USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 24 THR OG1 : rot -44:sc= 0.0625 USER MOD Set 2.2: A 99 ASN : amide:sc= 0.058 X(o=0.12,f=-0.066) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0.902 (180deg=0.858) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.92 K(o=1.9,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 1.1 (180deg=1.09) USER MOD Single : A 50 SER OG : rot -10:sc= 0.243 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 150:sc= 1.04 (180deg=-0.366!) USER MOD Single : A 63 MET CE :methyl -179:sc= -2.21 (180deg=-2.25) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 76 CYS SG : rot 39:sc=-0.00894 USER MOD Single : A 80 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-0.9) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 82 HIS : no HE2:sc= -0.659 K(o=-0.66,f=-3.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 69:sc= 1.25 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 121:sc= 1.23 USER MOD Single : A 106 TYR OH : rot 180:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.941 -14.442 -4.501 1.00 0.00 N ATOM 86 CA PHE A 9 8.665 -13.756 -4.291 1.00 0.00 C ATOM 87 C PHE A 9 7.766 -14.471 -3.261 1.00 0.00 C ATOM 88 O PHE A 9 8.078 -15.558 -2.766 1.00 0.00 O ATOM 89 CB PHE A 9 8.042 -13.504 -5.676 1.00 0.00 C ATOM 90 CG PHE A 9 6.616 -12.972 -5.734 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.540 -13.866 -5.571 1.00 0.00 C ATOM 92 CD2 PHE A 9 6.348 -11.608 -5.988 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.222 -13.407 -5.690 1.00 0.00 C ATOM 94 CE2 PHE A 9 5.017 -11.159 -6.112 1.00 0.00 C ATOM 95 CZ PHE A 9 3.967 -12.073 -5.970 1.00 0.00 C ATOM 0 HA PHE A 9 8.811 -12.786 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.683 -12.800 -6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.071 -14.442 -6.231 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.731 -14.907 -5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.164 -10.908 -6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.400 -14.096 -5.563 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.810 -10.119 -6.315 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.947 -11.736 -6.080 1.00 0.00 H new ATOM 105 N THR A 10 6.654 -13.842 -2.892 1.00 0.00 N ATOM 106 CA THR A 10 5.641 -14.386 -1.999 1.00 0.00 C ATOM 107 C THR A 10 4.755 -15.400 -2.753 1.00 0.00 C ATOM 108 O THR A 10 5.293 -16.406 -3.215 1.00 0.00 O ATOM 109 CB THR A 10 4.924 -13.197 -1.335 1.00 0.00 C ATOM 110 OG1 THR A 10 5.880 -12.292 -0.828 1.00 0.00 O ATOM 111 CG2 THR A 10 4.069 -13.596 -0.131 1.00 0.00 C ATOM 0 H THR A 10 6.427 -12.903 -3.221 1.00 0.00 H new ATOM 0 HA THR A 10 6.059 -14.979 -1.186 1.00 0.00 H new ATOM 0 HB THR A 10 4.289 -12.771 -2.112 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.422 -11.535 -0.407 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.593 -12.709 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.303 -14.304 -0.447 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.701 -14.060 0.626 1.00 0.00 H new ATOM 119 N ARG A 11 3.437 -15.144 -2.866 1.00 0.00 N ATOM 120 CA ARG A 11 2.317 -15.804 -3.563 1.00 0.00 C ATOM 121 C ARG A 11 1.056 -15.915 -2.709 1.00 0.00 C ATOM 122 O ARG A 11 -0.030 -15.983 -3.277 1.00 0.00 O ATOM 123 CB ARG A 11 2.661 -17.166 -4.183 1.00 0.00 C ATOM 124 CG ARG A 11 3.281 -16.998 -5.583 1.00 0.00 C ATOM 125 CD ARG A 11 4.378 -18.008 -5.917 1.00 0.00 C ATOM 126 NE ARG A 11 3.846 -19.369 -5.978 1.00 0.00 N ATOM 127 CZ ARG A 11 4.351 -20.477 -5.434 1.00 0.00 C ATOM 128 NH1 ARG A 11 5.486 -20.474 -4.734 1.00 0.00 N ATOM 129 NH2 ARG A 11 3.665 -21.596 -5.610 1.00 0.00 N ATOM 0 H ARG A 11 3.075 -14.322 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 11 2.109 -15.128 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.357 -17.698 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.760 -17.776 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.490 -17.080 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.694 -15.992 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.834 -17.750 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.165 -17.956 -5.164 1.00 0.00 H new ATOM 0 HE ARG A 11 2.979 -19.485 -6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.000 -19.603 -4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.840 -21.342 -4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.794 -21.582 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.007 -22.472 -5.215 1.00 0.00 H new ATOM 143 N ASP A 12 1.150 -15.881 -1.377 1.00 0.00 N ATOM 144 CA ASP A 12 -0.045 -16.048 -0.531 1.00 0.00 C ATOM 145 C ASP A 12 -0.044 -15.161 0.712 1.00 0.00 C ATOM 146 O ASP A 12 -0.767 -15.410 1.667 1.00 0.00 O ATOM 147 CB ASP A 12 -0.204 -17.524 -0.153 1.00 0.00 C ATOM 148 CG ASP A 12 -1.666 -17.853 0.163 1.00 0.00 C ATOM 149 OD1 ASP A 12 -2.508 -17.657 -0.747 1.00 0.00 O ATOM 150 OD2 ASP A 12 -1.953 -18.376 1.263 1.00 0.00 O ATOM 0 H ASP A 12 2.021 -15.742 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.902 -15.722 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.146 -18.153 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.419 -17.751 0.712 1.00 0.00 H new ATOM 155 N ALA A 13 0.821 -14.143 0.738 1.00 0.00 N ATOM 156 CA ALA A 13 1.076 -13.238 1.862 1.00 0.00 C ATOM 157 C ALA A 13 1.592 -13.934 3.141 1.00 0.00 C ATOM 158 O ALA A 13 1.980 -13.254 4.092 1.00 0.00 O ATOM 159 CB ALA A 13 -0.158 -12.363 2.117 1.00 0.00 C ATOM 0 H ALA A 13 1.396 -13.915 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 13 1.907 -12.596 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.038 -11.693 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.378 -11.776 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.012 -12.998 2.353 1.00 0.00 H new ATOM 165 N SER A 14 1.653 -15.267 3.188 1.00 0.00 N ATOM 166 CA SER A 14 1.982 -15.999 4.399 1.00 0.00 C ATOM 167 C SER A 14 3.474 -15.897 4.745 1.00 0.00 C ATOM 168 O SER A 14 3.812 -15.956 5.925 1.00 0.00 O ATOM 169 CB SER A 14 1.499 -17.451 4.263 1.00 0.00 C ATOM 170 OG SER A 14 1.181 -17.991 5.529 1.00 0.00 O ATOM 0 H SER A 14 1.474 -15.865 2.381 1.00 0.00 H new ATOM 0 HA SER A 14 1.460 -15.546 5.242 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.623 -17.489 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.273 -18.054 3.789 1.00 0.00 H new ATOM 0 HG SER A 14 0.874 -18.916 5.423 1.00 0.00 H new ATOM 176 N GLN A 15 4.365 -15.673 3.769 1.00 0.00 N ATOM 177 CA GLN A 15 5.788 -15.445 4.056 1.00 0.00 C ATOM 178 C GLN A 15 6.044 -14.084 4.712 1.00 0.00 C ATOM 179 O GLN A 15 7.180 -13.816 5.117 1.00 0.00 O ATOM 180 CB GLN A 15 6.651 -15.528 2.781 1.00 0.00 C ATOM 181 CG GLN A 15 7.043 -16.958 2.409 1.00 0.00 C ATOM 182 CD GLN A 15 8.202 -16.979 1.414 1.00 0.00 C ATOM 183 OE1 GLN A 15 8.025 -17.289 0.241 1.00 0.00 O ATOM 184 NE2 GLN A 15 9.418 -16.636 1.824 1.00 0.00 N ATOM 0 H GLN A 15 4.127 -15.645 2.778 1.00 0.00 H new ATOM 0 HA GLN A 15 6.070 -16.237 4.749 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.104 -15.081 1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.555 -14.936 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.324 -17.505 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.183 -17.472 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.574 -16.377 2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.196 -16.632 1.165 1.00 0.00 H new ATOM 193 N LEU A 16 5.058 -13.181 4.751 1.00 0.00 N ATOM 194 CA LEU A 16 5.341 -11.835 5.216 1.00 0.00 C ATOM 195 C LEU A 16 5.660 -11.864 6.700 1.00 0.00 C ATOM 196 O LEU A 16 5.035 -12.585 7.485 1.00 0.00 O ATOM 197 CB LEU A 16 4.218 -10.846 4.901 1.00 0.00 C ATOM 198 CG LEU A 16 3.980 -10.588 3.399 1.00 0.00 C ATOM 199 CD1 LEU A 16 3.204 -9.271 3.286 1.00 0.00 C ATOM 200 CD2 LEU A 16 5.266 -10.487 2.569 1.00 0.00 C ATOM 0 H LEU A 16 4.092 -13.356 4.475 1.00 0.00 H new ATOM 0 HA LEU A 16 6.212 -11.472 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.293 -11.217 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.444 -9.896 5.386 1.00 0.00 H new ATOM 0 HG LEU A 16 3.433 -11.440 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.014 -9.050 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.256 -9.361 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.790 -8.464 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.012 -10.305 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.876 -9.665 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.825 -11.419 2.649 1.00 0.00 H new ATOM 212 N LYS A 17 6.645 -11.064 7.093 1.00 0.00 N ATOM 213 CA LYS A 17 7.157 -10.985 8.428 1.00 0.00 C ATOM 214 C LYS A 17 6.878 -9.562 8.858 1.00 0.00 C ATOM 215 O LYS A 17 7.373 -8.596 8.272 1.00 0.00 O ATOM 216 CB LYS A 17 8.609 -11.442 8.379 1.00 0.00 C ATOM 217 CG LYS A 17 9.511 -10.799 9.411 1.00 0.00 C ATOM 218 CD LYS A 17 9.087 -11.143 10.841 1.00 0.00 C ATOM 219 CE LYS A 17 10.234 -10.791 11.777 1.00 0.00 C ATOM 220 NZ LYS A 17 9.940 -11.201 13.155 1.00 0.00 N ATOM 0 H LYS A 17 7.120 -10.430 6.450 1.00 0.00 H new ATOM 0 HA LYS A 17 6.703 -11.632 9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.640 -12.523 8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.008 -11.232 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.538 -11.127 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.498 -9.717 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.190 -10.588 11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.844 -12.202 10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.147 -11.279 11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.416 -9.717 11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.739 -10.948 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.082 -10.716 13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.790 -12.230 13.187 1.00 0.00 H new ATOM 234 N GLY A 18 5.990 -9.488 9.829 1.00 0.00 N ATOM 235 CA GLY A 18 5.203 -8.317 10.151 1.00 0.00 C ATOM 236 C GLY A 18 3.886 -8.761 10.779 1.00 0.00 C ATOM 237 O GLY A 18 3.688 -9.960 11.008 1.00 0.00 O ATOM 0 H GLY A 18 5.789 -10.278 10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.750 -7.673 10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.013 -7.732 9.251 1.00 0.00 H new ATOM 241 N THR A 19 2.983 -7.820 11.056 1.00 0.00 N ATOM 242 CA THR A 19 1.722 -8.106 11.729 1.00 0.00 C ATOM 243 C THR A 19 0.593 -7.570 10.850 1.00 0.00 C ATOM 244 O THR A 19 0.740 -6.518 10.232 1.00 0.00 O ATOM 245 CB THR A 19 1.768 -7.509 13.143 1.00 0.00 C ATOM 246 OG1 THR A 19 2.971 -7.886 13.800 1.00 0.00 O ATOM 247 CG2 THR A 19 0.602 -7.967 14.020 1.00 0.00 C ATOM 0 H THR A 19 3.109 -6.836 10.818 1.00 0.00 H new ATOM 0 HA THR A 19 1.544 -9.173 11.861 1.00 0.00 H new ATOM 0 HB THR A 19 1.707 -6.429 13.013 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.988 -7.497 14.699 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.689 -7.513 15.007 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.339 -7.663 13.562 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.624 -9.052 14.117 1.00 0.00 H new ATOM 255 N PHE A 20 -0.498 -8.323 10.737 1.00 0.00 N ATOM 256 CA PHE A 20 -1.572 -8.126 9.774 1.00 0.00 C ATOM 257 C PHE A 20 -2.784 -7.521 10.451 1.00 0.00 C ATOM 258 O PHE A 20 -3.186 -7.950 11.540 1.00 0.00 O ATOM 259 CB PHE A 20 -1.971 -9.483 9.175 1.00 0.00 C ATOM 260 CG PHE A 20 -1.161 -9.906 7.973 1.00 0.00 C ATOM 261 CD1 PHE A 20 0.116 -10.476 8.126 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.709 -9.749 6.689 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.853 -10.867 6.995 1.00 0.00 C ATOM 264 CE2 PHE A 20 -0.980 -10.157 5.565 1.00 0.00 C ATOM 265 CZ PHE A 20 0.307 -10.697 5.710 1.00 0.00 C ATOM 0 H PHE A 20 -0.663 -9.125 11.345 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.221 -7.452 8.992 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.877 -10.247 9.947 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.023 -9.444 8.892 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.531 -10.613 9.114 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.690 -9.315 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.837 -11.297 7.112 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.411 -10.055 4.580 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.877 -10.981 4.838 1.00 0.00 H new ATOM 275 N LEU A 21 -3.391 -6.560 9.766 1.00 0.00 N ATOM 276 CA LEU A 21 -4.640 -5.925 10.101 1.00 0.00 C ATOM 277 C LEU A 21 -5.313 -5.440 8.815 1.00 0.00 C ATOM 278 O LEU A 21 -4.740 -5.503 7.725 1.00 0.00 O ATOM 279 CB LEU A 21 -4.390 -4.769 11.084 1.00 0.00 C ATOM 280 CG LEU A 21 -3.169 -3.842 10.893 1.00 0.00 C ATOM 281 CD1 LEU A 21 -1.812 -4.403 11.334 1.00 0.00 C ATOM 282 CD2 LEU A 21 -3.079 -3.261 9.486 1.00 0.00 C ATOM 0 H LEU A 21 -2.990 -6.185 8.906 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.307 -6.635 10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.279 -4.139 11.076 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.315 -5.202 12.081 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.381 -3.037 11.597 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.035 -3.661 11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.844 -4.639 12.398 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.591 -5.308 10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.202 -2.618 9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.996 -4.072 8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.975 -2.677 9.276 1.00 0.00 H new ATOM 294 N SER A 22 -6.522 -4.913 8.957 1.00 0.00 N ATOM 295 CA SER A 22 -7.284 -4.319 7.875 1.00 0.00 C ATOM 296 C SER A 22 -7.905 -2.994 8.324 1.00 0.00 C ATOM 297 O SER A 22 -7.869 -2.657 9.514 1.00 0.00 O ATOM 298 CB SER A 22 -8.306 -5.333 7.354 1.00 0.00 C ATOM 299 OG SER A 22 -9.065 -5.949 8.381 1.00 0.00 O ATOM 0 H SER A 22 -7.009 -4.888 9.853 1.00 0.00 H new ATOM 0 HA SER A 22 -6.629 -4.073 7.039 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.984 -4.832 6.663 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.785 -6.104 6.786 1.00 0.00 H new ATOM 0 HG SER A 22 -9.699 -6.583 7.984 1.00 0.00 H new ATOM 305 N THR A 23 -8.466 -2.242 7.380 1.00 0.00 N ATOM 306 CA THR A 23 -9.275 -1.061 7.627 1.00 0.00 C ATOM 307 C THR A 23 -10.300 -0.947 6.493 1.00 0.00 C ATOM 308 O THR A 23 -10.047 -1.393 5.372 1.00 0.00 O ATOM 309 CB THR A 23 -8.352 0.169 7.784 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.062 1.359 8.069 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.496 0.489 6.554 1.00 0.00 C ATOM 0 H THR A 23 -8.363 -2.450 6.387 1.00 0.00 H new ATOM 0 HA THR A 23 -9.835 -1.127 8.560 1.00 0.00 H new ATOM 0 HB THR A 23 -7.713 -0.132 8.615 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.431 2.103 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.882 1.366 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.852 -0.361 6.328 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.145 0.689 5.701 1.00 0.00 H new ATOM 319 N THR A 24 -11.441 -0.314 6.767 1.00 0.00 N ATOM 320 CA THR A 24 -12.491 -0.069 5.796 1.00 0.00 C ATOM 321 C THR A 24 -12.600 1.442 5.628 1.00 0.00 C ATOM 322 O THR A 24 -13.122 2.125 6.518 1.00 0.00 O ATOM 323 CB THR A 24 -13.810 -0.706 6.266 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.658 -2.078 6.543 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.882 -0.579 5.185 1.00 0.00 C ATOM 0 H THR A 24 -11.659 0.049 7.695 1.00 0.00 H new ATOM 0 HA THR A 24 -12.262 -0.524 4.832 1.00 0.00 H new ATOM 0 HB THR A 24 -14.103 -0.176 7.172 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.125 -2.497 5.836 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.808 -1.035 5.535 1.00 0.00 H new ATOM 0 HG22 THR A 24 -15.056 0.475 4.967 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.548 -1.086 4.280 1.00 0.00 H new ATOM 333 N LEU A 25 -12.113 1.994 4.515 1.00 0.00 N ATOM 334 CA LEU A 25 -12.176 3.434 4.270 1.00 0.00 C ATOM 335 C LEU A 25 -13.355 3.720 3.357 1.00 0.00 C ATOM 336 O LEU A 25 -13.505 3.067 2.320 1.00 0.00 O ATOM 337 CB LEU A 25 -10.897 3.981 3.619 1.00 0.00 C ATOM 338 CG LEU A 25 -9.594 3.925 4.444 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.771 5.171 4.135 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.769 3.887 5.969 1.00 0.00 C ATOM 0 H LEU A 25 -11.669 1.462 3.767 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.288 3.929 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.731 3.432 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.077 5.021 3.346 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.120 2.987 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.846 5.148 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.536 5.197 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.342 6.060 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.790 3.849 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.298 4.782 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.343 3.003 6.247 1.00 0.00 H new ATOM 352 N LYS A 26 -14.170 4.716 3.708 1.00 0.00 N ATOM 353 CA LYS A 26 -15.183 5.260 2.816 1.00 0.00 C ATOM 354 C LYS A 26 -14.506 6.276 1.900 1.00 0.00 C ATOM 355 O LYS A 26 -13.536 6.940 2.282 1.00 0.00 O ATOM 356 CB LYS A 26 -16.351 5.828 3.642 1.00 0.00 C ATOM 357 CG LYS A 26 -17.529 6.297 2.773 1.00 0.00 C ATOM 358 CD LYS A 26 -18.759 6.697 3.601 1.00 0.00 C ATOM 359 CE LYS A 26 -19.523 5.463 4.107 1.00 0.00 C ATOM 360 NZ LYS A 26 -20.807 5.820 4.747 1.00 0.00 N ATOM 0 H LYS A 26 -14.142 5.166 4.623 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.625 4.494 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.701 5.066 4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.992 6.665 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.212 7.147 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.805 5.500 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -18.446 7.305 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -19.422 7.314 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.711 4.788 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.902 4.922 4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -21.285 4.955 5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.628 6.443 5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -21.412 6.313 4.060 1.00 0.00 H new ATOM 374 N LYS A 27 -14.983 6.371 0.662 1.00 0.00 N ATOM 375 CA LYS A 27 -14.486 7.297 -0.339 1.00 0.00 C ATOM 376 C LYS A 27 -15.049 8.681 -0.031 1.00 0.00 C ATOM 377 O LYS A 27 -15.987 9.132 -0.692 1.00 0.00 O ATOM 378 CB LYS A 27 -14.846 6.789 -1.745 1.00 0.00 C ATOM 379 CG LYS A 27 -14.154 7.636 -2.829 1.00 0.00 C ATOM 380 CD LYS A 27 -13.216 6.780 -3.685 1.00 0.00 C ATOM 381 CE LYS A 27 -12.646 7.591 -4.852 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.364 7.047 -5.342 1.00 0.00 N ATOM 0 H LYS A 27 -15.748 5.787 0.323 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.399 7.367 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.547 5.746 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.927 6.826 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.906 8.103 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.589 8.441 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.401 6.400 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.756 5.914 -4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.368 7.604 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.502 8.625 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.095 7.532 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.626 7.197 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.466 6.028 -5.525 1.00 0.00 H new ATOM 396 N SER A 28 -14.470 9.330 0.973 1.00 0.00 N ATOM 397 CA SER A 28 -14.769 10.696 1.346 1.00 0.00 C ATOM 398 C SER A 28 -14.386 11.597 0.176 1.00 0.00 C ATOM 399 O SER A 28 -13.203 11.706 -0.147 1.00 0.00 O ATOM 400 CB SER A 28 -13.982 11.056 2.612 1.00 0.00 C ATOM 401 OG SER A 28 -14.563 12.143 3.300 1.00 0.00 O ATOM 0 H SER A 28 -13.758 8.901 1.564 1.00 0.00 H new ATOM 0 HA SER A 28 -15.829 10.825 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.939 10.189 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.955 11.303 2.343 1.00 0.00 H new ATOM 0 HG SER A 28 -14.036 12.342 4.102 1.00 0.00 H new ATOM 407 N ASN A 29 -15.376 12.255 -0.432 1.00 0.00 N ATOM 408 CA ASN A 29 -15.262 13.313 -1.438 1.00 0.00 C ATOM 409 C ASN A 29 -14.256 12.966 -2.543 1.00 0.00 C ATOM 410 O ASN A 29 -14.602 12.344 -3.551 1.00 0.00 O ATOM 411 CB ASN A 29 -14.941 14.669 -0.766 1.00 0.00 C ATOM 412 CG ASN A 29 -15.998 15.145 0.218 1.00 0.00 C ATOM 413 OD1 ASN A 29 -17.044 15.637 -0.185 1.00 0.00 O ATOM 414 ND2 ASN A 29 -15.765 15.003 1.515 1.00 0.00 N ATOM 0 H ASN A 29 -16.351 12.046 -0.218 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.230 13.402 -1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.987 14.586 -0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.816 15.425 -1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.463 15.306 2.195 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.888 14.591 1.833 1.00 0.00 H new ATOM 421 N MET A 30 -13.002 13.370 -2.356 1.00 0.00 N ATOM 422 CA MET A 30 -11.854 13.114 -3.204 1.00 0.00 C ATOM 423 C MET A 30 -11.693 11.621 -3.473 1.00 0.00 C ATOM 424 O MET A 30 -11.663 11.186 -4.625 1.00 0.00 O ATOM 425 CB MET A 30 -10.606 13.652 -2.491 1.00 0.00 C ATOM 426 CG MET A 30 -10.644 15.174 -2.351 1.00 0.00 C ATOM 427 SD MET A 30 -9.189 15.880 -1.543 1.00 0.00 S ATOM 428 CE MET A 30 -8.618 16.950 -2.884 1.00 0.00 C ATOM 0 H MET A 30 -12.749 13.929 -1.541 1.00 0.00 H new ATOM 0 HA MET A 30 -11.994 13.611 -4.164 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.528 13.198 -1.503 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.715 13.360 -3.047 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.746 15.616 -3.342 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.532 15.454 -1.784 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.717 17.477 -2.570 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.397 16.345 -3.763 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.395 17.674 -3.128 1.00 0.00 H new ATOM 438 N GLY A 31 -11.592 10.814 -2.421 1.00 0.00 N ATOM 439 CA GLY A 31 -10.812 9.599 -2.468 1.00 0.00 C ATOM 440 C GLY A 31 -10.208 9.304 -1.107 1.00 0.00 C ATOM 441 O GLY A 31 -10.379 10.050 -0.140 1.00 0.00 O ATOM 0 H GLY A 31 -12.046 10.988 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.442 8.767 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.020 9.696 -3.211 1.00 0.00 H new ATOM 445 N PHE A 32 -9.529 8.168 -1.027 1.00 0.00 N ATOM 446 CA PHE A 32 -8.882 7.714 0.188 1.00 0.00 C ATOM 447 C PHE A 32 -7.615 8.534 0.366 1.00 0.00 C ATOM 448 O PHE A 32 -6.783 8.571 -0.542 1.00 0.00 O ATOM 449 CB PHE A 32 -8.566 6.218 0.090 1.00 0.00 C ATOM 450 CG PHE A 32 -9.682 5.408 -0.529 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.892 5.237 0.170 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.545 4.912 -1.839 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.947 4.533 -0.427 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.610 4.226 -2.442 1.00 0.00 C ATOM 455 CZ PHE A 32 -11.798 4.024 -1.726 1.00 0.00 C ATOM 0 H PHE A 32 -9.413 7.531 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.534 7.850 1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.659 6.084 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.357 5.832 1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.007 5.647 1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.621 5.059 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.871 4.383 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.515 3.856 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.607 3.471 -2.179 1.00 0.00 H new ATOM 465 N GLY A 33 -7.456 9.173 1.524 1.00 0.00 N ATOM 466 CA GLY A 33 -6.317 10.028 1.818 1.00 0.00 C ATOM 467 C GLY A 33 -5.067 9.220 2.163 1.00 0.00 C ATOM 468 O GLY A 33 -4.475 9.423 3.219 1.00 0.00 O ATOM 0 H GLY A 33 -8.125 9.108 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.111 10.665 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.564 10.687 2.651 1.00 0.00 H new ATOM 472 N PHE A 34 -4.647 8.307 1.296 1.00 0.00 N ATOM 473 CA PHE A 34 -3.311 7.737 1.285 1.00 0.00 C ATOM 474 C PHE A 34 -2.923 7.541 -0.177 1.00 0.00 C ATOM 475 O PHE A 34 -3.802 7.444 -1.038 1.00 0.00 O ATOM 476 CB PHE A 34 -3.257 6.435 2.099 1.00 0.00 C ATOM 477 CG PHE A 34 -4.060 5.264 1.551 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.424 5.125 1.870 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.419 4.254 0.812 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.147 3.991 1.466 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.137 3.112 0.412 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.498 2.978 0.739 1.00 0.00 C ATOM 0 H PHE A 34 -5.247 7.933 0.560 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.593 8.402 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.215 6.126 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.608 6.648 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.921 5.901 2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.376 4.355 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.194 3.898 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.640 2.334 -0.149 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.044 2.098 0.432 1.00 0.00 H new ATOM 492 N THR A 35 -1.625 7.464 -0.457 1.00 0.00 N ATOM 493 CA THR A 35 -1.113 7.156 -1.785 1.00 0.00 C ATOM 494 C THR A 35 -0.162 5.968 -1.678 1.00 0.00 C ATOM 495 O THR A 35 0.356 5.676 -0.596 1.00 0.00 O ATOM 496 CB THR A 35 -0.481 8.395 -2.447 1.00 0.00 C ATOM 497 OG1 THR A 35 0.502 9.005 -1.628 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.532 9.451 -2.810 1.00 0.00 C ATOM 0 H THR A 35 -0.894 7.615 0.239 1.00 0.00 H new ATOM 0 HA THR A 35 -1.931 6.872 -2.447 1.00 0.00 H new ATOM 0 HB THR A 35 -0.007 8.024 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.875 9.784 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.042 10.307 -3.274 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.252 9.023 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.050 9.775 -1.907 1.00 0.00 H new ATOM 506 N ILE A 36 0.050 5.261 -2.784 1.00 0.00 N ATOM 507 CA ILE A 36 0.737 3.982 -2.834 1.00 0.00 C ATOM 508 C ILE A 36 2.025 4.126 -3.669 1.00 0.00 C ATOM 509 O ILE A 36 2.261 5.145 -4.333 1.00 0.00 O ATOM 510 CB ILE A 36 -0.290 2.918 -3.302 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.562 2.909 -2.412 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.281 1.497 -3.241 1.00 0.00 C ATOM 513 CD1 ILE A 36 -2.758 3.703 -2.941 1.00 0.00 C ATOM 0 H ILE A 36 -0.265 5.578 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 36 1.096 3.637 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.532 3.195 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.873 1.874 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.297 3.301 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.474 0.787 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.157 1.429 -3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.567 1.263 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.587 3.624 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.478 4.750 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.063 3.301 -3.907 1.00 0.00 H new ATOM 525 N ILE A 37 2.940 3.169 -3.531 1.00 0.00 N ATOM 526 CA ILE A 37 4.135 3.006 -4.347 1.00 0.00 C ATOM 527 C ILE A 37 4.142 1.583 -4.891 1.00 0.00 C ATOM 528 O ILE A 37 3.687 0.654 -4.216 1.00 0.00 O ATOM 529 CB ILE A 37 5.408 3.358 -3.540 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.686 3.220 -4.391 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.534 2.596 -2.211 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.908 3.903 -3.764 1.00 0.00 C ATOM 0 H ILE A 37 2.862 2.452 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 37 4.128 3.697 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 37 5.294 4.408 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.905 2.162 -4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.506 3.647 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.451 2.897 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.677 2.825 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.563 1.524 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.773 3.768 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.708 4.968 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.113 3.459 -2.790 1.00 0.00 H new ATOM 544 N GLY A 38 4.672 1.443 -6.105 1.00 0.00 N ATOM 545 CA GLY A 38 5.017 0.174 -6.708 1.00 0.00 C ATOM 546 C GLY A 38 6.328 0.271 -7.474 1.00 0.00 C ATOM 547 O GLY A 38 6.644 1.333 -8.017 1.00 0.00 O ATOM 0 H GLY A 38 4.876 2.240 -6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.100 -0.589 -5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.220 -0.140 -7.382 1.00 0.00 H new ATOM 551 N GLY A 39 7.036 -0.854 -7.554 1.00 0.00 N ATOM 552 CA GLY A 39 8.313 -1.082 -8.204 1.00 0.00 C ATOM 553 C GLY A 39 8.328 -0.596 -9.644 1.00 0.00 C ATOM 554 O GLY A 39 8.811 0.500 -9.920 1.00 0.00 O ATOM 0 H GLY A 39 6.690 -1.710 -7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.098 -0.574 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.544 -2.147 -8.181 1.00 0.00 H new ATOM 558 N ASP A 40 7.821 -1.415 -10.569 1.00 0.00 N ATOM 559 CA ASP A 40 7.937 -1.203 -12.022 1.00 0.00 C ATOM 560 C ASP A 40 7.354 -2.365 -12.830 1.00 0.00 C ATOM 561 O ASP A 40 6.806 -2.127 -13.908 1.00 0.00 O ATOM 562 CB ASP A 40 9.401 -0.984 -12.475 1.00 0.00 C ATOM 563 CG ASP A 40 9.627 0.433 -13.011 1.00 0.00 C ATOM 564 OD1 ASP A 40 8.926 0.850 -13.959 1.00 0.00 O ATOM 565 OD2 ASP A 40 10.512 1.145 -12.481 1.00 0.00 O ATOM 0 H ASP A 40 7.307 -2.263 -10.328 1.00 0.00 H new ATOM 0 HA ASP A 40 7.360 -0.299 -12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.072 -1.166 -11.635 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.654 -1.709 -13.248 1.00 0.00 H new ATOM 570 N GLU A 41 7.461 -3.603 -12.340 1.00 0.00 N ATOM 571 CA GLU A 41 7.057 -4.825 -13.043 1.00 0.00 C ATOM 572 C GLU A 41 6.017 -5.601 -12.219 1.00 0.00 C ATOM 573 O GLU A 41 5.843 -5.292 -11.040 1.00 0.00 O ATOM 574 CB GLU A 41 8.303 -5.675 -13.382 1.00 0.00 C ATOM 575 CG GLU A 41 8.789 -5.409 -14.818 1.00 0.00 C ATOM 576 CD GLU A 41 9.563 -6.597 -15.396 1.00 0.00 C ATOM 577 OE1 GLU A 41 10.761 -6.758 -15.068 1.00 0.00 O ATOM 578 OE2 GLU A 41 9.001 -7.359 -16.213 1.00 0.00 O ATOM 0 H GLU A 41 7.844 -3.789 -11.413 1.00 0.00 H new ATOM 0 HA GLU A 41 6.577 -4.563 -13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.103 -5.448 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.067 -6.733 -13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.932 -5.191 -15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.425 -4.524 -14.826 1.00 0.00 H new ATOM 585 N PRO A 42 5.299 -6.580 -12.806 1.00 0.00 N ATOM 586 CA PRO A 42 4.184 -7.283 -12.162 1.00 0.00 C ATOM 587 C PRO A 42 4.659 -8.348 -11.148 1.00 0.00 C ATOM 588 O PRO A 42 4.208 -9.496 -11.168 1.00 0.00 O ATOM 589 CB PRO A 42 3.374 -7.841 -13.344 1.00 0.00 C ATOM 590 CG PRO A 42 4.425 -8.133 -14.399 1.00 0.00 C ATOM 591 CD PRO A 42 5.385 -6.964 -14.216 1.00 0.00 C ATOM 0 HA PRO A 42 3.571 -6.634 -11.537 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.827 -8.742 -13.064 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.639 -7.120 -13.701 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.914 -9.093 -14.234 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.000 -8.160 -15.403 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.403 -7.252 -14.479 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.111 -6.131 -14.863 1.00 0.00 H new ATOM 599 N ASP A 43 5.598 -7.984 -10.276 1.00 0.00 N ATOM 600 CA ASP A 43 6.311 -8.855 -9.329 1.00 0.00 C ATOM 601 C ASP A 43 7.035 -8.052 -8.236 1.00 0.00 C ATOM 602 O ASP A 43 7.896 -8.565 -7.519 1.00 0.00 O ATOM 603 CB ASP A 43 7.262 -9.822 -10.061 1.00 0.00 C ATOM 604 CG ASP A 43 8.343 -9.160 -10.917 1.00 0.00 C ATOM 605 OD1 ASP A 43 9.200 -8.442 -10.377 1.00 0.00 O ATOM 606 OD2 ASP A 43 8.385 -9.473 -12.137 1.00 0.00 O ATOM 0 H ASP A 43 5.904 -7.014 -10.204 1.00 0.00 H new ATOM 0 HA ASP A 43 5.560 -9.461 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.748 -10.457 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.667 -10.475 -10.699 1.00 0.00 H new ATOM 611 N GLU A 44 6.670 -6.784 -8.087 1.00 0.00 N ATOM 612 CA GLU A 44 7.072 -5.860 -7.028 1.00 0.00 C ATOM 613 C GLU A 44 6.085 -5.887 -5.846 1.00 0.00 C ATOM 614 O GLU A 44 5.003 -6.461 -5.969 1.00 0.00 O ATOM 615 CB GLU A 44 7.246 -4.458 -7.609 1.00 0.00 C ATOM 616 CG GLU A 44 5.954 -3.982 -8.272 1.00 0.00 C ATOM 617 CD GLU A 44 5.050 -3.099 -7.423 1.00 0.00 C ATOM 618 OE1 GLU A 44 5.393 -2.850 -6.247 1.00 0.00 O ATOM 619 OE2 GLU A 44 4.169 -2.463 -8.041 1.00 0.00 O ATOM 0 H GLU A 44 6.038 -6.340 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 44 8.032 -6.181 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.531 -3.764 -6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.056 -4.460 -8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.215 -3.435 -9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.385 -4.858 -8.582 1.00 0.00 H new ATOM 626 N PHE A 45 6.464 -5.325 -4.688 1.00 0.00 N ATOM 627 CA PHE A 45 5.656 -5.322 -3.462 1.00 0.00 C ATOM 628 C PHE A 45 5.041 -3.940 -3.234 1.00 0.00 C ATOM 629 O PHE A 45 5.752 -2.972 -2.945 1.00 0.00 O ATOM 630 CB PHE A 45 6.484 -5.676 -2.211 1.00 0.00 C ATOM 631 CG PHE A 45 7.132 -7.049 -2.109 1.00 0.00 C ATOM 632 CD1 PHE A 45 7.578 -7.774 -3.227 1.00 0.00 C ATOM 633 CD2 PHE A 45 7.370 -7.579 -0.831 1.00 0.00 C ATOM 634 CE1 PHE A 45 8.283 -8.971 -3.080 1.00 0.00 C ATOM 635 CE2 PHE A 45 8.058 -8.798 -0.670 1.00 0.00 C ATOM 636 CZ PHE A 45 8.525 -9.496 -1.799 1.00 0.00 C ATOM 0 H PHE A 45 7.360 -4.850 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 45 4.884 -6.078 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.276 -4.933 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.835 -5.555 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.372 -7.399 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.021 -7.045 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.643 -9.495 -3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.227 -9.196 0.320 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.063 -10.425 -1.682 1.00 0.00 H new ATOM 646 N LEU A 46 3.716 -3.860 -3.229 1.00 0.00 N ATOM 647 CA LEU A 46 2.999 -2.589 -3.143 1.00 0.00 C ATOM 648 C LEU A 46 2.987 -2.152 -1.679 1.00 0.00 C ATOM 649 O LEU A 46 2.587 -2.943 -0.814 1.00 0.00 O ATOM 650 CB LEU A 46 1.537 -2.787 -3.585 1.00 0.00 C ATOM 651 CG LEU A 46 1.357 -3.129 -5.077 1.00 0.00 C ATOM 652 CD1 LEU A 46 -0.054 -3.691 -5.263 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.482 -1.893 -5.974 1.00 0.00 C ATOM 0 H LEU A 46 3.105 -4.675 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 46 3.484 -1.849 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.096 -3.585 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.978 -1.877 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 46 2.135 -3.839 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.210 -3.942 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.172 -4.587 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.786 -2.944 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.348 -2.184 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.718 -1.165 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.469 -1.449 -5.846 1.00 0.00 H new ATOM 665 N GLN A 47 3.379 -0.907 -1.392 1.00 0.00 N ATOM 666 CA GLN A 47 3.385 -0.332 -0.041 1.00 0.00 C ATOM 667 C GLN A 47 2.658 1.009 -0.029 1.00 0.00 C ATOM 668 O GLN A 47 2.596 1.700 -1.047 1.00 0.00 O ATOM 669 CB GLN A 47 4.815 -0.120 0.481 1.00 0.00 C ATOM 670 CG GLN A 47 5.596 -1.422 0.674 1.00 0.00 C ATOM 671 CD GLN A 47 7.039 -1.149 1.093 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.927 -1.082 0.247 1.00 0.00 O ATOM 673 NE2 GLN A 47 7.303 -0.992 2.380 1.00 0.00 N ATOM 0 H GLN A 47 3.708 -0.257 -2.106 1.00 0.00 H new ATOM 0 HA GLN A 47 2.874 -1.042 0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.357 0.519 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.771 0.412 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.105 -2.034 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.587 -1.994 -0.254 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.550 -1.052 3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.259 -0.811 2.686 1.00 0.00 H new ATOM 682 N VAL A 48 2.117 1.405 1.123 1.00 0.00 N ATOM 683 CA VAL A 48 1.587 2.742 1.318 1.00 0.00 C ATOM 684 C VAL A 48 2.781 3.711 1.291 1.00 0.00 C ATOM 685 O VAL A 48 3.667 3.659 2.153 1.00 0.00 O ATOM 686 CB VAL A 48 0.777 2.767 2.635 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.429 4.176 3.128 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.540 1.997 2.450 1.00 0.00 C ATOM 0 H VAL A 48 2.037 0.804 1.943 1.00 0.00 H new ATOM 0 HA VAL A 48 0.895 3.050 0.534 1.00 0.00 H new ATOM 0 HB VAL A 48 1.421 2.305 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.139 4.107 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.347 4.736 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.169 4.688 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.107 2.017 3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.126 2.463 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.322 0.964 2.180 1.00 0.00 H new ATOM 698 N LYS A 49 2.815 4.584 0.278 1.00 0.00 N ATOM 699 CA LYS A 49 3.855 5.583 0.056 1.00 0.00 C ATOM 700 C LYS A 49 3.804 6.649 1.135 1.00 0.00 C ATOM 701 O LYS A 49 4.841 6.969 1.714 1.00 0.00 O ATOM 702 CB LYS A 49 3.677 6.210 -1.331 1.00 0.00 C ATOM 703 CG LYS A 49 4.767 7.242 -1.655 1.00 0.00 C ATOM 704 CD LYS A 49 4.563 7.837 -3.052 1.00 0.00 C ATOM 705 CE LYS A 49 5.333 7.073 -4.132 1.00 0.00 C ATOM 706 NZ LYS A 49 4.491 6.667 -5.280 1.00 0.00 N ATOM 0 H LYS A 49 2.087 4.611 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 49 4.831 5.100 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.690 5.424 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.700 6.689 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.751 8.038 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.748 6.770 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.500 7.831 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.883 8.879 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.151 7.696 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.781 6.184 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.057 6.097 -5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.686 6.104 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.138 7.515 -5.768 1.00 0.00 H new ATOM 720 N SER A 50 2.631 7.243 1.362 1.00 0.00 N ATOM 721 CA SER A 50 2.374 8.169 2.448 1.00 0.00 C ATOM 722 C SER A 50 0.877 8.183 2.745 1.00 0.00 C ATOM 723 O SER A 50 0.057 7.996 1.838 1.00 0.00 O ATOM 724 CB SER A 50 2.829 9.583 2.084 1.00 0.00 C ATOM 725 OG SER A 50 4.152 9.636 1.573 1.00 0.00 O ATOM 0 H SER A 50 1.814 7.083 0.773 1.00 0.00 H new ATOM 0 HA SER A 50 2.934 7.842 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.145 9.997 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.764 10.217 2.968 1.00 0.00 H new ATOM 0 HG SER A 50 4.586 8.766 1.697 1.00 0.00 H new ATOM 731 N VAL A 51 0.520 8.463 3.995 1.00 0.00 N ATOM 732 CA VAL A 51 -0.837 8.767 4.423 1.00 0.00 C ATOM 733 C VAL A 51 -0.975 10.295 4.334 1.00 0.00 C ATOM 734 O VAL A 51 -0.118 11.028 4.837 1.00 0.00 O ATOM 735 CB VAL A 51 -1.078 8.203 5.843 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.528 8.450 6.278 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.829 6.685 5.946 1.00 0.00 C ATOM 0 H VAL A 51 1.192 8.485 4.762 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.598 8.301 3.796 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.367 8.723 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.681 8.047 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.729 9.521 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.206 7.957 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.016 6.354 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.499 6.159 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.205 6.467 5.677 1.00 0.00 H new ATOM 747 N ILE A 52 -2.000 10.795 3.643 1.00 0.00 N ATOM 748 CA ILE A 52 -2.288 12.216 3.539 1.00 0.00 C ATOM 749 C ILE A 52 -2.790 12.682 4.915 1.00 0.00 C ATOM 750 O ILE A 52 -3.684 12.031 5.464 1.00 0.00 O ATOM 751 CB ILE A 52 -3.337 12.449 2.431 1.00 0.00 C ATOM 752 CG1 ILE A 52 -2.964 11.945 1.009 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.741 13.928 2.318 1.00 0.00 C ATOM 754 CD1 ILE A 52 -1.620 11.266 0.730 1.00 0.00 C ATOM 0 H ILE A 52 -2.661 10.209 3.133 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.402 12.790 3.266 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.168 11.833 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.742 11.244 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.031 12.803 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.481 14.044 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.167 14.262 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.862 14.528 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.562 10.992 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.808 11.952 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.531 10.369 1.343 1.00 0.00 H new ATOM 766 N PRO A 53 -2.268 13.790 5.465 1.00 0.00 N ATOM 767 CA PRO A 53 -2.746 14.326 6.733 1.00 0.00 C ATOM 768 C PRO A 53 -4.171 14.878 6.600 1.00 0.00 C ATOM 769 O PRO A 53 -4.623 15.171 5.491 1.00 0.00 O ATOM 770 CB PRO A 53 -1.767 15.448 7.070 1.00 0.00 C ATOM 771 CG PRO A 53 -1.310 15.952 5.707 1.00 0.00 C ATOM 772 CD PRO A 53 -1.289 14.684 4.862 1.00 0.00 C ATOM 0 HA PRO A 53 -2.788 13.561 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.247 16.238 7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.929 15.083 7.663 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.995 16.696 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.326 16.419 5.758 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.544 14.901 3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.297 14.233 4.859 1.00 0.00 H new ATOM 780 N ASP A 54 -4.851 15.077 7.735 1.00 0.00 N ATOM 781 CA ASP A 54 -6.199 15.655 7.846 1.00 0.00 C ATOM 782 C ASP A 54 -7.141 15.133 6.757 1.00 0.00 C ATOM 783 O ASP A 54 -7.782 15.891 6.027 1.00 0.00 O ATOM 784 CB ASP A 54 -6.173 17.190 7.981 1.00 0.00 C ATOM 785 CG ASP A 54 -5.492 17.971 6.848 1.00 0.00 C ATOM 786 OD1 ASP A 54 -4.254 18.171 6.925 1.00 0.00 O ATOM 787 OD2 ASP A 54 -6.197 18.531 5.970 1.00 0.00 O ATOM 0 H ASP A 54 -4.460 14.829 8.644 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.627 15.303 8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.201 17.541 8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.672 17.441 8.916 1.00 0.00 H new ATOM 792 N GLY A 55 -7.171 13.806 6.615 1.00 0.00 N ATOM 793 CA GLY A 55 -7.962 13.083 5.636 1.00 0.00 C ATOM 794 C GLY A 55 -8.538 11.801 6.244 1.00 0.00 C ATOM 795 O GLY A 55 -8.228 11.457 7.390 1.00 0.00 O ATOM 0 H GLY A 55 -6.619 13.186 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.773 13.717 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.344 12.836 4.773 1.00 0.00 H new ATOM 799 N PRO A 56 -9.370 11.057 5.494 1.00 0.00 N ATOM 800 CA PRO A 56 -10.158 9.958 6.041 1.00 0.00 C ATOM 801 C PRO A 56 -9.315 8.747 6.444 1.00 0.00 C ATOM 802 O PRO A 56 -9.782 7.944 7.253 1.00 0.00 O ATOM 803 CB PRO A 56 -11.155 9.579 4.936 1.00 0.00 C ATOM 804 CG PRO A 56 -10.429 10.003 3.660 1.00 0.00 C ATOM 805 CD PRO A 56 -9.689 11.268 4.092 1.00 0.00 C ATOM 0 HA PRO A 56 -10.648 10.274 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.375 8.511 4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.105 10.101 5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.742 9.232 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.126 10.201 2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.786 11.419 3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.310 12.154 3.957 1.00 0.00 H new ATOM 813 N ALA A 57 -8.112 8.575 5.881 1.00 0.00 N ATOM 814 CA ALA A 57 -7.241 7.469 6.258 1.00 0.00 C ATOM 815 C ALA A 57 -6.581 7.789 7.594 1.00 0.00 C ATOM 816 O ALA A 57 -6.652 6.974 8.515 1.00 0.00 O ATOM 817 CB ALA A 57 -6.201 7.196 5.164 1.00 0.00 C ATOM 0 H ALA A 57 -7.726 9.190 5.165 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.831 6.559 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.562 6.367 5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.709 6.941 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.591 8.086 5.011 1.00 0.00 H new ATOM 823 N ALA A 58 -5.977 8.977 7.685 1.00 0.00 N ATOM 824 CA ALA A 58 -5.285 9.463 8.865 1.00 0.00 C ATOM 825 C ALA A 58 -6.237 9.507 10.057 1.00 0.00 C ATOM 826 O ALA A 58 -5.898 8.976 11.113 1.00 0.00 O ATOM 827 CB ALA A 58 -4.688 10.846 8.584 1.00 0.00 C ATOM 0 H ALA A 58 -5.960 9.642 6.912 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.472 8.780 9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.170 11.206 9.473 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.983 10.776 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.486 11.541 8.323 1.00 0.00 H new ATOM 833 N GLN A 59 -7.431 10.093 9.890 1.00 0.00 N ATOM 834 CA GLN A 59 -8.392 10.206 10.980 1.00 0.00 C ATOM 835 C GLN A 59 -8.795 8.838 11.529 1.00 0.00 C ATOM 836 O GLN A 59 -9.014 8.722 12.734 1.00 0.00 O ATOM 837 CB GLN A 59 -9.649 10.982 10.551 1.00 0.00 C ATOM 838 CG GLN A 59 -9.418 12.497 10.495 1.00 0.00 C ATOM 839 CD GLN A 59 -10.739 13.263 10.482 1.00 0.00 C ATOM 840 OE1 GLN A 59 -11.468 13.280 11.474 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.095 13.915 9.390 1.00 0.00 N ATOM 0 H GLN A 59 -7.748 10.494 9.007 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.891 10.762 11.773 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.971 10.631 9.570 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.459 10.767 11.248 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.824 12.808 11.355 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.843 12.746 9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.491 13.901 8.568 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.974 14.432 9.369 1.00 0.00 H new ATOM 850 N ASP A 60 -8.918 7.807 10.687 1.00 0.00 N ATOM 851 CA ASP A 60 -9.373 6.490 11.143 1.00 0.00 C ATOM 852 C ASP A 60 -8.280 5.741 11.923 1.00 0.00 C ATOM 853 O ASP A 60 -8.583 4.868 12.735 1.00 0.00 O ATOM 854 CB ASP A 60 -9.908 5.685 9.953 1.00 0.00 C ATOM 855 CG ASP A 60 -10.793 4.512 10.374 1.00 0.00 C ATOM 856 OD1 ASP A 60 -11.522 4.608 11.381 1.00 0.00 O ATOM 857 OD2 ASP A 60 -10.838 3.480 9.668 1.00 0.00 O ATOM 0 H ASP A 60 -8.710 7.859 9.690 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.192 6.629 11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.478 6.347 9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.068 5.308 9.370 1.00 0.00 H new ATOM 862 N GLY A 61 -7.011 6.125 11.731 1.00 0.00 N ATOM 863 CA GLY A 61 -5.887 5.785 12.602 1.00 0.00 C ATOM 864 C GLY A 61 -5.441 4.325 12.569 1.00 0.00 C ATOM 865 O GLY A 61 -4.592 3.925 13.365 1.00 0.00 O ATOM 0 H GLY A 61 -6.733 6.701 10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.038 6.411 12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.155 6.041 13.627 1.00 0.00 H new ATOM 869 N LYS A 62 -5.978 3.500 11.668 1.00 0.00 N ATOM 870 CA LYS A 62 -5.553 2.107 11.554 1.00 0.00 C ATOM 871 C LYS A 62 -4.357 1.966 10.617 1.00 0.00 C ATOM 872 O LYS A 62 -3.688 0.929 10.659 1.00 0.00 O ATOM 873 CB LYS A 62 -6.724 1.235 11.076 1.00 0.00 C ATOM 874 CG LYS A 62 -7.858 1.151 12.116 1.00 0.00 C ATOM 875 CD LYS A 62 -9.170 1.699 11.562 1.00 0.00 C ATOM 876 CE LYS A 62 -10.283 1.693 12.618 1.00 0.00 C ATOM 877 NZ LYS A 62 -11.613 1.903 12.010 1.00 0.00 N ATOM 0 H LYS A 62 -6.707 3.773 11.009 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.239 1.765 12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.119 1.641 10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.360 0.231 10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.996 0.114 12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.577 1.711 13.008 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.016 2.716 11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.480 1.102 10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.273 0.743 13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.091 2.474 13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.335 1.417 12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.824 2.921 11.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.617 1.520 11.043 1.00 0.00 H new ATOM 891 N MET A 63 -4.113 2.932 9.732 1.00 0.00 N ATOM 892 CA MET A 63 -3.153 2.862 8.642 1.00 0.00 C ATOM 893 C MET A 63 -1.999 3.806 8.917 1.00 0.00 C ATOM 894 O MET A 63 -2.205 4.925 9.387 1.00 0.00 O ATOM 895 CB MET A 63 -3.881 3.282 7.366 1.00 0.00 C ATOM 896 CG MET A 63 -3.083 3.150 6.068 1.00 0.00 C ATOM 897 SD MET A 63 -3.892 3.907 4.634 1.00 0.00 S ATOM 898 CE MET A 63 -5.620 3.386 4.831 1.00 0.00 C ATOM 0 H MET A 63 -4.605 3.825 9.761 1.00 0.00 H new ATOM 0 HA MET A 63 -2.753 1.853 8.540 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.788 2.684 7.275 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.193 4.321 7.474 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.104 3.609 6.206 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.913 2.093 5.862 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.213 3.773 4.003 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.673 2.297 4.838 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.012 3.775 5.771 1.00 0.00 H new ATOM 908 N GLU A 64 -0.810 3.373 8.520 1.00 0.00 N ATOM 909 CA GLU A 64 0.432 4.123 8.607 1.00 0.00 C ATOM 910 C GLU A 64 1.248 3.850 7.342 1.00 0.00 C ATOM 911 O GLU A 64 0.766 3.211 6.402 1.00 0.00 O ATOM 912 CB GLU A 64 1.183 3.790 9.909 1.00 0.00 C ATOM 913 CG GLU A 64 0.782 4.750 11.029 1.00 0.00 C ATOM 914 CD GLU A 64 1.646 4.562 12.274 1.00 0.00 C ATOM 915 OE1 GLU A 64 2.852 4.910 12.229 1.00 0.00 O ATOM 916 OE2 GLU A 64 1.104 4.109 13.306 1.00 0.00 O ATOM 0 H GLU A 64 -0.681 2.448 8.110 1.00 0.00 H new ATOM 0 HA GLU A 64 0.236 5.194 8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.965 2.765 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.258 3.851 9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.871 5.777 10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.265 4.591 11.286 1.00 0.00 H new ATOM 923 N THR A 65 2.435 4.444 7.251 1.00 0.00 N ATOM 924 CA THR A 65 3.245 4.430 6.045 1.00 0.00 C ATOM 925 C THR A 65 4.271 3.289 6.126 1.00 0.00 C ATOM 926 O THR A 65 4.575 2.803 7.214 1.00 0.00 O ATOM 927 CB THR A 65 3.906 5.810 5.905 1.00 0.00 C ATOM 928 OG1 THR A 65 2.992 6.872 6.152 1.00 0.00 O ATOM 929 CG2 THR A 65 4.408 5.988 4.482 1.00 0.00 C ATOM 0 H THR A 65 2.863 4.954 8.024 1.00 0.00 H new ATOM 0 HA THR A 65 2.639 4.245 5.158 1.00 0.00 H new ATOM 0 HB THR A 65 4.714 5.848 6.636 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.454 7.731 6.054 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.877 6.967 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.137 5.211 4.254 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.570 5.914 3.789 1.00 0.00 H new ATOM 937 N GLY A 66 4.792 2.836 4.981 1.00 0.00 N ATOM 938 CA GLY A 66 5.703 1.694 4.905 1.00 0.00 C ATOM 939 C GLY A 66 4.955 0.363 4.943 1.00 0.00 C ATOM 940 O GLY A 66 5.518 -0.671 4.579 1.00 0.00 O ATOM 0 H GLY A 66 4.590 3.257 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.286 1.756 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.409 1.737 5.735 1.00 0.00 H new ATOM 944 N ASP A 67 3.680 0.391 5.335 1.00 0.00 N ATOM 945 CA ASP A 67 2.826 -0.778 5.408 1.00 0.00 C ATOM 946 C ASP A 67 2.622 -1.352 4.003 1.00 0.00 C ATOM 947 O ASP A 67 2.619 -0.601 3.028 1.00 0.00 O ATOM 948 CB ASP A 67 1.466 -0.373 5.965 1.00 0.00 C ATOM 949 CG ASP A 67 1.261 -0.404 7.476 1.00 0.00 C ATOM 950 OD1 ASP A 67 1.913 -1.195 8.183 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.236 0.149 7.937 1.00 0.00 O ATOM 0 H ASP A 67 3.209 1.251 5.615 1.00 0.00 H new ATOM 0 HA ASP A 67 3.292 -1.523 6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.256 0.640 5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.716 -1.024 5.515 1.00 0.00 H new ATOM 956 N VAL A 68 2.390 -2.658 3.895 1.00 0.00 N ATOM 957 CA VAL A 68 2.403 -3.428 2.649 1.00 0.00 C ATOM 958 C VAL A 68 0.959 -3.779 2.296 1.00 0.00 C ATOM 959 O VAL A 68 0.301 -4.409 3.117 1.00 0.00 O ATOM 960 CB VAL A 68 3.249 -4.690 2.901 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.266 -5.660 1.721 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.707 -4.339 3.213 1.00 0.00 C ATOM 0 H VAL A 68 2.178 -3.236 4.708 1.00 0.00 H new ATOM 0 HA VAL A 68 2.833 -2.871 1.817 1.00 0.00 H new ATOM 0 HB VAL A 68 2.768 -5.171 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.881 -6.525 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.249 -5.988 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.680 -5.160 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.273 -5.255 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.139 -3.798 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.748 -3.714 4.105 1.00 0.00 H new ATOM 972 N ILE A 69 0.442 -3.374 1.130 1.00 0.00 N ATOM 973 CA ILE A 69 -0.909 -3.707 0.693 1.00 0.00 C ATOM 974 C ILE A 69 -0.911 -5.162 0.260 1.00 0.00 C ATOM 975 O ILE A 69 -0.103 -5.562 -0.583 1.00 0.00 O ATOM 976 CB ILE A 69 -1.460 -2.814 -0.436 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.450 -1.312 -0.095 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.929 -3.227 -0.696 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.123 -0.606 -0.332 1.00 0.00 C ATOM 0 H ILE A 69 0.958 -2.802 0.462 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.576 -3.530 1.537 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.815 -2.956 -1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.219 -0.816 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.726 -1.191 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.345 -2.610 -1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.965 -4.275 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.513 -3.087 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.217 0.446 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.650 -1.069 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.150 -0.688 -1.384 1.00 0.00 H new ATOM 991 N VAL A 70 -1.868 -5.908 0.795 1.00 0.00 N ATOM 992 CA VAL A 70 -2.040 -7.325 0.519 1.00 0.00 C ATOM 993 C VAL A 70 -3.309 -7.573 -0.303 1.00 0.00 C ATOM 994 O VAL A 70 -3.229 -8.148 -1.392 1.00 0.00 O ATOM 995 CB VAL A 70 -2.027 -8.125 1.832 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.773 -9.598 1.528 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.007 -7.610 2.857 1.00 0.00 C ATOM 0 H VAL A 70 -2.560 -5.536 1.446 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.203 -7.674 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.007 -7.994 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.764 -10.165 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.563 -9.977 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.810 -9.706 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.055 -8.223 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.005 -7.666 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.236 -6.575 3.110 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.482 -7.175 0.198 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.766 -7.448 -0.447 1.00 0.00 C ATOM 1009 C TYR A 71 -6.627 -6.189 -0.445 1.00 0.00 C ATOM 1010 O TYR A 71 -6.524 -5.378 0.479 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.531 -8.584 0.252 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.821 -9.913 0.451 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -5.053 -10.142 1.606 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -6.023 -10.966 -0.456 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -4.512 -11.408 1.881 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -5.463 -12.230 -0.210 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.726 -12.470 0.971 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.242 -13.720 1.210 1.00 0.00 O ATOM 0 H TYR A 71 -4.566 -6.651 1.069 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.556 -7.760 -1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.841 -8.222 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.439 -8.774 -0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.876 -9.329 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.612 -10.803 -1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.937 -11.570 2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.597 -13.025 -0.929 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.492 -14.314 0.472 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.512 -6.045 -1.434 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.420 -4.910 -1.603 1.00 0.00 C ATOM 1030 C ILE A 72 -9.806 -5.501 -1.873 1.00 0.00 C ATOM 1031 O ILE A 72 -10.002 -6.194 -2.875 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.917 -3.957 -2.724 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.494 -3.449 -2.376 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.906 -2.791 -2.956 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.912 -2.425 -3.355 1.00 0.00 C ATOM 0 H ILE A 72 -7.619 -6.745 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.464 -4.284 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.864 -4.510 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.517 -3.005 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.821 -4.305 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.526 -2.143 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.877 -3.190 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.014 -2.217 -2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.915 -2.132 -3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.850 -2.867 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.556 -1.546 -3.388 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.756 -5.237 -0.971 1.00 0.00 N ATOM 1048 CA ASN A 73 -12.094 -5.828 -0.875 1.00 0.00 C ATOM 1049 C ASN A 73 -11.986 -7.318 -0.579 1.00 0.00 C ATOM 1050 O ASN A 73 -12.194 -7.731 0.556 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.957 -5.523 -2.121 1.00 0.00 C ATOM 1052 CG ASN A 73 -14.244 -4.845 -1.709 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -15.300 -5.453 -1.609 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.177 -3.557 -1.438 1.00 0.00 N ATOM 0 H ASN A 73 -10.597 -4.552 -0.232 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.618 -5.362 -0.041 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.404 -4.883 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.179 -6.447 -2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.013 -3.054 -1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.289 -3.063 -1.526 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.583 -8.112 -1.563 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.279 -9.535 -1.450 1.00 0.00 C ATOM 1063 C GLU A 74 -10.156 -9.931 -2.428 1.00 0.00 C ATOM 1064 O GLU A 74 -9.612 -11.035 -2.352 1.00 0.00 O ATOM 1065 CB GLU A 74 -12.578 -10.316 -1.716 1.00 0.00 C ATOM 1066 CG GLU A 74 -12.504 -11.761 -1.211 1.00 0.00 C ATOM 1067 CD GLU A 74 -13.853 -12.452 -1.379 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -14.111 -13.032 -2.464 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -14.664 -12.408 -0.428 1.00 0.00 O ATOM 0 H GLU A 74 -11.452 -7.763 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.914 -9.773 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.411 -9.807 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.785 -10.318 -2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.738 -12.307 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.211 -11.772 -0.161 1.00 0.00 H new ATOM 1076 N VAL A 75 -9.791 -9.037 -3.353 1.00 0.00 N ATOM 1077 CA VAL A 75 -8.869 -9.286 -4.449 1.00 0.00 C ATOM 1078 C VAL A 75 -7.458 -9.318 -3.878 1.00 0.00 C ATOM 1079 O VAL A 75 -7.025 -8.363 -3.229 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.034 -8.193 -5.528 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.109 -8.441 -6.727 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.488 -8.140 -6.030 1.00 0.00 C ATOM 0 H VAL A 75 -10.149 -8.082 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.076 -10.242 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.767 -7.244 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.252 -7.653 -7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.072 -8.441 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.345 -9.406 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.583 -7.364 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.760 -9.104 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.153 -7.915 -5.196 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.743 -10.418 -4.105 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.322 -10.514 -3.842 1.00 0.00 C ATOM 1094 C CYS A 76 -4.565 -9.602 -4.809 1.00 0.00 C ATOM 1095 O CYS A 76 -4.506 -9.887 -6.002 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.873 -11.977 -3.948 1.00 0.00 C ATOM 1097 SG CYS A 76 -5.444 -12.736 -5.496 1.00 0.00 S ATOM 0 H CYS A 76 -7.147 -11.275 -4.482 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.100 -10.180 -2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.786 -12.030 -3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.262 -12.541 -3.100 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.342 -11.875 -6.465 1.00 0.00 H new ATOM 1103 N VAL A 77 -3.980 -8.509 -4.320 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.247 -7.567 -5.170 1.00 0.00 C ATOM 1105 C VAL A 77 -1.732 -7.664 -4.953 1.00 0.00 C ATOM 1106 O VAL A 77 -0.999 -6.827 -5.464 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.792 -6.132 -4.996 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.254 -6.022 -5.458 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.669 -5.613 -3.555 1.00 0.00 C ATOM 0 H VAL A 77 -3.999 -8.252 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.415 -7.845 -6.210 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.166 -5.504 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.603 -4.999 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.324 -6.291 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.873 -6.699 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.069 -4.601 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.231 -6.264 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.620 -5.606 -3.259 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.243 -8.655 -4.200 1.00 0.00 N ATOM 1120 CA LEU A 78 0.122 -8.670 -3.678 1.00 0.00 C ATOM 1121 C LEU A 78 1.233 -8.519 -4.724 1.00 0.00 C ATOM 1122 O LEU A 78 2.240 -7.901 -4.391 1.00 0.00 O ATOM 1123 CB LEU A 78 0.286 -9.807 -2.663 1.00 0.00 C ATOM 1124 CG LEU A 78 0.531 -11.215 -3.223 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.027 -11.411 -3.429 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.078 -12.301 -2.238 1.00 0.00 C ATOM 0 H LEU A 78 -1.790 -9.474 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 78 0.272 -7.743 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.118 -9.555 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.611 -9.840 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.032 -11.301 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.212 -12.409 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.398 -10.665 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.543 -11.299 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.267 -13.284 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.633 -12.201 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.988 -12.191 -2.040 1.00 0.00 H new ATOM 1138 N GLY A 79 1.076 -9.038 -5.947 1.00 0.00 N ATOM 1139 CA GLY A 79 1.997 -8.823 -7.073 1.00 0.00 C ATOM 1140 C GLY A 79 1.296 -8.128 -8.243 1.00 0.00 C ATOM 1141 O GLY A 79 1.748 -8.207 -9.385 1.00 0.00 O ATOM 0 H GLY A 79 0.285 -9.635 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.843 -8.220 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.399 -9.781 -7.404 1.00 0.00 H new ATOM 1145 N HIS A 80 0.142 -7.513 -7.991 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.601 -6.763 -8.993 1.00 0.00 C ATOM 1147 C HIS A 80 0.137 -5.459 -9.257 1.00 0.00 C ATOM 1148 O HIS A 80 0.904 -4.990 -8.418 1.00 0.00 O ATOM 1149 CB HIS A 80 -2.021 -6.516 -8.484 1.00 0.00 C ATOM 1150 CG HIS A 80 -3.109 -6.411 -9.517 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -4.213 -5.592 -9.440 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -3.332 -7.314 -10.521 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -5.076 -5.984 -10.390 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -4.575 -7.015 -11.090 1.00 0.00 N ATOM 0 H HIS A 80 -0.305 -7.524 -7.074 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.674 -7.318 -9.928 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.281 -7.324 -7.800 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.017 -5.594 -7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.669 -8.112 -10.820 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.041 -5.532 -10.567 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.014 -7.487 -11.881 1.00 0.00 H new ATOM 1162 N THR A 81 -0.104 -4.857 -10.412 1.00 0.00 N ATOM 1163 CA THR A 81 0.651 -3.678 -10.801 1.00 0.00 C ATOM 1164 C THR A 81 0.029 -2.451 -10.140 1.00 0.00 C ATOM 1165 O THR A 81 -1.198 -2.354 -9.999 1.00 0.00 O ATOM 1166 CB THR A 81 0.693 -3.560 -12.334 1.00 0.00 C ATOM 1167 OG1 THR A 81 -0.554 -3.913 -12.907 1.00 0.00 O ATOM 1168 CG2 THR A 81 1.796 -4.480 -12.862 1.00 0.00 C ATOM 0 H THR A 81 -0.806 -5.160 -11.087 1.00 0.00 H new ATOM 0 HA THR A 81 1.684 -3.758 -10.461 1.00 0.00 H new ATOM 0 HB THR A 81 0.901 -2.526 -12.610 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.502 -3.828 -13.882 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.840 -4.409 -13.949 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.755 -4.178 -12.440 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.580 -5.509 -12.574 1.00 0.00 H new ATOM 1176 N HIS A 82 0.873 -1.479 -9.793 1.00 0.00 N ATOM 1177 CA HIS A 82 0.459 -0.184 -9.279 1.00 0.00 C ATOM 1178 C HIS A 82 -0.489 0.512 -10.258 1.00 0.00 C ATOM 1179 O HIS A 82 -1.423 1.183 -9.829 1.00 0.00 O ATOM 1180 CB HIS A 82 1.726 0.631 -8.974 1.00 0.00 C ATOM 1181 CG HIS A 82 1.495 1.829 -8.090 1.00 0.00 C ATOM 1182 ND1 HIS A 82 2.079 3.068 -8.226 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.687 1.872 -6.987 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.572 3.858 -7.268 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.734 3.170 -6.481 1.00 0.00 N ATOM 0 H HIS A 82 1.886 -1.578 -9.865 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.110 -0.293 -8.356 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.458 -0.022 -8.498 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.163 0.967 -9.914 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.770 3.336 -8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.116 1.050 -6.582 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.807 4.905 -7.148 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.329 0.312 -11.565 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.232 0.833 -12.573 1.00 0.00 C ATOM 1195 C ALA A 83 -2.664 0.367 -12.315 1.00 0.00 C ATOM 1196 O ALA A 83 -3.549 1.217 -12.173 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.743 0.413 -13.966 1.00 0.00 C ATOM 0 H ALA A 83 0.446 -0.226 -11.953 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.237 1.922 -12.522 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.422 0.805 -14.723 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.258 0.810 -14.135 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.717 -0.675 -14.030 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.904 -0.946 -12.262 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.252 -1.482 -12.081 1.00 0.00 C ATOM 1205 C ASP A 84 -4.759 -1.131 -10.681 1.00 0.00 C ATOM 1206 O ASP A 84 -5.868 -0.657 -10.508 1.00 0.00 O ATOM 1207 CB ASP A 84 -4.282 -3.007 -12.309 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.626 -3.489 -12.881 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -6.675 -2.869 -12.649 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.616 -4.498 -13.645 1.00 0.00 O ATOM 0 H ASP A 84 -2.178 -1.658 -12.342 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.910 -1.029 -12.823 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.479 -3.285 -12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.089 -3.516 -11.365 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.931 -1.266 -9.653 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.305 -0.990 -8.268 1.00 0.00 C ATOM 1217 C VAL A 85 -4.743 0.464 -8.093 1.00 0.00 C ATOM 1218 O VAL A 85 -5.737 0.734 -7.412 1.00 0.00 O ATOM 1219 CB VAL A 85 -3.117 -1.414 -7.377 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -2.879 -0.595 -6.107 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.312 -2.892 -7.028 1.00 0.00 C ATOM 0 H VAL A 85 -2.965 -1.575 -9.758 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.179 -1.567 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.217 -1.225 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.017 -0.995 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.690 0.445 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.760 -0.650 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.489 -3.229 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.254 -3.019 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.332 -3.483 -7.944 1.00 0.00 H new ATOM 1231 N VAL A 86 -4.048 1.415 -8.709 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.460 2.804 -8.656 1.00 0.00 C ATOM 1233 C VAL A 86 -5.764 2.977 -9.448 1.00 0.00 C ATOM 1234 O VAL A 86 -6.655 3.686 -8.961 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.296 3.699 -9.114 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.750 5.164 -9.218 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.133 3.626 -8.100 1.00 0.00 C ATOM 0 H VAL A 86 -3.199 1.245 -9.248 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.690 3.119 -7.638 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.967 3.342 -10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.913 5.782 -9.543 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.562 5.243 -9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.097 5.507 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.316 4.264 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.480 3.965 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.782 2.597 -8.023 1.00 0.00 H new ATOM 1247 N LYS A 87 -5.928 2.308 -10.604 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.180 2.424 -11.369 1.00 0.00 C ATOM 1249 C LYS A 87 -8.341 1.849 -10.566 1.00 0.00 C ATOM 1250 O LYS A 87 -9.443 2.393 -10.598 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.048 1.849 -12.806 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.582 0.428 -13.089 1.00 0.00 C ATOM 1253 CD LYS A 87 -9.104 0.303 -13.256 1.00 0.00 C ATOM 1254 CE LYS A 87 -9.491 -0.059 -14.691 1.00 0.00 C ATOM 1255 NZ LYS A 87 -10.778 -0.778 -14.736 1.00 0.00 N ATOM 0 H LYS A 87 -5.227 1.696 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.402 3.480 -11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.557 2.534 -13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.991 1.864 -13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.105 0.056 -13.996 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.271 -0.225 -12.274 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.483 -0.459 -12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.579 1.244 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.558 0.848 -15.291 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.711 -0.678 -15.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.012 -1.009 -15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.705 -1.656 -14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.526 -0.177 -14.334 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.092 0.794 -9.801 1.00 0.00 N ATOM 1270 CA LEU A 88 -9.047 0.117 -8.942 1.00 0.00 C ATOM 1271 C LEU A 88 -9.486 1.071 -7.840 1.00 0.00 C ATOM 1272 O LEU A 88 -10.683 1.264 -7.647 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.419 -1.176 -8.391 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.397 -2.327 -9.410 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.458 -3.444 -8.950 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.802 -2.895 -9.633 1.00 0.00 C ATOM 0 H LEU A 88 -7.167 0.367 -9.763 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.936 -0.172 -9.503 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.399 -0.967 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.974 -1.493 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.031 -1.921 -10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.459 -4.247 -9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.447 -3.049 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.798 -3.832 -7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.755 -3.707 -10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -10.196 -3.273 -8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.457 -2.109 -10.010 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.553 1.783 -7.204 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.898 2.776 -6.192 1.00 0.00 C ATOM 1290 C PHE A 89 -9.769 3.895 -6.784 1.00 0.00 C ATOM 1291 O PHE A 89 -10.625 4.448 -6.085 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.630 3.351 -5.542 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.977 2.500 -4.466 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.695 2.162 -3.303 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.630 2.097 -4.577 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -7.051 1.539 -2.226 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -5.006 1.406 -3.524 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.702 1.174 -2.328 1.00 0.00 C ATOM 0 H PHE A 89 -7.552 1.688 -7.374 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.482 2.278 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.896 3.532 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.878 4.320 -5.108 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.750 2.385 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.075 2.321 -5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.596 1.340 -1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.991 1.054 -3.635 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.200 0.716 -1.489 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.583 4.252 -8.059 1.00 0.00 N ATOM 1309 CA GLN A 90 -10.434 5.219 -8.748 1.00 0.00 C ATOM 1310 C GLN A 90 -11.757 4.610 -9.231 1.00 0.00 C ATOM 1311 O GLN A 90 -12.713 5.352 -9.468 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.673 5.817 -9.933 1.00 0.00 C ATOM 1313 CG GLN A 90 -8.437 6.617 -9.497 1.00 0.00 C ATOM 1314 CD GLN A 90 -8.352 7.927 -10.267 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -8.159 7.964 -11.481 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -8.510 9.041 -9.582 1.00 0.00 N ATOM 0 H GLN A 90 -8.835 3.875 -8.641 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.688 5.997 -8.028 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.364 5.015 -10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.341 6.467 -10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.486 6.820 -8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.536 6.028 -9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.670 9.002 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.473 9.942 -10.058 1.00 0.00 H new ATOM 1325 N SER A 91 -11.837 3.284 -9.358 1.00 0.00 N ATOM 1326 CA SER A 91 -13.039 2.544 -9.729 1.00 0.00 C ATOM 1327 C SER A 91 -14.044 2.460 -8.569 1.00 0.00 C ATOM 1328 O SER A 91 -15.172 2.002 -8.761 1.00 0.00 O ATOM 1329 CB SER A 91 -12.654 1.161 -10.261 1.00 0.00 C ATOM 1330 OG SER A 91 -11.779 1.310 -11.370 1.00 0.00 O ATOM 0 H SER A 91 -11.034 2.675 -9.199 1.00 0.00 H new ATOM 0 HA SER A 91 -13.547 3.087 -10.526 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.170 0.579 -9.477 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.547 0.612 -10.559 1.00 0.00 H new ATOM 0 HG SER A 91 -10.918 1.662 -11.062 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.673 2.932 -7.376 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.582 3.143 -6.260 1.00 0.00 C ATOM 1338 C VAL A 92 -15.209 4.535 -6.453 1.00 0.00 C ATOM 1339 O VAL A 92 -14.455 5.514 -6.458 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.823 3.030 -4.916 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.841 2.910 -3.773 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.876 1.823 -4.859 1.00 0.00 C ATOM 0 H VAL A 92 -12.708 3.182 -7.160 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.364 2.384 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.214 3.928 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -14.313 2.830 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.480 3.793 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.454 2.021 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.374 1.800 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.448 0.905 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.133 1.906 -5.652 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.537 4.663 -6.650 1.00 0.00 N ATOM 1353 CA PRO A 93 -17.196 5.964 -6.698 1.00 0.00 C ATOM 1354 C PRO A 93 -17.343 6.565 -5.286 1.00 0.00 C ATOM 1355 O PRO A 93 -16.941 5.958 -4.286 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.534 5.704 -7.395 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.877 4.272 -7.001 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.518 3.595 -6.812 1.00 0.00 C ATOM 0 HA PRO A 93 -16.621 6.710 -7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.300 6.405 -7.064 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.449 5.812 -8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.467 4.242 -6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.464 3.777 -7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.528 2.943 -5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.273 2.972 -7.672 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.907 7.773 -5.197 1.00 0.00 N ATOM 1367 CA ILE A 94 -18.037 8.525 -3.950 1.00 0.00 C ATOM 1368 C ILE A 94 -18.931 7.747 -2.979 1.00 0.00 C ATOM 1369 O ILE A 94 -19.915 7.112 -3.374 1.00 0.00 O ATOM 1370 CB ILE A 94 -18.566 9.947 -4.262 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -17.499 10.750 -5.046 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -18.953 10.741 -2.999 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -18.096 11.806 -5.980 1.00 0.00 C ATOM 0 H ILE A 94 -18.292 8.262 -6.005 1.00 0.00 H new ATOM 0 HA ILE A 94 -17.069 8.646 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 94 -19.469 9.813 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.830 11.239 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -16.893 10.059 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -19.316 11.728 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -19.737 10.209 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -18.080 10.849 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -17.292 12.330 -6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -18.742 11.321 -6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -18.679 12.519 -5.397 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.607 7.833 -1.687 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.472 7.389 -0.604 1.00 0.00 C ATOM 1387 C GLY A 95 -19.537 5.873 -0.419 1.00 0.00 C ATOM 1388 O GLY A 95 -20.166 5.428 0.543 1.00 0.00 O ATOM 0 H GLY A 95 -17.720 8.220 -1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.127 7.840 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.480 7.763 -0.786 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.873 5.075 -1.261 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.750 3.638 -1.020 1.00 0.00 C ATOM 1394 C GLN A 96 -17.571 3.423 -0.077 1.00 0.00 C ATOM 1395 O GLN A 96 -16.726 4.311 0.045 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.448 2.878 -2.316 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.373 3.162 -3.496 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.826 2.777 -3.260 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -21.155 1.824 -2.553 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.733 3.482 -3.902 1.00 0.00 N ATOM 0 H GLN A 96 -18.415 5.400 -2.112 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.689 3.272 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.427 3.109 -2.618 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.483 1.810 -2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.325 4.225 -3.733 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.004 2.624 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.449 4.269 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.720 3.241 -3.817 1.00 0.00 H new ATOM 1409 N SER A 97 -17.442 2.244 0.530 1.00 0.00 N ATOM 1410 CA SER A 97 -16.317 1.913 1.369 1.00 0.00 C ATOM 1411 C SER A 97 -15.699 0.603 0.924 1.00 0.00 C ATOM 1412 O SER A 97 -16.409 -0.377 0.706 1.00 0.00 O ATOM 1413 CB SER A 97 -16.759 1.863 2.828 1.00 0.00 C ATOM 1414 OG SER A 97 -18.040 1.289 3.020 1.00 0.00 O ATOM 0 H SER A 97 -18.127 1.493 0.445 1.00 0.00 H new ATOM 0 HA SER A 97 -15.552 2.684 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.027 1.293 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.761 2.875 3.232 1.00 0.00 H new ATOM 0 HG SER A 97 -18.258 1.288 3.975 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.375 0.573 0.826 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.629 -0.625 0.479 1.00 0.00 C ATOM 1422 C VAL A 98 -12.910 -1.123 1.724 1.00 0.00 C ATOM 1423 O VAL A 98 -12.466 -0.329 2.556 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.659 -0.358 -0.687 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.431 -0.191 -1.992 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.774 0.869 -0.471 1.00 0.00 C ATOM 0 H VAL A 98 -13.786 1.390 0.987 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.311 -1.401 0.132 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.004 -1.228 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.732 -0.003 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.995 -1.100 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.119 0.650 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.116 0.998 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.400 1.754 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.174 0.731 0.429 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.785 -2.443 1.799 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.929 -3.142 2.744 1.00 0.00 C ATOM 1438 C ASN A 99 -10.536 -3.159 2.148 1.00 0.00 C ATOM 1439 O ASN A 99 -10.382 -3.175 0.920 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.390 -4.596 2.930 1.00 0.00 C ATOM 1441 CG ASN A 99 -13.024 -4.796 4.291 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -12.400 -4.583 5.325 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -14.269 -5.217 4.319 1.00 0.00 N ATOM 0 H ASN A 99 -13.295 -3.075 1.182 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.961 -2.642 3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.105 -4.857 2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.539 -5.268 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.735 -5.373 5.213 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.769 -5.388 3.447 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.532 -3.123 3.012 1.00 0.00 N ATOM 1451 CA LEU A 100 -8.126 -3.024 2.654 1.00 0.00 C ATOM 1452 C LEU A 100 -7.337 -3.821 3.715 1.00 0.00 C ATOM 1453 O LEU A 100 -7.616 -3.628 4.898 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.771 -1.516 2.625 1.00 0.00 C ATOM 1455 CG LEU A 100 -8.505 -0.613 1.617 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -8.274 0.859 1.973 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -8.032 -0.895 0.190 1.00 0.00 C ATOM 0 H LEU A 100 -9.681 -3.164 4.020 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.884 -3.440 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.948 -1.113 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.702 -1.430 2.432 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.572 -0.829 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.796 1.493 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.655 1.055 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.207 1.078 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.564 -0.245 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.961 -0.704 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.233 -1.937 -0.061 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.385 -4.696 3.340 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.475 -5.422 4.254 1.00 0.00 C ATOM 1471 C VAL A 101 -4.077 -4.850 4.086 1.00 0.00 C ATOM 1472 O VAL A 101 -3.588 -4.818 2.947 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.395 -6.942 3.935 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -4.511 -7.760 4.896 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -6.774 -7.606 3.940 1.00 0.00 C ATOM 0 H VAL A 101 -6.220 -4.927 2.360 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.862 -5.302 5.266 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.944 -6.957 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.517 -8.807 4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.490 -7.379 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.899 -7.673 5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.668 -8.667 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.230 -7.490 4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.407 -7.135 3.188 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.416 -4.507 5.204 1.00 0.00 N ATOM 1486 CA LEU A 102 -1.991 -4.197 5.235 1.00 0.00 C ATOM 1487 C LEU A 102 -1.246 -5.198 6.125 1.00 0.00 C ATOM 1488 O LEU A 102 -1.858 -5.907 6.929 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.658 -2.752 5.676 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.219 -1.575 4.858 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.527 -0.221 5.012 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.177 -1.780 3.354 1.00 0.00 C ATOM 0 H LEU A 102 -3.867 -4.439 6.116 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.654 -4.281 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.003 -2.633 6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.572 -2.654 5.691 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.222 -1.559 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.024 0.516 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.580 0.098 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.483 -0.310 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.591 -0.903 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.145 -1.925 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.765 -2.659 3.090 1.00 0.00 H new ATOM 1504 N CYS A 103 0.082 -5.225 5.998 1.00 0.00 N ATOM 1505 CA CYS A 103 1.000 -5.900 6.905 1.00 0.00 C ATOM 1506 C CYS A 103 2.093 -4.907 7.316 1.00 0.00 C ATOM 1507 O CYS A 103 2.667 -4.224 6.461 1.00 0.00 O ATOM 1508 CB CYS A 103 1.562 -7.151 6.216 1.00 0.00 C ATOM 1509 SG CYS A 103 2.686 -8.054 7.319 1.00 0.00 S ATOM 0 H CYS A 103 0.562 -4.758 5.229 1.00 0.00 H new ATOM 0 HA CYS A 103 0.494 -6.234 7.811 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.742 -7.803 5.914 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.092 -6.863 5.308 1.00 0.00 H new ATOM 0 HG CYS A 103 2.238 -9.260 7.503 1.00 0.00 H new ATOM 1515 N ARG A 104 2.368 -4.832 8.622 1.00 0.00 N ATOM 1516 CA ARG A 104 3.244 -3.862 9.269 1.00 0.00 C ATOM 1517 C ARG A 104 4.565 -4.502 9.639 1.00 0.00 C ATOM 1518 O ARG A 104 4.569 -5.461 10.416 1.00 0.00 O ATOM 1519 CB ARG A 104 2.547 -3.329 10.533 1.00 0.00 C ATOM 1520 CG ARG A 104 3.134 -1.975 10.972 1.00 0.00 C ATOM 1521 CD ARG A 104 2.115 -1.127 11.745 1.00 0.00 C ATOM 1522 NE ARG A 104 1.111 -0.523 10.866 1.00 0.00 N ATOM 1523 CZ ARG A 104 -0.005 0.094 11.264 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.303 0.228 12.554 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.847 0.570 10.364 1.00 0.00 N ATOM 0 H ARG A 104 1.960 -5.486 9.290 1.00 0.00 H new ATOM 0 HA ARG A 104 3.444 -3.041 8.580 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.479 -3.219 10.342 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.654 -4.052 11.341 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.011 -2.146 11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.471 -1.425 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.616 -1.750 12.487 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.639 -0.341 12.289 1.00 0.00 H new ATOM 0 HE ARG A 104 1.279 -0.578 9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.327 -0.145 13.264 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.161 0.703 12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.644 0.466 9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.700 1.042 10.663 1.00 0.00 H new ATOM 1539 N GLY A 105 5.683 -3.971 9.150 1.00 0.00 N ATOM 1540 CA GLY A 105 7.013 -4.468 9.505 1.00 0.00 C ATOM 1541 C GLY A 105 7.990 -4.565 8.343 1.00 0.00 C ATOM 1542 O GLY A 105 9.095 -5.080 8.527 1.00 0.00 O ATOM 0 H GLY A 105 5.695 -3.186 8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.439 -3.813 10.265 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.908 -5.455 9.956 1.00 0.00 H new ATOM 1546 N TYR A 106 7.614 -4.108 7.149 1.00 0.00 N ATOM 1547 CA TYR A 106 8.565 -3.917 6.062 1.00 0.00 C ATOM 1548 C TYR A 106 9.081 -2.480 6.125 1.00 0.00 C ATOM 1549 O TYR A 106 8.358 -1.604 6.604 1.00 0.00 O ATOM 1550 CB TYR A 106 7.906 -4.269 4.727 1.00 0.00 C ATOM 1551 CG TYR A 106 7.834 -5.777 4.574 1.00 0.00 C ATOM 1552 CD1 TYR A 106 6.821 -6.524 5.207 1.00 0.00 C ATOM 1553 CD2 TYR A 106 8.886 -6.445 3.925 1.00 0.00 C ATOM 1554 CE1 TYR A 106 6.895 -7.925 5.246 1.00 0.00 C ATOM 1555 CE2 TYR A 106 8.968 -7.844 3.954 1.00 0.00 C ATOM 1556 CZ TYR A 106 7.991 -8.586 4.654 1.00 0.00 C ATOM 1557 OH TYR A 106 8.110 -9.933 4.781 1.00 0.00 O ATOM 0 H TYR A 106 6.652 -3.863 6.912 1.00 0.00 H new ATOM 0 HA TYR A 106 9.422 -4.583 6.160 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.905 -3.841 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.476 -3.837 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.984 -6.017 5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 106 9.638 -5.876 3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.115 -8.495 5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 106 9.773 -8.352 3.444 1.00 0.00 H new ATOM 0 HH TYR A 106 8.918 -10.235 4.316 1.00 0.00 H new ATOM 1567 N PRO A 107 10.333 -2.233 5.706 1.00 0.00 N ATOM 1568 CA PRO A 107 10.927 -0.911 5.785 1.00 0.00 C ATOM 1569 C PRO A 107 10.371 0.005 4.695 1.00 0.00 C ATOM 1570 O PRO A 107 9.721 -0.438 3.745 1.00 0.00 O ATOM 1571 CB PRO A 107 12.424 -1.146 5.607 1.00 0.00 C ATOM 1572 CG PRO A 107 12.478 -2.364 4.685 1.00 0.00 C ATOM 1573 CD PRO A 107 11.284 -3.191 5.156 1.00 0.00 C ATOM 0 HA PRO A 107 10.705 -0.414 6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.917 -0.282 5.162 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.917 -1.339 6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.388 -2.083 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.416 -2.910 4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.844 -3.749 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.585 -3.920 5.908 1.00 0.00 H new ATOM 1581 N LEU A 108 10.655 1.301 4.812 1.00 0.00 N ATOM 1582 CA LEU A 108 10.288 2.265 3.788 1.00 0.00 C ATOM 1583 C LEU A 108 11.302 2.166 2.636 1.00 0.00 C ATOM 1584 O LEU A 108 12.498 2.005 2.890 1.00 0.00 O ATOM 1585 CB LEU A 108 10.303 3.689 4.362 1.00 0.00 C ATOM 1586 CG LEU A 108 9.264 3.916 5.478 1.00 0.00 C ATOM 1587 CD1 LEU A 108 9.734 5.030 6.415 1.00 0.00 C ATOM 1588 CD2 LEU A 108 7.890 4.275 4.914 1.00 0.00 C ATOM 0 H LEU A 108 11.141 1.705 5.613 1.00 0.00 H new ATOM 0 HA LEU A 108 9.282 2.047 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.297 3.903 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.118 4.399 3.556 1.00 0.00 H new ATOM 0 HG LEU A 108 9.170 2.980 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.993 5.182 7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.686 4.749 6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.858 5.953 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.188 4.426 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 108 7.965 5.191 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.535 3.464 4.278 1.00 0.00 H new ATOM 1600 N PRO A 109 10.861 2.335 1.381 1.00 0.00 N ATOM 1601 CA PRO A 109 11.742 2.495 0.227 1.00 0.00 C ATOM 1602 C PRO A 109 12.357 3.898 0.159 1.00 0.00 C ATOM 1603 O PRO A 109 13.410 4.113 -0.451 1.00 0.00 O ATOM 1604 CB PRO A 109 10.820 2.251 -0.966 1.00 0.00 C ATOM 1605 CG PRO A 109 9.450 2.730 -0.497 1.00 0.00 C ATOM 1606 CD PRO A 109 9.461 2.401 0.987 1.00 0.00 C ATOM 0 HA PRO A 109 12.592 1.814 0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 109 11.154 2.803 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 109 10.799 1.197 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.314 3.797 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.643 2.216 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.932 3.164 1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.958 1.453 1.179 1.00 0.00 H new