USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 888 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 Set 1.1: A 73 LYS NZ :NH3+ 136:sc= 0.999 (180deg=-0.167) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.936 K(o=1.9,f=-2.4) USER MOD Set 2.1: A 33 ASN : amide:sc= -1.19 K(o=-2,f=-3.5!) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.14) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 1.12 (180deg=0.502) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.13) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.11) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.14) USER MOD Single : A 26 GLN : amide:sc= 0.996 K(o=1,f=-6.7!) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.08) USER MOD Single : A 34 TYR OH : rot 93:sc= 1.14 USER MOD Single : A 37 ASN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -144:sc= 1.25 (180deg=1.12) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 49 SER OG : rot 80:sc= 0.804 USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 1.26 (180deg=0.763) USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= 1.24 (180deg=1.11) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.12) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 1.29 (180deg=1.28) USER MOD Single : A 70 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -154:sc= 1.27 (180deg=1.16) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.12) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 85:sc= 0.0428 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.25) USER MOD Single : A 96 THR OG1 : rot 77:sc= 0.505 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -116:sc= 2.93 (180deg=0.348) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 11.457 16.973 15.616 1.00 0.00 N ATOM 56 CA PRO A 5 10.400 16.104 15.103 1.00 0.00 C ATOM 57 C PRO A 5 9.352 16.883 14.312 1.00 0.00 C ATOM 58 O PRO A 5 8.900 16.414 13.274 1.00 0.00 O ATOM 59 CB PRO A 5 9.794 15.432 16.331 1.00 0.00 C ATOM 60 CG PRO A 5 9.953 16.485 17.419 1.00 0.00 C ATOM 61 CD PRO A 5 11.327 17.057 17.077 1.00 0.00 C ATOM 0 HA PRO A 5 10.797 15.372 14.400 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.747 15.172 16.172 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.317 14.510 16.584 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.170 17.242 17.377 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.924 16.052 18.419 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.414 18.089 17.416 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.117 16.492 17.571 1.00 0.00 H new ATOM 69 N GLU A 6 9.005 18.096 14.758 1.00 0.00 N ATOM 70 CA GLU A 6 8.021 18.956 14.091 1.00 0.00 C ATOM 71 C GLU A 6 8.507 19.379 12.704 1.00 0.00 C ATOM 72 O GLU A 6 7.754 19.398 11.732 1.00 0.00 O ATOM 73 CB GLU A 6 7.696 20.160 14.971 1.00 0.00 C ATOM 74 CG GLU A 6 7.048 19.705 16.280 1.00 0.00 C ATOM 75 CD GLU A 6 6.230 20.789 17.019 1.00 0.00 C ATOM 76 OE1 GLU A 6 5.675 21.718 16.382 1.00 0.00 O ATOM 77 OE2 GLU A 6 6.091 20.677 18.261 1.00 0.00 O ATOM 0 H GLU A 6 9.403 18.512 15.600 1.00 0.00 H new ATOM 0 HA GLU A 6 7.102 18.388 13.944 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.607 20.719 15.184 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.024 20.835 14.441 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.394 18.859 16.069 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.830 19.344 16.948 1.00 0.00 H new ATOM 84 N LYS A 7 9.812 19.639 12.606 1.00 0.00 N ATOM 85 CA LYS A 7 10.519 19.951 11.359 1.00 0.00 C ATOM 86 C LYS A 7 10.546 18.748 10.424 1.00 0.00 C ATOM 87 O LYS A 7 10.333 18.893 9.219 1.00 0.00 O ATOM 88 CB LYS A 7 11.933 20.462 11.683 1.00 0.00 C ATOM 89 CG LYS A 7 11.998 21.442 12.866 1.00 0.00 C ATOM 90 CD LYS A 7 11.072 22.635 12.696 1.00 0.00 C ATOM 91 CE LYS A 7 11.628 23.513 11.578 1.00 0.00 C ATOM 92 NZ LYS A 7 11.032 24.875 11.581 1.00 0.00 N ATOM 0 H LYS A 7 10.428 19.639 13.419 1.00 0.00 H new ATOM 0 HA LYS A 7 9.983 20.740 10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.574 19.608 11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.341 20.951 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.738 20.914 13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.022 21.797 12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.063 22.302 12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.005 23.200 13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.710 23.592 11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.437 23.037 10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.440 25.434 10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.002 24.804 11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.236 25.341 12.488 1.00 0.00 H new ATOM 106 N LYS A 8 10.753 17.553 10.989 1.00 0.00 N ATOM 107 CA LYS A 8 10.810 16.299 10.229 1.00 0.00 C ATOM 108 C LYS A 8 9.444 15.910 9.672 1.00 0.00 C ATOM 109 O LYS A 8 9.377 15.537 8.503 1.00 0.00 O ATOM 110 CB LYS A 8 11.453 15.189 11.082 1.00 0.00 C ATOM 111 CG LYS A 8 11.737 13.861 10.349 1.00 0.00 C ATOM 112 CD LYS A 8 12.995 13.828 9.461 1.00 0.00 C ATOM 113 CE LYS A 8 12.910 14.704 8.204 1.00 0.00 C ATOM 114 NZ LYS A 8 14.070 14.495 7.302 1.00 0.00 N ATOM 0 H LYS A 8 10.886 17.428 11.992 1.00 0.00 H new ATOM 0 HA LYS A 8 11.447 16.448 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.391 15.566 11.488 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.799 14.982 11.929 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.823 13.070 11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.874 13.621 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.852 14.148 10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.184 12.798 9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.988 14.480 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.862 15.753 8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.045 15.198 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.953 14.601 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.026 13.539 6.896 1.00 0.00 H new ATOM 128 N VAL A 9 8.356 16.048 10.440 1.00 0.00 N ATOM 129 CA VAL A 9 7.009 15.762 9.921 1.00 0.00 C ATOM 130 C VAL A 9 6.523 16.787 8.894 1.00 0.00 C ATOM 131 O VAL A 9 5.748 16.444 8.011 1.00 0.00 O ATOM 132 CB VAL A 9 5.944 15.654 11.007 1.00 0.00 C ATOM 133 CG1 VAL A 9 6.168 14.389 11.830 1.00 0.00 C ATOM 134 CG2 VAL A 9 5.763 16.853 11.930 1.00 0.00 C ATOM 0 H VAL A 9 8.379 16.353 11.413 1.00 0.00 H new ATOM 0 HA VAL A 9 7.132 14.792 9.440 1.00 0.00 H new ATOM 0 HB VAL A 9 5.008 15.617 10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.404 14.318 12.604 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.108 13.516 11.180 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.153 14.427 12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.975 16.640 12.653 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.696 17.050 12.458 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.488 17.728 11.341 1.00 0.00 H new ATOM 144 N ALA A 10 6.956 18.039 9.022 1.00 0.00 N ATOM 145 CA ALA A 10 6.613 19.151 8.127 1.00 0.00 C ATOM 146 C ALA A 10 7.301 19.000 6.761 1.00 0.00 C ATOM 147 O ALA A 10 6.657 19.077 5.713 1.00 0.00 O ATOM 148 CB ALA A 10 6.986 20.478 8.798 1.00 0.00 C ATOM 0 H ALA A 10 7.579 18.322 9.779 1.00 0.00 H new ATOM 0 HA ALA A 10 5.539 19.140 7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.732 21.305 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.435 20.580 9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.056 20.493 9.004 1.00 0.00 H new ATOM 154 N GLU A 11 8.599 18.690 6.753 1.00 0.00 N ATOM 155 CA GLU A 11 9.256 18.163 5.554 1.00 0.00 C ATOM 156 C GLU A 11 8.525 16.920 5.025 1.00 0.00 C ATOM 157 O GLU A 11 8.124 16.892 3.864 1.00 0.00 O ATOM 158 CB GLU A 11 10.751 17.936 5.837 1.00 0.00 C ATOM 159 CG GLU A 11 11.373 16.881 4.918 1.00 0.00 C ATOM 160 CD GLU A 11 12.873 17.115 4.702 1.00 0.00 C ATOM 161 OE1 GLU A 11 13.212 17.905 3.787 1.00 0.00 O ATOM 162 OE2 GLU A 11 13.699 16.495 5.413 1.00 0.00 O ATOM 0 H GLU A 11 9.214 18.794 7.560 1.00 0.00 H new ATOM 0 HA GLU A 11 9.198 18.895 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.286 18.878 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.877 17.628 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.219 15.891 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.862 16.893 3.955 1.00 0.00 H new ATOM 169 N ALA A 12 8.266 15.913 5.856 1.00 0.00 N ATOM 170 CA ALA A 12 7.542 14.728 5.409 1.00 0.00 C ATOM 171 C ALA A 12 6.058 14.963 5.046 1.00 0.00 C ATOM 172 O ALA A 12 5.401 14.055 4.544 1.00 0.00 O ATOM 173 CB ALA A 12 7.723 13.622 6.440 1.00 0.00 C ATOM 0 H ALA A 12 8.545 15.894 6.837 1.00 0.00 H new ATOM 0 HA ALA A 12 7.980 14.426 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.186 12.731 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.783 13.389 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.330 13.953 7.401 1.00 0.00 H new ATOM 179 N GLU A 13 5.524 16.174 5.218 1.00 0.00 N ATOM 180 CA GLU A 13 4.163 16.529 4.792 1.00 0.00 C ATOM 181 C GLU A 13 4.186 16.858 3.298 1.00 0.00 C ATOM 182 O GLU A 13 3.302 16.457 2.545 1.00 0.00 O ATOM 183 CB GLU A 13 3.602 17.687 5.638 1.00 0.00 C ATOM 184 CG GLU A 13 2.309 18.264 5.057 1.00 0.00 C ATOM 185 CD GLU A 13 1.698 19.320 5.998 1.00 0.00 C ATOM 186 OE1 GLU A 13 0.881 18.955 6.878 1.00 0.00 O ATOM 187 OE2 GLU A 13 2.021 20.526 5.858 1.00 0.00 O ATOM 0 H GLU A 13 6.026 16.944 5.660 1.00 0.00 H new ATOM 0 HA GLU A 13 3.492 15.685 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.415 17.334 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.350 18.477 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.513 18.713 4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.591 17.461 4.892 1.00 0.00 H new ATOM 194 N LYS A 14 5.265 17.507 2.857 1.00 0.00 N ATOM 195 CA LYS A 14 5.592 17.772 1.450 1.00 0.00 C ATOM 196 C LYS A 14 5.613 16.461 0.660 1.00 0.00 C ATOM 197 O LYS A 14 5.007 16.334 -0.404 1.00 0.00 O ATOM 198 CB LYS A 14 6.909 18.583 1.420 1.00 0.00 C ATOM 199 CG LYS A 14 8.198 17.873 0.963 1.00 0.00 C ATOM 200 CD LYS A 14 9.445 18.640 1.421 1.00 0.00 C ATOM 201 CE LYS A 14 10.695 17.885 0.954 1.00 0.00 C ATOM 202 NZ LYS A 14 11.960 18.567 1.339 1.00 0.00 N ATOM 0 H LYS A 14 5.967 17.879 3.496 1.00 0.00 H new ATOM 0 HA LYS A 14 4.834 18.377 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.755 19.442 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.082 18.972 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.222 16.861 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.201 17.783 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.439 19.649 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.449 18.739 2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.686 16.881 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.663 17.774 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.686 18.386 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.794 19.591 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.286 18.201 2.256 1.00 0.00 H new ATOM 216 N LYS A 15 6.242 15.451 1.264 1.00 0.00 N ATOM 217 CA LYS A 15 6.296 14.067 0.792 1.00 0.00 C ATOM 218 C LYS A 15 4.935 13.365 0.831 1.00 0.00 C ATOM 219 O LYS A 15 4.582 12.687 -0.130 1.00 0.00 O ATOM 220 CB LYS A 15 7.354 13.343 1.635 1.00 0.00 C ATOM 221 CG LYS A 15 7.404 11.832 1.424 1.00 0.00 C ATOM 222 CD LYS A 15 7.818 11.415 -0.001 1.00 0.00 C ATOM 223 CE LYS A 15 7.037 10.190 -0.491 1.00 0.00 C ATOM 224 NZ LYS A 15 7.418 8.949 0.236 1.00 0.00 N ATOM 0 H LYS A 15 6.752 15.583 2.138 1.00 0.00 H new ATOM 0 HA LYS A 15 6.573 14.049 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.333 13.762 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.161 13.544 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.105 11.398 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.423 11.411 1.645 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.653 12.248 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.885 11.195 -0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.969 10.369 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.214 10.052 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.864 8.148 -0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.431 8.762 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.225 9.068 1.251 1.00 0.00 H new ATOM 238 N VAL A 16 4.169 13.521 1.912 1.00 0.00 N ATOM 239 CA VAL A 16 2.802 12.964 2.032 1.00 0.00 C ATOM 240 C VAL A 16 1.872 13.544 0.951 1.00 0.00 C ATOM 241 O VAL A 16 1.031 12.826 0.415 1.00 0.00 O ATOM 242 CB VAL A 16 2.238 13.156 3.456 1.00 0.00 C ATOM 243 CG1 VAL A 16 0.710 13.056 3.568 1.00 0.00 C ATOM 244 CG2 VAL A 16 2.815 12.082 4.392 1.00 0.00 C ATOM 0 H VAL A 16 4.472 14.038 2.737 1.00 0.00 H new ATOM 0 HA VAL A 16 2.859 11.889 1.861 1.00 0.00 H new ATOM 0 HB VAL A 16 2.528 14.170 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.411 13.205 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.249 13.821 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.384 12.071 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.414 12.221 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.539 11.093 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.901 12.169 4.420 1.00 0.00 H new ATOM 254 N GLU A 17 2.036 14.816 0.579 1.00 0.00 N ATOM 255 CA GLU A 17 1.259 15.469 -0.480 1.00 0.00 C ATOM 256 C GLU A 17 1.646 14.945 -1.873 1.00 0.00 C ATOM 257 O GLU A 17 0.768 14.695 -2.694 1.00 0.00 O ATOM 258 CB GLU A 17 1.419 16.996 -0.403 1.00 0.00 C ATOM 259 CG GLU A 17 0.649 17.652 0.756 1.00 0.00 C ATOM 260 CD GLU A 17 -0.879 17.470 0.656 1.00 0.00 C ATOM 261 OE1 GLU A 17 -1.494 17.878 -0.358 1.00 0.00 O ATOM 262 OE2 GLU A 17 -1.498 16.919 1.596 1.00 0.00 O ATOM 0 H GLU A 17 2.724 15.432 1.012 1.00 0.00 H new ATOM 0 HA GLU A 17 0.209 15.223 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.478 17.235 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.081 17.433 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.997 17.230 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.880 18.717 0.779 1.00 0.00 H new ATOM 269 N GLU A 18 2.934 14.712 -2.139 1.00 0.00 N ATOM 270 CA GLU A 18 3.404 14.016 -3.349 1.00 0.00 C ATOM 271 C GLU A 18 2.880 12.566 -3.438 1.00 0.00 C ATOM 272 O GLU A 18 2.409 12.133 -4.492 1.00 0.00 O ATOM 273 CB GLU A 18 4.942 14.037 -3.388 1.00 0.00 C ATOM 274 CG GLU A 18 5.533 15.406 -3.757 1.00 0.00 C ATOM 275 CD GLU A 18 5.289 15.766 -5.235 1.00 0.00 C ATOM 276 OE1 GLU A 18 6.045 15.286 -6.115 1.00 0.00 O ATOM 277 OE2 GLU A 18 4.345 16.538 -5.527 1.00 0.00 O ATOM 0 H GLU A 18 3.689 15.002 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 18 3.005 14.546 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.325 13.737 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.288 13.296 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.093 16.173 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.605 15.403 -3.558 1.00 0.00 H new ATOM 284 N ALA A 19 2.910 11.821 -2.327 1.00 0.00 N ATOM 285 CA ALA A 19 2.324 10.484 -2.202 1.00 0.00 C ATOM 286 C ALA A 19 0.810 10.466 -2.524 1.00 0.00 C ATOM 287 O ALA A 19 0.350 9.686 -3.362 1.00 0.00 O ATOM 288 CB ALA A 19 2.640 9.983 -0.791 1.00 0.00 C ATOM 0 H ALA A 19 3.355 12.142 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 19 2.760 9.811 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.220 8.986 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.720 9.943 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.205 10.662 -0.058 1.00 0.00 H new ATOM 294 N LYS A 20 0.043 11.376 -1.908 1.00 0.00 N ATOM 295 CA LYS A 20 -1.377 11.657 -2.182 1.00 0.00 C ATOM 296 C LYS A 20 -1.630 12.018 -3.652 1.00 0.00 C ATOM 297 O LYS A 20 -2.541 11.465 -4.267 1.00 0.00 O ATOM 298 CB LYS A 20 -1.795 12.771 -1.208 1.00 0.00 C ATOM 299 CG LYS A 20 -3.115 13.496 -1.508 1.00 0.00 C ATOM 300 CD LYS A 20 -3.271 14.654 -0.511 1.00 0.00 C ATOM 301 CE LYS A 20 -4.262 15.699 -1.025 1.00 0.00 C ATOM 302 NZ LYS A 20 -4.161 16.952 -0.235 1.00 0.00 N ATOM 0 H LYS A 20 0.414 11.969 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.987 10.768 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.864 12.340 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.998 13.514 -1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.116 13.873 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.954 12.806 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.613 14.267 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.302 15.122 -0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.064 15.909 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.277 15.306 -0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.898 17.617 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.289 16.737 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.225 17.380 -0.382 1.00 0.00 H new ATOM 316 N LYS A 21 -0.818 12.908 -4.235 1.00 0.00 N ATOM 317 CA LYS A 21 -0.884 13.315 -5.651 1.00 0.00 C ATOM 318 C LYS A 21 -0.772 12.115 -6.596 1.00 0.00 C ATOM 319 O LYS A 21 -1.588 11.986 -7.507 1.00 0.00 O ATOM 320 CB LYS A 21 0.187 14.386 -5.919 1.00 0.00 C ATOM 321 CG LYS A 21 0.121 14.991 -7.332 1.00 0.00 C ATOM 322 CD LYS A 21 1.270 15.981 -7.579 1.00 0.00 C ATOM 323 CE LYS A 21 1.159 17.243 -6.711 1.00 0.00 C ATOM 324 NZ LYS A 21 2.398 18.057 -6.786 1.00 0.00 N ATOM 0 H LYS A 21 -0.074 13.381 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.862 13.751 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.079 15.186 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.173 13.946 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.163 14.192 -8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.833 15.500 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.220 15.487 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.278 16.267 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.308 17.840 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.969 16.960 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.247 18.965 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.178 17.545 -6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.639 18.232 -7.783 1.00 0.00 H new ATOM 338 N LYS A 22 0.175 11.194 -6.372 1.00 0.00 N ATOM 339 CA LYS A 22 0.257 9.949 -7.138 1.00 0.00 C ATOM 340 C LYS A 22 -0.926 9.000 -6.929 1.00 0.00 C ATOM 341 O LYS A 22 -1.388 8.395 -7.894 1.00 0.00 O ATOM 342 CB LYS A 22 1.599 9.265 -6.857 1.00 0.00 C ATOM 343 CG LYS A 22 1.925 8.196 -7.905 1.00 0.00 C ATOM 344 CD LYS A 22 1.911 8.762 -9.333 1.00 0.00 C ATOM 345 CE LYS A 22 2.609 7.799 -10.274 1.00 0.00 C ATOM 346 NZ LYS A 22 2.572 8.290 -11.677 1.00 0.00 N ATOM 0 H LYS A 22 0.899 11.292 -5.660 1.00 0.00 H new ATOM 0 HA LYS A 22 0.198 10.219 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.392 10.013 -6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.574 8.808 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.906 7.770 -7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.202 7.384 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.884 8.924 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.409 9.731 -9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.644 7.667 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.131 6.821 -10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.997 7.578 -12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.585 8.457 -11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.108 9.179 -11.748 1.00 0.00 H new ATOM 360 N ALA A 23 -1.474 8.897 -5.720 1.00 0.00 N ATOM 361 CA ALA A 23 -2.716 8.148 -5.529 1.00 0.00 C ATOM 362 C ALA A 23 -3.905 8.764 -6.294 1.00 0.00 C ATOM 363 O ALA A 23 -4.718 8.039 -6.869 1.00 0.00 O ATOM 364 CB ALA A 23 -2.994 7.969 -4.032 1.00 0.00 C ATOM 0 H ALA A 23 -1.088 9.313 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.587 7.157 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.920 7.410 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.171 7.422 -3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.089 8.947 -3.560 1.00 0.00 H new ATOM 370 N GLU A 24 -3.975 10.094 -6.402 1.00 0.00 N ATOM 371 CA GLU A 24 -4.912 10.772 -7.306 1.00 0.00 C ATOM 372 C GLU A 24 -4.665 10.453 -8.800 1.00 0.00 C ATOM 373 O GLU A 24 -5.613 10.433 -9.584 1.00 0.00 O ATOM 374 CB GLU A 24 -4.959 12.280 -6.998 1.00 0.00 C ATOM 375 CG GLU A 24 -5.954 13.030 -7.894 1.00 0.00 C ATOM 376 CD GLU A 24 -6.446 14.338 -7.251 1.00 0.00 C ATOM 377 OE1 GLU A 24 -5.679 15.329 -7.189 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.626 14.372 -6.820 1.00 0.00 O ATOM 0 H GLU A 24 -3.385 10.731 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.906 10.369 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.234 12.426 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.964 12.706 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.482 13.253 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.808 12.386 -8.103 1.00 0.00 H new ATOM 385 N ASP A 25 -3.443 10.098 -9.211 1.00 0.00 N ATOM 386 CA ASP A 25 -3.155 9.601 -10.569 1.00 0.00 C ATOM 387 C ASP A 25 -3.818 8.241 -10.863 1.00 0.00 C ATOM 388 O ASP A 25 -4.075 7.877 -12.011 1.00 0.00 O ATOM 389 CB ASP A 25 -1.632 9.453 -10.714 1.00 0.00 C ATOM 390 CG ASP A 25 -1.076 9.682 -12.129 1.00 0.00 C ATOM 391 OD1 ASP A 25 -1.631 10.501 -12.900 1.00 0.00 O ATOM 392 OD2 ASP A 25 -0.028 9.067 -12.449 1.00 0.00 O ATOM 0 H ASP A 25 -2.619 10.146 -8.611 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.564 10.319 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.150 10.156 -10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.349 8.452 -10.389 1.00 0.00 H new ATOM 397 N GLN A 26 -4.083 7.474 -9.806 1.00 0.00 N ATOM 398 CA GLN A 26 -4.704 6.146 -9.856 1.00 0.00 C ATOM 399 C GLN A 26 -6.229 6.234 -9.634 1.00 0.00 C ATOM 400 O GLN A 26 -6.993 5.451 -10.196 1.00 0.00 O ATOM 401 CB GLN A 26 -3.992 5.257 -8.830 1.00 0.00 C ATOM 402 CG GLN A 26 -2.489 5.089 -9.148 1.00 0.00 C ATOM 403 CD GLN A 26 -1.705 4.538 -7.963 1.00 0.00 C ATOM 404 OE1 GLN A 26 -1.879 4.956 -6.831 1.00 0.00 O ATOM 405 NE2 GLN A 26 -0.799 3.607 -8.155 1.00 0.00 N ATOM 0 H GLN A 26 -3.864 7.769 -8.855 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.587 5.700 -10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.105 5.690 -7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.469 4.277 -8.808 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.373 4.420 -10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.072 6.053 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.635 3.241 -9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.260 3.250 -7.366 1.00 0.00 H new ATOM 414 N LYS A 27 -6.687 7.256 -8.900 1.00 0.00 N ATOM 415 CA LYS A 27 -8.077 7.754 -8.884 1.00 0.00 C ATOM 416 C LYS A 27 -8.528 8.220 -10.268 1.00 0.00 C ATOM 417 O LYS A 27 -9.649 7.959 -10.701 1.00 0.00 O ATOM 418 CB LYS A 27 -8.136 8.897 -7.861 1.00 0.00 C ATOM 419 CG LYS A 27 -9.548 9.249 -7.360 1.00 0.00 C ATOM 420 CD LYS A 27 -10.299 10.313 -8.184 1.00 0.00 C ATOM 421 CE LYS A 27 -9.592 11.678 -8.237 1.00 0.00 C ATOM 422 NZ LYS A 27 -9.560 12.359 -6.914 1.00 0.00 N ATOM 0 H LYS A 27 -6.078 7.783 -8.274 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.761 6.953 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.519 8.629 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.693 9.787 -8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.146 8.338 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.472 9.599 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.430 9.944 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.295 10.448 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.572 11.541 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.100 12.318 -8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.868 13.135 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.502 12.742 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.287 11.676 -6.179 1.00 0.00 H new ATOM 436 N GLU A 28 -7.633 8.891 -10.981 1.00 0.00 N ATOM 437 CA GLU A 28 -7.811 9.170 -12.407 1.00 0.00 C ATOM 438 C GLU A 28 -7.990 7.880 -13.224 1.00 0.00 C ATOM 439 O GLU A 28 -8.875 7.837 -14.075 1.00 0.00 O ATOM 440 CB GLU A 28 -6.662 10.056 -12.923 1.00 0.00 C ATOM 441 CG GLU A 28 -6.775 10.508 -14.391 1.00 0.00 C ATOM 442 CD GLU A 28 -7.843 11.589 -14.654 1.00 0.00 C ATOM 443 OE1 GLU A 28 -8.626 11.936 -13.737 1.00 0.00 O ATOM 444 OE2 GLU A 28 -7.896 12.116 -15.792 1.00 0.00 O ATOM 0 H GLU A 28 -6.764 9.258 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.737 9.730 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.600 10.943 -12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.725 9.512 -12.800 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.806 10.888 -14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.999 9.638 -15.008 1.00 0.00 H new ATOM 451 N GLU A 29 -7.234 6.809 -12.942 1.00 0.00 N ATOM 452 CA GLU A 29 -7.427 5.510 -13.606 1.00 0.00 C ATOM 453 C GLU A 29 -8.849 4.944 -13.416 1.00 0.00 C ATOM 454 O GLU A 29 -9.524 4.747 -14.416 1.00 0.00 O ATOM 455 CB GLU A 29 -6.324 4.501 -13.240 1.00 0.00 C ATOM 456 CG GLU A 29 -6.226 3.401 -14.307 1.00 0.00 C ATOM 457 CD GLU A 29 -5.025 2.470 -14.054 1.00 0.00 C ATOM 458 OE1 GLU A 29 -3.890 2.824 -14.458 1.00 0.00 O ATOM 459 OE2 GLU A 29 -5.213 1.371 -13.482 1.00 0.00 O ATOM 0 H GLU A 29 -6.480 6.817 -12.255 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.329 5.694 -14.676 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.367 5.016 -13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.538 4.056 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.146 2.816 -14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.132 3.857 -15.293 1.00 0.00 H new ATOM 466 N ASP A 30 -9.375 4.763 -12.198 1.00 0.00 N ATOM 467 CA ASP A 30 -10.762 4.470 -11.865 1.00 0.00 C ATOM 468 C ASP A 30 -11.792 5.133 -12.791 1.00 0.00 C ATOM 469 O ASP A 30 -12.550 4.418 -13.445 1.00 0.00 O ATOM 470 CB ASP A 30 -10.929 4.787 -10.362 1.00 0.00 C ATOM 471 CG ASP A 30 -12.377 4.834 -9.848 1.00 0.00 C ATOM 472 OD1 ASP A 30 -13.077 5.836 -10.123 1.00 0.00 O ATOM 473 OD2 ASP A 30 -12.792 3.922 -9.096 1.00 0.00 O ATOM 0 H ASP A 30 -8.793 4.823 -11.362 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.980 3.417 -12.042 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.383 4.038 -9.789 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.459 5.749 -10.158 1.00 0.00 H new ATOM 478 N ARG A 31 -11.766 6.457 -12.983 1.00 0.00 N ATOM 479 CA ARG A 31 -12.790 7.187 -13.748 1.00 0.00 C ATOM 480 C ARG A 31 -12.469 7.230 -15.236 1.00 0.00 C ATOM 481 O ARG A 31 -13.316 7.631 -16.035 1.00 0.00 O ATOM 482 CB ARG A 31 -13.046 8.558 -13.108 1.00 0.00 C ATOM 483 CG ARG A 31 -11.852 9.516 -13.187 1.00 0.00 C ATOM 484 CD ARG A 31 -11.959 10.558 -12.071 1.00 0.00 C ATOM 485 NE ARG A 31 -10.942 11.611 -12.219 1.00 0.00 N ATOM 486 CZ ARG A 31 -10.904 12.791 -11.636 1.00 0.00 C ATOM 487 NH1 ARG A 31 -11.799 13.192 -10.776 1.00 0.00 N ATOM 488 NH2 ARG A 31 -9.922 13.585 -11.929 1.00 0.00 N ATOM 0 H ARG A 31 -11.031 7.058 -12.611 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.734 6.644 -13.697 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.903 9.021 -13.597 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.315 8.414 -12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.919 8.960 -13.092 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.831 10.009 -14.159 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.953 11.006 -12.084 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.841 10.070 -11.103 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.170 11.401 -12.852 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.576 12.580 -10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.722 14.117 -10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.208 13.289 -12.594 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.864 14.506 -11.494 1.00 0.00 H new ATOM 502 N ARG A 32 -11.288 6.723 -15.611 1.00 0.00 N ATOM 503 CA ARG A 32 -10.936 6.346 -16.974 1.00 0.00 C ATOM 504 C ARG A 32 -11.308 4.929 -17.338 1.00 0.00 C ATOM 505 O ARG A 32 -11.463 4.594 -18.506 1.00 0.00 O ATOM 506 CB ARG A 32 -9.492 6.763 -17.263 1.00 0.00 C ATOM 507 CG ARG A 32 -8.698 5.899 -18.248 1.00 0.00 C ATOM 508 CD ARG A 32 -8.353 4.565 -17.582 1.00 0.00 C ATOM 509 NE ARG A 32 -7.068 4.013 -18.050 1.00 0.00 N ATOM 510 CZ ARG A 32 -6.884 3.190 -19.069 1.00 0.00 C ATOM 511 NH1 ARG A 32 -7.869 2.768 -19.813 1.00 0.00 N ATOM 512 NH2 ARG A 32 -5.688 2.768 -19.365 1.00 0.00 N ATOM 0 H ARG A 32 -10.530 6.561 -14.948 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.562 6.906 -17.669 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.505 7.784 -17.644 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.950 6.782 -16.317 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.282 5.727 -19.152 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.787 6.415 -18.550 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.313 4.702 -16.501 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.148 3.847 -17.783 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.234 4.295 -17.534 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.823 3.073 -19.618 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.686 2.133 -20.590 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.888 3.072 -18.810 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.551 2.133 -20.152 1.00 0.00 H new ATOM 526 N ASN A 33 -11.413 4.104 -16.319 1.00 0.00 N ATOM 527 CA ASN A 33 -11.513 2.661 -16.428 1.00 0.00 C ATOM 528 C ASN A 33 -12.912 2.146 -16.027 1.00 0.00 C ATOM 529 O ASN A 33 -13.178 0.961 -16.064 1.00 0.00 O ATOM 530 CB ASN A 33 -10.307 2.102 -15.670 1.00 0.00 C ATOM 531 CG ASN A 33 -10.104 0.622 -15.821 1.00 0.00 C ATOM 532 OD1 ASN A 33 -10.567 -0.051 -16.724 1.00 0.00 O ATOM 533 ND2 ASN A 33 -9.413 0.056 -14.877 1.00 0.00 N ATOM 0 H ASN A 33 -11.432 4.431 -15.353 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.452 2.296 -17.453 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.409 2.615 -16.014 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.421 2.333 -14.611 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.258 -0.952 -14.892 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.025 0.620 -14.121 1.00 0.00 H new ATOM 540 N TYR A 34 -13.812 3.054 -15.662 1.00 0.00 N ATOM 541 CA TYR A 34 -15.300 3.045 -15.663 1.00 0.00 C ATOM 542 C TYR A 34 -15.967 2.977 -17.041 1.00 0.00 C ATOM 543 O TYR A 34 -16.836 2.135 -17.258 1.00 0.00 O ATOM 544 CB TYR A 34 -15.860 4.274 -14.931 1.00 0.00 C ATOM 545 CG TYR A 34 -16.316 3.941 -13.568 1.00 0.00 C ATOM 546 CD1 TYR A 34 -17.402 3.084 -13.350 1.00 0.00 C ATOM 547 CD2 TYR A 34 -15.544 4.413 -12.518 1.00 0.00 C ATOM 548 CE1 TYR A 34 -17.704 2.702 -12.037 1.00 0.00 C ATOM 549 CE2 TYR A 34 -15.810 3.998 -11.233 1.00 0.00 C ATOM 550 CZ TYR A 34 -16.923 3.174 -10.953 1.00 0.00 C ATOM 551 OH TYR A 34 -17.228 2.834 -9.670 1.00 0.00 O ATOM 0 H TYR A 34 -13.480 3.950 -15.304 1.00 0.00 H new ATOM 0 HA TYR A 34 -15.544 2.116 -15.148 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.093 5.046 -14.879 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.691 4.689 -15.501 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.995 2.725 -14.178 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.736 5.104 -12.708 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.538 2.043 -11.849 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -15.159 4.306 -10.428 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.722 2.035 -9.414 1.00 0.00 H new ATOM 561 N PRO A 35 -15.532 3.819 -17.985 1.00 0.00 N ATOM 562 CA PRO A 35 -15.601 3.614 -19.431 1.00 0.00 C ATOM 563 C PRO A 35 -15.542 2.149 -19.868 1.00 0.00 C ATOM 564 O PRO A 35 -16.303 1.688 -20.721 1.00 0.00 O ATOM 565 CB PRO A 35 -14.370 4.389 -19.880 1.00 0.00 C ATOM 566 CG PRO A 35 -14.508 5.667 -19.049 1.00 0.00 C ATOM 567 CD PRO A 35 -14.886 5.082 -17.689 1.00 0.00 C ATOM 0 HA PRO A 35 -16.547 3.940 -19.863 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.445 3.855 -19.664 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.378 4.591 -20.951 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.580 6.238 -19.010 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -15.276 6.334 -19.440 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.005 4.937 -17.064 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -15.555 5.749 -17.146 1.00 0.00 H new ATOM 575 N THR A 36 -14.622 1.433 -19.233 1.00 0.00 N ATOM 576 CA THR A 36 -14.290 0.015 -19.447 1.00 0.00 C ATOM 577 C THR A 36 -14.820 -0.922 -18.342 1.00 0.00 C ATOM 578 O THR A 36 -14.897 -2.138 -18.521 1.00 0.00 O ATOM 579 CB THR A 36 -12.759 -0.092 -19.606 1.00 0.00 C ATOM 580 OG1 THR A 36 -12.092 1.107 -19.262 1.00 0.00 O ATOM 581 CG2 THR A 36 -12.397 -0.247 -21.073 1.00 0.00 C ATOM 0 H THR A 36 -14.044 1.849 -18.503 1.00 0.00 H new ATOM 0 HA THR A 36 -14.794 -0.327 -20.351 1.00 0.00 H new ATOM 0 HB THR A 36 -12.469 -0.928 -18.970 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.126 0.989 -19.377 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.314 -0.322 -21.175 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.862 -1.150 -21.469 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.755 0.619 -21.630 1.00 0.00 H new ATOM 589 N ASN A 37 -15.187 -0.347 -17.196 1.00 0.00 N ATOM 590 CA ASN A 37 -15.568 -0.914 -15.911 1.00 0.00 C ATOM 591 C ASN A 37 -14.714 -2.067 -15.396 1.00 0.00 C ATOM 592 O ASN A 37 -15.189 -3.066 -14.855 1.00 0.00 O ATOM 593 CB ASN A 37 -17.077 -0.916 -15.692 1.00 0.00 C ATOM 594 CG ASN A 37 -17.853 -1.989 -16.445 1.00 0.00 C ATOM 595 OD1 ASN A 37 -18.630 -1.708 -17.348 1.00 0.00 O ATOM 596 ND2 ASN A 37 -17.697 -3.246 -16.100 1.00 0.00 N ATOM 0 H ASN A 37 -15.228 0.671 -17.148 1.00 0.00 H new ATOM 0 HA ASN A 37 -15.247 -0.210 -15.143 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.271 -1.035 -14.626 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.469 0.059 -15.981 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.220 -3.976 -16.583 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.052 -3.492 -15.349 1.00 0.00 H new ATOM 603 N THR A 38 -13.411 -1.789 -15.429 1.00 0.00 N ATOM 604 CA THR A 38 -12.396 -2.406 -14.577 1.00 0.00 C ATOM 605 C THR A 38 -11.805 -1.409 -13.560 1.00 0.00 C ATOM 606 O THR A 38 -10.986 -1.797 -12.732 1.00 0.00 O ATOM 607 CB THR A 38 -11.351 -3.100 -15.460 1.00 0.00 C ATOM 608 OG1 THR A 38 -12.020 -3.765 -16.505 1.00 0.00 O ATOM 609 CG2 THR A 38 -10.509 -4.134 -14.737 1.00 0.00 C ATOM 0 H THR A 38 -13.019 -1.103 -16.074 1.00 0.00 H new ATOM 0 HA THR A 38 -12.857 -3.174 -13.956 1.00 0.00 H new ATOM 0 HB THR A 38 -10.679 -2.315 -15.807 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.365 -4.213 -17.080 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.797 -4.575 -15.434 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.968 -3.656 -13.920 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.156 -4.915 -14.337 1.00 0.00 H new ATOM 617 N TYR A 39 -12.251 -0.139 -13.594 1.00 0.00 N ATOM 618 CA TYR A 39 -12.172 0.958 -12.608 1.00 0.00 C ATOM 619 C TYR A 39 -11.697 0.702 -11.166 1.00 0.00 C ATOM 620 O TYR A 39 -11.104 1.587 -10.552 1.00 0.00 O ATOM 621 CB TYR A 39 -13.582 1.530 -12.457 1.00 0.00 C ATOM 622 CG TYR A 39 -14.520 0.699 -11.609 1.00 0.00 C ATOM 623 CD1 TYR A 39 -15.129 -0.441 -12.154 1.00 0.00 C ATOM 624 CD2 TYR A 39 -14.682 0.999 -10.247 1.00 0.00 C ATOM 625 CE1 TYR A 39 -15.917 -1.280 -11.356 1.00 0.00 C ATOM 626 CE2 TYR A 39 -15.485 0.172 -9.439 1.00 0.00 C ATOM 627 CZ TYR A 39 -16.113 -0.969 -9.992 1.00 0.00 C ATOM 628 OH TYR A 39 -16.873 -1.788 -9.214 1.00 0.00 O ATOM 0 H TYR A 39 -12.742 0.185 -14.427 1.00 0.00 H new ATOM 0 HA TYR A 39 -11.391 1.584 -13.039 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -13.509 2.527 -12.022 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -14.019 1.646 -13.449 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.989 -0.674 -13.199 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.192 1.862 -9.820 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -16.373 -2.161 -11.782 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.622 0.409 -8.394 1.00 0.00 H new ATOM 0 HH TYR A 39 -16.907 -1.433 -8.301 1.00 0.00 H new ATOM 638 N LYS A 40 -11.999 -0.459 -10.582 1.00 0.00 N ATOM 639 CA LYS A 40 -11.652 -0.851 -9.233 1.00 0.00 C ATOM 640 C LYS A 40 -10.202 -1.277 -9.305 1.00 0.00 C ATOM 641 O LYS A 40 -9.854 -2.443 -9.486 1.00 0.00 O ATOM 642 CB LYS A 40 -12.637 -1.945 -8.776 1.00 0.00 C ATOM 643 CG LYS A 40 -12.277 -2.598 -7.440 1.00 0.00 C ATOM 644 CD LYS A 40 -12.255 -1.637 -6.247 1.00 0.00 C ATOM 645 CE LYS A 40 -11.394 -2.233 -5.133 1.00 0.00 C ATOM 646 NZ LYS A 40 -11.291 -1.319 -3.968 1.00 0.00 N ATOM 0 H LYS A 40 -12.521 -1.185 -11.073 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.739 -0.063 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.634 -1.511 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.685 -2.718 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.992 -3.395 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.297 -3.066 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.856 -0.670 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.269 -1.464 -5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.821 -3.184 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.397 -2.445 -5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.340 -1.390 -3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.461 -0.341 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.000 -1.584 -3.255 1.00 0.00 H new ATOM 660 N THR A 41 -9.375 -0.254 -9.348 1.00 0.00 N ATOM 661 CA THR A 41 -7.977 -0.305 -9.718 1.00 0.00 C ATOM 662 C THR A 41 -7.210 -0.561 -8.434 1.00 0.00 C ATOM 663 O THR A 41 -6.974 0.329 -7.624 1.00 0.00 O ATOM 664 CB THR A 41 -7.583 0.977 -10.472 1.00 0.00 C ATOM 665 OG1 THR A 41 -8.071 2.143 -9.850 1.00 0.00 O ATOM 666 CG2 THR A 41 -8.188 0.981 -11.881 1.00 0.00 C ATOM 0 H THR A 41 -9.679 0.691 -9.112 1.00 0.00 H new ATOM 0 HA THR A 41 -7.743 -1.106 -10.419 1.00 0.00 H new ATOM 0 HB THR A 41 -6.493 0.980 -10.486 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.793 2.929 -10.365 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.898 1.895 -12.399 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.822 0.118 -12.437 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.275 0.933 -11.811 1.00 0.00 H new ATOM 674 N LEU A 42 -6.900 -1.836 -8.202 1.00 0.00 N ATOM 675 CA LEU A 42 -6.215 -2.275 -6.962 1.00 0.00 C ATOM 676 C LEU A 42 -4.866 -1.565 -6.811 1.00 0.00 C ATOM 677 O LEU A 42 -4.460 -1.237 -5.711 1.00 0.00 O ATOM 678 CB LEU A 42 -6.009 -3.799 -6.821 1.00 0.00 C ATOM 679 CG LEU A 42 -7.145 -4.755 -7.150 1.00 0.00 C ATOM 680 CD1 LEU A 42 -8.411 -4.372 -6.423 1.00 0.00 C ATOM 681 CD2 LEU A 42 -7.363 -4.921 -8.640 1.00 0.00 C ATOM 0 H LEU A 42 -7.108 -2.594 -8.852 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.899 -1.993 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.163 -4.071 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.712 -3.992 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.845 -5.738 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.204 -5.074 -6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.235 -4.399 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.709 -3.365 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.186 -5.615 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.604 -3.954 -9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.456 -5.314 -9.099 1.00 0.00 H new ATOM 693 N GLU A 43 -4.238 -1.253 -7.940 1.00 0.00 N ATOM 694 CA GLU A 43 -3.286 -0.164 -8.181 1.00 0.00 C ATOM 695 C GLU A 43 -3.414 1.057 -7.235 1.00 0.00 C ATOM 696 O GLU A 43 -2.455 1.405 -6.545 1.00 0.00 O ATOM 697 CB GLU A 43 -3.552 0.193 -9.650 1.00 0.00 C ATOM 698 CG GLU A 43 -2.759 1.341 -10.254 1.00 0.00 C ATOM 699 CD GLU A 43 -1.246 1.075 -10.365 1.00 0.00 C ATOM 700 OE1 GLU A 43 -0.818 -0.105 -10.368 1.00 0.00 O ATOM 701 OE2 GLU A 43 -0.477 2.061 -10.458 1.00 0.00 O ATOM 0 H GLU A 43 -4.393 -1.801 -8.786 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.263 -0.478 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.364 -0.697 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.612 0.428 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.152 1.556 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.916 2.234 -9.649 1.00 0.00 H new ATOM 708 N LEU A 44 -4.593 1.687 -7.178 1.00 0.00 N ATOM 709 CA LEU A 44 -4.951 2.778 -6.265 1.00 0.00 C ATOM 710 C LEU A 44 -4.877 2.316 -4.795 1.00 0.00 C ATOM 711 O LEU A 44 -4.239 2.957 -3.963 1.00 0.00 O ATOM 712 CB LEU A 44 -6.374 3.243 -6.665 1.00 0.00 C ATOM 713 CG LEU A 44 -6.786 4.681 -6.329 1.00 0.00 C ATOM 714 CD1 LEU A 44 -8.256 4.882 -6.700 1.00 0.00 C ATOM 715 CD2 LEU A 44 -6.615 5.072 -4.869 1.00 0.00 C ATOM 0 H LEU A 44 -5.362 1.437 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.250 3.609 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.478 3.110 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.090 2.572 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.114 5.317 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.555 5.903 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.390 4.703 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.873 4.183 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.932 6.105 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.223 4.418 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.567 4.973 -4.586 1.00 0.00 H new ATOM 727 N GLU A 45 -5.508 1.184 -4.469 1.00 0.00 N ATOM 728 CA GLU A 45 -5.561 0.625 -3.108 1.00 0.00 C ATOM 729 C GLU A 45 -4.184 0.215 -2.543 1.00 0.00 C ATOM 730 O GLU A 45 -3.926 0.431 -1.357 1.00 0.00 O ATOM 731 CB GLU A 45 -6.570 -0.530 -3.056 1.00 0.00 C ATOM 732 CG GLU A 45 -7.023 -0.829 -1.621 1.00 0.00 C ATOM 733 CD GLU A 45 -8.178 -1.849 -1.537 1.00 0.00 C ATOM 734 OE1 GLU A 45 -9.090 -1.828 -2.400 1.00 0.00 O ATOM 735 OE2 GLU A 45 -8.215 -2.648 -0.571 1.00 0.00 O ATOM 0 H GLU A 45 -6.007 0.617 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.900 1.425 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.438 -0.282 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.121 -1.424 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.174 -1.207 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.336 0.101 -1.146 1.00 0.00 H new ATOM 742 N ILE A 46 -3.280 -0.320 -3.376 1.00 0.00 N ATOM 743 CA ILE A 46 -1.866 -0.582 -3.029 1.00 0.00 C ATOM 744 C ILE A 46 -1.199 0.685 -2.504 1.00 0.00 C ATOM 745 O ILE A 46 -0.652 0.695 -1.397 1.00 0.00 O ATOM 746 CB ILE A 46 -1.091 -1.090 -4.266 1.00 0.00 C ATOM 747 CG1 ILE A 46 -1.606 -2.477 -4.648 1.00 0.00 C ATOM 748 CG2 ILE A 46 0.435 -1.151 -4.055 1.00 0.00 C ATOM 749 CD1 ILE A 46 -1.306 -2.860 -6.092 1.00 0.00 C ATOM 0 H ILE A 46 -3.511 -0.590 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.847 -1.346 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.267 -0.370 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.160 -3.217 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.683 -2.513 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.914 -1.516 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.810 -0.154 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.661 -1.826 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.700 -3.856 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.775 -2.141 -6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.228 -2.857 -6.253 1.00 0.00 H new ATOM 761 N ALA A 47 -1.249 1.748 -3.312 1.00 0.00 N ATOM 762 CA ALA A 47 -0.670 3.033 -2.965 1.00 0.00 C ATOM 763 C ALA A 47 -1.331 3.595 -1.707 1.00 0.00 C ATOM 764 O ALA A 47 -0.625 3.960 -0.780 1.00 0.00 O ATOM 765 CB ALA A 47 -0.798 3.989 -4.148 1.00 0.00 C ATOM 0 H ALA A 47 -1.696 1.733 -4.228 1.00 0.00 H new ATOM 0 HA ALA A 47 0.390 2.907 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.363 4.953 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.272 3.576 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.851 4.122 -4.396 1.00 0.00 H new ATOM 771 N GLU A 48 -2.664 3.608 -1.621 1.00 0.00 N ATOM 772 CA GLU A 48 -3.367 4.110 -0.431 1.00 0.00 C ATOM 773 C GLU A 48 -2.919 3.390 0.848 1.00 0.00 C ATOM 774 O GLU A 48 -2.607 4.045 1.843 1.00 0.00 O ATOM 775 CB GLU A 48 -4.890 4.000 -0.607 1.00 0.00 C ATOM 776 CG GLU A 48 -5.471 5.093 -1.511 1.00 0.00 C ATOM 777 CD GLU A 48 -5.620 6.436 -0.767 1.00 0.00 C ATOM 778 OE1 GLU A 48 -4.637 7.211 -0.693 1.00 0.00 O ATOM 779 OE2 GLU A 48 -6.729 6.729 -0.256 1.00 0.00 O ATOM 0 H GLU A 48 -3.282 3.276 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.104 5.162 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.132 3.023 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.368 4.054 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.825 5.228 -2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.444 4.775 -1.885 1.00 0.00 H new ATOM 786 N SER A 49 -2.820 2.059 0.818 1.00 0.00 N ATOM 787 CA SER A 49 -2.388 1.254 1.961 1.00 0.00 C ATOM 788 C SER A 49 -0.940 1.560 2.391 1.00 0.00 C ATOM 789 O SER A 49 -0.699 1.842 3.566 1.00 0.00 O ATOM 790 CB SER A 49 -2.585 -0.225 1.644 1.00 0.00 C ATOM 791 OG SER A 49 -3.933 -0.528 1.330 1.00 0.00 O ATOM 0 H SER A 49 -3.040 1.505 -0.010 1.00 0.00 H new ATOM 0 HA SER A 49 -3.009 1.520 2.817 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.947 -0.504 0.806 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.269 -0.824 2.498 1.00 0.00 H new ATOM 0 HG SER A 49 -4.119 -0.271 0.403 1.00 0.00 H new ATOM 797 N ASP A 50 0.032 1.562 1.468 1.00 0.00 N ATOM 798 CA ASP A 50 1.422 1.964 1.743 1.00 0.00 C ATOM 799 C ASP A 50 1.572 3.445 2.180 1.00 0.00 C ATOM 800 O ASP A 50 2.345 3.768 3.082 1.00 0.00 O ATOM 801 CB ASP A 50 2.263 1.702 0.486 1.00 0.00 C ATOM 802 CG ASP A 50 3.754 1.992 0.727 1.00 0.00 C ATOM 803 OD1 ASP A 50 4.410 1.213 1.458 1.00 0.00 O ATOM 804 OD2 ASP A 50 4.278 2.984 0.166 1.00 0.00 O ATOM 0 H ASP A 50 -0.124 1.282 0.500 1.00 0.00 H new ATOM 0 HA ASP A 50 1.771 1.368 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.140 0.664 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.899 2.324 -0.331 1.00 0.00 H new ATOM 809 N VAL A 51 0.830 4.367 1.562 1.00 0.00 N ATOM 810 CA VAL A 51 0.904 5.819 1.814 1.00 0.00 C ATOM 811 C VAL A 51 0.283 6.172 3.167 1.00 0.00 C ATOM 812 O VAL A 51 0.783 7.042 3.878 1.00 0.00 O ATOM 813 CB VAL A 51 0.275 6.612 0.650 1.00 0.00 C ATOM 814 CG1 VAL A 51 0.097 8.099 0.967 1.00 0.00 C ATOM 815 CG2 VAL A 51 1.190 6.496 -0.581 1.00 0.00 C ATOM 0 H VAL A 51 0.140 4.123 0.851 1.00 0.00 H new ATOM 0 HA VAL A 51 1.953 6.110 1.864 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.712 6.187 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.350 8.603 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.554 8.211 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.068 8.544 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.755 7.053 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.172 6.905 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.292 5.448 -0.861 1.00 0.00 H new ATOM 825 N GLU A 52 -0.757 5.461 3.595 1.00 0.00 N ATOM 826 CA GLU A 52 -1.281 5.588 4.955 1.00 0.00 C ATOM 827 C GLU A 52 -0.418 4.902 6.028 1.00 0.00 C ATOM 828 O GLU A 52 -0.510 5.264 7.201 1.00 0.00 O ATOM 829 CB GLU A 52 -2.727 5.076 5.019 1.00 0.00 C ATOM 830 CG GLU A 52 -3.723 6.046 4.382 1.00 0.00 C ATOM 831 CD GLU A 52 -5.176 5.605 4.652 1.00 0.00 C ATOM 832 OE1 GLU A 52 -5.709 4.736 3.921 1.00 0.00 O ATOM 833 OE2 GLU A 52 -5.803 6.133 5.604 1.00 0.00 O ATOM 0 H GLU A 52 -1.257 4.786 3.016 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.253 6.652 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.790 4.112 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.004 4.909 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.564 7.049 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.549 6.098 3.307 1.00 0.00 H new ATOM 840 N VAL A 53 0.480 3.980 5.658 1.00 0.00 N ATOM 841 CA VAL A 53 1.515 3.476 6.578 1.00 0.00 C ATOM 842 C VAL A 53 2.539 4.576 6.832 1.00 0.00 C ATOM 843 O VAL A 53 2.983 4.776 7.963 1.00 0.00 O ATOM 844 CB VAL A 53 2.164 2.192 6.016 1.00 0.00 C ATOM 845 CG1 VAL A 53 3.625 1.968 6.428 1.00 0.00 C ATOM 846 CG2 VAL A 53 1.309 0.990 6.411 1.00 0.00 C ATOM 0 H VAL A 53 0.513 3.565 4.727 1.00 0.00 H new ATOM 0 HA VAL A 53 1.062 3.206 7.532 1.00 0.00 H new ATOM 0 HB VAL A 53 2.198 2.316 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.990 1.042 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.233 2.802 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.690 1.900 7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.759 0.078 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.250 0.927 7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.306 1.106 5.999 1.00 0.00 H new ATOM 856 N LYS A 54 2.833 5.356 5.788 1.00 0.00 N ATOM 857 CA LYS A 54 3.655 6.554 5.851 1.00 0.00 C ATOM 858 C LYS A 54 2.996 7.572 6.766 1.00 0.00 C ATOM 859 O LYS A 54 3.598 8.025 7.734 1.00 0.00 O ATOM 860 CB LYS A 54 3.857 7.064 4.412 1.00 0.00 C ATOM 861 CG LYS A 54 5.261 6.709 3.918 1.00 0.00 C ATOM 862 CD LYS A 54 5.415 5.198 3.661 1.00 0.00 C ATOM 863 CE LYS A 54 6.848 4.768 3.321 1.00 0.00 C ATOM 864 NZ LYS A 54 7.794 5.035 4.437 1.00 0.00 N ATOM 0 H LYS A 54 2.491 5.159 4.847 1.00 0.00 H new ATOM 0 HA LYS A 54 4.638 6.353 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.109 6.622 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.714 8.144 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.472 7.257 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.997 7.029 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.083 4.653 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.756 4.910 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.860 3.704 3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.182 5.297 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.579 4.354 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.170 6.001 4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.296 4.937 5.345 1.00 0.00 H new ATOM 878 N LYS A 55 1.715 7.849 6.531 1.00 0.00 N ATOM 879 CA LYS A 55 0.910 8.728 7.380 1.00 0.00 C ATOM 880 C LYS A 55 0.977 8.363 8.866 1.00 0.00 C ATOM 881 O LYS A 55 1.192 9.241 9.696 1.00 0.00 O ATOM 882 CB LYS A 55 -0.537 8.736 6.852 1.00 0.00 C ATOM 883 CG LYS A 55 -1.339 9.994 7.192 1.00 0.00 C ATOM 884 CD LYS A 55 -0.608 11.248 6.687 1.00 0.00 C ATOM 885 CE LYS A 55 0.155 11.936 7.833 1.00 0.00 C ATOM 886 NZ LYS A 55 -0.673 12.950 8.539 1.00 0.00 N ATOM 0 H LYS A 55 1.200 7.466 5.738 1.00 0.00 H new ATOM 0 HA LYS A 55 1.327 9.734 7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.514 8.619 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.060 7.869 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.329 9.935 6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.485 10.060 8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.088 10.974 5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.327 11.944 6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.489 11.183 8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.049 12.415 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.339 13.050 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.593 13.865 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.667 12.645 8.542 1.00 0.00 H new ATOM 900 N ALA A 56 0.849 7.081 9.194 1.00 0.00 N ATOM 901 CA ALA A 56 0.851 6.595 10.570 1.00 0.00 C ATOM 902 C ALA A 56 2.239 6.743 11.212 1.00 0.00 C ATOM 903 O ALA A 56 2.361 7.245 12.331 1.00 0.00 O ATOM 904 CB ALA A 56 0.372 5.139 10.569 1.00 0.00 C ATOM 0 H ALA A 56 0.739 6.340 8.502 1.00 0.00 H new ATOM 0 HA ALA A 56 0.172 7.195 11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.366 4.757 11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.636 5.088 10.157 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.044 4.535 9.959 1.00 0.00 H new ATOM 910 N GLU A 57 3.295 6.328 10.508 1.00 0.00 N ATOM 911 CA GLU A 57 4.655 6.373 11.036 1.00 0.00 C ATOM 912 C GLU A 57 5.214 7.807 11.153 1.00 0.00 C ATOM 913 O GLU A 57 5.922 8.093 12.117 1.00 0.00 O ATOM 914 CB GLU A 57 5.549 5.404 10.245 1.00 0.00 C ATOM 915 CG GLU A 57 6.269 6.017 9.047 1.00 0.00 C ATOM 916 CD GLU A 57 7.023 4.962 8.214 1.00 0.00 C ATOM 917 OE1 GLU A 57 7.908 4.263 8.763 1.00 0.00 O ATOM 918 OE2 GLU A 57 6.773 4.858 6.989 1.00 0.00 O ATOM 0 H GLU A 57 3.229 5.954 9.561 1.00 0.00 H new ATOM 0 HA GLU A 57 4.640 6.027 12.070 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.294 4.987 10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.936 4.573 9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.544 6.527 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.973 6.772 9.397 1.00 0.00 H new ATOM 925 N LEU A 58 4.873 8.726 10.233 1.00 0.00 N ATOM 926 CA LEU A 58 5.232 10.150 10.335 1.00 0.00 C ATOM 927 C LEU A 58 4.502 10.844 11.500 1.00 0.00 C ATOM 928 O LEU A 58 5.147 11.542 12.282 1.00 0.00 O ATOM 929 CB LEU A 58 5.038 10.895 8.987 1.00 0.00 C ATOM 930 CG LEU A 58 6.162 10.779 7.930 1.00 0.00 C ATOM 931 CD1 LEU A 58 7.538 11.109 8.523 1.00 0.00 C ATOM 932 CD2 LEU A 58 6.298 9.433 7.227 1.00 0.00 C ATOM 0 H LEU A 58 4.338 8.500 9.394 1.00 0.00 H new ATOM 0 HA LEU A 58 6.297 10.196 10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.114 10.534 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.893 11.953 9.207 1.00 0.00 H new ATOM 0 HG LEU A 58 5.843 11.506 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.300 11.016 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.534 12.129 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.760 10.417 9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.119 9.478 6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.502 8.656 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.371 9.201 6.702 1.00 0.00 H new ATOM 944 N GLU A 59 3.202 10.610 11.718 1.00 0.00 N ATOM 945 CA GLU A 59 2.549 11.055 12.959 1.00 0.00 C ATOM 946 C GLU A 59 3.254 10.509 14.213 1.00 0.00 C ATOM 947 O GLU A 59 3.373 11.232 15.203 1.00 0.00 O ATOM 948 CB GLU A 59 1.056 10.695 12.958 1.00 0.00 C ATOM 949 CG GLU A 59 0.197 11.471 11.943 1.00 0.00 C ATOM 950 CD GLU A 59 0.255 13.001 12.079 1.00 0.00 C ATOM 951 OE1 GLU A 59 0.178 13.537 13.209 1.00 0.00 O ATOM 952 OE2 GLU A 59 0.352 13.684 11.031 1.00 0.00 O ATOM 0 H GLU A 59 2.589 10.123 11.064 1.00 0.00 H new ATOM 0 HA GLU A 59 2.634 12.141 12.995 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.956 9.629 12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.656 10.869 13.957 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.515 11.198 10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.840 11.151 12.047 1.00 0.00 H new ATOM 959 N LEU A 60 3.813 9.292 14.175 1.00 0.00 N ATOM 960 CA LEU A 60 4.672 8.802 15.247 1.00 0.00 C ATOM 961 C LEU A 60 6.093 9.394 15.292 1.00 0.00 C ATOM 962 O LEU A 60 6.693 9.319 16.361 1.00 0.00 O ATOM 963 CB LEU A 60 4.676 7.263 15.296 1.00 0.00 C ATOM 964 CG LEU A 60 4.084 6.701 16.603 1.00 0.00 C ATOM 965 CD1 LEU A 60 4.782 7.204 17.868 1.00 0.00 C ATOM 966 CD2 LEU A 60 2.582 6.963 16.720 1.00 0.00 C ATOM 0 H LEU A 60 3.682 8.632 13.409 1.00 0.00 H new ATOM 0 HA LEU A 60 4.216 9.181 16.162 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.107 6.877 14.450 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.699 6.904 15.183 1.00 0.00 H new ATOM 0 HG LEU A 60 4.260 5.627 16.534 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.308 6.763 18.745 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.833 6.918 17.842 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.703 8.290 17.920 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.212 6.548 17.658 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.397 8.037 16.701 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.064 6.491 15.885 1.00 0.00 H new ATOM 978 N VAL A 61 6.637 10.050 14.251 1.00 0.00 N ATOM 979 CA VAL A 61 7.875 10.848 14.413 1.00 0.00 C ATOM 980 C VAL A 61 7.672 11.941 15.470 1.00 0.00 C ATOM 981 O VAL A 61 8.553 12.164 16.306 1.00 0.00 O ATOM 982 CB VAL A 61 8.380 11.431 13.077 1.00 0.00 C ATOM 983 CG1 VAL A 61 9.538 12.421 13.246 1.00 0.00 C ATOM 984 CG2 VAL A 61 8.872 10.310 12.154 1.00 0.00 C ATOM 0 H VAL A 61 6.252 10.047 13.306 1.00 0.00 H new ATOM 0 HA VAL A 61 8.657 10.174 14.763 1.00 0.00 H new ATOM 0 HB VAL A 61 7.527 11.959 12.651 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.845 12.793 12.268 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.215 13.257 13.867 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.379 11.919 13.723 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.225 10.739 11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.688 9.773 12.637 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.053 9.620 11.952 1.00 0.00 H new ATOM 994 N LYS A 62 6.483 12.564 15.508 1.00 0.00 N ATOM 995 CA LYS A 62 6.084 13.418 16.644 1.00 0.00 C ATOM 996 C LYS A 62 5.943 12.646 17.950 1.00 0.00 C ATOM 997 O LYS A 62 6.540 13.040 18.945 1.00 0.00 O ATOM 998 CB LYS A 62 4.779 14.160 16.381 1.00 0.00 C ATOM 999 CG LYS A 62 5.026 15.301 15.397 1.00 0.00 C ATOM 1000 CD LYS A 62 3.717 16.047 15.131 1.00 0.00 C ATOM 1001 CE LYS A 62 2.737 15.177 14.328 1.00 0.00 C ATOM 1002 NZ LYS A 62 1.423 15.833 14.122 1.00 0.00 N ATOM 0 H LYS A 62 5.782 12.494 14.770 1.00 0.00 H new ATOM 0 HA LYS A 62 6.898 14.136 16.746 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.034 13.474 15.978 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.378 14.553 17.315 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.771 15.987 15.801 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.428 14.908 14.463 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.260 16.335 16.078 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.924 16.967 14.584 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.177 14.942 13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.588 14.231 14.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.769 15.165 13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.033 16.125 15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.544 16.669 13.515 1.00 0.00 H new ATOM 1016 N GLU A 63 5.134 11.585 17.988 1.00 0.00 N ATOM 1017 CA GLU A 63 4.639 11.033 19.257 1.00 0.00 C ATOM 1018 C GLU A 63 5.650 10.061 19.891 1.00 0.00 C ATOM 1019 O GLU A 63 5.461 9.564 21.001 1.00 0.00 O ATOM 1020 CB GLU A 63 3.230 10.457 19.051 1.00 0.00 C ATOM 1021 CG GLU A 63 2.186 11.564 18.884 1.00 0.00 C ATOM 1022 CD GLU A 63 0.755 10.991 18.895 1.00 0.00 C ATOM 1023 OE1 GLU A 63 0.243 10.587 17.823 1.00 0.00 O ATOM 1024 OE2 GLU A 63 0.122 10.955 19.979 1.00 0.00 O ATOM 0 H GLU A 63 4.807 11.090 17.158 1.00 0.00 H new ATOM 0 HA GLU A 63 4.543 11.829 19.996 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.224 9.815 18.170 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.964 9.831 19.903 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.294 12.293 19.687 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.361 12.093 17.947 1.00 0.00 H new ATOM 1031 N GLU A 64 6.776 9.869 19.208 1.00 0.00 N ATOM 1032 CA GLU A 64 8.084 9.638 19.788 1.00 0.00 C ATOM 1033 C GLU A 64 8.558 10.918 20.510 1.00 0.00 C ATOM 1034 O GLU A 64 8.306 11.073 21.703 1.00 0.00 O ATOM 1035 CB GLU A 64 8.954 9.145 18.616 1.00 0.00 C ATOM 1036 CG GLU A 64 10.461 9.100 18.798 1.00 0.00 C ATOM 1037 CD GLU A 64 10.993 8.246 19.965 1.00 0.00 C ATOM 1038 OE1 GLU A 64 10.212 7.694 20.771 1.00 0.00 O ATOM 1039 OE2 GLU A 64 12.236 8.148 20.099 1.00 0.00 O ATOM 0 H GLU A 64 6.795 9.872 18.188 1.00 0.00 H new ATOM 0 HA GLU A 64 8.119 8.882 20.572 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.622 8.140 18.357 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.743 9.782 17.757 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.904 8.727 17.874 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.818 10.121 18.934 1.00 0.00 H new ATOM 1046 N ALA A 65 9.210 11.868 19.836 1.00 0.00 N ATOM 1047 CA ALA A 65 10.157 12.791 20.476 1.00 0.00 C ATOM 1048 C ALA A 65 9.499 13.872 21.354 1.00 0.00 C ATOM 1049 O ALA A 65 10.136 14.413 22.263 1.00 0.00 O ATOM 1050 CB ALA A 65 11.035 13.396 19.381 1.00 0.00 C ATOM 0 H ALA A 65 9.099 12.021 18.834 1.00 0.00 H new ATOM 0 HA ALA A 65 10.761 12.221 21.182 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.750 14.087 19.828 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.573 12.601 18.865 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.409 13.932 18.668 1.00 0.00 H new ATOM 1056 N LYS A 66 8.224 14.176 21.098 1.00 0.00 N ATOM 1057 CA LYS A 66 7.382 15.082 21.885 1.00 0.00 C ATOM 1058 C LYS A 66 7.112 14.600 23.317 1.00 0.00 C ATOM 1059 O LYS A 66 7.137 15.392 24.256 1.00 0.00 O ATOM 1060 CB LYS A 66 6.053 15.249 21.143 1.00 0.00 C ATOM 1061 CG LYS A 66 6.166 16.054 19.847 1.00 0.00 C ATOM 1062 CD LYS A 66 6.507 17.539 20.002 1.00 0.00 C ATOM 1063 CE LYS A 66 5.356 18.288 20.685 1.00 0.00 C ATOM 1064 NZ LYS A 66 5.653 19.733 20.816 1.00 0.00 N ATOM 0 H LYS A 66 7.728 13.779 20.300 1.00 0.00 H new ATOM 0 HA LYS A 66 7.920 16.025 21.986 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.650 14.263 20.913 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.338 15.740 21.803 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.929 15.591 19.221 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.221 15.974 19.310 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.419 17.649 20.589 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.703 17.977 19.023 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.440 18.154 20.109 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.177 17.861 21.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.841 20.216 21.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.494 19.862 21.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.833 20.137 19.875 1.00 0.00 H new ATOM 1078 N GLU A 67 6.720 13.331 23.460 1.00 0.00 N ATOM 1079 CA GLU A 67 5.529 12.989 24.257 1.00 0.00 C ATOM 1080 C GLU A 67 5.337 13.031 25.774 1.00 0.00 C ATOM 1081 O GLU A 67 4.248 13.382 26.247 1.00 0.00 O ATOM 1082 CB GLU A 67 4.668 12.037 23.434 1.00 0.00 C ATOM 1083 CG GLU A 67 4.226 10.729 24.080 1.00 0.00 C ATOM 1084 CD GLU A 67 3.048 10.833 25.075 1.00 0.00 C ATOM 1085 OE1 GLU A 67 1.991 11.408 24.715 1.00 0.00 O ATOM 1086 OE2 GLU A 67 3.143 10.285 26.199 1.00 0.00 O ATOM 0 H GLU A 67 7.198 12.532 23.044 1.00 0.00 H new ATOM 0 HA GLU A 67 5.202 13.999 24.503 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.772 12.577 23.128 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.218 11.791 22.525 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.949 10.031 23.290 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.080 10.297 24.602 1.00 0.00 H new ATOM 1093 N PRO A 68 6.382 12.798 26.537 1.00 0.00 N ATOM 1094 CA PRO A 68 7.520 12.093 26.068 1.00 0.00 C ATOM 1095 C PRO A 68 7.167 10.682 25.655 1.00 0.00 C ATOM 1096 O PRO A 68 6.588 9.889 26.397 1.00 0.00 O ATOM 1097 CB PRO A 68 8.469 12.201 27.198 1.00 0.00 C ATOM 1098 CG PRO A 68 7.555 11.981 28.376 1.00 0.00 C ATOM 1099 CD PRO A 68 6.386 12.871 27.967 1.00 0.00 C ATOM 0 HA PRO A 68 7.958 12.497 25.155 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.258 11.451 27.145 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.957 13.175 27.233 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.265 10.937 28.490 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.006 12.291 29.318 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.446 12.514 28.388 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.523 13.895 28.314 1.00 0.00 H new ATOM 1107 N ARG A 69 7.607 10.358 24.446 1.00 0.00 N ATOM 1108 CA ARG A 69 8.893 9.695 24.386 1.00 0.00 C ATOM 1109 C ARG A 69 9.079 8.686 25.531 1.00 0.00 C ATOM 1110 O ARG A 69 9.981 8.782 26.363 1.00 0.00 O ATOM 1111 CB ARG A 69 9.976 10.794 24.246 1.00 0.00 C ATOM 1112 CG ARG A 69 11.063 10.389 23.273 1.00 0.00 C ATOM 1113 CD ARG A 69 11.882 9.268 23.882 1.00 0.00 C ATOM 1114 NE ARG A 69 12.595 8.486 22.868 1.00 0.00 N ATOM 1115 CZ ARG A 69 13.301 7.395 23.059 1.00 0.00 C ATOM 1116 NH1 ARG A 69 13.634 6.942 24.231 1.00 0.00 N ATOM 1117 NH2 ARG A 69 13.671 6.701 22.033 1.00 0.00 N ATOM 0 H ARG A 69 7.133 10.528 23.559 1.00 0.00 H new ATOM 0 HA ARG A 69 8.979 9.052 23.510 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.512 11.721 23.908 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.418 10.996 25.222 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.622 10.063 22.331 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.703 11.242 23.047 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.601 9.687 24.586 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.226 8.609 24.451 1.00 0.00 H new ATOM 0 HE ARG A 69 12.537 8.827 21.908 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.345 7.441 25.072 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.185 6.087 24.310 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.414 7.003 21.093 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.220 5.851 22.163 1.00 0.00 H new ATOM 1131 N ASN A 70 8.171 7.721 25.543 1.00 0.00 N ATOM 1132 CA ASN A 70 8.237 6.527 26.369 1.00 0.00 C ATOM 1133 C ASN A 70 8.614 5.282 25.547 1.00 0.00 C ATOM 1134 O ASN A 70 8.667 4.179 26.085 1.00 0.00 O ATOM 1135 CB ASN A 70 6.909 6.421 27.147 1.00 0.00 C ATOM 1136 CG ASN A 70 6.873 5.292 28.166 1.00 0.00 C ATOM 1137 OD1 ASN A 70 6.138 4.323 28.029 1.00 0.00 O ATOM 1138 ND2 ASN A 70 7.640 5.389 29.231 1.00 0.00 N ATOM 0 H ASN A 70 7.338 7.750 24.955 1.00 0.00 H new ATOM 0 HA ASN A 70 9.044 6.596 27.099 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.725 7.365 27.660 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.095 6.280 26.436 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.622 4.657 29.941 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.253 6.196 29.346 1.00 0.00 H new ATOM 1145 N GLU A 71 8.928 5.471 24.256 1.00 0.00 N ATOM 1146 CA GLU A 71 9.673 4.585 23.369 1.00 0.00 C ATOM 1147 C GLU A 71 8.878 3.364 22.878 1.00 0.00 C ATOM 1148 O GLU A 71 8.918 3.011 21.700 1.00 0.00 O ATOM 1149 CB GLU A 71 11.016 4.273 24.042 1.00 0.00 C ATOM 1150 CG GLU A 71 11.976 3.718 23.013 1.00 0.00 C ATOM 1151 CD GLU A 71 13.370 3.436 23.601 1.00 0.00 C ATOM 1152 OE1 GLU A 71 13.591 2.338 24.166 1.00 0.00 O ATOM 1153 OE2 GLU A 71 14.256 4.320 23.491 1.00 0.00 O ATOM 0 H GLU A 71 8.640 6.321 23.772 1.00 0.00 H new ATOM 0 HA GLU A 71 9.871 5.091 22.424 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.429 5.176 24.491 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.873 3.553 24.848 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.567 2.797 22.598 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.069 4.425 22.189 1.00 0.00 H new ATOM 1160 N GLU A 72 8.036 2.799 23.737 1.00 0.00 N ATOM 1161 CA GLU A 72 7.050 1.776 23.387 1.00 0.00 C ATOM 1162 C GLU A 72 6.012 2.309 22.388 1.00 0.00 C ATOM 1163 O GLU A 72 5.377 1.538 21.675 1.00 0.00 O ATOM 1164 CB GLU A 72 6.362 1.292 24.670 1.00 0.00 C ATOM 1165 CG GLU A 72 7.265 0.342 25.470 1.00 0.00 C ATOM 1166 CD GLU A 72 6.552 -0.199 26.726 1.00 0.00 C ATOM 1167 OE1 GLU A 72 5.613 -1.022 26.589 1.00 0.00 O ATOM 1168 OE2 GLU A 72 6.939 0.169 27.862 1.00 0.00 O ATOM 0 H GLU A 72 8.018 3.046 24.726 1.00 0.00 H new ATOM 0 HA GLU A 72 7.563 0.945 22.903 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.097 2.150 25.288 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.432 0.783 24.416 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.569 -0.491 24.836 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.174 0.866 25.765 1.00 0.00 H new ATOM 1175 N LYS A 73 5.827 3.633 22.330 1.00 0.00 N ATOM 1176 CA LYS A 73 4.817 4.311 21.520 1.00 0.00 C ATOM 1177 C LYS A 73 5.088 4.238 20.017 1.00 0.00 C ATOM 1178 O LYS A 73 4.207 3.836 19.258 1.00 0.00 O ATOM 1179 CB LYS A 73 4.646 5.742 22.034 1.00 0.00 C ATOM 1180 CG LYS A 73 3.623 5.816 23.172 1.00 0.00 C ATOM 1181 CD LYS A 73 3.819 4.885 24.382 1.00 0.00 C ATOM 1182 CE LYS A 73 3.122 3.518 24.261 1.00 0.00 C ATOM 1183 NZ LYS A 73 1.638 3.623 24.229 1.00 0.00 N ATOM 0 H LYS A 73 6.400 4.283 22.868 1.00 0.00 H new ATOM 0 HA LYS A 73 3.871 3.782 21.636 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.607 6.121 22.383 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.327 6.387 21.215 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.606 6.842 23.540 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.639 5.612 22.750 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.887 4.722 24.528 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.448 5.389 25.275 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.465 3.020 23.354 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.418 2.890 25.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.262 2.997 23.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.250 3.341 25.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.364 4.605 24.024 1.00 0.00 H new ATOM 1197 N VAL A 74 6.306 4.565 19.577 1.00 0.00 N ATOM 1198 CA VAL A 74 6.714 4.364 18.172 1.00 0.00 C ATOM 1199 C VAL A 74 6.684 2.871 17.794 1.00 0.00 C ATOM 1200 O VAL A 74 6.219 2.507 16.715 1.00 0.00 O ATOM 1201 CB VAL A 74 8.040 5.058 17.832 1.00 0.00 C ATOM 1202 CG1 VAL A 74 9.203 4.497 18.624 1.00 0.00 C ATOM 1203 CG2 VAL A 74 8.362 5.003 16.336 1.00 0.00 C ATOM 0 H VAL A 74 7.031 4.970 20.169 1.00 0.00 H new ATOM 0 HA VAL A 74 5.975 4.859 17.542 1.00 0.00 H new ATOM 0 HB VAL A 74 7.901 6.102 18.115 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.118 5.021 18.347 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.016 4.631 19.689 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.313 3.435 18.406 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.310 5.508 16.149 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.436 3.963 16.018 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.570 5.499 15.775 1.00 0.00 H new ATOM 1213 N LYS A 75 7.101 1.984 18.712 1.00 0.00 N ATOM 1214 CA LYS A 75 7.088 0.518 18.526 1.00 0.00 C ATOM 1215 C LYS A 75 5.688 -0.074 18.360 1.00 0.00 C ATOM 1216 O LYS A 75 5.459 -0.876 17.455 1.00 0.00 O ATOM 1217 CB LYS A 75 7.806 -0.144 19.712 1.00 0.00 C ATOM 1218 CG LYS A 75 9.302 0.203 19.787 1.00 0.00 C ATOM 1219 CD LYS A 75 10.105 -0.039 18.500 1.00 0.00 C ATOM 1220 CE LYS A 75 9.883 -1.447 17.935 1.00 0.00 C ATOM 1221 NZ LYS A 75 10.864 -1.760 16.862 1.00 0.00 N ATOM 0 H LYS A 75 7.464 2.268 19.622 1.00 0.00 H new ATOM 0 HA LYS A 75 7.609 0.312 17.591 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.322 0.164 20.639 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.694 -1.226 19.638 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.400 1.253 20.063 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.752 -0.381 20.590 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.820 0.700 17.751 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.166 0.106 18.703 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.971 -2.181 18.736 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.870 -1.527 17.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.688 -2.719 16.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.762 -1.073 16.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.829 -1.707 17.247 1.00 0.00 H new ATOM 1235 N GLN A 76 4.743 0.364 19.185 1.00 0.00 N ATOM 1236 CA GLN A 76 3.317 0.054 19.072 1.00 0.00 C ATOM 1237 C GLN A 76 2.757 0.433 17.695 1.00 0.00 C ATOM 1238 O GLN A 76 1.984 -0.325 17.105 1.00 0.00 O ATOM 1239 CB GLN A 76 2.585 0.790 20.206 1.00 0.00 C ATOM 1240 CG GLN A 76 1.063 0.594 20.143 1.00 0.00 C ATOM 1241 CD GLN A 76 0.344 0.949 21.448 1.00 0.00 C ATOM 1242 OE1 GLN A 76 0.824 1.692 22.298 1.00 0.00 O ATOM 1243 NE2 GLN A 76 -0.845 0.429 21.667 1.00 0.00 N ATOM 0 H GLN A 76 4.954 0.967 19.980 1.00 0.00 H new ATOM 0 HA GLN A 76 3.164 -1.021 19.167 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.955 0.432 21.167 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.814 1.854 20.152 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.659 1.207 19.337 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.849 -0.445 19.891 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.265 -0.192 20.975 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.346 0.647 22.528 1.00 0.00 H new ATOM 1252 N ALA A 77 3.181 1.579 17.154 1.00 0.00 N ATOM 1253 CA ALA A 77 2.772 1.981 15.811 1.00 0.00 C ATOM 1254 C ALA A 77 3.422 1.090 14.748 1.00 0.00 C ATOM 1255 O ALA A 77 2.771 0.753 13.762 1.00 0.00 O ATOM 1256 CB ALA A 77 3.088 3.456 15.582 1.00 0.00 C ATOM 0 H ALA A 77 3.802 2.238 17.623 1.00 0.00 H new ATOM 0 HA ALA A 77 1.693 1.851 15.722 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.778 3.743 14.577 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.552 4.061 16.313 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.160 3.620 15.692 1.00 0.00 H new ATOM 1262 N LYS A 78 4.671 0.648 14.960 1.00 0.00 N ATOM 1263 CA LYS A 78 5.368 -0.257 14.040 1.00 0.00 C ATOM 1264 C LYS A 78 4.643 -1.588 13.859 1.00 0.00 C ATOM 1265 O LYS A 78 4.505 -2.052 12.734 1.00 0.00 O ATOM 1266 CB LYS A 78 6.832 -0.471 14.434 1.00 0.00 C ATOM 1267 CG LYS A 78 7.637 -0.828 13.169 1.00 0.00 C ATOM 1268 CD LYS A 78 8.508 -2.082 13.310 1.00 0.00 C ATOM 1269 CE LYS A 78 7.633 -3.341 13.213 1.00 0.00 C ATOM 1270 NZ LYS A 78 8.441 -4.581 13.094 1.00 0.00 N ATOM 0 H LYS A 78 5.225 0.910 15.776 1.00 0.00 H new ATOM 0 HA LYS A 78 5.360 0.242 13.071 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.235 0.430 14.896 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.912 -1.270 15.171 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.944 -0.972 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.275 0.016 12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.269 -2.096 12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.032 -2.066 14.266 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.997 -3.408 14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.973 -3.256 12.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.885 -5.312 12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.304 -4.382 12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.701 -4.918 14.043 1.00 0.00 H new ATOM 1284 N ALA A 79 4.148 -2.184 14.943 1.00 0.00 N ATOM 1285 CA ALA A 79 3.308 -3.383 14.882 1.00 0.00 C ATOM 1286 C ALA A 79 2.021 -3.169 14.055 1.00 0.00 C ATOM 1287 O ALA A 79 1.577 -4.063 13.331 1.00 0.00 O ATOM 1288 CB ALA A 79 2.996 -3.829 16.315 1.00 0.00 C ATOM 0 H ALA A 79 4.318 -1.849 15.891 1.00 0.00 H new ATOM 0 HA ALA A 79 3.855 -4.169 14.361 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.371 -4.721 16.290 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.926 -4.052 16.837 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.469 -3.031 16.838 1.00 0.00 H new ATOM 1294 N GLU A 80 1.438 -1.969 14.123 1.00 0.00 N ATOM 1295 CA GLU A 80 0.257 -1.610 13.336 1.00 0.00 C ATOM 1296 C GLU A 80 0.630 -1.495 11.859 1.00 0.00 C ATOM 1297 O GLU A 80 0.043 -2.170 11.012 1.00 0.00 O ATOM 1298 CB GLU A 80 -0.342 -0.290 13.855 1.00 0.00 C ATOM 1299 CG GLU A 80 -1.801 -0.078 13.432 1.00 0.00 C ATOM 1300 CD GLU A 80 -2.747 -1.111 14.071 1.00 0.00 C ATOM 1301 OE1 GLU A 80 -3.156 -0.931 15.243 1.00 0.00 O ATOM 1302 OE2 GLU A 80 -3.099 -2.102 13.387 1.00 0.00 O ATOM 0 H GLU A 80 1.773 -1.218 14.727 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.496 -2.392 13.441 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.281 -0.274 14.943 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.260 0.542 13.490 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.117 0.926 13.715 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.876 -0.142 12.346 1.00 0.00 H new ATOM 1309 N VAL A 81 1.644 -0.687 11.533 1.00 0.00 N ATOM 1310 CA VAL A 81 2.055 -0.509 10.144 1.00 0.00 C ATOM 1311 C VAL A 81 2.622 -1.782 9.515 1.00 0.00 C ATOM 1312 O VAL A 81 2.466 -1.968 8.314 1.00 0.00 O ATOM 1313 CB VAL A 81 2.982 0.688 9.941 1.00 0.00 C ATOM 1314 CG1 VAL A 81 2.252 2.009 10.210 1.00 0.00 C ATOM 1315 CG2 VAL A 81 4.299 0.694 10.703 1.00 0.00 C ATOM 0 H VAL A 81 2.189 -0.151 12.209 1.00 0.00 H new ATOM 0 HA VAL A 81 1.135 -0.283 9.605 1.00 0.00 H new ATOM 0 HB VAL A 81 3.264 0.582 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.938 2.842 10.057 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.408 2.104 9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.890 2.022 11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.854 1.601 10.463 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.100 0.663 11.774 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.888 -0.178 10.418 1.00 0.00 H new ATOM 1325 N GLU A 82 3.188 -2.701 10.300 1.00 0.00 N ATOM 1326 CA GLU A 82 3.533 -4.059 9.860 1.00 0.00 C ATOM 1327 C GLU A 82 2.315 -4.835 9.322 1.00 0.00 C ATOM 1328 O GLU A 82 2.452 -5.545 8.323 1.00 0.00 O ATOM 1329 CB GLU A 82 4.213 -4.824 11.006 1.00 0.00 C ATOM 1330 CG GLU A 82 4.822 -6.163 10.569 1.00 0.00 C ATOM 1331 CD GLU A 82 5.514 -6.866 11.752 1.00 0.00 C ATOM 1332 OE1 GLU A 82 6.630 -6.443 12.141 1.00 0.00 O ATOM 1333 OE2 GLU A 82 4.954 -7.848 12.298 1.00 0.00 O ATOM 0 H GLU A 82 3.424 -2.522 11.276 1.00 0.00 H new ATOM 0 HA GLU A 82 4.230 -3.967 9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.997 -4.200 11.435 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.483 -5.006 11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.041 -6.807 10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.543 -5.995 9.769 1.00 0.00 H new ATOM 1340 N SER A 83 1.119 -4.691 9.916 1.00 0.00 N ATOM 1341 CA SER A 83 -0.089 -5.335 9.380 1.00 0.00 C ATOM 1342 C SER A 83 -0.522 -4.651 8.081 1.00 0.00 C ATOM 1343 O SER A 83 -0.784 -5.306 7.072 1.00 0.00 O ATOM 1344 CB SER A 83 -1.227 -5.293 10.408 1.00 0.00 C ATOM 1345 OG SER A 83 -0.921 -6.127 11.515 1.00 0.00 O ATOM 0 H SER A 83 0.964 -4.139 10.760 1.00 0.00 H new ATOM 0 HA SER A 83 0.143 -6.379 9.167 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.382 -4.269 10.747 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.158 -5.620 9.944 1.00 0.00 H new ATOM 0 HG SER A 83 -1.654 -6.090 12.165 1.00 0.00 H new ATOM 1351 N LYS A 84 -0.564 -3.316 8.089 1.00 0.00 N ATOM 1352 CA LYS A 84 -1.076 -2.501 6.977 1.00 0.00 C ATOM 1353 C LYS A 84 -0.174 -2.524 5.735 1.00 0.00 C ATOM 1354 O LYS A 84 -0.690 -2.566 4.617 1.00 0.00 O ATOM 1355 CB LYS A 84 -1.353 -1.078 7.484 1.00 0.00 C ATOM 1356 CG LYS A 84 -2.706 -0.952 8.207 1.00 0.00 C ATOM 1357 CD LYS A 84 -2.958 -1.887 9.399 1.00 0.00 C ATOM 1358 CE LYS A 84 -4.242 -1.478 10.118 1.00 0.00 C ATOM 1359 NZ LYS A 84 -4.653 -2.472 11.141 1.00 0.00 N ATOM 0 H LYS A 84 -0.239 -2.759 8.879 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.011 -2.943 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.555 -0.778 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.331 -0.387 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.807 0.075 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.496 -1.118 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.037 -2.918 9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.115 -1.846 10.089 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.097 -0.508 10.594 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.043 -1.358 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.580 -2.206 11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.719 -3.413 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.949 -2.494 11.906 1.00 0.00 H new ATOM 1373 N LYS A 85 1.155 -2.558 5.897 1.00 0.00 N ATOM 1374 CA LYS A 85 2.108 -2.746 4.785 1.00 0.00 C ATOM 1375 C LYS A 85 2.045 -4.159 4.201 1.00 0.00 C ATOM 1376 O LYS A 85 2.158 -4.312 2.985 1.00 0.00 O ATOM 1377 CB LYS A 85 3.540 -2.333 5.182 1.00 0.00 C ATOM 1378 CG LYS A 85 4.312 -3.370 6.017 1.00 0.00 C ATOM 1379 CD LYS A 85 5.608 -2.810 6.622 1.00 0.00 C ATOM 1380 CE LYS A 85 6.614 -2.388 5.541 1.00 0.00 C ATOM 1381 NZ LYS A 85 7.896 -1.923 6.134 1.00 0.00 N ATOM 0 H LYS A 85 1.606 -2.456 6.806 1.00 0.00 H new ATOM 0 HA LYS A 85 1.800 -2.073 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.107 -2.126 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.490 -1.401 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.670 -3.732 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.552 -4.228 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.373 -1.952 7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.062 -3.563 7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.805 -3.229 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.183 -1.591 4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.550 -1.647 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.717 -1.105 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.319 -2.692 6.692 1.00 0.00 H new ATOM 1395 N ALA A 86 1.814 -5.180 5.035 1.00 0.00 N ATOM 1396 CA ALA A 86 1.591 -6.543 4.558 1.00 0.00 C ATOM 1397 C ALA A 86 0.327 -6.614 3.691 1.00 0.00 C ATOM 1398 O ALA A 86 0.372 -7.189 2.607 1.00 0.00 O ATOM 1399 CB ALA A 86 1.551 -7.520 5.739 1.00 0.00 C ATOM 0 H ALA A 86 1.777 -5.083 6.050 1.00 0.00 H new ATOM 0 HA ALA A 86 2.425 -6.841 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.384 -8.532 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.499 -7.482 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.741 -7.242 6.414 1.00 0.00 H new ATOM 1405 N GLU A 87 -0.769 -5.967 4.105 1.00 0.00 N ATOM 1406 CA GLU A 87 -1.953 -5.783 3.255 1.00 0.00 C ATOM 1407 C GLU A 87 -1.607 -5.065 1.942 1.00 0.00 C ATOM 1408 O GLU A 87 -1.775 -5.661 0.886 1.00 0.00 O ATOM 1409 CB GLU A 87 -3.087 -5.077 4.013 1.00 0.00 C ATOM 1410 CG GLU A 87 -3.654 -5.989 5.104 1.00 0.00 C ATOM 1411 CD GLU A 87 -4.919 -5.385 5.743 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -4.798 -4.580 6.699 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -6.045 -5.722 5.302 1.00 0.00 O ATOM 0 H GLU A 87 -0.861 -5.558 5.035 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.315 -6.775 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.715 -4.155 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.878 -4.798 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.890 -6.964 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.899 -6.151 5.873 1.00 0.00 H new ATOM 1420 N ALA A 88 -1.052 -3.850 1.977 1.00 0.00 N ATOM 1421 CA ALA A 88 -0.603 -3.082 0.802 1.00 0.00 C ATOM 1422 C ALA A 88 0.164 -3.928 -0.231 1.00 0.00 C ATOM 1423 O ALA A 88 -0.128 -3.914 -1.427 1.00 0.00 O ATOM 1424 CB ALA A 88 0.281 -1.917 1.281 1.00 0.00 C ATOM 0 H ALA A 88 -0.895 -3.353 2.854 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.496 -2.718 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.620 -1.340 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.295 -1.273 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.144 -2.312 1.816 1.00 0.00 H new ATOM 1430 N THR A 89 1.146 -4.689 0.246 1.00 0.00 N ATOM 1431 CA THR A 89 1.984 -5.577 -0.573 1.00 0.00 C ATOM 1432 C THR A 89 1.259 -6.867 -1.018 1.00 0.00 C ATOM 1433 O THR A 89 1.552 -7.401 -2.088 1.00 0.00 O ATOM 1434 CB THR A 89 3.296 -5.830 0.181 1.00 0.00 C ATOM 1435 OG1 THR A 89 3.931 -4.574 0.388 1.00 0.00 O ATOM 1436 CG2 THR A 89 4.292 -6.708 -0.578 1.00 0.00 C ATOM 0 H THR A 89 1.391 -4.710 1.236 1.00 0.00 H new ATOM 0 HA THR A 89 2.213 -5.085 -1.518 1.00 0.00 H new ATOM 0 HB THR A 89 3.031 -6.348 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.568 -4.153 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.192 -6.839 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.842 -7.681 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.552 -6.230 -1.523 1.00 0.00 H new ATOM 1444 N ARG A 90 0.245 -7.343 -0.281 1.00 0.00 N ATOM 1445 CA ARG A 90 -0.715 -8.371 -0.743 1.00 0.00 C ATOM 1446 C ARG A 90 -1.711 -7.839 -1.784 1.00 0.00 C ATOM 1447 O ARG A 90 -2.068 -8.591 -2.690 1.00 0.00 O ATOM 1448 CB ARG A 90 -1.451 -9.003 0.451 1.00 0.00 C ATOM 1449 CG ARG A 90 -0.536 -9.950 1.246 1.00 0.00 C ATOM 1450 CD ARG A 90 -1.182 -10.335 2.582 1.00 0.00 C ATOM 1451 NE ARG A 90 -0.292 -11.200 3.380 1.00 0.00 N ATOM 1452 CZ ARG A 90 -0.508 -11.633 4.610 1.00 0.00 C ATOM 1453 NH1 ARG A 90 -1.592 -11.338 5.270 1.00 0.00 N ATOM 1454 NH2 ARG A 90 0.374 -12.382 5.209 1.00 0.00 N ATOM 0 H ARG A 90 0.061 -7.023 0.670 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.130 -9.142 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.820 -8.216 1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.321 -9.553 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.337 -10.848 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.425 -9.468 1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.418 -9.433 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.124 -10.851 2.397 1.00 0.00 H new ATOM 0 HE ARG A 90 0.579 -11.494 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.309 -10.754 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.724 -11.691 6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.237 -12.637 4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.202 -12.713 6.158 1.00 0.00 H new ATOM 1468 N LEU A 91 -2.106 -6.560 -1.748 1.00 0.00 N ATOM 1469 CA LEU A 91 -2.824 -5.935 -2.871 1.00 0.00 C ATOM 1470 C LEU A 91 -1.955 -5.943 -4.143 1.00 0.00 C ATOM 1471 O LEU A 91 -2.490 -6.070 -5.238 1.00 0.00 O ATOM 1472 CB LEU A 91 -3.316 -4.496 -2.584 1.00 0.00 C ATOM 1473 CG LEU A 91 -4.539 -4.230 -1.694 1.00 0.00 C ATOM 1474 CD1 LEU A 91 -5.750 -5.035 -2.124 1.00 0.00 C ATOM 1475 CD2 LEU A 91 -4.303 -4.523 -0.228 1.00 0.00 C ATOM 0 H LEU A 91 -1.942 -5.938 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.716 -6.543 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.478 -3.957 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.519 -4.032 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.722 -3.163 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.588 -4.812 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.015 -4.774 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.518 -6.099 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.211 -4.311 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.036 -5.573 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.492 -3.896 0.142 1.00 0.00 H new ATOM 1487 N GLU A 92 -0.624 -5.866 -4.025 1.00 0.00 N ATOM 1488 CA GLU A 92 0.302 -6.033 -5.158 1.00 0.00 C ATOM 1489 C GLU A 92 0.180 -7.418 -5.824 1.00 0.00 C ATOM 1490 O GLU A 92 0.155 -7.527 -7.053 1.00 0.00 O ATOM 1491 CB GLU A 92 1.752 -5.743 -4.727 1.00 0.00 C ATOM 1492 CG GLU A 92 2.348 -4.593 -5.537 1.00 0.00 C ATOM 1493 CD GLU A 92 3.845 -4.406 -5.222 1.00 0.00 C ATOM 1494 OE1 GLU A 92 4.692 -5.067 -5.871 1.00 0.00 O ATOM 1495 OE2 GLU A 92 4.188 -3.589 -4.333 1.00 0.00 O ATOM 0 H GLU A 92 -0.154 -5.685 -3.138 1.00 0.00 H new ATOM 0 HA GLU A 92 0.016 -5.302 -5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.776 -5.495 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.360 -6.638 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.220 -4.790 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.809 -3.672 -5.316 1.00 0.00 H new ATOM 1502 N LYS A 93 0.030 -8.486 -5.028 1.00 0.00 N ATOM 1503 CA LYS A 93 -0.342 -9.814 -5.529 1.00 0.00 C ATOM 1504 C LYS A 93 -1.746 -9.811 -6.148 1.00 0.00 C ATOM 1505 O LYS A 93 -1.945 -10.392 -7.212 1.00 0.00 O ATOM 1506 CB LYS A 93 -0.224 -10.858 -4.403 1.00 0.00 C ATOM 1507 CG LYS A 93 1.144 -10.914 -3.695 1.00 0.00 C ATOM 1508 CD LYS A 93 2.360 -11.115 -4.616 1.00 0.00 C ATOM 1509 CE LYS A 93 2.279 -12.427 -5.409 1.00 0.00 C ATOM 1510 NZ LYS A 93 3.496 -12.641 -6.236 1.00 0.00 N ATOM 0 H LYS A 93 0.164 -8.452 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 93 0.353 -10.086 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.992 -10.652 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.440 -11.842 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.282 -9.988 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.124 -11.725 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.430 -10.277 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.271 -11.110 -4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.155 -13.262 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.399 -12.411 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.408 -13.536 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.600 -11.856 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.332 -12.681 -5.619 1.00 0.00 H new ATOM 1524 N ILE A 94 -2.717 -9.133 -5.531 1.00 0.00 N ATOM 1525 CA ILE A 94 -4.107 -9.079 -6.017 1.00 0.00 C ATOM 1526 C ILE A 94 -4.289 -8.294 -7.331 1.00 0.00 C ATOM 1527 O ILE A 94 -5.014 -8.777 -8.201 1.00 0.00 O ATOM 1528 CB ILE A 94 -5.088 -8.756 -4.860 1.00 0.00 C ATOM 1529 CG1 ILE A 94 -6.174 -9.847 -4.727 1.00 0.00 C ATOM 1530 CG2 ILE A 94 -5.744 -7.381 -4.922 1.00 0.00 C ATOM 1531 CD1 ILE A 94 -7.263 -9.918 -5.810 1.00 0.00 C ATOM 0 H ILE A 94 -2.565 -8.601 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.390 -10.079 -6.345 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.454 -8.740 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.673 -10.814 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.668 -9.711 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.410 -7.257 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.975 -6.609 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.317 -7.293 -5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.951 -10.731 -5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.811 -8.976 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.800 -10.097 -6.780 1.00 0.00 H new ATOM 1543 N LYS A 95 -3.566 -7.187 -7.581 1.00 0.00 N ATOM 1544 CA LYS A 95 -3.494 -6.600 -8.945 1.00 0.00 C ATOM 1545 C LYS A 95 -2.926 -7.572 -9.993 1.00 0.00 C ATOM 1546 O LYS A 95 -3.355 -7.554 -11.145 1.00 0.00 O ATOM 1547 CB LYS A 95 -2.790 -5.226 -9.010 1.00 0.00 C ATOM 1548 CG LYS A 95 -1.258 -5.237 -8.872 1.00 0.00 C ATOM 1549 CD LYS A 95 -0.600 -3.913 -9.294 1.00 0.00 C ATOM 1550 CE LYS A 95 -0.559 -3.752 -10.821 1.00 0.00 C ATOM 1551 NZ LYS A 95 0.187 -2.531 -11.219 1.00 0.00 N ATOM 0 H LYS A 95 -3.030 -6.683 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.536 -6.415 -9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.044 -4.756 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.200 -4.594 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.995 -5.452 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.851 -6.046 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.149 -3.079 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.414 -3.870 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.090 -4.628 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.576 -3.702 -11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.313 -2.522 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.347 -1.687 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.118 -2.527 -10.756 1.00 0.00 H new ATOM 1565 N THR A 96 -1.992 -8.440 -9.600 1.00 0.00 N ATOM 1566 CA THR A 96 -1.401 -9.463 -10.488 1.00 0.00 C ATOM 1567 C THR A 96 -2.392 -10.598 -10.773 1.00 0.00 C ATOM 1568 O THR A 96 -2.468 -11.089 -11.897 1.00 0.00 O ATOM 1569 CB THR A 96 -0.087 -10.023 -9.911 1.00 0.00 C ATOM 1570 OG1 THR A 96 0.793 -8.968 -9.579 1.00 0.00 O ATOM 1571 CG2 THR A 96 0.663 -10.903 -10.913 1.00 0.00 C ATOM 0 H THR A 96 -1.617 -8.459 -8.652 1.00 0.00 H new ATOM 0 HA THR A 96 -1.170 -8.971 -11.433 1.00 0.00 H new ATOM 0 HB THR A 96 -0.372 -10.610 -9.038 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.505 -8.554 -8.739 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.582 -11.272 -10.457 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.035 -11.747 -11.198 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.908 -10.318 -11.799 1.00 0.00 H new ATOM 1579 N ASP A 97 -3.206 -10.984 -9.789 1.00 0.00 N ATOM 1580 CA ASP A 97 -4.274 -11.982 -9.938 1.00 0.00 C ATOM 1581 C ASP A 97 -5.397 -11.455 -10.847 1.00 0.00 C ATOM 1582 O ASP A 97 -5.834 -12.147 -11.767 1.00 0.00 O ATOM 1583 CB ASP A 97 -4.806 -12.365 -8.552 1.00 0.00 C ATOM 1584 CG ASP A 97 -5.838 -13.502 -8.640 1.00 0.00 C ATOM 1585 OD1 ASP A 97 -5.428 -14.671 -8.831 1.00 0.00 O ATOM 1586 OD2 ASP A 97 -7.053 -13.229 -8.503 1.00 0.00 O ATOM 0 H ASP A 97 -3.142 -10.605 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.869 -12.874 -10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -3.977 -12.673 -7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.262 -11.493 -8.082 1.00 0.00 H new ATOM 1591 N ARG A 98 -5.780 -10.185 -10.656 1.00 0.00 N ATOM 1592 CA ARG A 98 -6.618 -9.392 -11.573 1.00 0.00 C ATOM 1593 C ARG A 98 -6.071 -9.427 -13.009 1.00 0.00 C ATOM 1594 O ARG A 98 -6.818 -9.736 -13.936 1.00 0.00 O ATOM 1595 CB ARG A 98 -6.747 -7.972 -10.978 1.00 0.00 C ATOM 1596 CG ARG A 98 -7.010 -6.829 -11.967 1.00 0.00 C ATOM 1597 CD ARG A 98 -8.404 -6.865 -12.617 1.00 0.00 C ATOM 1598 NE ARG A 98 -9.469 -6.533 -11.645 1.00 0.00 N ATOM 1599 CZ ARG A 98 -9.744 -5.338 -11.151 1.00 0.00 C ATOM 1600 NH1 ARG A 98 -9.139 -4.258 -11.547 1.00 0.00 N ATOM 1601 NH2 ARG A 98 -10.627 -5.182 -10.212 1.00 0.00 N ATOM 0 H ARG A 98 -5.505 -9.659 -9.826 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.618 -9.818 -11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.556 -7.982 -10.247 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.829 -7.747 -10.435 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.888 -5.879 -11.447 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.255 -6.862 -12.752 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.437 -6.160 -13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.586 -7.856 -13.033 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.051 -7.306 -11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.419 -4.312 -12.268 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.384 -3.357 -11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.125 -5.991 -9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.823 -4.250 -9.846 1.00 0.00 H new ATOM 1615 N LYS A 99 -4.777 -9.139 -13.205 1.00 0.00 N ATOM 1616 CA LYS A 99 -4.106 -9.182 -14.520 1.00 0.00 C ATOM 1617 C LYS A 99 -4.138 -10.584 -15.154 1.00 0.00 C ATOM 1618 O LYS A 99 -4.387 -10.709 -16.353 1.00 0.00 O ATOM 1619 CB LYS A 99 -2.672 -8.637 -14.373 1.00 0.00 C ATOM 1620 CG LYS A 99 -1.980 -8.413 -15.727 1.00 0.00 C ATOM 1621 CD LYS A 99 -0.582 -7.803 -15.530 1.00 0.00 C ATOM 1622 CE LYS A 99 0.103 -7.449 -16.859 1.00 0.00 C ATOM 1623 NZ LYS A 99 0.474 -8.652 -17.653 1.00 0.00 N ATOM 0 H LYS A 99 -4.154 -8.865 -12.445 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.656 -8.544 -15.213 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.700 -7.696 -13.824 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.082 -9.335 -13.779 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.897 -9.360 -16.259 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.587 -7.752 -16.346 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.665 -6.905 -14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.043 -8.507 -14.980 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.563 -6.820 -17.450 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.999 -6.862 -16.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.932 -8.356 -18.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.131 -9.241 -17.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.382 -9.200 -17.873 1.00 0.00 H new ATOM 1637 N LYS A 100 -3.917 -11.634 -14.352 1.00 0.00 N ATOM 1638 CA LYS A 100 -3.852 -13.050 -14.770 1.00 0.00 C ATOM 1639 C LYS A 100 -5.176 -13.823 -14.575 1.00 0.00 C ATOM 1640 O LYS A 100 -5.169 -15.051 -14.549 1.00 0.00 O ATOM 1641 CB LYS A 100 -2.646 -13.695 -14.047 1.00 0.00 C ATOM 1642 CG LYS A 100 -2.098 -15.032 -14.592 1.00 0.00 C ATOM 1643 CD LYS A 100 -1.690 -15.026 -16.077 1.00 0.00 C ATOM 1644 CE LYS A 100 -2.849 -15.384 -17.021 1.00 0.00 C ATOM 1645 NZ LYS A 100 -2.444 -15.287 -18.447 1.00 0.00 N ATOM 0 H LYS A 100 -3.772 -11.520 -13.349 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.703 -13.101 -15.849 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.829 -12.973 -14.053 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.926 -13.850 -13.005 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.231 -15.319 -13.996 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.855 -15.802 -14.445 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.307 -14.040 -16.339 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.875 -15.734 -16.227 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.193 -16.396 -16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.690 -14.716 -16.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.251 -15.535 -19.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.139 -14.315 -18.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.658 -15.943 -18.630 1.00 0.00 H new ATOM 1812 N GLU A 111 -1.739 -29.851 -12.373 1.00 0.00 N ATOM 1813 CA GLU A 111 -1.411 -30.629 -13.571 1.00 0.00 C ATOM 1814 C GLU A 111 -0.254 -31.621 -13.328 1.00 0.00 C ATOM 1815 O GLU A 111 0.682 -31.731 -14.115 1.00 0.00 O ATOM 1816 CB GLU A 111 -1.210 -29.645 -14.737 1.00 0.00 C ATOM 1817 CG GLU A 111 -1.221 -30.272 -16.138 1.00 0.00 C ATOM 1818 CD GLU A 111 -2.636 -30.470 -16.711 1.00 0.00 C ATOM 1819 OE1 GLU A 111 -3.426 -31.260 -16.143 1.00 0.00 O ATOM 1820 OE2 GLU A 111 -2.952 -29.837 -17.750 1.00 0.00 O ATOM 0 HA GLU A 111 -2.234 -31.290 -13.843 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.993 -28.888 -14.690 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.260 -29.130 -14.596 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.649 -29.638 -16.815 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.715 -31.237 -16.100 1.00 0.00 H new ATOM 1827 N GLU A 112 -0.310 -32.373 -12.222 1.00 0.00 N ATOM 1828 CA GLU A 112 0.683 -33.406 -11.853 1.00 0.00 C ATOM 1829 C GLU A 112 0.890 -34.472 -12.956 1.00 0.00 C ATOM 1830 O GLU A 112 1.941 -35.100 -13.047 1.00 0.00 O ATOM 1831 CB GLU A 112 0.259 -34.035 -10.514 1.00 0.00 C ATOM 1832 CG GLU A 112 1.331 -34.941 -9.894 1.00 0.00 C ATOM 1833 CD GLU A 112 0.919 -35.394 -8.480 1.00 0.00 C ATOM 1834 OE1 GLU A 112 0.192 -36.410 -8.349 1.00 0.00 O ATOM 1835 OE2 GLU A 112 1.323 -34.743 -7.485 1.00 0.00 O ATOM 0 H GLU A 112 -1.062 -32.283 -11.539 1.00 0.00 H new ATOM 0 HA GLU A 112 1.656 -32.928 -11.743 1.00 0.00 H new ATOM 0 HB2 GLU A 112 0.016 -33.240 -9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -0.651 -34.615 -10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.487 -35.813 -10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.280 -34.408 -9.847 1.00 0.00 H new ATOM 1842 N ASP A 113 -0.079 -34.600 -13.865 1.00 0.00 N ATOM 1843 CA ASP A 113 -0.042 -35.371 -15.115 1.00 0.00 C ATOM 1844 C ASP A 113 1.109 -34.989 -16.077 1.00 0.00 C ATOM 1845 O ASP A 113 1.375 -35.706 -17.045 1.00 0.00 O ATOM 1846 CB ASP A 113 -1.392 -35.143 -15.811 1.00 0.00 C ATOM 1847 CG ASP A 113 -1.691 -36.192 -16.893 1.00 0.00 C ATOM 1848 OD1 ASP A 113 -1.846 -37.389 -16.553 1.00 0.00 O ATOM 1849 OD2 ASP A 113 -1.787 -35.817 -18.086 1.00 0.00 O ATOM 0 H ASP A 113 -0.978 -34.134 -13.740 1.00 0.00 H new ATOM 0 HA ASP A 113 0.140 -36.415 -14.861 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.187 -35.160 -15.066 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.400 -34.151 -16.262 1.00 0.00 H new ATOM 1854 N LYS A 114 1.798 -33.863 -15.837 1.00 0.00 N ATOM 1855 CA LYS A 114 2.910 -33.344 -16.644 1.00 0.00 C ATOM 1856 C LYS A 114 4.108 -34.290 -16.673 1.00 0.00 C ATOM 1857 O LYS A 114 4.808 -34.374 -17.679 1.00 0.00 O ATOM 1858 CB LYS A 114 3.301 -31.944 -16.123 1.00 0.00 C ATOM 1859 CG LYS A 114 3.930 -31.938 -14.712 1.00 0.00 C ATOM 1860 CD LYS A 114 4.189 -30.529 -14.154 1.00 0.00 C ATOM 1861 CE LYS A 114 2.878 -29.879 -13.695 1.00 0.00 C ATOM 1862 NZ LYS A 114 3.079 -28.574 -13.019 1.00 0.00 N ATOM 0 H LYS A 114 1.585 -33.264 -15.040 1.00 0.00 H new ATOM 0 HA LYS A 114 2.575 -33.265 -17.678 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.005 -31.493 -16.823 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.413 -31.313 -16.114 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.271 -32.474 -14.029 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.872 -32.486 -14.742 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.885 -30.586 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.659 -29.910 -14.918 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.228 -29.737 -14.559 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.362 -30.557 -13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.158 -28.186 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.675 -28.707 -12.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.545 -27.913 -13.672 1.00 0.00 H new ATOM 1876 N VAL A 115 4.336 -35.023 -15.583 1.00 0.00 N ATOM 1877 CA VAL A 115 5.563 -35.785 -15.322 1.00 0.00 C ATOM 1878 C VAL A 115 5.869 -36.886 -16.346 1.00 0.00 C ATOM 1879 O VAL A 115 7.032 -37.254 -16.513 1.00 0.00 O ATOM 1880 CB VAL A 115 5.545 -36.353 -13.893 1.00 0.00 C ATOM 1881 CG1 VAL A 115 5.453 -35.238 -12.843 1.00 0.00 C ATOM 1882 CG2 VAL A 115 4.447 -37.399 -13.658 1.00 0.00 C ATOM 0 H VAL A 115 3.651 -35.107 -14.832 1.00 0.00 H new ATOM 0 HA VAL A 115 6.379 -35.070 -15.428 1.00 0.00 H new ATOM 0 HB VAL A 115 6.498 -36.870 -13.779 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.443 -35.677 -11.846 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.314 -34.576 -12.939 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.537 -34.667 -12.998 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.497 -37.754 -12.629 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.471 -36.949 -13.840 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.592 -38.238 -14.338 1.00 0.00 H new ATOM 1892 N LYS A 116 4.854 -37.390 -17.066 1.00 0.00 N ATOM 1893 CA LYS A 116 5.005 -38.375 -18.151 1.00 0.00 C ATOM 1894 C LYS A 116 5.746 -37.836 -19.389 1.00 0.00 C ATOM 1895 O LYS A 116 6.304 -38.617 -20.158 1.00 0.00 O ATOM 1896 CB LYS A 116 3.611 -38.917 -18.514 1.00 0.00 C ATOM 1897 CG LYS A 116 2.763 -37.898 -19.290 1.00 0.00 C ATOM 1898 CD LYS A 116 1.306 -38.349 -19.453 1.00 0.00 C ATOM 1899 CE LYS A 116 0.543 -37.368 -20.351 1.00 0.00 C ATOM 1900 NZ LYS A 116 0.416 -36.030 -19.726 1.00 0.00 N ATOM 0 H LYS A 116 3.884 -37.118 -16.907 1.00 0.00 H new ATOM 0 HA LYS A 116 5.642 -39.180 -17.785 1.00 0.00 H new ATOM 0 HB2 LYS A 116 3.722 -39.822 -19.112 1.00 0.00 H new ATOM 0 HB3 LYS A 116 3.087 -39.200 -17.601 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.787 -36.940 -18.771 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.203 -37.739 -20.274 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.274 -39.349 -19.886 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.825 -38.408 -18.477 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.059 -37.275 -21.307 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.450 -37.766 -20.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -0.588 -35.823 -19.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.936 -36.017 -18.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.810 -35.310 -20.364 1.00 0.00 H new ATOM 1914 N GLU A 117 5.722 -36.516 -19.595 1.00 0.00 N ATOM 1915 CA GLU A 117 6.228 -35.823 -20.795 1.00 0.00 C ATOM 1916 C GLU A 117 7.230 -34.694 -20.478 1.00 0.00 C ATOM 1917 O GLU A 117 8.185 -34.487 -21.230 1.00 0.00 O ATOM 1918 CB GLU A 117 5.043 -35.329 -21.653 1.00 0.00 C ATOM 1919 CG GLU A 117 4.098 -34.342 -20.945 1.00 0.00 C ATOM 1920 CD GLU A 117 2.897 -33.960 -21.830 1.00 0.00 C ATOM 1921 OE1 GLU A 117 3.082 -33.244 -22.844 1.00 0.00 O ATOM 1922 OE2 GLU A 117 1.753 -34.360 -21.498 1.00 0.00 O ATOM 0 H GLU A 117 5.335 -35.871 -18.906 1.00 0.00 H new ATOM 0 HA GLU A 117 6.802 -36.548 -21.372 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.437 -34.852 -22.550 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.464 -36.193 -21.979 1.00 0.00 H new ATOM 0 HG2 GLU A 117 3.738 -34.786 -20.017 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.650 -33.442 -20.674 1.00 0.00 H new ATOM 1929 N LYS A 118 7.040 -33.996 -19.350 1.00 0.00 N ATOM 1930 CA LYS A 118 7.904 -32.937 -18.802 1.00 0.00 C ATOM 1931 C LYS A 118 8.121 -33.157 -17.287 1.00 0.00 C ATOM 1932 O LYS A 118 7.392 -32.567 -16.482 1.00 0.00 O ATOM 1933 CB LYS A 118 7.299 -31.552 -19.112 1.00 0.00 C ATOM 1934 CG LYS A 118 7.304 -31.224 -20.616 1.00 0.00 C ATOM 1935 CD LYS A 118 6.813 -29.801 -20.924 1.00 0.00 C ATOM 1936 CE LYS A 118 5.329 -29.612 -20.577 1.00 0.00 C ATOM 1937 NZ LYS A 118 4.853 -28.254 -20.949 1.00 0.00 N ATOM 0 H LYS A 118 6.228 -34.165 -18.757 1.00 0.00 H new ATOM 0 HA LYS A 118 8.884 -32.979 -19.277 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.275 -31.516 -18.740 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.860 -30.787 -18.576 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.315 -31.345 -21.005 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.673 -31.941 -21.140 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.410 -29.083 -20.362 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.967 -29.586 -21.981 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.734 -30.363 -21.097 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.181 -29.771 -19.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 3.847 -28.159 -20.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.405 -27.539 -20.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.973 -28.112 -21.972 1.00 0.00 H new