS A 52 -9.178 4.142 -3.553 1.00 0.00 C ATOM 813 O LYS A 52 -8.450 3.391 -4.203 1.00 0.00 O ATOM 814 CB LYS A 52 -10.617 6.031 -4.357 1.00 0.00 C ATOM 815 CG LYS A 52 -9.451 6.541 -5.189 1.00 0.00 C ATOM 816 CD LYS A 52 -9.364 5.822 -6.526 1.00 0.00 C ATOM 817 CE LYS A 52 -8.826 6.735 -7.615 1.00 0.00 C ATOM 818 NZ LYS A 52 -7.478 7.269 -7.277 1.00 0.00 N ATOM 0 H LYS A 52 -12.100 4.955 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.746 3.981 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.548 6.258 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.640 6.572 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.564 7.612 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.521 6.401 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.718 4.949 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.352 5.458 -6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.774 6.186 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.517 7.564 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.075 7.746 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.560 7.949 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.856 6.486 -6.991 1.00 0.00 H new ATOM 832 N VAL A 53 -8.822 4.659 -2.382 1.00 0.00 N ATOM 833 CA VAL A 53 -7.525 4.365 -1.780 1.00 0.00 C ATOM 834 C VAL A 53 -7.342 2.865 -1.578 1.00 0.00 C ATOM 835 O VAL A 53 -6.218 2.365 -1.556 1.00 0.00 O ATOM 836 CB VAL A 53 -7.358 5.081 -0.427 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.947 4.891 0.110 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.689 6.560 -0.562 1.00 0.00 C ATOM 0 H VAL A 53 -9.412 5.283 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.765 4.731 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.055 4.638 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.850 5.404 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.750 3.828 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.229 5.304 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.566 7.050 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.019 7.018 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.720 6.673 -0.897 1.00 0.00 H new ATOM 848 N GLU A 54 -8.454 2.149 -1.437 1.00 0.00 N ATOM 849 CA GLU A 54 -8.412 0.704 -1.245 1.00 0.00 C ATOM 850 C GLU A 54 -7.829 0.021 -2.476 1.00 0.00 C ATOM 851 O GLU A 54 -7.089 -0.956 -2.367 1.00 0.00 O ATOM 852 CB GLU A 54 -9.814 0.163 -0.960 1.00 0.00 C ATOM 853 CG GLU A 54 -9.814 -1.172 -0.234 1.00 0.00 C ATOM 854 CD GLU A 54 -10.845 -1.233 0.876 1.00 0.00 C ATOM 855 OE1 GLU A 54 -12.049 -1.094 0.576 1.00 0.00 O ATOM 856 OE2 GLU A 54 -10.448 -1.419 2.046 1.00 0.00 O ATOM 0 H GLU A 54 -9.394 2.546 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.772 0.489 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.361 0.892 -0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.351 0.055 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.009 -1.971 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.824 -1.354 0.184 1.00 0.00 H new ATOM 863 N GLU A 55 -8.165 0.550 -3.649 1.00 0.00 N ATOM 864 CA GLU A 55 -7.673 0.002 -4.906 1.00 0.00 C ATOM 865 C GLU A 55 -6.189 0.312 -5.082 1.00 0.00 C ATOM 866 O GLU A 55 -5.462 -0.432 -5.739 1.00 0.00 O ATOM 867 CB GLU A 55 -8.472 0.574 -6.080 1.00 0.00 C ATOM 868 CG GLU A 55 -8.011 0.066 -7.437 1.00 0.00 C ATOM 869 CD GLU A 55 -7.926 1.170 -8.474 1.00 0.00 C ATOM 870 OE1 GLU A 55 -7.577 2.309 -8.101 1.00 0.00 O ATOM 871 OE2 GLU A 55 -8.209 0.894 -9.659 1.00 0.00 O ATOM 0 H GLU A 55 -8.777 1.359 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.801 -1.080 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.525 0.325 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.397 1.661 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.034 -0.405 -7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.700 -0.703 -7.786 1.00 0.00 H new ATOM 878 N GLU A 56 -5.749 1.416 -4.486 1.00 0.00 N ATOM 879 CA GLU A 56 -4.353 1.830 -4.569 1.00 0.00 C ATOM 880 C GLU A 56 -3.454 0.870 -3.794 1.00 0.00 C ATOM 881 O GLU A 56 -2.287 0.681 -4.138 1.00 0.00 O ATOM 882 CB GLU A 56 -4.195 3.251 -4.023 1.00 0.00 C ATOM 883 CG GLU A 56 -4.492 4.333 -5.047 1.00 0.00 C ATOM 884 CD GLU A 56 -4.820 5.667 -4.406 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.878 6.439 -4.128 1.00 0.00 O ATOM 886 OE2 GLU A 56 -6.018 5.940 -4.182 1.00 0.00 O ATOM 0 H GLU A 56 -6.341 2.041 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.052 1.812 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.860 3.379 -3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.177 3.379 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.631 4.452 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.329 4.018 -5.671 1.00 0.00 H new ATOM 893 N VAL A 57 -4.009 0.264 -2.750 1.00 0.00 N ATOM 894 CA VAL A 57 -3.268 -0.681 -1.923 1.00 0.00 C ATOM 895 C VAL A 57 -3.272 -2.072 -2.545 1.00 0.00 C ATOM 896 O VAL A 57 -2.380 -2.878 -2.293 1.00 0.00 O ATOM 897 CB VAL A 57 -3.854 -0.768 -0.501 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.943 -1.585 0.404 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.083 0.623 0.074 1.00 0.00 C ATOM 0 H VAL A 57 -4.974 0.412 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.244 -0.312 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.819 -1.272 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.374 -1.635 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.840 -2.593 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.962 -1.113 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.497 0.538 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.135 1.160 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.781 1.169 -0.561 1.00 0.00 H new ATOM 909 N LYS A 58 -4.293 -2.346 -3.349 1.00 0.00 N ATOM 910 CA LYS A 58 -4.434 -3.639 -4.006 1.00 0.00 C ATOM 911 C LYS A 58 -3.438 -3.796 -5.154 1.00 0.00 C ATOM 912 O LYS A 58 -3.048 -4.911 -5.496 1.00 0.00 O ATOM 913 CB LYS A 58 -5.862 -3.805 -4.529 1.00 0.00 C ATOM 914 CG LYS A 58 -6.722 -4.719 -3.671 1.00 0.00 C ATOM 915 CD LYS A 58 -6.305 -6.173 -3.816 1.00 0.00 C ATOM 916 CE LYS A 58 -6.685 -6.986 -2.588 1.00 0.00 C ATOM 917 NZ LYS A 58 -8.134 -7.328 -2.575 1.00 0.00 N ATOM 0 H LYS A 58 -5.040 -1.685 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.222 -4.414 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.335 -2.825 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.825 -4.202 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.643 -4.419 -2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.768 -4.609 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.779 -6.602 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.228 -6.230 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.095 -7.902 -2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.437 -6.423 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.352 -7.882 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.697 -6.454 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.366 -7.888 -3.420 1.00 0.00 H new ATOM 931 N LYS A 59 -3.048 -2.679 -5.759 1.00 0.00 N ATOM 932 CA LYS A 59 -2.115 -2.703 -6.884 1.00 0.00 C ATOM 933 C LYS A 59 -0.680 -2.965 -6.431 1.00 0.00 C ATOM 934 O LYS A 59 0.039 -3.743 -7.057 1.00 0.00 O ATOM 935 CB LYS A 59 -2.179 -1.381 -7.653 1.00 0.00 C ATOM 936 CG LYS A 59 -1.234 -1.320 -8.845 1.00 0.00 C ATOM 937 CD LYS A 59 0.067 -0.608 -8.497 1.00 0.00 C ATOM 938 CE LYS A 59 1.280 -1.455 -8.848 1.00 0.00 C ATOM 939 NZ LYS A 59 2.505 -0.988 -8.142 1.00 0.00 N ATOM 0 H LYS A 59 -3.362 -1.746 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.415 -3.523 -7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.200 -1.223 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.944 -0.563 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.015 -2.331 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.723 -0.802 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.118 0.340 -9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.081 -0.375 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.085 -2.495 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.447 -1.422 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.336 -1.149 -8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.420 0.027 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.616 -1.516 -7.253 1.00 0.00 H new ATOM 953 N LEU A 60 -0.258 -2.302 -5.360 1.00 0.00 N ATOM 954 CA LEU A 60 1.104 -2.464 -4.857 1.00 0.00 C ATOM 955 C LEU A 60 1.297 -3.800 -4.151 1.00 0.00 C ATOM 956 O LEU A 60 2.412 -4.308 -4.069 1.00 0.00 O ATOM 957 CB LEU A 60 1.465 -1.328 -3.905 1.00 0.00 C ATOM 958 CG LEU A 60 2.965 -1.039 -3.808 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.243 0.443 -3.994 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.523 -1.530 -2.481 1.00 0.00 C ATOM 0 H LEU A 60 -0.834 -1.651 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 60 1.766 -2.439 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.953 -0.422 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.088 -1.569 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 60 3.467 -1.581 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.315 0.624 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.887 0.760 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.726 1.010 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.590 -1.315 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.013 -1.023 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.366 -2.605 -2.396 1.00 0.00 H new ATOM 972 N GLU A 61 0.214 -4.363 -3.637 1.00 0.00 N ATOM 973 CA GLU A 61 0.279 -5.639 -2.938 1.00 0.00 C ATOM 974 C GLU A 61 0.560 -6.777 -3.915 1.00 0.00 C ATOM 975 O GLU A 61 1.518 -7.533 -3.751 1.00 0.00 O ATOM 976 CB GLU A 61 -1.033 -5.894 -2.196 1.00 0.00 C ATOM 977 CG GLU A 61 -0.843 -6.444 -0.794 1.00 0.00 C ATOM 978 CD GLU A 61 -1.948 -7.400 -0.387 1.00 0.00 C ATOM 979 OE1 GLU A 61 -3.102 -7.192 -0.818 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.659 -8.357 0.361 1.00 0.00 O ATOM 0 H GLU A 61 -0.720 -3.957 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 61 1.095 -5.598 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.595 -4.962 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.637 -6.595 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.116 -6.958 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.804 -5.617 -0.085 1.00 0.00 H new ATOM 987 N GLU A 62 -0.284 -6.885 -4.933 1.00 0.00 N ATOM 988 CA GLU A 62 -0.145 -7.919 -5.950 1.00 0.00 C ATOM 989 C GLU A 62 1.172 -7.774 -6.709 1.00 0.00 C ATOM 990 O GLU A 62 1.707 -8.748 -7.238 1.00 0.00 O ATOM 991 CB GLU A 62 -1.319 -7.845 -6.928 1.00 0.00 C ATOM 992 CG GLU A 62 -1.797 -9.203 -7.409 1.00 0.00 C ATOM 993 CD GLU A 62 -3.065 -9.116 -8.236 1.00 0.00 C ATOM 994 OE1 GLU A 62 -4.135 -8.843 -7.653 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.987 -9.321 -9.465 1.00 0.00 O ATOM 0 H GLU A 62 -1.079 -6.263 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.145 -8.888 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.149 -7.326 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.025 -7.246 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.012 -9.671 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.973 -9.848 -6.548 1.00 0.00 H new ATOM 1002 N GLU A 63 1.681 -6.549 -6.766 1.00 0.00 N ATOM 1003 CA GLU A 63 2.928 -6.266 -7.468 1.00 0.00 C ATOM 1004 C GLU A 63 4.106 -6.998 -6.829 1.00 0.00 C ATOM 1005 O GLU A 63 4.809 -7.759 -7.494 1.00 0.00 O ATOM 1006 CB GLU A 63 3.187 -4.757 -7.480 1.00 0.00 C ATOM 1007 CG GLU A 63 3.370 -4.184 -8.875 1.00 0.00 C ATOM 1008 CD GLU A 63 4.766 -4.416 -9.422 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.991 -5.475 -10.043 1.00 0.00 O ATOM 1010 OE2 GLU A 63 5.633 -3.537 -9.228 1.00 0.00 O ATOM 0 H GLU A 63 1.248 -5.733 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 63 2.830 -6.625 -8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.354 -4.250 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.078 -4.545 -6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.641 -4.635 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.165 -3.114 -8.854 1.00 0.00 H new ATOM 1017 N ILE A 64 4.318 -6.760 -5.541 1.00 0.00 N ATOM 1018 CA ILE A 64 5.412 -7.390 -4.812 1.00 0.00 C ATOM 1019 C ILE A 64 5.313 -8.913 -4.868 1.00 0.00 C ATOM 1020 O ILE A 64 6.314 -9.616 -4.720 1.00 0.00 O ATOM 1021 CB ILE A 64 5.434 -6.941 -3.337 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.409 -5.412 -3.246 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.660 -7.504 -2.626 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.555 -4.884 -1.834 1.00 0.00 C ATOM 0 H ILE A 64 3.744 -6.133 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 64 6.336 -7.074 -5.296 1.00 0.00 H new ATOM 0 HB ILE A 64 4.544 -7.330 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.213 -5.007 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.472 -5.047 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.660 -7.177 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.635 -8.593 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.563 -7.145 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.528 -3.794 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.737 -5.259 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.505 -5.218 -1.417 1.00 0.00 H new ATOM 1036 N LYS A 65 4.101 -9.418 -5.074 1.00 0.00 N ATOM 1037 CA LYS A 65 3.870 -10.858 -5.141 1.00 0.00 C ATOM 1038 C LYS A 65 4.766 -11.521 -6.185 1.00 0.00 C ATOM 1039 O LYS A 65 5.160 -12.677 -6.032 1.00 0.00 O ATOM 1040 CB LYS A 65 2.400 -11.140 -5.460 1.00 0.00 C ATOM 1041 CG LYS A 65 1.692 -11.958 -4.392 1.00 0.00 C ATOM 1042 CD LYS A 65 1.021 -11.065 -3.360 1.00 0.00 C ATOM 1043 CE LYS A 65 1.792 -11.046 -2.051 1.00 0.00 C ATOM 1044 NZ LYS A 65 1.087 -10.258 -1.003 1.00 0.00 N ATOM 0 H LYS A 65 3.262 -8.851 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 65 4.118 -11.281 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.876 -10.193 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.338 -11.669 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.946 -12.600 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.410 -12.612 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.943 -10.051 -3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.005 -11.416 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.938 -12.068 -1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.782 -10.623 -2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.645 -10.270 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.970 -9.276 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.152 -10.677 -0.824 1.00 0.00 H new ATOM 1058 N LYS A 66 5.080 -10.789 -7.249 1.00 0.00 N ATOM 1059 CA LYS A 66 5.923 -11.319 -8.316 1.00 0.00 C ATOM 1060 C LYS A 66 7.317 -10.699 -8.283 1.00 0.00 C ATOM 1061 O LYS A 66 8.301 -11.378 -7.991 1.00 0.00 O ATOM 1062 CB LYS A 66 5.271 -11.069 -9.677 1.00 0.00 C ATOM 1063 CG LYS A 66 4.080 -11.972 -9.955 1.00 0.00 C ATOM 1064 CD LYS A 66 4.521 -13.357 -10.405 1.00 0.00 C ATOM 1065 CE LYS A 66 4.002 -14.440 -9.472 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.647 -14.914 -9.868 1.00 0.00 N ATOM 0 H LYS A 66 4.765 -9.830 -7.396 1.00 0.00 H new ATOM 0 HA LYS A 66 6.027 -12.393 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.949 -10.029 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.016 -11.213 -10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.470 -12.058 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.453 -11.521 -10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.160 -13.544 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.610 -13.399 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.695 -15.281 -9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.968 -14.055 -8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.330 -15.651 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.979 -14.117 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.684 -15.305 -10.831 1.00 0.00 H new ATOM 1080 N LEU A 67 7.395 -9.408 -8.590 1.00 0.00 N ATOM 1081 CA LEU A 67 8.668 -8.696 -8.600 1.00 0.00 C ATOM 1082 C LEU A 67 9.612 -9.281 -9.646 1.00 0.00 C ATOM 1083 O LEU A 67 9.599 -8.790 -10.794 1.00 0.00 O ATOM 1084 CB LEU A 67 9.323 -8.753 -7.219 1.00 0.00 C ATOM 1085 CG LEU A 67 8.578 -8.001 -6.116 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.226 -8.259 -4.764 1.00 0.00 C ATOM 1087 CD2 LEU A 67 8.544 -6.511 -6.418 1.00 0.00 C ATOM 1088 OXT LEU A 67 10.357 -10.224 -9.307 1.00 0.00 O ATOM 0 H LEU A 67 6.590 -8.832 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 67 8.469 -7.656 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.420 -9.798 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.332 -8.348 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 67 7.552 -8.368 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.683 -7.716 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.199 -9.326 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.262 -7.920 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.010 -5.991 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.563 -6.129 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.035 -6.344 -7.367 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.958 2.650 2.947 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.758 2.015 2.710 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.726 0.779 2.074 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.915 0.188 1.678 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.120 0.821 1.913 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.142 2.052 2.548 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.571 2.594 3.101 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.137 0.107 1.840 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.821 2.058 2.769 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.975 3.619 3.446 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.093 2.551 2.734 1.00 0.00 H new HETATM 0 H4 HTS A 101 10.053 0.352 1.599 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.899 -0.781 1.179 1.00 0.00 H new