USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot -62:sc= 2.09 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 137:sc= 0.848 (180deg=-1.06) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.912 K(o=2.1,f=-5.9!) USER MOD Set 2.2: A 37 LYS NZ :NH3+ -120:sc= 1.19 (180deg=-0.0602) USER MOD Set 3.1: A 28 THR OG1 : rot 125:sc= 0.873 USER MOD Set 3.2: A 57 SER OG : rot 173:sc= 0.986 USER MOD Set 4.1: A 23 ASN : amide:sc= 0.273 K(o=0.42,f=-2.5!) USER MOD Set 4.2: A 26 THR OG1 : rot -150:sc= 0.147 USER MOD Set 5.1: A 2 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 6 SER OG : rot 53:sc= 1.83 USER MOD Set 5.3: A 9 LYS NZ :NH3+ 149:sc= 1.25 (180deg=-0.428!) USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.697 K(o=0.7,f=-7.6!) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= 0.0535 (180deg=-0.297) USER MOD Single : A 17 MET CE :methyl -172:sc= 0 (180deg=-0.115) USER MOD Single : A 21 GLN : amide:sc= 0.0739 K(o=0.074,f=-3.8!) USER MOD Single : A 29 GLN : amide:sc= 1.25 K(o=1.3,f=-0.007) USER MOD Single : A 32 SER OG : rot -78:sc= 0.745 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 1.5 (180deg=0.695) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -179:sc= -0.15 (180deg=-0.153) USER MOD Single : A 51 SER OG : rot -108:sc= 0.971 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 1.07 (180deg=-0.346) USER MOD Single : A 67 GLN : amide:sc= 0.573 K(o=0.57,f=-5.9!) USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 1.32 (180deg=1.32) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.321 -2.304 6.330 1.00 0.00 N ATOM 11 CA TYR A 2 -14.091 -2.388 7.165 1.00 0.00 C ATOM 12 C TYR A 2 -12.825 -2.101 6.361 1.00 0.00 C ATOM 13 O TYR A 2 -12.025 -1.248 6.748 1.00 0.00 O ATOM 14 CB TYR A 2 -14.013 -3.709 7.962 1.00 0.00 C ATOM 15 CG TYR A 2 -12.736 -3.974 8.763 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.079 -2.951 9.481 1.00 0.00 C ATOM 17 CD2 TYR A 2 -12.226 -5.288 8.832 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.931 -3.237 10.247 1.00 0.00 C ATOM 19 CE2 TYR A 2 -11.085 -5.582 9.604 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.428 -4.555 10.322 1.00 0.00 C ATOM 21 OH TYR A 2 -9.338 -4.835 11.091 1.00 0.00 O ATOM 0 HA TYR A 2 -14.161 -1.594 7.908 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.856 -3.736 8.653 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.149 -4.533 7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.459 -1.941 9.443 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.717 -6.079 8.285 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.432 -2.442 10.781 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.711 -6.594 9.648 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.129 -5.790 11.027 1.00 0.00 H new ATOM 31 N PHE A 3 -12.708 -2.733 5.200 1.00 0.00 N ATOM 32 CA PHE A 3 -11.696 -2.571 4.187 1.00 0.00 C ATOM 33 C PHE A 3 -11.197 -1.142 4.038 1.00 0.00 C ATOM 34 O PHE A 3 -9.985 -0.986 3.965 1.00 0.00 O ATOM 35 CB PHE A 3 -12.264 -3.092 2.866 1.00 0.00 C ATOM 36 CG PHE A 3 -12.206 -4.589 2.711 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.955 -5.232 2.708 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.386 -5.331 2.531 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.885 -6.625 2.565 1.00 0.00 C ATOM 40 CE2 PHE A 3 -13.319 -6.724 2.397 1.00 0.00 C ATOM 41 CZ PHE A 3 -12.071 -7.362 2.424 1.00 0.00 C ATOM 0 H PHE A 3 -13.391 -3.439 4.927 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.819 -3.143 4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.302 -2.770 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.717 -2.632 2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.049 -4.653 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.342 -4.829 2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.928 -7.126 2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.223 -7.302 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.021 -8.437 2.335 1.00 0.00 H new ATOM 51 N CYS A 4 -12.062 -0.116 4.024 1.00 0.00 N ATOM 52 CA CYS A 4 -11.600 1.250 3.812 1.00 0.00 C ATOM 53 C CYS A 4 -10.547 1.643 4.847 1.00 0.00 C ATOM 54 O CYS A 4 -9.473 2.104 4.469 1.00 0.00 O ATOM 55 CB CYS A 4 -12.737 2.288 3.905 1.00 0.00 C ATOM 56 SG CYS A 4 -12.099 3.984 3.710 1.00 0.00 S ATOM 0 H CYS A 4 -13.069 -0.211 4.156 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.184 1.258 2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.481 2.086 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.241 2.194 4.867 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.083 4.830 3.792 1.00 0.00 H new ATOM 61 N GLU A 5 -10.879 1.502 6.134 1.00 0.00 N ATOM 62 CA GLU A 5 -10.043 1.915 7.251 1.00 0.00 C ATOM 63 C GLU A 5 -8.722 1.174 7.130 1.00 0.00 C ATOM 64 O GLU A 5 -7.667 1.792 6.985 1.00 0.00 O ATOM 65 CB GLU A 5 -10.786 1.613 8.571 1.00 0.00 C ATOM 66 CG GLU A 5 -9.985 1.882 9.859 1.00 0.00 C ATOM 67 CD GLU A 5 -8.853 0.877 10.118 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.061 -0.358 10.050 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.700 1.297 10.347 1.00 0.00 O ATOM 0 H GLU A 5 -11.762 1.085 6.429 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.837 2.985 7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.698 2.210 8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.090 0.566 8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.561 2.885 9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.669 1.869 10.708 1.00 0.00 H new ATOM 76 N SER A 6 -8.787 -0.158 7.143 1.00 0.00 N ATOM 77 CA SER A 6 -7.575 -0.951 7.155 1.00 0.00 C ATOM 78 C SER A 6 -6.742 -0.739 5.890 1.00 0.00 C ATOM 79 O SER A 6 -5.522 -0.681 5.988 1.00 0.00 O ATOM 80 CB SER A 6 -7.897 -2.402 7.494 1.00 0.00 C ATOM 81 OG SER A 6 -8.033 -2.493 8.902 1.00 0.00 O ATOM 0 H SER A 6 -9.654 -0.695 7.145 1.00 0.00 H new ATOM 0 HA SER A 6 -6.919 -0.605 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.816 -2.716 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.104 -3.062 7.142 1.00 0.00 H new ATOM 0 HG SER A 6 -8.676 -1.822 9.213 1.00 0.00 H new ATOM 87 N CYS A 7 -7.353 -0.605 4.714 1.00 0.00 N ATOM 88 CA CYS A 7 -6.656 -0.272 3.479 1.00 0.00 C ATOM 89 C CYS A 7 -5.966 1.086 3.596 1.00 0.00 C ATOM 90 O CYS A 7 -4.789 1.201 3.250 1.00 0.00 O ATOM 91 CB CYS A 7 -7.643 -0.279 2.317 1.00 0.00 C ATOM 92 SG CYS A 7 -6.921 0.067 0.695 1.00 0.00 S ATOM 0 H CYS A 7 -8.359 -0.727 4.594 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.886 -1.021 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.130 -1.253 2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.420 0.459 2.516 1.00 0.00 H new ATOM 97 N ARG A 8 -6.668 2.109 4.101 1.00 0.00 N ATOM 98 CA ARG A 8 -6.080 3.424 4.313 1.00 0.00 C ATOM 99 C ARG A 8 -4.856 3.259 5.204 1.00 0.00 C ATOM 100 O ARG A 8 -3.784 3.699 4.818 1.00 0.00 O ATOM 101 CB ARG A 8 -7.105 4.415 4.903 1.00 0.00 C ATOM 102 CG ARG A 8 -6.524 5.838 4.951 1.00 0.00 C ATOM 103 CD ARG A 8 -7.239 6.766 5.935 1.00 0.00 C ATOM 104 NE ARG A 8 -6.449 8.001 6.103 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.865 9.241 6.377 1.00 0.00 C ATOM 106 NH1 ARG A 8 -8.153 9.575 6.345 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.940 10.148 6.675 1.00 0.00 N ATOM 0 H ARG A 8 -7.650 2.043 4.370 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.773 3.853 3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.013 4.408 4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.387 4.099 5.907 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.470 5.781 5.221 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.574 6.274 3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.237 7.006 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.365 6.268 6.896 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.441 7.893 5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.856 8.875 6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.437 10.531 6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.954 9.886 6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.216 11.106 6.890 1.00 0.00 H new ATOM 121 N LYS A 9 -4.999 2.618 6.363 1.00 0.00 N ATOM 122 CA LYS A 9 -3.930 2.336 7.318 1.00 0.00 C ATOM 123 C LYS A 9 -2.755 1.613 6.645 1.00 0.00 C ATOM 124 O LYS A 9 -1.605 1.967 6.896 1.00 0.00 O ATOM 125 CB LYS A 9 -4.579 1.545 8.466 1.00 0.00 C ATOM 126 CG LYS A 9 -3.645 1.057 9.583 1.00 0.00 C ATOM 127 CD LYS A 9 -4.463 0.445 10.739 1.00 0.00 C ATOM 128 CE LYS A 9 -5.176 -0.860 10.332 1.00 0.00 C ATOM 129 NZ LYS A 9 -6.484 -1.036 11.002 1.00 0.00 N ATOM 0 H LYS A 9 -5.904 2.266 6.675 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.483 3.247 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.350 2.170 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.081 0.677 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.951 0.315 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.045 1.888 9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.802 0.246 11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.204 1.169 11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.323 -0.866 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.534 -1.708 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.126 -1.565 10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.352 -1.563 11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.895 -0.104 11.212 1.00 0.00 H new ATOM 143 N ILE A 10 -3.036 0.630 5.787 1.00 0.00 N ATOM 144 CA ILE A 10 -2.049 -0.135 5.035 1.00 0.00 C ATOM 145 C ILE A 10 -1.217 0.816 4.163 1.00 0.00 C ATOM 146 O ILE A 10 0.005 0.837 4.319 1.00 0.00 O ATOM 147 CB ILE A 10 -2.747 -1.307 4.290 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.046 -2.441 5.297 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.905 -1.885 3.146 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.097 -3.458 4.811 1.00 0.00 C ATOM 0 H ILE A 10 -3.993 0.337 5.592 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.326 -0.618 5.693 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.660 -0.902 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.119 -2.971 5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.390 -1.999 6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.450 -2.699 2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.703 -1.104 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.963 -2.263 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.248 -4.219 5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.039 -2.944 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.749 -3.931 3.893 1.00 0.00 H new ATOM 162 N ILE A 11 -1.833 1.607 3.272 1.00 0.00 N ATOM 163 CA ILE A 11 -1.058 2.554 2.466 1.00 0.00 C ATOM 164 C ILE A 11 -0.420 3.637 3.346 1.00 0.00 C ATOM 165 O ILE A 11 0.695 4.042 3.052 1.00 0.00 O ATOM 166 CB ILE A 11 -1.812 3.117 1.242 1.00 0.00 C ATOM 167 CG1 ILE A 11 -1.916 2.046 0.126 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.063 4.322 0.636 1.00 0.00 C ATOM 169 CD1 ILE A 11 -3.341 1.550 -0.052 1.00 0.00 C ATOM 0 H ILE A 11 -2.838 1.610 3.096 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.246 1.981 2.019 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.800 3.416 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.557 2.465 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.266 1.205 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.616 4.699 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.975 5.110 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.068 4.010 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.369 0.801 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.691 1.106 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.986 2.386 -0.321 1.00 0.00 H new ATOM 181 N GLN A 12 -1.087 4.148 4.384 1.00 0.00 N ATOM 182 CA GLN A 12 -0.525 5.208 5.221 1.00 0.00 C ATOM 183 C GLN A 12 0.870 4.822 5.706 1.00 0.00 C ATOM 184 O GLN A 12 1.787 5.616 5.528 1.00 0.00 O ATOM 185 CB GLN A 12 -1.433 5.540 6.420 1.00 0.00 C ATOM 186 CG GLN A 12 -2.696 6.334 6.049 1.00 0.00 C ATOM 187 CD GLN A 12 -2.567 7.859 6.035 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.588 8.543 6.144 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.382 8.422 5.849 1.00 0.00 N ATOM 0 H GLN A 12 -2.019 3.843 4.664 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.455 6.104 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.731 4.610 6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.859 6.111 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.024 6.011 5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.486 6.065 6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.549 7.840 5.761 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.303 9.437 5.794 1.00 0.00 H new ATOM 198 N LYS A 13 1.042 3.624 6.283 1.00 0.00 N ATOM 199 CA LYS A 13 2.335 3.243 6.849 1.00 0.00 C ATOM 200 C LYS A 13 3.288 2.945 5.664 1.00 0.00 C ATOM 201 O LYS A 13 4.496 3.021 5.830 1.00 0.00 O ATOM 202 CB LYS A 13 2.140 2.109 7.873 1.00 0.00 C ATOM 203 CG LYS A 13 3.236 1.914 8.951 1.00 0.00 C ATOM 204 CD LYS A 13 4.702 1.601 8.608 1.00 0.00 C ATOM 205 CE LYS A 13 5.668 2.804 8.558 1.00 0.00 C ATOM 206 NZ LYS A 13 5.736 3.655 9.764 1.00 0.00 N ATOM 0 H LYS A 13 0.313 2.916 6.367 1.00 0.00 H new ATOM 0 HA LYS A 13 2.806 4.037 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.193 2.279 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.041 1.174 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.246 2.825 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.892 1.109 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.080 0.890 9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.727 1.102 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.670 2.427 8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.384 3.433 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.589 4.248 9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.893 4.263 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.774 3.054 10.612 1.00 0.00 H new ATOM 220 N LEU A 14 2.790 2.509 4.495 1.00 0.00 N ATOM 221 CA LEU A 14 3.610 2.323 3.287 1.00 0.00 C ATOM 222 C LEU A 14 4.236 3.640 2.842 1.00 0.00 C ATOM 223 O LEU A 14 5.441 3.672 2.630 1.00 0.00 O ATOM 224 CB LEU A 14 2.796 1.726 2.120 1.00 0.00 C ATOM 225 CG LEU A 14 3.532 1.686 0.765 1.00 0.00 C ATOM 226 CD1 LEU A 14 4.832 0.883 0.840 1.00 0.00 C ATOM 227 CD2 LEU A 14 2.579 1.067 -0.264 1.00 0.00 C ATOM 0 H LEU A 14 1.806 2.275 4.361 1.00 0.00 H new ATOM 0 HA LEU A 14 4.398 1.618 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.499 0.711 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.880 2.305 2.002 1.00 0.00 H new ATOM 0 HG LEU A 14 3.812 2.699 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.316 0.882 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.498 1.336 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.610 -0.142 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.071 1.024 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.309 0.059 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.679 1.677 -0.339 1.00 0.00 H new ATOM 239 N GLU A 15 3.422 4.680 2.654 1.00 0.00 N ATOM 240 CA GLU A 15 3.852 5.994 2.180 1.00 0.00 C ATOM 241 C GLU A 15 4.930 6.521 3.139 1.00 0.00 C ATOM 242 O GLU A 15 6.000 6.939 2.717 1.00 0.00 O ATOM 243 CB GLU A 15 2.591 6.875 2.040 1.00 0.00 C ATOM 244 CG GLU A 15 2.842 8.217 1.340 1.00 0.00 C ATOM 245 CD GLU A 15 1.560 8.846 0.765 1.00 0.00 C ATOM 246 OE1 GLU A 15 0.664 9.314 1.514 1.00 0.00 O ATOM 247 OE2 GLU A 15 1.453 8.981 -0.474 1.00 0.00 O ATOM 0 H GLU A 15 2.419 4.629 2.832 1.00 0.00 H new ATOM 0 HA GLU A 15 4.321 5.977 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.834 6.322 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.181 7.065 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.294 8.911 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.561 8.071 0.534 1.00 0.00 H new ATOM 254 N ASP A 16 4.661 6.387 4.436 1.00 0.00 N ATOM 255 CA ASP A 16 5.536 6.669 5.574 1.00 0.00 C ATOM 256 C ASP A 16 6.849 5.866 5.519 1.00 0.00 C ATOM 257 O ASP A 16 7.904 6.445 5.754 1.00 0.00 O ATOM 258 CB ASP A 16 4.638 6.395 6.801 1.00 0.00 C ATOM 259 CG ASP A 16 5.207 6.095 8.187 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.411 5.832 8.376 1.00 0.00 O ATOM 261 OD2 ASP A 16 4.364 5.816 9.077 1.00 0.00 O ATOM 0 H ASP A 16 3.749 6.050 4.745 1.00 0.00 H new ATOM 0 HA ASP A 16 5.911 7.692 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.989 7.264 6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.999 5.552 6.537 1.00 0.00 H new ATOM 266 N MET A 17 6.833 4.573 5.151 1.00 0.00 N ATOM 267 CA MET A 17 8.074 3.806 5.002 1.00 0.00 C ATOM 268 C MET A 17 8.873 4.216 3.771 1.00 0.00 C ATOM 269 O MET A 17 10.077 4.420 3.892 1.00 0.00 O ATOM 270 CB MET A 17 7.865 2.280 4.903 1.00 0.00 C ATOM 271 CG MET A 17 7.616 1.605 6.250 1.00 0.00 C ATOM 272 SD MET A 17 8.306 -0.066 6.492 1.00 0.00 S ATOM 273 CE MET A 17 7.628 -0.953 5.069 1.00 0.00 C ATOM 0 H MET A 17 5.983 4.045 4.954 1.00 0.00 H new ATOM 0 HA MET A 17 8.617 4.040 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.019 2.080 4.245 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.743 1.831 4.439 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.018 2.252 7.030 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.538 1.550 6.405 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.849 -2.016 5.164 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.548 -0.809 5.031 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.078 -0.569 4.153 1.00 0.00 H new ATOM 283 N VAL A 18 8.273 4.126 2.578 1.00 0.00 N ATOM 284 CA VAL A 18 9.015 4.368 1.345 1.00 0.00 C ATOM 285 C VAL A 18 9.547 5.811 1.313 1.00 0.00 C ATOM 286 O VAL A 18 10.615 6.051 0.755 1.00 0.00 O ATOM 287 CB VAL A 18 8.201 3.953 0.103 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.177 4.976 -0.386 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.117 3.455 -1.014 1.00 0.00 C ATOM 0 H VAL A 18 7.289 3.891 2.445 1.00 0.00 H new ATOM 0 HA VAL A 18 9.896 3.726 1.321 1.00 0.00 H new ATOM 0 HB VAL A 18 7.580 3.121 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.661 4.584 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.452 5.172 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.686 5.903 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.516 3.169 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.807 4.249 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.682 2.591 -0.663 1.00 0.00 H new ATOM 299 N GLY A 19 8.815 6.750 1.924 1.00 0.00 N ATOM 300 CA GLY A 19 9.190 8.145 2.011 1.00 0.00 C ATOM 301 C GLY A 19 8.882 8.892 0.706 1.00 0.00 C ATOM 302 O GLY A 19 8.041 8.446 -0.083 1.00 0.00 O ATOM 0 H GLY A 19 7.926 6.544 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.655 8.616 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.254 8.224 2.234 1.00 0.00 H new ATOM 306 N PRO A 20 9.478 10.081 0.502 1.00 0.00 N ATOM 307 CA PRO A 20 9.275 10.873 -0.697 1.00 0.00 C ATOM 308 C PRO A 20 9.928 10.191 -1.901 1.00 0.00 C ATOM 309 O PRO A 20 10.732 9.274 -1.759 1.00 0.00 O ATOM 310 CB PRO A 20 9.909 12.235 -0.393 1.00 0.00 C ATOM 311 CG PRO A 20 11.063 11.868 0.533 1.00 0.00 C ATOM 312 CD PRO A 20 10.494 10.699 1.334 1.00 0.00 C ATOM 0 HA PRO A 20 8.221 10.984 -0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 20 10.258 12.730 -1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.203 12.912 0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.954 11.580 -0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.345 12.701 1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.277 9.984 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.066 11.046 2.275 1.00 0.00 H new ATOM 320 N GLN A 21 9.575 10.711 -3.076 1.00 0.00 N ATOM 321 CA GLN A 21 10.051 10.371 -4.422 1.00 0.00 C ATOM 322 C GLN A 21 10.655 8.951 -4.515 1.00 0.00 C ATOM 323 O GLN A 21 11.851 8.800 -4.768 1.00 0.00 O ATOM 324 CB GLN A 21 10.997 11.488 -4.922 1.00 0.00 C ATOM 325 CG GLN A 21 10.316 12.743 -5.511 1.00 0.00 C ATOM 326 CD GLN A 21 9.126 13.328 -4.742 1.00 0.00 C ATOM 327 OE1 GLN A 21 9.102 13.420 -3.522 1.00 0.00 O ATOM 328 NE2 GLN A 21 8.083 13.744 -5.444 1.00 0.00 N ATOM 0 H GLN A 21 8.879 11.456 -3.116 1.00 0.00 H new ATOM 0 HA GLN A 21 9.195 10.327 -5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.630 11.799 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.654 11.066 -5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.072 13.523 -5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.979 12.501 -6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.092 13.672 -6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.271 14.136 -4.967 1.00 0.00 H new ATOM 337 N PRO A 22 9.836 7.897 -4.326 1.00 0.00 N ATOM 338 CA PRO A 22 10.303 6.524 -4.404 1.00 0.00 C ATOM 339 C PRO A 22 10.452 6.104 -5.880 1.00 0.00 C ATOM 340 O PRO A 22 10.299 6.906 -6.803 1.00 0.00 O ATOM 341 CB PRO A 22 9.229 5.738 -3.656 1.00 0.00 C ATOM 342 CG PRO A 22 7.951 6.455 -4.069 1.00 0.00 C ATOM 343 CD PRO A 22 8.403 7.917 -4.043 1.00 0.00 C ATOM 0 HA PRO A 22 11.287 6.356 -3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.218 4.688 -3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.381 5.768 -2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.609 6.148 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.132 6.266 -3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.866 8.505 -4.787 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.203 8.371 -3.072 1.00 0.00 H new ATOM 351 N ASN A 23 10.628 4.806 -6.123 1.00 0.00 N ATOM 352 CA ASN A 23 10.660 4.197 -7.448 1.00 0.00 C ATOM 353 C ASN A 23 9.858 2.904 -7.324 1.00 0.00 C ATOM 354 O ASN A 23 9.710 2.356 -6.229 1.00 0.00 O ATOM 355 CB ASN A 23 12.084 3.943 -7.964 1.00 0.00 C ATOM 356 CG ASN A 23 12.775 2.842 -7.178 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.460 1.667 -7.334 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.682 3.209 -6.293 1.00 0.00 N ATOM 0 H ASN A 23 10.757 4.126 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 23 10.230 4.871 -8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.046 3.669 -9.018 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.666 4.862 -7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.143 2.507 -5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.922 4.195 -6.187 1.00 0.00 H new ATOM 365 N GLU A 24 9.238 2.523 -8.438 1.00 0.00 N ATOM 366 CA GLU A 24 8.296 1.418 -8.581 1.00 0.00 C ATOM 367 C GLU A 24 8.725 0.150 -7.817 1.00 0.00 C ATOM 368 O GLU A 24 7.911 -0.425 -7.089 1.00 0.00 O ATOM 369 CB GLU A 24 8.065 1.227 -10.096 1.00 0.00 C ATOM 370 CG GLU A 24 6.906 0.329 -10.564 1.00 0.00 C ATOM 371 CD GLU A 24 6.871 -1.118 -10.090 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.236 -1.413 -9.051 1.00 0.00 O ATOM 373 OE2 GLU A 24 7.307 -2.007 -10.843 1.00 0.00 O ATOM 0 H GLU A 24 9.391 3.010 -9.321 1.00 0.00 H new ATOM 0 HA GLU A 24 7.344 1.650 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.915 2.214 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.985 0.826 -10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.974 0.802 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.912 0.321 -11.654 1.00 0.00 H new ATOM 380 N ASP A 25 10.012 -0.223 -7.850 1.00 0.00 N ATOM 381 CA ASP A 25 10.456 -1.417 -7.130 1.00 0.00 C ATOM 382 C ASP A 25 10.407 -1.147 -5.640 1.00 0.00 C ATOM 383 O ASP A 25 9.766 -1.892 -4.904 1.00 0.00 O ATOM 384 CB ASP A 25 11.865 -1.893 -7.489 1.00 0.00 C ATOM 385 CG ASP A 25 12.210 -3.045 -6.534 1.00 0.00 C ATOM 386 OD1 ASP A 25 11.648 -4.145 -6.733 1.00 0.00 O ATOM 387 OD2 ASP A 25 12.934 -2.784 -5.544 1.00 0.00 O ATOM 0 H ASP A 25 10.746 0.273 -8.356 1.00 0.00 H new ATOM 0 HA ASP A 25 9.774 -2.213 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.906 -2.227 -8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.584 -1.080 -7.387 1.00 0.00 H new ATOM 392 N THR A 26 11.040 -0.063 -5.193 1.00 0.00 N ATOM 393 CA THR A 26 11.114 0.275 -3.782 1.00 0.00 C ATOM 394 C THR A 26 9.712 0.358 -3.165 1.00 0.00 C ATOM 395 O THR A 26 9.532 -0.102 -2.040 1.00 0.00 O ATOM 396 CB THR A 26 11.983 1.526 -3.602 1.00 0.00 C ATOM 397 OG1 THR A 26 13.211 1.307 -4.275 1.00 0.00 O ATOM 398 CG2 THR A 26 12.348 1.805 -2.143 1.00 0.00 C ATOM 0 H THR A 26 11.514 0.602 -5.803 1.00 0.00 H new ATOM 0 HA THR A 26 11.609 -0.517 -3.220 1.00 0.00 H new ATOM 0 HB THR A 26 11.408 2.367 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.925 1.804 -3.823 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.963 2.703 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.438 1.952 -1.562 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.904 0.959 -1.739 1.00 0.00 H new ATOM 406 N VAL A 27 8.695 0.839 -3.888 1.00 0.00 N ATOM 407 CA VAL A 27 7.320 0.811 -3.390 1.00 0.00 C ATOM 408 C VAL A 27 6.832 -0.644 -3.305 1.00 0.00 C ATOM 409 O VAL A 27 6.264 -1.041 -2.287 1.00 0.00 O ATOM 410 CB VAL A 27 6.377 1.663 -4.262 1.00 0.00 C ATOM 411 CG1 VAL A 27 4.983 1.703 -3.621 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.830 3.120 -4.428 1.00 0.00 C ATOM 0 H VAL A 27 8.799 1.250 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 27 7.307 1.250 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 27 6.378 1.189 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.316 2.306 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.589 0.690 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.053 2.142 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.115 3.654 -5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.884 3.598 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.813 3.144 -4.898 1.00 0.00 H new ATOM 422 N THR A 28 7.031 -1.444 -4.352 1.00 0.00 N ATOM 423 CA THR A 28 6.646 -2.847 -4.418 1.00 0.00 C ATOM 424 C THR A 28 7.267 -3.654 -3.258 1.00 0.00 C ATOM 425 O THR A 28 6.545 -4.389 -2.562 1.00 0.00 O ATOM 426 CB THR A 28 6.984 -3.349 -5.841 1.00 0.00 C ATOM 427 OG1 THR A 28 5.957 -2.910 -6.715 1.00 0.00 O ATOM 428 CG2 THR A 28 7.080 -4.870 -5.989 1.00 0.00 C ATOM 0 H THR A 28 7.481 -1.118 -5.207 1.00 0.00 H new ATOM 0 HA THR A 28 5.575 -2.987 -4.269 1.00 0.00 H new ATOM 0 HB THR A 28 7.970 -2.947 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.352 -2.401 -7.454 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.321 -5.121 -7.022 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.862 -5.251 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.126 -5.323 -5.719 1.00 0.00 H new ATOM 436 N GLN A 29 8.570 -3.524 -2.991 1.00 0.00 N ATOM 437 CA GLN A 29 9.195 -4.207 -1.862 1.00 0.00 C ATOM 438 C GLN A 29 8.707 -3.607 -0.538 1.00 0.00 C ATOM 439 O GLN A 29 8.292 -4.356 0.351 1.00 0.00 O ATOM 440 CB GLN A 29 10.726 -4.296 -1.973 1.00 0.00 C ATOM 441 CG GLN A 29 11.487 -2.988 -2.191 1.00 0.00 C ATOM 442 CD GLN A 29 12.976 -3.164 -1.916 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.372 -3.314 -0.765 1.00 0.00 O ATOM 444 NE2 GLN A 29 13.814 -3.150 -2.937 1.00 0.00 N ATOM 0 H GLN A 29 9.209 -2.952 -3.543 1.00 0.00 H new ATOM 0 HA GLN A 29 8.871 -5.248 -1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.105 -4.759 -1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.967 -4.968 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.342 -2.646 -3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.083 -2.216 -1.537 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.460 -3.024 -3.885 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.815 -3.266 -2.777 1.00 0.00 H new ATOM 453 N ALA A 30 8.660 -2.275 -0.406 1.00 0.00 N ATOM 454 CA ALA A 30 8.228 -1.620 0.823 1.00 0.00 C ATOM 455 C ALA A 30 6.801 -2.017 1.194 1.00 0.00 C ATOM 456 O ALA A 30 6.516 -2.141 2.377 1.00 0.00 O ATOM 457 CB ALA A 30 8.350 -0.096 0.729 1.00 0.00 C ATOM 0 H ALA A 30 8.921 -1.628 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 30 8.896 -1.962 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.018 0.354 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.389 0.175 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.729 0.269 -0.089 1.00 0.00 H new ATOM 463 N ALA A 31 5.911 -2.255 0.230 1.00 0.00 N ATOM 464 CA ALA A 31 4.533 -2.694 0.427 1.00 0.00 C ATOM 465 C ALA A 31 4.476 -4.190 0.747 1.00 0.00 C ATOM 466 O ALA A 31 3.781 -4.592 1.677 1.00 0.00 O ATOM 467 CB ALA A 31 3.730 -2.385 -0.839 1.00 0.00 C ATOM 0 H ALA A 31 6.145 -2.141 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 31 4.103 -2.160 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.698 -2.709 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.751 -1.312 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.168 -2.914 -1.686 1.00 0.00 H new ATOM 473 N SER A 32 5.151 -5.064 -0.006 1.00 0.00 N ATOM 474 CA SER A 32 5.205 -6.485 0.379 1.00 0.00 C ATOM 475 C SER A 32 5.758 -6.661 1.811 1.00 0.00 C ATOM 476 O SER A 32 5.401 -7.635 2.496 1.00 0.00 O ATOM 477 CB SER A 32 5.877 -7.327 -0.710 1.00 0.00 C ATOM 478 OG SER A 32 7.098 -6.778 -1.137 1.00 0.00 O ATOM 0 H SER A 32 5.655 -4.827 -0.861 1.00 0.00 H new ATOM 0 HA SER A 32 4.193 -6.886 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.048 -8.335 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.204 -7.416 -1.563 1.00 0.00 H new ATOM 0 HG SER A 32 6.925 -6.035 -1.752 1.00 0.00 H new ATOM 484 N GLN A 33 6.514 -5.663 2.287 1.00 0.00 N ATOM 485 CA GLN A 33 7.030 -5.516 3.634 1.00 0.00 C ATOM 486 C GLN A 33 6.048 -4.785 4.538 1.00 0.00 C ATOM 487 O GLN A 33 5.987 -5.154 5.706 1.00 0.00 O ATOM 488 CB GLN A 33 8.356 -4.739 3.651 1.00 0.00 C ATOM 489 CG GLN A 33 9.564 -5.618 3.329 1.00 0.00 C ATOM 490 CD GLN A 33 9.875 -6.389 4.614 1.00 0.00 C ATOM 491 OE1 GLN A 33 10.150 -5.781 5.651 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.699 -7.700 4.621 1.00 0.00 N ATOM 0 H GLN A 33 6.795 -4.886 1.689 1.00 0.00 H new ATOM 0 HA GLN A 33 7.188 -6.529 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.303 -3.924 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.494 -4.286 4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.343 -6.300 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.416 -5.013 3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.472 -8.189 3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.790 -8.222 5.492 1.00 0.00 H new ATOM 501 N VAL A 34 5.265 -3.815 4.056 1.00 0.00 N ATOM 502 CA VAL A 34 4.397 -2.994 4.899 1.00 0.00 C ATOM 503 C VAL A 34 3.434 -3.955 5.586 1.00 0.00 C ATOM 504 O VAL A 34 3.194 -3.879 6.785 1.00 0.00 O ATOM 505 CB VAL A 34 3.633 -1.911 4.093 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.339 -2.278 3.341 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.335 -0.714 4.962 1.00 0.00 C ATOM 0 H VAL A 34 5.217 -3.578 3.065 1.00 0.00 H new ATOM 0 HA VAL A 34 4.993 -2.439 5.624 1.00 0.00 H new ATOM 0 HB VAL A 34 4.350 -1.723 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.948 -1.394 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.554 -3.051 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.599 -2.648 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.799 0.035 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.721 -1.023 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.269 -0.288 5.328 1.00 0.00 H new ATOM 517 N CYS A 35 2.985 -4.949 4.821 1.00 0.00 N ATOM 518 CA CYS A 35 2.081 -5.968 5.268 1.00 0.00 C ATOM 519 C CYS A 35 2.767 -6.862 6.268 1.00 0.00 C ATOM 520 O CYS A 35 2.190 -7.162 7.303 1.00 0.00 O ATOM 521 CB CYS A 35 1.718 -6.831 4.061 1.00 0.00 C ATOM 522 SG CYS A 35 1.002 -5.965 2.667 1.00 0.00 S ATOM 0 H CYS A 35 3.259 -5.057 3.844 1.00 0.00 H new ATOM 0 HA CYS A 35 1.204 -5.505 5.721 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.618 -7.344 3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.016 -7.599 4.386 1.00 0.00 H new ATOM 527 N ASP A 36 3.923 -7.399 5.878 1.00 0.00 N ATOM 528 CA ASP A 36 4.664 -8.361 6.674 1.00 0.00 C ATOM 529 C ASP A 36 4.859 -7.788 8.098 1.00 0.00 C ATOM 530 O ASP A 36 4.554 -8.416 9.111 1.00 0.00 O ATOM 531 CB ASP A 36 5.964 -8.672 5.930 1.00 0.00 C ATOM 532 CG ASP A 36 6.488 -10.016 6.394 1.00 0.00 C ATOM 533 OD1 ASP A 36 7.164 -10.119 7.432 1.00 0.00 O ATOM 534 OD2 ASP A 36 6.056 -10.983 5.717 1.00 0.00 O ATOM 0 H ASP A 36 4.371 -7.172 4.990 1.00 0.00 H new ATOM 0 HA ASP A 36 4.134 -9.305 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.788 -8.687 4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.703 -7.894 6.121 1.00 0.00 H new ATOM 539 N LYS A 37 5.278 -6.522 8.131 1.00 0.00 N ATOM 540 CA LYS A 37 5.677 -5.689 9.259 1.00 0.00 C ATOM 541 C LYS A 37 4.482 -5.233 10.108 1.00 0.00 C ATOM 542 O LYS A 37 4.614 -5.148 11.329 1.00 0.00 O ATOM 543 CB LYS A 37 6.486 -4.537 8.641 1.00 0.00 C ATOM 544 CG LYS A 37 7.279 -3.632 9.588 1.00 0.00 C ATOM 545 CD LYS A 37 8.256 -2.780 8.750 1.00 0.00 C ATOM 546 CE LYS A 37 9.587 -3.509 8.471 1.00 0.00 C ATOM 547 NZ LYS A 37 10.104 -3.354 7.089 1.00 0.00 N ATOM 0 H LYS A 37 5.353 -5.996 7.260 1.00 0.00 H new ATOM 0 HA LYS A 37 6.285 -6.238 9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.186 -4.966 7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.797 -3.909 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.603 -2.989 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.827 -4.232 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.784 -2.518 7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.460 -1.846 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.339 -3.141 9.169 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.453 -4.571 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.182 -4.289 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.451 -2.760 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.041 -2.904 7.117 1.00 0.00 H new ATOM 561 N LEU A 38 3.331 -4.903 9.511 1.00 0.00 N ATOM 562 CA LEU A 38 2.164 -4.410 10.249 1.00 0.00 C ATOM 563 C LEU A 38 1.565 -5.605 10.994 1.00 0.00 C ATOM 564 O LEU A 38 0.909 -6.458 10.400 1.00 0.00 O ATOM 565 CB LEU A 38 1.093 -3.832 9.292 1.00 0.00 C ATOM 566 CG LEU A 38 1.324 -2.390 8.793 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.439 -2.116 7.566 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.975 -1.353 9.868 1.00 0.00 C ATOM 0 H LEU A 38 3.183 -4.970 8.504 1.00 0.00 H new ATOM 0 HA LEU A 38 2.471 -3.614 10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.022 -4.487 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.128 -3.868 9.798 1.00 0.00 H new ATOM 0 HG LEU A 38 2.381 -2.301 8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.606 -1.097 7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.692 -2.817 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.609 -2.239 7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.151 -0.351 9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.074 -1.455 10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.600 -1.515 10.746 1.00 0.00 H new ATOM 580 N LYS A 39 1.727 -5.651 12.321 1.00 0.00 N ATOM 581 CA LYS A 39 1.306 -6.813 13.108 1.00 0.00 C ATOM 582 C LYS A 39 -0.211 -6.751 13.293 1.00 0.00 C ATOM 583 O LYS A 39 -0.805 -5.681 13.171 1.00 0.00 O ATOM 584 CB LYS A 39 2.074 -6.854 14.449 1.00 0.00 C ATOM 585 CG LYS A 39 1.785 -5.665 15.392 1.00 0.00 C ATOM 586 CD LYS A 39 2.752 -5.562 16.587 1.00 0.00 C ATOM 587 CE LYS A 39 2.576 -6.689 17.621 1.00 0.00 C ATOM 588 NZ LYS A 39 3.441 -6.503 18.815 1.00 0.00 N ATOM 0 H LYS A 39 2.145 -4.900 12.870 1.00 0.00 H new ATOM 0 HA LYS A 39 1.545 -7.741 12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.825 -7.780 14.967 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.143 -6.883 14.240 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.833 -4.740 14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.766 -5.753 15.769 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.777 -5.577 16.217 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.605 -4.601 17.081 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.533 -6.731 17.934 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.807 -7.646 17.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.286 -7.287 19.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.439 -6.489 18.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.204 -5.603 19.279 1.00 0.00 H new ATOM 602 N ILE A 40 -0.829 -7.900 13.597 1.00 0.00 N ATOM 603 CA ILE A 40 -2.279 -8.134 13.692 1.00 0.00 C ATOM 604 C ILE A 40 -2.886 -8.063 12.288 1.00 0.00 C ATOM 605 O ILE A 40 -3.346 -9.065 11.750 1.00 0.00 O ATOM 606 CB ILE A 40 -3.007 -7.198 14.703 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.452 -7.322 16.140 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.539 -7.393 14.677 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.578 -8.711 16.781 1.00 0.00 C ATOM 0 H ILE A 40 -0.296 -8.747 13.796 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.430 -9.132 14.104 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.798 -6.181 14.370 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.399 -7.040 16.129 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.968 -6.601 16.773 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.004 -6.720 15.398 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.917 -7.173 13.679 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.779 -8.424 14.936 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.158 -8.687 17.787 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.629 -8.994 16.833 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.036 -9.440 16.179 1.00 0.00 H new ATOM 621 N LEU A 41 -2.777 -6.911 11.632 1.00 0.00 N ATOM 622 CA LEU A 41 -3.404 -6.604 10.355 1.00 0.00 C ATOM 623 C LEU A 41 -2.579 -7.125 9.155 1.00 0.00 C ATOM 624 O LEU A 41 -2.907 -6.865 7.995 1.00 0.00 O ATOM 625 CB LEU A 41 -3.656 -5.079 10.398 1.00 0.00 C ATOM 626 CG LEU A 41 -4.719 -4.462 9.468 1.00 0.00 C ATOM 627 CD1 LEU A 41 -4.080 -3.786 8.259 1.00 0.00 C ATOM 628 CD2 LEU A 41 -5.846 -5.421 9.077 1.00 0.00 C ATOM 0 H LEU A 41 -2.225 -6.134 11.994 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.351 -7.122 10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.927 -4.821 11.422 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.708 -4.585 10.185 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.212 -3.689 10.057 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.859 -3.362 7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.414 -2.992 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.510 -4.521 7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.550 -4.907 8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.427 -6.281 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.365 -5.758 9.974 1.00 0.00 H new ATOM 640 N ARG A 42 -1.587 -7.986 9.423 1.00 0.00 N ATOM 641 CA ARG A 42 -0.629 -8.547 8.468 1.00 0.00 C ATOM 642 C ARG A 42 -1.375 -9.291 7.368 1.00 0.00 C ATOM 643 O ARG A 42 -1.126 -9.053 6.186 1.00 0.00 O ATOM 644 CB ARG A 42 0.322 -9.490 9.251 1.00 0.00 C ATOM 645 CG ARG A 42 1.334 -10.313 8.429 1.00 0.00 C ATOM 646 CD ARG A 42 2.245 -11.121 9.376 1.00 0.00 C ATOM 647 NE ARG A 42 3.099 -12.097 8.662 1.00 0.00 N ATOM 648 CZ ARG A 42 4.427 -12.019 8.463 1.00 0.00 C ATOM 649 NH1 ARG A 42 5.144 -11.031 8.970 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.051 -12.926 7.722 1.00 0.00 N ATOM 0 H ARG A 42 -1.425 -8.328 10.370 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.044 -7.762 7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.880 -8.888 9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.290 -10.185 9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.806 -10.987 7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.937 -9.650 7.808 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.879 -10.433 9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.628 -11.649 10.102 1.00 0.00 H new ATOM 0 HE ARG A 42 2.629 -12.918 8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.691 -10.306 9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.150 -10.994 8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.523 -13.689 7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.058 -12.860 7.576 1.00 0.00 H new ATOM 664 N GLY A 43 -2.301 -10.174 7.748 1.00 0.00 N ATOM 665 CA GLY A 43 -3.008 -11.038 6.813 1.00 0.00 C ATOM 666 C GLY A 43 -3.765 -10.255 5.743 1.00 0.00 C ATOM 667 O GLY A 43 -3.718 -10.636 4.572 1.00 0.00 O ATOM 0 H GLY A 43 -2.580 -10.307 8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.294 -11.706 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.710 -11.665 7.363 1.00 0.00 H new ATOM 671 N LEU A 44 -4.440 -9.159 6.122 1.00 0.00 N ATOM 672 CA LEU A 44 -5.295 -8.403 5.218 1.00 0.00 C ATOM 673 C LEU A 44 -4.392 -7.823 4.134 1.00 0.00 C ATOM 674 O LEU A 44 -4.547 -8.156 2.962 1.00 0.00 O ATOM 675 CB LEU A 44 -6.086 -7.343 6.016 1.00 0.00 C ATOM 676 CG LEU A 44 -7.372 -6.778 5.385 1.00 0.00 C ATOM 677 CD1 LEU A 44 -7.135 -6.087 4.044 1.00 0.00 C ATOM 678 CD2 LEU A 44 -8.456 -7.851 5.234 1.00 0.00 C ATOM 0 H LEU A 44 -4.403 -8.778 7.067 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.050 -9.023 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.350 -7.778 6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.416 -6.507 6.216 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.722 -6.019 6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.082 -5.712 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.444 -5.255 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.709 -6.800 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.345 -7.409 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.087 -8.653 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.707 -8.255 6.215 1.00 0.00 H new ATOM 690 N CYS A 45 -3.389 -7.034 4.526 1.00 0.00 N ATOM 691 CA CYS A 45 -2.394 -6.482 3.641 1.00 0.00 C ATOM 692 C CYS A 45 -1.727 -7.542 2.754 1.00 0.00 C ATOM 693 O CYS A 45 -1.639 -7.321 1.547 1.00 0.00 O ATOM 694 CB CYS A 45 -1.395 -5.727 4.507 1.00 0.00 C ATOM 695 SG CYS A 45 -0.242 -4.684 3.594 1.00 0.00 S ATOM 0 H CYS A 45 -3.254 -6.761 5.500 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.865 -5.803 2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.945 -5.105 5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.825 -6.448 5.093 1.00 0.00 H new ATOM 700 N LYS A 46 -1.260 -8.686 3.281 1.00 0.00 N ATOM 701 CA LYS A 46 -0.616 -9.682 2.406 1.00 0.00 C ATOM 702 C LYS A 46 -1.604 -10.128 1.314 1.00 0.00 C ATOM 703 O LYS A 46 -1.185 -10.245 0.162 1.00 0.00 O ATOM 704 CB LYS A 46 -0.005 -10.886 3.160 1.00 0.00 C ATOM 705 CG LYS A 46 1.144 -10.593 4.154 1.00 0.00 C ATOM 706 CD LYS A 46 2.490 -10.058 3.616 1.00 0.00 C ATOM 707 CE LYS A 46 3.496 -11.118 3.128 1.00 0.00 C ATOM 708 NZ LYS A 46 4.907 -10.648 3.215 1.00 0.00 N ATOM 0 H LYS A 46 -1.311 -8.939 4.268 1.00 0.00 H new ATOM 0 HA LYS A 46 0.239 -9.191 1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.806 -11.383 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.363 -11.596 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.772 -9.872 4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.351 -11.515 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.283 -9.377 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.965 -9.471 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.381 -12.024 3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.268 -11.383 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.498 -11.200 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.954 -9.641 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.256 -10.774 4.187 1.00 0.00 H new ATOM 722 N LYS A 47 -2.900 -10.319 1.617 1.00 0.00 N ATOM 723 CA LYS A 47 -3.893 -10.615 0.576 1.00 0.00 C ATOM 724 C LYS A 47 -4.010 -9.445 -0.397 1.00 0.00 C ATOM 725 O LYS A 47 -4.070 -9.697 -1.599 1.00 0.00 O ATOM 726 CB LYS A 47 -5.265 -11.002 1.172 1.00 0.00 C ATOM 727 CG LYS A 47 -6.300 -11.413 0.095 1.00 0.00 C ATOM 728 CD LYS A 47 -7.199 -10.261 -0.405 1.00 0.00 C ATOM 729 CE LYS A 47 -7.816 -10.522 -1.793 1.00 0.00 C ATOM 730 NZ LYS A 47 -8.827 -11.607 -1.805 1.00 0.00 N ATOM 0 H LYS A 47 -3.279 -10.274 2.563 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.543 -11.486 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.131 -11.827 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.657 -10.160 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.769 -11.838 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.934 -12.201 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.000 -10.097 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.612 -9.343 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.279 -9.603 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.019 -10.773 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.197 -11.726 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.386 -12.495 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.607 -11.362 -1.162 1.00 0.00 H new ATOM 744 N ILE A 48 -4.076 -8.202 0.092 1.00 0.00 N ATOM 745 CA ILE A 48 -4.216 -6.997 -0.733 1.00 0.00 C ATOM 746 C ILE A 48 -3.095 -7.008 -1.762 1.00 0.00 C ATOM 747 O ILE A 48 -3.374 -6.913 -2.949 1.00 0.00 O ATOM 748 CB ILE A 48 -4.197 -5.708 0.131 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.400 -5.652 1.096 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.076 -4.407 -0.688 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.688 -5.052 0.545 1.00 0.00 C ATOM 0 H ILE A 48 -4.033 -8.001 1.091 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.181 -6.999 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.284 -5.771 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.614 -6.666 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.106 -5.079 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.070 -3.551 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.150 -4.423 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.923 -4.326 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.457 -5.069 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.507 -4.022 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.023 -5.635 -0.313 1.00 0.00 H new ATOM 763 N MET A 49 -1.846 -7.169 -1.331 1.00 0.00 N ATOM 764 CA MET A 49 -0.714 -7.121 -2.243 1.00 0.00 C ATOM 765 C MET A 49 -0.711 -8.336 -3.176 1.00 0.00 C ATOM 766 O MET A 49 -0.503 -8.165 -4.371 1.00 0.00 O ATOM 767 CB MET A 49 0.599 -6.989 -1.462 1.00 0.00 C ATOM 768 CG MET A 49 0.635 -5.711 -0.610 1.00 0.00 C ATOM 769 SD MET A 49 0.235 -4.147 -1.420 1.00 0.00 S ATOM 770 CE MET A 49 -0.019 -3.142 0.071 1.00 0.00 C ATOM 0 H MET A 49 -1.596 -7.334 -0.356 1.00 0.00 H new ATOM 0 HA MET A 49 -0.810 -6.237 -2.873 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.726 -7.858 -0.817 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.437 -6.984 -2.159 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.057 -5.844 0.222 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.634 -5.621 -0.183 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.297 -2.128 -0.217 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.815 -3.579 0.673 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.902 -3.115 0.653 1.00 0.00 H new ATOM 780 N ARG A 50 -1.004 -9.561 -2.713 1.00 0.00 N ATOM 781 CA ARG A 50 -1.060 -10.713 -3.635 1.00 0.00 C ATOM 782 C ARG A 50 -2.080 -10.427 -4.742 1.00 0.00 C ATOM 783 O ARG A 50 -1.885 -10.844 -5.881 1.00 0.00 O ATOM 784 CB ARG A 50 -1.391 -12.000 -2.853 1.00 0.00 C ATOM 785 CG ARG A 50 -0.998 -13.341 -3.520 1.00 0.00 C ATOM 786 CD ARG A 50 -2.000 -14.017 -4.477 1.00 0.00 C ATOM 787 NE ARG A 50 -1.844 -13.582 -5.877 1.00 0.00 N ATOM 788 CZ ARG A 50 -1.793 -14.316 -6.997 1.00 0.00 C ATOM 789 NH1 ARG A 50 -1.843 -15.648 -6.960 1.00 0.00 N ATOM 790 NH2 ARG A 50 -1.694 -13.690 -8.167 1.00 0.00 N ATOM 0 H ARG A 50 -1.201 -9.780 -1.736 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.089 -10.865 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.897 -11.945 -1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.464 -12.016 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.073 -13.176 -4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.771 -14.051 -2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.873 -15.098 -4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.015 -13.798 -4.145 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.763 -12.574 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.922 -16.131 -6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.802 -16.184 -7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.658 -12.671 -8.199 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.654 -14.229 -9.032 1.00 0.00 H new ATOM 804 N SER A 51 -3.162 -9.735 -4.400 1.00 0.00 N ATOM 805 CA SER A 51 -4.244 -9.394 -5.300 1.00 0.00 C ATOM 806 C SER A 51 -3.931 -8.168 -6.177 1.00 0.00 C ATOM 807 O SER A 51 -4.331 -8.173 -7.337 1.00 0.00 O ATOM 808 CB SER A 51 -5.480 -9.153 -4.417 1.00 0.00 C ATOM 809 OG SER A 51 -6.709 -9.269 -5.098 1.00 0.00 O ATOM 0 H SER A 51 -3.309 -9.386 -3.453 1.00 0.00 H new ATOM 0 HA SER A 51 -4.410 -10.206 -6.008 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.467 -9.864 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.412 -8.156 -3.981 1.00 0.00 H new ATOM 0 HG SER A 51 -7.104 -8.380 -5.215 1.00 0.00 H new ATOM 815 N PHE A 52 -3.216 -7.144 -5.684 1.00 0.00 N ATOM 816 CA PHE A 52 -3.012 -5.890 -6.416 1.00 0.00 C ATOM 817 C PHE A 52 -1.661 -5.199 -6.116 1.00 0.00 C ATOM 818 O PHE A 52 -1.602 -3.973 -6.179 1.00 0.00 O ATOM 819 CB PHE A 52 -4.131 -4.914 -5.957 1.00 0.00 C ATOM 820 CG PHE A 52 -5.532 -5.456 -5.712 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.342 -5.905 -6.771 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.039 -5.470 -4.397 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.647 -6.361 -6.513 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.345 -5.920 -4.139 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.152 -6.361 -5.200 1.00 0.00 C ATOM 0 H PHE A 52 -2.765 -7.165 -4.769 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.027 -6.126 -7.480 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.796 -4.441 -5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.210 -4.128 -6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.962 -5.899 -7.782 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.418 -5.132 -3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.264 -6.713 -7.326 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.726 -5.927 -3.129 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.159 -6.700 -5.008 1.00 0.00 H new ATOM 835 N LEU A 53 -0.534 -5.902 -5.945 1.00 0.00 N ATOM 836 CA LEU A 53 0.723 -5.262 -5.512 1.00 0.00 C ATOM 837 C LEU A 53 1.184 -4.153 -6.449 1.00 0.00 C ATOM 838 O LEU A 53 1.305 -3.015 -6.001 1.00 0.00 O ATOM 839 CB LEU A 53 1.851 -6.293 -5.304 1.00 0.00 C ATOM 840 CG LEU A 53 3.218 -5.712 -4.883 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.145 -4.784 -3.665 1.00 0.00 C ATOM 842 CD2 LEU A 53 4.144 -6.885 -4.529 1.00 0.00 C ATOM 0 H LEU A 53 -0.463 -6.908 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 53 0.497 -4.798 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.531 -7.007 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.984 -6.851 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 53 3.585 -5.117 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.143 -4.415 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.490 -3.942 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.750 -5.335 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.119 -6.501 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.710 -7.457 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.262 -7.531 -5.399 1.00 0.00 H new ATOM 854 N ARG A 54 1.424 -4.436 -7.734 1.00 0.00 N ATOM 855 CA ARG A 54 1.989 -3.394 -8.591 1.00 0.00 C ATOM 856 C ARG A 54 0.995 -2.232 -8.788 1.00 0.00 C ATOM 857 O ARG A 54 1.416 -1.133 -9.136 1.00 0.00 O ATOM 858 CB ARG A 54 2.559 -3.999 -9.888 1.00 0.00 C ATOM 859 CG ARG A 54 3.598 -3.046 -10.513 1.00 0.00 C ATOM 860 CD ARG A 54 4.491 -3.632 -11.625 1.00 0.00 C ATOM 861 NE ARG A 54 5.190 -4.900 -11.302 1.00 0.00 N ATOM 862 CZ ARG A 54 6.158 -5.117 -10.390 1.00 0.00 C ATOM 863 NH1 ARG A 54 6.508 -4.207 -9.500 1.00 0.00 N ATOM 864 NH2 ARG A 54 6.772 -6.299 -10.353 1.00 0.00 N ATOM 0 H ARG A 54 1.246 -5.333 -8.185 1.00 0.00 H new ATOM 0 HA ARG A 54 2.845 -2.939 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.022 -4.963 -9.675 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.752 -4.183 -10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.069 -2.184 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.244 -2.676 -9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.875 -3.796 -12.509 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.240 -2.886 -11.892 1.00 0.00 H new ATOM 0 HE ARG A 54 4.899 -5.715 -11.842 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.040 -3.301 -9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.246 -4.410 -8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.508 -7.032 -11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.506 -6.471 -9.666 1.00 0.00 H new ATOM 878 N ARG A 55 -0.318 -2.415 -8.538 1.00 0.00 N ATOM 879 CA ARG A 55 -1.259 -1.308 -8.571 1.00 0.00 C ATOM 880 C ARG A 55 -0.851 -0.314 -7.474 1.00 0.00 C ATOM 881 O ARG A 55 -0.778 0.886 -7.715 1.00 0.00 O ATOM 882 CB ARG A 55 -2.707 -1.758 -8.404 1.00 0.00 C ATOM 883 CG ARG A 55 -3.303 -2.275 -9.721 1.00 0.00 C ATOM 884 CD ARG A 55 -4.794 -1.974 -9.890 1.00 0.00 C ATOM 885 NE ARG A 55 -5.114 -0.661 -10.498 1.00 0.00 N ATOM 886 CZ ARG A 55 -6.336 -0.092 -10.582 1.00 0.00 C ATOM 887 NH1 ARG A 55 -7.443 -0.774 -10.295 1.00 0.00 N ATOM 888 NH2 ARG A 55 -6.460 1.186 -10.915 1.00 0.00 N ATOM 0 H ARG A 55 -0.736 -3.318 -8.314 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.217 -0.834 -9.552 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.758 -2.543 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.306 -0.924 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.757 -1.832 -10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.152 -3.353 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.238 -2.757 -10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.271 -2.028 -8.911 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.334 -0.135 -10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.380 -1.749 -10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.354 -0.321 -10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.629 1.745 -11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.386 1.609 -10.977 1.00 0.00 H new ATOM 902 N ILE A 56 -0.559 -0.810 -6.272 1.00 0.00 N ATOM 903 CA ILE A 56 -0.232 0.040 -5.132 1.00 0.00 C ATOM 904 C ILE A 56 1.004 0.888 -5.471 1.00 0.00 C ATOM 905 O ILE A 56 1.091 2.035 -5.044 1.00 0.00 O ATOM 906 CB ILE A 56 -0.074 -0.806 -3.850 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.243 -1.796 -3.632 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.056 0.069 -2.593 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.653 -1.354 -4.058 1.00 0.00 C ATOM 0 H ILE A 56 -0.543 -1.808 -6.063 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.049 0.732 -4.927 1.00 0.00 H new ATOM 0 HB ILE A 56 0.844 -1.373 -4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.006 -2.716 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.277 -2.044 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.165 -0.568 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.932 0.711 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.836 0.686 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.365 -2.151 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.935 -0.457 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.660 -1.140 -5.127 1.00 0.00 H new ATOM 921 N SER A 57 1.904 0.372 -6.310 1.00 0.00 N ATOM 922 CA SER A 57 3.083 1.085 -6.758 1.00 0.00 C ATOM 923 C SER A 57 2.714 2.254 -7.680 1.00 0.00 C ATOM 924 O SER A 57 3.078 3.391 -7.367 1.00 0.00 O ATOM 925 CB SER A 57 4.011 0.067 -7.423 1.00 0.00 C ATOM 926 OG SER A 57 5.281 0.610 -7.613 1.00 0.00 O ATOM 0 H SER A 57 1.825 -0.568 -6.698 1.00 0.00 H new ATOM 0 HA SER A 57 3.602 1.543 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.081 -0.828 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.594 -0.241 -8.382 1.00 0.00 H new ATOM 0 HG SER A 57 5.892 -0.089 -7.928 1.00 0.00 H new ATOM 932 N TRP A 58 1.923 2.018 -8.745 1.00 0.00 N ATOM 933 CA TRP A 58 1.403 3.069 -9.639 1.00 0.00 C ATOM 934 C TRP A 58 0.887 4.244 -8.808 1.00 0.00 C ATOM 935 O TRP A 58 1.159 5.413 -9.096 1.00 0.00 O ATOM 936 CB TRP A 58 0.302 2.524 -10.594 1.00 0.00 C ATOM 937 CG TRP A 58 -1.003 3.294 -10.658 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.155 4.553 -11.133 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.321 2.930 -10.136 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.438 5.002 -10.878 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.193 4.054 -10.222 1.00 0.00 C ATOM 942 CE3 TRP A 58 -2.866 1.771 -9.553 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.495 4.037 -9.684 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.135 1.755 -8.968 1.00 0.00 C ATOM 945 CH2 TRP A 58 -4.942 2.891 -9.003 1.00 0.00 C ATOM 0 H TRP A 58 1.624 1.080 -9.011 1.00 0.00 H new ATOM 0 HA TRP A 58 2.220 3.416 -10.271 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.719 2.481 -11.600 1.00 0.00 H new ATOM 0 HB3 TRP A 58 0.076 1.499 -10.299 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.388 5.122 -11.637 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.784 5.924 -11.144 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.283 0.862 -9.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.142 4.895 -9.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.493 0.857 -8.486 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -5.903 2.891 -8.511 1.00 0.00 H new ATOM 956 N ASP A 59 0.071 3.920 -7.809 1.00 0.00 N ATOM 957 CA ASP A 59 -0.489 4.883 -6.891 1.00 0.00 C ATOM 958 C ASP A 59 0.529 5.806 -6.245 1.00 0.00 C ATOM 959 O ASP A 59 0.358 7.018 -6.366 1.00 0.00 O ATOM 960 CB ASP A 59 -1.363 4.203 -5.855 1.00 0.00 C ATOM 961 CG ASP A 59 -2.707 3.877 -6.466 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.390 4.809 -6.944 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.191 2.618 -6.476 1.00 0.00 O ATOM 0 H ASP A 59 -0.219 2.961 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.111 5.538 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.882 3.292 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.493 4.853 -4.990 1.00 0.00 H new ATOM 969 N ILE A 60 1.507 5.273 -5.502 1.00 0.00 N ATOM 970 CA ILE A 60 2.446 6.117 -4.756 1.00 0.00 C ATOM 971 C ILE A 60 3.222 6.999 -5.742 1.00 0.00 C ATOM 972 O ILE A 60 3.392 8.189 -5.497 1.00 0.00 O ATOM 973 CB ILE A 60 3.399 5.300 -3.853 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.699 4.245 -2.968 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.186 6.246 -2.927 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.427 4.672 -2.238 1.00 0.00 C ATOM 0 H ILE A 60 1.667 4.271 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 60 1.871 6.748 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 60 4.051 4.763 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.456 3.387 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.416 3.902 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.855 5.663 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.771 6.941 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.490 6.805 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.043 3.834 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.652 5.505 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.677 4.982 -2.965 1.00 0.00 H new ATOM 988 N LEU A 61 3.648 6.433 -6.876 1.00 0.00 N ATOM 989 CA LEU A 61 4.373 7.161 -7.918 1.00 0.00 C ATOM 990 C LEU A 61 3.538 8.323 -8.448 1.00 0.00 C ATOM 991 O LEU A 61 4.050 9.420 -8.635 1.00 0.00 O ATOM 992 CB LEU A 61 4.732 6.219 -9.075 1.00 0.00 C ATOM 993 CG LEU A 61 5.675 5.073 -8.669 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.646 4.001 -9.759 1.00 0.00 C ATOM 995 CD2 LEU A 61 7.108 5.558 -8.431 1.00 0.00 C ATOM 0 H LEU A 61 3.497 5.449 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 61 5.288 7.557 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.815 5.795 -9.485 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.200 6.798 -9.871 1.00 0.00 H new ATOM 0 HG LEU A 61 5.325 4.658 -7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.311 3.183 -9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.630 3.622 -9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.976 4.433 -10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.736 4.713 -8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.497 6.007 -9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.113 6.299 -7.632 1.00 0.00 H new ATOM 1007 N THR A 62 2.237 8.110 -8.657 1.00 0.00 N ATOM 1008 CA THR A 62 1.309 9.163 -9.058 1.00 0.00 C ATOM 1009 C THR A 62 0.705 9.867 -7.825 1.00 0.00 C ATOM 1010 O THR A 62 -0.451 10.306 -7.873 1.00 0.00 O ATOM 1011 CB THR A 62 0.283 8.611 -10.068 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.509 7.554 -9.548 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.947 8.113 -11.356 1.00 0.00 C ATOM 0 H THR A 62 1.798 7.196 -8.551 1.00 0.00 H new ATOM 0 HA THR A 62 1.842 9.952 -9.588 1.00 0.00 H new ATOM 0 HB THR A 62 -0.363 9.462 -10.284 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.068 6.796 -9.317 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.184 7.734 -12.036 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.480 8.936 -11.832 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.650 7.315 -11.118 1.00 0.00 H new ATOM 1021 N GLY A 63 1.465 9.924 -6.721 1.00 0.00 N ATOM 1022 CA GLY A 63 1.189 10.536 -5.426 1.00 0.00 C ATOM 1023 C GLY A 63 -0.270 10.458 -5.011 1.00 0.00 C ATOM 1024 O GLY A 63 -0.834 11.453 -4.546 1.00 0.00 O ATOM 0 H GLY A 63 2.389 9.492 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.800 10.048 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.493 11.582 -5.457 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.898 9.279 -5.096 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.326 9.232 -4.836 1.00 0.00 C ATOM 1030 C LYS A 64 -2.472 9.020 -3.343 1.00 0.00 C ATOM 1031 O LYS A 64 -1.694 8.317 -2.707 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.870 8.029 -5.606 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.370 8.074 -5.900 1.00 0.00 C ATOM 1034 CD LYS A 64 -4.719 8.928 -7.136 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.063 8.399 -8.428 1.00 0.00 C ATOM 1036 NZ LYS A 64 -2.796 9.093 -8.776 1.00 0.00 N ATOM 0 H LYS A 64 -0.459 8.389 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.860 10.132 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.332 7.948 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.654 7.125 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.735 7.058 -6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.893 8.473 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.801 8.949 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.399 9.956 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.865 7.333 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.766 8.507 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.090 8.393 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.971 9.768 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.440 9.604 -7.943 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.477 9.660 -2.762 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.706 9.515 -1.324 1.00 0.00 C ATOM 1052 C LYS A 65 -4.268 8.134 -0.973 1.00 0.00 C ATOM 1053 O LYS A 65 -5.067 7.616 -1.746 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.457 10.747 -0.796 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.610 12.041 -0.915 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.226 12.024 -0.220 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.072 11.516 -1.112 1.00 0.00 C ATOM 1058 NZ LYS A 65 0.179 11.287 -0.357 1.00 0.00 N ATOM 0 H LYS A 65 -4.135 10.271 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.766 9.516 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.387 10.870 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.728 10.586 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.458 12.254 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.189 12.868 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.990 13.033 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.286 11.395 0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.374 10.587 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.885 12.241 -1.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.776 10.608 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.690 12.187 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.048 10.905 0.583 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.126 7.655 0.274 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.506 6.308 0.696 1.00 0.00 C ATOM 1074 C PRO A 66 -6.001 6.057 0.577 1.00 0.00 C ATOM 1075 O PRO A 66 -6.418 5.081 -0.036 1.00 0.00 O ATOM 1076 CB PRO A 66 -3.990 6.153 2.135 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.699 7.578 2.589 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.288 8.244 1.287 1.00 0.00 C ATOM 0 HA PRO A 66 -4.062 5.557 0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.733 5.676 2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.094 5.534 2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.575 8.052 3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.905 7.615 3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.431 9.324 1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.233 8.071 1.073 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.821 6.929 1.164 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.263 6.735 1.163 1.00 0.00 C ATOM 1088 C GLN A 67 -8.816 6.713 -0.270 1.00 0.00 C ATOM 1089 O GLN A 67 -9.745 5.958 -0.542 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.901 7.812 2.055 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.305 7.425 2.537 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.764 8.325 3.684 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -10.108 8.397 4.721 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.871 9.033 3.535 1.00 0.00 N ATOM 0 H GLN A 67 -6.508 7.773 1.644 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.520 5.762 1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.260 7.989 2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.957 8.750 1.502 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.010 7.499 1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.306 6.385 2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.407 8.965 2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.189 9.647 4.285 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.206 7.472 -1.188 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.616 7.512 -2.587 1.00 0.00 C ATOM 1105 C ALA A 68 -8.091 6.287 -3.334 1.00 0.00 C ATOM 1106 O ALA A 68 -8.854 5.713 -4.104 1.00 0.00 O ATOM 1107 CB ALA A 68 -8.104 8.799 -3.242 1.00 0.00 C ATOM 0 H ALA A 68 -7.412 8.076 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.705 7.500 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.413 8.823 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.518 9.662 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.016 8.828 -3.185 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.850 5.845 -3.071 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.313 4.607 -3.653 1.00 0.00 C ATOM 1115 C ILE A 69 -7.298 3.473 -3.411 1.00 0.00 C ATOM 1116 O ILE A 69 -7.662 2.733 -4.322 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.943 4.258 -3.016 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.880 5.250 -3.491 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.521 2.805 -3.338 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.617 5.245 -2.627 1.00 0.00 C ATOM 0 H ILE A 69 -6.198 6.331 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.170 4.749 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.041 4.335 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.608 5.015 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.305 6.254 -3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.556 2.595 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.268 2.114 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.440 2.680 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.905 5.971 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.876 5.509 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.169 4.252 -2.644 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.697 3.330 -2.153 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.595 2.287 -1.743 1.00 0.00 C ATOM 1134 C CYS A 70 -9.935 2.410 -2.468 1.00 0.00 C ATOM 1135 O CYS A 70 -10.465 1.365 -2.811 1.00 0.00 O ATOM 1136 CB CYS A 70 -8.704 2.337 -0.222 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.111 2.084 0.604 1.00 0.00 S ATOM 0 H CYS A 70 -7.399 3.943 -1.394 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.217 1.303 -2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.114 3.302 0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.407 1.574 0.113 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.521 3.591 -2.713 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.763 3.615 -3.502 1.00 0.00 C ATOM 1144 C VAL A 71 -11.487 3.200 -4.955 1.00 0.00 C ATOM 1145 O VAL A 71 -12.276 2.417 -5.470 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.548 4.942 -3.414 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.916 4.816 -4.123 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.895 5.297 -1.966 1.00 0.00 C ATOM 0 H VAL A 71 -10.179 4.498 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.426 2.878 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.907 5.695 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.453 5.762 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.760 4.568 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.501 4.029 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.447 6.237 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.508 4.506 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.977 5.402 -1.387 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.388 3.646 -5.583 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.079 3.355 -6.996 1.00 0.00 C ATOM 1160 C ASP A 72 -10.125 1.854 -7.254 1.00 0.00 C ATOM 1161 O ASP A 72 -10.891 1.366 -8.084 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.691 3.904 -7.379 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.286 3.632 -8.841 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.215 2.450 -9.264 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.860 4.600 -9.502 1.00 0.00 O ATOM 0 H ASP A 72 -9.683 4.222 -5.124 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.832 3.847 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.677 4.980 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.944 3.464 -6.719 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.328 1.102 -6.493 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.186 -0.332 -6.731 1.00 0.00 C ATOM 1172 C ILE A 73 -10.318 -1.132 -6.039 1.00 0.00 C ATOM 1173 O ILE A 73 -10.358 -2.360 -6.107 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.753 -0.761 -6.374 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.498 -0.755 -4.860 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.724 0.156 -7.064 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.066 -1.161 -4.534 1.00 0.00 C ATOM 0 H ILE A 73 -8.776 1.460 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.316 -0.566 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.639 -1.784 -6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.695 0.240 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.192 -1.438 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.716 -0.164 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.851 0.097 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.876 1.185 -6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.920 -1.146 -3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.878 -2.166 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.374 -0.462 -5.003 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.233 -0.410 -5.386 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.487 -0.780 -4.726 1.00 0.00 C ATOM 1191 C LYS A 74 -12.258 -1.588 -3.462 1.00 0.00 C ATOM 1192 O LYS A 74 -12.421 -2.809 -3.430 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.509 -1.413 -5.684 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.891 -1.399 -4.995 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.868 -2.491 -5.454 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.352 -3.937 -5.339 1.00 0.00 C ATOM 1197 NZ LYS A 74 -14.706 -4.238 -4.041 1.00 0.00 N ATOM 0 H LYS A 74 -11.087 0.596 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.948 0.153 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.546 -0.858 -6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.217 -2.434 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.743 -1.497 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.353 -0.427 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.784 -2.403 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.135 -2.301 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.186 -4.624 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.638 -4.123 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.429 -5.240 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.861 -3.642 -3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.373 -4.043 -3.268 1.00 0.00 H new ATOM 1211 N ILE A 75 -11.866 -0.867 -2.424 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.588 -1.297 -1.067 1.00 0.00 C ATOM 1213 C ILE A 75 -12.096 -0.231 -0.071 1.00 0.00 C ATOM 1214 O ILE A 75 -12.409 -0.559 1.070 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.068 -1.573 -0.947 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.572 -2.532 -2.056 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.726 -2.162 0.425 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.087 -2.855 -1.974 1.00 0.00 C ATOM 0 H ILE A 75 -11.720 0.138 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.114 -2.220 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.561 -0.615 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.139 -3.461 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.784 -2.088 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.653 -2.347 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.017 -1.459 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.264 -3.100 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.817 -3.532 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.509 -1.935 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.870 -3.330 -1.017 1.00 0.00 H new