USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=6 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 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= -0.147 (180deg=-1.44!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= -2.56 (180deg=-9.37!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -0.708 (180deg=-1.45!) 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 -11:sc= -11! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 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+ 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+ 152:sc= -0.292 (180deg=-1.25) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -16.949 -3.509 6.362 1.00 0.00 N ATOM 11 CA SER A 2 -16.974 -3.073 4.972 1.00 0.00 C ATOM 12 C SER A 2 -15.973 -1.945 4.736 1.00 0.00 C ATOM 13 O SER A 2 -15.438 -1.797 3.637 1.00 0.00 O ATOM 14 CB SER A 2 -18.380 -2.612 4.584 1.00 0.00 C ATOM 15 OG SER A 2 -19.054 -3.607 3.831 1.00 0.00 O ATOM 0 HA SER A 2 -16.692 -3.921 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.952 -2.382 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.317 -1.692 4.003 1.00 0.00 H new ATOM 0 HG SER A 2 -19.951 -3.289 3.597 1.00 0.00 H new ATOM 21 N ARG A 3 -15.726 -1.152 5.774 1.00 0.00 N ATOM 22 CA ARG A 3 -14.791 -0.037 5.676 1.00 0.00 C ATOM 23 C ARG A 3 -13.347 -0.529 5.717 1.00 0.00 C ATOM 24 O ARG A 3 -12.488 -0.019 4.997 1.00 0.00 O ATOM 25 CB ARG A 3 -15.036 0.963 6.808 1.00 0.00 C ATOM 26 CG ARG A 3 -14.882 0.363 8.196 1.00 0.00 C ATOM 27 CD ARG A 3 -13.504 0.643 8.773 1.00 0.00 C ATOM 28 NE ARG A 3 -13.305 2.064 9.048 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.902 2.718 10.043 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.735 2.081 10.858 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.667 4.009 10.223 1.00 0.00 N ATOM 0 H ARG A 3 -16.159 -1.261 6.691 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.957 0.460 4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.341 1.796 6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.041 1.373 6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.645 0.773 8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.046 -0.714 8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.374 0.074 9.693 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.741 0.298 8.074 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.672 2.586 8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.920 1.087 10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.190 2.586 11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.029 4.503 9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.125 4.509 10.985 1.00 0.00 H new ATOM 45 N VAL A 4 -13.086 -1.521 6.562 1.00 0.00 N ATOM 46 CA VAL A 4 -11.745 -2.078 6.693 1.00 0.00 C ATOM 47 C VAL A 4 -11.375 -2.909 5.467 1.00 0.00 C ATOM 48 O VAL A 4 -10.272 -2.785 4.935 1.00 0.00 O ATOM 49 CB VAL A 4 -11.621 -2.958 7.951 1.00 0.00 C ATOM 50 CG1 VAL A 4 -10.176 -3.378 8.171 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.162 -2.226 9.171 1.00 0.00 C ATOM 0 H VAL A 4 -13.784 -1.955 7.165 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.059 -1.235 6.781 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.217 -3.858 7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.110 -3.999 9.064 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.827 -3.945 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.555 -2.491 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.066 -2.863 10.050 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.596 -1.308 9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.213 -1.982 9.013 1.00 0.00 H new ATOM 61 N LYS A 5 -12.303 -3.750 5.020 1.00 0.00 N ATOM 62 CA LYS A 5 -12.065 -4.590 3.852 1.00 0.00 C ATOM 63 C LYS A 5 -11.881 -3.726 2.611 1.00 0.00 C ATOM 64 O LYS A 5 -11.019 -3.994 1.778 1.00 0.00 O ATOM 65 CB LYS A 5 -13.224 -5.573 3.651 1.00 0.00 C ATOM 66 CG LYS A 5 -13.258 -6.213 2.270 1.00 0.00 C ATOM 67 CD LYS A 5 -11.945 -6.903 1.941 1.00 0.00 C ATOM 68 CE LYS A 5 -12.017 -8.398 2.204 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.411 -9.158 0.986 1.00 0.00 N1+ ATOM 0 H LYS A 5 -13.222 -3.867 5.447 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.153 -5.163 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.155 -6.359 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.165 -5.050 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.072 -6.937 2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.467 -5.450 1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.694 -6.729 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.144 -6.466 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.048 -8.752 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.735 -8.592 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.449 -10.173 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.347 -8.839 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.713 -8.994 0.233 1.00 0.00 H new ATOM 83 N ALA A 6 -12.691 -2.679 2.505 1.00 0.00 N ATOM 84 CA ALA A 6 -12.609 -1.761 1.376 1.00 0.00 C ATOM 85 C ALA A 6 -11.205 -1.181 1.273 1.00 0.00 C ATOM 86 O ALA A 6 -10.692 -0.946 0.180 1.00 0.00 O ATOM 87 CB ALA A 6 -13.637 -0.652 1.523 1.00 0.00 C ATOM 0 H ALA A 6 -13.412 -2.445 3.187 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.825 -2.310 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.565 0.026 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.637 -1.085 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.448 -0.101 2.444 1.00 0.00 H new ATOM 93 N LEU A 7 -10.594 -0.960 2.430 1.00 0.00 N ATOM 94 CA LEU A 7 -9.247 -0.414 2.508 1.00 0.00 C ATOM 95 C LEU A 7 -8.256 -1.306 1.768 1.00 0.00 C ATOM 96 O LEU A 7 -7.376 -0.823 1.058 1.00 0.00 O ATOM 97 CB LEU A 7 -8.840 -0.297 3.977 1.00 0.00 C ATOM 98 CG LEU A 7 -8.106 0.986 4.359 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.701 0.991 3.777 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.884 2.209 3.893 1.00 0.00 C ATOM 0 H LEU A 7 -11.017 -1.154 3.338 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.237 0.570 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.737 -0.378 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.204 -1.146 4.228 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.027 1.025 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.193 1.913 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.144 0.137 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.757 0.926 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.344 3.113 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.997 2.177 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.869 2.214 4.361 1.00 0.00 H new ATOM 112 N GLU A 8 -8.407 -2.611 1.950 1.00 0.00 N ATOM 113 CA GLU A 8 -7.531 -3.589 1.313 1.00 0.00 C ATOM 114 C GLU A 8 -7.681 -3.571 -0.211 1.00 0.00 C ATOM 115 O GLU A 8 -6.729 -3.851 -0.939 1.00 0.00 O ATOM 116 CB GLU A 8 -7.822 -4.994 1.865 1.00 0.00 C ATOM 117 CG GLU A 8 -8.836 -5.792 1.055 1.00 0.00 C ATOM 118 CD GLU A 8 -8.190 -6.596 -0.057 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.967 -6.838 0.021 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.906 -6.981 -1.004 1.00 0.00 O ATOM 0 H GLU A 8 -9.133 -3.020 2.538 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.501 -3.320 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.888 -5.554 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.185 -4.901 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.377 -6.466 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.571 -5.110 0.626 1.00 0.00 H new ATOM 127 N GLU A 9 -8.885 -3.263 -0.681 1.00 0.00 N ATOM 128 CA GLU A 9 -9.167 -3.233 -2.114 1.00 0.00 C ATOM 129 C GLU A 9 -8.409 -2.116 -2.830 1.00 0.00 C ATOM 130 O GLU A 9 -7.952 -2.295 -3.957 1.00 0.00 O ATOM 131 CB GLU A 9 -10.670 -3.070 -2.349 1.00 0.00 C ATOM 132 CG GLU A 9 -11.493 -4.254 -1.870 1.00 0.00 C ATOM 133 CD GLU A 9 -11.911 -5.172 -3.002 1.00 0.00 C ATOM 134 OE1 GLU A 9 -12.411 -4.661 -4.026 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -11.739 -6.401 -2.863 1.00 0.00 O ATOM 0 H GLU A 9 -9.683 -3.030 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.827 -4.181 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.013 -2.170 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.849 -2.921 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.915 -4.822 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.382 -3.889 -1.356 1.00 0.00 H new ATOM 142 N LYS A 10 -8.290 -0.961 -2.182 1.00 0.00 N ATOM 143 CA LYS A 10 -7.599 0.180 -2.777 1.00 0.00 C ATOM 144 C LYS A 10 -6.087 -0.035 -2.824 1.00 0.00 C ATOM 145 O LYS A 10 -5.416 0.414 -3.753 1.00 0.00 O ATOM 146 CB LYS A 10 -7.926 1.464 -2.007 1.00 0.00 C ATOM 147 CG LYS A 10 -7.389 1.486 -0.584 1.00 0.00 C ATOM 148 CD LYS A 10 -7.017 2.897 -0.154 1.00 0.00 C ATOM 149 CE LYS A 10 -6.140 2.888 1.087 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.472 4.200 1.307 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.662 -0.790 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.953 0.278 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.518 2.316 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.008 1.593 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.139 1.082 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.514 0.840 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.494 3.400 -0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.923 3.469 0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.747 2.639 1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.385 2.108 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.506 4.043 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.432 4.724 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.010 4.751 2.006 1.00 0.00 H new ATOM 164 N VAL A 11 -5.556 -0.710 -1.812 1.00 0.00 N ATOM 165 CA VAL A 11 -4.122 -0.972 -1.726 1.00 0.00 C ATOM 166 C VAL A 11 -3.629 -1.836 -2.886 1.00 0.00 C ATOM 167 O VAL A 11 -2.562 -1.588 -3.447 1.00 0.00 O ATOM 168 CB VAL A 11 -3.770 -1.672 -0.397 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.264 -1.827 -0.249 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.353 -0.904 0.781 1.00 0.00 C ATOM 0 H VAL A 11 -6.099 -1.088 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.625 -0.003 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.211 -2.669 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.040 -2.323 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.877 -2.425 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.794 -0.844 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.095 -1.412 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.945 0.107 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.438 -0.856 0.683 1.00 0.00 H new ATOM 180 N LYS A 12 -4.406 -2.856 -3.229 1.00 0.00 N ATOM 181 CA LYS A 12 -4.049 -3.768 -4.310 1.00 0.00 C ATOM 182 C LYS A 12 -4.131 -3.087 -5.664 1.00 0.00 C ATOM 183 O LYS A 12 -3.304 -3.327 -6.543 1.00 0.00 O ATOM 184 CB LYS A 12 -4.954 -4.996 -4.293 1.00 0.00 C ATOM 185 CG LYS A 12 -4.225 -6.287 -4.623 1.00 0.00 C ATOM 186 CD LYS A 12 -4.770 -7.444 -3.806 1.00 0.00 C ATOM 187 CE LYS A 12 -4.729 -8.749 -4.585 1.00 0.00 C ATOM 188 NZ LYS A 12 -5.965 -9.554 -4.388 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.292 -3.073 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.017 -4.079 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.412 -5.087 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.764 -4.851 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.330 -6.506 -5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.160 -6.168 -4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.189 -7.548 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.797 -7.229 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.601 -8.534 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.863 -9.332 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.896 -10.435 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.074 -9.781 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.790 -9.009 -4.711 1.00 0.00 H new ATOM 202 N ALA A 13 -5.129 -2.232 -5.828 1.00 0.00 N ATOM 203 CA ALA A 13 -5.306 -1.518 -7.082 1.00 0.00 C ATOM 204 C ALA A 13 -4.041 -0.745 -7.411 1.00 0.00 C ATOM 205 O ALA A 13 -3.631 -0.660 -8.568 1.00 0.00 O ATOM 206 CB ALA A 13 -6.502 -0.581 -6.999 1.00 0.00 C ATOM 0 H ALA A 13 -5.824 -2.017 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.498 -2.238 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.619 -0.055 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.403 -1.158 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.342 0.143 -6.200 1.00 0.00 H new ATOM 212 N LEU A 14 -3.406 -0.212 -6.374 1.00 0.00 N ATOM 213 CA LEU A 14 -2.157 0.521 -6.545 1.00 0.00 C ATOM 214 C LEU A 14 -1.030 -0.441 -6.904 1.00 0.00 C ATOM 215 O LEU A 14 -0.086 -0.084 -7.603 1.00 0.00 O ATOM 216 CB LEU A 14 -1.804 1.297 -5.277 1.00 0.00 C ATOM 217 CG LEU A 14 -1.030 2.596 -5.518 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.333 3.614 -4.428 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.465 2.320 -5.601 1.00 0.00 C ATOM 0 H LEU A 14 -3.733 -0.273 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.287 1.236 -7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.725 1.532 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.213 0.653 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.353 3.016 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.773 4.529 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.400 3.836 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.044 3.207 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.999 3.255 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.805 1.874 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.663 1.633 -6.424 1.00 0.00 H new ATOM 231 N GLU A 15 -1.141 -1.664 -6.399 1.00 0.00 N ATOM 232 CA GLU A 15 -0.144 -2.701 -6.636 1.00 0.00 C ATOM 233 C GLU A 15 0.089 -2.938 -8.127 1.00 0.00 C ATOM 234 O GLU A 15 1.217 -3.167 -8.561 1.00 0.00 O ATOM 235 CB GLU A 15 -0.598 -4.002 -5.977 1.00 0.00 C ATOM 236 CG GLU A 15 0.509 -5.024 -5.833 1.00 0.00 C ATOM 237 CD GLU A 15 0.059 -6.429 -6.185 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.352 -6.649 -7.344 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 0.115 -7.310 -5.300 1.00 0.00 O ATOM 0 H GLU A 15 -1.922 -1.964 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 15 0.798 -2.365 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.005 -3.778 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.407 -4.435 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.343 -4.743 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.878 -5.011 -4.807 1.00 0.00 H new ATOM 246 N GLU A 16 -0.988 -2.893 -8.896 1.00 0.00 N ATOM 247 CA GLU A 16 -0.927 -3.116 -10.340 1.00 0.00 C ATOM 248 C GLU A 16 -0.153 -2.008 -11.040 1.00 0.00 C ATOM 249 O GLU A 16 0.498 -2.240 -12.056 1.00 0.00 O ATOM 250 CB GLU A 16 -2.339 -3.226 -10.924 1.00 0.00 C ATOM 251 CG GLU A 16 -3.106 -1.912 -10.937 1.00 0.00 C ATOM 252 CD GLU A 16 -3.386 -1.412 -12.341 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.417 -1.188 -13.096 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -4.576 -1.243 -12.684 1.00 0.00 O ATOM 0 H GLU A 16 -1.926 -2.702 -8.543 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.399 -4.054 -10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.271 -3.606 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.904 -3.959 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.050 -2.041 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.536 -1.158 -10.394 1.00 0.00 H new ATOM 261 N LYS A 17 -0.232 -0.803 -10.494 1.00 0.00 N ATOM 262 CA LYS A 17 0.462 0.338 -11.069 1.00 0.00 C ATOM 263 C LYS A 17 1.972 0.204 -10.876 1.00 0.00 C ATOM 264 O LYS A 17 2.758 0.694 -11.687 1.00 0.00 O ATOM 265 CB LYS A 17 -0.064 1.651 -10.465 1.00 0.00 C ATOM 266 CG LYS A 17 0.509 1.997 -9.098 1.00 0.00 C ATOM 267 CD LYS A 17 1.185 3.358 -9.103 1.00 0.00 C ATOM 268 CE LYS A 17 2.331 3.411 -10.102 1.00 0.00 C ATOM 269 NZ LYS A 17 3.441 2.493 -9.727 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.770 -0.591 -9.654 1.00 0.00 H new ATOM 0 HA LYS A 17 0.264 0.360 -12.141 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.158 2.466 -11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.149 1.589 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.289 1.989 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.228 1.234 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.453 4.128 -9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.561 3.582 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.961 3.147 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.710 4.431 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.265 3.050 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.134 1.877 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.701 1.909 -10.548 1.00 0.00 H new ATOM 283 N VAL A 18 2.369 -0.458 -9.790 1.00 0.00 N ATOM 284 CA VAL A 18 3.787 -0.650 -9.482 1.00 0.00 C ATOM 285 C VAL A 18 4.457 -1.606 -10.467 1.00 0.00 C ATOM 286 O VAL A 18 5.547 -1.326 -10.968 1.00 0.00 O ATOM 287 CB VAL A 18 3.979 -1.190 -8.051 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.456 -1.235 -7.687 1.00 0.00 C ATOM 289 CG2 VAL A 18 3.204 -0.346 -7.051 1.00 0.00 C ATOM 0 H VAL A 18 1.731 -0.870 -9.109 1.00 0.00 H new ATOM 0 HA VAL A 18 4.257 0.330 -9.567 1.00 0.00 H new ATOM 0 HB VAL A 18 3.588 -2.207 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.569 -1.619 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.983 -1.888 -8.383 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.875 -0.231 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.353 -0.744 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.560 0.683 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.143 -0.372 -7.298 1.00 0.00 H new ATOM 299 N LYS A 19 3.808 -2.732 -10.745 1.00 0.00 N ATOM 300 CA LYS A 19 4.354 -3.718 -11.672 1.00 0.00 C ATOM 301 C LYS A 19 4.342 -3.181 -13.100 1.00 0.00 C ATOM 302 O LYS A 19 5.112 -3.629 -13.950 1.00 0.00 O ATOM 303 CB LYS A 19 3.565 -5.028 -11.593 1.00 0.00 C ATOM 304 CG LYS A 19 2.086 -4.873 -11.912 1.00 0.00 C ATOM 305 CD LYS A 19 1.832 -4.877 -13.412 1.00 0.00 C ATOM 306 CE LYS A 19 0.969 -6.057 -13.829 1.00 0.00 C ATOM 307 NZ LYS A 19 1.686 -7.352 -13.669 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.905 -2.985 -10.343 1.00 0.00 H new ATOM 0 HA LYS A 19 5.387 -3.916 -11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.003 -5.748 -12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.670 -5.445 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.526 -5.684 -11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.716 -3.942 -11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.343 -3.947 -13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.783 -4.915 -13.943 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.058 -6.070 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.666 -5.936 -14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.064 -8.132 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.542 -7.350 -14.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.953 -7.480 -12.672 1.00 0.00 H new ATOM 321 N ALA A 20 3.467 -2.213 -13.353 1.00 0.00 N ATOM 322 CA ALA A 20 3.356 -1.603 -14.671 1.00 0.00 C ATOM 323 C ALA A 20 4.365 -0.467 -14.835 1.00 0.00 C ATOM 324 O ALA A 20 4.566 0.042 -15.938 1.00 0.00 O ATOM 325 CB ALA A 20 1.939 -1.095 -14.895 1.00 0.00 C ATOM 0 H ALA A 20 2.823 -1.834 -12.659 1.00 0.00 H new ATOM 0 HA ALA A 20 3.580 -2.362 -15.421 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.867 -0.641 -15.883 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.239 -1.928 -14.827 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.695 -0.352 -14.136 1.00 0.00 H new ATOM 331 N LEU A 21 4.996 -0.073 -13.730 1.00 0.00 N ATOM 332 CA LEU A 21 5.982 1.000 -13.749 1.00 0.00 C ATOM 333 C LEU A 21 7.249 0.560 -14.476 1.00 0.00 C ATOM 334 O LEU A 21 7.931 1.370 -15.104 1.00 0.00 O ATOM 335 CB LEU A 21 6.323 1.423 -12.316 1.00 0.00 C ATOM 336 CG LEU A 21 6.336 2.932 -12.059 1.00 0.00 C ATOM 337 CD1 LEU A 21 7.000 3.240 -10.725 1.00 0.00 C ATOM 338 CD2 LEU A 21 7.046 3.667 -13.188 1.00 0.00 C ATOM 0 H LEU A 21 4.840 -0.484 -12.809 1.00 0.00 H new ATOM 0 HA LEU A 21 5.555 1.849 -14.284 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.603 0.963 -11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.303 1.020 -12.060 1.00 0.00 H new ATOM 0 HG LEU A 21 5.303 3.279 -12.021 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.000 4.317 -10.559 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.449 2.749 -9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.027 2.874 -10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.043 4.738 -12.984 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.075 3.315 -13.261 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.529 3.476 -14.128 1.00 0.00 H new ATOM 350 N GLY A 22 7.557 -0.729 -14.384 1.00 0.00 N ATOM 351 CA GLY A 22 8.741 -1.258 -15.037 1.00 0.00 C ATOM 352 C GLY A 22 9.254 -2.517 -14.368 1.00 0.00 C ATOM 353 O GLY A 22 9.673 -3.459 -15.041 1.00 0.00 O ATOM 0 H GLY A 22 7.008 -1.417 -13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.512 -1.472 -16.081 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.525 -0.501 -15.031 1.00 0.00 H new ATOM 357 N GLY A 23 9.220 -2.534 -13.040 1.00 0.00 N ATOM 358 CA GLY A 23 9.687 -3.693 -12.300 1.00 0.00 C ATOM 359 C GLY A 23 11.135 -4.028 -12.599 1.00 0.00 C ATOM 360 O GLY A 23 11.422 -4.848 -13.470 1.00 0.00 O ATOM 0 H GLY A 23 8.878 -1.766 -12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.573 -3.508 -11.232 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.061 -4.552 -12.543 1.00 0.00 H new ATOM 364 N GLY A 24 12.050 -3.392 -11.874 1.00 0.00 N ATOM 365 CA GLY A 24 13.465 -3.641 -12.082 1.00 0.00 C ATOM 366 C GLY A 24 14.344 -2.667 -11.323 1.00 0.00 C ATOM 367 O GLY A 24 14.760 -1.643 -11.865 1.00 0.00 O ATOM 0 H GLY A 24 11.837 -2.709 -11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.701 -4.658 -11.769 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.690 -3.574 -13.147 1.00 0.00 H new ATOM 371 N GLY A 25 14.629 -2.987 -10.065 1.00 0.00 N ATOM 372 CA GLY A 25 15.466 -2.123 -9.252 1.00 0.00 C ATOM 373 C GLY A 25 14.667 -1.312 -8.252 1.00 0.00 C ATOM 374 O GLY A 25 14.333 -1.798 -7.172 1.00 0.00 O ATOM 0 H GLY A 25 14.296 -3.828 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.199 -2.729 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.022 -1.447 -9.901 1.00 0.00 H new ATOM 378 N ARG A 26 14.362 -0.069 -8.612 1.00 0.00 N ATOM 379 CA ARG A 26 13.601 0.816 -7.737 1.00 0.00 C ATOM 380 C ARG A 26 12.158 0.341 -7.595 1.00 0.00 C ATOM 381 O ARG A 26 11.620 0.297 -6.495 1.00 0.00 O ATOM 382 CB ARG A 26 13.626 2.250 -8.278 1.00 0.00 C ATOM 383 CG ARG A 26 12.606 3.170 -7.623 1.00 0.00 C ATOM 384 CD ARG A 26 13.151 4.577 -7.443 1.00 0.00 C ATOM 385 NE ARG A 26 13.517 4.846 -6.054 1.00 0.00 N ATOM 386 CZ ARG A 26 14.324 5.836 -5.679 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.851 6.652 -6.584 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 14.606 6.011 -4.395 1.00 0.00 N ATOM 0 H ARG A 26 14.630 0.348 -9.503 1.00 0.00 H new ATOM 0 HA ARG A 26 14.068 0.796 -6.752 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.623 2.666 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.444 2.227 -9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.703 3.205 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.320 2.764 -6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.024 4.713 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.403 5.300 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 26 13.132 4.240 -5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.638 6.522 -7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.469 7.409 -6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.205 5.387 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.224 6.770 -4.107 1.00 0.00 H new ATOM 402 N ILE A 27 11.536 0.009 -8.720 1.00 0.00 N ATOM 403 CA ILE A 27 10.148 -0.445 -8.733 1.00 0.00 C ATOM 404 C ILE A 27 9.974 -1.804 -8.055 1.00 0.00 C ATOM 405 O ILE A 27 8.945 -2.067 -7.437 1.00 0.00 O ATOM 406 CB ILE A 27 9.607 -0.535 -10.173 1.00 0.00 C ATOM 407 CG1 ILE A 27 9.973 0.724 -10.966 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.099 -0.742 -10.159 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.745 0.435 -12.235 1.00 0.00 C ATOM 0 H ILE A 27 11.973 0.046 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 27 9.582 0.297 -8.171 1.00 0.00 H new ATOM 0 HB ILE A 27 10.068 -1.392 -10.664 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.060 1.262 -11.220 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.565 1.384 -10.332 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.731 -0.804 -11.183 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.864 -1.667 -9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.621 0.096 -9.652 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.970 1.372 -12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.675 -0.076 -11.987 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.146 -0.199 -12.889 1.00 0.00 H new ATOM 421 N GLU A 28 10.970 -2.674 -8.198 1.00 0.00 N ATOM 422 CA GLU A 28 10.910 -4.018 -7.621 1.00 0.00 C ATOM 423 C GLU A 28 10.852 -3.992 -6.092 1.00 0.00 C ATOM 424 O GLU A 28 10.126 -4.773 -5.479 1.00 0.00 O ATOM 425 CB GLU A 28 12.119 -4.837 -8.077 1.00 0.00 C ATOM 426 CG GLU A 28 11.993 -5.372 -9.494 1.00 0.00 C ATOM 427 CD GLU A 28 11.639 -6.846 -9.531 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.432 -7.660 -9.013 1.00 0.00 O ATOM 429 OE2 GLU A 28 10.569 -7.186 -10.079 1.00 0.00 O1- ATOM 0 H GLU A 28 11.830 -2.474 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 28 9.990 -4.482 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.013 -4.217 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.259 -5.674 -7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.229 -4.805 -10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.933 -5.214 -10.023 1.00 0.00 H new ATOM 436 N GLU A 29 11.633 -3.110 -5.485 1.00 0.00 N ATOM 437 CA GLU A 29 11.684 -2.998 -4.028 1.00 0.00 C ATOM 438 C GLU A 29 10.412 -2.369 -3.458 1.00 0.00 C ATOM 439 O GLU A 29 9.942 -2.752 -2.387 1.00 0.00 O ATOM 440 CB GLU A 29 12.901 -2.173 -3.606 1.00 0.00 C ATOM 441 CG GLU A 29 12.941 -0.786 -4.226 1.00 0.00 C ATOM 442 CD GLU A 29 14.051 0.076 -3.659 1.00 0.00 C ATOM 443 OE1 GLU A 29 14.547 -0.243 -2.557 1.00 0.00 O ATOM 444 OE2 GLU A 29 14.427 1.069 -4.315 1.00 0.00 O1- ATOM 0 H GLU A 29 12.243 -2.458 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 29 11.766 -4.008 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.905 -2.077 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.808 -2.711 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.073 -0.878 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.983 -0.292 -4.063 1.00 0.00 H new ATOM 451 N LEU A 30 9.884 -1.381 -4.167 1.00 0.00 N ATOM 452 CA LEU A 30 8.697 -0.660 -3.737 1.00 0.00 C ATOM 453 C LEU A 30 7.497 -1.584 -3.529 1.00 0.00 C ATOM 454 O LEU A 30 6.800 -1.484 -2.520 1.00 0.00 O ATOM 455 CB LEU A 30 8.364 0.406 -4.781 1.00 0.00 C ATOM 456 CG LEU A 30 8.037 1.791 -4.223 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.306 2.487 -3.757 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.323 2.629 -5.273 1.00 0.00 C ATOM 0 H LEU A 30 10.267 -1.058 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 30 8.910 -0.199 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.209 0.498 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.514 0.060 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 30 7.374 1.674 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.057 3.472 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.781 1.893 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.991 2.596 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.097 3.613 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.964 2.741 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.396 2.135 -5.564 1.00 0.00 H new ATOM 470 N LYS A 31 7.254 -2.477 -4.482 1.00 0.00 N ATOM 471 CA LYS A 31 6.128 -3.402 -4.382 1.00 0.00 C ATOM 472 C LYS A 31 6.313 -4.383 -3.234 1.00 0.00 C ATOM 473 O LYS A 31 5.343 -4.783 -2.601 1.00 0.00 O ATOM 474 CB LYS A 31 5.895 -4.158 -5.687 1.00 0.00 C ATOM 475 CG LYS A 31 7.168 -4.588 -6.395 1.00 0.00 C ATOM 476 CD LYS A 31 7.121 -6.061 -6.772 1.00 0.00 C ATOM 477 CE LYS A 31 8.093 -6.385 -7.895 1.00 0.00 C ATOM 478 NZ LYS A 31 9.337 -7.026 -7.385 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.816 -2.581 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 31 5.244 -2.797 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.292 -5.042 -5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.314 -3.528 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.309 -3.985 -7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.026 -4.403 -5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.359 -6.668 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.109 -6.326 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.611 -7.049 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.349 -5.470 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.811 -7.530 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.973 -6.296 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.096 -7.700 -6.631 1.00 0.00 H new ATOM 492 N LYS A 32 7.556 -4.778 -2.973 1.00 0.00 N ATOM 493 CA LYS A 32 7.838 -5.723 -1.896 1.00 0.00 C ATOM 494 C LYS A 32 7.293 -5.189 -0.577 1.00 0.00 C ATOM 495 O LYS A 32 6.727 -5.934 0.222 1.00 0.00 O ATOM 496 CB LYS A 32 9.344 -5.969 -1.782 1.00 0.00 C ATOM 497 CG LYS A 32 9.919 -6.763 -2.944 1.00 0.00 C ATOM 498 CD LYS A 32 11.431 -6.878 -2.846 1.00 0.00 C ATOM 499 CE LYS A 32 11.997 -7.752 -3.953 1.00 0.00 C ATOM 500 NZ LYS A 32 13.183 -8.527 -3.497 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.378 -4.462 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 32 7.348 -6.669 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.857 -5.009 -1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.548 -6.501 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.478 -7.759 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.650 -6.281 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.877 -5.885 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.703 -7.296 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.227 -8.439 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.276 -7.128 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.539 -9.110 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.928 -7.871 -3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.912 -9.142 -2.704 1.00 0.00 H new ATOM 514 N LYS A 33 7.445 -3.886 -0.373 1.00 0.00 N ATOM 515 CA LYS A 33 6.948 -3.231 0.825 1.00 0.00 C ATOM 516 C LYS A 33 5.424 -3.255 0.839 1.00 0.00 C ATOM 517 O LYS A 33 4.798 -3.371 1.892 1.00 0.00 O ATOM 518 CB LYS A 33 7.454 -1.790 0.886 1.00 0.00 C ATOM 519 CG LYS A 33 7.329 -1.163 2.261 1.00 0.00 C ATOM 520 CD LYS A 33 8.461 -1.598 3.179 1.00 0.00 C ATOM 521 CE LYS A 33 8.009 -2.678 4.150 1.00 0.00 C ATOM 522 NZ LYS A 33 9.033 -3.748 4.308 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.913 -3.260 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 33 7.316 -3.768 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.499 -1.767 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.897 -1.187 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.332 -0.077 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.373 -1.442 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.293 -1.970 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.829 -0.737 3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.801 -2.229 5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.077 -3.118 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.686 -4.464 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.214 -4.194 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.915 -3.333 4.671 1.00 0.00 H new ATOM 536 N TYR A 34 4.836 -3.134 -0.349 1.00 0.00 N ATOM 537 CA TYR A 34 3.387 -3.128 -0.500 1.00 0.00 C ATOM 538 C TYR A 34 2.757 -4.387 0.094 1.00 0.00 C ATOM 539 O TYR A 34 1.680 -4.323 0.681 1.00 0.00 O ATOM 540 CB TYR A 34 3.005 -2.993 -1.981 1.00 0.00 C ATOM 541 CG TYR A 34 2.180 -1.763 -2.273 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.871 -1.659 -1.822 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.712 -0.703 -2.995 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.117 -0.532 -2.081 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.962 0.425 -3.260 1.00 0.00 C ATOM 546 CZ TYR A 34 0.667 0.506 -2.800 1.00 0.00 C ATOM 547 OH TYR A 34 -0.082 1.630 -3.054 1.00 0.00 O ATOM 0 H TYR A 34 5.348 -3.038 -1.226 1.00 0.00 H new ATOM 0 HA TYR A 34 3.000 -2.269 0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.913 -2.964 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.447 -3.878 -2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.436 -2.472 -1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.729 -0.762 -3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.899 -0.465 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.389 1.240 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.017 1.461 -2.816 1.00 0.00 H new ATOM 557 N GLU A 35 3.426 -5.527 -0.058 1.00 0.00 N ATOM 558 CA GLU A 35 2.918 -6.790 0.469 1.00 0.00 C ATOM 559 C GLU A 35 2.663 -6.690 1.970 1.00 0.00 C ATOM 560 O GLU A 35 1.638 -7.154 2.468 1.00 0.00 O ATOM 561 CB GLU A 35 3.909 -7.921 0.183 1.00 0.00 C ATOM 562 CG GLU A 35 3.734 -8.553 -1.188 1.00 0.00 C ATOM 563 CD GLU A 35 2.596 -9.555 -1.226 1.00 0.00 C ATOM 564 OE1 GLU A 35 1.631 -9.389 -0.453 1.00 0.00 O ATOM 565 OE2 GLU A 35 2.673 -10.508 -2.031 1.00 0.00 O1- ATOM 0 H GLU A 35 4.321 -5.602 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 35 1.973 -7.009 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.924 -7.533 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.798 -8.692 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.549 -7.771 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.661 -9.050 -1.476 1.00 0.00 H new ATOM 572 N GLU A 36 3.601 -6.074 2.681 1.00 0.00 N ATOM 573 CA GLU A 36 3.482 -5.901 4.124 1.00 0.00 C ATOM 574 C GLU A 36 2.208 -5.139 4.469 1.00 0.00 C ATOM 575 O GLU A 36 1.552 -5.424 5.468 1.00 0.00 O ATOM 576 CB GLU A 36 4.702 -5.158 4.673 1.00 0.00 C ATOM 577 CG GLU A 36 4.666 -4.960 6.179 1.00 0.00 C ATOM 578 CD GLU A 36 5.933 -4.317 6.711 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.176 -3.133 6.395 1.00 0.00 O ATOM 580 OE2 GLU A 36 6.680 -4.998 7.444 1.00 0.00 O1- ATOM 0 H GLU A 36 4.454 -5.685 2.280 1.00 0.00 H new ATOM 0 HA GLU A 36 3.433 -6.888 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.603 -5.711 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.772 -4.184 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.810 -4.338 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.520 -5.924 6.666 1.00 0.00 H new ATOM 587 N LEU A 37 1.876 -4.163 3.634 1.00 0.00 N ATOM 588 CA LEU A 37 0.688 -3.337 3.831 1.00 0.00 C ATOM 589 C LEU A 37 -0.582 -4.182 3.862 1.00 0.00 C ATOM 590 O LEU A 37 -1.446 -3.984 4.711 1.00 0.00 O ATOM 591 CB LEU A 37 0.595 -2.309 2.700 1.00 0.00 C ATOM 592 CG LEU A 37 0.734 -0.844 3.115 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.607 -0.286 3.565 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.775 -0.686 4.215 1.00 0.00 C ATOM 0 H LEU A 37 2.418 -3.921 2.805 1.00 0.00 H new ATOM 0 HA LEU A 37 0.778 -2.832 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.369 -2.534 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.365 -2.435 2.199 1.00 0.00 H new ATOM 0 HG LEU A 37 1.070 -0.277 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.488 0.758 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.323 -0.354 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.973 -0.861 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.855 0.365 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.476 -1.269 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.741 -1.041 3.855 1.00 0.00 H new ATOM 606 N LYS A 38 -0.691 -5.113 2.925 1.00 0.00 N ATOM 607 CA LYS A 38 -1.858 -5.985 2.832 1.00 0.00 C ATOM 608 C LYS A 38 -2.111 -6.727 4.144 1.00 0.00 C ATOM 609 O LYS A 38 -3.255 -6.901 4.556 1.00 0.00 O ATOM 610 CB LYS A 38 -1.676 -6.993 1.695 1.00 0.00 C ATOM 611 CG LYS A 38 -1.466 -6.345 0.335 1.00 0.00 C ATOM 612 CD LYS A 38 -0.922 -7.340 -0.676 1.00 0.00 C ATOM 613 CE LYS A 38 -2.029 -8.204 -1.263 1.00 0.00 C ATOM 614 NZ LYS A 38 -1.748 -9.657 -1.092 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.019 -5.286 2.213 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.724 -5.356 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.822 -7.631 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.553 -7.639 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.411 -5.938 -0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.775 -5.508 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.414 -6.804 -1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.178 -7.977 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.976 -7.958 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.142 -7.978 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.525 -10.212 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.858 -9.897 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.665 -9.878 -0.079 1.00 0.00 H new ATOM 628 N LYS A 39 -1.034 -7.172 4.782 1.00 0.00 N ATOM 629 CA LYS A 39 -1.130 -7.910 6.040 1.00 0.00 C ATOM 630 C LYS A 39 -1.694 -7.043 7.165 1.00 0.00 C ATOM 631 O LYS A 39 -2.442 -7.525 8.013 1.00 0.00 O ATOM 632 CB LYS A 39 0.245 -8.446 6.441 1.00 0.00 C ATOM 633 CG LYS A 39 0.913 -9.281 5.360 1.00 0.00 C ATOM 634 CD LYS A 39 2.288 -9.759 5.796 1.00 0.00 C ATOM 635 CE LYS A 39 2.729 -10.981 5.005 1.00 0.00 C ATOM 636 NZ LYS A 39 3.651 -11.848 5.789 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.080 -7.035 4.448 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.816 -8.742 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.893 -7.607 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.141 -9.050 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.286 -10.141 5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.004 -8.692 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.013 -8.956 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.271 -9.999 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.852 -11.558 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.224 -10.661 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.928 -12.669 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.499 -11.306 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.171 -12.175 6.651 1.00 0.00 H new ATOM 650 N LYS A 40 -1.313 -5.771 7.178 1.00 0.00 N ATOM 651 CA LYS A 40 -1.758 -4.834 8.208 1.00 0.00 C ATOM 652 C LYS A 40 -3.278 -4.690 8.224 1.00 0.00 C ATOM 653 O LYS A 40 -3.908 -4.724 9.281 1.00 0.00 O ATOM 654 CB LYS A 40 -1.108 -3.470 7.970 1.00 0.00 C ATOM 655 CG LYS A 40 -0.251 -2.998 9.129 1.00 0.00 C ATOM 656 CD LYS A 40 -0.658 -1.612 9.603 1.00 0.00 C ATOM 657 CE LYS A 40 -1.763 -1.682 10.644 1.00 0.00 C ATOM 658 NZ LYS A 40 -1.668 -0.570 11.630 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.692 -5.360 6.481 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.454 -5.228 9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.493 -3.521 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.888 -2.733 7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.335 -3.704 9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.796 -2.986 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.208 -1.101 10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.995 -1.020 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.733 -1.645 10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.709 -2.637 11.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.439 -0.653 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.753 -0.620 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.745 0.341 11.134 1.00 0.00 H new ATOM 672 N ILE A 41 -3.852 -4.528 7.043 1.00 0.00 N ATOM 673 CA ILE A 41 -5.295 -4.374 6.894 1.00 0.00 C ATOM 674 C ILE A 41 -6.019 -5.630 7.358 1.00 0.00 C ATOM 675 O ILE A 41 -7.108 -5.562 7.927 1.00 0.00 O ATOM 676 CB ILE A 41 -5.674 -4.072 5.430 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.898 -2.854 4.924 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.175 -3.839 5.301 1.00 0.00 C ATOM 679 CD1 ILE A 41 -5.047 -2.619 3.436 1.00 0.00 C ATOM 0 H ILE A 41 -3.337 -4.499 6.163 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.602 -3.532 7.515 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.409 -4.934 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.239 -1.968 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.842 -2.983 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.422 -3.627 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.711 -4.730 5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.467 -2.992 5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.471 -1.740 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.680 -3.489 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.098 -2.458 3.196 1.00 0.00 H new ATOM 691 N GLU A 42 -5.397 -6.776 7.124 1.00 0.00 N ATOM 692 CA GLU A 42 -5.963 -8.051 7.530 1.00 0.00 C ATOM 693 C GLU A 42 -6.132 -8.089 9.043 1.00 0.00 C ATOM 694 O GLU A 42 -7.063 -8.705 9.563 1.00 0.00 O ATOM 695 CB GLU A 42 -5.064 -9.202 7.071 1.00 0.00 C ATOM 696 CG GLU A 42 -5.511 -9.839 5.765 1.00 0.00 C ATOM 697 CD GLU A 42 -4.710 -11.078 5.418 1.00 0.00 C ATOM 698 OE1 GLU A 42 -3.505 -10.942 5.116 1.00 0.00 O ATOM 699 OE2 GLU A 42 -5.287 -12.186 5.447 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.495 -6.847 6.652 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.941 -8.165 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.045 -8.832 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.040 -9.966 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.567 -10.101 5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.416 -9.112 4.959 1.00 0.00 H new ATOM 706 N GLU A 43 -5.215 -7.428 9.744 1.00 0.00 N ATOM 707 CA GLU A 43 -5.246 -7.383 11.202 1.00 0.00 C ATOM 708 C GLU A 43 -6.199 -6.302 11.708 1.00 0.00 C ATOM 709 O GLU A 43 -6.656 -6.355 12.849 1.00 0.00 O ATOM 710 CB GLU A 43 -3.840 -7.138 11.753 1.00 0.00 C ATOM 711 CG GLU A 43 -3.056 -8.414 12.009 1.00 0.00 C ATOM 712 CD GLU A 43 -2.011 -8.248 13.095 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.127 -7.379 12.939 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -2.076 -8.987 14.100 1.00 0.00 O ATOM 0 H GLU A 43 -4.440 -6.915 9.324 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.610 -8.347 11.557 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.286 -6.516 11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.916 -6.576 12.684 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.746 -9.209 12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.569 -8.728 11.086 1.00 0.00 H new ATOM 721 N LEU A 44 -6.492 -5.320 10.859 1.00 0.00 N ATOM 722 CA LEU A 44 -7.390 -4.231 11.234 1.00 0.00 C ATOM 723 C LEU A 44 -8.732 -4.771 11.720 1.00 0.00 C ATOM 724 O LEU A 44 -9.327 -5.644 11.088 1.00 0.00 O ATOM 725 CB LEU A 44 -7.607 -3.288 10.047 1.00 0.00 C ATOM 726 CG LEU A 44 -6.694 -2.063 10.014 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.907 -1.279 8.728 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.945 -1.179 11.227 1.00 0.00 C ATOM 0 H LEU A 44 -6.122 -5.256 9.910 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.925 -3.678 12.050 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.465 -3.852 9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.643 -2.949 10.057 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.658 -2.401 10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.250 -0.409 8.719 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.679 -1.915 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.945 -0.950 8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.286 -0.311 11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.983 -0.847 11.227 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.745 -1.745 12.137 1.00 0.00 H new ATOM 740 N GLY A 45 -9.203 -4.247 12.847 1.00 0.00 N ATOM 741 CA GLY A 45 -10.470 -4.688 13.399 1.00 0.00 C ATOM 742 C GLY A 45 -11.456 -3.549 13.572 1.00 0.00 C ATOM 743 O GLY A 45 -12.260 -3.552 14.504 1.00 0.00 O ATOM 0 H GLY A 45 -8.729 -3.524 13.388 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.904 -5.444 12.745 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.296 -5.164 14.364 1.00 0.00 H new ATOM 747 N GLY A 46 -11.396 -2.575 12.669 1.00 0.00 N ATOM 748 CA GLY A 46 -12.297 -1.440 12.744 1.00 0.00 C ATOM 749 C GLY A 46 -11.921 -0.473 13.849 1.00 0.00 C ATOM 750 O GLY A 46 -11.049 -0.763 14.668 1.00 0.00 O ATOM 0 H GLY A 46 -10.740 -2.552 11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.294 -0.914 11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.314 -1.797 12.908 1.00 0.00 H new ATOM 754 N GLY A 47 -12.581 0.681 13.872 1.00 0.00 N ATOM 755 CA GLY A 47 -12.299 1.677 14.890 1.00 0.00 C ATOM 756 C GLY A 47 -11.557 2.878 14.335 1.00 0.00 C ATOM 757 O GLY A 47 -11.938 3.428 13.302 1.00 0.00 O ATOM 0 H GLY A 47 -13.306 0.944 13.204 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.235 2.008 15.340 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.707 1.223 15.684 1.00 0.00 H new ATOM 761 N GLY A 48 -10.496 3.284 15.023 1.00 0.00 N ATOM 762 CA GLY A 48 -9.714 4.424 14.580 1.00 0.00 C ATOM 763 C GLY A 48 -8.303 4.039 14.180 1.00 0.00 C ATOM 764 O GLY A 48 -7.371 4.830 14.327 1.00 0.00 O ATOM 0 H GLY A 48 -10.163 2.844 15.881 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.213 4.896 13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.673 5.165 15.379 1.00 0.00 H new ATOM 768 N GLU A 49 -8.145 2.820 13.675 1.00 0.00 N ATOM 769 CA GLU A 49 -6.838 2.330 13.253 1.00 0.00 C ATOM 770 C GLU A 49 -6.759 2.212 11.734 1.00 0.00 C ATOM 771 O GLU A 49 -5.674 2.248 11.155 1.00 0.00 O ATOM 772 CB GLU A 49 -6.547 0.973 13.896 1.00 0.00 C ATOM 773 CG GLU A 49 -5.172 0.421 13.556 1.00 0.00 C ATOM 774 CD GLU A 49 -4.363 0.065 14.788 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.893 0.994 15.478 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -4.199 -1.143 15.062 1.00 0.00 O ATOM 0 H GLU A 49 -8.906 2.153 13.548 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.088 3.050 13.581 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.634 1.067 14.978 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.305 0.259 13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.285 -0.466 12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.625 1.157 12.967 1.00 0.00 H new ATOM 783 N VAL A 50 -7.916 2.069 11.092 1.00 0.00 N ATOM 784 CA VAL A 50 -7.974 1.944 9.639 1.00 0.00 C ATOM 785 C VAL A 50 -7.299 3.127 8.952 1.00 0.00 C ATOM 786 O VAL A 50 -6.760 2.992 7.854 1.00 0.00 O ATOM 787 CB VAL A 50 -9.427 1.836 9.139 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.988 0.448 9.413 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.295 2.908 9.781 1.00 0.00 C ATOM 0 H VAL A 50 -8.824 2.037 11.555 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.440 1.028 9.384 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.432 1.996 8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.015 0.393 9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.382 -0.298 8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.969 0.253 10.485 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.318 2.815 9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.284 2.785 10.864 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.906 3.893 9.524 1.00 0.00 H new ATOM 799 N LYS A 51 -7.334 4.284 9.604 1.00 0.00 N ATOM 800 CA LYS A 51 -6.726 5.491 9.054 1.00 0.00 C ATOM 801 C LYS A 51 -5.203 5.383 9.035 1.00 0.00 C ATOM 802 O LYS A 51 -4.539 6.000 8.203 1.00 0.00 O ATOM 803 CB LYS A 51 -7.152 6.715 9.866 1.00 0.00 C ATOM 804 CG LYS A 51 -8.580 7.160 9.594 1.00 0.00 C ATOM 805 CD LYS A 51 -9.587 6.272 10.309 1.00 0.00 C ATOM 806 CE LYS A 51 -10.711 7.088 10.926 1.00 0.00 C ATOM 807 NZ LYS A 51 -11.549 7.751 9.889 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.777 4.412 10.514 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.073 5.603 8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.046 6.491 10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.475 7.540 9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.709 8.192 9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.771 7.138 8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.003 5.552 9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.081 5.701 11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.337 6.439 11.538 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.290 7.843 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.304 8.298 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.957 8.390 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.972 7.029 9.271 1.00 0.00 H new ATOM 821 N LYS A 52 -4.655 4.601 9.961 1.00 0.00 N ATOM 822 CA LYS A 52 -3.210 4.420 10.054 1.00 0.00 C ATOM 823 C LYS A 52 -2.668 3.661 8.845 1.00 0.00 C ATOM 824 O LYS A 52 -1.573 3.948 8.361 1.00 0.00 O ATOM 825 CB LYS A 52 -2.852 3.672 11.339 1.00 0.00 C ATOM 826 CG LYS A 52 -3.453 4.288 12.591 1.00 0.00 C ATOM 827 CD LYS A 52 -2.614 5.451 13.098 1.00 0.00 C ATOM 828 CE LYS A 52 -3.475 6.518 13.756 1.00 0.00 C ATOM 829 NZ LYS A 52 -3.278 6.559 15.231 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.190 4.083 10.658 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.750 5.408 10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.190 2.639 11.254 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.767 3.644 11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.465 4.633 12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.532 3.529 13.369 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.878 5.085 13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.061 5.890 12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.234 7.492 13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.525 6.324 13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.882 7.299 15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.532 5.638 15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.282 6.769 15.442 1.00 0.00 H new ATOM 843 N VAL A 53 -3.437 2.689 8.367 1.00 0.00 N ATOM 844 CA VAL A 53 -3.032 1.886 7.219 1.00 0.00 C ATOM 845 C VAL A 53 -3.083 2.695 5.927 1.00 0.00 C ATOM 846 O VAL A 53 -2.219 2.550 5.066 1.00 0.00 O ATOM 847 CB VAL A 53 -3.919 0.632 7.072 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.502 -0.192 5.861 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.863 -0.205 8.340 1.00 0.00 C ATOM 0 H VAL A 53 -4.345 2.438 8.757 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.003 1.574 7.399 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.948 0.956 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.143 -1.070 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.599 0.412 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.465 -0.509 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.493 -1.086 8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.835 -0.516 8.525 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.221 0.387 9.183 1.00 0.00 H new ATOM 859 N GLU A 54 -4.099 3.540 5.792 1.00 0.00 N ATOM 860 CA GLU A 54 -4.249 4.364 4.597 1.00 0.00 C ATOM 861 C GLU A 54 -3.048 5.288 4.422 1.00 0.00 C ATOM 862 O GLU A 54 -2.627 5.568 3.301 1.00 0.00 O ATOM 863 CB GLU A 54 -5.534 5.190 4.679 1.00 0.00 C ATOM 864 CG GLU A 54 -6.782 4.353 4.912 1.00 0.00 C ATOM 865 CD GLU A 54 -7.837 5.090 5.715 1.00 0.00 C ATOM 866 OE1 GLU A 54 -7.943 6.326 5.563 1.00 0.00 O ATOM 867 OE2 GLU A 54 -8.557 4.431 6.494 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.829 3.673 6.492 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.306 3.702 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.438 5.917 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.653 5.755 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.202 4.059 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.508 3.436 5.434 1.00 0.00 H new ATOM 874 N GLU A 55 -2.504 5.756 5.539 1.00 0.00 N ATOM 875 CA GLU A 55 -1.347 6.647 5.523 1.00 0.00 C ATOM 876 C GLU A 55 -0.086 5.908 5.083 1.00 0.00 C ATOM 877 O GLU A 55 0.772 6.470 4.404 1.00 0.00 O ATOM 878 CB GLU A 55 -1.133 7.260 6.909 1.00 0.00 C ATOM 879 CG GLU A 55 -2.160 8.322 7.269 1.00 0.00 C ATOM 880 CD GLU A 55 -1.591 9.727 7.206 1.00 0.00 C ATOM 881 OE1 GLU A 55 -0.879 10.036 6.228 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 -1.859 10.518 8.135 1.00 0.00 O ATOM 0 H GLU A 55 -2.847 5.532 6.473 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.546 7.441 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.165 6.467 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.137 7.700 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.009 8.247 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.538 8.131 8.273 1.00 0.00 H new ATOM 889 N GLU A 56 0.025 4.651 5.497 1.00 0.00 N ATOM 890 CA GLU A 56 1.187 3.827 5.174 1.00 0.00 C ATOM 891 C GLU A 56 1.383 3.691 3.666 1.00 0.00 C ATOM 892 O GLU A 56 2.496 3.838 3.160 1.00 0.00 O ATOM 893 CB GLU A 56 1.016 2.442 5.801 1.00 0.00 C ATOM 894 CG GLU A 56 1.867 2.225 7.040 1.00 0.00 C ATOM 895 CD GLU A 56 3.349 2.157 6.726 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.809 2.930 5.860 1.00 0.00 O ATOM 897 OE2 GLU A 56 4.049 1.330 7.347 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.680 4.176 6.061 1.00 0.00 H new ATOM 0 HA GLU A 56 2.073 4.316 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.033 2.297 6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.268 1.683 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.686 3.035 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.560 1.301 7.529 1.00 0.00 H new ATOM 904 N VAL A 57 0.301 3.410 2.955 1.00 0.00 N ATOM 905 CA VAL A 57 0.352 3.253 1.508 1.00 0.00 C ATOM 906 C VAL A 57 0.647 4.583 0.816 1.00 0.00 C ATOM 907 O VAL A 57 1.328 4.623 -0.204 1.00 0.00 O ATOM 908 CB VAL A 57 -0.959 2.647 0.953 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.017 3.720 0.724 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.682 1.874 -0.330 1.00 0.00 C ATOM 0 H VAL A 57 -0.627 3.285 3.359 1.00 0.00 H new ATOM 0 HA VAL A 57 1.166 2.560 1.293 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.353 1.956 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.924 3.259 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.240 4.218 1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.644 4.451 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.613 1.453 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.257 2.546 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.023 1.069 -0.124 1.00 0.00 H new ATOM 920 N LYS A 58 0.121 5.666 1.382 1.00 0.00 N ATOM 921 CA LYS A 58 0.315 7.003 0.825 1.00 0.00 C ATOM 922 C LYS A 58 1.798 7.317 0.647 1.00 0.00 C ATOM 923 O LYS A 58 2.185 8.018 -0.286 1.00 0.00 O ATOM 924 CB LYS A 58 -0.338 8.052 1.730 1.00 0.00 C ATOM 925 CG LYS A 58 -1.598 8.662 1.140 1.00 0.00 C ATOM 926 CD LYS A 58 -1.288 9.921 0.347 1.00 0.00 C ATOM 927 CE LYS A 58 -2.108 9.991 -0.930 1.00 0.00 C ATOM 928 NZ LYS A 58 -2.381 11.396 -1.340 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.445 5.644 2.230 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.158 7.031 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.581 7.593 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.381 8.846 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.087 7.934 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.299 8.898 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.493 10.798 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.226 9.945 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.577 9.476 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.052 9.466 -0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.943 11.399 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.910 11.881 -0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.481 11.891 -1.504 1.00 0.00 H new ATOM 942 N LYS A 59 2.623 6.798 1.544 1.00 0.00 N ATOM 943 CA LYS A 59 4.063 7.023 1.477 1.00 0.00 C ATOM 944 C LYS A 59 4.661 6.316 0.262 1.00 0.00 C ATOM 945 O LYS A 59 5.577 6.826 -0.382 1.00 0.00 O ATOM 946 CB LYS A 59 4.740 6.522 2.753 1.00 0.00 C ATOM 947 CG LYS A 59 4.084 7.025 4.028 1.00 0.00 C ATOM 948 CD LYS A 59 4.432 6.146 5.218 1.00 0.00 C ATOM 949 CE LYS A 59 5.877 6.336 5.651 1.00 0.00 C ATOM 950 NZ LYS A 59 5.978 7.048 6.954 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.322 6.218 2.327 1.00 0.00 H new ATOM 0 HA LYS A 59 4.236 8.095 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.731 5.432 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.785 6.832 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.405 8.048 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.002 7.050 3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.768 6.380 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.263 5.100 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.363 5.363 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.414 6.899 4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.979 7.157 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.537 7.986 6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.488 6.499 7.689 1.00 0.00 H new ATOM 964 N LEU A 60 4.142 5.128 -0.026 1.00 0.00 N ATOM 965 CA LEU A 60 4.619 4.319 -1.146 1.00 0.00 C ATOM 966 C LEU A 60 4.489 5.049 -2.483 1.00 0.00 C ATOM 967 O LEU A 60 5.411 5.033 -3.298 1.00 0.00 O ATOM 968 CB LEU A 60 3.841 3.003 -1.198 1.00 0.00 C ATOM 969 CG LEU A 60 4.624 1.802 -1.727 1.00 0.00 C ATOM 970 CD1 LEU A 60 4.920 1.970 -3.209 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.913 1.617 -0.940 1.00 0.00 C ATOM 0 H LEU A 60 3.384 4.699 0.505 1.00 0.00 H new ATOM 0 HA LEU A 60 5.679 4.122 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.485 2.770 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.960 3.145 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 60 4.013 0.908 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.478 1.106 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.983 2.052 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.511 2.873 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.458 0.757 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.529 2.511 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.677 1.450 0.111 1.00 0.00 H new ATOM 983 N GLU A 61 3.341 5.678 -2.711 1.00 0.00 N ATOM 984 CA GLU A 61 3.099 6.399 -3.959 1.00 0.00 C ATOM 985 C GLU A 61 3.978 7.641 -4.061 1.00 0.00 C ATOM 986 O GLU A 61 4.396 8.023 -5.151 1.00 0.00 O ATOM 987 CB GLU A 61 1.622 6.780 -4.093 1.00 0.00 C ATOM 988 CG GLU A 61 1.081 7.585 -2.924 1.00 0.00 C ATOM 989 CD GLU A 61 1.520 9.037 -2.959 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.974 9.494 -4.029 1.00 0.00 O ATOM 991 OE2 GLU A 61 1.407 9.717 -1.917 1.00 0.00 O1- ATOM 0 H GLU A 61 2.564 5.704 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 61 3.360 5.731 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.488 7.355 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.031 5.870 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.008 7.539 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.414 7.131 -1.991 1.00 0.00 H new ATOM 998 N GLU A 62 4.249 8.270 -2.923 1.00 0.00 N ATOM 999 CA GLU A 62 5.076 9.473 -2.886 1.00 0.00 C ATOM 1000 C GLU A 62 6.419 9.227 -3.563 1.00 0.00 C ATOM 1001 O GLU A 62 6.950 10.094 -4.255 1.00 0.00 O ATOM 1002 CB GLU A 62 5.294 9.924 -1.441 1.00 0.00 C ATOM 1003 CG GLU A 62 4.222 10.875 -0.932 1.00 0.00 C ATOM 1004 CD GLU A 62 4.705 12.311 -0.856 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.918 12.922 -1.924 1.00 0.00 O1- ATOM 1006 OE2 GLU A 62 4.871 12.822 0.271 1.00 0.00 O ATOM 0 H GLU A 62 3.908 7.967 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 62 4.554 10.261 -3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.325 9.046 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.266 10.411 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.353 10.822 -1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.895 10.553 0.057 1.00 0.00 H new ATOM 1013 N GLU A 63 6.959 8.033 -3.364 1.00 0.00 N ATOM 1014 CA GLU A 63 8.233 7.659 -3.961 1.00 0.00 C ATOM 1015 C GLU A 63 8.077 7.437 -5.460 1.00 0.00 C ATOM 1016 O GLU A 63 8.999 7.683 -6.238 1.00 0.00 O ATOM 1017 CB GLU A 63 8.782 6.393 -3.300 1.00 0.00 C ATOM 1018 CG GLU A 63 8.728 6.426 -1.782 1.00 0.00 C ATOM 1019 CD GLU A 63 9.776 7.343 -1.181 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.224 8.273 -1.883 1.00 0.00 O1- ATOM 1021 OE2 GLU A 63 10.148 7.129 -0.007 1.00 0.00 O ATOM 0 H GLU A 63 6.533 7.304 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 63 8.938 8.475 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.216 5.533 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.815 6.248 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.738 6.754 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.869 5.417 -1.395 1.00 0.00 H new ATOM 1028 N ILE A 64 6.904 6.950 -5.854 1.00 0.00 N ATOM 1029 CA ILE A 64 6.620 6.669 -7.259 1.00 0.00 C ATOM 1030 C ILE A 64 6.743 7.918 -8.133 1.00 0.00 C ATOM 1031 O ILE A 64 7.174 7.834 -9.283 1.00 0.00 O ATOM 1032 CB ILE A 64 5.209 6.069 -7.437 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.039 4.835 -6.548 1.00 0.00 C ATOM 1034 CG2 ILE A 64 4.960 5.711 -8.895 1.00 0.00 C ATOM 1035 CD1 ILE A 64 3.672 4.194 -6.655 1.00 0.00 C ATOM 0 H ILE A 64 6.133 6.741 -5.219 1.00 0.00 H new ATOM 0 HA ILE A 64 7.367 5.944 -7.581 1.00 0.00 H new ATOM 0 HB ILE A 64 4.476 6.818 -7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.798 4.099 -6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.218 5.118 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.960 5.290 -9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.042 6.608 -9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.699 4.979 -9.221 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.625 3.326 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.908 4.914 -6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.497 3.880 -7.684 1.00 0.00 H new ATOM 1047 N LYS A 65 6.359 9.070 -7.595 1.00 0.00 N ATOM 1048 CA LYS A 65 6.430 10.317 -8.347 1.00 0.00 C ATOM 1049 C LYS A 65 7.874 10.784 -8.495 1.00 0.00 C ATOM 1050 O LYS A 65 8.222 11.454 -9.467 1.00 0.00 O ATOM 1051 CB LYS A 65 5.592 11.397 -7.663 1.00 0.00 C ATOM 1052 CG LYS A 65 6.000 11.667 -6.227 1.00 0.00 C ATOM 1053 CD LYS A 65 5.696 13.098 -5.823 1.00 0.00 C ATOM 1054 CE LYS A 65 6.838 14.033 -6.182 1.00 0.00 C ATOM 1055 NZ LYS A 65 6.719 14.546 -7.574 1.00 0.00 N1+ ATOM 0 H LYS A 65 5.997 9.166 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 65 6.027 10.136 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.671 12.322 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.544 11.099 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.474 10.981 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.066 11.473 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.783 13.431 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.512 13.143 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.853 14.872 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.786 13.508 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.175 15.478 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.184 13.885 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.714 14.634 -7.827 1.00 0.00 H new ATOM 1069 N LYS A 66 8.711 10.422 -7.529 1.00 0.00 N ATOM 1070 CA LYS A 66 10.118 10.802 -7.558 1.00 0.00 C ATOM 1071 C LYS A 66 10.884 9.976 -8.589 1.00 0.00 C ATOM 1072 O LYS A 66 11.947 10.382 -9.057 1.00 0.00 O ATOM 1073 CB LYS A 66 10.747 10.620 -6.176 1.00 0.00 C ATOM 1074 CG LYS A 66 10.368 11.711 -5.187 1.00 0.00 C ATOM 1075 CD LYS A 66 11.550 12.113 -4.319 1.00 0.00 C ATOM 1076 CE LYS A 66 11.250 13.365 -3.511 1.00 0.00 C ATOM 1077 NZ LYS A 66 12.420 14.284 -3.454 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.440 9.867 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 66 10.178 11.853 -7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.444 9.654 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.832 10.596 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.000 12.582 -5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.553 11.362 -4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.801 11.295 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.423 12.286 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.400 13.886 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.961 13.083 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.174 15.125 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.224 13.796 -3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.681 14.574 -4.418 1.00 0.00 H new ATOM 1091 N LEU A 67 10.336 8.815 -8.940 1.00 0.00 N ATOM 1092 CA LEU A 67 10.970 7.935 -9.915 1.00 0.00 C ATOM 1093 C LEU A 67 10.257 8.012 -11.262 1.00 0.00 C ATOM 1094 O LEU A 67 10.939 7.875 -12.300 1.00 0.00 O ATOM 1095 CB LEU A 67 10.987 6.492 -9.393 1.00 0.00 C ATOM 1096 CG LEU A 67 9.675 5.713 -9.542 1.00 0.00 C ATOM 1097 CD1 LEU A 67 9.515 5.187 -10.962 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.619 4.568 -8.540 1.00 0.00 C ATOM 1099 OXT LEU A 67 9.024 8.208 -11.267 1.00 0.00 O ATOM 0 H LEU A 67 9.456 8.463 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 67 11.998 8.266 -10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.773 5.946 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.259 6.511 -8.338 1.00 0.00 H new ATOM 0 HG LEU A 67 8.849 6.395 -9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.577 4.638 -11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.507 6.023 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.346 4.523 -11.200 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.681 4.026 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.455 3.891 -8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.681 4.967 -7.528 1.00 0.00 H new