USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 801 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 40 LYS NZ :NH3+ -138:sc= -1.32 (180deg=-5.76!) USER MOD Set 1.2: A 82 MET CE :methyl 161:sc= -0.868 (180deg=-1.71) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -0.444 X(o=-0.56,f=-0.35) USER MOD Set 2.2: A 29 ASN : amide:sc= -0.113 K(o=-0.56,f=-3.6!) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= -0.193 USER MOD Set 3.2: A 11 GLN : amide:sc= 0 X(o=-0.19,f=-0.19) USER MOD Single : A 7 TYR OH : rot 63:sc= 1.25 USER MOD Single : A 16 TYR OH : rot 180:sc=-0.00371 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0876) USER MOD Single : A 33 SER OG : rot 60:sc= 1.31 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0.885 (180deg=0.701) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= 0.288 K(o=0.29,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 1.15 (180deg=1.03) USER MOD Single : A 64 MET CE :methyl 172:sc= -0.934 (180deg=-1.22) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0343) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 73 ASN : amide:sc= -0.749 K(o=-0.75,f=-0.012) USER MOD Single : A 75 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.575 K(o=-0.58,f=0) USER MOD Single : A 85 TYR OH : rot 151:sc= 0.187 USER MOD Single : A 88 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0733) USER MOD Single : A 90 HIS : no HD1:sc= -0.788 X(o=-0.79,f=-0.75) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 1.803 -11.349 9.945 1.00 72.23 N ATOM 92 CA TYR A 7 0.572 -11.331 9.163 1.00 4.13 C ATOM 93 C TYR A 7 0.798 -10.650 7.824 1.00 63.04 C ATOM 94 O TYR A 7 1.628 -9.753 7.720 1.00 31.14 O ATOM 95 CB TYR A 7 -0.557 -10.645 9.944 1.00 0.14 C ATOM 96 CG TYR A 7 -0.085 -9.588 10.921 1.00 40.12 C ATOM 97 CD1 TYR A 7 0.060 -8.261 10.537 1.00 32.22 C ATOM 98 CD2 TYR A 7 0.206 -9.924 12.238 1.00 3.22 C ATOM 99 CE1 TYR A 7 0.485 -7.301 11.438 1.00 32.15 C ATOM 100 CE2 TYR A 7 0.630 -8.973 13.142 1.00 14.15 C ATOM 101 CZ TYR A 7 0.766 -7.663 12.740 1.00 62.33 C ATOM 102 OH TYR A 7 1.191 -6.714 13.642 1.00 2.23 O ATOM 0 HA TYR A 7 0.272 -12.361 8.972 1.00 4.13 H new ATOM 0 HB2 TYR A 7 -1.247 -10.186 9.235 1.00 0.14 H new ATOM 0 HB3 TYR A 7 -1.118 -11.403 10.490 1.00 0.14 H new ATOM 0 HD1 TYR A 7 -0.162 -7.974 9.520 1.00 32.22 H new ATOM 0 HD2 TYR A 7 0.098 -10.949 12.559 1.00 3.22 H new ATOM 0 HE1 TYR A 7 0.596 -6.274 11.124 1.00 32.15 H new ATOM 0 HE2 TYR A 7 0.854 -9.254 14.160 1.00 14.15 H new ATOM 0 HH TYR A 7 0.485 -6.047 13.772 1.00 2.23 H new ATOM 112 N THR A 8 0.039 -11.073 6.816 1.00 72.31 N ATOM 113 CA THR A 8 0.274 -10.666 5.432 1.00 20.31 C ATOM 114 C THR A 8 0.269 -9.150 5.255 1.00 23.01 C ATOM 115 O THR A 8 -0.276 -8.414 6.077 1.00 52.01 O ATOM 116 CB THR A 8 -0.787 -11.267 4.491 1.00 14.34 C ATOM 117 OG1 THR A 8 -2.078 -10.718 4.794 1.00 13.34 O ATOM 118 CG2 THR A 8 -0.824 -12.784 4.621 1.00 21.02 C ATOM 0 H THR A 8 -0.753 -11.705 6.934 1.00 72.31 H new ATOM 0 HA THR A 8 1.264 -11.043 5.177 1.00 20.31 H new ATOM 0 HB THR A 8 -0.521 -11.014 3.465 1.00 14.34 H new ATOM 0 HG1 THR A 8 -2.747 -11.103 4.191 1.00 13.34 H new ATOM 0 HG21 THR A 8 -1.580 -13.189 3.948 1.00 21.02 H new ATOM 0 HG22 THR A 8 0.151 -13.195 4.361 1.00 21.02 H new ATOM 0 HG23 THR A 8 -1.070 -13.055 5.648 1.00 21.02 H new ATOM 126 N VAL A 9 0.863 -8.696 4.154 1.00 33.11 N ATOM 127 CA VAL A 9 0.881 -7.281 3.809 1.00 62.21 C ATOM 128 C VAL A 9 -0.548 -6.717 3.743 1.00 32.02 C ATOM 129 O VAL A 9 -0.770 -5.516 3.919 1.00 1.24 O ATOM 130 CB VAL A 9 1.620 -7.057 2.466 1.00 30.10 C ATOM 131 CG1 VAL A 9 0.907 -7.762 1.322 1.00 43.35 C ATOM 132 CG2 VAL A 9 1.786 -5.575 2.171 1.00 4.51 C ATOM 0 H VAL A 9 1.342 -9.295 3.482 1.00 33.11 H new ATOM 0 HA VAL A 9 1.421 -6.747 4.591 1.00 62.21 H new ATOM 0 HB VAL A 9 2.614 -7.493 2.560 1.00 30.10 H new ATOM 0 HG11 VAL A 9 1.449 -7.587 0.393 1.00 43.35 H new ATOM 0 HG12 VAL A 9 0.867 -8.833 1.523 1.00 43.35 H new ATOM 0 HG13 VAL A 9 -0.107 -7.372 1.230 1.00 43.35 H new ATOM 0 HG21 VAL A 9 2.308 -5.449 1.222 1.00 4.51 H new ATOM 0 HG22 VAL A 9 0.805 -5.104 2.111 1.00 4.51 H new ATOM 0 HG23 VAL A 9 2.364 -5.108 2.968 1.00 4.51 H new ATOM 142 N ALA A 10 -1.515 -7.598 3.499 1.00 72.23 N ATOM 143 CA ALA A 10 -2.917 -7.213 3.485 1.00 63.51 C ATOM 144 C ALA A 10 -3.417 -6.961 4.906 1.00 52.24 C ATOM 145 O ALA A 10 -3.973 -5.903 5.197 1.00 5.01 O ATOM 146 CB ALA A 10 -3.755 -8.290 2.805 1.00 31.40 C ATOM 0 H ALA A 10 -1.349 -8.586 3.308 1.00 72.23 H new ATOM 0 HA ALA A 10 -3.017 -6.288 2.918 1.00 63.51 H new ATOM 0 HB1 ALA A 10 -4.802 -7.988 2.802 1.00 31.40 H new ATOM 0 HB2 ALA A 10 -3.413 -8.423 1.779 1.00 31.40 H new ATOM 0 HB3 ALA A 10 -3.650 -9.229 3.348 1.00 31.40 H new ATOM 152 N GLN A 11 -3.174 -7.924 5.796 1.00 73.10 N ATOM 153 CA GLN A 11 -3.632 -7.829 7.180 1.00 64.44 C ATOM 154 C GLN A 11 -2.839 -6.779 7.948 1.00 61.10 C ATOM 155 O GLN A 11 -3.325 -6.214 8.922 1.00 22.24 O ATOM 156 CB GLN A 11 -3.521 -9.181 7.878 1.00 43.44 C ATOM 157 CG GLN A 11 -4.341 -10.271 7.216 1.00 12.54 C ATOM 158 CD GLN A 11 -4.315 -11.561 8.001 1.00 0.14 C ATOM 159 OE1 GLN A 11 -3.435 -12.402 7.810 1.00 64.03 O ATOM 160 NE2 GLN A 11 -5.275 -11.730 8.892 1.00 33.03 N ATOM 0 H GLN A 11 -2.662 -8.779 5.581 1.00 73.10 H new ATOM 0 HA GLN A 11 -4.679 -7.526 7.164 1.00 64.44 H new ATOM 0 HB2 GLN A 11 -2.475 -9.486 7.899 1.00 43.44 H new ATOM 0 HB3 GLN A 11 -3.842 -9.074 8.914 1.00 43.44 H new ATOM 0 HG2 GLN A 11 -5.372 -9.933 7.109 1.00 12.54 H new ATOM 0 HG3 GLN A 11 -3.959 -10.451 6.211 1.00 12.54 H new ATOM 0 HE21 GLN A 11 -5.985 -11.009 9.020 1.00 33.03 H new ATOM 0 HE22 GLN A 11 -5.306 -12.582 9.453 1.00 33.03 H new ATOM 169 N LEU A 12 -1.615 -6.523 7.503 1.00 11.42 N ATOM 170 CA LEU A 12 -0.789 -5.471 8.085 1.00 25.44 C ATOM 171 C LEU A 12 -1.498 -4.124 7.971 1.00 54.42 C ATOM 172 O LEU A 12 -1.510 -3.332 8.910 1.00 52.24 O ATOM 173 CB LEU A 12 0.572 -5.419 7.382 1.00 74.42 C ATOM 174 CG LEU A 12 1.552 -4.373 7.919 1.00 43.24 C ATOM 175 CD1 LEU A 12 1.950 -4.695 9.352 1.00 11.23 C ATOM 176 CD2 LEU A 12 2.781 -4.290 7.025 1.00 31.12 C ATOM 0 H LEU A 12 -1.171 -7.031 6.738 1.00 11.42 H new ATOM 0 HA LEU A 12 -0.627 -5.692 9.140 1.00 25.44 H new ATOM 0 HB2 LEU A 12 1.038 -6.401 7.458 1.00 74.42 H new ATOM 0 HB3 LEU A 12 0.407 -5.226 6.322 1.00 74.42 H new ATOM 0 HG LEU A 12 1.057 -3.402 7.915 1.00 43.24 H new ATOM 0 HD11 LEU A 12 2.647 -3.939 9.715 1.00 11.23 H new ATOM 0 HD12 LEU A 12 1.062 -4.702 9.984 1.00 11.23 H new ATOM 0 HD13 LEU A 12 2.427 -5.674 9.386 1.00 11.23 H new ATOM 0 HD21 LEU A 12 3.468 -3.542 7.420 1.00 31.12 H new ATOM 0 HD22 LEU A 12 3.277 -5.260 6.998 1.00 31.12 H new ATOM 0 HD23 LEU A 12 2.479 -4.008 6.016 1.00 31.12 H new ATOM 188 N ALA A 13 -2.113 -3.885 6.818 1.00 64.13 N ATOM 189 CA ALA A 13 -2.872 -2.662 6.600 1.00 74.43 C ATOM 190 C ALA A 13 -4.181 -2.706 7.381 1.00 14.41 C ATOM 191 O ALA A 13 -4.708 -1.677 7.799 1.00 12.24 O ATOM 192 CB ALA A 13 -3.136 -2.467 5.115 1.00 5.02 C ATOM 0 H ALA A 13 -2.100 -4.522 6.022 1.00 64.13 H new ATOM 0 HA ALA A 13 -2.288 -1.815 6.960 1.00 74.43 H new ATOM 0 HB1 ALA A 13 -3.704 -1.549 4.964 1.00 5.02 H new ATOM 0 HB2 ALA A 13 -2.187 -2.398 4.583 1.00 5.02 H new ATOM 0 HB3 ALA A 13 -3.706 -3.314 4.732 1.00 5.02 H new ATOM 198 N ASP A 14 -4.687 -3.917 7.583 1.00 13.22 N ATOM 199 CA ASP A 14 -5.917 -4.130 8.333 1.00 63.43 C ATOM 200 C ASP A 14 -5.727 -3.786 9.807 1.00 14.10 C ATOM 201 O ASP A 14 -6.560 -3.109 10.407 1.00 11.54 O ATOM 202 CB ASP A 14 -6.384 -5.581 8.181 1.00 52.11 C ATOM 203 CG ASP A 14 -7.534 -5.929 9.104 1.00 14.13 C ATOM 204 OD1 ASP A 14 -8.671 -5.494 8.835 1.00 13.24 O ATOM 205 OD2 ASP A 14 -7.309 -6.666 10.088 1.00 54.34 O ATOM 0 H ASP A 14 -4.258 -4.774 7.233 1.00 13.22 H new ATOM 0 HA ASP A 14 -6.682 -3.467 7.928 1.00 63.43 H new ATOM 0 HB2 ASP A 14 -6.688 -5.753 7.149 1.00 52.11 H new ATOM 0 HB3 ASP A 14 -5.547 -6.250 8.383 1.00 52.11 H new ATOM 210 N GLU A 15 -4.623 -4.240 10.389 1.00 24.24 N ATOM 211 CA GLU A 15 -4.343 -3.951 11.786 1.00 21.02 C ATOM 212 C GLU A 15 -3.928 -2.487 11.936 1.00 41.41 C ATOM 213 O GLU A 15 -4.239 -1.845 12.938 1.00 41.23 O ATOM 214 CB GLU A 15 -3.274 -4.908 12.345 1.00 23.04 C ATOM 215 CG GLU A 15 -1.831 -4.475 12.125 1.00 20.34 C ATOM 216 CD GLU A 15 -1.157 -4.068 13.423 1.00 73.42 C ATOM 217 OE1 GLU A 15 -0.794 -4.964 14.212 1.00 1.14 O ATOM 218 OE2 GLU A 15 -1.010 -2.855 13.675 1.00 44.50 O ATOM 0 H GLU A 15 -3.915 -4.804 9.919 1.00 24.24 H new ATOM 0 HA GLU A 15 -5.248 -4.112 12.371 1.00 21.02 H new ATOM 0 HB2 GLU A 15 -3.441 -5.026 13.416 1.00 23.04 H new ATOM 0 HB3 GLU A 15 -3.415 -5.888 11.890 1.00 23.04 H new ATOM 0 HG2 GLU A 15 -1.273 -5.292 11.667 1.00 20.34 H new ATOM 0 HG3 GLU A 15 -1.805 -3.640 11.425 1.00 20.34 H new ATOM 225 N TYR A 16 -3.258 -1.960 10.909 1.00 64.21 N ATOM 226 CA TYR A 16 -2.873 -0.552 10.868 1.00 13.24 C ATOM 227 C TYR A 16 -4.111 0.341 10.931 1.00 34.23 C ATOM 228 O TYR A 16 -4.099 1.407 11.562 1.00 73.40 O ATOM 229 CB TYR A 16 -2.078 -0.269 9.589 1.00 43.41 C ATOM 230 CG TYR A 16 -1.575 1.151 9.466 1.00 12.54 C ATOM 231 CD1 TYR A 16 -0.425 1.565 10.129 1.00 22.01 C ATOM 232 CD2 TYR A 16 -2.247 2.077 8.680 1.00 31.25 C ATOM 233 CE1 TYR A 16 0.037 2.862 10.013 1.00 43.52 C ATOM 234 CE2 TYR A 16 -1.790 3.376 8.559 1.00 60.04 C ATOM 235 CZ TYR A 16 -0.649 3.764 9.227 1.00 44.20 C ATOM 236 OH TYR A 16 -0.194 5.056 9.109 1.00 74.03 O ATOM 0 H TYR A 16 -2.970 -2.494 10.089 1.00 64.21 H new ATOM 0 HA TYR A 16 -2.246 -0.332 11.732 1.00 13.24 H new ATOM 0 HB2 TYR A 16 -1.226 -0.948 9.548 1.00 43.41 H new ATOM 0 HB3 TYR A 16 -2.707 -0.494 8.728 1.00 43.41 H new ATOM 0 HD1 TYR A 16 0.116 0.861 10.745 1.00 22.01 H new ATOM 0 HD2 TYR A 16 -3.142 1.778 8.154 1.00 31.25 H new ATOM 0 HE1 TYR A 16 0.931 3.168 10.535 1.00 43.52 H new ATOM 0 HE2 TYR A 16 -2.325 4.084 7.943 1.00 60.04 H new ATOM 0 HH TYR A 16 -0.791 5.561 8.518 1.00 74.03 H new ATOM 246 N PHE A 17 -5.177 -0.108 10.272 1.00 12.34 N ATOM 247 CA PHE A 17 -6.464 0.574 10.314 1.00 30.03 C ATOM 248 C PHE A 17 -6.934 0.709 11.758 1.00 42.42 C ATOM 249 O PHE A 17 -7.310 1.792 12.205 1.00 32.54 O ATOM 250 CB PHE A 17 -7.491 -0.215 9.489 1.00 63.13 C ATOM 251 CG PHE A 17 -8.877 0.379 9.478 1.00 70.34 C ATOM 252 CD1 PHE A 17 -9.776 0.095 10.493 1.00 70.53 C ATOM 253 CD2 PHE A 17 -9.281 1.218 8.453 1.00 4.05 C ATOM 254 CE1 PHE A 17 -11.046 0.636 10.485 1.00 50.44 C ATOM 255 CE2 PHE A 17 -10.553 1.762 8.439 1.00 31.30 C ATOM 256 CZ PHE A 17 -11.435 1.471 9.460 1.00 1.43 C ATOM 0 H PHE A 17 -5.171 -0.951 9.697 1.00 12.34 H new ATOM 0 HA PHE A 17 -6.359 1.572 9.888 1.00 30.03 H new ATOM 0 HB2 PHE A 17 -7.133 -0.288 8.462 1.00 63.13 H new ATOM 0 HB3 PHE A 17 -7.548 -1.231 9.880 1.00 63.13 H new ATOM 0 HD1 PHE A 17 -9.480 -0.558 11.301 1.00 70.53 H new ATOM 0 HD2 PHE A 17 -8.593 1.451 7.653 1.00 4.05 H new ATOM 0 HE1 PHE A 17 -11.736 0.405 11.283 1.00 50.44 H new ATOM 0 HE2 PHE A 17 -10.855 2.412 7.631 1.00 31.30 H new ATOM 0 HZ PHE A 17 -12.428 1.897 9.456 1.00 1.43 H new ATOM 266 N GLU A 18 -6.867 -0.396 12.488 1.00 41.01 N ATOM 267 CA GLU A 18 -7.324 -0.445 13.872 1.00 62.12 C ATOM 268 C GLU A 18 -6.486 0.465 14.773 1.00 62.31 C ATOM 269 O GLU A 18 -6.933 0.875 15.845 1.00 64.34 O ATOM 270 CB GLU A 18 -7.254 -1.882 14.389 1.00 65.31 C ATOM 271 CG GLU A 18 -8.099 -2.866 13.596 1.00 62.50 C ATOM 272 CD GLU A 18 -9.586 -2.614 13.740 1.00 24.25 C ATOM 273 OE1 GLU A 18 -10.159 -3.006 14.776 1.00 30.22 O ATOM 274 OE2 GLU A 18 -10.194 -2.041 12.814 1.00 71.41 O ATOM 0 H GLU A 18 -6.496 -1.280 12.140 1.00 41.01 H new ATOM 0 HA GLU A 18 -8.355 -0.091 13.897 1.00 62.12 H new ATOM 0 HB2 GLU A 18 -6.216 -2.214 14.371 1.00 65.31 H new ATOM 0 HB3 GLU A 18 -7.576 -1.899 15.430 1.00 65.31 H new ATOM 0 HG2 GLU A 18 -7.826 -2.806 12.543 1.00 62.50 H new ATOM 0 HG3 GLU A 18 -7.874 -3.880 13.926 1.00 62.50 H new ATOM 281 N ARG A 19 -5.265 0.768 14.343 1.00 33.11 N ATOM 282 CA ARG A 19 -4.361 1.587 15.145 1.00 64.31 C ATOM 283 C ARG A 19 -4.630 3.072 14.926 1.00 71.51 C ATOM 284 O ARG A 19 -5.023 3.790 15.846 1.00 70.42 O ATOM 285 CB ARG A 19 -2.896 1.301 14.800 1.00 42.13 C ATOM 286 CG ARG A 19 -2.532 -0.172 14.720 1.00 10.03 C ATOM 287 CD ARG A 19 -2.783 -0.913 16.021 1.00 5.32 C ATOM 288 NE ARG A 19 -2.348 -2.304 15.921 1.00 11.40 N ATOM 289 CZ ARG A 19 -2.489 -3.218 16.879 1.00 22.33 C ATOM 290 NH1 ARG A 19 -3.068 -2.907 18.035 1.00 34.53 N ATOM 291 NH2 ARG A 19 -2.044 -4.452 16.678 1.00 0.05 N ATOM 0 H ARG A 19 -4.880 0.461 13.450 1.00 33.11 H new ATOM 0 HA ARG A 19 -4.544 1.330 16.188 1.00 64.31 H new ATOM 0 HB2 ARG A 19 -2.665 1.769 13.843 1.00 42.13 H new ATOM 0 HB3 ARG A 19 -2.262 1.776 15.549 1.00 42.13 H new ATOM 0 HG2 ARG A 19 -3.109 -0.641 13.923 1.00 10.03 H new ATOM 0 HG3 ARG A 19 -1.480 -0.267 14.450 1.00 10.03 H new ATOM 0 HD2 ARG A 19 -2.251 -0.419 16.834 1.00 5.32 H new ATOM 0 HD3 ARG A 19 -3.844 -0.876 16.266 1.00 5.32 H new ATOM 0 HE ARG A 19 -1.903 -2.597 15.052 1.00 11.40 H new ATOM 0 HH11 ARG A 19 -3.410 -1.960 18.195 1.00 34.53 H new ATOM 0 HH12 ARG A 19 -3.170 -3.616 18.761 1.00 34.53 H new ATOM 0 HH21 ARG A 19 -1.597 -4.695 15.794 1.00 0.05 H new ATOM 0 HH22 ARG A 19 -2.149 -5.157 17.408 1.00 0.05 H new ATOM 305 N MET A 20 -4.426 3.526 13.693 1.00 54.31 N ATOM 306 CA MET A 20 -4.424 4.957 13.397 1.00 50.33 C ATOM 307 C MET A 20 -5.817 5.474 13.056 1.00 33.53 C ATOM 308 O MET A 20 -6.134 6.638 13.299 1.00 60.32 O ATOM 309 CB MET A 20 -3.473 5.254 12.232 1.00 13.15 C ATOM 310 CG MET A 20 -2.053 4.753 12.443 1.00 33.53 C ATOM 311 SD MET A 20 -1.284 5.426 13.931 1.00 62.43 S ATOM 312 CE MET A 20 0.295 4.576 13.901 1.00 44.20 C ATOM 0 H MET A 20 -4.260 2.927 12.884 1.00 54.31 H new ATOM 0 HA MET A 20 -4.085 5.471 14.296 1.00 50.33 H new ATOM 0 HB2 MET A 20 -3.875 4.802 11.325 1.00 13.15 H new ATOM 0 HB3 MET A 20 -3.445 6.331 12.066 1.00 13.15 H new ATOM 0 HG2 MET A 20 -2.063 3.665 12.506 1.00 33.53 H new ATOM 0 HG3 MET A 20 -1.447 5.017 11.576 1.00 33.53 H new ATOM 0 HE1 MET A 20 0.891 4.885 14.760 1.00 44.20 H new ATOM 0 HE2 MET A 20 0.130 3.499 13.942 1.00 44.20 H new ATOM 0 HE3 MET A 20 0.826 4.826 12.982 1.00 44.20 H new ATOM 322 N ILE A 21 -6.655 4.602 12.525 1.00 50.42 N ATOM 323 CA ILE A 21 -7.961 5.004 12.019 1.00 3.44 C ATOM 324 C ILE A 21 -9.043 4.688 13.057 1.00 3.24 C ATOM 325 O ILE A 21 -10.201 4.421 12.737 1.00 34.02 O ATOM 326 CB ILE A 21 -8.245 4.311 10.661 1.00 74.12 C ATOM 327 CG1 ILE A 21 -7.005 4.434 9.764 1.00 12.00 C ATOM 328 CG2 ILE A 21 -9.451 4.935 9.966 1.00 74.53 C ATOM 329 CD1 ILE A 21 -7.149 3.788 8.403 1.00 75.41 C ATOM 0 H ILE A 21 -6.456 3.606 12.431 1.00 50.42 H new ATOM 0 HA ILE A 21 -7.969 6.080 11.846 1.00 3.44 H new ATOM 0 HB ILE A 21 -8.470 3.260 10.845 1.00 74.12 H new ATOM 0 HG12 ILE A 21 -6.774 5.490 9.628 1.00 12.00 H new ATOM 0 HG13 ILE A 21 -6.155 3.985 10.277 1.00 12.00 H new ATOM 0 HG21 ILE A 21 -9.626 4.429 9.017 1.00 74.53 H new ATOM 0 HG22 ILE A 21 -10.331 4.830 10.601 1.00 74.53 H new ATOM 0 HG23 ILE A 21 -9.259 5.992 9.783 1.00 74.53 H new ATOM 0 HD11 ILE A 21 -6.227 3.923 7.837 1.00 75.41 H new ATOM 0 HD12 ILE A 21 -7.348 2.723 8.525 1.00 75.41 H new ATOM 0 HD13 ILE A 21 -7.976 4.252 7.866 1.00 75.41 H new ATOM 341 N ALA A 22 -8.640 4.740 14.317 1.00 51.54 N ATOM 342 CA ALA A 22 -9.561 4.580 15.428 1.00 42.13 C ATOM 343 C ALA A 22 -9.624 5.865 16.249 1.00 34.13 C ATOM 344 O ALA A 22 -8.716 6.700 16.178 1.00 22.15 O ATOM 345 CB ALA A 22 -9.140 3.411 16.302 1.00 41.21 C ATOM 0 H ALA A 22 -7.671 4.893 14.596 1.00 51.54 H new ATOM 0 HA ALA A 22 -10.554 4.372 15.031 1.00 42.13 H new ATOM 0 HB1 ALA A 22 -9.841 3.305 17.130 1.00 41.21 H new ATOM 0 HB2 ALA A 22 -9.137 2.496 15.709 1.00 41.21 H new ATOM 0 HB3 ALA A 22 -8.139 3.592 16.695 1.00 41.21 H new ATOM 351 N GLY A 23 -10.690 6.026 17.019 1.00 3.42 N ATOM 352 CA GLY A 23 -10.851 7.220 17.829 1.00 51.45 C ATOM 353 C GLY A 23 -11.557 8.332 17.075 1.00 35.23 C ATOM 354 O GLY A 23 -12.673 8.716 17.424 1.00 13.33 O ATOM 0 H GLY A 23 -11.450 5.350 17.099 1.00 3.42 H new ATOM 0 HA2 GLY A 23 -11.419 6.974 18.727 1.00 51.45 H new ATOM 0 HA3 GLY A 23 -9.872 7.570 18.157 1.00 51.45 H new ATOM 358 N ARG A 24 -10.909 8.835 16.031 1.00 34.41 N ATOM 359 CA ARG A 24 -11.472 9.875 15.192 1.00 35.42 C ATOM 360 C ARG A 24 -10.921 9.749 13.781 1.00 31.43 C ATOM 361 O ARG A 24 -9.718 9.838 13.547 1.00 52.44 O ATOM 362 CB ARG A 24 -11.235 11.274 15.783 1.00 34.13 C ATOM 363 CG ARG A 24 -9.845 11.508 16.356 1.00 14.14 C ATOM 364 CD ARG A 24 -8.854 11.970 15.301 1.00 31.13 C ATOM 365 NE ARG A 24 -7.534 12.237 15.869 1.00 14.01 N ATOM 366 CZ ARG A 24 -6.424 12.356 15.146 1.00 23.35 C ATOM 367 NH1 ARG A 24 -6.475 12.243 13.823 1.00 42.11 N ATOM 368 NH2 ARG A 24 -5.266 12.591 15.747 1.00 63.33 N ATOM 0 H ARG A 24 -9.978 8.530 15.746 1.00 34.41 H new ATOM 0 HA ARG A 24 -12.553 9.744 15.150 1.00 35.42 H new ATOM 0 HB2 ARG A 24 -11.420 12.015 15.006 1.00 34.13 H new ATOM 0 HB3 ARG A 24 -11.969 11.448 16.570 1.00 34.13 H new ATOM 0 HG2 ARG A 24 -9.902 12.254 17.148 1.00 14.14 H new ATOM 0 HG3 ARG A 24 -9.483 10.586 16.812 1.00 14.14 H new ATOM 0 HD2 ARG A 24 -8.768 11.208 14.526 1.00 31.13 H new ATOM 0 HD3 ARG A 24 -9.231 12.873 14.820 1.00 31.13 H new ATOM 0 HE ARG A 24 -7.460 12.338 16.881 1.00 14.01 H new ATOM 0 HH11 ARG A 24 -7.366 12.065 13.360 1.00 42.11 H new ATOM 0 HH12 ARG A 24 -5.623 12.335 13.270 1.00 42.11 H new ATOM 0 HH21 ARG A 24 -5.227 12.680 16.762 1.00 63.33 H new ATOM 0 HH22 ARG A 24 -4.414 12.683 15.194 1.00 63.33 H new ATOM 382 N TRP A 25 -11.818 9.481 12.864 1.00 73.30 N ATOM 383 CA TRP A 25 -11.458 9.222 11.480 1.00 4.31 C ATOM 384 C TRP A 25 -12.529 9.741 10.518 1.00 43.52 C ATOM 385 O TRP A 25 -12.205 10.414 9.540 1.00 2.25 O ATOM 386 CB TRP A 25 -11.217 7.715 11.277 1.00 55.40 C ATOM 387 CG TRP A 25 -12.438 6.866 11.484 1.00 60.14 C ATOM 388 CD1 TRP A 25 -13.177 6.260 10.514 1.00 44.44 C ATOM 389 CD2 TRP A 25 -13.076 6.548 12.729 1.00 3.41 C ATOM 390 NE1 TRP A 25 -14.232 5.584 11.079 1.00 0.50 N ATOM 391 CE2 TRP A 25 -14.192 5.749 12.433 1.00 62.43 C ATOM 392 CE3 TRP A 25 -12.813 6.861 14.062 1.00 41.23 C ATOM 393 CZ2 TRP A 25 -15.043 5.264 13.418 1.00 40.52 C ATOM 394 CZ3 TRP A 25 -13.656 6.380 15.039 1.00 72.24 C ATOM 395 CH2 TRP A 25 -14.759 5.590 14.714 1.00 11.33 C ATOM 0 H TRP A 25 -12.820 9.435 13.050 1.00 73.30 H new ATOM 0 HA TRP A 25 -10.536 9.760 11.257 1.00 4.31 H new ATOM 0 HB2 TRP A 25 -10.840 7.551 10.267 1.00 55.40 H new ATOM 0 HB3 TRP A 25 -10.438 7.386 11.965 1.00 55.40 H new ATOM 0 HD1 TRP A 25 -12.965 6.304 9.456 1.00 44.44 H new ATOM 0 HE1 TRP A 25 -14.932 5.046 10.568 1.00 0.50 H new ATOM 0 HE3 TRP A 25 -11.961 7.471 14.324 1.00 41.23 H new ATOM 0 HZ2 TRP A 25 -15.897 4.652 13.169 1.00 40.52 H new ATOM 0 HZ3 TRP A 25 -13.460 6.618 16.074 1.00 72.24 H new ATOM 0 HH2 TRP A 25 -15.402 5.229 15.503 1.00 11.33 H new ATOM 406 N LYS A 26 -13.800 9.456 10.830 1.00 40.52 N ATOM 407 CA LYS A 26 -14.935 9.838 9.983 1.00 31.41 C ATOM 408 C LYS A 26 -14.896 9.163 8.611 1.00 0.41 C ATOM 409 O LYS A 26 -14.012 9.421 7.795 1.00 3.55 O ATOM 410 CB LYS A 26 -15.019 11.357 9.832 1.00 23.11 C ATOM 411 CG LYS A 26 -15.715 12.030 11.001 1.00 42.13 C ATOM 412 CD LYS A 26 -17.202 11.705 11.010 1.00 64.24 C ATOM 413 CE LYS A 26 -17.889 12.210 12.269 1.00 43.22 C ATOM 414 NZ LYS A 26 -17.617 13.650 12.518 1.00 10.30 N ATOM 0 H LYS A 26 -14.069 8.954 11.676 1.00 40.52 H new ATOM 0 HA LYS A 26 -15.834 9.485 10.488 1.00 31.41 H new ATOM 0 HB2 LYS A 26 -14.012 11.763 9.732 1.00 23.11 H new ATOM 0 HB3 LYS A 26 -15.552 11.597 8.912 1.00 23.11 H new ATOM 0 HG2 LYS A 26 -15.262 11.702 11.937 1.00 42.13 H new ATOM 0 HG3 LYS A 26 -15.575 13.109 10.940 1.00 42.13 H new ATOM 0 HD2 LYS A 26 -17.676 12.151 10.135 1.00 64.24 H new ATOM 0 HD3 LYS A 26 -17.338 10.626 10.931 1.00 64.24 H new ATOM 0 HE2 LYS A 26 -18.964 12.055 12.181 1.00 43.22 H new ATOM 0 HE3 LYS A 26 -17.552 11.625 13.125 1.00 43.22 H new ATOM 0 HZ1 LYS A 26 -18.234 13.993 13.282 1.00 10.30 H new ATOM 0 HZ2 LYS A 26 -16.622 13.773 12.795 1.00 10.30 H new ATOM 0 HZ3 LYS A 26 -17.804 14.194 11.651 1.00 10.30 H new ATOM 428 N HIS A 27 -15.894 8.313 8.372 1.00 31.14 N ATOM 429 CA HIS A 27 -16.022 7.559 7.124 1.00 54.20 C ATOM 430 C HIS A 27 -14.828 6.642 6.889 1.00 64.04 C ATOM 431 O HIS A 27 -13.896 6.983 6.159 1.00 32.34 O ATOM 432 CB HIS A 27 -16.225 8.489 5.927 1.00 33.23 C ATOM 433 CG HIS A 27 -17.634 8.502 5.415 1.00 44.52 C ATOM 434 ND1 HIS A 27 -18.143 9.511 4.629 1.00 4.32 N ATOM 435 CD2 HIS A 27 -18.637 7.603 5.565 1.00 24.15 C ATOM 436 CE1 HIS A 27 -19.394 9.232 4.318 1.00 30.01 C ATOM 437 NE2 HIS A 27 -19.717 8.082 4.871 1.00 61.14 N ATOM 0 H HIS A 27 -16.641 8.127 9.042 1.00 31.14 H new ATOM 0 HA HIS A 27 -16.909 6.933 7.225 1.00 54.20 H new ATOM 0 HB2 HIS A 27 -15.940 9.502 6.211 1.00 33.23 H new ATOM 0 HB3 HIS A 27 -15.557 8.184 5.122 1.00 33.23 H new ATOM 0 HD2 HIS A 27 -18.593 6.681 6.126 1.00 24.15 H new ATOM 0 HE1 HIS A 27 -20.044 9.845 3.711 1.00 30.01 H new ATOM 0 HE2 HIS A 27 -20.624 7.622 4.795 1.00 61.14 H new ATOM 446 N PRO A 28 -14.854 5.453 7.504 1.00 15.11 N ATOM 447 CA PRO A 28 -13.767 4.483 7.389 1.00 52.25 C ATOM 448 C PRO A 28 -13.759 3.798 6.029 1.00 42.21 C ATOM 449 O PRO A 28 -12.721 3.330 5.557 1.00 1.44 O ATOM 450 CB PRO A 28 -14.083 3.471 8.488 1.00 71.11 C ATOM 451 CG PRO A 28 -15.561 3.535 8.648 1.00 63.21 C ATOM 452 CD PRO A 28 -15.950 4.959 8.362 1.00 3.11 C ATOM 0 HA PRO A 28 -12.786 4.949 7.487 1.00 52.25 H new ATOM 0 HB2 PRO A 28 -13.758 2.469 8.209 1.00 71.11 H new ATOM 0 HB3 PRO A 28 -13.573 3.724 9.418 1.00 71.11 H new ATOM 0 HG2 PRO A 28 -16.057 2.850 7.961 1.00 63.21 H new ATOM 0 HG3 PRO A 28 -15.857 3.245 9.656 1.00 63.21 H new ATOM 0 HD2 PRO A 28 -16.913 5.017 7.855 1.00 3.11 H new ATOM 0 HD3 PRO A 28 -16.036 5.543 9.278 1.00 3.11 H new ATOM 460 N ASN A 29 -14.924 3.760 5.395 1.00 72.43 N ATOM 461 CA ASN A 29 -15.086 3.078 4.119 1.00 40.35 C ATOM 462 C ASN A 29 -14.276 3.761 3.025 1.00 31.14 C ATOM 463 O ASN A 29 -13.834 3.108 2.083 1.00 4.41 O ATOM 464 CB ASN A 29 -16.565 3.001 3.714 1.00 51.22 C ATOM 465 CG ASN A 29 -17.199 4.359 3.462 1.00 71.13 C ATOM 466 OD1 ASN A 29 -16.861 5.355 4.107 1.00 65.51 O ATOM 467 ND2 ASN A 29 -18.128 4.405 2.520 1.00 3.14 N ATOM 0 H ASN A 29 -15.776 4.197 5.747 1.00 72.43 H new ATOM 0 HA ASN A 29 -14.711 2.062 4.243 1.00 40.35 H new ATOM 0 HB2 ASN A 29 -16.655 2.395 2.813 1.00 51.22 H new ATOM 0 HB3 ASN A 29 -17.122 2.490 4.499 1.00 51.22 H new ATOM 0 HD21 ASN A 29 -18.593 5.287 2.305 1.00 3.14 H new ATOM 0 HD22 ASN A 29 -18.379 3.558 2.009 1.00 3.14 H new ATOM 474 N ILE A 30 -14.063 5.066 3.164 1.00 5.03 N ATOM 475 CA ILE A 30 -13.282 5.819 2.189 1.00 5.12 C ATOM 476 C ILE A 30 -11.864 5.265 2.093 1.00 5.32 C ATOM 477 O ILE A 30 -11.381 4.940 1.006 1.00 21.32 O ATOM 478 CB ILE A 30 -13.224 7.322 2.543 1.00 23.15 C ATOM 479 CG1 ILE A 30 -14.629 7.928 2.508 1.00 63.51 C ATOM 480 CG2 ILE A 30 -12.291 8.067 1.591 1.00 51.22 C ATOM 481 CD1 ILE A 30 -14.662 9.409 2.824 1.00 14.01 C ATOM 0 H ILE A 30 -14.420 5.623 3.941 1.00 5.03 H new ATOM 0 HA ILE A 30 -13.780 5.711 1.226 1.00 5.12 H new ATOM 0 HB ILE A 30 -12.827 7.425 3.553 1.00 23.15 H new ATOM 0 HG12 ILE A 30 -15.060 7.767 1.520 1.00 63.51 H new ATOM 0 HG13 ILE A 30 -15.261 7.399 3.222 1.00 63.51 H new ATOM 0 HG21 ILE A 30 -12.266 9.123 1.859 1.00 51.22 H new ATOM 0 HG22 ILE A 30 -11.287 7.650 1.665 1.00 51.22 H new ATOM 0 HG23 ILE A 30 -12.654 7.961 0.569 1.00 51.22 H new ATOM 0 HD11 ILE A 30 -15.690 9.768 2.780 1.00 14.01 H new ATOM 0 HD12 ILE A 30 -14.262 9.577 3.824 1.00 14.01 H new ATOM 0 HD13 ILE A 30 -14.058 9.950 2.096 1.00 14.01 H new ATOM 493 N VAL A 31 -11.202 5.138 3.236 1.00 72.42 N ATOM 494 CA VAL A 31 -9.843 4.626 3.256 1.00 4.30 C ATOM 495 C VAL A 31 -9.836 3.106 3.066 1.00 23.44 C ATOM 496 O VAL A 31 -8.928 2.563 2.446 1.00 64.32 O ATOM 497 CB VAL A 31 -9.089 5.025 4.552 1.00 40.53 C ATOM 498 CG1 VAL A 31 -9.741 4.430 5.787 1.00 24.30 C ATOM 499 CG2 VAL A 31 -7.622 4.629 4.469 1.00 35.41 C ATOM 0 H VAL A 31 -11.581 5.380 4.151 1.00 72.42 H new ATOM 0 HA VAL A 31 -9.311 5.083 2.422 1.00 4.30 H new ATOM 0 HB VAL A 31 -9.147 6.110 4.643 1.00 40.53 H new ATOM 0 HG11 VAL A 31 -9.184 4.732 6.674 1.00 24.30 H new ATOM 0 HG12 VAL A 31 -10.768 4.787 5.864 1.00 24.30 H new ATOM 0 HG13 VAL A 31 -9.740 3.343 5.711 1.00 24.30 H new ATOM 0 HG21 VAL A 31 -7.114 4.919 5.389 1.00 35.41 H new ATOM 0 HG22 VAL A 31 -7.543 3.550 4.336 1.00 35.41 H new ATOM 0 HG23 VAL A 31 -7.156 5.134 3.623 1.00 35.41 H new ATOM 509 N ARG A 32 -10.873 2.428 3.564 1.00 21.12 N ATOM 510 CA ARG A 32 -11.004 0.982 3.377 1.00 51.33 C ATOM 511 C ARG A 32 -11.097 0.623 1.899 1.00 74.02 C ATOM 512 O ARG A 32 -10.505 -0.361 1.462 1.00 35.43 O ATOM 513 CB ARG A 32 -12.225 0.439 4.120 1.00 61.43 C ATOM 514 CG ARG A 32 -11.928 -0.019 5.541 1.00 24.22 C ATOM 515 CD ARG A 32 -10.960 -1.196 5.563 1.00 75.52 C ATOM 516 NE ARG A 32 -10.796 -1.747 6.907 1.00 33.42 N ATOM 517 CZ ARG A 32 -10.016 -2.790 7.202 1.00 63.33 C ATOM 518 NH1 ARG A 32 -9.337 -3.429 6.253 1.00 51.20 N ATOM 519 NH2 ARG A 32 -9.929 -3.216 8.453 1.00 4.31 N ATOM 0 H ARG A 32 -11.630 2.855 4.097 1.00 21.12 H new ATOM 0 HA ARG A 32 -10.108 0.520 3.791 1.00 51.33 H new ATOM 0 HB2 ARG A 32 -12.993 1.212 4.151 1.00 61.43 H new ATOM 0 HB3 ARG A 32 -12.638 -0.398 3.557 1.00 61.43 H new ATOM 0 HG2 ARG A 32 -11.506 0.810 6.110 1.00 24.22 H new ATOM 0 HG3 ARG A 32 -12.858 -0.303 6.034 1.00 24.22 H new ATOM 0 HD2 ARG A 32 -11.323 -1.976 4.894 1.00 75.52 H new ATOM 0 HD3 ARG A 32 -9.990 -0.875 5.182 1.00 75.52 H new ATOM 0 HE ARG A 32 -11.311 -1.306 7.669 1.00 33.42 H new ATOM 0 HH11 ARG A 32 -9.408 -3.124 5.282 1.00 51.20 H new ATOM 0 HH12 ARG A 32 -8.746 -4.224 6.496 1.00 51.20 H new ATOM 0 HH21 ARG A 32 -10.457 -2.748 9.189 1.00 4.31 H new ATOM 0 HH22 ARG A 32 -9.334 -4.013 8.680 1.00 4.31 H new ATOM 533 N SER A 33 -11.826 1.430 1.129 1.00 44.55 N ATOM 534 CA SER A 33 -11.933 1.214 -0.310 1.00 41.22 C ATOM 535 C SER A 33 -10.545 1.209 -0.940 1.00 61.32 C ATOM 536 O SER A 33 -10.269 0.444 -1.864 1.00 2.23 O ATOM 537 CB SER A 33 -12.806 2.295 -0.956 1.00 44.13 C ATOM 538 OG SER A 33 -14.113 2.289 -0.410 1.00 42.53 O ATOM 0 H SER A 33 -12.348 2.234 1.477 1.00 44.55 H new ATOM 0 HA SER A 33 -12.404 0.246 -0.482 1.00 41.22 H new ATOM 0 HB2 SER A 33 -12.350 3.273 -0.805 1.00 44.13 H new ATOM 0 HB3 SER A 33 -12.857 2.130 -2.032 1.00 44.13 H new ATOM 0 HG SER A 33 -14.066 2.460 0.554 1.00 42.53 H new ATOM 544 N ARG A 34 -9.669 2.053 -0.410 1.00 31.44 N ATOM 545 CA ARG A 34 -8.302 2.128 -0.888 1.00 31.20 C ATOM 546 C ARG A 34 -7.475 0.969 -0.343 1.00 65.54 C ATOM 547 O ARG A 34 -6.772 0.312 -1.092 1.00 64.41 O ATOM 548 CB ARG A 34 -7.668 3.468 -0.508 1.00 32.43 C ATOM 549 CG ARG A 34 -8.299 4.650 -1.220 1.00 10.34 C ATOM 550 CD ARG A 34 -7.638 5.961 -0.833 1.00 61.34 C ATOM 551 NE ARG A 34 -8.192 7.089 -1.584 1.00 34.54 N ATOM 552 CZ ARG A 34 -7.982 8.369 -1.287 1.00 5.34 C ATOM 553 NH1 ARG A 34 -7.217 8.706 -0.254 1.00 21.51 N ATOM 554 NH2 ARG A 34 -8.532 9.311 -2.045 1.00 4.00 N ATOM 0 H ARG A 34 -9.885 2.695 0.353 1.00 31.44 H new ATOM 0 HA ARG A 34 -8.318 2.054 -1.975 1.00 31.20 H new ATOM 0 HB2 ARG A 34 -7.755 3.612 0.569 1.00 32.43 H new ATOM 0 HB3 ARG A 34 -6.603 3.438 -0.740 1.00 32.43 H new ATOM 0 HG2 ARG A 34 -8.221 4.508 -2.298 1.00 10.34 H new ATOM 0 HG3 ARG A 34 -9.361 4.694 -0.980 1.00 10.34 H new ATOM 0 HD2 ARG A 34 -7.771 6.134 0.235 1.00 61.34 H new ATOM 0 HD3 ARG A 34 -6.565 5.895 -1.014 1.00 61.34 H new ATOM 0 HE ARG A 34 -8.780 6.879 -2.391 1.00 34.54 H new ATOM 0 HH11 ARG A 34 -6.785 7.981 0.319 1.00 21.51 H new ATOM 0 HH12 ARG A 34 -7.062 9.690 -0.034 1.00 21.51 H new ATOM 0 HH21 ARG A 34 -9.108 9.050 -2.845 1.00 4.00 H new ATOM 0 HH22 ARG A 34 -8.378 10.295 -1.827 1.00 4.00 H new ATOM 568 N ILE A 35 -7.583 0.707 0.954 1.00 2.42 N ATOM 569 CA ILE A 35 -6.820 -0.367 1.590 1.00 43.32 C ATOM 570 C ILE A 35 -7.051 -1.712 0.896 1.00 75.24 C ATOM 571 O ILE A 35 -6.096 -2.409 0.545 1.00 41.03 O ATOM 572 CB ILE A 35 -7.169 -0.500 3.093 1.00 32.55 C ATOM 573 CG1 ILE A 35 -6.804 0.786 3.841 1.00 11.13 C ATOM 574 CG2 ILE A 35 -6.444 -1.693 3.704 1.00 54.13 C ATOM 575 CD1 ILE A 35 -7.184 0.764 5.306 1.00 41.55 C ATOM 0 H ILE A 35 -8.192 1.223 1.589 1.00 2.42 H new ATOM 0 HA ILE A 35 -5.768 -0.097 1.493 1.00 43.32 H new ATOM 0 HB ILE A 35 -8.243 -0.663 3.186 1.00 32.55 H new ATOM 0 HG12 ILE A 35 -5.730 0.954 3.755 1.00 11.13 H new ATOM 0 HG13 ILE A 35 -7.298 1.629 3.359 1.00 11.13 H new ATOM 0 HG21 ILE A 35 -6.700 -1.772 4.761 1.00 54.13 H new ATOM 0 HG22 ILE A 35 -6.745 -2.605 3.188 1.00 54.13 H new ATOM 0 HG23 ILE A 35 -5.368 -1.556 3.601 1.00 54.13 H new ATOM 0 HD11 ILE A 35 -6.895 1.707 5.771 1.00 41.55 H new ATOM 0 HD12 ILE A 35 -8.261 0.628 5.400 1.00 41.55 H new ATOM 0 HD13 ILE A 35 -6.669 -0.058 5.803 1.00 41.55 H new ATOM 587 N GLU A 36 -8.314 -2.055 0.674 1.00 75.50 N ATOM 588 CA GLU A 36 -8.662 -3.360 0.122 1.00 72.34 C ATOM 589 C GLU A 36 -8.341 -3.457 -1.370 1.00 34.34 C ATOM 590 O GLU A 36 -7.971 -4.522 -1.859 1.00 54.41 O ATOM 591 CB GLU A 36 -10.150 -3.660 0.332 1.00 21.34 C ATOM 592 CG GLU A 36 -10.633 -3.479 1.764 1.00 15.14 C ATOM 593 CD GLU A 36 -9.775 -4.204 2.781 1.00 53.24 C ATOM 594 OE1 GLU A 36 -9.703 -5.452 2.733 1.00 31.35 O ATOM 595 OE2 GLU A 36 -9.173 -3.524 3.635 1.00 35.32 O ATOM 0 H GLU A 36 -9.113 -1.450 0.867 1.00 75.50 H new ATOM 0 HA GLU A 36 -8.058 -4.095 0.654 1.00 72.34 H new ATOM 0 HB2 GLU A 36 -10.734 -3.011 -0.320 1.00 21.34 H new ATOM 0 HB3 GLU A 36 -10.348 -4.686 0.022 1.00 21.34 H new ATOM 0 HG2 GLU A 36 -10.648 -2.416 2.004 1.00 15.14 H new ATOM 0 HG3 GLU A 36 -11.659 -3.838 1.842 1.00 15.14 H new ATOM 602 N LYS A 37 -8.492 -2.352 -2.095 1.00 52.02 N ATOM 603 CA LYS A 37 -8.399 -2.385 -3.546 1.00 23.23 C ATOM 604 C LYS A 37 -7.127 -1.705 -4.054 1.00 3.44 C ATOM 605 O LYS A 37 -6.349 -2.309 -4.789 1.00 24.41 O ATOM 606 CB LYS A 37 -9.657 -1.739 -4.144 1.00 13.00 C ATOM 607 CG LYS A 37 -9.817 -1.942 -5.642 1.00 2.31 C ATOM 608 CD LYS A 37 -8.948 -0.984 -6.434 1.00 11.44 C ATOM 609 CE LYS A 37 -9.705 0.269 -6.846 1.00 45.24 C ATOM 610 NZ LYS A 37 -10.233 1.039 -5.684 1.00 44.51 N ATOM 0 H LYS A 37 -8.678 -1.429 -1.702 1.00 52.02 H new ATOM 0 HA LYS A 37 -8.339 -3.424 -3.869 1.00 23.23 H new ATOM 0 HB2 LYS A 37 -10.534 -2.145 -3.639 1.00 13.00 H new ATOM 0 HB3 LYS A 37 -9.635 -0.669 -3.935 1.00 13.00 H new ATOM 0 HG2 LYS A 37 -9.556 -2.968 -5.900 1.00 2.31 H new ATOM 0 HG3 LYS A 37 -10.862 -1.800 -5.919 1.00 2.31 H new ATOM 0 HD2 LYS A 37 -8.081 -0.703 -5.836 1.00 11.44 H new ATOM 0 HD3 LYS A 37 -8.571 -1.488 -7.324 1.00 11.44 H new ATOM 0 HE2 LYS A 37 -9.045 0.910 -7.430 1.00 45.24 H new ATOM 0 HE3 LYS A 37 -10.534 -0.011 -7.496 1.00 45.24 H new ATOM 0 HZ1 LYS A 37 -10.619 1.946 -6.015 1.00 44.51 H new ATOM 0 HZ2 LYS A 37 -10.985 0.492 -5.218 1.00 44.51 H new ATOM 0 HZ3 LYS A 37 -9.464 1.217 -5.007 1.00 44.51 H new ATOM 624 N ASP A 38 -6.923 -0.454 -3.668 1.00 72.04 N ATOM 625 CA ASP A 38 -5.808 0.340 -4.189 1.00 13.23 C ATOM 626 C ASP A 38 -4.484 -0.073 -3.555 1.00 65.25 C ATOM 627 O ASP A 38 -3.455 -0.131 -4.227 1.00 32.44 O ATOM 628 CB ASP A 38 -6.054 1.833 -3.942 1.00 23.01 C ATOM 629 CG ASP A 38 -7.251 2.365 -4.704 1.00 72.12 C ATOM 630 OD1 ASP A 38 -8.390 2.242 -4.200 1.00 25.24 O ATOM 631 OD2 ASP A 38 -7.066 2.917 -5.804 1.00 13.32 O ATOM 0 H ASP A 38 -7.512 0.038 -2.996 1.00 72.04 H new ATOM 0 HA ASP A 38 -5.746 0.155 -5.261 1.00 13.23 H new ATOM 0 HB2 ASP A 38 -6.204 2.000 -2.875 1.00 23.01 H new ATOM 0 HB3 ASP A 38 -5.166 2.395 -4.231 1.00 23.01 H new ATOM 636 N ILE A 39 -4.513 -0.348 -2.259 1.00 42.41 N ATOM 637 CA ILE A 39 -3.314 -0.741 -1.534 1.00 11.43 C ATOM 638 C ILE A 39 -2.987 -2.207 -1.809 1.00 22.13 C ATOM 639 O ILE A 39 -1.820 -2.597 -1.872 1.00 15.53 O ATOM 640 CB ILE A 39 -3.470 -0.513 -0.011 1.00 0.22 C ATOM 641 CG1 ILE A 39 -3.872 0.939 0.283 1.00 33.00 C ATOM 642 CG2 ILE A 39 -2.180 -0.856 0.719 1.00 60.13 C ATOM 643 CD1 ILE A 39 -2.845 1.965 -0.149 1.00 42.24 C ATOM 0 H ILE A 39 -5.356 -0.306 -1.687 1.00 42.41 H new ATOM 0 HA ILE A 39 -2.494 -0.115 -1.887 1.00 11.43 H new ATOM 0 HB ILE A 39 -4.260 -1.172 0.349 1.00 0.22 H new ATOM 0 HG12 ILE A 39 -4.816 1.152 -0.219 1.00 33.00 H new ATOM 0 HG13 ILE A 39 -4.049 1.046 1.353 1.00 33.00 H new ATOM 0 HG21 ILE A 39 -2.311 -0.689 1.788 1.00 60.13 H new ATOM 0 HG22 ILE A 39 -1.930 -1.902 0.544 1.00 60.13 H new ATOM 0 HG23 ILE A 39 -1.373 -0.223 0.349 1.00 60.13 H new ATOM 0 HD11 ILE A 39 -3.205 2.965 0.094 1.00 42.24 H new ATOM 0 HD12 ILE A 39 -1.905 1.781 0.372 1.00 42.24 H new ATOM 0 HD13 ILE A 39 -2.684 1.889 -1.224 1.00 42.24 H new ATOM 655 N LYS A 40 -4.025 -3.020 -1.961 1.00 64.21 N ATOM 656 CA LYS A 40 -3.860 -4.414 -2.352 1.00 15.35 C ATOM 657 C LYS A 40 -4.564 -4.689 -3.679 1.00 64.44 C ATOM 658 O LYS A 40 -5.652 -5.257 -3.701 1.00 55.54 O ATOM 659 CB LYS A 40 -4.403 -5.366 -1.276 1.00 32.23 C ATOM 660 CG LYS A 40 -3.375 -5.775 -0.234 1.00 11.25 C ATOM 661 CD LYS A 40 -2.978 -4.619 0.668 1.00 44.33 C ATOM 662 CE LYS A 40 -1.471 -4.540 0.814 1.00 33.21 C ATOM 663 NZ LYS A 40 -1.064 -3.622 1.909 1.00 3.03 N ATOM 0 H LYS A 40 -4.994 -2.736 -1.819 1.00 64.21 H new ATOM 0 HA LYS A 40 -2.791 -4.595 -2.467 1.00 15.35 H new ATOM 0 HB2 LYS A 40 -5.244 -4.888 -0.773 1.00 32.23 H new ATOM 0 HB3 LYS A 40 -4.790 -6.262 -1.761 1.00 32.23 H new ATOM 0 HG2 LYS A 40 -3.779 -6.585 0.373 1.00 11.25 H new ATOM 0 HG3 LYS A 40 -2.488 -6.164 -0.735 1.00 11.25 H new ATOM 0 HD2 LYS A 40 -3.357 -3.684 0.256 1.00 44.33 H new ATOM 0 HD3 LYS A 40 -3.436 -4.744 1.649 1.00 44.33 H new ATOM 0 HE2 LYS A 40 -1.073 -5.536 1.009 1.00 33.21 H new ATOM 0 HE3 LYS A 40 -1.033 -4.201 -0.125 1.00 33.21 H new ATOM 0 HZ1 LYS A 40 -0.254 -3.049 1.598 1.00 3.03 H new ATOM 0 HZ2 LYS A 40 -1.859 -2.996 2.150 1.00 3.03 H new ATOM 0 HZ3 LYS A 40 -0.795 -4.178 2.746 1.00 3.03 H new ATOM 677 N PRO A 41 -3.960 -4.278 -4.805 1.00 60.50 N ATOM 678 CA PRO A 41 -4.535 -4.488 -6.133 1.00 35.15 C ATOM 679 C PRO A 41 -4.356 -5.926 -6.609 1.00 53.03 C ATOM 680 O PRO A 41 -5.049 -6.382 -7.517 1.00 53.40 O ATOM 681 CB PRO A 41 -3.748 -3.523 -7.037 1.00 33.44 C ATOM 682 CG PRO A 41 -2.883 -2.718 -6.119 1.00 11.35 C ATOM 683 CD PRO A 41 -2.691 -3.554 -4.889 1.00 42.31 C ATOM 0 HA PRO A 41 -5.610 -4.307 -6.142 1.00 35.15 H new ATOM 0 HB2 PRO A 41 -3.146 -4.070 -7.762 1.00 33.44 H new ATOM 0 HB3 PRO A 41 -4.422 -2.880 -7.603 1.00 33.44 H new ATOM 0 HG2 PRO A 41 -1.926 -2.488 -6.587 1.00 11.35 H new ATOM 0 HG3 PRO A 41 -3.355 -1.766 -5.874 1.00 11.35 H new ATOM 0 HD2 PRO A 41 -1.842 -4.231 -4.985 1.00 42.31 H new ATOM 0 HD3 PRO A 41 -2.512 -2.942 -4.005 1.00 42.31 H new ATOM 691 N ALA A 42 -3.422 -6.631 -5.980 1.00 51.21 N ATOM 692 CA ALA A 42 -3.118 -8.013 -6.332 1.00 75.32 C ATOM 693 C ALA A 42 -2.229 -8.641 -5.272 1.00 75.45 C ATOM 694 O ALA A 42 -2.353 -9.822 -4.949 1.00 20.34 O ATOM 695 CB ALA A 42 -2.448 -8.088 -7.699 1.00 13.13 C ATOM 0 H ALA A 42 -2.857 -6.263 -5.215 1.00 51.21 H new ATOM 0 HA ALA A 42 -4.054 -8.569 -6.380 1.00 75.32 H new ATOM 0 HB1 ALA A 42 -2.230 -9.128 -7.941 1.00 13.13 H new ATOM 0 HB2 ALA A 42 -3.115 -7.672 -8.454 1.00 13.13 H new ATOM 0 HB3 ALA A 42 -1.519 -7.518 -7.681 1.00 13.13 H new ATOM 701 N ILE A 43 -1.333 -7.834 -4.730 1.00 52.42 N ATOM 702 CA ILE A 43 -0.430 -8.277 -3.680 1.00 3.11 C ATOM 703 C ILE A 43 -1.135 -8.333 -2.322 1.00 62.21 C ATOM 704 O ILE A 43 -0.908 -7.496 -1.447 1.00 61.44 O ATOM 705 CB ILE A 43 0.803 -7.358 -3.587 1.00 74.33 C ATOM 706 CG1 ILE A 43 0.377 -5.897 -3.754 1.00 72.22 C ATOM 707 CG2 ILE A 43 1.833 -7.745 -4.640 1.00 61.41 C ATOM 708 CD1 ILE A 43 1.453 -4.900 -3.391 1.00 42.33 C ATOM 0 H ILE A 43 -1.211 -6.859 -5.003 1.00 52.42 H new ATOM 0 HA ILE A 43 -0.103 -9.283 -3.942 1.00 3.11 H new ATOM 0 HB ILE A 43 1.262 -7.476 -2.605 1.00 74.33 H new ATOM 0 HG12 ILE A 43 0.077 -5.732 -4.789 1.00 72.22 H new ATOM 0 HG13 ILE A 43 -0.500 -5.712 -3.134 1.00 72.22 H new ATOM 0 HG21 ILE A 43 2.698 -7.087 -4.562 1.00 61.41 H new ATOM 0 HG22 ILE A 43 2.146 -8.777 -4.481 1.00 61.41 H new ATOM 0 HG23 ILE A 43 1.393 -7.649 -5.632 1.00 61.41 H new ATOM 0 HD11 ILE A 43 1.075 -3.888 -3.536 1.00 42.33 H new ATOM 0 HD12 ILE A 43 1.737 -5.035 -2.348 1.00 42.33 H new ATOM 0 HD13 ILE A 43 2.324 -5.056 -4.028 1.00 42.33 H new ATOM 720 N GLY A 44 -2.010 -9.310 -2.171 1.00 20.44 N ATOM 721 CA GLY A 44 -2.705 -9.510 -0.919 1.00 11.22 C ATOM 722 C GLY A 44 -2.738 -10.973 -0.551 1.00 24.43 C ATOM 723 O GLY A 44 -2.873 -11.823 -1.431 1.00 54.12 O ATOM 0 H GLY A 44 -2.255 -9.977 -2.903 1.00 20.44 H new ATOM 0 HA2 GLY A 44 -2.212 -8.943 -0.130 1.00 11.22 H new ATOM 0 HA3 GLY A 44 -3.723 -9.127 -0.998 1.00 11.22 H new ATOM 727 N SER A 45 -2.605 -11.270 0.742 1.00 3.54 N ATOM 728 CA SER A 45 -2.496 -12.651 1.212 1.00 61.03 C ATOM 729 C SER A 45 -1.338 -13.359 0.502 1.00 74.50 C ATOM 730 O SER A 45 -1.372 -14.562 0.261 1.00 45.02 O ATOM 731 CB SER A 45 -3.819 -13.391 0.983 1.00 10.55 C ATOM 732 OG SER A 45 -4.887 -12.737 1.653 1.00 12.41 O ATOM 0 H SER A 45 -2.570 -10.571 1.484 1.00 3.54 H new ATOM 0 HA SER A 45 -2.288 -12.650 2.282 1.00 61.03 H new ATOM 0 HB2 SER A 45 -4.031 -13.443 -0.085 1.00 10.55 H new ATOM 0 HB3 SER A 45 -3.733 -14.417 1.341 1.00 10.55 H new ATOM 0 HG SER A 45 -5.722 -13.225 1.492 1.00 12.41 H new ATOM 738 N LEU A 46 -0.303 -12.584 0.203 1.00 63.32 N ATOM 739 CA LEU A 46 0.869 -13.063 -0.516 1.00 12.04 C ATOM 740 C LEU A 46 2.097 -12.934 0.389 1.00 31.53 C ATOM 741 O LEU A 46 3.209 -12.708 -0.075 1.00 74.50 O ATOM 742 CB LEU A 46 1.041 -12.222 -1.795 1.00 71.31 C ATOM 743 CG LEU A 46 2.188 -12.620 -2.730 1.00 22.45 C ATOM 744 CD1 LEU A 46 1.944 -13.988 -3.341 1.00 61.01 C ATOM 745 CD2 LEU A 46 2.372 -11.574 -3.816 1.00 51.40 C ATOM 0 H LEU A 46 -0.254 -11.597 0.455 1.00 63.32 H new ATOM 0 HA LEU A 46 0.750 -14.110 -0.794 1.00 12.04 H new ATOM 0 HB2 LEU A 46 0.110 -12.267 -2.360 1.00 71.31 H new ATOM 0 HB3 LEU A 46 1.186 -11.182 -1.502 1.00 71.31 H new ATOM 0 HG LEU A 46 3.103 -12.675 -2.141 1.00 22.45 H new ATOM 0 HD11 LEU A 46 2.773 -14.245 -4.000 1.00 61.01 H new ATOM 0 HD12 LEU A 46 1.866 -14.732 -2.548 1.00 61.01 H new ATOM 0 HD13 LEU A 46 1.017 -13.970 -3.914 1.00 61.01 H new ATOM 0 HD21 LEU A 46 3.190 -11.871 -4.472 1.00 51.40 H new ATOM 0 HD22 LEU A 46 1.454 -11.488 -4.397 1.00 51.40 H new ATOM 0 HD23 LEU A 46 2.604 -10.612 -3.359 1.00 51.40 H new ATOM 757 N LYS A 47 1.881 -13.121 1.694 1.00 1.12 N ATOM 758 CA LYS A 47 2.887 -12.811 2.708 1.00 45.01 C ATOM 759 C LYS A 47 3.320 -11.348 2.658 1.00 11.42 C ATOM 760 O LYS A 47 2.871 -10.574 1.812 1.00 63.44 O ATOM 761 CB LYS A 47 4.097 -13.736 2.586 1.00 21.12 C ATOM 762 CG LYS A 47 3.963 -14.985 3.432 1.00 43.02 C ATOM 763 CD LYS A 47 3.937 -14.628 4.909 1.00 51.42 C ATOM 764 CE LYS A 47 3.631 -15.836 5.768 1.00 61.11 C ATOM 765 NZ LYS A 47 3.929 -15.576 7.203 1.00 34.44 N ATOM 0 H LYS A 47 1.009 -13.489 2.074 1.00 1.12 H new ATOM 0 HA LYS A 47 2.421 -12.981 3.679 1.00 45.01 H new ATOM 0 HB2 LYS A 47 4.228 -14.021 1.542 1.00 21.12 H new ATOM 0 HB3 LYS A 47 4.995 -13.195 2.884 1.00 21.12 H new ATOM 0 HG2 LYS A 47 3.050 -15.516 3.164 1.00 43.02 H new ATOM 0 HG3 LYS A 47 4.795 -15.659 3.230 1.00 43.02 H new ATOM 0 HD2 LYS A 47 4.900 -14.209 5.200 1.00 51.42 H new ATOM 0 HD3 LYS A 47 3.187 -13.857 5.084 1.00 51.42 H new ATOM 0 HE2 LYS A 47 2.581 -16.106 5.657 1.00 61.11 H new ATOM 0 HE3 LYS A 47 4.217 -16.687 5.422 1.00 61.11 H new ATOM 0 HZ1 LYS A 47 3.708 -16.424 7.763 1.00 34.44 H new ATOM 0 HZ2 LYS A 47 4.937 -15.342 7.312 1.00 34.44 H new ATOM 0 HZ3 LYS A 47 3.351 -14.779 7.539 1.00 34.44 H new ATOM 779 N VAL A 48 4.128 -10.954 3.624 1.00 70.24 N ATOM 780 CA VAL A 48 4.645 -9.599 3.673 1.00 42.11 C ATOM 781 C VAL A 48 5.901 -9.483 2.828 1.00 21.43 C ATOM 782 O VAL A 48 6.047 -8.576 2.019 1.00 44.34 O ATOM 783 CB VAL A 48 4.985 -9.176 5.111 1.00 52.31 C ATOM 784 CG1 VAL A 48 4.918 -7.665 5.255 1.00 64.40 C ATOM 785 CG2 VAL A 48 4.073 -9.864 6.110 1.00 52.53 C ATOM 0 H VAL A 48 4.441 -11.554 4.387 1.00 70.24 H new ATOM 0 HA VAL A 48 3.866 -8.944 3.284 1.00 42.11 H new ATOM 0 HB VAL A 48 6.006 -9.490 5.326 1.00 52.31 H new ATOM 0 HG11 VAL A 48 5.162 -7.386 6.280 1.00 64.40 H new ATOM 0 HG12 VAL A 48 5.632 -7.203 4.573 1.00 64.40 H new ATOM 0 HG13 VAL A 48 3.912 -7.321 5.015 1.00 64.40 H new ATOM 0 HG21 VAL A 48 4.335 -9.547 7.120 1.00 52.53 H new ATOM 0 HG22 VAL A 48 3.037 -9.595 5.902 1.00 52.53 H new ATOM 0 HG23 VAL A 48 4.191 -10.944 6.026 1.00 52.53 H new ATOM 795 N GLU A 49 6.796 -10.439 3.022 1.00 74.15 N ATOM 796 CA GLU A 49 8.147 -10.390 2.476 1.00 70.21 C ATOM 797 C GLU A 49 8.171 -10.574 0.962 1.00 70.45 C ATOM 798 O GLU A 49 9.228 -10.458 0.332 1.00 1.41 O ATOM 799 CB GLU A 49 9.012 -11.468 3.139 1.00 63.45 C ATOM 800 CG GLU A 49 8.895 -11.504 4.656 1.00 60.12 C ATOM 801 CD GLU A 49 7.832 -12.474 5.151 1.00 71.32 C ATOM 802 OE1 GLU A 49 6.640 -12.289 4.826 1.00 33.40 O ATOM 803 OE2 GLU A 49 8.194 -13.436 5.865 1.00 53.25 O ATOM 0 H GLU A 49 6.605 -11.279 3.568 1.00 74.15 H new ATOM 0 HA GLU A 49 8.548 -9.399 2.690 1.00 70.21 H new ATOM 0 HB2 GLU A 49 8.731 -12.442 2.739 1.00 63.45 H new ATOM 0 HB3 GLU A 49 10.055 -11.301 2.868 1.00 63.45 H new ATOM 0 HG2 GLU A 49 9.859 -11.783 5.082 1.00 60.12 H new ATOM 0 HG3 GLU A 49 8.663 -10.503 5.020 1.00 60.12 H new ATOM 810 N ASP A 50 7.019 -10.867 0.379 1.00 30.21 N ATOM 811 CA ASP A 50 6.931 -11.068 -1.062 1.00 70.11 C ATOM 812 C ASP A 50 6.614 -9.750 -1.767 1.00 42.10 C ATOM 813 O ASP A 50 6.647 -9.667 -2.999 1.00 21.22 O ATOM 814 CB ASP A 50 5.871 -12.119 -1.406 1.00 70.01 C ATOM 815 CG ASP A 50 6.137 -12.805 -2.737 1.00 52.34 C ATOM 816 OD1 ASP A 50 5.846 -12.215 -3.799 1.00 21.10 O ATOM 817 OD2 ASP A 50 6.650 -13.943 -2.726 1.00 33.40 O ATOM 0 H ASP A 50 6.135 -10.971 0.877 1.00 30.21 H new ATOM 0 HA ASP A 50 7.898 -11.430 -1.411 1.00 70.11 H new ATOM 0 HB2 ASP A 50 5.838 -12.869 -0.615 1.00 70.01 H new ATOM 0 HB3 ASP A 50 4.890 -11.644 -1.436 1.00 70.01 H new ATOM 822 N VAL A 51 6.318 -8.708 -0.993 1.00 24.25 N ATOM 823 CA VAL A 51 6.064 -7.407 -1.588 1.00 52.41 C ATOM 824 C VAL A 51 7.385 -6.797 -2.065 1.00 51.23 C ATOM 825 O VAL A 51 8.165 -6.219 -1.305 1.00 55.42 O ATOM 826 CB VAL A 51 5.276 -6.447 -0.649 1.00 70.54 C ATOM 827 CG1 VAL A 51 6.074 -6.034 0.580 1.00 3.34 C ATOM 828 CG2 VAL A 51 4.795 -5.228 -1.419 1.00 63.35 C ATOM 0 H VAL A 51 6.250 -8.740 0.024 1.00 24.25 H new ATOM 0 HA VAL A 51 5.412 -7.554 -2.449 1.00 52.41 H new ATOM 0 HB VAL A 51 4.411 -7.000 -0.283 1.00 70.54 H new ATOM 0 HG11 VAL A 51 5.473 -5.365 1.196 1.00 3.34 H new ATOM 0 HG12 VAL A 51 6.338 -6.920 1.157 1.00 3.34 H new ATOM 0 HG13 VAL A 51 6.983 -5.520 0.268 1.00 3.34 H new ATOM 0 HG21 VAL A 51 4.246 -4.567 -0.748 1.00 63.35 H new ATOM 0 HG22 VAL A 51 5.653 -4.696 -1.831 1.00 63.35 H new ATOM 0 HG23 VAL A 51 4.141 -5.545 -2.231 1.00 63.35 H new ATOM 838 N LYS A 52 7.651 -6.994 -3.340 1.00 24.31 N ATOM 839 CA LYS A 52 8.914 -6.609 -3.938 1.00 1.34 C ATOM 840 C LYS A 52 8.710 -5.414 -4.858 1.00 53.12 C ATOM 841 O LYS A 52 7.587 -5.155 -5.292 1.00 60.05 O ATOM 842 CB LYS A 52 9.490 -7.814 -4.689 1.00 41.43 C ATOM 843 CG LYS A 52 9.681 -9.020 -3.781 1.00 21.54 C ATOM 844 CD LYS A 52 9.884 -10.309 -4.554 1.00 55.32 C ATOM 845 CE LYS A 52 9.922 -11.497 -3.604 1.00 21.32 C ATOM 846 NZ LYS A 52 10.096 -12.790 -4.313 1.00 12.11 N ATOM 0 H LYS A 52 6.997 -7.426 -3.992 1.00 24.31 H new ATOM 0 HA LYS A 52 9.624 -6.308 -3.168 1.00 1.34 H new ATOM 0 HB2 LYS A 52 8.824 -8.081 -5.509 1.00 41.43 H new ATOM 0 HB3 LYS A 52 10.447 -7.540 -5.132 1.00 41.43 H new ATOM 0 HG2 LYS A 52 10.542 -8.850 -3.134 1.00 21.54 H new ATOM 0 HG3 LYS A 52 8.811 -9.123 -3.133 1.00 21.54 H new ATOM 0 HD2 LYS A 52 9.078 -10.438 -5.276 1.00 55.32 H new ATOM 0 HD3 LYS A 52 10.814 -10.258 -5.120 1.00 55.32 H new ATOM 0 HE2 LYS A 52 10.738 -11.364 -2.894 1.00 21.32 H new ATOM 0 HE3 LYS A 52 8.998 -11.525 -3.026 1.00 21.32 H new ATOM 0 HZ1 LYS A 52 10.115 -13.566 -3.621 1.00 12.11 H new ATOM 0 HZ2 LYS A 52 9.304 -12.934 -4.972 1.00 12.11 H new ATOM 0 HZ3 LYS A 52 10.990 -12.777 -4.844 1.00 12.11 H new ATOM 860 N PRO A 53 9.787 -4.663 -5.146 1.00 72.52 N ATOM 861 CA PRO A 53 9.721 -3.437 -5.957 1.00 60.25 C ATOM 862 C PRO A 53 8.924 -3.599 -7.250 1.00 22.24 C ATOM 863 O PRO A 53 8.096 -2.754 -7.584 1.00 31.54 O ATOM 864 CB PRO A 53 11.190 -3.157 -6.268 1.00 22.12 C ATOM 865 CG PRO A 53 11.928 -3.714 -5.102 1.00 60.33 C ATOM 866 CD PRO A 53 11.166 -4.939 -4.686 1.00 74.43 C ATOM 0 HA PRO A 53 9.207 -2.635 -5.428 1.00 60.25 H new ATOM 0 HB2 PRO A 53 11.497 -3.635 -7.198 1.00 22.12 H new ATOM 0 HB3 PRO A 53 11.375 -2.089 -6.382 1.00 22.12 H new ATOM 0 HG2 PRO A 53 12.954 -3.964 -5.371 1.00 60.33 H new ATOM 0 HG3 PRO A 53 11.979 -2.990 -4.289 1.00 60.33 H new ATOM 0 HD2 PRO A 53 11.570 -5.839 -5.149 1.00 74.43 H new ATOM 0 HD3 PRO A 53 11.206 -5.089 -3.607 1.00 74.43 H new ATOM 874 N ARG A 54 9.160 -4.695 -7.959 1.00 4.22 N ATOM 875 CA ARG A 54 8.526 -4.913 -9.252 1.00 73.25 C ATOM 876 C ARG A 54 7.033 -5.209 -9.081 1.00 62.45 C ATOM 877 O ARG A 54 6.215 -4.864 -9.933 1.00 23.21 O ATOM 878 CB ARG A 54 9.240 -6.048 -9.995 1.00 55.04 C ATOM 879 CG ARG A 54 9.227 -5.891 -11.506 1.00 45.25 C ATOM 880 CD ARG A 54 7.905 -6.321 -12.117 1.00 70.13 C ATOM 881 NE ARG A 54 7.773 -5.875 -13.504 1.00 52.51 N ATOM 882 CZ ARG A 54 8.460 -6.377 -14.530 1.00 74.14 C ATOM 883 NH1 ARG A 54 9.385 -7.310 -14.336 1.00 54.15 N ATOM 884 NH2 ARG A 54 8.232 -5.924 -15.755 1.00 41.41 N ATOM 0 H ARG A 54 9.784 -5.445 -7.661 1.00 4.22 H new ATOM 0 HA ARG A 54 8.611 -4.005 -9.848 1.00 73.25 H new ATOM 0 HB2 ARG A 54 10.274 -6.101 -9.653 1.00 55.04 H new ATOM 0 HB3 ARG A 54 8.769 -6.995 -9.733 1.00 55.04 H new ATOM 0 HG2 ARG A 54 9.422 -4.850 -11.763 1.00 45.25 H new ATOM 0 HG3 ARG A 54 10.034 -6.483 -11.938 1.00 45.25 H new ATOM 0 HD2 ARG A 54 7.822 -7.407 -12.076 1.00 70.13 H new ATOM 0 HD3 ARG A 54 7.083 -5.916 -11.526 1.00 70.13 H new ATOM 0 HE ARG A 54 7.108 -5.127 -13.700 1.00 52.51 H new ATOM 0 HH11 ARG A 54 9.576 -7.650 -13.394 1.00 54.15 H new ATOM 0 HH12 ARG A 54 9.904 -7.686 -15.129 1.00 54.15 H new ATOM 0 HH21 ARG A 54 7.534 -5.196 -15.908 1.00 41.41 H new ATOM 0 HH22 ARG A 54 8.754 -6.304 -16.545 1.00 41.41 H new ATOM 898 N HIS A 55 6.675 -5.836 -7.968 1.00 53.32 N ATOM 899 CA HIS A 55 5.270 -6.055 -7.644 1.00 42.23 C ATOM 900 C HIS A 55 4.563 -4.718 -7.429 1.00 11.51 C ATOM 901 O HIS A 55 3.397 -4.556 -7.783 1.00 45.11 O ATOM 902 CB HIS A 55 5.110 -6.953 -6.406 1.00 0.33 C ATOM 903 CG HIS A 55 5.345 -8.410 -6.684 1.00 12.42 C ATOM 904 ND1 HIS A 55 5.927 -9.279 -5.780 1.00 43.51 N ATOM 905 CD2 HIS A 55 5.063 -9.155 -7.779 1.00 74.23 C ATOM 906 CE1 HIS A 55 5.998 -10.483 -6.314 1.00 55.42 C ATOM 907 NE2 HIS A 55 5.483 -10.437 -7.527 1.00 71.21 N ATOM 0 H HIS A 55 7.332 -6.200 -7.278 1.00 53.32 H new ATOM 0 HA HIS A 55 4.808 -6.569 -8.487 1.00 42.23 H new ATOM 0 HB2 HIS A 55 5.806 -6.622 -5.635 1.00 0.33 H new ATOM 0 HB3 HIS A 55 4.105 -6.826 -6.003 1.00 0.33 H new ATOM 0 HD1 HIS A 55 6.251 -9.028 -4.846 1.00 43.51 H new ATOM 0 HD2 HIS A 55 4.593 -8.804 -8.686 1.00 74.23 H new ATOM 0 HE1 HIS A 55 6.409 -11.360 -5.837 1.00 55.42 H new ATOM 916 N ILE A 56 5.286 -3.768 -6.851 1.00 23.05 N ATOM 917 CA ILE A 56 4.743 -2.443 -6.570 1.00 50.10 C ATOM 918 C ILE A 56 4.656 -1.583 -7.832 1.00 11.14 C ATOM 919 O ILE A 56 3.650 -0.910 -8.061 1.00 14.32 O ATOM 920 CB ILE A 56 5.587 -1.713 -5.496 1.00 45.32 C ATOM 921 CG1 ILE A 56 5.367 -2.350 -4.124 1.00 53.30 C ATOM 922 CG2 ILE A 56 5.257 -0.228 -5.448 1.00 74.54 C ATOM 923 CD1 ILE A 56 3.937 -2.268 -3.634 1.00 41.20 C ATOM 0 H ILE A 56 6.257 -3.891 -6.565 1.00 23.05 H new ATOM 0 HA ILE A 56 3.732 -2.591 -6.189 1.00 50.10 H new ATOM 0 HB ILE A 56 6.637 -1.815 -5.769 1.00 45.32 H new ATOM 0 HG12 ILE A 56 5.667 -3.397 -4.168 1.00 53.30 H new ATOM 0 HG13 ILE A 56 6.018 -1.862 -3.399 1.00 53.30 H new ATOM 0 HG21 ILE A 56 5.866 0.256 -4.684 1.00 74.54 H new ATOM 0 HG22 ILE A 56 5.466 0.223 -6.418 1.00 74.54 H new ATOM 0 HG23 ILE A 56 4.202 -0.097 -5.207 1.00 74.54 H new ATOM 0 HD11 ILE A 56 3.860 -2.741 -2.655 1.00 41.20 H new ATOM 0 HD12 ILE A 56 3.638 -1.223 -3.556 1.00 41.20 H new ATOM 0 HD13 ILE A 56 3.281 -2.781 -4.337 1.00 41.20 H new ATOM 935 N ASP A 57 5.694 -1.614 -8.662 1.00 34.45 N ATOM 936 CA ASP A 57 5.736 -0.756 -9.844 1.00 42.04 C ATOM 937 C ASP A 57 4.594 -1.105 -10.794 1.00 24.11 C ATOM 938 O ASP A 57 4.016 -0.231 -11.445 1.00 54.41 O ATOM 939 CB ASP A 57 7.095 -0.856 -10.563 1.00 2.01 C ATOM 940 CG ASP A 57 7.187 -1.967 -11.596 1.00 10.05 C ATOM 941 OD1 ASP A 57 6.645 -1.802 -12.712 1.00 50.30 O ATOM 942 OD2 ASP A 57 7.840 -2.985 -11.318 1.00 12.14 O ATOM 0 H ASP A 57 6.509 -2.216 -8.542 1.00 34.45 H new ATOM 0 HA ASP A 57 5.613 0.276 -9.516 1.00 42.04 H new ATOM 0 HB2 ASP A 57 7.302 0.095 -11.053 1.00 2.01 H new ATOM 0 HB3 ASP A 57 7.875 -1.007 -9.817 1.00 2.01 H new ATOM 947 N ASP A 58 4.263 -2.384 -10.847 1.00 34.32 N ATOM 948 CA ASP A 58 3.187 -2.859 -11.703 1.00 10.41 C ATOM 949 C ASP A 58 1.819 -2.439 -11.165 1.00 5.42 C ATOM 950 O ASP A 58 0.966 -1.968 -11.921 1.00 42.42 O ATOM 951 CB ASP A 58 3.244 -4.380 -11.850 1.00 61.22 C ATOM 952 CG ASP A 58 2.258 -4.891 -12.880 1.00 71.34 C ATOM 953 OD1 ASP A 58 1.103 -5.179 -12.517 1.00 52.41 O ATOM 954 OD2 ASP A 58 2.633 -4.997 -14.068 1.00 54.32 O ATOM 0 H ASP A 58 4.725 -3.115 -10.306 1.00 34.32 H new ATOM 0 HA ASP A 58 3.324 -2.402 -12.683 1.00 10.41 H new ATOM 0 HB2 ASP A 58 4.253 -4.678 -12.135 1.00 61.22 H new ATOM 0 HB3 ASP A 58 3.035 -4.845 -10.887 1.00 61.22 H new ATOM 959 N VAL A 59 1.610 -2.589 -9.859 1.00 61.32 N ATOM 960 CA VAL A 59 0.311 -2.273 -9.268 1.00 50.12 C ATOM 961 C VAL A 59 0.059 -0.765 -9.246 1.00 54.53 C ATOM 962 O VAL A 59 -1.074 -0.320 -9.434 1.00 50.23 O ATOM 963 CB VAL A 59 0.138 -2.858 -7.844 1.00 23.01 C ATOM 964 CG1 VAL A 59 0.190 -4.378 -7.879 1.00 44.23 C ATOM 965 CG2 VAL A 59 1.179 -2.309 -6.882 1.00 70.20 C ATOM 0 H VAL A 59 2.312 -2.922 -9.198 1.00 61.32 H new ATOM 0 HA VAL A 59 -0.431 -2.749 -9.909 1.00 50.12 H new ATOM 0 HB VAL A 59 -0.842 -2.551 -7.479 1.00 23.01 H new ATOM 0 HG11 VAL A 59 0.067 -4.770 -6.869 1.00 44.23 H new ATOM 0 HG12 VAL A 59 -0.611 -4.755 -8.515 1.00 44.23 H new ATOM 0 HG13 VAL A 59 1.152 -4.700 -8.278 1.00 44.23 H new ATOM 0 HG21 VAL A 59 1.025 -2.742 -5.894 1.00 70.20 H new ATOM 0 HG22 VAL A 59 2.176 -2.566 -7.240 1.00 70.20 H new ATOM 0 HG23 VAL A 59 1.083 -1.225 -6.822 1.00 70.20 H new ATOM 975 N LEU A 60 1.113 0.023 -9.043 1.00 4.52 N ATOM 976 CA LEU A 60 0.990 1.479 -9.083 1.00 52.25 C ATOM 977 C LEU A 60 0.664 1.945 -10.495 1.00 41.23 C ATOM 978 O LEU A 60 -0.091 2.897 -10.684 1.00 61.35 O ATOM 979 CB LEU A 60 2.269 2.157 -8.585 1.00 72.24 C ATOM 980 CG LEU A 60 2.562 1.985 -7.093 1.00 12.42 C ATOM 981 CD1 LEU A 60 3.822 2.744 -6.714 1.00 1.42 C ATOM 982 CD2 LEU A 60 1.379 2.455 -6.257 1.00 70.32 C ATOM 0 H LEU A 60 2.055 -0.318 -8.851 1.00 4.52 H new ATOM 0 HA LEU A 60 0.175 1.765 -8.418 1.00 52.25 H new ATOM 0 HB2 LEU A 60 3.113 1.764 -9.152 1.00 72.24 H new ATOM 0 HB3 LEU A 60 2.205 3.223 -8.805 1.00 72.24 H new ATOM 0 HG LEU A 60 2.722 0.926 -6.890 1.00 12.42 H new ATOM 0 HD11 LEU A 60 4.019 2.613 -5.650 1.00 1.42 H new ATOM 0 HD12 LEU A 60 4.665 2.360 -7.289 1.00 1.42 H new ATOM 0 HD13 LEU A 60 3.687 3.804 -6.931 1.00 1.42 H new ATOM 0 HD21 LEU A 60 1.607 2.325 -5.199 1.00 70.32 H new ATOM 0 HD22 LEU A 60 1.186 3.508 -6.460 1.00 70.32 H new ATOM 0 HD23 LEU A 60 0.497 1.869 -6.513 1.00 70.32 H new ATOM 994 N LYS A 61 1.224 1.256 -11.481 1.00 0.54 N ATOM 995 CA LYS A 61 0.937 1.535 -12.881 1.00 35.04 C ATOM 996 C LYS A 61 -0.545 1.299 -13.175 1.00 0.13 C ATOM 997 O LYS A 61 -1.144 1.969 -14.017 1.00 20.13 O ATOM 998 CB LYS A 61 1.845 0.668 -13.768 1.00 33.32 C ATOM 999 CG LYS A 61 1.387 0.518 -15.210 1.00 73.42 C ATOM 1000 CD LYS A 61 0.668 -0.808 -15.424 1.00 20.43 C ATOM 1001 CE LYS A 61 1.571 -1.989 -15.092 1.00 11.02 C ATOM 1002 NZ LYS A 61 0.900 -3.296 -15.321 1.00 2.32 N ATOM 0 H LYS A 61 1.885 0.493 -11.334 1.00 0.54 H new ATOM 0 HA LYS A 61 1.146 2.582 -13.102 1.00 35.04 H new ATOM 0 HB2 LYS A 61 2.847 1.097 -13.764 1.00 33.32 H new ATOM 0 HB3 LYS A 61 1.922 -0.324 -13.323 1.00 33.32 H new ATOM 0 HG2 LYS A 61 0.722 1.341 -15.471 1.00 73.42 H new ATOM 0 HG3 LYS A 61 2.248 0.580 -15.876 1.00 73.42 H new ATOM 0 HD2 LYS A 61 -0.225 -0.844 -14.800 1.00 20.43 H new ATOM 0 HD3 LYS A 61 0.337 -0.881 -16.460 1.00 20.43 H new ATOM 0 HE2 LYS A 61 2.474 -1.935 -15.701 1.00 11.02 H new ATOM 0 HE3 LYS A 61 1.884 -1.922 -14.050 1.00 11.02 H new ATOM 0 HZ1 LYS A 61 1.588 -4.066 -15.196 1.00 2.32 H new ATOM 0 HZ2 LYS A 61 0.123 -3.412 -14.639 1.00 2.32 H new ATOM 0 HZ3 LYS A 61 0.519 -3.326 -16.288 1.00 2.32 H new ATOM 1016 N ALA A 62 -1.131 0.347 -12.468 1.00 33.23 N ATOM 1017 CA ALA A 62 -2.550 0.068 -12.608 1.00 64.12 C ATOM 1018 C ALA A 62 -3.388 1.154 -11.936 1.00 24.23 C ATOM 1019 O ALA A 62 -4.261 1.753 -12.565 1.00 41.43 O ATOM 1020 CB ALA A 62 -2.882 -1.299 -12.028 1.00 25.41 C ATOM 0 H ALA A 62 -0.647 -0.245 -11.793 1.00 33.23 H new ATOM 0 HA ALA A 62 -2.793 0.063 -13.671 1.00 64.12 H new ATOM 0 HB1 ALA A 62 -3.949 -1.493 -12.141 1.00 25.41 H new ATOM 0 HB2 ALA A 62 -2.316 -2.066 -12.557 1.00 25.41 H new ATOM 0 HB3 ALA A 62 -2.619 -1.319 -10.970 1.00 25.41 H new ATOM 1026 N VAL A 63 -3.100 1.429 -10.668 1.00 51.23 N ATOM 1027 CA VAL A 63 -3.903 2.368 -9.888 1.00 51.12 C ATOM 1028 C VAL A 63 -3.793 3.806 -10.407 1.00 72.53 C ATOM 1029 O VAL A 63 -4.726 4.598 -10.244 1.00 15.02 O ATOM 1030 CB VAL A 63 -3.544 2.331 -8.383 1.00 2.24 C ATOM 1031 CG1 VAL A 63 -3.846 0.963 -7.789 1.00 13.32 C ATOM 1032 CG2 VAL A 63 -2.089 2.705 -8.154 1.00 23.42 C ATOM 0 H VAL A 63 -2.319 1.017 -10.158 1.00 51.23 H new ATOM 0 HA VAL A 63 -4.935 2.039 -10.009 1.00 51.12 H new ATOM 0 HB VAL A 63 -4.164 3.071 -7.876 1.00 2.24 H new ATOM 0 HG11 VAL A 63 -3.586 0.960 -6.731 1.00 13.32 H new ATOM 0 HG12 VAL A 63 -4.908 0.743 -7.902 1.00 13.32 H new ATOM 0 HG13 VAL A 63 -3.261 0.204 -8.308 1.00 13.32 H new ATOM 0 HG21 VAL A 63 -1.868 2.670 -7.087 1.00 23.42 H new ATOM 0 HG22 VAL A 63 -1.445 2.001 -8.682 1.00 23.42 H new ATOM 0 HG23 VAL A 63 -1.909 3.713 -8.529 1.00 23.42 H new ATOM 1042 N MET A 64 -2.670 4.145 -11.039 1.00 21.42 N ATOM 1043 CA MET A 64 -2.477 5.496 -11.567 1.00 73.10 C ATOM 1044 C MET A 64 -3.373 5.731 -12.781 1.00 0.11 C ATOM 1045 O MET A 64 -3.752 6.865 -13.073 1.00 41.40 O ATOM 1046 CB MET A 64 -1.005 5.753 -11.930 1.00 64.00 C ATOM 1047 CG MET A 64 -0.492 4.943 -13.109 1.00 15.45 C ATOM 1048 SD MET A 64 1.196 5.384 -13.574 1.00 2.34 S ATOM 1049 CE MET A 64 2.071 5.058 -12.046 1.00 55.51 C ATOM 0 H MET A 64 -1.887 3.511 -11.197 1.00 21.42 H new ATOM 0 HA MET A 64 -2.756 6.200 -10.783 1.00 73.10 H new ATOM 0 HB2 MET A 64 -0.879 6.813 -12.152 1.00 64.00 H new ATOM 0 HB3 MET A 64 -0.387 5.534 -11.060 1.00 64.00 H new ATOM 0 HG2 MET A 64 -0.531 3.882 -12.861 1.00 15.45 H new ATOM 0 HG3 MET A 64 -1.152 5.095 -13.963 1.00 15.45 H new ATOM 0 HE1 MET A 64 3.144 5.147 -12.215 1.00 55.51 H new ATOM 0 HE2 MET A 64 1.762 5.779 -11.289 1.00 55.51 H new ATOM 0 HE3 MET A 64 1.840 4.050 -11.702 1.00 55.51 H new ATOM 1059 N LYS A 65 -3.725 4.655 -13.474 1.00 44.12 N ATOM 1060 CA LYS A 65 -4.612 4.740 -14.614 1.00 42.30 C ATOM 1061 C LYS A 65 -6.054 4.616 -14.143 1.00 13.41 C ATOM 1062 O LYS A 65 -6.946 5.306 -14.634 1.00 43.14 O ATOM 1063 CB LYS A 65 -4.254 3.644 -15.624 1.00 32.33 C ATOM 1064 CG LYS A 65 -5.126 3.628 -16.868 1.00 71.22 C ATOM 1065 CD LYS A 65 -6.414 2.869 -16.620 1.00 11.35 C ATOM 1066 CE LYS A 65 -6.200 1.367 -16.662 1.00 35.22 C ATOM 1067 NZ LYS A 65 -6.038 0.867 -18.054 1.00 42.10 N ATOM 0 H LYS A 65 -3.404 3.711 -13.260 1.00 44.12 H new ATOM 0 HA LYS A 65 -4.498 5.705 -15.109 1.00 42.30 H new ATOM 0 HB2 LYS A 65 -3.214 3.770 -15.926 1.00 32.33 H new ATOM 0 HB3 LYS A 65 -4.327 2.675 -15.131 1.00 32.33 H new ATOM 0 HG2 LYS A 65 -5.355 4.650 -17.169 1.00 71.22 H new ATOM 0 HG3 LYS A 65 -4.581 3.167 -17.692 1.00 71.22 H new ATOM 0 HD2 LYS A 65 -6.821 3.151 -15.649 1.00 11.35 H new ATOM 0 HD3 LYS A 65 -7.153 3.152 -17.370 1.00 11.35 H new ATOM 0 HE2 LYS A 65 -5.316 1.110 -16.079 1.00 35.22 H new ATOM 0 HE3 LYS A 65 -7.047 0.867 -16.193 1.00 35.22 H new ATOM 0 HZ1 LYS A 65 -6.047 -0.173 -18.053 1.00 42.10 H new ATOM 0 HZ2 LYS A 65 -6.820 1.219 -18.643 1.00 42.10 H new ATOM 0 HZ3 LYS A 65 -5.134 1.205 -18.441 1.00 42.10 H new ATOM 1081 N ARG A 66 -6.259 3.741 -13.167 1.00 20.21 N ATOM 1082 CA ARG A 66 -7.583 3.513 -12.591 1.00 24.43 C ATOM 1083 C ARG A 66 -8.167 4.796 -12.009 1.00 22.21 C ATOM 1084 O ARG A 66 -9.365 5.056 -12.131 1.00 31.02 O ATOM 1085 CB ARG A 66 -7.499 2.460 -11.486 1.00 15.24 C ATOM 1086 CG ARG A 66 -7.313 1.040 -11.987 1.00 21.51 C ATOM 1087 CD ARG A 66 -8.543 0.554 -12.732 1.00 23.24 C ATOM 1088 NE ARG A 66 -8.509 -0.888 -12.949 1.00 50.15 N ATOM 1089 CZ ARG A 66 -9.470 -1.721 -12.545 1.00 2.44 C ATOM 1090 NH1 ARG A 66 -10.518 -1.257 -11.869 1.00 73.41 N ATOM 1091 NH2 ARG A 66 -9.364 -3.020 -12.794 1.00 65.53 N ATOM 0 H ARG A 66 -5.520 3.172 -12.753 1.00 20.21 H new ATOM 0 HA ARG A 66 -8.235 3.165 -13.392 1.00 24.43 H new ATOM 0 HB2 ARG A 66 -6.670 2.711 -10.824 1.00 15.24 H new ATOM 0 HB3 ARG A 66 -8.409 2.505 -10.888 1.00 15.24 H new ATOM 0 HG2 ARG A 66 -6.445 0.995 -12.645 1.00 21.51 H new ATOM 0 HG3 ARG A 66 -7.110 0.378 -11.145 1.00 21.51 H new ATOM 0 HD2 ARG A 66 -9.438 0.816 -12.167 1.00 23.24 H new ATOM 0 HD3 ARG A 66 -8.612 1.065 -13.692 1.00 23.24 H new ATOM 0 HE ARG A 66 -7.705 -1.282 -13.437 1.00 50.15 H new ATOM 0 HH11 ARG A 66 -10.589 -0.262 -11.658 1.00 73.41 H new ATOM 0 HH12 ARG A 66 -11.251 -1.897 -11.562 1.00 73.41 H new ATOM 0 HH21 ARG A 66 -8.550 -3.379 -13.293 1.00 65.53 H new ATOM 0 HH22 ARG A 66 -10.097 -3.660 -12.487 1.00 65.53 H new ATOM 1105 N GLY A 67 -7.318 5.598 -11.393 1.00 21.23 N ATOM 1106 CA GLY A 67 -7.771 6.848 -10.827 1.00 64.04 C ATOM 1107 C GLY A 67 -7.053 8.033 -11.429 1.00 20.54 C ATOM 1108 O GLY A 67 -7.553 8.664 -12.360 1.00 24.41 O ATOM 0 H GLY A 67 -6.323 5.407 -11.274 1.00 21.23 H new ATOM 0 HA2 GLY A 67 -8.844 6.953 -10.990 1.00 64.04 H new ATOM 0 HA3 GLY A 67 -7.612 6.837 -9.749 1.00 64.04 H new ATOM 1112 N ALA A 68 -5.874 8.316 -10.903 1.00 2.33 N ATOM 1113 CA ALA A 68 -5.062 9.434 -11.354 1.00 62.33 C ATOM 1114 C ALA A 68 -3.652 9.277 -10.826 1.00 63.33 C ATOM 1115 O ALA A 68 -3.439 8.617 -9.806 1.00 75.12 O ATOM 1116 CB ALA A 68 -5.668 10.757 -10.893 1.00 32.14 C ATOM 0 H ALA A 68 -5.451 7.775 -10.149 1.00 2.33 H new ATOM 0 HA ALA A 68 -5.035 9.441 -12.444 1.00 62.33 H new ATOM 0 HB1 ALA A 68 -5.046 11.582 -11.240 1.00 32.14 H new ATOM 0 HB2 ALA A 68 -6.672 10.861 -11.305 1.00 32.14 H new ATOM 0 HB3 ALA A 68 -5.719 10.774 -9.804 1.00 32.14 H new ATOM 1122 N PRO A 69 -2.671 9.866 -11.513 1.00 25.10 N ATOM 1123 CA PRO A 69 -1.270 9.759 -11.121 1.00 2.04 C ATOM 1124 C PRO A 69 -1.029 10.363 -9.745 1.00 21.20 C ATOM 1125 O PRO A 69 -0.247 9.840 -8.951 1.00 1.03 O ATOM 1126 CB PRO A 69 -0.517 10.541 -12.199 1.00 5.20 C ATOM 1127 CG PRO A 69 -1.479 10.729 -13.323 1.00 74.14 C ATOM 1128 CD PRO A 69 -2.853 10.678 -12.728 1.00 2.00 C ATOM 0 HA PRO A 69 -0.943 8.722 -11.048 1.00 2.04 H new ATOM 0 HB2 PRO A 69 -0.174 11.502 -11.815 1.00 5.20 H new ATOM 0 HB3 PRO A 69 0.367 9.996 -12.530 1.00 5.20 H new ATOM 0 HG2 PRO A 69 -1.309 11.683 -13.822 1.00 74.14 H new ATOM 0 HG3 PRO A 69 -1.354 9.949 -14.074 1.00 74.14 H new ATOM 0 HD2 PRO A 69 -3.226 11.675 -12.493 1.00 2.00 H new ATOM 0 HD3 PRO A 69 -3.570 10.223 -13.411 1.00 2.00 H new ATOM 1136 N SER A 70 -1.734 11.450 -9.463 1.00 20.20 N ATOM 1137 CA SER A 70 -1.653 12.116 -8.171 1.00 1.20 C ATOM 1138 C SER A 70 -2.091 11.176 -7.046 1.00 21.23 C ATOM 1139 O SER A 70 -1.575 11.244 -5.930 1.00 0.15 O ATOM 1140 CB SER A 70 -2.536 13.361 -8.192 1.00 73.41 C ATOM 1141 OG SER A 70 -2.416 14.031 -9.434 1.00 10.03 O ATOM 0 H SER A 70 -2.376 11.893 -10.121 1.00 20.20 H new ATOM 0 HA SER A 70 -0.618 12.404 -7.984 1.00 1.20 H new ATOM 0 HB2 SER A 70 -3.575 13.080 -8.022 1.00 73.41 H new ATOM 0 HB3 SER A 70 -2.250 14.031 -7.381 1.00 73.41 H new ATOM 0 HG SER A 70 -2.989 14.826 -9.433 1.00 10.03 H new ATOM 1147 N ILE A 71 -3.027 10.286 -7.358 1.00 14.31 N ATOM 1148 CA ILE A 71 -3.534 9.333 -6.381 1.00 4.54 C ATOM 1149 C ILE A 71 -2.469 8.288 -6.061 1.00 2.25 C ATOM 1150 O ILE A 71 -2.327 7.858 -4.917 1.00 41.20 O ATOM 1151 CB ILE A 71 -4.817 8.635 -6.891 1.00 22.32 C ATOM 1152 CG1 ILE A 71 -5.912 9.671 -7.174 1.00 31.22 C ATOM 1153 CG2 ILE A 71 -5.305 7.601 -5.884 1.00 41.33 C ATOM 1154 CD1 ILE A 71 -7.200 9.072 -7.702 1.00 15.42 C ATOM 0 H ILE A 71 -3.450 10.206 -8.283 1.00 14.31 H new ATOM 0 HA ILE A 71 -3.783 9.885 -5.474 1.00 4.54 H new ATOM 0 HB ILE A 71 -4.581 8.118 -7.821 1.00 22.32 H new ATOM 0 HG12 ILE A 71 -6.127 10.219 -6.256 1.00 31.22 H new ATOM 0 HG13 ILE A 71 -5.536 10.395 -7.897 1.00 31.22 H new ATOM 0 HG21 ILE A 71 -6.208 7.122 -6.263 1.00 41.33 H new ATOM 0 HG22 ILE A 71 -4.532 6.848 -5.732 1.00 41.33 H new ATOM 0 HG23 ILE A 71 -5.525 8.092 -4.936 1.00 41.33 H new ATOM 0 HD11 ILE A 71 -7.925 9.866 -7.878 1.00 15.42 H new ATOM 0 HD12 ILE A 71 -7.001 8.548 -8.637 1.00 15.42 H new ATOM 0 HD13 ILE A 71 -7.601 8.370 -6.971 1.00 15.42 H new ATOM 1166 N ALA A 72 -1.699 7.904 -7.072 1.00 15.21 N ATOM 1167 CA ALA A 72 -0.618 6.946 -6.880 1.00 31.33 C ATOM 1168 C ALA A 72 0.476 7.546 -6.004 1.00 21.22 C ATOM 1169 O ALA A 72 1.094 6.852 -5.200 1.00 34.23 O ATOM 1170 CB ALA A 72 -0.051 6.505 -8.221 1.00 40.10 C ATOM 0 H ALA A 72 -1.803 8.240 -8.030 1.00 15.21 H new ATOM 0 HA ALA A 72 -1.020 6.068 -6.374 1.00 31.33 H new ATOM 0 HB1 ALA A 72 0.755 5.790 -8.058 1.00 40.10 H new ATOM 0 HB2 ALA A 72 -0.838 6.036 -8.812 1.00 40.10 H new ATOM 0 HB3 ALA A 72 0.336 7.373 -8.755 1.00 40.10 H new ATOM 1176 N ASN A 73 0.695 8.849 -6.154 1.00 41.31 N ATOM 1177 CA ASN A 73 1.692 9.559 -5.355 1.00 31.25 C ATOM 1178 C ASN A 73 1.198 9.700 -3.926 1.00 42.41 C ATOM 1179 O ASN A 73 1.963 9.574 -2.972 1.00 2.13 O ATOM 1180 CB ASN A 73 1.980 10.946 -5.941 1.00 74.50 C ATOM 1181 CG ASN A 73 2.331 10.894 -7.412 1.00 13.34 C ATOM 1182 OD1 ASN A 73 2.012 11.809 -8.171 1.00 51.01 O ATOM 1183 ND2 ASN A 73 2.973 9.818 -7.832 1.00 73.10 N ATOM 0 H ASN A 73 0.196 9.436 -6.822 1.00 41.31 H new ATOM 0 HA ASN A 73 2.616 8.982 -5.369 1.00 31.25 H new ATOM 0 HB2 ASN A 73 1.107 11.584 -5.802 1.00 74.50 H new ATOM 0 HB3 ASN A 73 2.801 11.405 -5.391 1.00 74.50 H new ATOM 0 HD21 ASN A 73 3.222 9.724 -8.817 1.00 73.10 H new ATOM 0 HD22 ASN A 73 3.220 9.081 -7.171 1.00 73.10 H new ATOM 1190 N ASP A 74 -0.093 9.952 -3.797 1.00 54.33 N ATOM 1191 CA ASP A 74 -0.733 10.057 -2.486 1.00 73.04 C ATOM 1192 C ASP A 74 -0.707 8.710 -1.770 1.00 31.12 C ATOM 1193 O ASP A 74 -0.527 8.639 -0.557 1.00 50.21 O ATOM 1194 CB ASP A 74 -2.174 10.551 -2.631 1.00 32.35 C ATOM 1195 CG ASP A 74 -2.858 10.765 -1.294 1.00 3.34 C ATOM 1196 OD1 ASP A 74 -2.492 11.724 -0.581 1.00 3.12 O ATOM 1197 OD2 ASP A 74 -3.775 9.990 -0.957 1.00 40.51 O ATOM 0 H ASP A 74 -0.726 10.089 -4.585 1.00 54.33 H new ATOM 0 HA ASP A 74 -0.176 10.779 -1.889 1.00 73.04 H new ATOM 0 HB2 ASP A 74 -2.178 11.487 -3.190 1.00 32.35 H new ATOM 0 HB3 ASP A 74 -2.744 9.828 -3.214 1.00 32.35 H new ATOM 1202 N THR A 75 -0.863 7.643 -2.540 1.00 44.45 N ATOM 1203 CA THR A 75 -0.804 6.289 -2.006 1.00 61.43 C ATOM 1204 C THR A 75 0.584 5.996 -1.428 1.00 74.05 C ATOM 1205 O THR A 75 0.717 5.277 -0.436 1.00 74.25 O ATOM 1206 CB THR A 75 -1.156 5.259 -3.102 1.00 44.11 C ATOM 1207 OG1 THR A 75 -2.479 5.519 -3.596 1.00 10.54 O ATOM 1208 CG2 THR A 75 -1.083 3.836 -2.572 1.00 44.24 C ATOM 0 H THR A 75 -1.033 7.689 -3.545 1.00 44.45 H new ATOM 0 HA THR A 75 -1.537 6.207 -1.203 1.00 61.43 H new ATOM 0 HB THR A 75 -0.428 5.358 -3.907 1.00 44.11 H new ATOM 0 HG1 THR A 75 -2.456 6.286 -4.205 1.00 10.54 H new ATOM 0 HG21 THR A 75 -1.337 3.137 -3.369 1.00 44.24 H new ATOM 0 HG22 THR A 75 -0.073 3.631 -2.218 1.00 44.24 H new ATOM 0 HG23 THR A 75 -1.787 3.718 -1.749 1.00 44.24 H new ATOM 1216 N LEU A 76 1.611 6.588 -2.033 1.00 34.20 N ATOM 1217 CA LEU A 76 2.987 6.436 -1.557 1.00 43.34 C ATOM 1218 C LEU A 76 3.133 6.960 -0.132 1.00 70.32 C ATOM 1219 O LEU A 76 3.955 6.466 0.638 1.00 10.33 O ATOM 1220 CB LEU A 76 3.958 7.181 -2.477 1.00 24.22 C ATOM 1221 CG LEU A 76 4.049 6.646 -3.906 1.00 51.22 C ATOM 1222 CD1 LEU A 76 4.873 7.586 -4.772 1.00 44.05 C ATOM 1223 CD2 LEU A 76 4.649 5.246 -3.913 1.00 45.43 C ATOM 0 H LEU A 76 1.517 7.181 -2.858 1.00 34.20 H new ATOM 0 HA LEU A 76 3.226 5.373 -1.566 1.00 43.34 H new ATOM 0 HB2 LEU A 76 3.661 8.229 -2.518 1.00 24.22 H new ATOM 0 HB3 LEU A 76 4.952 7.148 -2.031 1.00 24.22 H new ATOM 0 HG LEU A 76 3.042 6.590 -4.320 1.00 51.22 H new ATOM 0 HD11 LEU A 76 4.929 7.191 -5.786 1.00 44.05 H new ATOM 0 HD12 LEU A 76 4.403 8.569 -4.790 1.00 44.05 H new ATOM 0 HD13 LEU A 76 5.879 7.672 -4.361 1.00 44.05 H new ATOM 0 HD21 LEU A 76 4.707 4.880 -4.938 1.00 45.43 H new ATOM 0 HD22 LEU A 76 5.650 5.277 -3.482 1.00 45.43 H new ATOM 0 HD23 LEU A 76 4.021 4.578 -3.324 1.00 45.43 H new ATOM 1235 N ARG A 77 2.326 7.960 0.207 1.00 31.04 N ATOM 1236 CA ARG A 77 2.344 8.552 1.541 1.00 14.51 C ATOM 1237 C ARG A 77 1.925 7.506 2.574 1.00 50.15 C ATOM 1238 O ARG A 77 2.484 7.430 3.670 1.00 12.52 O ATOM 1239 CB ARG A 77 1.399 9.756 1.587 1.00 51.53 C ATOM 1240 CG ARG A 77 1.682 10.731 2.716 1.00 51.11 C ATOM 1241 CD ARG A 77 3.017 11.433 2.517 1.00 33.52 C ATOM 1242 NE ARG A 77 3.131 12.630 3.351 1.00 3.33 N ATOM 1243 CZ ARG A 77 4.071 13.565 3.207 1.00 31.31 C ATOM 1244 NH1 ARG A 77 5.032 13.425 2.298 1.00 52.11 N ATOM 1245 NH2 ARG A 77 4.049 14.639 3.987 1.00 73.31 N ATOM 0 H ARG A 77 1.647 8.380 -0.428 1.00 31.04 H new ATOM 0 HA ARG A 77 3.353 8.891 1.774 1.00 14.51 H new ATOM 0 HB2 ARG A 77 1.462 10.289 0.638 1.00 51.53 H new ATOM 0 HB3 ARG A 77 0.375 9.395 1.682 1.00 51.53 H new ATOM 0 HG2 ARG A 77 0.884 11.471 2.769 1.00 51.11 H new ATOM 0 HG3 ARG A 77 1.687 10.198 3.667 1.00 51.11 H new ATOM 0 HD2 ARG A 77 3.828 10.745 2.755 1.00 33.52 H new ATOM 0 HD3 ARG A 77 3.130 11.708 1.468 1.00 33.52 H new ATOM 0 HE ARG A 77 2.444 12.758 4.094 1.00 3.33 H new ATOM 0 HH11 ARG A 77 5.055 12.597 1.703 1.00 52.11 H new ATOM 0 HH12 ARG A 77 5.746 14.146 2.196 1.00 52.11 H new ATOM 0 HH21 ARG A 77 3.317 14.744 4.690 1.00 73.31 H new ATOM 0 HH22 ARG A 77 4.764 15.359 3.884 1.00 73.31 H new ATOM 1259 N TRP A 78 0.938 6.698 2.207 1.00 31.43 N ATOM 1260 CA TRP A 78 0.492 5.599 3.054 1.00 51.12 C ATOM 1261 C TRP A 78 1.480 4.436 3.003 1.00 75.22 C ATOM 1262 O TRP A 78 1.794 3.836 4.032 1.00 53.41 O ATOM 1263 CB TRP A 78 -0.901 5.121 2.635 1.00 0.03 C ATOM 1264 CG TRP A 78 -1.993 6.102 2.946 1.00 62.11 C ATOM 1265 CD1 TRP A 78 -2.683 6.871 2.053 1.00 24.24 C ATOM 1266 CD2 TRP A 78 -2.519 6.421 4.242 1.00 62.14 C ATOM 1267 NE1 TRP A 78 -3.605 7.648 2.713 1.00 30.13 N ATOM 1268 CE2 TRP A 78 -3.524 7.390 4.057 1.00 43.41 C ATOM 1269 CE3 TRP A 78 -2.240 5.983 5.541 1.00 3.02 C ATOM 1270 CZ2 TRP A 78 -4.249 7.926 5.119 1.00 2.20 C ATOM 1271 CZ3 TRP A 78 -2.960 6.515 6.594 1.00 2.22 C ATOM 1272 CH2 TRP A 78 -3.955 7.477 6.378 1.00 40.34 C ATOM 0 H TRP A 78 0.430 6.784 1.326 1.00 31.43 H new ATOM 0 HA TRP A 78 0.442 5.968 4.078 1.00 51.12 H new ATOM 0 HB2 TRP A 78 -0.900 4.920 1.564 1.00 0.03 H new ATOM 0 HB3 TRP A 78 -1.118 4.178 3.136 1.00 0.03 H new ATOM 0 HD1 TRP A 78 -2.527 6.869 0.984 1.00 24.24 H new ATOM 0 HE1 TRP A 78 -4.246 8.309 2.274 1.00 30.13 H new ATOM 0 HE3 TRP A 78 -1.475 5.242 5.718 1.00 3.02 H new ATOM 0 HZ2 TRP A 78 -5.015 8.669 4.955 1.00 2.20 H new ATOM 0 HZ3 TRP A 78 -2.752 6.183 7.601 1.00 2.22 H new ATOM 0 HH2 TRP A 78 -4.501 7.872 7.222 1.00 40.34 H new ATOM 1283 N LEU A 79 1.966 4.125 1.800 1.00 72.20 N ATOM 1284 CA LEU A 79 2.933 3.042 1.610 1.00 22.45 C ATOM 1285 C LEU A 79 4.175 3.272 2.466 1.00 72.20 C ATOM 1286 O LEU A 79 4.699 2.341 3.075 1.00 4.13 O ATOM 1287 CB LEU A 79 3.339 2.929 0.136 1.00 4.12 C ATOM 1288 CG LEU A 79 2.206 2.603 -0.842 1.00 22.33 C ATOM 1289 CD1 LEU A 79 2.743 2.513 -2.262 1.00 74.23 C ATOM 1290 CD2 LEU A 79 1.511 1.308 -0.453 1.00 22.33 C ATOM 0 H LEU A 79 1.705 4.609 0.941 1.00 72.20 H new ATOM 0 HA LEU A 79 2.456 2.112 1.918 1.00 22.45 H new ATOM 0 HB2 LEU A 79 3.798 3.870 -0.169 1.00 4.12 H new ATOM 0 HB3 LEU A 79 4.104 2.158 0.047 1.00 4.12 H new ATOM 0 HG LEU A 79 1.473 3.408 -0.797 1.00 22.33 H new ATOM 0 HD11 LEU A 79 1.926 2.281 -2.946 1.00 74.23 H new ATOM 0 HD12 LEU A 79 3.191 3.466 -2.543 1.00 74.23 H new ATOM 0 HD13 LEU A 79 3.497 1.727 -2.317 1.00 74.23 H new ATOM 0 HD21 LEU A 79 0.710 1.098 -1.162 1.00 22.33 H new ATOM 0 HD22 LEU A 79 2.232 0.490 -0.466 1.00 22.33 H new ATOM 0 HD23 LEU A 79 1.092 1.406 0.548 1.00 22.33 H new ATOM 1302 N LYS A 80 4.630 4.524 2.494 1.00 31.04 N ATOM 1303 CA LYS A 80 5.737 4.947 3.329 1.00 40.43 C ATOM 1304 C LYS A 80 5.584 4.427 4.755 1.00 43.42 C ATOM 1305 O LYS A 80 6.425 3.681 5.251 1.00 1.34 O ATOM 1306 CB LYS A 80 5.771 6.476 3.332 1.00 22.31 C ATOM 1307 CG LYS A 80 6.845 7.085 4.207 1.00 32.42 C ATOM 1308 CD LYS A 80 8.184 7.147 3.501 1.00 22.11 C ATOM 1309 CE LYS A 80 8.840 5.782 3.359 1.00 73.34 C ATOM 1310 NZ LYS A 80 10.240 5.899 2.874 1.00 71.21 N ATOM 0 H LYS A 80 4.232 5.275 1.930 1.00 31.04 H new ATOM 0 HA LYS A 80 6.667 4.541 2.930 1.00 40.43 H new ATOM 0 HB2 LYS A 80 5.915 6.824 2.309 1.00 22.31 H new ATOM 0 HB3 LYS A 80 4.800 6.846 3.661 1.00 22.31 H new ATOM 0 HG2 LYS A 80 6.545 8.090 4.504 1.00 32.42 H new ATOM 0 HG3 LYS A 80 6.944 6.499 5.121 1.00 32.42 H new ATOM 0 HD2 LYS A 80 8.048 7.584 2.512 1.00 22.11 H new ATOM 0 HD3 LYS A 80 8.850 7.809 4.053 1.00 22.11 H new ATOM 0 HE2 LYS A 80 8.829 5.270 4.321 1.00 73.34 H new ATOM 0 HE3 LYS A 80 8.263 5.170 2.665 1.00 73.34 H new ATOM 0 HZ1 LYS A 80 10.658 4.951 2.788 1.00 71.21 H new ATOM 0 HZ2 LYS A 80 10.248 6.366 1.945 1.00 71.21 H new ATOM 0 HZ3 LYS A 80 10.795 6.462 3.549 1.00 71.21 H new ATOM 1324 N ARG A 81 4.487 4.812 5.388 1.00 2.13 N ATOM 1325 CA ARG A 81 4.216 4.443 6.772 1.00 53.11 C ATOM 1326 C ARG A 81 4.062 2.932 6.934 1.00 20.45 C ATOM 1327 O ARG A 81 4.621 2.344 7.859 1.00 60.14 O ATOM 1328 CB ARG A 81 2.952 5.151 7.262 1.00 53.40 C ATOM 1329 CG ARG A 81 3.042 6.666 7.194 1.00 55.30 C ATOM 1330 CD ARG A 81 1.706 7.318 7.511 1.00 60.55 C ATOM 1331 NE ARG A 81 1.791 8.777 7.504 1.00 74.53 N ATOM 1332 CZ ARG A 81 1.032 9.566 6.743 1.00 0.31 C ATOM 1333 NH1 ARG A 81 0.154 9.038 5.898 1.00 35.43 N ATOM 1334 NH2 ARG A 81 1.161 10.883 6.824 1.00 15.52 N ATOM 0 H ARG A 81 3.761 5.387 4.961 1.00 2.13 H new ATOM 0 HA ARG A 81 5.069 4.757 7.374 1.00 53.11 H new ATOM 0 HB2 ARG A 81 2.104 4.818 6.664 1.00 53.40 H new ATOM 0 HB3 ARG A 81 2.754 4.852 8.291 1.00 53.40 H new ATOM 0 HG2 ARG A 81 3.796 7.019 7.897 1.00 55.30 H new ATOM 0 HG3 ARG A 81 3.368 6.968 6.199 1.00 55.30 H new ATOM 0 HD2 ARG A 81 0.963 6.995 6.781 1.00 60.55 H new ATOM 0 HD3 ARG A 81 1.361 6.980 8.488 1.00 60.55 H new ATOM 0 HE ARG A 81 2.473 9.219 8.120 1.00 74.53 H new ATOM 0 HH11 ARG A 81 0.058 8.025 5.829 1.00 35.43 H new ATOM 0 HH12 ARG A 81 -0.424 9.646 5.318 1.00 35.43 H new ATOM 0 HH21 ARG A 81 1.840 11.290 7.467 1.00 15.52 H new ATOM 0 HH22 ARG A 81 0.582 11.489 6.243 1.00 15.52 H new ATOM 1348 N MET A 82 3.320 2.313 6.022 1.00 21.45 N ATOM 1349 CA MET A 82 3.026 0.882 6.108 1.00 35.43 C ATOM 1350 C MET A 82 4.298 0.042 6.025 1.00 61.04 C ATOM 1351 O MET A 82 4.515 -0.850 6.845 1.00 50.45 O ATOM 1352 CB MET A 82 2.050 0.463 5.004 1.00 24.32 C ATOM 1353 CG MET A 82 1.703 -1.022 5.027 1.00 74.32 C ATOM 1354 SD MET A 82 0.592 -1.506 3.688 1.00 23.23 S ATOM 1355 CE MET A 82 1.551 -1.002 2.263 1.00 43.13 C ATOM 0 H MET A 82 2.909 2.778 5.213 1.00 21.45 H new ATOM 0 HA MET A 82 2.564 0.703 7.079 1.00 35.43 H new ATOM 0 HB2 MET A 82 1.133 1.043 5.102 1.00 24.32 H new ATOM 0 HB3 MET A 82 2.482 0.712 4.035 1.00 24.32 H new ATOM 0 HG2 MET A 82 2.621 -1.605 4.959 1.00 74.32 H new ATOM 0 HG3 MET A 82 1.240 -1.267 5.983 1.00 74.32 H new ATOM 0 HE1 MET A 82 1.183 -1.518 1.376 1.00 43.13 H new ATOM 0 HE2 MET A 82 1.455 0.075 2.122 1.00 43.13 H new ATOM 0 HE3 MET A 82 2.599 -1.255 2.422 1.00 43.13 H new ATOM 1365 N PHE A 83 5.145 0.337 5.045 1.00 41.14 N ATOM 1366 CA PHE A 83 6.357 -0.446 4.837 1.00 61.42 C ATOM 1367 C PHE A 83 7.409 -0.123 5.893 1.00 21.00 C ATOM 1368 O PHE A 83 8.130 -1.013 6.348 1.00 74.15 O ATOM 1369 CB PHE A 83 6.918 -0.221 3.430 1.00 72.22 C ATOM 1370 CG PHE A 83 6.051 -0.787 2.340 1.00 33.12 C ATOM 1371 CD1 PHE A 83 5.622 -2.104 2.390 1.00 64.15 C ATOM 1372 CD2 PHE A 83 5.672 -0.006 1.262 1.00 42.32 C ATOM 1373 CE1 PHE A 83 4.824 -2.626 1.390 1.00 11.40 C ATOM 1374 CE2 PHE A 83 4.875 -0.522 0.259 1.00 34.11 C ATOM 1375 CZ PHE A 83 4.452 -1.834 0.320 1.00 51.01 C ATOM 0 H PHE A 83 5.016 1.106 4.387 1.00 41.14 H new ATOM 0 HA PHE A 83 6.093 -1.499 4.935 1.00 61.42 H new ATOM 0 HB2 PHE A 83 7.043 0.849 3.265 1.00 72.22 H new ATOM 0 HB3 PHE A 83 7.908 -0.672 3.366 1.00 72.22 H new ATOM 0 HD1 PHE A 83 5.915 -2.730 3.220 1.00 64.15 H new ATOM 0 HD2 PHE A 83 6.004 1.020 1.204 1.00 42.32 H new ATOM 0 HE1 PHE A 83 4.491 -3.652 1.444 1.00 11.40 H new ATOM 0 HE2 PHE A 83 4.583 0.101 -0.573 1.00 34.11 H new ATOM 0 HZ PHE A 83 3.832 -2.241 -0.466 1.00 51.01 H new ATOM 1385 N ASN A 84 7.484 1.144 6.292 1.00 52.33 N ATOM 1386 CA ASN A 84 8.402 1.556 7.350 1.00 54.41 C ATOM 1387 C ASN A 84 8.090 0.806 8.639 1.00 12.40 C ATOM 1388 O ASN A 84 8.992 0.319 9.320 1.00 42.33 O ATOM 1389 CB ASN A 84 8.311 3.068 7.586 1.00 23.41 C ATOM 1390 CG ASN A 84 9.217 3.557 8.705 1.00 24.50 C ATOM 1391 OD1 ASN A 84 8.869 4.486 9.436 1.00 5.32 O ATOM 1392 ND2 ASN A 84 10.391 2.955 8.839 1.00 63.44 N ATOM 0 H ASN A 84 6.923 1.900 5.901 1.00 52.33 H new ATOM 0 HA ASN A 84 9.418 1.315 7.037 1.00 54.41 H new ATOM 0 HB2 ASN A 84 8.570 3.589 6.664 1.00 23.41 H new ATOM 0 HB3 ASN A 84 7.280 3.331 7.822 1.00 23.41 H new ATOM 0 HD21 ASN A 84 11.040 3.258 9.566 1.00 63.44 H new ATOM 0 HD22 ASN A 84 10.645 2.189 8.215 1.00 63.44 H new ATOM 1399 N TYR A 85 6.803 0.699 8.952 1.00 2.02 N ATOM 1400 CA TYR A 85 6.362 -0.021 10.135 1.00 61.25 C ATOM 1401 C TYR A 85 6.771 -1.488 10.054 1.00 23.53 C ATOM 1402 O TYR A 85 7.140 -2.095 11.056 1.00 30.53 O ATOM 1403 CB TYR A 85 4.842 0.092 10.294 1.00 53.31 C ATOM 1404 CG TYR A 85 4.300 -0.705 11.461 1.00 14.05 C ATOM 1405 CD1 TYR A 85 4.278 -0.169 12.742 1.00 3.22 C ATOM 1406 CD2 TYR A 85 3.836 -2.003 11.283 1.00 34.31 C ATOM 1407 CE1 TYR A 85 3.810 -0.906 13.812 1.00 55.20 C ATOM 1408 CE2 TYR A 85 3.363 -2.742 12.347 1.00 35.32 C ATOM 1409 CZ TYR A 85 3.353 -2.189 13.607 1.00 43.11 C ATOM 1410 OH TYR A 85 2.899 -2.929 14.671 1.00 14.53 O ATOM 0 H TYR A 85 6.047 1.104 8.399 1.00 2.02 H new ATOM 0 HA TYR A 85 6.841 0.427 11.005 1.00 61.25 H new ATOM 0 HB2 TYR A 85 4.574 1.141 10.424 1.00 53.31 H new ATOM 0 HB3 TYR A 85 4.362 -0.248 9.377 1.00 53.31 H new ATOM 0 HD1 TYR A 85 4.632 0.838 12.904 1.00 3.22 H new ATOM 0 HD2 TYR A 85 3.846 -2.440 10.295 1.00 34.31 H new ATOM 0 HE1 TYR A 85 3.802 -0.479 14.804 1.00 55.20 H new ATOM 0 HE2 TYR A 85 3.003 -3.748 12.192 1.00 35.32 H new ATOM 0 HH TYR A 85 2.218 -3.563 14.362 1.00 14.53 H new ATOM 1420 N ALA A 86 6.713 -2.051 8.857 1.00 41.44 N ATOM 1421 CA ALA A 86 7.054 -3.452 8.665 1.00 31.02 C ATOM 1422 C ALA A 86 8.548 -3.688 8.866 1.00 3.34 C ATOM 1423 O ALA A 86 8.945 -4.703 9.434 1.00 64.42 O ATOM 1424 CB ALA A 86 6.608 -3.926 7.292 1.00 31.45 C ATOM 0 H ALA A 86 6.434 -1.561 8.007 1.00 41.44 H new ATOM 0 HA ALA A 86 6.524 -4.036 9.417 1.00 31.02 H new ATOM 0 HB1 ALA A 86 6.871 -4.976 7.166 1.00 31.45 H new ATOM 0 HB2 ALA A 86 5.528 -3.809 7.200 1.00 31.45 H new ATOM 0 HB3 ALA A 86 7.104 -3.333 6.524 1.00 31.45 H new ATOM 1430 N ILE A 87 9.378 -2.757 8.409 1.00 52.42 N ATOM 1431 CA ILE A 87 10.819 -2.847 8.646 1.00 3.41 C ATOM 1432 C ILE A 87 11.106 -2.638 10.129 1.00 12.13 C ATOM 1433 O ILE A 87 11.939 -3.323 10.722 1.00 64.12 O ATOM 1434 CB ILE A 87 11.615 -1.812 7.826 1.00 24.45 C ATOM 1435 CG1 ILE A 87 11.316 -1.961 6.333 1.00 44.12 C ATOM 1436 CG2 ILE A 87 13.109 -1.972 8.084 1.00 63.54 C ATOM 1437 CD1 ILE A 87 12.112 -1.017 5.461 1.00 22.11 C ATOM 0 H ILE A 87 9.084 -1.938 7.877 1.00 52.42 H new ATOM 0 HA ILE A 87 11.139 -3.839 8.328 1.00 3.41 H new ATOM 0 HB ILE A 87 11.309 -0.814 8.140 1.00 24.45 H new ATOM 0 HG12 ILE A 87 11.525 -2.987 6.029 1.00 44.12 H new ATOM 0 HG13 ILE A 87 10.253 -1.789 6.165 1.00 44.12 H new ATOM 0 HG21 ILE A 87 13.660 -1.236 7.499 1.00 63.54 H new ATOM 0 HG22 ILE A 87 13.313 -1.821 9.144 1.00 63.54 H new ATOM 0 HG23 ILE A 87 13.423 -2.975 7.794 1.00 63.54 H new ATOM 0 HD11 ILE A 87 11.849 -1.178 4.416 1.00 22.11 H new ATOM 0 HD12 ILE A 87 11.885 0.013 5.738 1.00 22.11 H new ATOM 0 HD13 ILE A 87 13.177 -1.204 5.600 1.00 22.11 H new ATOM 1449 N LYS A 88 10.392 -1.686 10.714 1.00 13.45 N ATOM 1450 CA LYS A 88 10.448 -1.426 12.146 1.00 51.40 C ATOM 1451 C LYS A 88 10.107 -2.699 12.922 1.00 55.30 C ATOM 1452 O LYS A 88 10.757 -3.029 13.917 1.00 12.21 O ATOM 1453 CB LYS A 88 9.470 -0.281 12.468 1.00 25.24 C ATOM 1454 CG LYS A 88 9.347 0.101 13.937 1.00 41.40 C ATOM 1455 CD LYS A 88 8.384 -0.813 14.679 1.00 42.23 C ATOM 1456 CE LYS A 88 7.690 -0.086 15.814 1.00 54.42 C ATOM 1457 NZ LYS A 88 8.654 0.565 16.738 1.00 1.13 N ATOM 0 H LYS A 88 9.756 -1.070 10.207 1.00 13.45 H new ATOM 0 HA LYS A 88 11.453 -1.126 12.445 1.00 51.40 H new ATOM 0 HB2 LYS A 88 9.779 0.602 11.909 1.00 25.24 H new ATOM 0 HB3 LYS A 88 8.482 -0.560 12.102 1.00 25.24 H new ATOM 0 HG2 LYS A 88 10.329 0.054 14.408 1.00 41.40 H new ATOM 0 HG3 LYS A 88 9.004 1.132 14.017 1.00 41.40 H new ATOM 0 HD2 LYS A 88 7.639 -1.199 13.984 1.00 42.23 H new ATOM 0 HD3 LYS A 88 8.927 -1.672 15.074 1.00 42.23 H new ATOM 0 HE2 LYS A 88 7.018 0.668 15.403 1.00 54.42 H new ATOM 0 HE3 LYS A 88 7.075 -0.791 16.372 1.00 54.42 H new ATOM 0 HZ1 LYS A 88 8.157 0.872 17.598 1.00 1.13 H new ATOM 0 HZ2 LYS A 88 9.401 -0.112 16.993 1.00 1.13 H new ATOM 0 HZ3 LYS A 88 9.079 1.391 16.270 1.00 1.13 H new ATOM 1471 N ARG A 89 9.101 -3.422 12.442 1.00 31.45 N ATOM 1472 CA ARG A 89 8.678 -4.674 13.060 1.00 63.24 C ATOM 1473 C ARG A 89 9.497 -5.850 12.507 1.00 52.53 C ATOM 1474 O ARG A 89 9.109 -7.009 12.640 1.00 32.41 O ATOM 1475 CB ARG A 89 7.173 -4.881 12.823 1.00 3.25 C ATOM 1476 CG ARG A 89 6.532 -5.883 13.772 1.00 14.41 C ATOM 1477 CD ARG A 89 5.011 -5.866 13.682 1.00 73.32 C ATOM 1478 NE ARG A 89 4.402 -6.806 14.628 1.00 23.41 N ATOM 1479 CZ ARG A 89 3.759 -6.440 15.741 1.00 20.01 C ATOM 1480 NH1 ARG A 89 3.573 -5.162 16.024 1.00 31.34 N ATOM 1481 NH2 ARG A 89 3.291 -7.366 16.566 1.00 54.32 N ATOM 0 H ARG A 89 8.559 -3.159 11.619 1.00 31.45 H new ATOM 0 HA ARG A 89 8.856 -4.626 14.134 1.00 63.24 H new ATOM 0 HB2 ARG A 89 6.664 -3.922 12.924 1.00 3.25 H new ATOM 0 HB3 ARG A 89 7.019 -5.217 11.797 1.00 3.25 H new ATOM 0 HG2 ARG A 89 6.897 -6.884 13.542 1.00 14.41 H new ATOM 0 HG3 ARG A 89 6.837 -5.659 14.794 1.00 14.41 H new ATOM 0 HD2 ARG A 89 4.646 -4.859 13.883 1.00 73.32 H new ATOM 0 HD3 ARG A 89 4.703 -6.120 12.668 1.00 73.32 H new ATOM 0 HE ARG A 89 4.474 -7.803 14.424 1.00 23.41 H new ATOM 0 HH11 ARG A 89 3.922 -4.443 15.390 1.00 31.34 H new ATOM 0 HH12 ARG A 89 3.081 -4.895 16.876 1.00 31.34 H new ATOM 0 HH21 ARG A 89 3.422 -8.354 16.351 1.00 54.32 H new ATOM 0 HH22 ARG A 89 2.800 -7.090 17.416 1.00 54.32 H new ATOM 1495 N HIS A 90 10.637 -5.515 11.887 1.00 13.21 N ATOM 1496 CA HIS A 90 11.623 -6.473 11.352 1.00 64.25 C ATOM 1497 C HIS A 90 11.002 -7.517 10.418 1.00 14.32 C ATOM 1498 O HIS A 90 11.540 -8.612 10.255 1.00 64.04 O ATOM 1499 CB HIS A 90 12.433 -7.148 12.483 1.00 31.04 C ATOM 1500 CG HIS A 90 11.695 -8.166 13.312 1.00 12.42 C ATOM 1501 ND1 HIS A 90 11.181 -7.893 14.562 1.00 53.33 N ATOM 1502 CD2 HIS A 90 11.420 -9.470 13.076 1.00 61.42 C ATOM 1503 CE1 HIS A 90 10.630 -8.986 15.056 1.00 73.32 C ATOM 1504 NE2 HIS A 90 10.760 -9.955 14.176 1.00 21.45 N ATOM 0 H HIS A 90 10.909 -4.543 11.738 1.00 13.21 H new ATOM 0 HA HIS A 90 12.312 -5.886 10.745 1.00 64.25 H new ATOM 0 HB2 HIS A 90 13.303 -7.633 12.039 1.00 31.04 H new ATOM 0 HB3 HIS A 90 12.807 -6.370 13.149 1.00 31.04 H new ATOM 0 HD2 HIS A 90 11.674 -10.026 12.186 1.00 61.42 H new ATOM 0 HE1 HIS A 90 10.152 -9.071 16.021 1.00 73.32 H new ATOM 0 HE2 HIS A 90 10.425 -10.911 14.293 1.00 21.45 H new ATOM 1513 N ILE A 91 9.909 -7.163 9.766 1.00 20.21 N ATOM 1514 CA ILE A 91 9.222 -8.097 8.883 1.00 52.22 C ATOM 1515 C ILE A 91 9.861 -8.108 7.496 1.00 23.51 C ATOM 1516 O ILE A 91 10.219 -9.165 6.979 1.00 0.33 O ATOM 1517 CB ILE A 91 7.721 -7.768 8.748 1.00 75.25 C ATOM 1518 CG1 ILE A 91 7.074 -7.638 10.129 1.00 24.40 C ATOM 1519 CG2 ILE A 91 7.027 -8.854 7.937 1.00 42.44 C ATOM 1520 CD1 ILE A 91 5.610 -7.256 10.081 1.00 13.24 C ATOM 0 H ILE A 91 9.477 -6.241 9.829 1.00 20.21 H new ATOM 0 HA ILE A 91 9.319 -9.083 9.337 1.00 52.22 H new ATOM 0 HB ILE A 91 7.614 -6.815 8.230 1.00 75.25 H new ATOM 0 HG12 ILE A 91 7.176 -8.585 10.659 1.00 24.40 H new ATOM 0 HG13 ILE A 91 7.617 -6.890 10.706 1.00 24.40 H new ATOM 0 HG21 ILE A 91 5.967 -8.618 7.844 1.00 42.44 H new ATOM 0 HG22 ILE A 91 7.475 -8.909 6.945 1.00 42.44 H new ATOM 0 HG23 ILE A 91 7.142 -9.814 8.441 1.00 42.44 H new ATOM 0 HD11 ILE A 91 5.220 -7.183 11.096 1.00 13.24 H new ATOM 0 HD12 ILE A 91 5.501 -6.294 9.580 1.00 13.24 H new ATOM 0 HD13 ILE A 91 5.054 -8.016 9.532 1.00 13.24 H new ATOM 1532 N ILE A 92 10.017 -6.931 6.896 1.00 51.42 N ATOM 1533 CA ILE A 92 10.563 -6.838 5.546 1.00 13.31 C ATOM 1534 C ILE A 92 11.858 -6.039 5.526 1.00 23.14 C ATOM 1535 O ILE A 92 12.120 -5.230 6.414 1.00 73.32 O ATOM 1536 CB ILE A 92 9.573 -6.192 4.552 1.00 11.25 C ATOM 1537 CG1 ILE A 92 9.218 -4.766 4.986 1.00 63.54 C ATOM 1538 CG2 ILE A 92 8.321 -7.046 4.419 1.00 61.24 C ATOM 1539 CD1 ILE A 92 8.366 -4.019 3.982 1.00 21.44 C ATOM 0 H ILE A 92 9.775 -6.035 7.319 1.00 51.42 H new ATOM 0 HA ILE A 92 10.755 -7.864 5.233 1.00 13.31 H new ATOM 0 HB ILE A 92 10.054 -6.135 3.576 1.00 11.25 H new ATOM 0 HG12 ILE A 92 8.690 -4.806 5.939 1.00 63.54 H new ATOM 0 HG13 ILE A 92 10.139 -4.207 5.155 1.00 63.54 H new ATOM 0 HG21 ILE A 92 7.634 -6.577 3.715 1.00 61.24 H new ATOM 0 HG22 ILE A 92 8.593 -8.037 4.055 1.00 61.24 H new ATOM 0 HG23 ILE A 92 7.838 -7.137 5.392 1.00 61.24 H new ATOM 0 HD11 ILE A 92 8.155 -3.018 4.357 1.00 21.44 H new ATOM 0 HD12 ILE A 92 8.900 -3.946 3.034 1.00 21.44 H new ATOM 0 HD13 ILE A 92 7.429 -4.555 3.830 1.00 21.44 H new ATOM 1551 N GLU A 93 12.659 -6.281 4.500 1.00 12.35 N ATOM 1552 CA GLU A 93 13.918 -5.575 4.320 1.00 14.45 C ATOM 1553 C GLU A 93 13.891 -4.746 3.033 1.00 64.42 C ATOM 1554 O GLU A 93 14.659 -3.798 2.874 1.00 53.11 O ATOM 1555 CB GLU A 93 15.066 -6.589 4.273 1.00 3.33 C ATOM 1556 CG GLU A 93 16.427 -5.972 4.010 1.00 3.21 C ATOM 1557 CD GLU A 93 17.517 -7.014 3.866 1.00 41.13 C ATOM 1558 OE1 GLU A 93 17.457 -7.817 2.911 1.00 64.44 O ATOM 1559 OE2 GLU A 93 18.449 -7.022 4.700 1.00 30.31 O ATOM 0 H GLU A 93 12.457 -6.967 3.773 1.00 12.35 H new ATOM 0 HA GLU A 93 14.068 -4.895 5.159 1.00 14.45 H new ATOM 0 HB2 GLU A 93 15.100 -7.127 5.220 1.00 3.33 H new ATOM 0 HB3 GLU A 93 14.856 -7.324 3.496 1.00 3.33 H new ATOM 0 HG2 GLU A 93 16.381 -5.371 3.102 1.00 3.21 H new ATOM 0 HG3 GLU A 93 16.680 -5.296 4.827 1.00 3.21 H new ATOM 1566 N TYR A 94 12.982 -5.096 2.131 1.00 23.41 N ATOM 1567 CA TYR A 94 12.959 -4.505 0.795 1.00 72.30 C ATOM 1568 C TYR A 94 12.469 -3.062 0.808 1.00 41.31 C ATOM 1569 O TYR A 94 13.120 -2.180 0.245 1.00 41.55 O ATOM 1570 CB TYR A 94 12.070 -5.339 -0.132 1.00 72.00 C ATOM 1571 CG TYR A 94 12.543 -6.764 -0.308 1.00 23.32 C ATOM 1572 CD1 TYR A 94 13.498 -7.083 -1.265 1.00 11.42 C ATOM 1573 CD2 TYR A 94 12.036 -7.789 0.482 1.00 52.02 C ATOM 1574 CE1 TYR A 94 13.936 -8.382 -1.427 1.00 11.41 C ATOM 1575 CE2 TYR A 94 12.472 -9.090 0.325 1.00 1.42 C ATOM 1576 CZ TYR A 94 13.421 -9.380 -0.631 1.00 43.44 C ATOM 1577 OH TYR A 94 13.858 -10.677 -0.790 1.00 4.10 O ATOM 0 H TYR A 94 12.250 -5.786 2.299 1.00 23.41 H new ATOM 0 HA TYR A 94 13.985 -4.502 0.427 1.00 72.30 H new ATOM 0 HB2 TYR A 94 11.055 -5.349 0.265 1.00 72.00 H new ATOM 0 HB3 TYR A 94 12.026 -4.857 -1.109 1.00 72.00 H new ATOM 0 HD1 TYR A 94 13.904 -6.303 -1.892 1.00 11.42 H new ATOM 0 HD2 TYR A 94 11.290 -7.565 1.230 1.00 52.02 H new ATOM 0 HE1 TYR A 94 14.680 -8.614 -2.175 1.00 11.41 H new ATOM 0 HE2 TYR A 94 12.071 -9.876 0.948 1.00 1.42 H new ATOM 0 HH TYR A 94 13.396 -11.258 -0.150 1.00 4.10 H new ATOM 1587 N ASN A 95 11.339 -2.829 1.472 1.00 62.45 N ATOM 1588 CA ASN A 95 10.638 -1.566 1.402 1.00 52.42 C ATOM 1589 C ASN A 95 10.407 -1.170 -0.056 1.00 14.43 C ATOM 1590 O ASN A 95 11.045 -0.254 -0.580 1.00 52.41 O ATOM 1591 CB ASN A 95 11.387 -0.474 2.150 1.00 52.25 C ATOM 1592 CG ASN A 95 10.455 0.641 2.529 1.00 14.22 C ATOM 1593 OD1 ASN A 95 9.916 0.674 3.631 1.00 20.50 O ATOM 1594 ND2 ASN A 95 10.222 1.542 1.607 1.00 12.04 N ATOM 0 H ASN A 95 10.889 -3.519 2.074 1.00 62.45 H new ATOM 0 HA ASN A 95 9.669 -1.688 1.887 1.00 52.42 H new ATOM 0 HB2 ASN A 95 11.848 -0.890 3.046 1.00 52.25 H new ATOM 0 HB3 ASN A 95 12.193 -0.086 1.527 1.00 52.25 H new ATOM 0 HD21 ASN A 95 9.572 2.306 1.793 1.00 12.04 H new ATOM 0 HD22 ASN A 95 10.690 1.480 0.703 1.00 12.04 H new ATOM 1601 N PRO A 96 9.471 -1.858 -0.723 1.00 21.42 N ATOM 1602 CA PRO A 96 9.259 -1.730 -2.172 1.00 51.32 C ATOM 1603 C PRO A 96 8.671 -0.384 -2.586 1.00 62.13 C ATOM 1604 O PRO A 96 8.468 -0.130 -3.771 1.00 1.10 O ATOM 1605 CB PRO A 96 8.278 -2.858 -2.481 1.00 3.23 C ATOM 1606 CG PRO A 96 7.540 -3.074 -1.209 1.00 23.23 C ATOM 1607 CD PRO A 96 8.529 -2.814 -0.113 1.00 2.23 C ATOM 0 HA PRO A 96 10.201 -1.790 -2.718 1.00 51.32 H new ATOM 0 HB2 PRO A 96 7.601 -2.584 -3.290 1.00 3.23 H new ATOM 0 HB3 PRO A 96 8.800 -3.762 -2.795 1.00 3.23 H new ATOM 0 HG2 PRO A 96 6.686 -2.400 -1.133 1.00 23.23 H new ATOM 0 HG3 PRO A 96 7.150 -4.090 -1.151 1.00 23.23 H new ATOM 0 HD2 PRO A 96 8.048 -2.396 0.771 1.00 2.23 H new ATOM 0 HD3 PRO A 96 9.032 -3.729 0.200 1.00 2.23 H new ATOM 1615 N ALA A 97 8.418 0.483 -1.615 1.00 51.45 N ATOM 1616 CA ALA A 97 7.908 1.814 -1.907 1.00 62.53 C ATOM 1617 C ALA A 97 9.009 2.667 -2.523 1.00 62.24 C ATOM 1618 O ALA A 97 8.741 3.661 -3.202 1.00 31.11 O ATOM 1619 CB ALA A 97 7.369 2.470 -0.646 1.00 12.44 C ATOM 0 H ALA A 97 8.557 0.289 -0.623 1.00 51.45 H new ATOM 0 HA ALA A 97 7.088 1.726 -2.620 1.00 62.53 H new ATOM 0 HB1 ALA A 97 6.992 3.464 -0.886 1.00 12.44 H new ATOM 0 HB2 ALA A 97 6.560 1.864 -0.238 1.00 12.44 H new ATOM 0 HB3 ALA A 97 8.168 2.552 0.091 1.00 12.44 H new ATOM 1625 N ALA A 98 10.251 2.244 -2.306 1.00 61.34 N ATOM 1626 CA ALA A 98 11.410 2.943 -2.836 1.00 1.15 C ATOM 1627 C ALA A 98 11.565 2.679 -4.329 1.00 2.41 C ATOM 1628 O ALA A 98 12.408 3.277 -4.993 1.00 71.04 O ATOM 1629 CB ALA A 98 12.663 2.515 -2.086 1.00 43.52 C ATOM 0 H ALA A 98 10.478 1.412 -1.761 1.00 61.34 H new ATOM 0 HA ALA A 98 11.264 4.014 -2.696 1.00 1.15 H new ATOM 0 HB1 ALA A 98 13.527 3.043 -2.489 1.00 43.52 H new ATOM 0 HB2 ALA A 98 12.553 2.754 -1.028 1.00 43.52 H new ATOM 0 HB3 ALA A 98 12.808 1.441 -2.203 1.00 43.52 H new ATOM 1635 N ALA A 99 10.737 1.780 -4.856 1.00 22.05 N ATOM 1636 CA ALA A 99 10.754 1.470 -6.279 1.00 73.23 C ATOM 1637 C ALA A 99 10.133 2.604 -7.079 1.00 10.43 C ATOM 1638 O ALA A 99 10.274 2.670 -8.299 1.00 34.42 O ATOM 1639 CB ALA A 99 10.023 0.166 -6.553 1.00 43.40 C ATOM 0 H ALA A 99 10.048 1.255 -4.318 1.00 22.05 H new ATOM 0 HA ALA A 99 11.792 1.354 -6.591 1.00 73.23 H new ATOM 0 HB1 ALA A 99 10.047 -0.047 -7.622 1.00 43.40 H new ATOM 0 HB2 ALA A 99 10.509 -0.645 -6.010 1.00 43.40 H new ATOM 0 HB3 ALA A 99 8.988 0.253 -6.224 1.00 43.40 H new ATOM 1645 N PHE A 100 9.445 3.494 -6.382 1.00 45.20 N ATOM 1646 CA PHE A 100 8.850 4.658 -7.013 1.00 1.13 C ATOM 1647 C PHE A 100 9.331 5.914 -6.301 1.00 23.44 C ATOM 1648 O PHE A 100 10.105 6.693 -6.860 1.00 34.11 O ATOM 1649 CB PHE A 100 7.322 4.567 -6.970 1.00 42.54 C ATOM 1650 CG PHE A 100 6.635 5.475 -7.952 1.00 62.42 C ATOM 1651 CD1 PHE A 100 6.478 6.824 -7.683 1.00 73.23 C ATOM 1652 CD2 PHE A 100 6.146 4.973 -9.147 1.00 71.05 C ATOM 1653 CE1 PHE A 100 5.846 7.656 -8.586 1.00 20.13 C ATOM 1654 CE2 PHE A 100 5.510 5.799 -10.054 1.00 33.11 C ATOM 1655 CZ PHE A 100 5.361 7.144 -9.772 1.00 51.01 C ATOM 0 H PHE A 100 9.285 3.431 -5.377 1.00 45.20 H new ATOM 0 HA PHE A 100 9.155 4.698 -8.059 1.00 1.13 H new ATOM 0 HB2 PHE A 100 7.022 3.538 -7.169 1.00 42.54 H new ATOM 0 HB3 PHE A 100 6.980 4.810 -5.964 1.00 42.54 H new ATOM 0 HD1 PHE A 100 6.854 7.230 -6.756 1.00 73.23 H new ATOM 0 HD2 PHE A 100 6.263 3.923 -9.372 1.00 71.05 H new ATOM 0 HE1 PHE A 100 5.731 8.707 -8.364 1.00 20.13 H new ATOM 0 HE2 PHE A 100 5.130 5.395 -10.981 1.00 33.11 H new ATOM 0 HZ PHE A 100 4.866 7.793 -10.479 1.00 51.01 H new