USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 668 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 22 THR OG1 : rot 180:sc= -0.161 USER MOD Set 1.2: A 24 SER OG : rot -159:sc= 0.685 USER MOD Set 1.3: A 55 GLN : amide:sc= -1.48! C(o=-0.96!,f=-8.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -83:sc= 1.28 USER MOD Single : A 20 CYS SG : rot -135:sc= 0.616 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 26 GLN : amide:sc= -0.0991 X(o=-0.099,f=0) USER MOD Single : A 29 THR OG1 : rot -27:sc= 0.046 USER MOD Single : A 30 GLN : amide:sc= -3.18! C(o=-3.2!,f=-2.5!) USER MOD Single : A 31 THR OG1 : rot 48:sc= 0.514 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot -50:sc= 1.19 USER MOD Single : A 77 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-1.4) USER MOD Single : A 81 SER OG : rot 180:sc=-0.00904 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -49:sc= 0.405 USER MOD Single : A 95 MET CE :methyl -130:sc= 0 (180deg=-0.00955) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N LEU A 7 14.242 -12.406 -7.352 1.00 71.41 N ATOM 108 CA LEU A 7 15.484 -12.611 -6.615 1.00 10.43 C ATOM 109 C LEU A 7 16.689 -12.193 -7.451 1.00 50.24 C ATOM 110 O LEU A 7 16.800 -12.555 -8.622 1.00 3.50 O ATOM 111 CB LEU A 7 15.620 -14.077 -6.201 1.00 75.13 C ATOM 112 CG LEU A 7 16.237 -15.013 -7.241 1.00 22.13 C ATOM 113 CD1 LEU A 7 16.522 -16.376 -6.629 1.00 62.12 C ATOM 114 CD2 LEU A 7 15.320 -15.149 -8.448 1.00 22.25 C ATOM 0 HA LEU A 7 15.452 -11.989 -5.720 1.00 10.43 H new ATOM 0 HB2 LEU A 7 16.225 -14.123 -5.295 1.00 75.13 H new ATOM 0 HB3 LEU A 7 14.630 -14.454 -5.943 1.00 75.13 H new ATOM 0 HG LEU A 7 17.181 -14.582 -7.575 1.00 22.13 H new ATOM 0 HD11 LEU A 7 16.961 -17.029 -7.383 1.00 62.12 H new ATOM 0 HD12 LEU A 7 17.218 -16.263 -5.798 1.00 62.12 H new ATOM 0 HD13 LEU A 7 15.592 -16.814 -6.267 1.00 62.12 H new ATOM 0 HD21 LEU A 7 15.776 -15.819 -9.177 1.00 22.25 H new ATOM 0 HD22 LEU A 7 14.360 -15.556 -8.131 1.00 22.25 H new ATOM 0 HD23 LEU A 7 15.167 -14.169 -8.901 1.00 22.25 H new ATOM 126 N GLY A 8 17.591 -11.430 -6.841 1.00 40.12 N ATOM 127 CA GLY A 8 18.777 -10.977 -7.544 1.00 62.32 C ATOM 128 C GLY A 8 20.051 -11.254 -6.770 1.00 52.21 C ATOM 129 O GLY A 8 21.078 -10.615 -7.002 1.00 33.33 O ATOM 0 H GLY A 8 17.521 -11.118 -5.873 1.00 40.12 H new ATOM 0 HA2 GLY A 8 18.831 -11.470 -8.515 1.00 62.32 H new ATOM 0 HA3 GLY A 8 18.696 -9.907 -7.734 1.00 62.32 H new ATOM 133 N PHE A 9 19.985 -12.207 -5.847 1.00 31.04 N ATOM 134 CA PHE A 9 21.141 -12.565 -5.033 1.00 42.14 C ATOM 135 C PHE A 9 21.209 -14.074 -4.819 1.00 31.15 C ATOM 136 O PHE A 9 20.398 -14.826 -5.360 1.00 43.11 O ATOM 137 CB PHE A 9 21.083 -11.848 -3.683 1.00 30.22 C ATOM 138 CG PHE A 9 19.870 -12.200 -2.869 1.00 42.34 C ATOM 139 CD1 PHE A 9 18.623 -11.700 -3.209 1.00 63.02 C ATOM 140 CD2 PHE A 9 19.977 -13.030 -1.766 1.00 31.25 C ATOM 141 CE1 PHE A 9 17.506 -12.021 -2.462 1.00 31.30 C ATOM 142 CE2 PHE A 9 18.863 -13.355 -1.015 1.00 31.34 C ATOM 143 CZ PHE A 9 17.626 -12.851 -1.364 1.00 54.01 C ATOM 0 H PHE A 9 19.143 -12.746 -5.644 1.00 31.04 H new ATOM 0 HA PHE A 9 22.039 -12.251 -5.564 1.00 42.14 H new ATOM 0 HB2 PHE A 9 21.978 -12.093 -3.111 1.00 30.22 H new ATOM 0 HB3 PHE A 9 21.098 -10.771 -3.852 1.00 30.22 H new ATOM 0 HD1 PHE A 9 18.523 -11.052 -4.067 1.00 63.02 H new ATOM 0 HD2 PHE A 9 20.942 -13.428 -1.489 1.00 31.25 H new ATOM 0 HE1 PHE A 9 16.540 -11.624 -2.736 1.00 31.30 H new ATOM 0 HE2 PHE A 9 18.960 -14.003 -0.156 1.00 31.34 H new ATOM 0 HZ PHE A 9 16.754 -13.105 -0.780 1.00 54.01 H new ATOM 153 N ARG A 10 22.182 -14.510 -4.025 1.00 11.42 N ATOM 154 CA ARG A 10 22.357 -15.929 -3.739 1.00 44.53 C ATOM 155 C ARG A 10 22.088 -16.224 -2.267 1.00 22.12 C ATOM 156 O ARG A 10 22.338 -15.387 -1.399 1.00 33.31 O ATOM 157 CB ARG A 10 23.773 -16.374 -4.109 1.00 45.43 C ATOM 158 CG ARG A 10 23.886 -16.942 -5.514 1.00 74.24 C ATOM 159 CD ARG A 10 25.062 -17.899 -5.636 1.00 55.32 C ATOM 160 NE ARG A 10 24.636 -19.244 -6.014 1.00 42.44 N ATOM 161 CZ ARG A 10 25.469 -20.271 -6.136 1.00 5.02 C ATOM 162 NH1 ARG A 10 26.766 -20.108 -5.909 1.00 54.14 N ATOM 163 NH2 ARG A 10 25.006 -21.465 -6.484 1.00 5.23 N ATOM 0 H ARG A 10 22.861 -13.901 -3.569 1.00 11.42 H new ATOM 0 HA ARG A 10 21.639 -16.487 -4.340 1.00 44.53 H new ATOM 0 HB2 ARG A 10 24.448 -15.523 -4.015 1.00 45.43 H new ATOM 0 HB3 ARG A 10 24.107 -17.126 -3.394 1.00 45.43 H new ATOM 0 HG2 ARG A 10 22.964 -17.463 -5.772 1.00 74.24 H new ATOM 0 HG3 ARG A 10 24.003 -16.127 -6.229 1.00 74.24 H new ATOM 0 HD2 ARG A 10 25.763 -17.519 -6.379 1.00 55.32 H new ATOM 0 HD3 ARG A 10 25.595 -17.941 -4.686 1.00 55.32 H new ATOM 0 HE ARG A 10 23.645 -19.403 -6.194 1.00 42.44 H new ATOM 0 HH11 ARG A 10 27.126 -19.192 -5.640 1.00 54.14 H new ATOM 0 HH12 ARG A 10 27.404 -20.899 -6.003 1.00 54.14 H new ATOM 0 HH21 ARG A 10 24.009 -21.595 -6.658 1.00 5.23 H new ATOM 0 HH22 ARG A 10 25.647 -22.253 -6.577 1.00 5.23 H new ATOM 177 N VAL A 11 21.577 -17.420 -1.992 1.00 71.14 N ATOM 178 CA VAL A 11 21.274 -17.827 -0.625 1.00 41.24 C ATOM 179 C VAL A 11 21.931 -19.161 -0.291 1.00 20.22 C ATOM 180 O VAL A 11 21.687 -20.168 -0.954 1.00 62.35 O ATOM 181 CB VAL A 11 19.755 -17.943 -0.398 1.00 22.42 C ATOM 182 CG1 VAL A 11 19.099 -16.573 -0.459 1.00 41.53 C ATOM 183 CG2 VAL A 11 19.135 -18.887 -1.418 1.00 1.44 C ATOM 0 H VAL A 11 21.364 -18.124 -2.698 1.00 71.14 H new ATOM 0 HA VAL A 11 21.674 -17.054 0.032 1.00 41.24 H new ATOM 0 HB VAL A 11 19.584 -18.356 0.596 1.00 22.42 H new ATOM 0 HG11 VAL A 11 18.026 -16.676 -0.296 1.00 41.53 H new ATOM 0 HG12 VAL A 11 19.523 -15.932 0.313 1.00 41.53 H new ATOM 0 HG13 VAL A 11 19.277 -16.128 -1.438 1.00 41.53 H new ATOM 0 HG21 VAL A 11 18.061 -18.957 -1.243 1.00 1.44 H new ATOM 0 HG22 VAL A 11 19.315 -18.506 -2.423 1.00 1.44 H new ATOM 0 HG23 VAL A 11 19.584 -19.875 -1.319 1.00 1.44 H new ATOM 193 N ALA A 12 22.765 -19.161 0.744 1.00 43.23 N ATOM 194 CA ALA A 12 23.456 -20.372 1.169 1.00 71.14 C ATOM 195 C ALA A 12 23.009 -20.798 2.563 1.00 24.11 C ATOM 196 O ALA A 12 23.136 -20.040 3.525 1.00 31.20 O ATOM 197 CB ALA A 12 24.962 -20.160 1.137 1.00 42.35 C ATOM 0 H ALA A 12 22.978 -18.335 1.304 1.00 43.23 H new ATOM 0 HA ALA A 12 23.198 -21.171 0.473 1.00 71.14 H new ATOM 0 HB1 ALA A 12 25.465 -21.073 1.457 1.00 42.35 H new ATOM 0 HB2 ALA A 12 25.273 -19.911 0.122 1.00 42.35 H new ATOM 0 HB3 ALA A 12 25.229 -19.344 1.809 1.00 42.35 H new ATOM 203 N VAL A 13 22.486 -22.016 2.666 1.00 52.43 N ATOM 204 CA VAL A 13 22.021 -22.543 3.943 1.00 14.41 C ATOM 205 C VAL A 13 23.118 -23.338 4.642 1.00 51.51 C ATOM 206 O VAL A 13 23.803 -24.149 4.021 1.00 50.34 O ATOM 207 CB VAL A 13 20.785 -23.444 3.762 1.00 51.01 C ATOM 208 CG1 VAL A 13 21.156 -24.716 3.015 1.00 44.34 C ATOM 209 CG2 VAL A 13 20.162 -23.771 5.111 1.00 41.04 C ATOM 0 H VAL A 13 22.374 -22.656 1.880 1.00 52.43 H new ATOM 0 HA VAL A 13 21.749 -21.686 4.559 1.00 14.41 H new ATOM 0 HB VAL A 13 20.048 -22.904 3.168 1.00 51.01 H new ATOM 0 HG11 VAL A 13 20.270 -25.340 2.897 1.00 44.34 H new ATOM 0 HG12 VAL A 13 21.552 -24.459 2.033 1.00 44.34 H new ATOM 0 HG13 VAL A 13 21.912 -25.262 3.580 1.00 44.34 H new ATOM 0 HG21 VAL A 13 19.290 -24.408 4.964 1.00 41.04 H new ATOM 0 HG22 VAL A 13 20.891 -24.291 5.732 1.00 41.04 H new ATOM 0 HG23 VAL A 13 19.858 -22.848 5.605 1.00 41.04 H new ATOM 219 N GLY A 14 23.279 -23.099 5.940 1.00 11.11 N ATOM 220 CA GLY A 14 24.294 -23.801 6.703 1.00 44.20 C ATOM 221 C GLY A 14 24.226 -23.488 8.185 1.00 45.45 C ATOM 222 O GLY A 14 23.180 -23.086 8.693 1.00 0.34 O ATOM 0 H GLY A 14 22.725 -22.432 6.476 1.00 11.11 H new ATOM 0 HA2 GLY A 14 24.177 -24.875 6.556 1.00 44.20 H new ATOM 0 HA3 GLY A 14 25.280 -23.533 6.323 1.00 44.20 H new ATOM 226 N ARG A 15 25.344 -23.673 8.879 1.00 63.41 N ATOM 227 CA ARG A 15 25.406 -23.411 10.312 1.00 44.44 C ATOM 228 C ARG A 15 26.582 -22.497 10.646 1.00 21.44 C ATOM 229 O ARG A 15 27.647 -22.591 10.036 1.00 22.12 O ATOM 230 CB ARG A 15 25.529 -24.723 11.088 1.00 62.35 C ATOM 231 CG ARG A 15 24.399 -25.702 10.812 1.00 45.14 C ATOM 232 CD ARG A 15 23.301 -25.594 11.858 1.00 50.04 C ATOM 233 NE ARG A 15 22.855 -26.905 12.320 1.00 33.41 N ATOM 234 CZ ARG A 15 23.517 -27.635 13.210 1.00 23.35 C ATOM 235 NH1 ARG A 15 24.650 -27.184 13.732 1.00 55.20 N ATOM 236 NH2 ARG A 15 23.047 -28.819 13.581 1.00 20.43 N ATOM 0 H ARG A 15 26.219 -24.003 8.472 1.00 63.41 H new ATOM 0 HA ARG A 15 24.483 -22.910 10.605 1.00 44.44 H new ATOM 0 HB2 ARG A 15 26.478 -25.196 10.837 1.00 62.35 H new ATOM 0 HB3 ARG A 15 25.555 -24.503 12.155 1.00 62.35 H new ATOM 0 HG2 ARG A 15 23.982 -25.509 9.824 1.00 45.14 H new ATOM 0 HG3 ARG A 15 24.792 -26.719 10.799 1.00 45.14 H new ATOM 0 HD2 ARG A 15 23.665 -25.015 12.707 1.00 50.04 H new ATOM 0 HD3 ARG A 15 22.454 -25.050 11.440 1.00 50.04 H new ATOM 0 HE ARG A 15 21.987 -27.281 11.938 1.00 33.41 H new ATOM 0 HH11 ARG A 15 25.015 -26.274 13.450 1.00 55.20 H new ATOM 0 HH12 ARG A 15 25.156 -27.747 14.415 1.00 55.20 H new ATOM 0 HH21 ARG A 15 22.176 -29.170 13.182 1.00 20.43 H new ATOM 0 HH22 ARG A 15 23.557 -29.379 14.265 1.00 20.43 H new ATOM 250 N ASP A 16 26.381 -21.615 11.619 1.00 54.03 N ATOM 251 CA ASP A 16 27.424 -20.685 12.035 1.00 12.14 C ATOM 252 C ASP A 16 28.132 -21.189 13.289 1.00 63.12 C ATOM 253 O ASP A 16 27.815 -22.261 13.804 1.00 3.14 O ATOM 254 CB ASP A 16 26.829 -19.300 12.293 1.00 14.22 C ATOM 255 CG ASP A 16 25.531 -19.364 13.075 1.00 3.51 C ATOM 256 OD1 ASP A 16 24.513 -19.803 12.501 1.00 51.02 O ATOM 257 OD2 ASP A 16 25.535 -18.975 14.262 1.00 55.34 O ATOM 0 H ASP A 16 25.505 -21.525 12.134 1.00 54.03 H new ATOM 0 HA ASP A 16 28.155 -20.614 11.230 1.00 12.14 H new ATOM 0 HB2 ASP A 16 27.551 -18.694 12.841 1.00 14.22 H new ATOM 0 HB3 ASP A 16 26.652 -18.801 11.340 1.00 14.22 H new ATOM 262 N SER A 17 29.094 -20.409 13.773 1.00 33.31 N ATOM 263 CA SER A 17 29.851 -20.779 14.963 1.00 12.02 C ATOM 264 C SER A 17 28.918 -21.026 16.145 1.00 24.41 C ATOM 265 O SER A 17 29.243 -21.785 17.058 1.00 24.41 O ATOM 266 CB SER A 17 30.858 -19.682 15.314 1.00 15.32 C ATOM 267 OG SER A 17 32.166 -20.211 15.438 1.00 43.01 O ATOM 0 H SER A 17 29.367 -19.518 13.359 1.00 33.31 H new ATOM 0 HA SER A 17 30.390 -21.702 14.749 1.00 12.02 H new ATOM 0 HB2 SER A 17 30.845 -18.912 14.542 1.00 15.32 H new ATOM 0 HB3 SER A 17 30.567 -19.202 16.248 1.00 15.32 H new ATOM 0 HG SER A 17 32.791 -19.490 15.661 1.00 43.01 H new ATOM 273 N SER A 18 27.757 -20.380 16.120 1.00 4.34 N ATOM 274 CA SER A 18 26.778 -20.526 17.191 1.00 42.40 C ATOM 275 C SER A 18 25.816 -21.672 16.895 1.00 64.40 C ATOM 276 O SER A 18 25.326 -22.337 17.807 1.00 70.24 O ATOM 277 CB SER A 18 25.996 -19.224 17.376 1.00 10.12 C ATOM 278 OG SER A 18 24.740 -19.287 16.724 1.00 54.44 O ATOM 0 H SER A 18 27.471 -19.750 15.370 1.00 4.34 H new ATOM 0 HA SER A 18 27.315 -20.754 18.112 1.00 42.40 H new ATOM 0 HB2 SER A 18 25.848 -19.033 18.439 1.00 10.12 H new ATOM 0 HB3 SER A 18 26.574 -18.389 16.979 1.00 10.12 H new ATOM 0 HG SER A 18 24.853 -19.071 15.775 1.00 54.44 H new ATOM 284 N GLY A 19 25.551 -21.898 15.612 1.00 42.03 N ATOM 285 CA GLY A 19 24.649 -22.964 15.217 1.00 63.12 C ATOM 286 C GLY A 19 23.205 -22.660 15.562 1.00 1.50 C ATOM 287 O GLY A 19 22.700 -23.104 16.594 1.00 54.54 O ATOM 0 H GLY A 19 25.945 -21.362 14.839 1.00 42.03 H new ATOM 0 HA2 GLY A 19 24.736 -23.130 14.143 1.00 63.12 H new ATOM 0 HA3 GLY A 19 24.949 -23.890 15.707 1.00 63.12 H new ATOM 291 N CYS A 20 22.540 -21.899 14.699 1.00 21.43 N ATOM 292 CA CYS A 20 21.145 -21.534 14.920 1.00 44.55 C ATOM 293 C CYS A 20 20.352 -21.606 13.619 1.00 62.51 C ATOM 294 O CYS A 20 19.307 -20.971 13.479 1.00 11.52 O ATOM 295 CB CYS A 20 21.053 -20.125 15.509 1.00 31.41 C ATOM 296 SG CYS A 20 20.282 -20.058 17.143 1.00 34.41 S ATOM 0 H CYS A 20 22.944 -21.523 13.841 1.00 21.43 H new ATOM 0 HA CYS A 20 20.716 -22.245 15.626 1.00 44.55 H new ATOM 0 HB2 CYS A 20 22.056 -19.704 15.575 1.00 31.41 H new ATOM 0 HB3 CYS A 20 20.486 -19.493 14.825 1.00 31.41 H new ATOM 0 HG CYS A 20 19.433 -19.075 17.182 1.00 34.41 H new ATOM 302 N THR A 21 20.857 -22.385 12.667 1.00 72.42 N ATOM 303 CA THR A 21 20.198 -22.540 11.376 1.00 14.52 C ATOM 304 C THR A 21 19.839 -21.185 10.777 1.00 52.42 C ATOM 305 O THR A 21 18.732 -20.681 10.972 1.00 41.33 O ATOM 306 CB THR A 21 18.919 -23.390 11.497 1.00 52.25 C ATOM 307 OG1 THR A 21 18.614 -23.624 12.876 1.00 42.10 O ATOM 308 CG2 THR A 21 19.083 -24.719 10.775 1.00 21.25 C ATOM 0 H THR A 21 21.721 -22.918 12.766 1.00 72.42 H new ATOM 0 HA THR A 21 20.903 -23.050 10.720 1.00 14.52 H new ATOM 0 HB THR A 21 18.099 -22.841 11.033 1.00 52.25 H new ATOM 0 HG1 THR A 21 17.799 -24.164 12.944 1.00 42.10 H new ATOM 0 HG21 THR A 21 18.168 -25.302 10.874 1.00 21.25 H new ATOM 0 HG22 THR A 21 19.285 -24.537 9.719 1.00 21.25 H new ATOM 0 HG23 THR A 21 19.914 -25.271 11.214 1.00 21.25 H new ATOM 316 N THR A 22 20.781 -20.598 10.045 1.00 2.01 N ATOM 317 CA THR A 22 20.564 -19.301 9.417 1.00 4.22 C ATOM 318 C THR A 22 21.213 -19.242 8.039 1.00 5.42 C ATOM 319 O THR A 22 22.154 -19.983 7.752 1.00 30.52 O ATOM 320 CB THR A 22 21.122 -18.157 10.285 1.00 43.45 C ATOM 321 OG1 THR A 22 21.268 -16.970 9.496 1.00 74.20 O ATOM 322 CG2 THR A 22 22.466 -18.539 10.886 1.00 21.42 C ATOM 0 H THR A 22 21.702 -21.001 9.873 1.00 2.01 H new ATOM 0 HA THR A 22 19.486 -19.176 9.313 1.00 4.22 H new ATOM 0 HB THR A 22 20.418 -17.971 11.096 1.00 43.45 H new ATOM 0 HG1 THR A 22 21.622 -16.247 10.055 1.00 74.20 H new ATOM 0 HG21 THR A 22 22.840 -17.716 11.495 1.00 21.42 H new ATOM 0 HG22 THR A 22 22.347 -19.426 11.509 1.00 21.42 H new ATOM 0 HG23 THR A 22 23.176 -18.750 10.086 1.00 21.42 H new ATOM 330 N LEU A 23 20.707 -18.355 7.190 1.00 50.05 N ATOM 331 CA LEU A 23 21.239 -18.198 5.840 1.00 34.21 C ATOM 332 C LEU A 23 22.009 -16.888 5.707 1.00 31.40 C ATOM 333 O LEU A 23 21.826 -15.966 6.501 1.00 4.13 O ATOM 334 CB LEU A 23 20.104 -18.242 4.815 1.00 13.04 C ATOM 335 CG LEU A 23 19.509 -19.622 4.531 1.00 43.33 C ATOM 336 CD1 LEU A 23 18.694 -20.107 5.719 1.00 74.11 C ATOM 337 CD2 LEU A 23 18.653 -19.584 3.273 1.00 21.52 C ATOM 0 H LEU A 23 19.929 -17.733 7.412 1.00 50.05 H new ATOM 0 HA LEU A 23 21.926 -19.023 5.648 1.00 34.21 H new ATOM 0 HB2 LEU A 23 19.304 -17.588 5.161 1.00 13.04 H new ATOM 0 HB3 LEU A 23 20.472 -17.827 3.877 1.00 13.04 H new ATOM 0 HG LEU A 23 20.327 -20.324 4.369 1.00 43.33 H new ATOM 0 HD11 LEU A 23 18.279 -21.090 5.498 1.00 74.11 H new ATOM 0 HD12 LEU A 23 19.336 -20.173 6.598 1.00 74.11 H new ATOM 0 HD13 LEU A 23 17.883 -19.406 5.914 1.00 74.11 H new ATOM 0 HD21 LEU A 23 18.237 -20.574 3.086 1.00 21.52 H new ATOM 0 HD22 LEU A 23 17.841 -18.869 3.407 1.00 21.52 H new ATOM 0 HD23 LEU A 23 19.267 -19.282 2.424 1.00 21.52 H new ATOM 349 N SER A 24 22.869 -16.814 4.696 1.00 11.33 N ATOM 350 CA SER A 24 23.668 -15.617 4.460 1.00 64.32 C ATOM 351 C SER A 24 23.636 -15.225 2.986 1.00 71.03 C ATOM 352 O SER A 24 23.699 -16.081 2.103 1.00 62.20 O ATOM 353 CB SER A 24 25.113 -15.847 4.906 1.00 24.33 C ATOM 354 OG SER A 24 25.203 -16.945 5.799 1.00 50.44 O ATOM 0 H SER A 24 23.030 -17.568 4.028 1.00 11.33 H new ATOM 0 HA SER A 24 23.240 -14.803 5.045 1.00 64.32 H new ATOM 0 HB2 SER A 24 25.741 -16.031 4.034 1.00 24.33 H new ATOM 0 HB3 SER A 24 25.495 -14.948 5.390 1.00 24.33 H new ATOM 0 HG SER A 24 26.030 -16.876 6.320 1.00 50.44 H new ATOM 360 N ILE A 25 23.537 -13.925 2.728 1.00 31.31 N ATOM 361 CA ILE A 25 23.497 -13.419 1.362 1.00 41.31 C ATOM 362 C ILE A 25 24.903 -13.164 0.829 1.00 51.11 C ATOM 363 O ILE A 25 25.685 -12.434 1.438 1.00 73.21 O ATOM 364 CB ILE A 25 22.681 -12.116 1.268 1.00 33.20 C ATOM 365 CG1 ILE A 25 21.351 -12.267 2.011 1.00 65.14 C ATOM 366 CG2 ILE A 25 22.441 -11.745 -0.188 1.00 21.12 C ATOM 367 CD1 ILE A 25 20.547 -10.988 2.076 1.00 41.31 C ATOM 0 H ILE A 25 23.483 -13.204 3.447 1.00 31.31 H new ATOM 0 HA ILE A 25 23.014 -14.185 0.756 1.00 41.31 H new ATOM 0 HB ILE A 25 23.250 -11.314 1.738 1.00 33.20 H new ATOM 0 HG12 ILE A 25 20.755 -13.037 1.520 1.00 65.14 H new ATOM 0 HG13 ILE A 25 21.548 -12.615 3.025 1.00 65.14 H new ATOM 0 HG21 ILE A 25 21.863 -10.822 -0.238 1.00 21.12 H new ATOM 0 HG22 ILE A 25 23.398 -11.601 -0.689 1.00 21.12 H new ATOM 0 HG23 ILE A 25 21.890 -12.545 -0.681 1.00 21.12 H new ATOM 0 HD11 ILE A 25 19.618 -11.169 2.616 1.00 41.31 H new ATOM 0 HD12 ILE A 25 21.124 -10.221 2.593 1.00 41.31 H new ATOM 0 HD13 ILE A 25 20.319 -10.650 1.065 1.00 41.31 H new ATOM 379 N GLN A 26 25.216 -13.769 -0.312 1.00 71.03 N ATOM 380 CA GLN A 26 26.528 -13.606 -0.928 1.00 34.31 C ATOM 381 C GLN A 26 26.528 -12.438 -1.908 1.00 12.20 C ATOM 382 O GLN A 26 27.447 -12.292 -2.713 1.00 53.31 O ATOM 383 CB GLN A 26 26.939 -14.891 -1.648 1.00 64.51 C ATOM 384 CG GLN A 26 27.020 -16.103 -0.733 1.00 1.41 C ATOM 385 CD GLN A 26 26.124 -17.238 -1.187 1.00 13.23 C ATOM 386 OE1 GLN A 26 26.582 -18.195 -1.812 1.00 4.44 O ATOM 387 NE2 GLN A 26 24.837 -17.138 -0.874 1.00 1.21 N ATOM 0 H GLN A 26 24.580 -14.376 -0.829 1.00 71.03 H new ATOM 0 HA GLN A 26 27.249 -13.394 -0.138 1.00 34.31 H new ATOM 0 HB2 GLN A 26 26.224 -15.095 -2.445 1.00 64.51 H new ATOM 0 HB3 GLN A 26 27.909 -14.738 -2.121 1.00 64.51 H new ATOM 0 HG2 GLN A 26 28.051 -16.454 -0.691 1.00 1.41 H new ATOM 0 HG3 GLN A 26 26.742 -15.809 0.279 1.00 1.41 H new ATOM 0 HE21 GLN A 26 24.500 -16.327 -0.355 1.00 1.21 H new ATOM 0 HE22 GLN A 26 24.186 -17.872 -1.153 1.00 1.21 H new ATOM 396 N GLU A 27 25.491 -11.609 -1.833 1.00 41.04 N ATOM 397 CA GLU A 27 25.372 -10.454 -2.716 1.00 23.13 C ATOM 398 C GLU A 27 24.761 -9.266 -1.978 1.00 33.51 C ATOM 399 O GLU A 27 24.638 -9.279 -0.753 1.00 52.50 O ATOM 400 CB GLU A 27 24.520 -10.803 -3.938 1.00 20.35 C ATOM 401 CG GLU A 27 24.913 -12.113 -4.599 1.00 60.35 C ATOM 402 CD GLU A 27 24.481 -12.186 -6.051 1.00 43.12 C ATOM 403 OE1 GLU A 27 24.166 -11.126 -6.631 1.00 14.13 O ATOM 404 OE2 GLU A 27 24.460 -13.304 -6.608 1.00 15.22 O ATOM 0 H GLU A 27 24.722 -11.715 -1.171 1.00 41.04 H new ATOM 0 HA GLU A 27 26.373 -10.178 -3.048 1.00 23.13 H new ATOM 0 HB2 GLU A 27 23.474 -10.857 -3.638 1.00 20.35 H new ATOM 0 HB3 GLU A 27 24.601 -9.998 -4.669 1.00 20.35 H new ATOM 0 HG2 GLU A 27 25.994 -12.236 -4.539 1.00 60.35 H new ATOM 0 HG3 GLU A 27 24.467 -12.942 -4.049 1.00 60.35 H new ATOM 411 N VAL A 28 24.379 -8.241 -2.733 1.00 20.11 N ATOM 412 CA VAL A 28 23.780 -7.045 -2.152 1.00 72.52 C ATOM 413 C VAL A 28 22.430 -6.741 -2.792 1.00 32.31 C ATOM 414 O VAL A 28 22.320 -5.866 -3.651 1.00 72.13 O ATOM 415 CB VAL A 28 24.700 -5.821 -2.315 1.00 31.05 C ATOM 416 CG1 VAL A 28 25.769 -5.809 -1.232 1.00 54.31 C ATOM 417 CG2 VAL A 28 25.331 -5.809 -3.699 1.00 21.24 C ATOM 0 H VAL A 28 24.474 -8.215 -3.748 1.00 20.11 H new ATOM 0 HA VAL A 28 23.639 -7.245 -1.090 1.00 72.52 H new ATOM 0 HB VAL A 28 24.098 -4.919 -2.208 1.00 31.05 H new ATOM 0 HG11 VAL A 28 26.410 -4.937 -1.363 1.00 54.31 H new ATOM 0 HG12 VAL A 28 25.294 -5.766 -0.252 1.00 54.31 H new ATOM 0 HG13 VAL A 28 26.370 -6.715 -1.304 1.00 54.31 H new ATOM 0 HG21 VAL A 28 25.978 -4.937 -3.796 1.00 21.24 H new ATOM 0 HG22 VAL A 28 25.920 -6.715 -3.838 1.00 21.24 H new ATOM 0 HG23 VAL A 28 24.548 -5.766 -4.456 1.00 21.24 H new ATOM 427 N THR A 29 21.402 -7.470 -2.367 1.00 0.22 N ATOM 428 CA THR A 29 20.058 -7.279 -2.898 1.00 44.10 C ATOM 429 C THR A 29 19.308 -6.203 -2.121 1.00 72.15 C ATOM 430 O THR A 29 18.313 -5.660 -2.601 1.00 2.31 O ATOM 431 CB THR A 29 19.246 -8.587 -2.856 1.00 25.33 C ATOM 432 OG1 THR A 29 17.947 -8.376 -3.418 1.00 53.41 O ATOM 433 CG2 THR A 29 19.110 -9.094 -1.428 1.00 5.22 C ATOM 0 H THR A 29 21.475 -8.198 -1.656 1.00 0.22 H new ATOM 0 HA THR A 29 20.170 -6.963 -3.935 1.00 44.10 H new ATOM 0 HB THR A 29 19.777 -9.337 -3.442 1.00 25.33 H new ATOM 0 HG1 THR A 29 17.694 -7.435 -3.312 1.00 53.41 H new ATOM 0 HG21 THR A 29 18.533 -10.019 -1.424 1.00 5.22 H new ATOM 0 HG22 THR A 29 20.100 -9.282 -1.013 1.00 5.22 H new ATOM 0 HG23 THR A 29 18.600 -8.345 -0.823 1.00 5.22 H new ATOM 441 N GLN A 30 19.791 -5.900 -0.921 1.00 22.50 N ATOM 442 CA GLN A 30 19.164 -4.889 -0.079 1.00 5.34 C ATOM 443 C GLN A 30 18.967 -3.587 -0.848 1.00 15.44 C ATOM 444 O GLN A 30 18.032 -2.831 -0.580 1.00 53.44 O ATOM 445 CB GLN A 30 20.014 -4.635 1.168 1.00 43.43 C ATOM 446 CG GLN A 30 19.723 -5.596 2.309 1.00 41.31 C ATOM 447 CD GLN A 30 18.523 -5.175 3.134 1.00 2.25 C ATOM 448 OE1 GLN A 30 17.547 -5.915 3.254 1.00 72.51 O ATOM 449 NE2 GLN A 30 18.590 -3.980 3.710 1.00 30.00 N ATOM 0 H GLN A 30 20.614 -6.340 -0.510 1.00 22.50 H new ATOM 0 HA GLN A 30 18.186 -5.261 0.226 1.00 5.34 H new ATOM 0 HB2 GLN A 30 21.068 -4.710 0.901 1.00 43.43 H new ATOM 0 HB3 GLN A 30 19.844 -3.614 1.511 1.00 43.43 H new ATOM 0 HG2 GLN A 30 19.549 -6.593 1.904 1.00 41.31 H new ATOM 0 HG3 GLN A 30 20.598 -5.663 2.955 1.00 41.31 H new ATOM 0 HE21 GLN A 30 19.419 -3.399 3.584 1.00 30.00 H new ATOM 0 HE22 GLN A 30 17.813 -3.643 4.278 1.00 30.00 H new ATOM 458 N THR A 31 19.853 -3.329 -1.804 1.00 71.45 N ATOM 459 CA THR A 31 19.777 -2.118 -2.611 1.00 72.13 C ATOM 460 C THR A 31 18.493 -2.084 -3.433 1.00 21.43 C ATOM 461 O THR A 31 18.445 -2.603 -4.548 1.00 53.35 O ATOM 462 CB THR A 31 20.984 -1.999 -3.561 1.00 53.10 C ATOM 463 OG1 THR A 31 21.124 -3.200 -4.328 1.00 1.10 O ATOM 464 CG2 THR A 31 22.263 -1.737 -2.780 1.00 72.33 C ATOM 0 H THR A 31 20.633 -3.943 -2.039 1.00 71.45 H new ATOM 0 HA THR A 31 19.784 -1.276 -1.918 1.00 72.13 H new ATOM 0 HB THR A 31 20.809 -1.159 -4.233 1.00 53.10 H new ATOM 0 HG1 THR A 31 20.253 -3.456 -4.697 1.00 1.10 H new ATOM 0 HG21 THR A 31 23.102 -1.657 -3.472 1.00 72.33 H new ATOM 0 HG22 THR A 31 22.164 -0.807 -2.221 1.00 72.33 H new ATOM 0 HG23 THR A 31 22.441 -2.560 -2.087 1.00 72.33 H new ATOM 472 N TYR A 32 17.455 -1.471 -2.875 1.00 23.14 N ATOM 473 CA TYR A 32 16.170 -1.371 -3.555 1.00 72.44 C ATOM 474 C TYR A 32 15.442 -0.090 -3.160 1.00 71.31 C ATOM 475 O TYR A 32 15.762 0.533 -2.147 1.00 54.34 O ATOM 476 CB TYR A 32 15.300 -2.587 -3.229 1.00 4.23 C ATOM 477 CG TYR A 32 14.828 -3.340 -4.452 1.00 2.12 C ATOM 478 CD1 TYR A 32 15.671 -4.223 -5.116 1.00 34.32 C ATOM 479 CD2 TYR A 32 13.540 -3.168 -4.944 1.00 45.41 C ATOM 480 CE1 TYR A 32 15.244 -4.913 -6.234 1.00 71.11 C ATOM 481 CE2 TYR A 32 13.105 -3.854 -6.061 1.00 32.33 C ATOM 482 CZ TYR A 32 13.960 -4.726 -6.702 1.00 41.43 C ATOM 483 OH TYR A 32 13.530 -5.410 -7.816 1.00 24.51 O ATOM 0 H TYR A 32 17.479 -1.036 -1.953 1.00 23.14 H new ATOM 0 HA TYR A 32 16.358 -1.344 -4.628 1.00 72.44 H new ATOM 0 HB2 TYR A 32 15.865 -3.266 -2.590 1.00 4.23 H new ATOM 0 HB3 TYR A 32 14.432 -2.259 -2.657 1.00 4.23 H new ATOM 0 HD1 TYR A 32 16.677 -4.372 -4.752 1.00 34.32 H new ATOM 0 HD2 TYR A 32 12.868 -2.486 -4.444 1.00 45.41 H new ATOM 0 HE1 TYR A 32 15.912 -5.595 -6.739 1.00 71.11 H new ATOM 0 HE2 TYR A 32 12.101 -3.708 -6.431 1.00 32.33 H new ATOM 0 HH TYR A 32 12.602 -5.165 -8.012 1.00 24.51 H new ATOM 493 N THR A 33 14.459 0.297 -3.967 1.00 42.53 N ATOM 494 CA THR A 33 13.685 1.504 -3.704 1.00 70.21 C ATOM 495 C THR A 33 12.279 1.391 -4.281 1.00 55.32 C ATOM 496 O THR A 33 11.693 2.383 -4.714 1.00 3.11 O ATOM 497 CB THR A 33 14.371 2.751 -4.293 1.00 12.22 C ATOM 498 OG1 THR A 33 15.722 2.443 -4.654 1.00 75.24 O ATOM 499 CG2 THR A 33 14.357 3.898 -3.294 1.00 2.32 C ATOM 0 H THR A 33 14.180 -0.208 -4.808 1.00 42.53 H new ATOM 0 HA THR A 33 13.623 1.610 -2.621 1.00 70.21 H new ATOM 0 HB THR A 33 13.819 3.057 -5.182 1.00 12.22 H new ATOM 0 HG1 THR A 33 16.150 3.241 -5.029 1.00 75.24 H new ATOM 0 HG21 THR A 33 14.847 4.768 -3.732 1.00 2.32 H new ATOM 0 HG22 THR A 33 13.326 4.150 -3.043 1.00 2.32 H new ATOM 0 HG23 THR A 33 14.888 3.600 -2.390 1.00 2.32 H new ATOM 507 N GLY A 34 11.740 0.175 -4.284 1.00 2.42 N ATOM 508 CA GLY A 34 10.406 -0.044 -4.810 1.00 14.23 C ATOM 509 C GLY A 34 10.279 0.373 -6.262 1.00 30.53 C ATOM 510 O GLY A 34 11.171 0.112 -7.069 1.00 52.02 O ATOM 0 H GLY A 34 12.204 -0.662 -3.931 1.00 2.42 H new ATOM 0 HA2 GLY A 34 10.150 -1.099 -4.715 1.00 14.23 H new ATOM 0 HA3 GLY A 34 9.686 0.514 -4.211 1.00 14.23 H new ATOM 514 N SER A 35 9.167 1.020 -6.595 1.00 61.04 N ATOM 515 CA SER A 35 8.924 1.468 -7.962 1.00 3.35 C ATOM 516 C SER A 35 8.846 2.991 -8.028 1.00 21.51 C ATOM 517 O SER A 35 9.120 3.592 -9.065 1.00 50.24 O ATOM 518 CB SER A 35 7.630 0.856 -8.499 1.00 75.22 C ATOM 519 OG SER A 35 7.583 0.922 -9.914 1.00 63.30 O ATOM 0 H SER A 35 8.420 1.246 -5.938 1.00 61.04 H new ATOM 0 HA SER A 35 9.758 1.137 -8.581 1.00 3.35 H new ATOM 0 HB2 SER A 35 7.555 -0.183 -8.178 1.00 75.22 H new ATOM 0 HB3 SER A 35 6.773 1.383 -8.079 1.00 75.22 H new ATOM 0 HG SER A 35 6.747 0.523 -10.232 1.00 63.30 H new ATOM 525 N ASN A 36 8.470 3.607 -6.912 1.00 31.40 N ATOM 526 CA ASN A 36 8.355 5.059 -6.842 1.00 75.23 C ATOM 527 C ASN A 36 9.517 5.660 -6.057 1.00 75.23 C ATOM 528 O ASN A 36 9.878 6.819 -6.253 1.00 52.31 O ATOM 529 CB ASN A 36 7.027 5.455 -6.193 1.00 52.24 C ATOM 530 CG ASN A 36 6.001 5.917 -7.211 1.00 21.53 C ATOM 531 OD1 ASN A 36 5.381 5.103 -7.896 1.00 15.34 O ATOM 532 ND2 ASN A 36 5.819 7.228 -7.314 1.00 34.22 N ATOM 0 H ASN A 36 8.240 3.123 -6.044 1.00 31.40 H new ATOM 0 HA ASN A 36 8.386 5.451 -7.859 1.00 75.23 H new ATOM 0 HB2 ASN A 36 6.628 4.605 -5.640 1.00 52.24 H new ATOM 0 HB3 ASN A 36 7.202 6.252 -5.470 1.00 52.24 H new ATOM 0 HD21 ASN A 36 5.143 7.598 -7.982 1.00 34.22 H new ATOM 0 HD22 ASN A 36 6.356 7.865 -6.725 1.00 34.22 H new ATOM 539 N GLY A 37 10.099 4.861 -5.168 1.00 14.24 N ATOM 540 CA GLY A 37 11.214 5.331 -4.367 1.00 12.23 C ATOM 541 C GLY A 37 12.442 5.632 -5.203 1.00 31.23 C ATOM 542 O GLY A 37 13.315 6.391 -4.785 1.00 50.53 O ATOM 0 H GLY A 37 9.818 3.897 -4.988 1.00 14.24 H new ATOM 0 HA2 GLY A 37 10.916 6.230 -3.827 1.00 12.23 H new ATOM 0 HA3 GLY A 37 11.463 4.578 -3.619 1.00 12.23 H new ATOM 546 N GLY A 38 12.511 5.032 -6.388 1.00 12.53 N ATOM 547 CA GLY A 38 13.646 5.251 -7.265 1.00 0.42 C ATOM 548 C GLY A 38 14.062 3.993 -7.999 1.00 64.54 C ATOM 549 O GLY A 38 14.879 4.044 -8.919 1.00 34.41 O ATOM 0 H GLY A 38 11.801 4.399 -6.756 1.00 12.53 H new ATOM 0 HA2 GLY A 38 13.397 6.026 -7.990 1.00 0.42 H new ATOM 0 HA3 GLY A 38 14.487 5.621 -6.680 1.00 0.42 H new ATOM 611 N GLY A 43 20.244 2.386 -0.708 1.00 21.23 N ATOM 612 CA GLY A 43 19.811 3.136 0.457 1.00 44.44 C ATOM 613 C GLY A 43 19.688 2.268 1.693 1.00 3.31 C ATOM 614 O GLY A 43 20.472 2.379 2.636 1.00 65.32 O ATOM 0 HA2 GLY A 43 20.520 3.941 0.651 1.00 44.44 H new ATOM 0 HA3 GLY A 43 18.849 3.603 0.248 1.00 44.44 H new ATOM 618 N PRO A 44 18.682 1.381 1.700 1.00 10.55 N ATOM 619 CA PRO A 44 18.434 0.475 2.825 1.00 23.33 C ATOM 620 C PRO A 44 19.511 -0.598 2.953 1.00 14.11 C ATOM 621 O PRO A 44 19.537 -1.351 3.926 1.00 62.01 O ATOM 622 CB PRO A 44 17.085 -0.160 2.479 1.00 63.23 C ATOM 623 CG PRO A 44 16.995 -0.071 0.994 1.00 20.43 C ATOM 624 CD PRO A 44 17.709 1.195 0.611 1.00 11.41 C ATOM 0 HA PRO A 44 18.441 1.000 3.780 1.00 23.33 H new ATOM 0 HB2 PRO A 44 17.036 -1.195 2.817 1.00 63.23 H new ATOM 0 HB3 PRO A 44 16.263 0.371 2.958 1.00 63.23 H new ATOM 0 HG2 PRO A 44 17.458 -0.938 0.522 1.00 20.43 H new ATOM 0 HG3 PRO A 44 15.956 -0.047 0.667 1.00 20.43 H new ATOM 0 HD2 PRO A 44 18.202 1.101 -0.357 1.00 11.41 H new ATOM 0 HD3 PRO A 44 17.022 2.038 0.538 1.00 11.41 H new ATOM 632 N ALA A 45 20.397 -0.661 1.965 1.00 71.03 N ATOM 633 CA ALA A 45 21.477 -1.640 1.968 1.00 11.14 C ATOM 634 C ALA A 45 22.720 -1.083 2.653 1.00 4.11 C ATOM 635 O ALA A 45 23.113 -1.548 3.723 1.00 11.24 O ATOM 636 CB ALA A 45 21.803 -2.071 0.546 1.00 4.03 C ATOM 0 H ALA A 45 20.388 -0.045 1.152 1.00 71.03 H new ATOM 0 HA ALA A 45 21.143 -2.511 2.532 1.00 11.14 H new ATOM 0 HB1 ALA A 45 22.611 -2.802 0.564 1.00 4.03 H new ATOM 0 HB2 ALA A 45 20.920 -2.518 0.090 1.00 4.03 H new ATOM 0 HB3 ALA A 45 22.112 -1.202 -0.036 1.00 4.03 H new ATOM 642 N PHE A 46 23.337 -0.085 2.029 1.00 51.21 N ATOM 643 CA PHE A 46 24.538 0.535 2.578 1.00 74.34 C ATOM 644 C PHE A 46 24.261 1.132 3.954 1.00 31.12 C ATOM 645 O PHE A 46 25.181 1.371 4.735 1.00 23.34 O ATOM 646 CB PHE A 46 25.054 1.621 1.632 1.00 2.22 C ATOM 647 CG PHE A 46 26.434 2.106 1.974 1.00 50.53 C ATOM 648 CD1 PHE A 46 27.512 1.236 1.962 1.00 74.23 C ATOM 649 CD2 PHE A 46 26.653 3.433 2.307 1.00 2.42 C ATOM 650 CE1 PHE A 46 28.783 1.679 2.275 1.00 12.11 C ATOM 651 CE2 PHE A 46 27.922 3.882 2.621 1.00 40.50 C ATOM 652 CZ PHE A 46 28.988 3.004 2.606 1.00 11.12 C ATOM 0 H PHE A 46 23.025 0.312 1.143 1.00 51.21 H new ATOM 0 HA PHE A 46 25.300 -0.237 2.684 1.00 74.34 H new ATOM 0 HB2 PHE A 46 25.056 1.234 0.613 1.00 2.22 H new ATOM 0 HB3 PHE A 46 24.365 2.466 1.651 1.00 2.22 H new ATOM 0 HD1 PHE A 46 27.357 0.199 1.705 1.00 74.23 H new ATOM 0 HD2 PHE A 46 25.823 4.124 2.321 1.00 2.42 H new ATOM 0 HE1 PHE A 46 29.615 0.990 2.261 1.00 12.11 H new ATOM 0 HE2 PHE A 46 28.080 4.919 2.878 1.00 40.50 H new ATOM 0 HZ PHE A 46 29.980 3.353 2.853 1.00 11.12 H new ATOM 662 N ALA A 47 22.986 1.371 4.243 1.00 10.23 N ATOM 663 CA ALA A 47 22.587 1.939 5.525 1.00 11.01 C ATOM 664 C ALA A 47 22.731 0.917 6.647 1.00 23.42 C ATOM 665 O ALA A 47 23.148 1.252 7.756 1.00 52.15 O ATOM 666 CB ALA A 47 21.155 2.449 5.454 1.00 61.43 C ATOM 0 H ALA A 47 22.212 1.180 3.607 1.00 10.23 H new ATOM 0 HA ALA A 47 23.249 2.777 5.745 1.00 11.01 H new ATOM 0 HB1 ALA A 47 20.871 2.870 6.418 1.00 61.43 H new ATOM 0 HB2 ALA A 47 21.080 3.218 4.686 1.00 61.43 H new ATOM 0 HB3 ALA A 47 20.487 1.624 5.207 1.00 61.43 H new ATOM 672 N ALA A 48 22.384 -0.332 6.352 1.00 14.23 N ATOM 673 CA ALA A 48 22.476 -1.403 7.336 1.00 31.13 C ATOM 674 C ALA A 48 23.837 -2.088 7.276 1.00 0.02 C ATOM 675 O ALA A 48 24.211 -2.828 8.185 1.00 4.42 O ATOM 676 CB ALA A 48 21.363 -2.417 7.118 1.00 34.25 C ATOM 0 H ALA A 48 22.037 -0.626 5.439 1.00 14.23 H new ATOM 0 HA ALA A 48 22.363 -0.963 8.327 1.00 31.13 H new ATOM 0 HB1 ALA A 48 21.444 -3.211 7.860 1.00 34.25 H new ATOM 0 HB2 ALA A 48 20.396 -1.924 7.219 1.00 34.25 H new ATOM 0 HB3 ALA A 48 21.450 -2.844 6.119 1.00 34.25 H new ATOM 682 N GLY A 49 24.574 -1.837 6.198 1.00 11.22 N ATOM 683 CA GLY A 49 25.885 -2.438 6.040 1.00 42.25 C ATOM 684 C GLY A 49 25.820 -3.810 5.399 1.00 24.34 C ATOM 685 O GLY A 49 26.844 -4.473 5.229 1.00 24.45 O ATOM 0 H GLY A 49 24.286 -1.228 5.432 1.00 11.22 H new ATOM 0 HA2 GLY A 49 26.510 -1.785 5.431 1.00 42.25 H new ATOM 0 HA3 GLY A 49 26.364 -2.518 7.016 1.00 42.25 H new ATOM 689 N LEU A 50 24.614 -4.239 5.045 1.00 63.44 N ATOM 690 CA LEU A 50 24.419 -5.544 4.421 1.00 40.52 C ATOM 691 C LEU A 50 25.319 -5.703 3.200 1.00 71.15 C ATOM 692 O LEU A 50 25.237 -4.924 2.250 1.00 43.20 O ATOM 693 CB LEU A 50 22.955 -5.723 4.017 1.00 73.45 C ATOM 694 CG LEU A 50 22.011 -6.217 5.114 1.00 63.12 C ATOM 695 CD1 LEU A 50 21.016 -5.131 5.491 1.00 3.41 C ATOM 696 CD2 LEU A 50 21.284 -7.476 4.665 1.00 20.32 C ATOM 0 H LEU A 50 23.756 -3.703 5.179 1.00 63.44 H new ATOM 0 HA LEU A 50 24.685 -6.311 5.148 1.00 40.52 H new ATOM 0 HB2 LEU A 50 22.582 -4.768 3.647 1.00 73.45 H new ATOM 0 HB3 LEU A 50 22.912 -6.426 3.185 1.00 73.45 H new ATOM 0 HG LEU A 50 22.605 -6.459 5.995 1.00 63.12 H new ATOM 0 HD11 LEU A 50 20.353 -5.501 6.273 1.00 3.41 H new ATOM 0 HD12 LEU A 50 21.554 -4.256 5.855 1.00 3.41 H new ATOM 0 HD13 LEU A 50 20.427 -4.857 4.615 1.00 3.41 H new ATOM 0 HD21 LEU A 50 20.617 -7.813 5.458 1.00 20.32 H new ATOM 0 HD22 LEU A 50 20.702 -7.260 3.769 1.00 20.32 H new ATOM 0 HD23 LEU A 50 22.011 -8.258 4.446 1.00 20.32 H new ATOM 708 N ARG A 51 26.175 -6.719 3.231 1.00 61.14 N ATOM 709 CA ARG A 51 27.089 -6.982 2.126 1.00 44.32 C ATOM 710 C ARG A 51 27.258 -8.482 1.904 1.00 20.05 C ATOM 711 O ARG A 51 26.694 -9.296 2.636 1.00 15.51 O ATOM 712 CB ARG A 51 28.451 -6.339 2.399 1.00 72.51 C ATOM 713 CG ARG A 51 28.437 -4.822 2.310 1.00 63.22 C ATOM 714 CD ARG A 51 28.310 -4.350 0.870 1.00 14.10 C ATOM 715 NE ARG A 51 29.081 -3.135 0.622 1.00 1.21 N ATOM 716 CZ ARG A 51 30.403 -3.117 0.493 1.00 60.20 C ATOM 717 NH1 ARG A 51 31.097 -4.243 0.587 1.00 33.23 N ATOM 718 NH2 ARG A 51 31.034 -1.972 0.268 1.00 13.44 N ATOM 0 H ARG A 51 26.255 -7.374 4.009 1.00 61.14 H new ATOM 0 HA ARG A 51 26.662 -6.545 1.223 1.00 44.32 H new ATOM 0 HB2 ARG A 51 28.790 -6.633 3.392 1.00 72.51 H new ATOM 0 HB3 ARG A 51 29.177 -6.730 1.686 1.00 72.51 H new ATOM 0 HG2 ARG A 51 27.607 -4.430 2.897 1.00 63.22 H new ATOM 0 HG3 ARG A 51 29.353 -4.422 2.746 1.00 63.22 H new ATOM 0 HD2 ARG A 51 28.650 -5.139 0.199 1.00 14.10 H new ATOM 0 HD3 ARG A 51 27.260 -4.167 0.640 1.00 14.10 H new ATOM 0 HE ARG A 51 28.577 -2.252 0.544 1.00 1.21 H new ATOM 0 HH11 ARG A 51 30.616 -5.126 0.759 1.00 33.23 H new ATOM 0 HH12 ARG A 51 32.112 -4.226 0.488 1.00 33.23 H new ATOM 0 HH21 ARG A 51 30.504 -1.104 0.194 1.00 13.44 H new ATOM 0 HH22 ARG A 51 32.049 -1.960 0.169 1.00 13.44 H new ATOM 732 N VAL A 52 28.038 -8.841 0.890 1.00 23.40 N ATOM 733 CA VAL A 52 28.282 -10.243 0.572 1.00 31.43 C ATOM 734 C VAL A 52 28.894 -10.978 1.760 1.00 43.43 C ATOM 735 O VAL A 52 29.839 -10.494 2.382 1.00 13.22 O ATOM 736 CB VAL A 52 29.215 -10.389 -0.644 1.00 62.13 C ATOM 737 CG1 VAL A 52 28.623 -9.691 -1.859 1.00 12.33 C ATOM 738 CG2 VAL A 52 30.597 -9.839 -0.324 1.00 70.41 C ATOM 0 H VAL A 52 28.512 -8.180 0.274 1.00 23.40 H new ATOM 0 HA VAL A 52 27.315 -10.686 0.333 1.00 31.43 H new ATOM 0 HB VAL A 52 29.316 -11.449 -0.877 1.00 62.13 H new ATOM 0 HG11 VAL A 52 29.297 -9.805 -2.708 1.00 12.33 H new ATOM 0 HG12 VAL A 52 27.657 -10.136 -2.099 1.00 12.33 H new ATOM 0 HG13 VAL A 52 28.490 -8.631 -1.641 1.00 12.33 H new ATOM 0 HG21 VAL A 52 31.243 -9.950 -1.195 1.00 70.41 H new ATOM 0 HG22 VAL A 52 30.517 -8.784 -0.064 1.00 70.41 H new ATOM 0 HG23 VAL A 52 31.022 -10.389 0.516 1.00 70.41 H new ATOM 748 N GLY A 53 28.350 -12.151 2.068 1.00 14.44 N ATOM 749 CA GLY A 53 28.855 -12.934 3.181 1.00 44.34 C ATOM 750 C GLY A 53 28.226 -12.539 4.502 1.00 54.14 C ATOM 751 O GLY A 53 28.700 -12.935 5.566 1.00 21.03 O ATOM 0 H GLY A 53 27.568 -12.573 1.567 1.00 14.44 H new ATOM 0 HA2 GLY A 53 28.665 -13.991 2.993 1.00 44.34 H new ATOM 0 HA3 GLY A 53 29.936 -12.811 3.246 1.00 44.34 H new ATOM 755 N ASP A 54 27.155 -11.755 4.434 1.00 62.11 N ATOM 756 CA ASP A 54 26.460 -11.306 5.634 1.00 15.51 C ATOM 757 C ASP A 54 25.189 -12.119 5.863 1.00 42.34 C ATOM 758 O ASP A 54 24.612 -12.663 4.922 1.00 41.55 O ATOM 759 CB ASP A 54 26.116 -9.819 5.524 1.00 74.34 C ATOM 760 CG ASP A 54 25.738 -9.212 6.860 1.00 11.42 C ATOM 761 OD1 ASP A 54 24.582 -9.400 7.292 1.00 74.43 O ATOM 762 OD2 ASP A 54 26.598 -8.546 7.474 1.00 24.33 O ATOM 0 H ASP A 54 26.750 -11.418 3.561 1.00 62.11 H new ATOM 0 HA ASP A 54 27.124 -11.456 6.485 1.00 15.51 H new ATOM 0 HB2 ASP A 54 26.970 -9.281 5.112 1.00 74.34 H new ATOM 0 HB3 ASP A 54 25.291 -9.691 4.823 1.00 74.34 H new ATOM 767 N GLN A 55 24.761 -12.197 7.118 1.00 31.44 N ATOM 768 CA GLN A 55 23.560 -12.946 7.470 1.00 60.01 C ATOM 769 C GLN A 55 22.380 -12.007 7.698 1.00 43.32 C ATOM 770 O GLN A 55 22.343 -11.267 8.682 1.00 31.32 O ATOM 771 CB GLN A 55 23.807 -13.788 8.723 1.00 13.42 C ATOM 772 CG GLN A 55 24.951 -14.778 8.576 1.00 53.33 C ATOM 773 CD GLN A 55 24.720 -16.057 9.356 1.00 55.13 C ATOM 774 OE1 GLN A 55 24.656 -16.045 10.585 1.00 1.04 O ATOM 775 NE2 GLN A 55 24.592 -17.170 8.643 1.00 20.23 N ATOM 0 H GLN A 55 25.227 -11.751 7.908 1.00 31.44 H new ATOM 0 HA GLN A 55 23.318 -13.608 6.638 1.00 60.01 H new ATOM 0 HB2 GLN A 55 24.018 -13.124 9.561 1.00 13.42 H new ATOM 0 HB3 GLN A 55 22.896 -14.333 8.970 1.00 13.42 H new ATOM 0 HG2 GLN A 55 25.084 -15.019 7.521 1.00 53.33 H new ATOM 0 HG3 GLN A 55 25.876 -14.312 8.916 1.00 53.33 H new ATOM 0 HE21 GLN A 55 24.652 -17.134 7.625 1.00 20.23 H new ATOM 0 HE22 GLN A 55 24.434 -18.061 9.113 1.00 20.23 H new ATOM 784 N LEU A 56 21.418 -12.040 6.782 1.00 25.21 N ATOM 785 CA LEU A 56 20.236 -11.191 6.883 1.00 64.33 C ATOM 786 C LEU A 56 19.078 -11.945 7.528 1.00 1.05 C ATOM 787 O LEU A 56 18.376 -12.710 6.867 1.00 21.34 O ATOM 788 CB LEU A 56 19.825 -10.690 5.497 1.00 34.33 C ATOM 789 CG LEU A 56 18.483 -9.960 5.419 1.00 63.21 C ATOM 790 CD1 LEU A 56 18.598 -8.567 6.018 1.00 42.05 C ATOM 791 CD2 LEU A 56 18.000 -9.885 3.978 1.00 64.43 C ATOM 0 H LEU A 56 21.433 -12.645 5.961 1.00 25.21 H new ATOM 0 HA LEU A 56 20.484 -10.337 7.513 1.00 64.33 H new ATOM 0 HB2 LEU A 56 20.602 -10.020 5.129 1.00 34.33 H new ATOM 0 HB3 LEU A 56 19.792 -11.543 4.819 1.00 34.33 H new ATOM 0 HG LEU A 56 17.750 -10.523 5.998 1.00 63.21 H new ATOM 0 HD11 LEU A 56 17.634 -8.063 5.954 1.00 42.05 H new ATOM 0 HD12 LEU A 56 18.898 -8.644 7.063 1.00 42.05 H new ATOM 0 HD13 LEU A 56 19.344 -7.995 5.467 1.00 42.05 H new ATOM 0 HD21 LEU A 56 17.044 -9.363 3.941 1.00 64.43 H new ATOM 0 HD22 LEU A 56 18.732 -9.345 3.377 1.00 64.43 H new ATOM 0 HD23 LEU A 56 17.878 -10.893 3.582 1.00 64.43 H new ATOM 803 N VAL A 57 18.882 -11.722 8.824 1.00 5.42 N ATOM 804 CA VAL A 57 17.807 -12.377 9.559 1.00 1.21 C ATOM 805 C VAL A 57 16.646 -11.419 9.805 1.00 64.35 C ATOM 806 O VAL A 57 16.790 -10.205 9.663 1.00 53.21 O ATOM 807 CB VAL A 57 18.303 -12.923 10.911 1.00 11.54 C ATOM 808 CG1 VAL A 57 17.410 -14.058 11.389 1.00 41.40 C ATOM 809 CG2 VAL A 57 19.749 -13.381 10.803 1.00 44.44 C ATOM 0 H VAL A 57 19.454 -11.092 9.386 1.00 5.42 H new ATOM 0 HA VAL A 57 17.464 -13.209 8.944 1.00 1.21 H new ATOM 0 HB VAL A 57 18.255 -12.120 11.647 1.00 11.54 H new ATOM 0 HG11 VAL A 57 17.776 -14.431 12.346 1.00 41.40 H new ATOM 0 HG12 VAL A 57 16.390 -13.693 11.508 1.00 41.40 H new ATOM 0 HG13 VAL A 57 17.423 -14.865 10.656 1.00 41.40 H new ATOM 0 HG21 VAL A 57 20.082 -13.764 11.768 1.00 44.44 H new ATOM 0 HG22 VAL A 57 19.826 -14.169 10.054 1.00 44.44 H new ATOM 0 HG23 VAL A 57 20.376 -12.539 10.510 1.00 44.44 H new ATOM 819 N ARG A 58 15.497 -11.974 10.174 1.00 73.42 N ATOM 820 CA ARG A 58 14.310 -11.170 10.439 1.00 42.34 C ATOM 821 C ARG A 58 13.696 -11.534 11.787 1.00 1.11 C ATOM 822 O ARG A 58 13.122 -10.685 12.469 1.00 3.25 O ATOM 823 CB ARG A 58 13.278 -11.364 9.327 1.00 75.13 C ATOM 824 CG ARG A 58 12.323 -10.192 9.170 1.00 11.34 C ATOM 825 CD ARG A 58 11.063 -10.384 10.001 1.00 65.33 C ATOM 826 NE ARG A 58 9.853 -10.127 9.226 1.00 75.21 N ATOM 827 CZ ARG A 58 8.649 -9.982 9.769 1.00 22.45 C ATOM 828 NH1 ARG A 58 8.497 -10.069 11.084 1.00 41.52 N ATOM 829 NH2 ARG A 58 7.595 -9.750 8.998 1.00 72.40 N ATOM 0 H ARG A 58 15.362 -12.978 10.296 1.00 73.42 H new ATOM 0 HA ARG A 58 14.611 -10.123 10.468 1.00 42.34 H new ATOM 0 HB2 ARG A 58 13.799 -11.526 8.383 1.00 75.13 H new ATOM 0 HB3 ARG A 58 12.702 -12.266 9.531 1.00 75.13 H new ATOM 0 HG2 ARG A 58 12.822 -9.271 9.472 1.00 11.34 H new ATOM 0 HG3 ARG A 58 12.054 -10.079 8.120 1.00 11.34 H new ATOM 0 HD2 ARG A 58 11.036 -11.402 10.389 1.00 65.33 H new ATOM 0 HD3 ARG A 58 11.091 -9.716 10.862 1.00 65.33 H new ATOM 0 HE ARG A 58 9.936 -10.055 8.212 1.00 75.21 H new ATOM 0 HH11 ARG A 58 9.305 -10.247 11.680 1.00 41.52 H new ATOM 0 HH12 ARG A 58 7.572 -9.957 11.499 1.00 41.52 H new ATOM 0 HH21 ARG A 58 7.708 -9.683 7.987 1.00 72.40 H new ATOM 0 HH22 ARG A 58 6.671 -9.639 9.417 1.00 72.40 H new ATOM 843 N PHE A 59 13.820 -12.802 12.165 1.00 43.12 N ATOM 844 CA PHE A 59 13.276 -13.279 13.431 1.00 63.31 C ATOM 845 C PHE A 59 14.378 -13.423 14.477 1.00 42.34 C ATOM 846 O PHE A 59 15.362 -14.130 14.264 1.00 64.23 O ATOM 847 CB PHE A 59 12.568 -14.621 13.232 1.00 21.05 C ATOM 848 CG PHE A 59 11.497 -14.584 12.180 1.00 1.31 C ATOM 849 CD1 PHE A 59 10.308 -13.909 12.406 1.00 3.25 C ATOM 850 CD2 PHE A 59 11.679 -15.223 10.964 1.00 2.05 C ATOM 851 CE1 PHE A 59 9.321 -13.874 11.440 1.00 11.40 C ATOM 852 CE2 PHE A 59 10.695 -15.191 9.994 1.00 5.10 C ATOM 853 CZ PHE A 59 9.515 -14.514 10.232 1.00 62.41 C ATOM 0 H PHE A 59 14.292 -13.518 11.613 1.00 43.12 H new ATOM 0 HA PHE A 59 12.554 -12.544 13.788 1.00 63.31 H new ATOM 0 HB2 PHE A 59 13.306 -15.375 12.961 1.00 21.05 H new ATOM 0 HB3 PHE A 59 12.126 -14.933 14.178 1.00 21.05 H new ATOM 0 HD1 PHE A 59 10.151 -13.405 13.348 1.00 3.25 H new ATOM 0 HD2 PHE A 59 12.601 -15.752 10.772 1.00 2.05 H new ATOM 0 HE1 PHE A 59 8.398 -13.346 11.630 1.00 11.40 H new ATOM 0 HE2 PHE A 59 10.849 -15.695 9.051 1.00 5.10 H new ATOM 0 HZ PHE A 59 8.746 -14.485 9.475 1.00 62.41 H new ATOM 863 N ALA A 60 14.205 -12.745 15.607 1.00 71.42 N ATOM 864 CA ALA A 60 15.183 -12.798 16.686 1.00 13.25 C ATOM 865 C ALA A 60 15.551 -14.239 17.024 1.00 12.43 C ATOM 866 O ALA A 60 14.712 -15.012 17.485 1.00 5.15 O ATOM 867 CB ALA A 60 14.647 -12.085 17.919 1.00 34.12 C ATOM 0 H ALA A 60 13.397 -12.153 15.799 1.00 71.42 H new ATOM 0 HA ALA A 60 16.087 -12.290 16.349 1.00 13.25 H new ATOM 0 HB1 ALA A 60 15.388 -12.132 18.717 1.00 34.12 H new ATOM 0 HB2 ALA A 60 14.441 -11.043 17.676 1.00 34.12 H new ATOM 0 HB3 ALA A 60 13.727 -12.569 18.248 1.00 34.12 H new ATOM 873 N GLY A 61 16.811 -14.593 16.791 1.00 71.23 N ATOM 874 CA GLY A 61 17.267 -15.941 17.075 1.00 21.15 C ATOM 875 C GLY A 61 18.186 -16.482 15.998 1.00 52.01 C ATOM 876 O GLY A 61 18.709 -17.590 16.117 1.00 4.14 O ATOM 0 H GLY A 61 17.524 -13.971 16.411 1.00 71.23 H new ATOM 0 HA2 GLY A 61 17.789 -15.950 18.032 1.00 21.15 H new ATOM 0 HA3 GLY A 61 16.404 -16.599 17.176 1.00 21.15 H new ATOM 880 N TYR A 62 18.381 -15.700 14.942 1.00 2.12 N ATOM 881 CA TYR A 62 19.240 -16.109 13.837 1.00 53.53 C ATOM 882 C TYR A 62 18.643 -17.301 13.096 1.00 61.32 C ATOM 883 O TYR A 62 19.252 -18.369 13.020 1.00 42.03 O ATOM 884 CB TYR A 62 20.637 -16.460 14.351 1.00 35.33 C ATOM 885 CG TYR A 62 21.041 -15.683 15.583 1.00 5.23 C ATOM 886 CD1 TYR A 62 21.263 -14.312 15.522 1.00 64.50 C ATOM 887 CD2 TYR A 62 21.203 -16.318 16.808 1.00 22.31 C ATOM 888 CE1 TYR A 62 21.634 -13.598 16.645 1.00 63.03 C ATOM 889 CE2 TYR A 62 21.572 -15.612 17.936 1.00 3.33 C ATOM 890 CZ TYR A 62 21.787 -14.252 17.850 1.00 51.05 C ATOM 891 OH TYR A 62 22.156 -13.545 18.971 1.00 41.23 O ATOM 0 H TYR A 62 17.956 -14.780 14.828 1.00 2.12 H new ATOM 0 HA TYR A 62 19.317 -15.273 13.141 1.00 53.53 H new ATOM 0 HB2 TYR A 62 20.675 -17.526 14.575 1.00 35.33 H new ATOM 0 HB3 TYR A 62 21.363 -16.274 13.560 1.00 35.33 H new ATOM 0 HD1 TYR A 62 21.143 -13.796 14.581 1.00 64.50 H new ATOM 0 HD2 TYR A 62 21.037 -17.383 16.879 1.00 22.31 H new ATOM 0 HE1 TYR A 62 21.803 -12.533 16.580 1.00 63.03 H new ATOM 0 HE2 TYR A 62 21.692 -16.122 18.881 1.00 3.33 H new ATOM 0 HH TYR A 62 22.219 -14.154 19.736 1.00 41.23 H new ATOM 901 N THR A 63 17.446 -17.112 12.549 1.00 1.23 N ATOM 902 CA THR A 63 16.765 -18.170 11.814 1.00 21.34 C ATOM 903 C THR A 63 15.844 -17.593 10.746 1.00 42.13 C ATOM 904 O THR A 63 14.855 -16.929 11.057 1.00 60.43 O ATOM 905 CB THR A 63 15.940 -19.067 12.757 1.00 63.34 C ATOM 906 OG1 THR A 63 15.095 -19.935 11.992 1.00 4.42 O ATOM 907 CG2 THR A 63 15.093 -18.227 13.699 1.00 15.34 C ATOM 0 H THR A 63 16.928 -16.235 12.602 1.00 1.23 H new ATOM 0 HA THR A 63 17.539 -18.771 11.336 1.00 21.34 H new ATOM 0 HB THR A 63 16.631 -19.665 13.351 1.00 63.34 H new ATOM 0 HG1 THR A 63 14.575 -20.503 12.598 1.00 4.42 H new ATOM 0 HG21 THR A 63 14.520 -18.882 14.355 1.00 15.34 H new ATOM 0 HG22 THR A 63 15.741 -17.589 14.300 1.00 15.34 H new ATOM 0 HG23 THR A 63 14.410 -17.607 13.119 1.00 15.34 H new ATOM 915 N VAL A 64 16.175 -17.850 9.484 1.00 20.01 N ATOM 916 CA VAL A 64 15.376 -17.357 8.369 1.00 61.14 C ATOM 917 C VAL A 64 14.900 -18.504 7.485 1.00 73.24 C ATOM 918 O VAL A 64 15.514 -19.571 7.447 1.00 31.01 O ATOM 919 CB VAL A 64 16.170 -16.356 7.508 1.00 24.34 C ATOM 920 CG1 VAL A 64 17.280 -17.068 6.749 1.00 52.32 C ATOM 921 CG2 VAL A 64 15.243 -15.624 6.551 1.00 13.51 C ATOM 0 H VAL A 64 16.991 -18.397 9.209 1.00 20.01 H new ATOM 0 HA VAL A 64 14.512 -16.850 8.799 1.00 61.14 H new ATOM 0 HB VAL A 64 16.628 -15.619 8.168 1.00 24.34 H new ATOM 0 HG11 VAL A 64 17.830 -16.345 6.146 1.00 52.32 H new ATOM 0 HG12 VAL A 64 17.959 -17.542 7.458 1.00 52.32 H new ATOM 0 HG13 VAL A 64 16.847 -17.828 6.099 1.00 52.32 H new ATOM 0 HG21 VAL A 64 15.821 -14.921 5.951 1.00 13.51 H new ATOM 0 HG22 VAL A 64 14.754 -16.345 5.895 1.00 13.51 H new ATOM 0 HG23 VAL A 64 14.488 -15.081 7.120 1.00 13.51 H new ATOM 931 N THR A 65 13.800 -18.278 6.772 1.00 20.14 N ATOM 932 CA THR A 65 13.240 -19.292 5.889 1.00 71.55 C ATOM 933 C THR A 65 13.980 -19.331 4.557 1.00 42.55 C ATOM 934 O THR A 65 14.792 -20.222 4.313 1.00 22.42 O ATOM 935 CB THR A 65 11.743 -19.043 5.624 1.00 1.40 C ATOM 936 OG1 THR A 65 11.012 -19.104 6.853 1.00 15.24 O ATOM 937 CG2 THR A 65 11.188 -20.067 4.646 1.00 20.21 C ATOM 0 H THR A 65 13.280 -17.401 6.790 1.00 20.14 H new ATOM 0 HA THR A 65 13.357 -20.250 6.395 1.00 71.55 H new ATOM 0 HB THR A 65 11.634 -18.051 5.186 1.00 1.40 H new ATOM 0 HG1 THR A 65 10.062 -18.943 6.677 1.00 15.24 H new ATOM 0 HG21 THR A 65 10.130 -19.870 4.475 1.00 20.21 H new ATOM 0 HG22 THR A 65 11.727 -19.997 3.701 1.00 20.21 H new ATOM 0 HG23 THR A 65 11.309 -21.068 5.060 1.00 20.21 H new ATOM 945 N GLU A 66 13.695 -18.356 3.698 1.00 72.51 N ATOM 946 CA GLU A 66 14.335 -18.280 2.390 1.00 72.20 C ATOM 947 C GLU A 66 14.306 -16.852 1.852 1.00 34.34 C ATOM 948 O GLU A 66 13.832 -15.934 2.523 1.00 55.04 O ATOM 949 CB GLU A 66 13.643 -19.223 1.403 1.00 14.40 C ATOM 950 CG GLU A 66 12.255 -18.761 0.991 1.00 11.55 C ATOM 951 CD GLU A 66 11.184 -19.791 1.291 1.00 31.34 C ATOM 952 OE1 GLU A 66 11.486 -21.001 1.217 1.00 2.45 O ATOM 953 OE2 GLU A 66 10.043 -19.388 1.600 1.00 1.25 O ATOM 0 H GLU A 66 13.026 -17.609 3.885 1.00 72.51 H new ATOM 0 HA GLU A 66 15.375 -18.586 2.505 1.00 72.20 H new ATOM 0 HB2 GLU A 66 14.263 -19.322 0.512 1.00 14.40 H new ATOM 0 HB3 GLU A 66 13.569 -20.214 1.851 1.00 14.40 H new ATOM 0 HG2 GLU A 66 12.016 -17.833 1.510 1.00 11.55 H new ATOM 0 HG3 GLU A 66 12.252 -18.539 -0.076 1.00 11.55 H new ATOM 960 N LEU A 67 14.816 -16.673 0.639 1.00 0.22 N ATOM 961 CA LEU A 67 14.850 -15.357 0.010 1.00 14.03 C ATOM 962 C LEU A 67 13.439 -14.861 -0.291 1.00 31.20 C ATOM 963 O LEU A 67 13.188 -13.657 -0.325 1.00 74.10 O ATOM 964 CB LEU A 67 15.671 -15.407 -1.279 1.00 61.12 C ATOM 965 CG LEU A 67 15.291 -16.503 -2.275 1.00 30.50 C ATOM 966 CD1 LEU A 67 14.343 -15.959 -3.332 1.00 33.20 C ATOM 967 CD2 LEU A 67 16.536 -17.090 -2.924 1.00 43.51 C ATOM 0 H LEU A 67 15.212 -17.422 0.071 1.00 0.22 H new ATOM 0 HA LEU A 67 15.319 -14.661 0.705 1.00 14.03 H new ATOM 0 HB2 LEU A 67 15.583 -14.443 -1.780 1.00 61.12 H new ATOM 0 HB3 LEU A 67 16.720 -15.534 -1.013 1.00 61.12 H new ATOM 0 HG LEU A 67 14.780 -17.298 -1.732 1.00 30.50 H new ATOM 0 HD11 LEU A 67 14.084 -16.753 -4.032 1.00 33.20 H new ATOM 0 HD12 LEU A 67 13.437 -15.588 -2.852 1.00 33.20 H new ATOM 0 HD13 LEU A 67 14.827 -15.145 -3.871 1.00 33.20 H new ATOM 0 HD21 LEU A 67 16.246 -17.868 -3.630 1.00 43.51 H new ATOM 0 HD22 LEU A 67 17.076 -16.304 -3.452 1.00 43.51 H new ATOM 0 HD23 LEU A 67 17.179 -17.519 -2.155 1.00 43.51 H new ATOM 979 N ALA A 68 12.522 -15.798 -0.507 1.00 35.31 N ATOM 980 CA ALA A 68 11.135 -15.457 -0.801 1.00 3.23 C ATOM 981 C ALA A 68 10.538 -14.590 0.302 1.00 12.33 C ATOM 982 O ALA A 68 9.730 -13.700 0.036 1.00 5.25 O ATOM 983 CB ALA A 68 10.309 -16.720 -0.987 1.00 74.45 C ATOM 0 H ALA A 68 12.714 -16.799 -0.484 1.00 35.31 H new ATOM 0 HA ALA A 68 11.116 -14.884 -1.728 1.00 3.23 H new ATOM 0 HB1 ALA A 68 9.276 -16.450 -1.206 1.00 74.45 H new ATOM 0 HB2 ALA A 68 10.715 -17.302 -1.814 1.00 74.45 H new ATOM 0 HB3 ALA A 68 10.343 -17.315 -0.074 1.00 74.45 H new ATOM 989 N ALA A 69 10.939 -14.856 1.541 1.00 44.02 N ATOM 990 CA ALA A 69 10.444 -14.099 2.684 1.00 44.12 C ATOM 991 C ALA A 69 10.960 -12.664 2.657 1.00 25.21 C ATOM 992 O ALA A 69 10.262 -11.735 3.062 1.00 11.14 O ATOM 993 CB ALA A 69 10.845 -14.782 3.983 1.00 42.01 C ATOM 0 H ALA A 69 11.606 -15.591 1.779 1.00 44.02 H new ATOM 0 HA ALA A 69 9.356 -14.067 2.624 1.00 44.12 H new ATOM 0 HB1 ALA A 69 10.469 -14.206 4.828 1.00 42.01 H new ATOM 0 HB2 ALA A 69 10.422 -15.786 4.012 1.00 42.01 H new ATOM 0 HB3 ALA A 69 11.932 -14.844 4.041 1.00 42.01 H new ATOM 999 N PHE A 70 12.188 -12.491 2.178 1.00 11.32 N ATOM 1000 CA PHE A 70 12.798 -11.169 2.100 1.00 3.34 C ATOM 1001 C PHE A 70 12.092 -10.304 1.061 1.00 51.34 C ATOM 1002 O PHE A 70 11.862 -9.115 1.279 1.00 32.24 O ATOM 1003 CB PHE A 70 14.284 -11.289 1.756 1.00 62.24 C ATOM 1004 CG PHE A 70 14.943 -9.969 1.473 1.00 71.31 C ATOM 1005 CD1 PHE A 70 14.936 -8.959 2.422 1.00 62.44 C ATOM 1006 CD2 PHE A 70 15.569 -9.739 0.259 1.00 43.43 C ATOM 1007 CE1 PHE A 70 15.541 -7.744 2.163 1.00 10.25 C ATOM 1008 CE2 PHE A 70 16.176 -8.525 -0.005 1.00 22.01 C ATOM 1009 CZ PHE A 70 16.163 -7.527 0.949 1.00 12.33 C ATOM 0 H PHE A 70 12.780 -13.249 1.838 1.00 11.32 H new ATOM 0 HA PHE A 70 12.695 -10.691 3.074 1.00 3.34 H new ATOM 0 HB2 PHE A 70 14.802 -11.775 2.583 1.00 62.24 H new ATOM 0 HB3 PHE A 70 14.396 -11.936 0.886 1.00 62.24 H new ATOM 0 HD1 PHE A 70 14.453 -9.123 3.374 1.00 62.44 H new ATOM 0 HD2 PHE A 70 15.583 -10.517 -0.490 1.00 43.43 H new ATOM 0 HE1 PHE A 70 15.528 -6.964 2.910 1.00 10.25 H new ATOM 0 HE2 PHE A 70 16.660 -8.358 -0.956 1.00 22.01 H new ATOM 0 HZ PHE A 70 16.638 -6.579 0.746 1.00 12.33 H new ATOM 1019 N ASN A 71 11.751 -10.910 -0.072 1.00 21.11 N ATOM 1020 CA ASN A 71 11.072 -10.196 -1.147 1.00 0.11 C ATOM 1021 C ASN A 71 9.735 -9.637 -0.669 1.00 4.30 C ATOM 1022 O ASN A 71 9.343 -8.530 -1.042 1.00 30.52 O ATOM 1023 CB ASN A 71 10.851 -11.123 -2.343 1.00 71.55 C ATOM 1024 CG ASN A 71 11.123 -10.435 -3.667 1.00 11.21 C ATOM 1025 OD1 ASN A 71 10.424 -9.494 -4.045 1.00 61.52 O ATOM 1026 ND2 ASN A 71 12.143 -10.902 -4.378 1.00 13.40 N ATOM 0 H ASN A 71 11.934 -11.894 -0.269 1.00 21.11 H new ATOM 0 HA ASN A 71 11.705 -9.363 -1.453 1.00 0.11 H new ATOM 0 HB2 ASN A 71 11.500 -11.994 -2.249 1.00 71.55 H new ATOM 0 HB3 ASN A 71 9.824 -11.488 -2.331 1.00 71.55 H new ATOM 0 HD21 ASN A 71 12.374 -10.479 -5.277 1.00 13.40 H new ATOM 0 HD22 ASN A 71 12.695 -11.684 -4.025 1.00 13.40 H new ATOM 1033 N THR A 72 9.039 -10.409 0.160 1.00 43.31 N ATOM 1034 CA THR A 72 7.747 -9.992 0.689 1.00 51.31 C ATOM 1035 C THR A 72 7.908 -8.882 1.721 1.00 14.23 C ATOM 1036 O THR A 72 7.117 -7.939 1.762 1.00 43.31 O ATOM 1037 CB THR A 72 6.996 -11.172 1.334 1.00 64.34 C ATOM 1038 OG1 THR A 72 7.678 -11.597 2.519 1.00 14.14 O ATOM 1039 CG2 THR A 72 6.884 -12.338 0.362 1.00 3.42 C ATOM 0 H THR A 72 9.349 -11.327 0.479 1.00 43.31 H new ATOM 0 HA THR A 72 7.166 -9.619 -0.154 1.00 51.31 H new ATOM 0 HB THR A 72 5.992 -10.837 1.593 1.00 64.34 H new ATOM 0 HG1 THR A 72 8.630 -11.723 2.321 1.00 14.14 H new ATOM 0 HG21 THR A 72 6.350 -13.160 0.839 1.00 3.42 H new ATOM 0 HG22 THR A 72 6.340 -12.020 -0.527 1.00 3.42 H new ATOM 0 HG23 THR A 72 7.882 -12.671 0.077 1.00 3.42 H new ATOM 1047 N VAL A 73 8.936 -8.999 2.555 1.00 65.52 N ATOM 1048 CA VAL A 73 9.202 -8.004 3.587 1.00 70.42 C ATOM 1049 C VAL A 73 9.558 -6.656 2.971 1.00 15.34 C ATOM 1050 O VAL A 73 9.004 -5.623 3.350 1.00 71.24 O ATOM 1051 CB VAL A 73 10.347 -8.451 4.515 1.00 1.43 C ATOM 1052 CG1 VAL A 73 10.637 -7.381 5.557 1.00 23.23 C ATOM 1053 CG2 VAL A 73 10.008 -9.776 5.180 1.00 72.20 C ATOM 0 H VAL A 73 9.599 -9.774 2.536 1.00 65.52 H new ATOM 0 HA VAL A 73 8.288 -7.902 4.173 1.00 70.42 H new ATOM 0 HB VAL A 73 11.245 -8.593 3.914 1.00 1.43 H new ATOM 0 HG11 VAL A 73 11.449 -7.714 6.204 1.00 23.23 H new ATOM 0 HG12 VAL A 73 10.927 -6.456 5.058 1.00 23.23 H new ATOM 0 HG13 VAL A 73 9.744 -7.205 6.157 1.00 23.23 H new ATOM 0 HG21 VAL A 73 10.828 -10.076 5.832 1.00 72.20 H new ATOM 0 HG22 VAL A 73 9.098 -9.665 5.770 1.00 72.20 H new ATOM 0 HG23 VAL A 73 9.854 -10.538 4.416 1.00 72.20 H new ATOM 1063 N VAL A 74 10.485 -6.672 2.020 1.00 43.15 N ATOM 1064 CA VAL A 74 10.914 -5.450 1.349 1.00 24.14 C ATOM 1065 C VAL A 74 9.798 -4.877 0.484 1.00 12.32 C ATOM 1066 O VAL A 74 9.632 -3.661 0.393 1.00 40.34 O ATOM 1067 CB VAL A 74 12.154 -5.698 0.470 1.00 24.21 C ATOM 1068 CG1 VAL A 74 11.856 -6.746 -0.591 1.00 74.02 C ATOM 1069 CG2 VAL A 74 12.623 -4.399 -0.168 1.00 73.33 C ATOM 0 H VAL A 74 10.954 -7.518 1.696 1.00 43.15 H new ATOM 0 HA VAL A 74 11.169 -4.733 2.130 1.00 24.14 H new ATOM 0 HB VAL A 74 12.957 -6.076 1.103 1.00 24.21 H new ATOM 0 HG11 VAL A 74 12.744 -6.908 -1.202 1.00 74.02 H new ATOM 0 HG12 VAL A 74 11.572 -7.681 -0.109 1.00 74.02 H new ATOM 0 HG13 VAL A 74 11.038 -6.401 -1.224 1.00 74.02 H new ATOM 0 HG21 VAL A 74 13.500 -4.593 -0.786 1.00 73.33 H new ATOM 0 HG22 VAL A 74 11.826 -3.990 -0.788 1.00 73.33 H new ATOM 0 HG23 VAL A 74 12.880 -3.682 0.612 1.00 73.33 H new ATOM 1079 N ALA A 75 9.034 -5.761 -0.149 1.00 12.12 N ATOM 1080 CA ALA A 75 7.931 -5.343 -1.005 1.00 13.11 C ATOM 1081 C ALA A 75 6.781 -4.774 -0.180 1.00 73.44 C ATOM 1082 O ALA A 75 6.161 -3.782 -0.563 1.00 43.24 O ATOM 1083 CB ALA A 75 7.448 -6.511 -1.852 1.00 62.01 C ATOM 0 H ALA A 75 9.159 -6.771 -0.085 1.00 12.12 H new ATOM 0 HA ALA A 75 8.294 -4.556 -1.665 1.00 13.11 H new ATOM 0 HB1 ALA A 75 6.624 -6.184 -2.486 1.00 62.01 H new ATOM 0 HB2 ALA A 75 8.266 -6.871 -2.476 1.00 62.01 H new ATOM 0 HB3 ALA A 75 7.107 -7.316 -1.201 1.00 62.01 H new ATOM 1089 N ARG A 76 6.500 -5.410 0.952 1.00 21.24 N ATOM 1090 CA ARG A 76 5.423 -4.968 1.830 1.00 71.42 C ATOM 1091 C ARG A 76 5.764 -3.629 2.477 1.00 33.44 C ATOM 1092 O ARG A 76 4.994 -2.672 2.390 1.00 1.04 O ATOM 1093 CB ARG A 76 5.155 -6.017 2.911 1.00 0.44 C ATOM 1094 CG ARG A 76 4.122 -7.057 2.509 1.00 3.31 C ATOM 1095 CD ARG A 76 4.170 -7.341 1.016 1.00 43.11 C ATOM 1096 NE ARG A 76 3.453 -8.564 0.668 1.00 33.43 N ATOM 1097 CZ ARG A 76 3.412 -9.068 -0.560 1.00 74.50 C ATOM 1098 NH1 ARG A 76 4.044 -8.457 -1.552 1.00 71.54 N ATOM 1099 NH2 ARG A 76 2.737 -10.186 -0.798 1.00 23.34 N ATOM 0 H ARG A 76 7.003 -6.233 1.283 1.00 21.24 H new ATOM 0 HA ARG A 76 4.524 -4.841 1.226 1.00 71.42 H new ATOM 0 HB2 ARG A 76 6.090 -6.522 3.155 1.00 0.44 H new ATOM 0 HB3 ARG A 76 4.818 -5.514 3.817 1.00 0.44 H new ATOM 0 HG2 ARG A 76 4.299 -7.980 3.062 1.00 3.31 H new ATOM 0 HG3 ARG A 76 3.126 -6.707 2.782 1.00 3.31 H new ATOM 0 HD2 ARG A 76 3.738 -6.500 0.473 1.00 43.11 H new ATOM 0 HD3 ARG A 76 5.209 -7.426 0.697 1.00 43.11 H new ATOM 0 HE ARG A 76 2.956 -9.059 1.409 1.00 33.43 H new ATOM 0 HH11 ARG A 76 4.563 -7.598 -1.373 1.00 71.54 H new ATOM 0 HH12 ARG A 76 4.011 -8.846 -2.494 1.00 71.54 H new ATOM 0 HH21 ARG A 76 2.249 -10.659 -0.037 1.00 23.34 H new ATOM 0 HH22 ARG A 76 2.706 -10.572 -1.742 1.00 23.34 H new ATOM 1113 N HIS A 77 6.922 -3.570 3.127 1.00 12.13 N ATOM 1114 CA HIS A 77 7.365 -2.348 3.790 1.00 73.22 C ATOM 1115 C HIS A 77 8.076 -1.424 2.806 1.00 12.10 C ATOM 1116 O HIS A 77 9.271 -1.574 2.550 1.00 75.34 O ATOM 1117 CB HIS A 77 8.295 -2.684 4.956 1.00 50.11 C ATOM 1118 CG HIS A 77 7.878 -3.900 5.724 1.00 62.55 C ATOM 1119 ND1 HIS A 77 6.560 -4.211 5.984 1.00 23.12 N ATOM 1120 CD2 HIS A 77 8.614 -4.887 6.287 1.00 62.13 C ATOM 1121 CE1 HIS A 77 6.504 -5.335 6.676 1.00 74.11 C ATOM 1122 NE2 HIS A 77 7.737 -5.766 6.872 1.00 34.13 N ATOM 0 H HIS A 77 7.570 -4.353 3.209 1.00 12.13 H new ATOM 0 HA HIS A 77 6.485 -1.832 4.174 1.00 73.22 H new ATOM 0 HB2 HIS A 77 9.304 -2.835 4.573 1.00 50.11 H new ATOM 0 HB3 HIS A 77 8.336 -1.832 5.635 1.00 50.11 H new ATOM 0 HD2 HIS A 77 9.691 -4.968 6.278 1.00 62.13 H new ATOM 0 HE1 HIS A 77 5.603 -5.819 7.023 1.00 74.11 H new ATOM 0 HE2 HIS A 77 7.995 -6.614 7.376 1.00 34.13 H new ATOM 1130 N VAL A 78 7.333 -0.468 2.257 1.00 2.22 N ATOM 1131 CA VAL A 78 7.893 0.481 1.302 1.00 54.12 C ATOM 1132 C VAL A 78 7.811 1.908 1.833 1.00 61.14 C ATOM 1133 O VAL A 78 7.152 2.764 1.242 1.00 45.11 O ATOM 1134 CB VAL A 78 7.165 0.407 -0.054 1.00 5.00 C ATOM 1135 CG1 VAL A 78 7.889 1.248 -1.095 1.00 13.34 C ATOM 1136 CG2 VAL A 78 7.044 -1.038 -0.515 1.00 2.42 C ATOM 0 H VAL A 78 6.342 -0.330 2.457 1.00 2.22 H new ATOM 0 HA VAL A 78 8.939 0.209 1.161 1.00 54.12 H new ATOM 0 HB VAL A 78 6.160 0.811 0.070 1.00 5.00 H new ATOM 0 HG11 VAL A 78 7.361 1.184 -2.046 1.00 13.34 H new ATOM 0 HG12 VAL A 78 7.920 2.287 -0.766 1.00 13.34 H new ATOM 0 HG13 VAL A 78 8.906 0.877 -1.219 1.00 13.34 H new ATOM 0 HG21 VAL A 78 6.527 -1.072 -1.474 1.00 2.42 H new ATOM 0 HG22 VAL A 78 8.039 -1.470 -0.623 1.00 2.42 H new ATOM 0 HG23 VAL A 78 6.479 -1.609 0.222 1.00 2.42 H new ATOM 1146 N ARG A 79 8.485 2.157 2.951 1.00 62.15 N ATOM 1147 CA ARG A 79 8.489 3.480 3.562 1.00 54.51 C ATOM 1148 C ARG A 79 9.808 4.199 3.294 1.00 13.43 C ATOM 1149 O ARG A 79 10.858 3.580 3.128 1.00 23.53 O ATOM 1150 CB ARG A 79 8.252 3.370 5.069 1.00 23.02 C ATOM 1151 CG ARG A 79 6.875 3.841 5.506 1.00 73.11 C ATOM 1152 CD ARG A 79 5.922 2.672 5.702 1.00 64.44 C ATOM 1153 NE ARG A 79 4.714 3.064 6.421 1.00 11.54 N ATOM 1154 CZ ARG A 79 4.691 3.351 7.718 1.00 5.42 C ATOM 1155 NH1 ARG A 79 5.806 3.290 8.434 1.00 61.15 N ATOM 1156 NH2 ARG A 79 3.552 3.701 8.302 1.00 43.20 N ATOM 0 H ARG A 79 9.035 1.459 3.452 1.00 62.15 H new ATOM 0 HA ARG A 79 7.682 4.061 3.116 1.00 54.51 H new ATOM 0 HB2 ARG A 79 8.385 2.332 5.374 1.00 23.02 H new ATOM 0 HB3 ARG A 79 9.009 3.955 5.591 1.00 23.02 H new ATOM 0 HG2 ARG A 79 6.960 4.403 6.436 1.00 73.11 H new ATOM 0 HG3 ARG A 79 6.468 4.522 4.759 1.00 73.11 H new ATOM 0 HD2 ARG A 79 5.648 2.261 4.730 1.00 64.44 H new ATOM 0 HD3 ARG A 79 6.429 1.879 6.252 1.00 64.44 H new ATOM 0 HE ARG A 79 3.839 3.121 5.899 1.00 11.54 H new ATOM 0 HH11 ARG A 79 6.684 3.022 7.989 1.00 61.15 H new ATOM 0 HH12 ARG A 79 5.785 3.511 9.430 1.00 61.15 H new ATOM 0 HH21 ARG A 79 2.692 3.750 7.755 1.00 43.20 H new ATOM 0 HH22 ARG A 79 3.536 3.921 9.298 1.00 43.20 H new ATOM 1170 N PRO A 80 9.754 5.539 3.251 1.00 75.13 N ATOM 1171 CA PRO A 80 10.935 6.371 3.004 1.00 54.33 C ATOM 1172 C PRO A 80 11.913 6.351 4.173 1.00 11.22 C ATOM 1173 O PRO A 80 13.026 6.866 4.072 1.00 25.02 O ATOM 1174 CB PRO A 80 10.348 7.773 2.821 1.00 45.51 C ATOM 1175 CG PRO A 80 9.061 7.747 3.571 1.00 64.34 C ATOM 1176 CD PRO A 80 8.535 6.344 3.440 1.00 42.11 C ATOM 0 HA PRO A 80 11.510 6.019 2.147 1.00 54.33 H new ATOM 0 HB2 PRO A 80 11.019 8.537 3.213 1.00 45.51 H new ATOM 0 HB3 PRO A 80 10.187 8.000 1.767 1.00 45.51 H new ATOM 0 HG2 PRO A 80 9.214 8.011 4.618 1.00 64.34 H new ATOM 0 HG3 PRO A 80 8.355 8.469 3.160 1.00 64.34 H new ATOM 0 HD2 PRO A 80 7.984 6.037 4.329 1.00 42.11 H new ATOM 0 HD3 PRO A 80 7.854 6.247 2.594 1.00 42.11 H new ATOM 1184 N SER A 81 11.490 5.753 5.282 1.00 0.13 N ATOM 1185 CA SER A 81 12.328 5.669 6.473 1.00 62.14 C ATOM 1186 C SER A 81 11.590 4.967 7.608 1.00 21.23 C ATOM 1187 O SER A 81 10.904 5.605 8.405 1.00 13.44 O ATOM 1188 CB SER A 81 12.760 7.067 6.918 1.00 44.43 C ATOM 1189 OG SER A 81 13.208 7.059 8.262 1.00 11.03 O ATOM 0 H SER A 81 10.572 5.319 5.381 1.00 0.13 H new ATOM 0 HA SER A 81 13.214 5.085 6.223 1.00 62.14 H new ATOM 0 HB2 SER A 81 13.557 7.429 6.268 1.00 44.43 H new ATOM 0 HB3 SER A 81 11.925 7.759 6.814 1.00 44.43 H new ATOM 0 HG SER A 81 13.480 7.964 8.522 1.00 11.03 H new ATOM 1195 N ALA A 82 11.737 3.648 7.675 1.00 70.44 N ATOM 1196 CA ALA A 82 11.087 2.858 8.713 1.00 73.22 C ATOM 1197 C ALA A 82 12.104 2.028 9.489 1.00 14.23 C ATOM 1198 O ALA A 82 12.835 1.225 8.911 1.00 60.32 O ATOM 1199 CB ALA A 82 10.023 1.957 8.102 1.00 24.33 C ATOM 0 H ALA A 82 12.301 3.104 7.022 1.00 70.44 H new ATOM 0 HA ALA A 82 10.609 3.544 9.412 1.00 73.22 H new ATOM 0 HB1 ALA A 82 9.546 1.373 8.889 1.00 24.33 H new ATOM 0 HB2 ALA A 82 9.274 2.568 7.599 1.00 24.33 H new ATOM 0 HB3 ALA A 82 10.487 1.284 7.381 1.00 24.33 H new ATOM 1205 N SER A 83 12.145 2.229 10.803 1.00 72.33 N ATOM 1206 CA SER A 83 13.076 1.502 11.658 1.00 13.01 C ATOM 1207 C SER A 83 12.542 0.110 11.982 1.00 1.04 C ATOM 1208 O SER A 83 11.565 -0.036 12.718 1.00 62.23 O ATOM 1209 CB SER A 83 13.325 2.279 12.952 1.00 3.20 C ATOM 1210 OG SER A 83 14.326 3.265 12.770 1.00 45.33 O ATOM 0 H SER A 83 11.545 2.889 11.298 1.00 72.33 H new ATOM 0 HA SER A 83 14.018 1.395 11.120 1.00 13.01 H new ATOM 0 HB2 SER A 83 12.399 2.752 13.280 1.00 3.20 H new ATOM 0 HB3 SER A 83 13.628 1.590 13.741 1.00 3.20 H new ATOM 0 HG SER A 83 14.465 3.749 13.611 1.00 45.33 H new ATOM 1216 N ILE A 84 13.190 -0.909 11.429 1.00 64.04 N ATOM 1217 CA ILE A 84 12.783 -2.289 11.659 1.00 35.22 C ATOM 1218 C ILE A 84 13.896 -3.087 12.330 1.00 51.24 C ATOM 1219 O ILE A 84 15.057 -3.041 11.924 1.00 63.04 O ATOM 1220 CB ILE A 84 12.387 -2.987 10.344 1.00 1.41 C ATOM 1221 CG1 ILE A 84 11.280 -2.201 9.638 1.00 70.41 C ATOM 1222 CG2 ILE A 84 11.940 -4.415 10.616 1.00 60.21 C ATOM 1223 CD1 ILE A 84 10.920 -2.756 8.277 1.00 13.34 C ATOM 0 H ILE A 84 14.000 -0.805 10.818 1.00 64.04 H new ATOM 0 HA ILE A 84 11.916 -2.255 12.318 1.00 35.22 H new ATOM 0 HB ILE A 84 13.258 -3.019 9.690 1.00 1.41 H new ATOM 0 HG12 ILE A 84 10.390 -2.197 10.267 1.00 70.41 H new ATOM 0 HG13 ILE A 84 11.596 -1.164 9.527 1.00 70.41 H new ATOM 0 HG21 ILE A 84 11.663 -4.895 9.677 1.00 60.21 H new ATOM 0 HG22 ILE A 84 12.756 -4.969 11.080 1.00 60.21 H new ATOM 0 HG23 ILE A 84 11.080 -4.406 11.286 1.00 60.21 H new ATOM 0 HD11 ILE A 84 10.129 -2.150 7.835 1.00 13.34 H new ATOM 0 HD12 ILE A 84 11.798 -2.734 7.631 1.00 13.34 H new ATOM 0 HD13 ILE A 84 10.573 -3.784 8.383 1.00 13.34 H new ATOM 1235 N PRO A 85 13.535 -3.838 13.381 1.00 43.13 N ATOM 1236 CA PRO A 85 14.489 -4.663 14.129 1.00 51.52 C ATOM 1237 C PRO A 85 14.982 -5.857 13.320 1.00 74.34 C ATOM 1238 O PRO A 85 14.235 -6.805 13.076 1.00 20.41 O ATOM 1239 CB PRO A 85 13.678 -5.134 15.338 1.00 13.24 C ATOM 1240 CG PRO A 85 12.260 -5.091 14.884 1.00 52.14 C ATOM 1241 CD PRO A 85 12.169 -3.940 13.920 1.00 73.44 C ATOM 0 HA PRO A 85 15.389 -4.108 14.392 1.00 51.52 H new ATOM 0 HB2 PRO A 85 13.966 -6.141 15.640 1.00 13.24 H new ATOM 0 HB3 PRO A 85 13.838 -4.485 16.199 1.00 13.24 H new ATOM 0 HG2 PRO A 85 11.976 -6.027 14.403 1.00 52.14 H new ATOM 0 HG3 PRO A 85 11.584 -4.948 15.727 1.00 52.14 H new ATOM 0 HD2 PRO A 85 11.440 -4.132 13.133 1.00 73.44 H new ATOM 0 HD3 PRO A 85 11.864 -3.020 14.420 1.00 73.44 H new ATOM 1249 N VAL A 86 16.244 -5.806 12.905 1.00 13.23 N ATOM 1250 CA VAL A 86 16.837 -6.885 12.125 1.00 53.14 C ATOM 1251 C VAL A 86 18.113 -7.401 12.780 1.00 14.25 C ATOM 1252 O VAL A 86 19.050 -6.640 13.023 1.00 31.54 O ATOM 1253 CB VAL A 86 17.159 -6.428 10.689 1.00 10.24 C ATOM 1254 CG1 VAL A 86 17.871 -7.533 9.924 1.00 2.32 C ATOM 1255 CG2 VAL A 86 15.889 -6.002 9.969 1.00 51.04 C ATOM 0 H VAL A 86 16.875 -5.028 13.096 1.00 13.23 H new ATOM 0 HA VAL A 86 16.102 -7.689 12.087 1.00 53.14 H new ATOM 0 HB VAL A 86 17.826 -5.567 10.741 1.00 10.24 H new ATOM 0 HG11 VAL A 86 18.090 -7.192 8.912 1.00 2.32 H new ATOM 0 HG12 VAL A 86 18.802 -7.785 10.432 1.00 2.32 H new ATOM 0 HG13 VAL A 86 17.232 -8.415 9.879 1.00 2.32 H new ATOM 0 HG21 VAL A 86 16.135 -5.682 8.956 1.00 51.04 H new ATOM 0 HG22 VAL A 86 15.196 -6.842 9.926 1.00 51.04 H new ATOM 0 HG23 VAL A 86 15.425 -5.176 10.508 1.00 51.04 H new ATOM 1265 N VAL A 87 18.142 -8.699 13.065 1.00 41.11 N ATOM 1266 CA VAL A 87 19.304 -9.318 13.692 1.00 71.15 C ATOM 1267 C VAL A 87 20.296 -9.811 12.644 1.00 31.11 C ATOM 1268 O VAL A 87 19.968 -10.659 11.813 1.00 1.43 O ATOM 1269 CB VAL A 87 18.894 -10.500 14.590 1.00 12.45 C ATOM 1270 CG1 VAL A 87 20.085 -10.998 15.394 1.00 2.12 C ATOM 1271 CG2 VAL A 87 17.751 -10.097 15.510 1.00 73.21 C ATOM 0 H VAL A 87 17.374 -9.342 12.872 1.00 41.11 H new ATOM 0 HA VAL A 87 19.778 -8.552 14.306 1.00 71.15 H new ATOM 0 HB VAL A 87 18.549 -11.315 13.954 1.00 12.45 H new ATOM 0 HG11 VAL A 87 19.776 -11.833 16.023 1.00 2.12 H new ATOM 0 HG12 VAL A 87 20.871 -11.327 14.714 1.00 2.12 H new ATOM 0 HG13 VAL A 87 20.463 -10.191 16.022 1.00 2.12 H new ATOM 0 HG21 VAL A 87 17.473 -10.944 16.138 1.00 73.21 H new ATOM 0 HG22 VAL A 87 18.067 -9.266 16.141 1.00 73.21 H new ATOM 0 HG23 VAL A 87 16.892 -9.792 14.912 1.00 73.21 H new ATOM 1281 N PHE A 88 21.511 -9.275 12.689 1.00 20.03 N ATOM 1282 CA PHE A 88 22.552 -9.660 11.744 1.00 42.04 C ATOM 1283 C PHE A 88 23.621 -10.508 12.427 1.00 73.53 C ATOM 1284 O PHE A 88 23.975 -10.269 13.581 1.00 41.41 O ATOM 1285 CB PHE A 88 23.192 -8.416 11.123 1.00 61.41 C ATOM 1286 CG PHE A 88 24.689 -8.391 11.239 1.00 23.15 C ATOM 1287 CD1 PHE A 88 25.478 -9.122 10.366 1.00 72.34 C ATOM 1288 CD2 PHE A 88 25.308 -7.636 12.222 1.00 3.14 C ATOM 1289 CE1 PHE A 88 26.856 -9.101 10.471 1.00 33.33 C ATOM 1290 CE2 PHE A 88 26.686 -7.611 12.333 1.00 51.33 C ATOM 1291 CZ PHE A 88 27.460 -8.344 11.455 1.00 5.42 C ATOM 0 H PHE A 88 21.799 -8.572 13.370 1.00 20.03 H new ATOM 0 HA PHE A 88 22.090 -10.255 10.956 1.00 42.04 H new ATOM 0 HB2 PHE A 88 22.916 -8.363 10.070 1.00 61.41 H new ATOM 0 HB3 PHE A 88 22.783 -7.528 11.605 1.00 61.41 H new ATOM 0 HD1 PHE A 88 25.011 -9.715 9.594 1.00 72.34 H new ATOM 0 HD2 PHE A 88 24.707 -7.060 12.910 1.00 3.14 H new ATOM 0 HE1 PHE A 88 27.459 -9.676 9.784 1.00 33.33 H new ATOM 0 HE2 PHE A 88 27.156 -7.019 13.105 1.00 51.33 H new ATOM 0 HZ PHE A 88 28.537 -8.325 11.538 1.00 5.42 H new ATOM 1301 N SER A 89 24.130 -11.502 11.705 1.00 13.11 N ATOM 1302 CA SER A 89 25.154 -12.390 12.242 1.00 45.41 C ATOM 1303 C SER A 89 26.375 -12.427 11.327 1.00 55.03 C ATOM 1304 O SER A 89 26.254 -12.304 10.108 1.00 53.13 O ATOM 1305 CB SER A 89 24.593 -13.802 12.421 1.00 45.43 C ATOM 1306 OG SER A 89 24.098 -13.991 13.735 1.00 64.11 O ATOM 0 H SER A 89 23.850 -11.712 10.747 1.00 13.11 H new ATOM 0 HA SER A 89 25.461 -12.004 13.214 1.00 45.41 H new ATOM 0 HB2 SER A 89 23.794 -13.973 11.700 1.00 45.43 H new ATOM 0 HB3 SER A 89 25.372 -14.535 12.214 1.00 45.43 H new ATOM 0 HG SER A 89 24.767 -13.687 14.383 1.00 64.11 H new ATOM 1312 N ARG A 90 27.549 -12.598 11.924 1.00 44.31 N ATOM 1313 CA ARG A 90 28.792 -12.650 11.164 1.00 64.21 C ATOM 1314 C ARG A 90 29.577 -13.917 11.492 1.00 71.35 C ATOM 1315 O ARG A 90 30.611 -13.864 12.158 1.00 33.41 O ATOM 1316 CB ARG A 90 29.648 -11.417 11.459 1.00 21.02 C ATOM 1317 CG ARG A 90 30.612 -11.062 10.339 1.00 51.02 C ATOM 1318 CD ARG A 90 30.946 -9.578 10.340 1.00 32.44 C ATOM 1319 NE ARG A 90 31.735 -9.196 11.508 1.00 31.24 N ATOM 1320 CZ ARG A 90 33.041 -9.413 11.616 1.00 70.41 C ATOM 1321 NH1 ARG A 90 33.701 -10.007 10.631 1.00 41.41 N ATOM 1322 NH2 ARG A 90 33.690 -9.037 12.711 1.00 55.45 N ATOM 0 H ARG A 90 27.666 -12.703 12.932 1.00 44.31 H new ATOM 0 HA ARG A 90 28.539 -12.663 10.104 1.00 64.21 H new ATOM 0 HB2 ARG A 90 28.992 -10.566 11.646 1.00 21.02 H new ATOM 0 HB3 ARG A 90 30.215 -11.589 12.374 1.00 21.02 H new ATOM 0 HG2 ARG A 90 31.528 -11.642 10.449 1.00 51.02 H new ATOM 0 HG3 ARG A 90 30.174 -11.337 9.380 1.00 51.02 H new ATOM 0 HD2 ARG A 90 31.497 -9.330 9.433 1.00 32.44 H new ATOM 0 HD3 ARG A 90 30.023 -8.999 10.321 1.00 32.44 H new ATOM 0 HE ARG A 90 31.257 -8.737 12.284 1.00 31.24 H new ATOM 0 HH11 ARG A 90 33.206 -10.298 9.788 1.00 41.41 H new ATOM 0 HH12 ARG A 90 34.704 -10.173 10.716 1.00 41.41 H new ATOM 0 HH21 ARG A 90 33.186 -8.581 13.471 1.00 55.45 H new ATOM 0 HH22 ARG A 90 34.693 -9.204 12.792 1.00 55.45 H new ATOM 1336 N ASP A 91 29.078 -15.054 11.019 1.00 22.32 N ATOM 1337 CA ASP A 91 29.732 -16.335 11.261 1.00 23.12 C ATOM 1338 C ASP A 91 29.751 -16.663 12.751 1.00 54.10 C ATOM 1339 O ASP A 91 30.796 -16.987 13.313 1.00 71.53 O ATOM 1340 CB ASP A 91 31.160 -16.314 10.713 1.00 21.43 C ATOM 1341 CG ASP A 91 31.292 -15.454 9.472 1.00 15.43 C ATOM 1342 OD1 ASP A 91 30.673 -15.797 8.443 1.00 32.21 O ATOM 1343 OD2 ASP A 91 32.012 -14.436 9.530 1.00 4.34 O ATOM 0 H ASP A 91 28.223 -15.115 10.466 1.00 22.32 H new ATOM 0 HA ASP A 91 29.164 -17.108 10.744 1.00 23.12 H new ATOM 0 HB2 ASP A 91 31.836 -15.942 11.483 1.00 21.43 H new ATOM 0 HB3 ASP A 91 31.472 -17.332 10.480 1.00 21.43 H new ATOM 1348 N GLY A 92 28.586 -16.575 13.386 1.00 54.52 N ATOM 1349 CA GLY A 92 28.490 -16.863 14.805 1.00 62.52 C ATOM 1350 C GLY A 92 28.442 -15.606 15.650 1.00 22.45 C ATOM 1351 O GLY A 92 28.101 -15.657 16.832 1.00 22.13 O ATOM 0 H GLY A 92 27.707 -16.309 12.943 1.00 54.52 H new ATOM 0 HA2 GLY A 92 27.596 -17.457 14.992 1.00 62.52 H new ATOM 0 HA3 GLY A 92 29.344 -17.468 15.108 1.00 62.52 H new ATOM 1355 N VAL A 93 28.786 -14.474 15.045 1.00 23.10 N ATOM 1356 CA VAL A 93 28.782 -13.198 15.750 1.00 34.13 C ATOM 1357 C VAL A 93 27.358 -12.711 15.996 1.00 71.12 C ATOM 1358 O VAL A 93 26.483 -12.862 15.143 1.00 11.21 O ATOM 1359 CB VAL A 93 29.553 -12.120 14.966 1.00 70.33 C ATOM 1360 CG1 VAL A 93 29.513 -10.791 15.704 1.00 51.11 C ATOM 1361 CG2 VAL A 93 30.988 -12.562 14.725 1.00 64.55 C ATOM 0 H VAL A 93 29.071 -14.415 14.067 1.00 23.10 H new ATOM 0 HA VAL A 93 29.277 -13.364 16.707 1.00 34.13 H new ATOM 0 HB VAL A 93 29.071 -11.985 13.998 1.00 70.33 H new ATOM 0 HG11 VAL A 93 30.063 -10.042 15.135 1.00 51.11 H new ATOM 0 HG12 VAL A 93 28.478 -10.470 15.820 1.00 51.11 H new ATOM 0 HG13 VAL A 93 29.969 -10.907 16.687 1.00 51.11 H new ATOM 0 HG21 VAL A 93 31.519 -11.789 14.170 1.00 64.55 H new ATOM 0 HG22 VAL A 93 31.484 -12.726 15.682 1.00 64.55 H new ATOM 0 HG23 VAL A 93 30.992 -13.488 14.150 1.00 64.55 H new ATOM 1371 N VAL A 94 27.132 -12.125 17.168 1.00 64.53 N ATOM 1372 CA VAL A 94 25.815 -11.614 17.526 1.00 72.12 C ATOM 1373 C VAL A 94 25.829 -10.094 17.645 1.00 71.31 C ATOM 1374 O VAL A 94 26.470 -9.538 18.536 1.00 55.50 O ATOM 1375 CB VAL A 94 25.320 -12.218 18.854 1.00 45.41 C ATOM 1376 CG1 VAL A 94 24.099 -11.465 19.361 1.00 64.54 C ATOM 1377 CG2 VAL A 94 25.013 -13.698 18.684 1.00 13.32 C ATOM 0 H VAL A 94 27.845 -11.993 17.886 1.00 64.53 H new ATOM 0 HA VAL A 94 25.134 -11.907 16.727 1.00 72.12 H new ATOM 0 HB VAL A 94 26.112 -12.118 19.596 1.00 45.41 H new ATOM 0 HG11 VAL A 94 23.764 -11.906 20.300 1.00 64.54 H new ATOM 0 HG12 VAL A 94 24.358 -10.419 19.524 1.00 64.54 H new ATOM 0 HG13 VAL A 94 23.299 -11.530 18.623 1.00 64.54 H new ATOM 0 HG21 VAL A 94 24.665 -14.109 19.632 1.00 13.32 H new ATOM 0 HG22 VAL A 94 24.239 -13.824 17.927 1.00 13.32 H new ATOM 0 HG23 VAL A 94 25.915 -14.223 18.371 1.00 13.32 H new ATOM 1387 N MET A 95 25.117 -9.429 16.741 1.00 45.21 N ATOM 1388 CA MET A 95 25.047 -7.972 16.746 1.00 72.20 C ATOM 1389 C MET A 95 23.660 -7.494 16.328 1.00 40.20 C ATOM 1390 O MET A 95 22.960 -8.172 15.576 1.00 12.41 O ATOM 1391 CB MET A 95 26.105 -7.386 15.810 1.00 41.33 C ATOM 1392 CG MET A 95 26.149 -5.866 15.818 1.00 73.33 C ATOM 1393 SD MET A 95 26.573 -5.192 17.435 1.00 21.23 S ATOM 1394 CE MET A 95 28.344 -5.462 17.460 1.00 13.44 C ATOM 0 H MET A 95 24.581 -9.875 15.997 1.00 45.21 H new ATOM 0 HA MET A 95 25.240 -7.627 17.762 1.00 72.20 H new ATOM 0 HB2 MET A 95 27.084 -7.771 16.095 1.00 41.33 H new ATOM 0 HB3 MET A 95 25.911 -7.730 14.794 1.00 41.33 H new ATOM 0 HG2 MET A 95 26.878 -5.524 15.084 1.00 73.33 H new ATOM 0 HG3 MET A 95 25.179 -5.477 15.509 1.00 73.33 H new ATOM 0 HE1 MET A 95 28.624 -5.954 18.391 1.00 13.44 H new ATOM 0 HE2 MET A 95 28.628 -6.092 16.617 1.00 13.44 H new ATOM 0 HE3 MET A 95 28.859 -4.504 17.387 1.00 13.44 H new ATOM 1404 N SER A 96 23.270 -6.323 16.820 1.00 14.45 N ATOM 1405 CA SER A 96 21.965 -5.756 16.501 1.00 15.20 C ATOM 1406 C SER A 96 22.108 -4.542 15.588 1.00 61.12 C ATOM 1407 O SER A 96 22.908 -3.645 15.851 1.00 43.02 O ATOM 1408 CB SER A 96 21.229 -5.360 17.783 1.00 44.51 C ATOM 1409 OG SER A 96 21.528 -4.024 18.150 1.00 51.32 O ATOM 0 H SER A 96 23.839 -5.748 17.441 1.00 14.45 H new ATOM 0 HA SER A 96 21.385 -6.516 15.978 1.00 15.20 H new ATOM 0 HB2 SER A 96 20.154 -5.469 17.638 1.00 44.51 H new ATOM 0 HB3 SER A 96 21.511 -6.035 18.591 1.00 44.51 H new ATOM 0 HG SER A 96 21.045 -3.794 18.971 1.00 51.32 H new ATOM 1415 N ALA A 97 21.326 -4.522 14.513 1.00 25.41 N ATOM 1416 CA ALA A 97 21.364 -3.419 13.561 1.00 22.23 C ATOM 1417 C ALA A 97 19.964 -3.075 13.064 1.00 2.45 C ATOM 1418 O ALA A 97 19.149 -3.961 12.807 1.00 20.35 O ATOM 1419 CB ALA A 97 22.272 -3.764 12.390 1.00 41.51 C ATOM 0 H ALA A 97 20.659 -5.257 14.280 1.00 25.41 H new ATOM 0 HA ALA A 97 21.765 -2.544 14.072 1.00 22.23 H new ATOM 0 HB1 ALA A 97 22.291 -2.931 11.687 1.00 41.51 H new ATOM 0 HB2 ALA A 97 23.281 -3.953 12.756 1.00 41.51 H new ATOM 0 HB3 ALA A 97 21.895 -4.655 11.887 1.00 41.51 H new ATOM 1425 N THR A 98 19.690 -1.781 12.932 1.00 41.54 N ATOM 1426 CA THR A 98 18.388 -1.319 12.468 1.00 50.25 C ATOM 1427 C THR A 98 18.449 -0.877 11.010 1.00 73.43 C ATOM 1428 O THR A 98 19.236 -0.002 10.649 1.00 13.30 O ATOM 1429 CB THR A 98 17.868 -0.149 13.325 1.00 63.41 C ATOM 1430 OG1 THR A 98 17.733 -0.564 14.689 1.00 73.33 O ATOM 1431 CG2 THR A 98 16.528 0.349 12.805 1.00 20.44 C ATOM 0 H THR A 98 20.353 -1.034 13.140 1.00 41.54 H new ATOM 0 HA THR A 98 17.703 -2.161 12.562 1.00 50.25 H new ATOM 0 HB THR A 98 18.589 0.667 13.264 1.00 63.41 H new ATOM 0 HG1 THR A 98 17.404 0.185 15.228 1.00 73.33 H new ATOM 0 HG21 THR A 98 16.181 1.175 13.426 1.00 20.44 H new ATOM 0 HG22 THR A 98 16.641 0.691 11.776 1.00 20.44 H new ATOM 0 HG23 THR A 98 15.800 -0.462 12.840 1.00 20.44 H new ATOM 1439 N ILE A 99 17.613 -1.488 10.176 1.00 23.03 N ATOM 1440 CA ILE A 99 17.572 -1.156 8.758 1.00 55.24 C ATOM 1441 C ILE A 99 16.549 -0.059 8.480 1.00 44.32 C ATOM 1442 O ILE A 99 15.383 -0.172 8.856 1.00 32.41 O ATOM 1443 CB ILE A 99 17.230 -2.389 7.900 1.00 2.14 C ATOM 1444 CG1 ILE A 99 15.854 -2.937 8.282 1.00 74.11 C ATOM 1445 CG2 ILE A 99 18.297 -3.460 8.065 1.00 25.55 C ATOM 1446 CD1 ILE A 99 14.758 -2.544 7.316 1.00 71.20 C ATOM 0 H ILE A 99 16.956 -2.215 10.458 1.00 23.03 H new ATOM 0 HA ILE A 99 18.567 -0.800 8.489 1.00 55.24 H new ATOM 0 HB ILE A 99 17.203 -2.089 6.852 1.00 2.14 H new ATOM 0 HG12 ILE A 99 15.907 -4.024 8.336 1.00 74.11 H new ATOM 0 HG13 ILE A 99 15.594 -2.581 9.279 1.00 74.11 H new ATOM 0 HG21 ILE A 99 18.042 -4.325 7.453 1.00 25.55 H new ATOM 0 HG22 ILE A 99 19.262 -3.064 7.749 1.00 25.55 H new ATOM 0 HG23 ILE A 99 18.353 -3.760 9.111 1.00 25.55 H new ATOM 0 HD11 ILE A 99 13.810 -2.967 7.649 1.00 71.20 H new ATOM 0 HD12 ILE A 99 14.677 -1.458 7.280 1.00 71.20 H new ATOM 0 HD13 ILE A 99 14.995 -2.924 6.322 1.00 71.20 H new ATOM 1458 N VAL A 100 16.995 1.004 7.817 1.00 61.33 N ATOM 1459 CA VAL A 100 16.119 2.121 7.485 1.00 31.21 C ATOM 1460 C VAL A 100 15.638 2.032 6.041 1.00 12.02 C ATOM 1461 O VAL A 100 16.328 2.463 5.118 1.00 43.23 O ATOM 1462 CB VAL A 100 16.828 3.472 7.696 1.00 34.14 C ATOM 1463 CG1 VAL A 100 16.942 3.789 9.180 1.00 54.03 C ATOM 1464 CG2 VAL A 100 18.199 3.463 7.038 1.00 72.52 C ATOM 0 H VAL A 100 17.958 1.115 7.499 1.00 61.33 H new ATOM 0 HA VAL A 100 15.261 2.061 8.155 1.00 31.21 H new ATOM 0 HB VAL A 100 16.230 4.253 7.226 1.00 34.14 H new ATOM 0 HG11 VAL A 100 17.446 4.747 9.310 1.00 54.03 H new ATOM 0 HG12 VAL A 100 15.945 3.840 9.619 1.00 54.03 H new ATOM 0 HG13 VAL A 100 17.517 3.007 9.676 1.00 54.03 H new ATOM 0 HG21 VAL A 100 18.685 4.425 7.197 1.00 72.52 H new ATOM 0 HG22 VAL A 100 18.808 2.672 7.476 1.00 72.52 H new ATOM 0 HG23 VAL A 100 18.088 3.285 5.968 1.00 72.52 H new ATOM 1474 N VAL A 101 14.448 1.470 5.853 1.00 11.11 N ATOM 1475 CA VAL A 101 13.873 1.326 4.521 1.00 35.22 C ATOM 1476 C VAL A 101 13.589 2.686 3.895 1.00 45.45 C ATOM 1477 O VAL A 101 13.035 3.576 4.539 1.00 23.54 O ATOM 1478 CB VAL A 101 12.567 0.509 4.559 1.00 24.21 C ATOM 1479 CG1 VAL A 101 11.504 1.238 5.366 1.00 10.10 C ATOM 1480 CG2 VAL A 101 12.076 0.225 3.148 1.00 70.32 C ATOM 0 H VAL A 101 13.864 1.107 6.606 1.00 11.11 H new ATOM 0 HA VAL A 101 14.608 0.796 3.915 1.00 35.22 H new ATOM 0 HB VAL A 101 12.769 -0.444 5.048 1.00 24.21 H new ATOM 0 HG11 VAL A 101 10.589 0.646 5.382 1.00 10.10 H new ATOM 0 HG12 VAL A 101 11.859 1.385 6.386 1.00 10.10 H new ATOM 0 HG13 VAL A 101 11.301 2.207 4.909 1.00 10.10 H new ATOM 0 HG21 VAL A 101 11.153 -0.353 3.193 1.00 70.32 H new ATOM 0 HG22 VAL A 101 11.890 1.166 2.631 1.00 70.32 H new ATOM 0 HG23 VAL A 101 12.833 -0.342 2.607 1.00 70.32 H new ATOM 1490 N GLY A 102 13.974 2.842 2.631 1.00 30.31 N ATOM 1491 CA GLY A 102 13.753 4.097 1.937 1.00 12.04 C ATOM 1492 C GLY A 102 13.304 3.896 0.504 1.00 60.25 C ATOM 1493 O GLY A 102 13.947 4.378 -0.428 1.00 4.22 O ATOM 0 H GLY A 102 14.435 2.121 2.076 1.00 30.31 H new ATOM 0 HA2 GLY A 102 13.001 4.677 2.472 1.00 12.04 H new ATOM 0 HA3 GLY A 102 14.673 4.681 1.948 1.00 12.04 H new