USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -3.48! X(o=-3.5!,f=-3.9) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= -3.04 (180deg=-3.09!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0879 K(o=-0.088,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 137:sc= -0.436 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 165:sc=-0.00388 (180deg=-0.197) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -1.06 (180deg=-2.47!) USER MOD Single : A 43 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.0089) USER MOD Single : A 44 SER OG : rot 80:sc= 0.942 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.27) USER MOD Single : A 63 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.4!) USER MOD Single : A 67 SER OG : rot -41:sc= 0.226 USER MOD Single : A 72 LYS NZ :NH3+ -133:sc= -1.01 (180deg=-1.64) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 76 THR OG1 : rot 96:sc= 0.376 USER MOD Single : A 78 GLN : amide:sc= -1.8! C(o=-1.8!,f=-2.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.4! K(o=-2.4!,f=-0.83) USER MOD Single : A 85 LYS NZ :NH3+ -138:sc= -0.676 (180deg=-3.79!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -2.87! K(o=-2.9!,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 81:sc= 0.103 USER MOD Single : A 102 ASN : amide:sc= -0.909 K(o=-0.91,f=-3.1!) USER MOD Single : B 63 LYS NZ :NH3+ 156:sc= -0.0452 (180deg=-0.338) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.403 -2.100 8.685 1.00 0.20 N ATOM 37 CA LYS A 3 -1.466 -3.180 9.135 1.00 0.18 C ATOM 38 C LYS A 3 -0.064 -2.837 8.639 1.00 0.15 C ATOM 39 O LYS A 3 0.138 -2.559 7.474 1.00 0.16 O ATOM 40 CB LYS A 3 -1.900 -4.517 8.514 1.00 0.19 C ATOM 41 CG LYS A 3 -1.050 -5.682 9.062 1.00 0.20 C ATOM 42 CD LYS A 3 -1.598 -6.150 10.418 1.00 0.81 C ATOM 43 CE LYS A 3 -0.774 -7.337 10.927 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.256 -7.718 12.285 1.00 1.67 N ATOM 0 HA LYS A 3 -1.478 -3.259 10.222 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.953 -4.698 8.730 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.800 -4.468 7.430 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.057 -6.511 8.354 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.013 -5.365 9.171 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.559 -5.333 11.138 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.645 -6.438 10.318 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.869 -8.181 10.244 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.283 -7.073 10.963 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.701 -8.524 12.637 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.144 -6.911 12.932 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.260 -7.985 12.235 1.00 1.67 H new ATOM 58 N GLN A 4 0.908 -2.864 9.511 1.00 0.15 N ATOM 59 CA GLN A 4 2.301 -2.547 9.088 1.00 0.14 C ATOM 60 C GLN A 4 3.046 -3.855 8.811 1.00 0.12 C ATOM 61 O GLN A 4 3.144 -4.718 9.661 1.00 0.13 O ATOM 62 CB GLN A 4 3.005 -1.777 10.212 1.00 0.16 C ATOM 63 CG GLN A 4 4.432 -1.425 9.779 1.00 0.17 C ATOM 64 CD GLN A 4 5.143 -0.681 10.910 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.758 -0.780 12.058 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.178 0.065 10.630 1.00 0.31 N ATOM 0 H GLN A 4 0.796 -3.092 10.499 1.00 0.15 H new ATOM 0 HA GLN A 4 2.289 -1.936 8.185 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.451 -0.868 10.446 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.028 -2.379 11.120 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.980 -2.332 9.526 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.408 -0.806 8.882 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.501 0.148 9.666 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.663 0.565 11.375 1.00 0.31 H new ATOM 75 N ILE A 5 3.591 -3.999 7.630 1.00 0.10 N ATOM 76 CA ILE A 5 4.352 -5.240 7.281 1.00 0.10 C ATOM 77 C ILE A 5 5.844 -4.930 7.355 1.00 0.10 C ATOM 78 O ILE A 5 6.352 -4.100 6.623 1.00 0.11 O ATOM 79 CB ILE A 5 3.978 -5.663 5.862 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.450 -5.705 5.735 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.560 -7.040 5.551 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.855 -6.629 6.811 1.00 0.19 C ATOM 0 H ILE A 5 3.542 -3.304 6.885 1.00 0.10 H new ATOM 0 HA ILE A 5 4.112 -6.047 7.973 1.00 0.10 H new ATOM 0 HB ILE A 5 4.387 -4.943 5.153 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.041 -4.700 5.841 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.169 -6.061 4.744 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.286 -7.330 4.537 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.646 -7.004 5.638 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.164 -7.770 6.257 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.770 -6.651 6.712 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.252 -7.636 6.685 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.121 -6.255 7.800 1.00 0.19 H new ATOM 94 N GLU A 6 6.554 -5.580 8.241 1.00 0.11 N ATOM 95 CA GLU A 6 8.018 -5.314 8.373 1.00 0.13 C ATOM 96 C GLU A 6 8.810 -6.394 7.641 1.00 0.12 C ATOM 97 O GLU A 6 10.024 -6.350 7.582 1.00 0.13 O ATOM 98 CB GLU A 6 8.391 -5.334 9.854 1.00 0.15 C ATOM 99 CG GLU A 6 7.593 -4.264 10.595 1.00 0.17 C ATOM 100 CD GLU A 6 8.155 -2.883 10.249 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.363 -2.773 10.122 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.370 -1.962 10.119 1.00 2.25 O ATOM 0 H GLU A 6 6.183 -6.284 8.879 1.00 0.11 H new ATOM 0 HA GLU A 6 8.253 -4.342 7.939 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.184 -6.316 10.279 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.459 -5.154 9.973 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.541 -4.321 10.317 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.648 -4.433 11.670 1.00 0.17 H new ATOM 109 N SER A 7 8.141 -7.366 7.083 1.00 0.12 N ATOM 110 CA SER A 7 8.873 -8.450 6.363 1.00 0.13 C ATOM 111 C SER A 7 7.984 -9.108 5.308 1.00 0.12 C ATOM 112 O SER A 7 6.773 -9.080 5.396 1.00 0.12 O ATOM 113 CB SER A 7 9.307 -9.516 7.368 1.00 0.15 C ATOM 114 OG SER A 7 8.155 -10.048 8.013 1.00 0.15 O ATOM 0 H SER A 7 7.125 -7.458 7.093 1.00 0.12 H new ATOM 0 HA SER A 7 9.738 -8.008 5.869 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.854 -10.311 6.860 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.984 -9.084 8.105 1.00 0.15 H new ATOM 0 HG SER A 7 8.428 -10.734 8.658 1.00 0.15 H new ATOM 120 N LYS A 8 8.581 -9.726 4.318 1.00 0.14 N ATOM 121 CA LYS A 8 7.770 -10.414 3.273 1.00 0.15 C ATOM 122 C LYS A 8 7.025 -11.567 3.932 1.00 0.15 C ATOM 123 O LYS A 8 5.939 -11.937 3.534 1.00 0.16 O ATOM 124 CB LYS A 8 8.674 -10.984 2.174 1.00 0.18 C ATOM 125 CG LYS A 8 7.807 -11.458 0.999 1.00 0.21 C ATOM 126 CD LYS A 8 8.591 -12.448 0.136 1.00 0.43 C ATOM 127 CE LYS A 8 9.856 -11.777 -0.395 1.00 0.80 C ATOM 128 NZ LYS A 8 9.520 -10.433 -0.946 1.00 1.65 N ATOM 0 H LYS A 8 9.592 -9.782 4.191 1.00 0.14 H new ATOM 0 HA LYS A 8 7.079 -9.699 2.826 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.379 -10.224 1.837 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.262 -11.814 2.565 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.899 -11.930 1.374 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.498 -10.604 0.397 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.853 -13.328 0.723 1.00 0.43 H new ATOM 0 HD3 LYS A 8 7.973 -12.790 -0.694 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.590 -11.679 0.405 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.309 -12.395 -1.170 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.394 -9.945 -1.229 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 8.901 -10.542 -1.775 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.030 -9.873 -0.220 1.00 1.65 H new ATOM 142 N THR A 9 7.615 -12.155 4.935 1.00 0.15 N ATOM 143 CA THR A 9 6.947 -13.303 5.602 1.00 0.17 C ATOM 144 C THR A 9 5.563 -12.873 6.072 1.00 0.16 C ATOM 145 O THR A 9 4.576 -13.543 5.830 1.00 0.17 O ATOM 146 CB THR A 9 7.770 -13.747 6.812 1.00 0.19 C ATOM 147 OG1 THR A 9 9.069 -14.142 6.387 1.00 0.22 O ATOM 148 CG2 THR A 9 7.067 -14.919 7.499 1.00 0.23 C ATOM 0 H THR A 9 8.523 -11.892 5.318 1.00 0.15 H new ATOM 0 HA THR A 9 6.861 -14.130 4.897 1.00 0.17 H new ATOM 0 HB THR A 9 7.863 -12.920 7.516 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.596 -14.425 7.164 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.651 -15.238 8.362 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.076 -14.607 7.827 1.00 0.23 H new ATOM 0 HG23 THR A 9 6.973 -15.748 6.798 1.00 0.23 H new ATOM 156 N ALA A 10 5.475 -11.756 6.732 1.00 0.15 N ATOM 157 CA ALA A 10 4.149 -11.277 7.197 1.00 0.15 C ATOM 158 C ALA A 10 3.318 -10.843 5.988 1.00 0.14 C ATOM 159 O ALA A 10 2.108 -10.926 5.992 1.00 0.15 O ATOM 160 CB ALA A 10 4.332 -10.098 8.156 1.00 0.17 C ATOM 0 H ALA A 10 6.264 -11.154 6.969 1.00 0.15 H new ATOM 0 HA ALA A 10 3.633 -12.081 7.721 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.356 -9.750 8.495 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.922 -10.416 9.015 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.848 -9.287 7.642 1.00 0.17 H new ATOM 166 N PHE A 11 3.965 -10.371 4.951 1.00 0.14 N ATOM 167 CA PHE A 11 3.214 -9.914 3.745 1.00 0.13 C ATOM 168 C PHE A 11 2.388 -11.071 3.195 1.00 0.14 C ATOM 169 O PHE A 11 1.231 -10.916 2.853 1.00 0.14 O ATOM 170 CB PHE A 11 4.224 -9.469 2.673 1.00 0.14 C ATOM 171 CG PHE A 11 3.508 -8.825 1.501 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.828 -7.612 1.670 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.543 -9.433 0.234 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.181 -7.014 0.580 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.896 -8.833 -0.853 1.00 0.14 C ATOM 176 CZ PHE A 11 2.214 -7.625 -0.681 1.00 0.14 C ATOM 0 H PHE A 11 4.979 -10.283 4.889 1.00 0.14 H new ATOM 0 HA PHE A 11 2.556 -9.087 4.011 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.934 -8.764 3.105 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.799 -10.328 2.328 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.802 -7.138 2.640 1.00 0.14 H new ATOM 0 HD2 PHE A 11 4.071 -10.366 0.099 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.656 -6.080 0.712 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.924 -9.304 -1.825 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.713 -7.163 -1.519 1.00 0.14 H new ATOM 186 N GLN A 12 2.966 -12.232 3.115 1.00 0.14 N ATOM 187 CA GLN A 12 2.202 -13.398 2.591 1.00 0.16 C ATOM 188 C GLN A 12 1.051 -13.715 3.548 1.00 0.15 C ATOM 189 O GLN A 12 -0.062 -13.976 3.140 1.00 0.16 O ATOM 190 CB GLN A 12 3.138 -14.605 2.507 1.00 0.18 C ATOM 191 CG GLN A 12 4.329 -14.275 1.597 1.00 0.17 C ATOM 192 CD GLN A 12 4.998 -15.574 1.140 1.00 0.40 C ATOM 193 OE1 GLN A 12 4.338 -16.567 0.927 1.00 1.12 O ATOM 194 NE2 GLN A 12 6.293 -15.606 0.978 1.00 1.31 N ATOM 0 H GLN A 12 3.929 -12.427 3.388 1.00 0.14 H new ATOM 0 HA GLN A 12 1.803 -13.170 1.603 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.492 -14.873 3.503 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.599 -15.469 2.118 1.00 0.18 H new ATOM 0 HG2 GLN A 12 3.992 -13.703 0.732 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.047 -13.652 2.131 1.00 0.17 H new ATOM 0 HE21 GLN A 12 6.850 -14.771 1.157 1.00 1.31 H new ATOM 0 HE22 GLN A 12 6.748 -16.466 0.672 1.00 1.31 H new ATOM 203 N GLU A 13 1.322 -13.670 4.825 1.00 0.16 N ATOM 204 CA GLU A 13 0.269 -13.946 5.848 1.00 0.17 C ATOM 205 C GLU A 13 -0.840 -12.896 5.770 1.00 0.15 C ATOM 206 O GLU A 13 -2.005 -13.201 5.928 1.00 0.16 O ATOM 207 CB GLU A 13 0.910 -13.929 7.244 1.00 0.19 C ATOM 208 CG GLU A 13 1.578 -15.276 7.539 1.00 0.28 C ATOM 209 CD GLU A 13 2.710 -15.535 6.547 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.412 -15.750 5.383 1.00 1.67 O ATOM 211 OE2 GLU A 13 3.854 -15.525 6.967 1.00 1.77 O ATOM 0 H GLU A 13 2.241 -13.451 5.209 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.171 -14.925 5.656 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.648 -13.129 7.303 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.151 -13.719 7.998 1.00 0.19 H new ATOM 0 HG2 GLU A 13 1.969 -15.281 8.556 1.00 0.28 H new ATOM 0 HG3 GLU A 13 0.841 -16.077 7.477 1.00 0.28 H new ATOM 218 N ALA A 14 -0.488 -11.659 5.557 1.00 0.15 N ATOM 219 CA ALA A 14 -1.527 -10.596 5.496 1.00 0.14 C ATOM 220 C ALA A 14 -2.395 -10.816 4.261 1.00 0.13 C ATOM 221 O ALA A 14 -3.601 -10.680 4.309 1.00 0.13 O ATOM 222 CB ALA A 14 -0.858 -9.221 5.424 1.00 0.15 C ATOM 0 H ALA A 14 0.471 -11.340 5.423 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.148 -10.639 6.391 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.623 -8.446 5.379 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.240 -9.070 6.309 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.234 -9.166 4.532 1.00 0.15 H new ATOM 228 N LEU A 15 -1.797 -11.170 3.155 1.00 0.12 N ATOM 229 CA LEU A 15 -2.602 -11.414 1.932 1.00 0.12 C ATOM 230 C LEU A 15 -3.578 -12.554 2.225 1.00 0.13 C ATOM 231 O LEU A 15 -4.729 -12.522 1.832 1.00 0.13 O ATOM 232 CB LEU A 15 -1.664 -11.815 0.783 1.00 0.13 C ATOM 233 CG LEU A 15 -0.820 -10.607 0.340 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.322 -11.081 -0.573 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.690 -9.595 -0.423 1.00 0.17 C ATOM 0 H LEU A 15 -0.791 -11.299 3.049 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.150 -10.516 1.647 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.011 -12.626 1.104 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.247 -12.189 -0.059 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.409 -10.126 1.228 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.918 -10.223 -0.885 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.954 -11.784 -0.030 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.095 -11.572 -1.452 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.078 -8.747 -0.729 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.115 -10.073 -1.306 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.495 -9.247 0.224 1.00 0.17 H new ATOM 247 N ASP A 16 -3.118 -13.555 2.924 1.00 0.13 N ATOM 248 CA ASP A 16 -3.994 -14.710 3.266 1.00 0.15 C ATOM 249 C ASP A 16 -5.069 -14.286 4.268 1.00 0.15 C ATOM 250 O ASP A 16 -6.187 -14.767 4.239 1.00 0.16 O ATOM 251 CB ASP A 16 -3.144 -15.816 3.896 1.00 0.17 C ATOM 252 CG ASP A 16 -3.957 -17.108 3.987 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.939 -17.221 3.272 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.582 -17.966 4.772 1.00 1.07 O ATOM 0 H ASP A 16 -2.163 -13.622 3.276 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.473 -15.069 2.355 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.247 -15.982 3.300 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.815 -15.512 4.890 1.00 0.17 H new ATOM 259 N ALA A 17 -4.732 -13.410 5.174 1.00 0.15 N ATOM 260 CA ALA A 17 -5.724 -12.971 6.193 1.00 0.16 C ATOM 261 C ALA A 17 -6.819 -12.145 5.518 1.00 0.15 C ATOM 262 O ALA A 17 -7.981 -12.239 5.859 1.00 0.17 O ATOM 263 CB ALA A 17 -5.019 -12.128 7.259 1.00 0.18 C ATOM 0 H ALA A 17 -3.811 -12.979 5.252 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.175 -13.844 6.665 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.744 -11.806 8.006 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.243 -12.724 7.740 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.567 -11.253 6.791 1.00 0.18 H new ATOM 269 N ALA A 18 -6.458 -11.348 4.553 1.00 0.14 N ATOM 270 CA ALA A 18 -7.479 -10.521 3.849 1.00 0.15 C ATOM 271 C ALA A 18 -8.524 -11.432 3.195 1.00 0.14 C ATOM 272 O ALA A 18 -9.691 -11.100 3.122 1.00 0.17 O ATOM 273 CB ALA A 18 -6.797 -9.677 2.775 1.00 0.15 C ATOM 0 H ALA A 18 -5.501 -11.233 4.220 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.972 -9.868 4.569 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.543 -9.072 2.260 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.058 -9.024 3.240 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.302 -10.332 2.058 1.00 0.15 H new ATOM 279 N GLY A 19 -8.116 -12.578 2.720 1.00 0.16 N ATOM 280 CA GLY A 19 -9.085 -13.506 2.068 1.00 0.20 C ATOM 281 C GLY A 19 -9.577 -12.907 0.747 1.00 0.16 C ATOM 282 O GLY A 19 -8.796 -12.568 -0.119 1.00 0.17 O ATOM 0 H GLY A 19 -7.153 -12.912 2.755 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.611 -14.470 1.885 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.930 -13.687 2.732 1.00 0.20 H new ATOM 286 N ASP A 20 -10.867 -12.793 0.578 1.00 0.15 N ATOM 287 CA ASP A 20 -11.412 -12.236 -0.695 1.00 0.14 C ATOM 288 C ASP A 20 -11.584 -10.719 -0.585 1.00 0.12 C ATOM 289 O ASP A 20 -12.063 -10.074 -1.496 1.00 0.13 O ATOM 290 CB ASP A 20 -12.773 -12.873 -0.979 1.00 0.15 C ATOM 291 CG ASP A 20 -12.612 -14.390 -1.110 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.548 -14.823 -1.525 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.558 -15.094 -0.798 1.00 1.07 O ATOM 0 H ASP A 20 -11.569 -13.062 1.268 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.715 -12.456 -1.504 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.470 -12.639 -0.175 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.194 -12.461 -1.896 1.00 0.15 H new ATOM 298 N LYS A 21 -11.207 -10.139 0.522 1.00 0.12 N ATOM 299 CA LYS A 21 -11.368 -8.662 0.675 1.00 0.12 C ATOM 300 C LYS A 21 -10.319 -7.941 -0.171 1.00 0.10 C ATOM 301 O LYS A 21 -9.247 -8.456 -0.413 1.00 0.11 O ATOM 302 CB LYS A 21 -11.162 -8.268 2.142 1.00 0.15 C ATOM 303 CG LYS A 21 -12.308 -8.811 3.004 1.00 0.21 C ATOM 304 CD LYS A 21 -12.309 -8.098 4.364 1.00 0.31 C ATOM 305 CE LYS A 21 -13.177 -8.876 5.359 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.332 -8.083 6.614 1.00 1.50 N ATOM 0 H LYS A 21 -10.797 -10.619 1.323 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.370 -8.381 0.350 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.210 -8.660 2.501 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.113 -7.183 2.231 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.262 -8.656 2.499 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.193 -9.886 3.145 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.290 -8.017 4.743 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.690 -7.083 4.252 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.155 -9.080 4.922 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.719 -9.840 5.580 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.921 -8.612 7.288 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.396 -7.910 7.033 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.787 -7.174 6.396 1.00 1.50 H new ATOM 320 N LEU A 22 -10.613 -6.748 -0.619 1.00 0.11 N ATOM 321 CA LEU A 22 -9.617 -6.009 -1.432 1.00 0.12 C ATOM 322 C LEU A 22 -8.397 -5.779 -0.536 1.00 0.12 C ATOM 323 O LEU A 22 -8.499 -5.808 0.676 1.00 0.14 O ATOM 324 CB LEU A 22 -10.234 -4.663 -1.878 1.00 0.15 C ATOM 325 CG LEU A 22 -9.856 -4.301 -3.329 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.382 -2.878 -3.667 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.327 -4.339 -3.521 1.00 0.47 C ATOM 0 H LEU A 22 -11.494 -6.261 -0.456 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.327 -6.561 -2.326 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.319 -4.716 -1.789 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.898 -3.871 -1.208 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.311 -5.033 -3.996 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.113 -2.625 -4.693 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.466 -2.856 -3.560 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.935 -2.154 -2.986 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.083 -4.081 -4.551 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.858 -3.623 -2.846 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.957 -5.341 -3.301 1.00 0.47 H new ATOM 339 N VAL A 23 -7.251 -5.551 -1.106 1.00 0.11 N ATOM 340 CA VAL A 23 -6.044 -5.321 -0.282 1.00 0.11 C ATOM 341 C VAL A 23 -5.157 -4.318 -0.988 1.00 0.11 C ATOM 342 O VAL A 23 -4.767 -4.513 -2.122 1.00 0.17 O ATOM 343 CB VAL A 23 -5.283 -6.628 -0.122 1.00 0.11 C ATOM 344 CG1 VAL A 23 -4.047 -6.394 0.740 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.184 -7.656 0.549 1.00 0.12 C ATOM 0 H VAL A 23 -7.101 -5.514 -2.114 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.333 -4.945 0.699 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.977 -6.995 -1.102 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.501 -7.330 0.855 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.404 -5.656 0.261 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.351 -6.029 1.721 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.642 -8.594 0.665 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.488 -7.289 1.529 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -7.068 -7.822 -0.067 1.00 0.12 H new ATOM 355 N VAL A 24 -4.839 -3.246 -0.325 1.00 0.09 N ATOM 356 CA VAL A 24 -3.970 -2.205 -0.937 1.00 0.09 C ATOM 357 C VAL A 24 -2.634 -2.190 -0.193 1.00 0.09 C ATOM 358 O VAL A 24 -2.593 -2.338 1.016 1.00 0.10 O ATOM 359 CB VAL A 24 -4.651 -0.844 -0.808 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.824 0.210 -1.544 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.053 -0.920 -1.422 1.00 0.14 C ATOM 0 H VAL A 24 -5.147 -3.043 0.626 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.802 -2.421 -1.992 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.729 -0.571 0.244 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.309 1.182 -1.453 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.826 0.260 -1.107 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.746 -0.059 -2.597 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.543 0.050 -1.332 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.975 -1.191 -2.475 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.640 -1.673 -0.896 1.00 0.14 H new ATOM 371 N VAL A 25 -1.538 -2.032 -0.900 1.00 0.09 N ATOM 372 CA VAL A 25 -0.194 -2.027 -0.231 1.00 0.09 C ATOM 373 C VAL A 25 0.539 -0.719 -0.563 1.00 0.10 C ATOM 374 O VAL A 25 0.805 -0.419 -1.710 1.00 0.11 O ATOM 375 CB VAL A 25 0.614 -3.220 -0.754 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.937 -3.331 0.003 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.192 -4.508 -0.558 1.00 0.10 C ATOM 0 H VAL A 25 -1.516 -1.906 -1.912 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.312 -2.103 0.850 1.00 0.09 H new ATOM 0 HB VAL A 25 0.820 -3.072 -1.814 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.503 -4.182 -0.376 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.515 -2.418 -0.139 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.738 -3.473 1.065 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.382 -5.357 -0.930 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.402 -4.648 0.502 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.131 -4.437 -1.107 1.00 0.10 H new ATOM 387 N ASP A 26 0.875 0.057 0.440 1.00 0.11 N ATOM 388 CA ASP A 26 1.599 1.352 0.195 1.00 0.12 C ATOM 389 C ASP A 26 3.114 1.157 0.400 1.00 0.14 C ATOM 390 O ASP A 26 3.558 0.806 1.469 1.00 0.20 O ATOM 391 CB ASP A 26 1.085 2.405 1.186 1.00 0.14 C ATOM 392 CG ASP A 26 1.737 3.755 0.884 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.151 3.950 -0.245 1.00 1.05 O ATOM 394 OD2 ASP A 26 1.814 4.570 1.790 1.00 1.04 O ATOM 0 H ASP A 26 0.680 -0.148 1.420 1.00 0.11 H new ATOM 0 HA ASP A 26 1.418 1.680 -0.829 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.001 2.489 1.113 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.313 2.100 2.207 1.00 0.14 H new ATOM 399 N PHE A 27 3.908 1.392 -0.615 1.00 0.13 N ATOM 400 CA PHE A 27 5.401 1.233 -0.484 1.00 0.13 C ATOM 401 C PHE A 27 6.052 2.586 -0.192 1.00 0.22 C ATOM 402 O PHE A 27 7.201 2.808 -0.512 1.00 0.73 O ATOM 403 CB PHE A 27 5.990 0.670 -1.782 1.00 0.11 C ATOM 404 CG PHE A 27 5.681 -0.804 -1.900 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.478 -1.741 -1.225 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.616 -1.236 -2.693 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.205 -3.108 -1.346 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.345 -2.602 -2.809 1.00 0.14 C ATOM 409 CZ PHE A 27 5.138 -3.538 -2.137 1.00 0.14 C ATOM 0 H PHE A 27 3.590 1.689 -1.537 1.00 0.13 H new ATOM 0 HA PHE A 27 5.601 0.545 0.337 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.579 1.205 -2.638 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.069 0.825 -1.797 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.302 -1.407 -0.612 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.003 -0.516 -3.215 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.819 -3.830 -0.828 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.520 -2.936 -3.420 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.925 -4.593 -2.230 1.00 0.14 H new ATOM 419 N SER A 28 5.330 3.500 0.381 1.00 0.30 N ATOM 420 CA SER A 28 5.924 4.839 0.651 1.00 0.24 C ATOM 421 C SER A 28 7.134 4.718 1.562 1.00 0.24 C ATOM 422 O SER A 28 7.199 3.873 2.432 1.00 0.28 O ATOM 423 CB SER A 28 4.893 5.730 1.341 1.00 0.27 C ATOM 424 OG SER A 28 3.760 5.884 0.500 1.00 0.29 O ATOM 0 H SER A 28 4.360 3.383 0.674 1.00 0.30 H new ATOM 0 HA SER A 28 6.228 5.272 -0.302 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.595 5.290 2.293 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.329 6.704 1.563 1.00 0.27 H new ATOM 0 HG SER A 28 2.942 5.800 1.034 1.00 0.29 H new ATOM 430 N ALA A 29 8.092 5.583 1.373 1.00 0.20 N ATOM 431 CA ALA A 29 9.300 5.550 2.232 1.00 0.21 C ATOM 432 C ALA A 29 8.983 6.315 3.509 1.00 0.22 C ATOM 433 O ALA A 29 8.553 7.452 3.472 1.00 0.22 O ATOM 434 CB ALA A 29 10.473 6.218 1.497 1.00 0.19 C ATOM 0 H ALA A 29 8.087 6.311 0.659 1.00 0.20 H new ATOM 0 HA ALA A 29 9.578 4.522 2.466 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.360 6.193 2.130 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.674 5.682 0.569 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.218 7.253 1.270 1.00 0.19 H new ATOM 440 N THR A 30 9.189 5.709 4.637 1.00 0.23 N ATOM 441 CA THR A 30 8.894 6.422 5.900 1.00 0.24 C ATOM 442 C THR A 30 9.891 7.568 6.039 1.00 0.22 C ATOM 443 O THR A 30 9.572 8.622 6.545 1.00 0.22 O ATOM 444 CB THR A 30 9.035 5.462 7.086 1.00 0.28 C ATOM 445 OG1 THR A 30 8.778 6.171 8.291 1.00 0.30 O ATOM 446 CG2 THR A 30 10.451 4.878 7.123 1.00 0.29 C ATOM 0 H THR A 30 9.546 4.759 4.739 1.00 0.23 H new ATOM 0 HA THR A 30 7.874 6.807 5.887 1.00 0.24 H new ATOM 0 HB THR A 30 8.321 4.646 6.979 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.865 5.562 9.054 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.542 4.197 7.969 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.645 4.335 6.198 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.175 5.686 7.228 1.00 0.29 H new ATOM 454 N TRP A 31 11.096 7.372 5.575 1.00 0.22 N ATOM 455 CA TRP A 31 12.114 8.458 5.670 1.00 0.21 C ATOM 456 C TRP A 31 11.786 9.592 4.699 1.00 0.19 C ATOM 457 O TRP A 31 12.159 10.727 4.916 1.00 0.22 O ATOM 458 CB TRP A 31 13.494 7.909 5.333 1.00 0.23 C ATOM 459 CG TRP A 31 13.515 7.402 3.924 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.377 6.110 3.568 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.672 8.154 2.686 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.486 6.007 2.188 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.658 7.245 1.600 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.834 9.519 2.405 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.803 7.682 0.282 1.00 0.21 C ATOM 466 CZ3 TRP A 31 13.976 9.960 1.082 1.00 0.23 C ATOM 467 CH2 TRP A 31 13.962 9.045 0.023 1.00 0.21 C ATOM 0 H TRP A 31 11.419 6.510 5.136 1.00 0.22 H new ATOM 0 HA TRP A 31 12.104 8.842 6.690 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.245 8.689 5.458 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.752 7.104 6.021 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.209 5.287 4.247 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.444 5.128 1.673 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.849 10.235 3.214 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.792 6.971 -0.531 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.097 11.014 0.878 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.074 9.393 -0.993 1.00 0.21 H new ATOM 478 N CYS A 32 11.100 9.304 3.624 1.00 0.18 N ATOM 479 CA CYS A 32 10.772 10.387 2.654 1.00 0.17 C ATOM 480 C CYS A 32 9.561 11.147 3.193 1.00 0.17 C ATOM 481 O CYS A 32 8.472 10.621 3.297 1.00 0.20 O ATOM 482 CB CYS A 32 10.454 9.769 1.279 1.00 0.18 C ATOM 483 SG CYS A 32 10.420 11.068 0.005 1.00 0.26 S ATOM 0 H CYS A 32 10.756 8.376 3.378 1.00 0.18 H new ATOM 0 HA CYS A 32 11.614 11.069 2.534 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.204 9.020 1.026 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.492 9.258 1.315 1.00 0.18 H new ATOM 488 N GLY A 33 9.769 12.383 3.563 1.00 0.20 N ATOM 489 CA GLY A 33 8.665 13.205 4.125 1.00 0.23 C ATOM 490 C GLY A 33 7.520 13.358 3.121 1.00 0.21 C ATOM 491 O GLY A 33 6.379 13.123 3.456 1.00 0.22 O ATOM 0 H GLY A 33 10.668 12.860 3.498 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.292 12.741 5.038 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.045 14.189 4.400 1.00 0.23 H new ATOM 495 N PRO A 34 7.797 13.762 1.906 1.00 0.21 N ATOM 496 CA PRO A 34 6.710 13.924 0.903 1.00 0.22 C ATOM 497 C PRO A 34 5.819 12.677 0.840 1.00 0.22 C ATOM 498 O PRO A 34 4.614 12.764 0.710 1.00 0.24 O ATOM 499 CB PRO A 34 7.510 14.126 -0.394 1.00 0.29 C ATOM 500 CG PRO A 34 8.928 14.565 0.002 1.00 0.31 C ATOM 501 CD PRO A 34 9.175 14.091 1.443 1.00 0.24 C ATOM 0 HA PRO A 34 6.019 14.739 1.120 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.542 13.203 -0.973 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.037 14.880 -1.023 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.666 14.134 -0.675 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.027 15.648 -0.067 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.835 13.224 1.479 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.635 14.867 2.054 1.00 0.24 H new ATOM 509 N ALA A 35 6.404 11.516 0.961 1.00 0.21 N ATOM 510 CA ALA A 35 5.586 10.272 0.931 1.00 0.23 C ATOM 511 C ALA A 35 4.855 10.125 2.272 1.00 0.23 C ATOM 512 O ALA A 35 3.668 9.877 2.321 1.00 0.22 O ATOM 513 CB ALA A 35 6.508 9.061 0.695 1.00 0.24 C ATOM 0 H ALA A 35 7.408 11.376 1.079 1.00 0.21 H new ATOM 0 HA ALA A 35 4.855 10.323 0.124 1.00 0.23 H new ATOM 0 HB1 ALA A 35 5.912 8.149 0.673 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.027 9.179 -0.256 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.239 8.997 1.501 1.00 0.24 H new ATOM 519 N LYS A 36 5.558 10.302 3.360 1.00 0.25 N ATOM 520 CA LYS A 36 4.904 10.187 4.697 1.00 0.27 C ATOM 521 C LYS A 36 3.786 11.224 4.784 1.00 0.26 C ATOM 522 O LYS A 36 2.789 11.028 5.449 1.00 0.27 O ATOM 523 CB LYS A 36 5.941 10.447 5.799 1.00 0.33 C ATOM 524 CG LYS A 36 5.304 10.223 7.179 1.00 0.37 C ATOM 525 CD LYS A 36 6.333 10.513 8.282 1.00 0.44 C ATOM 526 CE LYS A 36 5.701 10.272 9.660 1.00 0.89 C ATOM 527 NZ LYS A 36 5.481 8.810 9.865 1.00 1.59 N ATOM 0 H LYS A 36 6.554 10.521 3.381 1.00 0.25 H new ATOM 0 HA LYS A 36 4.492 9.187 4.828 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.795 9.782 5.671 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.317 11.467 5.723 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.437 10.872 7.299 1.00 0.37 H new ATOM 0 HG3 LYS A 36 4.948 9.196 7.263 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.206 9.872 8.155 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.680 11.543 8.206 1.00 0.44 H new ATOM 0 HE2 LYS A 36 6.351 10.665 10.442 1.00 0.89 H new ATOM 0 HE3 LYS A 36 4.754 10.806 9.734 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 5.297 8.624 10.872 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.665 8.499 9.301 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.328 8.286 9.566 1.00 1.59 H new ATOM 541 N MET A 37 3.948 12.321 4.107 1.00 0.28 N ATOM 542 CA MET A 37 2.913 13.388 4.127 1.00 0.30 C ATOM 543 C MET A 37 1.583 12.842 3.602 1.00 0.25 C ATOM 544 O MET A 37 0.533 13.315 3.973 1.00 0.25 O ATOM 545 CB MET A 37 3.372 14.547 3.241 1.00 0.38 C ATOM 546 CG MET A 37 2.417 15.729 3.402 1.00 0.44 C ATOM 547 SD MET A 37 2.615 16.440 5.051 1.00 1.54 S ATOM 548 CE MET A 37 1.618 17.916 4.761 1.00 2.10 C ATOM 0 H MET A 37 4.765 12.528 3.532 1.00 0.28 H new ATOM 0 HA MET A 37 2.774 13.734 5.151 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.385 14.846 3.512 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.402 14.231 2.198 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.622 16.483 2.642 1.00 0.44 H new ATOM 0 HG3 MET A 37 1.388 15.402 3.256 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.596 18.524 5.666 1.00 2.10 H new ATOM 0 HE2 MET A 37 2.053 18.494 3.946 1.00 2.10 H new ATOM 0 HE3 MET A 37 0.602 17.623 4.496 1.00 2.10 H new ATOM 558 N ILE A 38 1.629 11.886 2.714 1.00 0.23 N ATOM 559 CA ILE A 38 0.368 11.326 2.133 1.00 0.25 C ATOM 560 C ILE A 38 -0.227 10.250 3.057 1.00 0.26 C ATOM 561 O ILE A 38 -1.273 9.701 2.777 1.00 0.31 O ATOM 562 CB ILE A 38 0.674 10.673 0.773 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.670 11.537 0.007 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.616 10.565 -0.061 1.00 0.35 C ATOM 565 CD1 ILE A 38 1.943 10.894 -1.349 1.00 0.49 C ATOM 0 H ILE A 38 2.489 11.465 2.362 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.345 12.143 2.018 1.00 0.25 H new ATOM 0 HB ILE A 38 1.088 9.680 0.946 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.272 12.543 -0.126 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.597 11.634 0.572 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.391 10.102 -1.022 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.345 9.956 0.473 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.027 11.561 -0.226 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.655 11.505 -1.905 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.358 9.897 -1.202 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.012 10.820 -1.911 1.00 0.49 H new ATOM 577 N LYS A 39 0.430 9.888 4.125 1.00 0.27 N ATOM 578 CA LYS A 39 -0.148 8.791 4.954 1.00 0.34 C ATOM 579 C LYS A 39 -1.546 9.125 5.517 1.00 0.30 C ATOM 580 O LYS A 39 -2.326 8.224 5.711 1.00 0.33 O ATOM 581 CB LYS A 39 0.797 8.353 6.106 1.00 0.46 C ATOM 582 CG LYS A 39 0.746 9.295 7.333 1.00 0.50 C ATOM 583 CD LYS A 39 1.303 8.566 8.570 1.00 0.65 C ATOM 584 CE LYS A 39 0.406 7.371 8.959 1.00 0.80 C ATOM 585 NZ LYS A 39 0.989 6.105 8.413 1.00 0.75 N ATOM 0 H LYS A 39 1.310 10.287 4.452 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.261 7.954 4.266 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.531 7.344 6.420 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.820 8.311 5.731 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.328 10.195 7.137 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.280 9.613 7.517 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.314 8.215 8.365 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.371 9.262 9.406 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.321 7.306 10.044 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.601 7.517 8.568 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.266 5.599 7.862 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.797 6.332 7.799 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.309 5.503 9.198 1.00 0.75 H new ATOM 599 N PRO A 40 -1.888 10.365 5.827 1.00 0.26 N ATOM 600 CA PRO A 40 -3.231 10.627 6.415 1.00 0.25 C ATOM 601 C PRO A 40 -4.356 10.143 5.504 1.00 0.20 C ATOM 602 O PRO A 40 -5.330 9.610 5.967 1.00 0.21 O ATOM 603 CB PRO A 40 -3.222 12.157 6.559 1.00 0.26 C ATOM 604 CG PRO A 40 -1.756 12.584 6.535 1.00 0.28 C ATOM 605 CD PRO A 40 -1.039 11.574 5.639 1.00 0.27 C ATOM 0 HA PRO A 40 -3.409 10.102 7.353 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.777 12.627 5.747 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.700 12.462 7.490 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.651 13.596 6.145 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.333 12.584 7.540 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.008 11.897 4.598 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.008 11.406 5.952 1.00 0.27 H new ATOM 613 N PHE A 41 -4.225 10.309 4.214 1.00 0.16 N ATOM 614 CA PHE A 41 -5.306 9.832 3.302 1.00 0.13 C ATOM 615 C PHE A 41 -5.283 8.306 3.260 1.00 0.13 C ATOM 616 O PHE A 41 -6.275 7.646 3.480 1.00 0.15 O ATOM 617 CB PHE A 41 -5.042 10.345 1.889 1.00 0.14 C ATOM 618 CG PHE A 41 -5.186 11.840 1.833 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.158 12.650 2.313 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.337 12.413 1.281 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.275 14.041 2.246 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.457 13.805 1.210 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.425 14.620 1.693 1.00 0.37 C ATOM 0 H PHE A 41 -3.426 10.749 3.757 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.268 10.195 3.663 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.038 10.059 1.574 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.739 9.881 1.192 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.271 12.203 2.737 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.131 11.782 0.910 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.480 14.669 2.620 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.344 14.251 0.784 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.516 15.695 1.639 1.00 0.37 H new ATOM 633 N PHE A 42 -4.137 7.738 3.009 1.00 0.12 N ATOM 634 CA PHE A 42 -4.042 6.256 2.959 1.00 0.13 C ATOM 635 C PHE A 42 -4.500 5.691 4.307 1.00 0.14 C ATOM 636 O PHE A 42 -5.333 4.808 4.375 1.00 0.16 O ATOM 637 CB PHE A 42 -2.576 5.884 2.678 1.00 0.13 C ATOM 638 CG PHE A 42 -2.435 4.385 2.618 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.809 3.690 1.461 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.959 3.685 3.734 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.711 2.295 1.423 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.855 2.289 3.693 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.234 1.593 2.538 1.00 0.13 C ATOM 0 H PHE A 42 -3.264 8.237 2.837 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.675 5.841 2.175 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.252 6.327 1.736 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.932 6.289 3.459 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.173 4.230 0.599 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.672 4.222 4.626 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.004 1.758 0.533 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.483 1.749 4.551 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.159 0.516 2.507 1.00 0.13 H new ATOM 653 N HIS A 43 -3.997 6.235 5.374 1.00 0.16 N ATOM 654 CA HIS A 43 -4.401 5.786 6.737 1.00 0.18 C ATOM 655 C HIS A 43 -5.858 6.172 7.027 1.00 0.16 C ATOM 656 O HIS A 43 -6.611 5.410 7.597 1.00 0.16 O ATOM 657 CB HIS A 43 -3.467 6.459 7.748 1.00 0.23 C ATOM 658 CG HIS A 43 -3.822 6.050 9.147 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.176 5.016 9.797 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.773 6.506 10.019 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.746 4.879 11.007 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.728 5.766 11.197 1.00 0.31 N ATOM 0 H HIS A 43 -3.309 6.988 5.362 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.326 4.701 6.809 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.434 6.186 7.535 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.537 7.542 7.651 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.456 7.319 9.822 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.447 4.142 11.737 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.315 5.876 12.024 1.00 0.31 H new ATOM 670 N SER A 44 -6.261 7.354 6.642 1.00 0.15 N ATOM 671 CA SER A 44 -7.666 7.780 6.905 1.00 0.15 C ATOM 672 C SER A 44 -8.640 6.875 6.138 1.00 0.13 C ATOM 673 O SER A 44 -9.713 6.562 6.611 1.00 0.15 O ATOM 674 CB SER A 44 -7.882 9.237 6.483 1.00 0.18 C ATOM 675 OG SER A 44 -7.146 10.092 7.352 1.00 0.22 O ATOM 0 H SER A 44 -5.681 8.040 6.159 1.00 0.15 H new ATOM 0 HA SER A 44 -7.853 7.695 7.975 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.558 9.381 5.452 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.943 9.486 6.522 1.00 0.18 H new ATOM 0 HG SER A 44 -6.205 10.105 7.079 1.00 0.22 H new ATOM 681 N LEU A 45 -8.284 6.473 4.944 1.00 0.12 N ATOM 682 CA LEU A 45 -9.204 5.613 4.133 1.00 0.14 C ATOM 683 C LEU A 45 -9.458 4.284 4.837 1.00 0.13 C ATOM 684 O LEU A 45 -10.484 3.663 4.646 1.00 0.15 O ATOM 685 CB LEU A 45 -8.600 5.329 2.757 1.00 0.16 C ATOM 686 CG LEU A 45 -8.670 6.587 1.877 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.798 6.374 0.634 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.128 6.868 1.452 1.00 0.22 C ATOM 0 H LEU A 45 -7.397 6.702 4.495 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.144 6.152 4.018 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.564 5.009 2.866 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.137 4.511 2.278 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.306 7.444 2.444 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.841 7.262 0.003 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.767 6.195 0.939 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.165 5.513 0.075 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.160 7.762 0.829 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.512 6.019 0.887 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.742 7.022 2.339 1.00 0.22 H new ATOM 700 N SER A 46 -8.538 3.824 5.632 1.00 0.12 N ATOM 701 CA SER A 46 -8.750 2.520 6.316 1.00 0.12 C ATOM 702 C SER A 46 -10.104 2.542 7.021 1.00 0.14 C ATOM 703 O SER A 46 -10.809 1.559 7.052 1.00 0.16 O ATOM 704 CB SER A 46 -7.643 2.293 7.349 1.00 0.13 C ATOM 705 OG SER A 46 -6.380 2.242 6.694 1.00 0.14 O ATOM 0 H SER A 46 -7.654 4.289 5.838 1.00 0.12 H new ATOM 0 HA SER A 46 -8.727 1.714 5.582 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.649 3.096 8.086 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.821 1.363 7.889 1.00 0.13 H new ATOM 0 HG SER A 46 -5.673 2.098 7.357 1.00 0.14 H new ATOM 711 N GLU A 47 -10.475 3.657 7.591 1.00 0.15 N ATOM 712 CA GLU A 47 -11.788 3.727 8.286 1.00 0.18 C ATOM 713 C GLU A 47 -12.884 4.100 7.274 1.00 0.18 C ATOM 714 O GLU A 47 -14.055 3.929 7.541 1.00 0.21 O ATOM 715 CB GLU A 47 -11.728 4.799 9.384 1.00 0.22 C ATOM 716 CG GLU A 47 -10.816 4.338 10.529 1.00 0.23 C ATOM 717 CD GLU A 47 -9.352 4.383 10.086 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.039 5.184 9.222 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.567 3.615 10.619 1.00 2.05 O ATOM 0 H GLU A 47 -9.927 4.517 7.604 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.015 2.758 8.731 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.356 5.735 8.968 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.730 4.996 9.765 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.960 4.978 11.399 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.082 3.325 10.831 1.00 0.23 H new ATOM 726 N LYS A 48 -12.527 4.597 6.106 1.00 0.17 N ATOM 727 CA LYS A 48 -13.586 4.947 5.107 1.00 0.19 C ATOM 728 C LYS A 48 -14.034 3.661 4.440 1.00 0.18 C ATOM 729 O LYS A 48 -15.202 3.454 4.177 1.00 0.21 O ATOM 730 CB LYS A 48 -13.060 5.923 4.043 1.00 0.20 C ATOM 731 CG LYS A 48 -14.234 6.365 3.151 1.00 0.30 C ATOM 732 CD LYS A 48 -13.732 7.229 1.985 1.00 0.82 C ATOM 733 CE LYS A 48 -13.492 8.665 2.457 1.00 1.03 C ATOM 734 NZ LYS A 48 -13.104 9.506 1.292 1.00 1.78 N ATOM 0 H LYS A 48 -11.567 4.771 5.809 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.414 5.438 5.618 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.601 6.789 4.520 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.288 5.444 3.441 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.753 5.488 2.764 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.956 6.928 3.743 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -12.809 6.811 1.584 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.463 7.222 1.176 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.394 9.062 2.923 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -12.707 8.685 3.213 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -12.940 10.483 1.608 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -12.233 9.129 0.866 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.867 9.494 0.586 1.00 1.78 H new ATOM 748 N TYR A 49 -13.102 2.778 4.196 1.00 0.16 N ATOM 749 CA TYR A 49 -13.438 1.462 3.576 1.00 0.17 C ATOM 750 C TYR A 49 -12.996 0.382 4.562 1.00 0.16 C ATOM 751 O TYR A 49 -12.098 -0.393 4.304 1.00 0.16 O ATOM 752 CB TYR A 49 -12.682 1.307 2.246 1.00 0.17 C ATOM 753 CG TYR A 49 -13.207 2.309 1.237 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.475 2.132 0.667 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.428 3.419 0.875 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.963 3.059 -0.261 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.920 4.346 -0.053 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.186 4.167 -0.621 1.00 0.21 C ATOM 759 OH TYR A 49 -14.667 5.083 -1.537 1.00 0.25 O ATOM 0 H TYR A 49 -12.112 2.914 4.402 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.505 1.384 3.368 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.615 1.461 2.404 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.804 0.294 1.863 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.076 1.279 0.944 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.450 3.558 1.312 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.940 2.920 -0.700 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.321 5.201 -0.331 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.002 5.790 -1.672 1.00 0.25 H new ATOM 769 N SER A 50 -13.636 0.335 5.701 1.00 0.17 N ATOM 770 CA SER A 50 -13.271 -0.672 6.728 1.00 0.18 C ATOM 771 C SER A 50 -13.528 -2.063 6.159 1.00 0.19 C ATOM 772 O SER A 50 -13.162 -3.067 6.742 1.00 0.21 O ATOM 773 CB SER A 50 -14.112 -0.449 7.986 1.00 0.20 C ATOM 774 OG SER A 50 -15.446 -0.885 7.753 1.00 0.22 O ATOM 0 H SER A 50 -14.401 0.958 5.961 1.00 0.17 H new ATOM 0 HA SER A 50 -12.218 -0.576 6.993 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.681 -0.996 8.825 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.106 0.607 8.257 1.00 0.20 H new ATOM 0 HG SER A 50 -15.982 -0.743 8.561 1.00 0.22 H new ATOM 780 N ASN A 51 -14.146 -2.124 5.010 1.00 0.20 N ATOM 781 CA ASN A 51 -14.424 -3.439 4.374 1.00 0.23 C ATOM 782 C ASN A 51 -13.260 -3.802 3.457 1.00 0.19 C ATOM 783 O ASN A 51 -13.282 -4.806 2.771 1.00 0.22 O ATOM 784 CB ASN A 51 -15.707 -3.342 3.555 1.00 0.32 C ATOM 785 CG ASN A 51 -16.119 -4.738 3.093 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.440 -5.588 3.901 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.117 -5.015 1.819 1.00 0.27 N ATOM 0 H ASN A 51 -14.471 -1.313 4.484 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.541 -4.205 5.140 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.501 -2.896 4.154 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.554 -2.692 2.694 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.385 -5.946 1.499 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.848 -4.301 1.142 1.00 0.27 H new ATOM 794 N VAL A 52 -12.236 -2.989 3.460 1.00 0.21 N ATOM 795 CA VAL A 52 -11.031 -3.255 2.620 1.00 0.17 C ATOM 796 C VAL A 52 -9.825 -3.272 3.558 1.00 0.13 C ATOM 797 O VAL A 52 -9.817 -2.590 4.566 1.00 0.14 O ATOM 798 CB VAL A 52 -10.877 -2.145 1.569 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.491 -2.240 0.902 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.976 -2.297 0.508 1.00 0.24 C ATOM 0 H VAL A 52 -12.184 -2.137 4.019 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.119 -4.205 2.094 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.969 -1.173 2.053 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.390 -1.450 0.158 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.715 -2.127 1.659 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.387 -3.210 0.417 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.871 -1.511 -0.240 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.885 -3.271 0.027 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.954 -2.217 0.983 1.00 0.24 H new ATOM 810 N ILE A 53 -8.818 -4.060 3.269 1.00 0.11 N ATOM 811 CA ILE A 53 -7.637 -4.121 4.194 1.00 0.09 C ATOM 812 C ILE A 53 -6.506 -3.253 3.628 1.00 0.09 C ATOM 813 O ILE A 53 -6.061 -3.457 2.514 1.00 0.12 O ATOM 814 CB ILE A 53 -7.136 -5.568 4.296 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.321 -6.503 4.589 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.096 -5.683 5.430 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.098 -6.027 5.823 1.00 0.15 C ATOM 0 H ILE A 53 -8.760 -4.657 2.444 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.934 -3.760 5.179 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.671 -5.854 3.352 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.986 -6.537 3.726 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.958 -7.518 4.751 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.744 -6.712 5.498 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.253 -5.024 5.219 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.555 -5.394 6.375 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.932 -6.703 6.011 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.436 -6.018 6.689 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.479 -5.021 5.647 1.00 0.15 H new ATOM 829 N PHE A 54 -6.027 -2.296 4.391 1.00 0.08 N ATOM 830 CA PHE A 54 -4.908 -1.418 3.902 1.00 0.09 C ATOM 831 C PHE A 54 -3.583 -1.832 4.568 1.00 0.09 C ATOM 832 O PHE A 54 -3.483 -1.904 5.777 1.00 0.12 O ATOM 833 CB PHE A 54 -5.201 0.044 4.272 1.00 0.10 C ATOM 834 CG PHE A 54 -6.355 0.582 3.454 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.664 0.217 3.770 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.115 1.463 2.391 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.732 0.730 3.025 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.181 1.973 1.643 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.491 1.606 1.961 1.00 0.10 C ATOM 0 H PHE A 54 -6.361 -2.084 5.331 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.828 -1.525 2.820 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.437 0.115 5.334 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.313 0.653 4.101 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.853 -0.461 4.589 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.102 1.749 2.148 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.745 0.449 3.272 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -6.992 2.649 0.822 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.317 1.998 1.386 1.00 0.10 H new ATOM 849 N LEU A 55 -2.556 -2.091 3.778 1.00 0.09 N ATOM 850 CA LEU A 55 -1.207 -2.476 4.342 1.00 0.11 C ATOM 851 C LEU A 55 -0.203 -1.360 4.069 1.00 0.10 C ATOM 852 O LEU A 55 -0.189 -0.773 3.007 1.00 0.10 O ATOM 853 CB LEU A 55 -0.645 -3.768 3.700 1.00 0.12 C ATOM 854 CG LEU A 55 -1.434 -5.017 4.126 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.924 -4.856 3.821 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.881 -6.245 3.382 1.00 0.22 C ATOM 0 H LEU A 55 -2.594 -2.052 2.759 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.349 -2.643 5.410 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.674 -3.675 2.614 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.401 -3.887 3.982 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.320 -5.151 5.202 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.458 -5.754 4.132 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.315 -3.995 4.363 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.062 -4.705 2.750 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.438 -7.133 3.681 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -0.985 -6.097 2.307 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.172 -6.377 3.630 1.00 0.22 H new ATOM 868 N GLU A 56 0.668 -1.098 5.009 1.00 0.12 N ATOM 869 CA GLU A 56 1.721 -0.055 4.817 1.00 0.13 C ATOM 870 C GLU A 56 3.064 -0.774 4.744 1.00 0.13 C ATOM 871 O GLU A 56 3.343 -1.642 5.544 1.00 0.14 O ATOM 872 CB GLU A 56 1.723 0.916 5.993 1.00 0.15 C ATOM 873 CG GLU A 56 2.687 2.067 5.705 1.00 0.17 C ATOM 874 CD GLU A 56 2.793 2.943 6.950 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.528 2.570 7.850 1.00 1.13 O ATOM 876 OE2 GLU A 56 2.129 3.970 6.989 1.00 1.05 O ATOM 0 H GLU A 56 0.695 -1.569 5.914 1.00 0.12 H new ATOM 0 HA GLU A 56 1.532 0.514 3.907 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.718 1.303 6.160 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.021 0.398 6.905 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.668 1.678 5.432 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.331 2.655 4.859 1.00 0.17 H new ATOM 883 N VAL A 57 3.885 -0.454 3.773 1.00 0.12 N ATOM 884 CA VAL A 57 5.205 -1.158 3.636 1.00 0.12 C ATOM 885 C VAL A 57 6.353 -0.137 3.544 1.00 0.11 C ATOM 886 O VAL A 57 6.270 0.847 2.837 1.00 0.13 O ATOM 887 CB VAL A 57 5.180 -2.013 2.367 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.467 -2.826 2.274 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.987 -2.965 2.426 1.00 0.14 C ATOM 0 H VAL A 57 3.701 0.262 3.070 1.00 0.12 H new ATOM 0 HA VAL A 57 5.369 -1.787 4.511 1.00 0.12 H new ATOM 0 HB VAL A 57 5.094 -1.366 1.494 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.448 -3.435 1.370 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.322 -2.151 2.239 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.552 -3.474 3.146 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.965 -3.577 1.524 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.079 -3.610 3.300 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.065 -2.389 2.496 1.00 0.14 H new ATOM 899 N ASP A 58 7.425 -0.378 4.256 1.00 0.10 N ATOM 900 CA ASP A 58 8.601 0.548 4.230 1.00 0.09 C ATOM 901 C ASP A 58 9.651 -0.005 3.273 1.00 0.09 C ATOM 902 O ASP A 58 10.159 -1.090 3.468 1.00 0.09 O ATOM 903 CB ASP A 58 9.216 0.612 5.623 1.00 0.10 C ATOM 904 CG ASP A 58 10.256 1.737 5.673 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.186 2.622 4.836 1.00 1.05 O ATOM 906 OD2 ASP A 58 11.105 1.692 6.549 1.00 1.02 O ATOM 0 H ASP A 58 7.538 -1.189 4.864 1.00 0.10 H new ATOM 0 HA ASP A 58 8.278 1.538 3.910 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.439 0.788 6.367 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.684 -0.341 5.869 1.00 0.10 H new ATOM 911 N VAL A 59 10.012 0.721 2.263 1.00 0.09 N ATOM 912 CA VAL A 59 11.050 0.193 1.341 1.00 0.10 C ATOM 913 C VAL A 59 12.363 0.097 2.101 1.00 0.11 C ATOM 914 O VAL A 59 13.283 -0.583 1.693 1.00 0.12 O ATOM 915 CB VAL A 59 11.232 1.149 0.168 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.918 1.263 -0.598 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.650 2.525 0.686 1.00 0.16 C ATOM 0 H VAL A 59 9.642 1.644 2.035 1.00 0.09 H new ATOM 0 HA VAL A 59 10.747 -0.785 0.968 1.00 0.10 H new ATOM 0 HB VAL A 59 12.007 0.768 -0.497 1.00 0.12 H new ATOM 0 HG11 VAL A 59 10.045 1.946 -1.438 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.627 0.281 -0.970 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.142 1.644 0.066 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.779 3.206 -0.155 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.879 2.913 1.352 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.590 2.438 1.231 1.00 0.16 H new ATOM 927 N ASP A 60 12.472 0.811 3.188 1.00 0.10 N ATOM 928 CA ASP A 60 13.743 0.796 3.966 1.00 0.12 C ATOM 929 C ASP A 60 13.716 -0.260 5.085 1.00 0.13 C ATOM 930 O ASP A 60 14.690 -0.956 5.296 1.00 0.15 O ATOM 931 CB ASP A 60 13.932 2.186 4.569 1.00 0.14 C ATOM 932 CG ASP A 60 14.496 3.132 3.504 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.714 3.648 2.724 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.701 3.316 3.481 1.00 1.07 O ATOM 0 H ASP A 60 11.736 1.404 3.571 1.00 0.10 H new ATOM 0 HA ASP A 60 14.568 0.537 3.303 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.980 2.565 4.941 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.609 2.135 5.421 1.00 0.14 H new ATOM 939 N ASP A 61 12.623 -0.406 5.796 1.00 0.13 N ATOM 940 CA ASP A 61 12.580 -1.437 6.892 1.00 0.15 C ATOM 941 C ASP A 61 11.954 -2.714 6.337 1.00 0.14 C ATOM 942 O ASP A 61 12.073 -3.782 6.905 1.00 0.19 O ATOM 943 CB ASP A 61 11.743 -0.927 8.075 1.00 0.16 C ATOM 944 CG ASP A 61 12.375 0.349 8.635 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.437 0.715 8.161 1.00 1.01 O ATOM 946 OD2 ASP A 61 11.787 0.938 9.527 1.00 1.07 O ATOM 0 H ASP A 61 11.767 0.135 5.671 1.00 0.13 H new ATOM 0 HA ASP A 61 13.593 -1.634 7.244 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.721 -0.728 7.752 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.689 -1.690 8.852 1.00 0.16 H new ATOM 951 N ALA A 62 11.291 -2.596 5.218 1.00 0.11 N ATOM 952 CA ALA A 62 10.640 -3.771 4.569 1.00 0.12 C ATOM 953 C ALA A 62 11.187 -3.880 3.143 1.00 0.11 C ATOM 954 O ALA A 62 10.474 -4.163 2.202 1.00 0.12 O ATOM 955 CB ALA A 62 9.122 -3.562 4.548 1.00 0.14 C ATOM 0 H ALA A 62 11.171 -1.716 4.716 1.00 0.11 H new ATOM 0 HA ALA A 62 10.852 -4.689 5.118 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.643 -4.419 4.074 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.755 -3.460 5.569 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.887 -2.658 3.986 1.00 0.14 H new ATOM 961 N GLN A 63 12.455 -3.626 2.990 1.00 0.11 N ATOM 962 CA GLN A 63 13.085 -3.675 1.643 1.00 0.12 C ATOM 963 C GLN A 63 12.937 -5.070 1.051 1.00 0.12 C ATOM 964 O GLN A 63 13.041 -5.260 -0.141 1.00 0.14 O ATOM 965 CB GLN A 63 14.571 -3.328 1.774 1.00 0.13 C ATOM 966 CG GLN A 63 15.288 -4.428 2.563 1.00 0.15 C ATOM 967 CD GLN A 63 16.689 -3.949 2.951 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.894 -2.779 3.200 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.670 -4.810 3.018 1.00 1.43 N ATOM 0 H GLN A 63 13.090 -3.383 3.751 1.00 0.11 H new ATOM 0 HA GLN A 63 12.594 -2.958 0.985 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.019 -3.224 0.786 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.688 -2.369 2.279 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.718 -4.679 3.457 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.356 -5.335 1.963 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.500 -5.794 2.809 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.605 -4.498 3.279 1.00 1.43 H new ATOM 978 N ASP A 64 12.695 -6.050 1.867 1.00 0.13 N ATOM 979 CA ASP A 64 12.539 -7.426 1.337 1.00 0.13 C ATOM 980 C ASP A 64 11.294 -7.477 0.453 1.00 0.15 C ATOM 981 O ASP A 64 11.271 -8.146 -0.560 1.00 0.16 O ATOM 982 CB ASP A 64 12.397 -8.400 2.506 1.00 0.17 C ATOM 983 CG ASP A 64 11.320 -7.895 3.459 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.192 -7.742 3.018 1.00 1.02 O ATOM 985 OD2 ASP A 64 11.642 -7.660 4.608 1.00 1.05 O ATOM 0 H ASP A 64 12.598 -5.958 2.878 1.00 0.13 H new ATOM 0 HA ASP A 64 13.411 -7.706 0.746 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.136 -9.392 2.137 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.347 -8.495 3.031 1.00 0.17 H new ATOM 990 N VAL A 65 10.261 -6.764 0.817 1.00 0.17 N ATOM 991 CA VAL A 65 9.032 -6.768 -0.017 1.00 0.22 C ATOM 992 C VAL A 65 9.308 -5.966 -1.286 1.00 0.22 C ATOM 993 O VAL A 65 8.914 -6.336 -2.375 1.00 0.26 O ATOM 994 CB VAL A 65 7.874 -6.095 0.734 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.567 -6.332 -0.029 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.757 -6.668 2.154 1.00 0.32 C ATOM 0 H VAL A 65 10.219 -6.182 1.654 1.00 0.17 H new ATOM 0 HA VAL A 65 8.761 -7.798 -0.251 1.00 0.22 H new ATOM 0 HB VAL A 65 8.068 -5.025 0.803 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.744 -5.855 0.503 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.648 -5.907 -1.030 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.378 -7.403 -0.104 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.932 -6.182 2.676 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.570 -7.741 2.099 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.685 -6.488 2.696 1.00 0.32 H new ATOM 1006 N ALA A 66 9.969 -4.852 -1.141 1.00 0.19 N ATOM 1007 CA ALA A 66 10.264 -3.995 -2.320 1.00 0.22 C ATOM 1008 C ALA A 66 11.257 -4.686 -3.250 1.00 0.23 C ATOM 1009 O ALA A 66 11.146 -4.604 -4.455 1.00 0.26 O ATOM 1010 CB ALA A 66 10.864 -2.669 -1.852 1.00 0.25 C ATOM 0 H ALA A 66 10.319 -4.497 -0.251 1.00 0.19 H new ATOM 0 HA ALA A 66 9.334 -3.817 -2.859 1.00 0.22 H new ATOM 0 HB1 ALA A 66 11.080 -2.042 -2.717 1.00 0.25 H new ATOM 0 HB2 ALA A 66 10.154 -2.158 -1.201 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.786 -2.860 -1.304 1.00 0.25 H new ATOM 1016 N SER A 67 12.250 -5.331 -2.713 1.00 0.21 N ATOM 1017 CA SER A 67 13.248 -5.980 -3.605 1.00 0.23 C ATOM 1018 C SER A 67 12.549 -7.021 -4.486 1.00 0.23 C ATOM 1019 O SER A 67 12.834 -7.141 -5.659 1.00 0.24 O ATOM 1020 CB SER A 67 14.310 -6.670 -2.758 1.00 0.23 C ATOM 1021 OG SER A 67 13.709 -7.725 -2.018 1.00 0.22 O ATOM 0 H SER A 67 12.414 -5.437 -1.712 1.00 0.21 H new ATOM 0 HA SER A 67 13.715 -5.224 -4.236 1.00 0.23 H new ATOM 0 HB2 SER A 67 15.102 -7.063 -3.396 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.773 -5.953 -2.080 1.00 0.23 H new ATOM 0 HG SER A 67 12.840 -7.430 -1.675 1.00 0.22 H new ATOM 1027 N GLU A 68 11.627 -7.760 -3.936 1.00 0.23 N ATOM 1028 CA GLU A 68 10.907 -8.781 -4.748 1.00 0.25 C ATOM 1029 C GLU A 68 10.064 -8.074 -5.812 1.00 0.22 C ATOM 1030 O GLU A 68 9.953 -8.528 -6.935 1.00 0.24 O ATOM 1031 CB GLU A 68 10.020 -9.630 -3.824 1.00 0.29 C ATOM 1032 CG GLU A 68 9.383 -10.795 -4.597 1.00 0.32 C ATOM 1033 CD GLU A 68 8.291 -10.276 -5.536 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.736 -9.231 -5.246 1.00 2.06 O ATOM 1035 OE2 GLU A 68 8.028 -10.937 -6.529 1.00 1.96 O ATOM 0 H GLU A 68 11.340 -7.702 -2.959 1.00 0.23 H new ATOM 0 HA GLU A 68 11.620 -9.438 -5.246 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.615 -10.019 -2.998 1.00 0.29 H new ATOM 0 HB3 GLU A 68 9.239 -9.006 -3.389 1.00 0.29 H new ATOM 0 HG2 GLU A 68 10.146 -11.320 -5.171 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.959 -11.515 -3.898 1.00 0.32 H new ATOM 1042 N ALA A 69 9.451 -6.973 -5.464 1.00 0.20 N ATOM 1043 CA ALA A 69 8.602 -6.245 -6.452 1.00 0.20 C ATOM 1044 C ALA A 69 9.457 -5.312 -7.320 1.00 0.19 C ATOM 1045 O ALA A 69 8.960 -4.695 -8.242 1.00 0.20 O ATOM 1046 CB ALA A 69 7.549 -5.426 -5.698 1.00 0.23 C ATOM 0 H ALA A 69 9.502 -6.547 -4.539 1.00 0.20 H new ATOM 0 HA ALA A 69 8.116 -6.970 -7.104 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.924 -4.891 -6.413 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.927 -6.094 -5.101 1.00 0.23 H new ATOM 0 HB3 ALA A 69 8.045 -4.710 -5.043 1.00 0.23 H new ATOM 1052 N GLU A 70 10.732 -5.197 -7.045 1.00 0.18 N ATOM 1053 CA GLU A 70 11.590 -4.296 -7.877 1.00 0.18 C ATOM 1054 C GLU A 70 10.982 -2.901 -7.925 1.00 0.17 C ATOM 1055 O GLU A 70 10.822 -2.328 -8.983 1.00 0.18 O ATOM 1056 CB GLU A 70 11.712 -4.809 -9.315 1.00 0.22 C ATOM 1057 CG GLU A 70 12.370 -6.182 -9.336 1.00 0.24 C ATOM 1058 CD GLU A 70 13.812 -6.066 -8.838 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.387 -5.000 -8.989 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.320 -7.044 -8.316 1.00 2.02 O ATOM 0 H GLU A 70 11.213 -5.683 -6.288 1.00 0.18 H new ATOM 0 HA GLU A 70 12.578 -4.273 -7.418 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.724 -4.865 -9.773 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.299 -4.108 -9.909 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.811 -6.874 -8.706 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.355 -6.588 -10.347 1.00 0.24 H new ATOM 1067 N VAL A 71 10.637 -2.337 -6.807 1.00 0.15 N ATOM 1068 CA VAL A 71 10.034 -0.981 -6.856 1.00 0.14 C ATOM 1069 C VAL A 71 11.082 -0.008 -7.382 1.00 0.14 C ATOM 1070 O VAL A 71 12.214 0.010 -6.934 1.00 0.16 O ATOM 1071 CB VAL A 71 9.598 -0.552 -5.457 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.897 0.802 -5.552 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.621 -1.589 -4.888 1.00 0.15 C ATOM 0 H VAL A 71 10.743 -2.745 -5.878 1.00 0.15 H new ATOM 0 HA VAL A 71 9.161 -0.988 -7.508 1.00 0.14 H new ATOM 0 HB VAL A 71 10.468 -0.476 -4.805 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.581 1.119 -4.558 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.585 1.539 -5.966 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.025 0.715 -6.200 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.308 -1.285 -3.889 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.747 -1.660 -5.536 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.112 -2.561 -4.834 1.00 0.15 H new ATOM 1083 N LYS A 72 10.718 0.786 -8.356 1.00 0.15 N ATOM 1084 CA LYS A 72 11.685 1.750 -8.949 1.00 0.16 C ATOM 1085 C LYS A 72 11.417 3.174 -8.435 1.00 0.15 C ATOM 1086 O LYS A 72 12.217 4.066 -8.639 1.00 0.16 O ATOM 1087 CB LYS A 72 11.547 1.718 -10.474 1.00 0.19 C ATOM 1088 CG LYS A 72 11.866 0.308 -11.023 1.00 0.23 C ATOM 1089 CD LYS A 72 13.377 0.034 -10.961 1.00 0.74 C ATOM 1090 CE LYS A 72 13.712 -1.167 -11.853 1.00 0.88 C ATOM 1091 NZ LYS A 72 12.949 -2.360 -11.389 1.00 1.60 N ATOM 0 H LYS A 72 9.785 0.806 -8.767 1.00 0.15 H new ATOM 0 HA LYS A 72 12.696 1.465 -8.658 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.534 2.004 -10.758 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.222 2.449 -10.920 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.330 -0.444 -10.444 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.518 0.225 -12.052 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.931 0.913 -11.291 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.680 -0.166 -9.933 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.463 -0.944 -12.890 1.00 0.88 H new ATOM 0 HE3 LYS A 72 14.782 -1.371 -11.819 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.588 -3.179 -11.329 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 12.542 -2.169 -10.451 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 12.184 -2.566 -12.063 1.00 1.60 H new ATOM 1105 N ALA A 73 10.312 3.408 -7.770 1.00 0.13 N ATOM 1106 CA ALA A 73 10.049 4.791 -7.262 1.00 0.13 C ATOM 1107 C ALA A 73 8.988 4.766 -6.148 1.00 0.11 C ATOM 1108 O ALA A 73 8.165 3.884 -6.086 1.00 0.12 O ATOM 1109 CB ALA A 73 9.569 5.672 -8.426 1.00 0.14 C ATOM 0 H ALA A 73 9.593 2.716 -7.560 1.00 0.13 H new ATOM 0 HA ALA A 73 10.970 5.200 -6.846 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.375 6.681 -8.063 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.338 5.705 -9.198 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.653 5.255 -8.844 1.00 0.14 H new ATOM 1115 N THR A 74 8.997 5.763 -5.289 1.00 0.11 N ATOM 1116 CA THR A 74 7.989 5.847 -4.180 1.00 0.11 C ATOM 1117 C THR A 74 7.362 7.254 -4.207 1.00 0.12 C ATOM 1118 O THR A 74 8.007 8.191 -4.623 1.00 0.15 O ATOM 1119 CB THR A 74 8.700 5.649 -2.823 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.517 6.773 -2.550 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.557 4.388 -2.850 1.00 0.14 C ATOM 0 H THR A 74 9.668 6.531 -5.311 1.00 0.11 H new ATOM 0 HA THR A 74 7.226 5.079 -4.309 1.00 0.11 H new ATOM 0 HB THR A 74 7.947 5.544 -2.042 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.967 6.649 -1.688 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.051 4.263 -1.886 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.925 3.523 -3.048 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.309 4.476 -3.634 1.00 0.14 H new ATOM 1129 N PRO A 75 6.143 7.434 -3.729 1.00 0.13 N ATOM 1130 CA PRO A 75 5.294 6.331 -3.199 1.00 0.10 C ATOM 1131 C PRO A 75 4.674 5.477 -4.310 1.00 0.09 C ATOM 1132 O PRO A 75 4.267 5.976 -5.342 1.00 0.10 O ATOM 1133 CB PRO A 75 4.219 7.107 -2.416 1.00 0.12 C ATOM 1134 CG PRO A 75 4.201 8.547 -2.954 1.00 0.15 C ATOM 1135 CD PRO A 75 5.529 8.793 -3.697 1.00 0.16 C ATOM 0 HA PRO A 75 5.852 5.611 -2.600 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.242 6.639 -2.541 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.442 7.100 -1.349 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.355 8.692 -3.626 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.084 9.258 -2.136 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.365 9.187 -4.700 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.160 9.510 -3.172 1.00 0.16 H new ATOM 1143 N THR A 76 4.571 4.195 -4.079 1.00 0.09 N ATOM 1144 CA THR A 76 3.951 3.274 -5.079 1.00 0.09 C ATOM 1145 C THR A 76 2.873 2.463 -4.375 1.00 0.10 C ATOM 1146 O THR A 76 3.071 1.971 -3.283 1.00 0.12 O ATOM 1147 CB THR A 76 4.995 2.316 -5.657 1.00 0.10 C ATOM 1148 OG1 THR A 76 6.022 3.061 -6.286 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.330 1.397 -6.686 1.00 0.13 C ATOM 0 H THR A 76 4.895 3.739 -3.226 1.00 0.09 H new ATOM 0 HA THR A 76 3.530 3.861 -5.895 1.00 0.09 H new ATOM 0 HB THR A 76 5.421 1.715 -4.853 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.769 3.179 -5.663 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.073 0.714 -7.098 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.538 0.824 -6.204 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.905 1.998 -7.490 1.00 0.13 H new ATOM 1157 N PHE A 77 1.733 2.332 -4.985 1.00 0.10 N ATOM 1158 CA PHE A 77 0.618 1.554 -4.366 1.00 0.10 C ATOM 1159 C PHE A 77 0.360 0.302 -5.205 1.00 0.10 C ATOM 1160 O PHE A 77 0.227 0.370 -6.409 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.638 2.425 -4.346 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.363 3.663 -3.526 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.513 3.639 -2.131 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.052 4.835 -4.165 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.244 4.794 -1.381 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.318 5.988 -3.415 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.170 5.967 -2.023 1.00 0.19 C ATOM 0 H PHE A 77 1.519 2.734 -5.898 1.00 0.10 H new ATOM 0 HA PHE A 77 0.879 1.263 -3.349 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.921 2.701 -5.362 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.475 1.870 -3.921 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.834 2.734 -1.636 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.168 4.852 -5.239 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.357 4.778 -0.307 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.637 6.893 -3.911 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.375 6.856 -1.445 1.00 0.19 H new ATOM 1177 N GLN A 78 0.263 -0.843 -4.573 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.008 -2.108 -5.322 1.00 0.09 C ATOM 1179 C GLN A 78 -1.297 -2.704 -4.797 1.00 0.08 C ATOM 1180 O GLN A 78 -1.585 -2.653 -3.616 1.00 0.09 O ATOM 1181 CB GLN A 78 1.129 -3.112 -5.115 1.00 0.09 C ATOM 1182 CG GLN A 78 2.391 -2.630 -5.836 1.00 0.12 C ATOM 1183 CD GLN A 78 3.438 -3.750 -5.834 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.096 -4.914 -5.755 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.707 -3.447 -5.911 1.00 0.29 N ATOM 0 H GLN A 78 0.361 -0.955 -3.564 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.087 -1.888 -6.387 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.331 -3.231 -4.051 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.835 -4.091 -5.494 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.151 -2.343 -6.860 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.789 -1.744 -5.342 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.995 -2.471 -5.977 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.409 -4.187 -5.905 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.082 -3.259 -5.670 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.381 -3.858 -5.253 1.00 0.07 C ATOM 1196 C PHE A 79 -3.306 -5.373 -5.320 1.00 0.07 C ATOM 1197 O PHE A 79 -2.824 -5.941 -6.276 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.468 -3.340 -6.186 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.632 -1.866 -5.922 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.755 -0.947 -6.509 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.639 -1.422 -5.061 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.891 0.417 -6.238 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.771 -0.060 -4.787 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.899 0.861 -5.375 1.00 0.12 C ATOM 0 H PHE A 79 -1.880 -3.326 -6.667 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.609 -3.577 -4.225 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.194 -3.514 -7.227 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.406 -3.867 -6.011 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.974 -1.292 -7.171 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.315 -2.132 -4.608 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.218 1.128 -6.694 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.548 0.283 -4.120 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.003 1.915 -5.163 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.796 -6.024 -4.298 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.788 -7.511 -4.252 1.00 0.08 C ATOM 1216 C PHE A 80 -5.193 -8.010 -3.927 1.00 0.09 C ATOM 1217 O PHE A 80 -5.929 -7.377 -3.198 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.813 -7.986 -3.173 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.385 -7.771 -3.621 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.735 -6.554 -3.370 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.703 -8.805 -4.278 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.591 -6.377 -3.778 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.625 -8.624 -4.682 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.271 -7.409 -4.432 1.00 0.15 C ATOM 0 H PHE A 80 -4.208 -5.577 -3.479 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.474 -7.905 -5.218 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.995 -7.444 -2.245 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.980 -9.042 -2.963 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.257 -5.756 -2.863 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.203 -9.742 -4.473 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.092 -5.439 -3.587 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.150 -9.422 -5.186 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.295 -7.268 -4.744 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.574 -9.145 -4.449 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.933 -9.682 -4.150 1.00 0.12 C ATOM 1236 C LYS A 81 -6.853 -11.207 -4.197 1.00 0.11 C ATOM 1237 O LYS A 81 -6.392 -11.772 -5.166 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.920 -9.172 -5.202 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.347 -9.367 -4.700 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.324 -9.005 -5.811 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.731 -8.894 -5.234 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.676 -8.552 -6.330 1.00 1.68 N ATOM 0 H LYS A 81 -5.005 -9.722 -5.068 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.274 -9.356 -3.167 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.736 -8.117 -5.407 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.777 -9.708 -6.140 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.498 -10.401 -4.390 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.526 -8.742 -3.825 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -10.033 -8.061 -6.273 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.299 -9.764 -6.593 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -12.022 -9.834 -4.766 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.761 -8.129 -4.458 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.639 -8.474 -5.946 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.399 -7.645 -6.757 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.652 -9.297 -7.055 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.261 -11.874 -3.151 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.165 -13.368 -3.131 1.00 0.13 C ATOM 1258 C LYS A 82 -5.687 -13.745 -3.298 1.00 0.13 C ATOM 1259 O LYS A 82 -5.356 -14.781 -3.841 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.996 -14.004 -4.267 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.487 -13.717 -4.064 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.316 -14.645 -4.962 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.788 -14.224 -4.922 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.600 -15.152 -5.764 1.00 1.22 N ATOM 0 H LYS A 82 -7.656 -11.453 -2.310 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.562 -13.742 -2.188 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.671 -13.608 -5.229 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.826 -15.080 -4.291 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.758 -13.868 -3.019 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.703 -12.675 -4.302 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.944 -14.604 -5.986 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.214 -15.677 -4.627 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.152 -14.237 -3.895 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.894 -13.202 -5.285 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.599 -14.863 -5.735 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.259 -15.118 -6.746 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.509 -16.122 -5.399 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.796 -12.903 -2.830 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.339 -13.198 -2.948 1.00 0.16 C ATOM 1280 C GLY A 83 -2.877 -12.946 -4.381 1.00 0.16 C ATOM 1281 O GLY A 83 -1.813 -13.378 -4.773 1.00 0.23 O ATOM 0 H GLY A 83 -5.020 -12.021 -2.370 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.774 -12.571 -2.258 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.144 -14.234 -2.670 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.673 -12.258 -5.170 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.288 -11.994 -6.600 1.00 0.15 C ATOM 1287 C GLN A 84 -3.120 -10.496 -6.852 1.00 0.12 C ATOM 1288 O GLN A 84 -3.946 -9.703 -6.471 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.405 -12.495 -7.520 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.664 -13.990 -7.303 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.446 -14.816 -7.719 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -3.476 -15.506 -8.718 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.374 -14.784 -6.985 1.00 2.07 N ATOM 0 H GLN A 84 -4.572 -11.868 -4.887 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.347 -12.507 -6.799 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.319 -11.932 -7.329 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.132 -12.316 -8.560 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.894 -14.176 -6.254 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.535 -14.301 -7.880 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.348 -14.205 -6.146 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.559 -15.338 -7.248 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.076 -10.115 -7.543 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.861 -8.669 -7.861 1.00 0.12 C ATOM 1304 C LYS A 85 -2.763 -8.286 -9.033 1.00 0.14 C ATOM 1305 O LYS A 85 -2.718 -8.903 -10.078 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.400 -8.465 -8.259 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.132 -6.981 -8.493 1.00 0.20 C ATOM 1308 CD LYS A 85 1.303 -6.795 -8.982 1.00 0.28 C ATOM 1309 CE LYS A 85 1.598 -5.301 -9.102 1.00 1.28 C ATOM 1310 NZ LYS A 85 0.793 -4.724 -10.214 1.00 1.82 N ATOM 0 H LYS A 85 -1.359 -10.746 -7.903 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.097 -8.050 -6.995 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.256 -8.844 -7.476 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.177 -9.032 -9.163 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.833 -6.585 -9.228 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.289 -6.422 -7.570 1.00 0.20 H new ATOM 0 HD2 LYS A 85 2.001 -7.262 -8.287 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.438 -7.284 -9.947 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.359 -4.796 -8.166 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.660 -5.143 -9.288 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 1.381 -4.063 -10.762 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 0.461 -5.489 -10.835 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 -0.026 -4.216 -9.823 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.599 -7.285 -8.862 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.526 -6.872 -9.964 1.00 0.18 C ATOM 1326 C VAL A 86 -4.349 -5.389 -10.320 1.00 0.17 C ATOM 1327 O VAL A 86 -5.117 -4.846 -11.090 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.970 -7.132 -9.524 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.186 -8.637 -9.320 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.244 -6.403 -8.207 1.00 0.26 C ATOM 0 H VAL A 86 -3.678 -6.737 -8.005 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.291 -7.457 -10.853 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.649 -6.767 -10.294 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.214 -8.818 -9.007 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.994 -9.162 -10.256 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.504 -9.002 -8.552 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.272 -6.589 -7.895 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.561 -6.768 -7.440 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.095 -5.332 -8.346 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.367 -4.713 -9.780 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.211 -3.268 -10.144 1.00 0.17 C ATOM 1342 C GLY A 87 -2.017 -2.634 -9.426 1.00 0.12 C ATOM 1343 O GLY A 87 -1.595 -3.077 -8.380 1.00 0.17 O ATOM 0 H GLY A 87 -2.683 -5.084 -9.121 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.080 -3.176 -11.222 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.121 -2.727 -9.886 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.491 -1.580 -9.991 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.340 -0.864 -9.368 1.00 0.13 C ATOM 1349 C GLU A 88 -0.186 0.504 -10.017 1.00 0.11 C ATOM 1350 O GLU A 88 -0.461 0.689 -11.186 1.00 0.14 O ATOM 1351 CB GLU A 88 0.964 -1.669 -9.534 1.00 0.21 C ATOM 1352 CG GLU A 88 2.175 -0.815 -9.114 1.00 0.58 C ATOM 1353 CD GLU A 88 3.436 -1.679 -9.100 1.00 1.13 C ATOM 1354 OE1 GLU A 88 3.321 -2.866 -9.352 1.00 1.93 O ATOM 1355 OE2 GLU A 88 4.498 -1.137 -8.835 1.00 1.87 O ATOM 0 H GLU A 88 -1.815 -1.179 -10.871 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.537 -0.748 -8.302 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.921 -2.574 -8.928 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.075 -1.985 -10.571 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.301 0.018 -9.805 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.005 -0.387 -8.126 1.00 0.58 H new ATOM 1362 N PHE A 89 0.287 1.458 -9.271 1.00 0.10 N ATOM 1363 CA PHE A 89 0.501 2.811 -9.854 1.00 0.09 C ATOM 1364 C PHE A 89 1.412 3.629 -8.941 1.00 0.10 C ATOM 1365 O PHE A 89 1.580 3.324 -7.778 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.847 3.517 -10.069 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.398 4.076 -8.774 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.886 5.268 -8.256 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.435 3.411 -8.109 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.413 5.803 -7.072 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.958 3.941 -6.921 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.449 5.139 -6.404 1.00 0.14 C ATOM 0 H PHE A 89 0.535 1.362 -8.286 1.00 0.10 H new ATOM 0 HA PHE A 89 0.986 2.713 -10.825 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.724 4.324 -10.791 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.562 2.814 -10.496 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.083 5.778 -8.768 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.832 2.490 -8.511 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.020 6.727 -6.675 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.754 3.425 -6.404 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.855 5.550 -5.491 1.00 0.14 H new ATOM 1382 N SER A 90 2.024 4.650 -9.480 1.00 0.10 N ATOM 1383 CA SER A 90 2.959 5.500 -8.686 1.00 0.10 C ATOM 1384 C SER A 90 2.565 6.960 -8.813 1.00 0.09 C ATOM 1385 O SER A 90 1.870 7.354 -9.727 1.00 0.11 O ATOM 1386 CB SER A 90 4.382 5.336 -9.215 1.00 0.11 C ATOM 1387 OG SER A 90 4.422 5.740 -10.579 1.00 0.12 O ATOM 0 H SER A 90 1.913 4.935 -10.453 1.00 0.10 H new ATOM 0 HA SER A 90 2.909 5.191 -7.642 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.074 5.937 -8.625 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.701 4.298 -9.121 1.00 0.11 H new ATOM 0 HG SER A 90 5.334 5.639 -10.924 1.00 0.12 H new ATOM 1393 N GLY A 91 3.022 7.765 -7.896 1.00 0.09 N ATOM 1394 CA GLY A 91 2.710 9.221 -7.927 1.00 0.09 C ATOM 1395 C GLY A 91 2.042 9.618 -6.615 1.00 0.10 C ATOM 1396 O GLY A 91 1.227 8.891 -6.077 1.00 0.12 O ATOM 0 H GLY A 91 3.608 7.471 -7.114 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.623 9.798 -8.073 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.053 9.447 -8.767 1.00 0.09 H new ATOM 1400 N ALA A 92 2.373 10.766 -6.092 1.00 0.11 N ATOM 1401 CA ALA A 92 1.744 11.195 -4.818 1.00 0.14 C ATOM 1402 C ALA A 92 0.317 11.675 -5.099 1.00 0.13 C ATOM 1403 O ALA A 92 0.005 12.838 -4.948 1.00 0.17 O ATOM 1404 CB ALA A 92 2.552 12.350 -4.223 1.00 0.18 C ATOM 0 H ALA A 92 3.047 11.420 -6.490 1.00 0.11 H new ATOM 0 HA ALA A 92 1.722 10.360 -4.118 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.095 12.670 -3.287 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.573 12.020 -4.034 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.564 13.185 -4.924 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.556 10.774 -5.493 1.00 0.12 N ATOM 1411 CA ASN A 93 -1.984 11.144 -5.768 1.00 0.14 C ATOM 1412 C ASN A 93 -2.888 10.326 -4.837 1.00 0.13 C ATOM 1413 O ASN A 93 -3.233 9.201 -5.127 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.326 10.840 -7.234 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.697 11.435 -7.575 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.204 11.238 -8.664 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.323 12.155 -6.686 1.00 0.75 N ATOM 0 H ASN A 93 -0.337 9.788 -5.637 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.136 12.208 -5.589 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.563 11.258 -7.890 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.334 9.763 -7.401 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.237 12.553 -6.903 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.899 12.321 -5.773 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.265 10.880 -3.717 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.134 10.129 -2.757 1.00 0.15 C ATOM 1426 C LYS A 94 -5.537 9.904 -3.331 1.00 0.15 C ATOM 1427 O LYS A 94 -6.150 8.883 -3.098 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.245 10.943 -1.466 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.630 12.416 -1.781 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.447 13.346 -1.482 1.00 0.24 C ATOM 1431 CE LYS A 94 -3.901 14.795 -1.598 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.794 15.697 -1.168 1.00 1.06 N ATOM 0 H LYS A 94 -3.010 11.822 -3.422 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.686 9.154 -2.568 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.994 10.497 -0.812 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.297 10.916 -0.930 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -4.920 12.508 -2.828 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.493 12.710 -1.184 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.062 13.153 -0.481 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.632 13.152 -2.179 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.187 15.017 -2.626 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.782 14.962 -0.979 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.103 16.687 -1.247 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.542 15.490 -0.180 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -1.965 15.543 -1.777 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.043 10.832 -4.083 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.399 10.663 -4.664 1.00 0.15 C ATOM 1448 C GLU A 95 -7.401 9.457 -5.611 1.00 0.15 C ATOM 1449 O GLU A 95 -8.411 8.814 -5.816 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.765 11.930 -5.433 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.757 13.125 -4.477 1.00 0.19 C ATOM 1452 CD GLU A 95 -8.835 12.943 -3.406 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.836 12.312 -3.700 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -8.637 13.432 -2.305 1.00 1.55 O ATOM 0 H GLU A 95 -5.575 11.706 -4.323 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.128 10.492 -3.872 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.055 12.094 -6.244 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.749 11.821 -5.888 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.778 13.219 -4.007 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.935 14.046 -5.031 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.279 9.162 -6.202 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.201 8.015 -7.148 1.00 0.15 C ATOM 1463 C LYS A 96 -6.532 6.730 -6.393 1.00 0.14 C ATOM 1464 O LYS A 96 -7.136 5.820 -6.921 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.780 7.939 -7.703 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.720 7.002 -8.918 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.421 7.262 -9.692 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.303 6.264 -10.851 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.162 6.647 -11.730 1.00 1.45 N ATOM 0 H LYS A 96 -5.405 9.670 -6.069 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.908 8.144 -7.968 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.442 8.935 -7.989 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.101 7.582 -6.929 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.762 5.962 -8.593 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.582 7.169 -9.564 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.412 8.282 -10.075 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.564 7.164 -9.026 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.153 5.257 -10.462 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.229 6.249 -11.426 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.085 5.968 -12.514 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.323 7.601 -12.112 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.281 6.639 -11.178 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.145 6.658 -5.151 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.443 5.444 -4.350 1.00 0.13 C ATOM 1485 C LEU A 97 -7.950 5.261 -4.308 1.00 0.14 C ATOM 1486 O LEU A 97 -8.466 4.164 -4.355 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.961 5.654 -2.910 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.438 5.547 -2.822 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.987 6.068 -1.451 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.996 4.079 -2.989 1.00 0.19 C ATOM 0 H LEU A 97 -5.634 7.390 -4.657 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.948 4.580 -4.793 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.282 6.633 -2.554 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.420 4.912 -2.257 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.984 6.139 -3.617 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.902 5.998 -1.374 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.292 7.108 -1.339 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.446 5.469 -0.665 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.910 4.016 -2.924 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.442 3.473 -2.200 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.324 3.709 -3.960 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.653 6.343 -4.197 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.138 6.257 -4.113 1.00 0.15 C ATOM 1504 C GLU A 98 -10.712 5.663 -5.398 1.00 0.16 C ATOM 1505 O GLU A 98 -11.606 4.842 -5.361 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.723 7.659 -3.888 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.246 7.567 -3.725 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.834 8.971 -3.581 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.066 9.917 -3.563 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.047 9.075 -3.489 1.00 2.00 O ATOM 0 H GLU A 98 -8.269 7.287 -4.160 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.405 5.610 -3.278 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.280 8.110 -3.000 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.477 8.305 -4.730 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.684 7.065 -4.588 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.492 6.967 -2.849 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.230 6.080 -6.530 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.789 5.546 -7.806 1.00 0.17 C ATOM 1519 C ALA A 99 -10.444 4.065 -7.983 1.00 0.16 C ATOM 1520 O ALA A 99 -11.272 3.273 -8.382 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.232 6.347 -8.983 1.00 0.19 C ATOM 0 H ALA A 99 -9.479 6.762 -6.632 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.874 5.642 -7.772 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.641 5.956 -9.915 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.512 7.395 -8.875 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.145 6.262 -8.999 1.00 0.19 H new ATOM 1527 N THR A 100 -9.231 3.685 -7.712 1.00 0.16 N ATOM 1528 CA THR A 100 -8.850 2.259 -7.897 1.00 0.16 C ATOM 1529 C THR A 100 -9.620 1.361 -6.921 1.00 0.15 C ATOM 1530 O THR A 100 -10.059 0.281 -7.273 1.00 0.15 O ATOM 1531 CB THR A 100 -7.354 2.104 -7.659 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.652 3.067 -8.435 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.933 0.699 -8.078 1.00 0.20 C ATOM 0 H THR A 100 -8.488 4.296 -7.372 1.00 0.16 H new ATOM 0 HA THR A 100 -9.099 1.958 -8.915 1.00 0.16 H new ATOM 0 HB THR A 100 -7.124 2.257 -6.605 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.661 3.930 -7.971 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.863 0.575 -7.912 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.479 -0.036 -7.487 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.156 0.552 -9.135 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.800 1.797 -5.704 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.553 0.964 -4.715 1.00 0.13 C ATOM 1543 C ILE A 101 -11.972 0.776 -5.232 1.00 0.14 C ATOM 1544 O ILE A 101 -12.484 -0.318 -5.296 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.584 1.698 -3.368 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.174 1.697 -2.755 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.560 1.000 -2.415 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.071 2.792 -1.688 1.00 0.16 C ATOM 0 H ILE A 101 -9.460 2.691 -5.350 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.075 -0.007 -4.584 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.914 2.725 -3.525 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.961 0.724 -2.312 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.429 1.863 -3.533 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.576 1.527 -1.461 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.560 1.005 -2.850 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.239 -0.029 -2.255 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.070 2.787 -1.257 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.265 3.763 -2.143 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.805 2.606 -0.904 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.594 1.844 -5.637 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.967 1.748 -6.187 1.00 0.20 C ATOM 1562 C ASN A 102 -13.925 0.849 -7.418 1.00 0.19 C ATOM 1563 O ASN A 102 -14.855 0.132 -7.717 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.452 3.145 -6.592 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.891 3.064 -7.107 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.168 2.368 -8.064 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.820 3.774 -6.526 1.00 0.55 N ATOM 0 H ASN A 102 -12.205 2.787 -5.610 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.646 1.336 -5.441 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.399 3.820 -5.738 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.802 3.556 -7.364 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.778 3.744 -6.875 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.588 4.358 -5.723 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.853 0.914 -8.151 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.738 0.101 -9.385 1.00 0.18 C ATOM 1576 C GLU A 103 -12.646 -1.393 -9.042 1.00 0.16 C ATOM 1577 O GLU A 103 -13.209 -2.227 -9.724 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.467 0.517 -10.128 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.475 -0.120 -11.520 1.00 0.21 C ATOM 1580 CD GLU A 103 -10.168 0.198 -12.247 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -9.452 1.074 -11.790 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -9.906 -0.444 -13.250 1.00 2.04 O ATOM 0 H GLU A 103 -12.045 1.501 -7.945 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.620 0.266 -10.004 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.417 1.603 -10.211 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.585 0.199 -9.573 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -11.600 -1.199 -11.434 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.322 0.254 -12.096 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.922 -1.739 -8.005 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.769 -3.183 -7.632 1.00 0.14 C ATOM 1591 C LEU A 104 -12.694 -3.558 -6.465 1.00 0.13 C ATOM 1592 O LEU A 104 -12.695 -4.688 -6.015 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.318 -3.435 -7.216 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.367 -3.106 -8.377 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.918 -3.233 -7.890 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.607 -4.071 -9.554 1.00 0.25 C ATOM 0 H LEU A 104 -11.429 -1.083 -7.399 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.037 -3.793 -8.494 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.070 -2.823 -6.349 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.193 -4.476 -6.918 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.554 -2.088 -8.718 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.237 -3.001 -8.709 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.748 -2.537 -7.068 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.738 -4.251 -7.546 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.926 -3.826 -10.370 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.428 -5.095 -9.227 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.636 -3.975 -9.899 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.472 -2.639 -5.956 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.368 -2.996 -4.811 1.00 0.15 C ATOM 1610 C VAL A 105 -15.420 -3.997 -5.295 1.00 0.16 C ATOM 1611 O VAL A 105 -15.865 -4.797 -4.488 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.072 -1.745 -4.256 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.151 -1.260 -5.238 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.725 -2.089 -2.913 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.763 -3.942 -6.464 1.00 1.08 O ATOM 0 H VAL A 105 -13.528 -1.672 -6.275 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.765 -3.435 -4.016 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.336 -0.953 -4.121 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.641 -0.375 -4.832 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.689 -1.013 -6.194 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.890 -2.048 -5.385 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.225 -1.206 -2.515 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.455 -2.886 -3.057 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.960 -2.420 -2.211 1.00 0.19 H new ATOM 1683 N LYS B 63 7.112 14.974 -6.193 1.00 0.19 N ATOM 1684 CA LYS B 63 5.939 14.076 -5.965 1.00 0.14 C ATOM 1685 C LYS B 63 6.437 12.630 -5.850 1.00 0.12 C ATOM 1686 O LYS B 63 5.728 11.758 -5.389 1.00 0.12 O ATOM 1687 CB LYS B 63 4.972 14.197 -7.155 1.00 0.17 C ATOM 1688 CG LYS B 63 4.464 15.647 -7.297 1.00 0.20 C ATOM 1689 CD LYS B 63 3.814 16.127 -5.988 1.00 0.40 C ATOM 1690 CE LYS B 63 2.822 17.266 -6.268 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.610 16.728 -6.952 1.00 1.31 N ATOM 0 HA LYS B 63 5.421 14.360 -5.049 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.475 13.891 -8.072 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.128 13.522 -7.014 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.293 16.304 -7.559 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.741 15.706 -8.111 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.298 15.297 -5.505 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.584 16.469 -5.296 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.538 17.750 -5.334 1.00 0.35 H new ATOM 0 HE3 LYS B 63 3.294 18.026 -6.890 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.804 17.363 -6.782 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.789 16.662 -7.974 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.391 15.783 -6.577 1.00 1.31 H new ATOM 1705 N ILE B 64 7.649 12.381 -6.286 1.00 0.11 N ATOM 1706 CA ILE B 64 8.249 11.003 -6.224 1.00 0.11 C ATOM 1707 C ILE B 64 9.606 11.069 -5.500 1.00 0.10 C ATOM 1708 O ILE B 64 10.383 11.975 -5.727 1.00 0.11 O ATOM 1709 CB ILE B 64 8.493 10.485 -7.652 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.159 10.245 -8.372 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.300 9.180 -7.617 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.283 9.244 -7.598 1.00 0.15 C ATOM 0 H ILE B 64 8.263 13.088 -6.691 1.00 0.11 H new ATOM 0 HA ILE B 64 7.566 10.340 -5.692 1.00 0.11 H new ATOM 0 HB ILE B 64 9.059 11.241 -8.196 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.627 11.190 -8.482 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.348 9.867 -9.377 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.464 8.826 -8.635 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.261 9.359 -7.136 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.748 8.426 -7.056 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.344 9.093 -8.131 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.808 8.293 -7.511 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.075 9.636 -6.602 1.00 0.15 H new ATOM 1724 N CYS B 65 9.917 10.102 -4.662 1.00 0.09 N ATOM 1725 CA CYS B 65 11.252 10.103 -3.982 1.00 0.10 C ATOM 1726 C CYS B 65 12.164 9.188 -4.809 1.00 0.10 C ATOM 1727 O CYS B 65 11.806 8.071 -5.124 1.00 0.11 O ATOM 1728 CB CYS B 65 11.164 9.562 -2.537 1.00 0.10 C ATOM 1729 SG CYS B 65 9.696 10.195 -1.680 1.00 0.19 S ATOM 0 H CYS B 65 9.308 9.320 -4.423 1.00 0.09 H new ATOM 0 HA CYS B 65 11.632 11.123 -3.920 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.134 8.473 -2.556 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.060 9.847 -1.985 1.00 0.10 H new ATOM 1734 N SER B 66 13.318 9.654 -5.196 1.00 0.12 N ATOM 1735 CA SER B 66 14.217 8.803 -6.039 1.00 0.14 C ATOM 1736 C SER B 66 14.954 7.773 -5.171 1.00 0.14 C ATOM 1737 O SER B 66 15.334 8.051 -4.053 1.00 0.15 O ATOM 1738 CB SER B 66 15.246 9.702 -6.721 1.00 0.18 C ATOM 1739 OG SER B 66 14.571 10.648 -7.540 1.00 0.20 O ATOM 0 H SER B 66 13.680 10.580 -4.969 1.00 0.12 H new ATOM 0 HA SER B 66 13.616 8.275 -6.779 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.850 10.216 -5.973 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.928 9.102 -7.324 1.00 0.18 H new ATOM 0 HG SER B 66 15.228 11.228 -7.979 1.00 0.20 H new ATOM 1745 N TRP B 67 15.173 6.589 -5.690 1.00 0.15 N ATOM 1746 CA TRP B 67 15.899 5.545 -4.904 1.00 0.16 C ATOM 1747 C TRP B 67 17.399 5.823 -4.972 1.00 0.19 C ATOM 1748 O TRP B 67 18.175 5.297 -4.198 1.00 0.21 O ATOM 1749 CB TRP B 67 15.607 4.157 -5.479 1.00 0.16 C ATOM 1750 CG TRP B 67 14.189 3.810 -5.180 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.128 4.534 -5.583 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.653 2.687 -4.419 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.982 3.933 -5.124 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.254 2.798 -4.397 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.235 1.596 -3.751 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.460 1.874 -3.741 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.431 0.655 -3.087 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.043 0.802 -3.083 1.00 0.16 C ATOM 0 H TRP B 67 14.880 6.301 -6.624 1.00 0.15 H new ATOM 0 HA TRP B 67 15.564 5.574 -3.867 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.780 4.149 -6.555 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.278 3.417 -5.042 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.171 5.439 -6.171 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.042 4.286 -5.301 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.309 1.480 -3.748 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.386 1.988 -3.742 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.887 -0.182 -2.580 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.424 0.082 -2.568 1.00 0.16 H new ATOM 1769 N ASN B 68 17.816 6.665 -5.879 1.00 0.23 N ATOM 1770 CA ASN B 68 19.266 6.983 -5.972 1.00 0.27 C ATOM 1771 C ASN B 68 19.712 7.521 -4.619 1.00 0.26 C ATOM 1772 O ASN B 68 20.886 7.660 -4.342 1.00 0.30 O ATOM 1773 CB ASN B 68 19.499 8.045 -7.056 1.00 0.34 C ATOM 1774 CG ASN B 68 19.249 7.436 -8.440 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.557 8.043 -9.447 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.700 6.256 -8.533 1.00 0.40 N ATOM 0 H ASN B 68 17.219 7.142 -6.554 1.00 0.23 H new ATOM 0 HA ASN B 68 19.835 6.091 -6.235 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.834 8.893 -6.896 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.519 8.424 -6.994 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.530 5.844 -9.450 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.441 5.746 -7.688 1.00 0.40 H new