USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 271 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 314 THR OG1 : rot 180:sc= 0 USER MOD Single : A 316 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 320 GLN : amide:sc= -2.67 K(o=-2.7,f=-11!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.1) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 343 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 6.822 -4.104 -7.768 1.00 54.41 N ATOM 40 CA GLU A 312 6.205 -3.677 -9.019 1.00 31.32 C ATOM 41 C GLU A 312 5.605 -2.281 -8.881 1.00 43.24 C ATOM 42 O GLU A 312 5.954 -1.368 -9.629 1.00 51.22 O ATOM 43 CB GLU A 312 5.121 -4.670 -9.443 1.00 71.32 C ATOM 44 CG GLU A 312 5.580 -6.118 -9.422 1.00 62.52 C ATOM 45 CD GLU A 312 4.658 -7.034 -10.203 1.00 72.31 C ATOM 46 OE1 GLU A 312 5.160 -7.801 -11.051 1.00 24.12 O ATOM 47 OE2 GLU A 312 3.433 -6.984 -9.966 1.00 34.13 O ATOM 0 HA GLU A 312 6.980 -3.646 -9.785 1.00 31.32 H new ATOM 0 HB2 GLU A 312 4.261 -4.561 -8.782 1.00 71.32 H new ATOM 0 HB3 GLU A 312 4.784 -4.419 -10.449 1.00 71.32 H new ATOM 0 HG2 GLU A 312 6.586 -6.182 -9.836 1.00 62.52 H new ATOM 0 HG3 GLU A 312 5.638 -6.462 -8.389 1.00 62.52 H new ATOM 54 N ALA A 313 4.701 -2.124 -7.920 1.00 52.44 N ATOM 55 CA ALA A 313 4.053 -0.839 -7.683 1.00 64.34 C ATOM 56 C ALA A 313 5.053 0.193 -7.173 1.00 53.45 C ATOM 57 O ALA A 313 4.976 1.372 -7.522 1.00 2.33 O ATOM 58 CB ALA A 313 2.907 -1.000 -6.696 1.00 24.34 C ATOM 0 H ALA A 313 4.400 -2.870 -7.293 1.00 52.44 H new ATOM 0 HA ALA A 313 3.653 -0.481 -8.631 1.00 64.34 H new ATOM 0 HB1 ALA A 313 2.433 -0.033 -6.528 1.00 24.34 H new ATOM 0 HB2 ALA A 313 2.174 -1.699 -7.100 1.00 24.34 H new ATOM 0 HB3 ALA A 313 3.292 -1.384 -5.751 1.00 24.34 H new ATOM 64 N THR A 314 5.991 -0.256 -6.345 1.00 53.12 N ATOM 65 CA THR A 314 7.004 0.629 -5.786 1.00 1.53 C ATOM 66 C THR A 314 7.708 1.421 -6.882 1.00 2.23 C ATOM 67 O THR A 314 8.063 2.584 -6.690 1.00 1.32 O ATOM 68 CB THR A 314 8.055 -0.158 -4.981 1.00 3.33 C ATOM 69 OG1 THR A 314 7.425 -0.851 -3.898 1.00 11.43 O ATOM 70 CG2 THR A 314 9.129 0.773 -4.438 1.00 21.25 C ATOM 0 H THR A 314 6.070 -1.228 -6.047 1.00 53.12 H new ATOM 0 HA THR A 314 6.487 1.319 -5.118 1.00 1.53 H new ATOM 0 HB THR A 314 8.526 -0.880 -5.648 1.00 3.33 H new ATOM 0 HG1 THR A 314 8.100 -1.350 -3.392 1.00 11.43 H new ATOM 0 HG21 THR A 314 9.860 0.195 -3.873 1.00 21.25 H new ATOM 0 HG22 THR A 314 9.627 1.277 -5.267 1.00 21.25 H new ATOM 0 HG23 THR A 314 8.671 1.515 -3.785 1.00 21.25 H new ATOM 78 N ARG A 315 7.907 0.784 -8.031 1.00 12.01 N ATOM 79 CA ARG A 315 8.569 1.430 -9.158 1.00 24.52 C ATOM 80 C ARG A 315 7.748 2.610 -9.668 1.00 30.10 C ATOM 81 O ARG A 315 8.185 3.758 -9.597 1.00 52.33 O ATOM 82 CB ARG A 315 8.794 0.424 -10.289 1.00 3.23 C ATOM 83 CG ARG A 315 9.615 0.978 -11.442 1.00 2.23 C ATOM 84 CD ARG A 315 10.404 -0.118 -12.141 1.00 40.20 C ATOM 85 NE ARG A 315 10.800 0.270 -13.492 1.00 44.01 N ATOM 86 CZ ARG A 315 11.842 1.050 -13.757 1.00 2.52 C ATOM 87 NH1 ARG A 315 12.589 1.523 -12.768 1.00 54.43 N ATOM 88 NH2 ARG A 315 12.139 1.359 -15.013 1.00 24.13 N ATOM 0 H ARG A 315 7.619 -0.179 -8.206 1.00 12.01 H new ATOM 0 HA ARG A 315 9.534 1.803 -8.815 1.00 24.52 H new ATOM 0 HB2 ARG A 315 9.296 -0.456 -9.887 1.00 3.23 H new ATOM 0 HB3 ARG A 315 7.827 0.094 -10.668 1.00 3.23 H new ATOM 0 HG2 ARG A 315 8.955 1.466 -12.159 1.00 2.23 H new ATOM 0 HG3 ARG A 315 10.300 1.740 -11.069 1.00 2.23 H new ATOM 0 HD2 ARG A 315 11.293 -0.354 -11.556 1.00 40.20 H new ATOM 0 HD3 ARG A 315 9.802 -1.026 -12.186 1.00 40.20 H new ATOM 0 HE ARG A 315 10.246 -0.077 -14.275 1.00 44.01 H new ATOM 0 HH11 ARG A 315 12.364 1.288 -11.801 1.00 54.43 H new ATOM 0 HH12 ARG A 315 13.389 2.122 -12.974 1.00 54.43 H new ATOM 0 HH21 ARG A 315 11.567 0.997 -15.776 1.00 24.13 H new ATOM 0 HH22 ARG A 315 12.939 1.958 -15.215 1.00 24.13 H new ATOM 102 N GLN A 316 6.557 2.318 -10.182 1.00 25.23 N ATOM 103 CA GLN A 316 5.676 3.355 -10.705 1.00 3.13 C ATOM 104 C GLN A 316 5.443 4.446 -9.665 1.00 44.52 C ATOM 105 O GLN A 316 5.378 5.630 -9.997 1.00 74.43 O ATOM 106 CB GLN A 316 4.339 2.749 -11.134 1.00 11.13 C ATOM 107 CG GLN A 316 3.644 1.966 -10.031 1.00 42.13 C ATOM 108 CD GLN A 316 2.315 1.387 -10.475 1.00 42.31 C ATOM 109 OE1 GLN A 316 1.253 1.913 -10.140 1.00 62.11 O ATOM 110 NE2 GLN A 316 2.367 0.299 -11.234 1.00 21.34 N ATOM 0 H GLN A 316 6.181 1.372 -10.247 1.00 25.23 H new ATOM 0 HA GLN A 316 6.159 3.803 -11.573 1.00 3.13 H new ATOM 0 HB2 GLN A 316 3.679 3.548 -11.472 1.00 11.13 H new ATOM 0 HB3 GLN A 316 4.505 2.090 -11.987 1.00 11.13 H new ATOM 0 HG2 GLN A 316 4.295 1.158 -9.699 1.00 42.13 H new ATOM 0 HG3 GLN A 316 3.483 2.619 -9.173 1.00 42.13 H new ATOM 0 HE21 GLN A 316 3.269 -0.103 -11.487 1.00 21.34 H new ATOM 0 HE22 GLN A 316 1.505 -0.135 -11.564 1.00 21.34 H new ATOM 119 N ALA A 317 5.319 4.040 -8.406 1.00 1.52 N ATOM 120 CA ALA A 317 5.095 4.984 -7.318 1.00 22.04 C ATOM 121 C ALA A 317 6.340 5.825 -7.055 1.00 20.40 C ATOM 122 O ALA A 317 6.244 6.992 -6.677 1.00 31.33 O ATOM 123 CB ALA A 317 4.680 4.244 -6.055 1.00 15.13 C ATOM 0 H ALA A 317 5.370 3.064 -8.114 1.00 1.52 H new ATOM 0 HA ALA A 317 4.290 5.657 -7.614 1.00 22.04 H new ATOM 0 HB1 ALA A 317 4.516 4.961 -5.251 1.00 15.13 H new ATOM 0 HB2 ALA A 317 3.759 3.692 -6.243 1.00 15.13 H new ATOM 0 HB3 ALA A 317 5.467 3.548 -5.766 1.00 15.13 H new ATOM 129 N ALA A 318 7.508 5.224 -7.257 1.00 71.55 N ATOM 130 CA ALA A 318 8.772 5.918 -7.044 1.00 34.33 C ATOM 131 C ALA A 318 9.000 6.983 -8.110 1.00 52.43 C ATOM 132 O ALA A 318 9.593 8.027 -7.841 1.00 43.21 O ATOM 133 CB ALA A 318 9.924 4.924 -7.032 1.00 41.42 C ATOM 0 H ALA A 318 7.605 4.257 -7.568 1.00 71.55 H new ATOM 0 HA ALA A 318 8.726 6.416 -6.075 1.00 34.33 H new ATOM 0 HB1 ALA A 318 10.862 5.456 -6.872 1.00 41.42 H new ATOM 0 HB2 ALA A 318 9.774 4.203 -6.228 1.00 41.42 H new ATOM 0 HB3 ALA A 318 9.962 4.400 -7.987 1.00 41.42 H new ATOM 139 N ALA A 319 8.525 6.713 -9.322 1.00 22.42 N ATOM 140 CA ALA A 319 8.677 7.649 -10.428 1.00 53.14 C ATOM 141 C ALA A 319 7.556 8.683 -10.430 1.00 74.11 C ATOM 142 O ALA A 319 7.807 9.883 -10.535 1.00 72.03 O ATOM 143 CB ALA A 319 8.709 6.900 -11.753 1.00 11.54 C ATOM 0 H ALA A 319 8.032 5.853 -9.562 1.00 22.42 H new ATOM 0 HA ALA A 319 9.622 8.176 -10.298 1.00 53.14 H new ATOM 0 HB1 ALA A 319 8.823 7.612 -12.571 1.00 11.54 H new ATOM 0 HB2 ALA A 319 9.548 6.205 -11.758 1.00 11.54 H new ATOM 0 HB3 ALA A 319 7.779 6.347 -11.881 1.00 11.54 H new ATOM 149 N GLN A 320 6.319 8.209 -10.314 1.00 25.34 N ATOM 150 CA GLN A 320 5.160 9.093 -10.303 1.00 44.23 C ATOM 151 C GLN A 320 5.334 10.207 -9.276 1.00 23.54 C ATOM 152 O GLN A 320 4.836 11.316 -9.459 1.00 52.43 O ATOM 153 CB GLN A 320 3.889 8.299 -10.002 1.00 34.55 C ATOM 154 CG GLN A 320 3.699 7.992 -8.525 1.00 14.43 C ATOM 155 CD GLN A 320 2.917 9.071 -7.801 1.00 73.10 C ATOM 156 OE1 GLN A 320 3.496 9.964 -7.182 1.00 53.10 O ATOM 157 NE2 GLN A 320 1.593 8.994 -7.875 1.00 61.42 N ATOM 0 H GLN A 320 6.094 7.218 -10.226 1.00 25.34 H new ATOM 0 HA GLN A 320 5.071 9.546 -11.291 1.00 44.23 H new ATOM 0 HB2 GLN A 320 3.026 8.860 -10.362 1.00 34.55 H new ATOM 0 HB3 GLN A 320 3.915 7.362 -10.559 1.00 34.55 H new ATOM 0 HG2 GLN A 320 3.180 7.039 -8.420 1.00 14.43 H new ATOM 0 HG3 GLN A 320 4.675 7.877 -8.053 1.00 14.43 H new ATOM 0 HE21 GLN A 320 1.155 8.237 -8.399 1.00 61.42 H new ATOM 0 HE22 GLN A 320 1.015 9.692 -7.408 1.00 61.42 H new ATOM 166 N GLU A 321 6.044 9.901 -8.194 1.00 3.21 N ATOM 167 CA GLU A 321 6.282 10.877 -7.137 1.00 23.13 C ATOM 168 C GLU A 321 7.342 11.890 -7.560 1.00 21.03 C ATOM 169 O GLU A 321 7.259 13.069 -7.219 1.00 14.34 O ATOM 170 CB GLU A 321 6.719 10.172 -5.851 1.00 2.13 C ATOM 171 CG GLU A 321 5.559 9.686 -4.999 1.00 11.13 C ATOM 172 CD GLU A 321 5.934 9.528 -3.538 1.00 13.31 C ATOM 173 OE1 GLU A 321 6.903 8.795 -3.251 1.00 3.23 O ATOM 174 OE2 GLU A 321 5.258 10.137 -2.682 1.00 41.02 O ATOM 0 H GLU A 321 6.464 8.986 -8.027 1.00 3.21 H new ATOM 0 HA GLU A 321 5.349 11.409 -6.952 1.00 23.13 H new ATOM 0 HB2 GLU A 321 7.350 9.322 -6.109 1.00 2.13 H new ATOM 0 HB3 GLU A 321 7.330 10.855 -5.262 1.00 2.13 H new ATOM 0 HG2 GLU A 321 4.731 10.390 -5.084 1.00 11.13 H new ATOM 0 HG3 GLU A 321 5.205 8.730 -5.385 1.00 11.13 H new ATOM 181 N GLU A 322 8.338 11.420 -8.304 1.00 61.22 N ATOM 182 CA GLU A 322 9.415 12.284 -8.772 1.00 50.34 C ATOM 183 C GLU A 322 8.900 13.286 -9.802 1.00 70.33 C ATOM 184 O GLU A 322 9.032 14.497 -9.626 1.00 64.12 O ATOM 185 CB GLU A 322 10.544 11.448 -9.378 1.00 73.35 C ATOM 186 CG GLU A 322 11.510 10.891 -8.347 1.00 3.13 C ATOM 187 CD GLU A 322 12.453 11.946 -7.802 1.00 2.24 C ATOM 188 OE1 GLU A 322 13.002 11.740 -6.700 1.00 24.45 O ATOM 189 OE2 GLU A 322 12.642 12.979 -8.478 1.00 73.14 O ATOM 0 H GLU A 322 8.421 10.446 -8.595 1.00 61.22 H new ATOM 0 HA GLU A 322 9.802 12.836 -7.915 1.00 50.34 H new ATOM 0 HB2 GLU A 322 10.111 10.621 -9.941 1.00 73.35 H new ATOM 0 HB3 GLU A 322 11.098 12.062 -10.088 1.00 73.35 H new ATOM 0 HG2 GLU A 322 10.945 10.454 -7.524 1.00 3.13 H new ATOM 0 HG3 GLU A 322 12.092 10.086 -8.797 1.00 3.13 H new ATOM 196 N ARG A 323 8.313 12.771 -10.878 1.00 31.44 N ATOM 197 CA ARG A 323 7.780 13.618 -11.937 1.00 15.51 C ATOM 198 C ARG A 323 6.845 14.681 -11.365 1.00 23.44 C ATOM 199 O ARG A 323 6.892 15.845 -11.765 1.00 32.41 O ATOM 200 CB ARG A 323 7.034 12.772 -12.970 1.00 63.14 C ATOM 201 CG ARG A 323 5.927 11.918 -12.374 1.00 51.43 C ATOM 202 CD ARG A 323 5.306 11.003 -13.418 1.00 24.43 C ATOM 203 NE ARG A 323 4.990 11.715 -14.653 1.00 3.13 N ATOM 204 CZ ARG A 323 4.810 11.113 -15.823 1.00 41.10 C ATOM 205 NH1 ARG A 323 4.914 9.795 -15.917 1.00 32.41 N ATOM 206 NH2 ARG A 323 4.525 11.830 -16.902 1.00 50.15 N ATOM 0 H ARG A 323 8.195 11.771 -11.039 1.00 31.44 H new ATOM 0 HA ARG A 323 8.618 14.118 -12.423 1.00 15.51 H new ATOM 0 HB2 ARG A 323 6.606 13.431 -13.726 1.00 63.14 H new ATOM 0 HB3 ARG A 323 7.747 12.124 -13.479 1.00 63.14 H new ATOM 0 HG2 ARG A 323 6.328 11.319 -11.556 1.00 51.43 H new ATOM 0 HG3 ARG A 323 5.157 12.563 -11.949 1.00 51.43 H new ATOM 0 HD2 ARG A 323 5.992 10.185 -13.637 1.00 24.43 H new ATOM 0 HD3 ARG A 323 4.397 10.557 -13.014 1.00 24.43 H new ATOM 0 HE ARG A 323 4.903 12.731 -14.615 1.00 3.13 H new ATOM 0 HH11 ARG A 323 5.133 9.240 -15.089 1.00 32.41 H new ATOM 0 HH12 ARG A 323 4.775 9.335 -16.817 1.00 32.41 H new ATOM 0 HH21 ARG A 323 4.444 12.844 -16.833 1.00 50.15 H new ATOM 0 HH22 ARG A 323 4.387 11.367 -17.800 1.00 50.15 H new ATOM 220 N LEU A 324 5.998 14.272 -10.427 1.00 13.12 N ATOM 221 CA LEU A 324 5.052 15.188 -9.799 1.00 54.12 C ATOM 222 C LEU A 324 5.776 16.197 -8.914 1.00 20.13 C ATOM 223 O LEU A 324 5.417 17.373 -8.874 1.00 13.23 O ATOM 224 CB LEU A 324 4.029 14.408 -8.972 1.00 33.15 C ATOM 225 CG LEU A 324 2.688 14.128 -9.652 1.00 23.41 C ATOM 226 CD1 LEU A 324 2.897 13.347 -10.940 1.00 74.13 C ATOM 227 CD2 LEU A 324 1.761 13.371 -8.712 1.00 10.22 C ATOM 0 H LEU A 324 5.947 13.313 -10.085 1.00 13.12 H new ATOM 0 HA LEU A 324 4.533 15.732 -10.588 1.00 54.12 H new ATOM 0 HB2 LEU A 324 4.474 13.455 -8.685 1.00 33.15 H new ATOM 0 HB3 LEU A 324 3.839 14.960 -8.052 1.00 33.15 H new ATOM 0 HG LEU A 324 2.221 15.081 -9.900 1.00 23.41 H new ATOM 0 HD11 LEU A 324 1.932 13.157 -11.411 1.00 74.13 H new ATOM 0 HD12 LEU A 324 3.524 13.925 -11.619 1.00 74.13 H new ATOM 0 HD13 LEU A 324 3.385 12.398 -10.715 1.00 74.13 H new ATOM 0 HD21 LEU A 324 0.812 13.180 -9.213 1.00 10.22 H new ATOM 0 HD22 LEU A 324 2.221 12.423 -8.433 1.00 10.22 H new ATOM 0 HD23 LEU A 324 1.586 13.967 -7.816 1.00 10.22 H new ATOM 239 N ALA A 325 6.799 15.728 -8.207 1.00 4.51 N ATOM 240 CA ALA A 325 7.577 16.590 -7.326 1.00 2.35 C ATOM 241 C ALA A 325 8.098 17.813 -8.073 1.00 43.01 C ATOM 242 O ALA A 325 8.151 18.913 -7.523 1.00 2.03 O ATOM 243 CB ALA A 325 8.732 15.813 -6.712 1.00 21.14 C ATOM 0 H ALA A 325 7.108 14.756 -8.227 1.00 4.51 H new ATOM 0 HA ALA A 325 6.921 16.937 -6.527 1.00 2.35 H new ATOM 0 HB1 ALA A 325 9.304 16.469 -6.056 1.00 21.14 H new ATOM 0 HB2 ALA A 325 8.341 14.975 -6.135 1.00 21.14 H new ATOM 0 HB3 ALA A 325 9.380 15.437 -7.504 1.00 21.14 H new ATOM 249 N ASP A 326 8.483 17.613 -9.329 1.00 15.31 N ATOM 250 CA ASP A 326 8.999 18.700 -10.152 1.00 45.24 C ATOM 251 C ASP A 326 8.024 19.873 -10.180 1.00 31.34 C ATOM 252 O ASP A 326 8.420 21.028 -10.018 1.00 61.21 O ATOM 253 CB ASP A 326 9.265 18.208 -11.576 1.00 53.21 C ATOM 254 CG ASP A 326 10.024 19.223 -12.407 1.00 41.44 C ATOM 255 OD1 ASP A 326 9.400 19.858 -13.283 1.00 43.40 O ATOM 256 OD2 ASP A 326 11.243 19.382 -12.183 1.00 55.40 O ATOM 0 H ASP A 326 8.447 16.708 -9.799 1.00 15.31 H new ATOM 0 HA ASP A 326 9.936 19.041 -9.712 1.00 45.24 H new ATOM 0 HB2 ASP A 326 9.833 17.278 -11.536 1.00 53.21 H new ATOM 0 HB3 ASP A 326 8.316 17.981 -12.062 1.00 53.21 H new ATOM 261 N LEU A 327 6.747 19.569 -10.386 1.00 23.41 N ATOM 262 CA LEU A 327 5.714 20.597 -10.435 1.00 42.45 C ATOM 263 C LEU A 327 5.347 21.069 -9.032 1.00 20.50 C ATOM 264 O LEU A 327 5.125 22.257 -8.804 1.00 13.21 O ATOM 265 CB LEU A 327 4.470 20.065 -11.149 1.00 22.33 C ATOM 266 CG LEU A 327 3.623 21.103 -11.885 1.00 72.34 C ATOM 267 CD1 LEU A 327 3.102 22.152 -10.916 1.00 2.22 C ATOM 268 CD2 LEU A 327 4.428 21.756 -12.999 1.00 64.41 C ATOM 0 H LEU A 327 6.403 18.619 -10.522 1.00 23.41 H new ATOM 0 HA LEU A 327 6.109 21.447 -10.992 1.00 42.45 H new ATOM 0 HB2 LEU A 327 4.784 19.307 -11.866 1.00 22.33 H new ATOM 0 HB3 LEU A 327 3.839 19.566 -10.413 1.00 22.33 H new ATOM 0 HG LEU A 327 2.768 20.595 -12.332 1.00 72.34 H new ATOM 0 HD11 LEU A 327 2.501 22.882 -11.459 1.00 2.22 H new ATOM 0 HD12 LEU A 327 2.488 21.671 -10.155 1.00 2.22 H new ATOM 0 HD13 LEU A 327 3.943 22.656 -10.439 1.00 2.22 H new ATOM 0 HD21 LEU A 327 3.809 22.492 -13.512 1.00 64.41 H new ATOM 0 HD22 LEU A 327 5.302 22.250 -12.575 1.00 64.41 H new ATOM 0 HD23 LEU A 327 4.750 20.995 -13.709 1.00 64.41 H new ATOM 280 N ALA A 328 5.288 20.128 -8.094 1.00 55.45 N ATOM 281 CA ALA A 328 4.952 20.448 -6.712 1.00 71.15 C ATOM 282 C ALA A 328 5.848 21.557 -6.172 1.00 62.11 C ATOM 283 O ALA A 328 5.378 22.480 -5.508 1.00 15.31 O ATOM 284 CB ALA A 328 5.063 19.205 -5.842 1.00 1.34 C ATOM 0 H ALA A 328 5.468 19.139 -8.266 1.00 55.45 H new ATOM 0 HA ALA A 328 3.922 20.805 -6.687 1.00 71.15 H new ATOM 0 HB1 ALA A 328 4.810 19.458 -4.812 1.00 1.34 H new ATOM 0 HB2 ALA A 328 4.376 18.442 -6.208 1.00 1.34 H new ATOM 0 HB3 ALA A 328 6.083 18.823 -5.881 1.00 1.34 H new ATOM 290 N SER A 329 7.142 21.459 -6.461 1.00 0.23 N ATOM 291 CA SER A 329 8.105 22.452 -6.000 1.00 2.25 C ATOM 292 C SER A 329 8.042 23.711 -6.860 1.00 31.34 C ATOM 293 O SER A 329 8.185 24.826 -6.359 1.00 13.25 O ATOM 294 CB SER A 329 9.521 21.872 -6.028 1.00 14.24 C ATOM 295 OG SER A 329 10.489 22.897 -6.171 1.00 31.04 O ATOM 0 H SER A 329 7.547 20.702 -7.012 1.00 0.23 H new ATOM 0 HA SER A 329 7.850 22.720 -4.975 1.00 2.25 H new ATOM 0 HB2 SER A 329 9.708 21.316 -5.109 1.00 14.24 H new ATOM 0 HB3 SER A 329 9.611 21.164 -6.852 1.00 14.24 H new ATOM 0 HG SER A 329 11.385 22.501 -6.185 1.00 31.04 H new ATOM 301 N ASP A 330 7.827 23.523 -8.157 1.00 31.31 N ATOM 302 CA ASP A 330 7.743 24.642 -9.088 1.00 63.22 C ATOM 303 C ASP A 330 6.714 25.665 -8.617 1.00 64.13 C ATOM 304 O ASP A 330 7.028 26.844 -8.448 1.00 21.00 O ATOM 305 CB ASP A 330 7.381 24.142 -10.488 1.00 12.43 C ATOM 306 CG ASP A 330 7.236 25.274 -11.487 1.00 23.44 C ATOM 307 OD1 ASP A 330 6.106 25.776 -11.654 1.00 13.23 O ATOM 308 OD2 ASP A 330 8.254 25.656 -12.102 1.00 71.31 O ATOM 0 H ASP A 330 7.708 22.606 -8.588 1.00 31.31 H new ATOM 0 HA ASP A 330 8.719 25.126 -9.125 1.00 63.22 H new ATOM 0 HB2 ASP A 330 8.150 23.452 -10.834 1.00 12.43 H new ATOM 0 HB3 ASP A 330 6.447 23.581 -10.440 1.00 12.43 H new ATOM 313 N LEU A 331 5.485 25.207 -8.409 1.00 21.15 N ATOM 314 CA LEU A 331 4.409 26.082 -7.958 1.00 53.40 C ATOM 315 C LEU A 331 4.657 26.561 -6.531 1.00 71.40 C ATOM 316 O LEU A 331 4.354 27.704 -6.186 1.00 64.24 O ATOM 317 CB LEU A 331 3.066 25.355 -8.038 1.00 34.42 C ATOM 318 CG LEU A 331 2.838 24.251 -7.004 1.00 15.42 C ATOM 319 CD1 LEU A 331 2.202 24.822 -5.746 1.00 1.34 C ATOM 320 CD2 LEU A 331 1.970 23.145 -7.587 1.00 3.23 C ATOM 0 H LEU A 331 5.209 24.235 -8.545 1.00 21.15 H new ATOM 0 HA LEU A 331 4.384 26.952 -8.614 1.00 53.40 H new ATOM 0 HB2 LEU A 331 2.270 26.092 -7.935 1.00 34.42 H new ATOM 0 HB3 LEU A 331 2.970 24.919 -9.033 1.00 34.42 H new ATOM 0 HG LEU A 331 3.805 23.824 -6.737 1.00 15.42 H new ATOM 0 HD11 LEU A 331 2.047 24.022 -5.022 1.00 1.34 H new ATOM 0 HD12 LEU A 331 2.859 25.578 -5.317 1.00 1.34 H new ATOM 0 HD13 LEU A 331 1.243 25.275 -5.997 1.00 1.34 H new ATOM 0 HD21 LEU A 331 1.818 22.368 -6.837 1.00 3.23 H new ATOM 0 HD22 LEU A 331 1.005 23.557 -7.883 1.00 3.23 H new ATOM 0 HD23 LEU A 331 2.464 22.716 -8.459 1.00 3.23 H new ATOM 332 N LEU A 332 5.211 25.680 -5.705 1.00 60.45 N ATOM 333 CA LEU A 332 5.503 26.012 -4.315 1.00 52.23 C ATOM 334 C LEU A 332 6.384 27.254 -4.226 1.00 30.12 C ATOM 335 O LEU A 332 6.198 28.099 -3.349 1.00 32.31 O ATOM 336 CB LEU A 332 6.190 24.834 -3.622 1.00 13.30 C ATOM 337 CG LEU A 332 6.640 25.074 -2.181 1.00 25.04 C ATOM 338 CD1 LEU A 332 5.437 25.230 -1.264 1.00 41.50 C ATOM 339 CD2 LEU A 332 7.532 23.936 -1.704 1.00 54.13 C ATOM 0 H LEU A 332 5.467 24.730 -5.974 1.00 60.45 H new ATOM 0 HA LEU A 332 4.560 26.221 -3.811 1.00 52.23 H new ATOM 0 HB2 LEU A 332 5.508 23.984 -3.632 1.00 13.30 H new ATOM 0 HB3 LEU A 332 7.062 24.550 -4.211 1.00 13.30 H new ATOM 0 HG LEU A 332 7.216 25.999 -2.151 1.00 25.04 H new ATOM 0 HD11 LEU A 332 5.778 25.400 -0.243 1.00 41.50 H new ATOM 0 HD12 LEU A 332 4.837 26.079 -1.592 1.00 41.50 H new ATOM 0 HD13 LEU A 332 4.833 24.323 -1.299 1.00 41.50 H new ATOM 0 HD21 LEU A 332 7.843 24.124 -0.676 1.00 54.13 H new ATOM 0 HD22 LEU A 332 6.980 22.997 -1.750 1.00 54.13 H new ATOM 0 HD23 LEU A 332 8.412 23.871 -2.343 1.00 54.13 H new ATOM 351 N LEU A 333 7.343 27.360 -5.139 1.00 74.34 N ATOM 352 CA LEU A 333 8.252 28.500 -5.166 1.00 1.04 C ATOM 353 C LEU A 333 7.527 29.764 -5.616 1.00 2.43 C ATOM 354 O LEU A 333 7.740 30.843 -5.063 1.00 25.12 O ATOM 355 CB LEU A 333 9.431 28.216 -6.097 1.00 64.43 C ATOM 356 CG LEU A 333 10.746 28.916 -5.750 1.00 34.45 C ATOM 357 CD1 LEU A 333 11.925 28.166 -6.350 1.00 52.20 C ATOM 358 CD2 LEU A 333 10.726 30.358 -6.233 1.00 52.25 C ATOM 0 H LEU A 333 7.511 26.670 -5.871 1.00 74.34 H new ATOM 0 HA LEU A 333 8.626 28.658 -4.155 1.00 1.04 H new ATOM 0 HB2 LEU A 333 9.608 27.140 -6.109 1.00 64.43 H new ATOM 0 HB3 LEU A 333 9.146 28.503 -7.109 1.00 64.43 H new ATOM 0 HG LEU A 333 10.859 28.919 -4.666 1.00 34.45 H new ATOM 0 HD11 LEU A 333 12.852 28.679 -6.092 1.00 52.20 H new ATOM 0 HD12 LEU A 333 11.950 27.151 -5.954 1.00 52.20 H new ATOM 0 HD13 LEU A 333 11.820 28.130 -7.434 1.00 52.20 H new ATOM 0 HD21 LEU A 333 11.669 30.840 -5.977 1.00 52.25 H new ATOM 0 HD22 LEU A 333 10.589 30.378 -7.314 1.00 52.25 H new ATOM 0 HD23 LEU A 333 9.905 30.891 -5.754 1.00 52.25 H new ATOM 370 N GLN A 334 6.669 29.622 -6.620 1.00 51.35 N ATOM 371 CA GLN A 334 5.911 30.753 -7.143 1.00 44.32 C ATOM 372 C GLN A 334 5.077 31.404 -6.045 1.00 33.31 C ATOM 373 O GLN A 334 4.912 32.623 -6.017 1.00 13.53 O ATOM 374 CB GLN A 334 5.005 30.301 -8.289 1.00 53.11 C ATOM 375 CG GLN A 334 4.709 31.397 -9.300 1.00 12.53 C ATOM 376 CD GLN A 334 5.919 31.762 -10.136 1.00 43.33 C ATOM 377 OE1 GLN A 334 6.366 32.910 -10.135 1.00 23.40 O ATOM 378 NE2 GLN A 334 6.457 30.785 -10.857 1.00 5.32 N ATOM 0 H GLN A 334 6.481 28.735 -7.088 1.00 51.35 H new ATOM 0 HA GLN A 334 6.620 31.490 -7.520 1.00 44.32 H new ATOM 0 HB2 GLN A 334 5.474 29.462 -8.803 1.00 53.11 H new ATOM 0 HB3 GLN A 334 4.065 29.936 -7.875 1.00 53.11 H new ATOM 0 HG2 GLN A 334 3.903 31.071 -9.957 1.00 12.53 H new ATOM 0 HG3 GLN A 334 4.354 32.284 -8.775 1.00 12.53 H new ATOM 0 HE21 GLN A 334 6.054 29.848 -10.828 1.00 5.32 H new ATOM 0 HE22 GLN A 334 7.273 30.971 -11.440 1.00 5.32 H new ATOM 387 N TYR A 335 4.552 30.582 -5.143 1.00 2.05 N ATOM 388 CA TYR A 335 3.732 31.077 -4.043 1.00 51.04 C ATOM 389 C TYR A 335 4.474 32.147 -3.249 1.00 1.23 C ATOM 390 O TYR A 335 3.883 33.137 -2.815 1.00 43.32 O ATOM 391 CB TYR A 335 3.331 29.926 -3.119 1.00 65.35 C ATOM 392 CG TYR A 335 2.113 30.223 -2.274 1.00 45.14 C ATOM 393 CD1 TYR A 335 2.190 30.225 -0.887 1.00 21.01 C ATOM 394 CD2 TYR A 335 0.886 30.501 -2.863 1.00 0.11 C ATOM 395 CE1 TYR A 335 1.080 30.495 -0.111 1.00 12.44 C ATOM 396 CE2 TYR A 335 -0.229 30.774 -2.095 1.00 10.25 C ATOM 397 CZ TYR A 335 -0.127 30.770 -0.719 1.00 32.10 C ATOM 398 OH TYR A 335 -1.236 31.040 0.050 1.00 60.11 O ATOM 0 H TYR A 335 4.680 29.570 -5.152 1.00 2.05 H new ATOM 0 HA TYR A 335 2.832 31.523 -4.467 1.00 51.04 H new ATOM 0 HB2 TYR A 335 3.137 29.039 -3.721 1.00 65.35 H new ATOM 0 HB3 TYR A 335 4.169 29.689 -2.463 1.00 65.35 H new ATOM 0 HD1 TYR A 335 3.134 30.012 -0.407 1.00 21.01 H new ATOM 0 HD2 TYR A 335 0.803 30.504 -3.940 1.00 0.11 H new ATOM 0 HE1 TYR A 335 1.157 30.491 0.966 1.00 12.44 H new ATOM 0 HE2 TYR A 335 -1.175 30.989 -2.569 1.00 10.25 H new ATOM 0 HH TYR A 335 -2.004 31.214 -0.533 1.00 60.11 H new ATOM 408 N LEU A 336 5.773 31.941 -3.062 1.00 1.22 N ATOM 409 CA LEU A 336 6.599 32.888 -2.320 1.00 32.31 C ATOM 410 C LEU A 336 7.113 33.995 -3.234 1.00 53.32 C ATOM 411 O LEU A 336 6.986 35.180 -2.924 1.00 14.54 O ATOM 412 CB LEU A 336 7.777 32.164 -1.665 1.00 74.54 C ATOM 413 CG LEU A 336 7.424 31.189 -0.541 1.00 2.22 C ATOM 414 CD1 LEU A 336 7.025 29.837 -1.111 1.00 51.34 C ATOM 415 CD2 LEU A 336 8.594 31.040 0.421 1.00 32.32 C ATOM 0 H LEU A 336 6.277 31.127 -3.414 1.00 1.22 H new ATOM 0 HA LEU A 336 5.981 33.340 -1.544 1.00 32.31 H new ATOM 0 HB2 LEU A 336 8.316 31.616 -2.438 1.00 74.54 H new ATOM 0 HB3 LEU A 336 8.462 32.913 -1.268 1.00 74.54 H new ATOM 0 HG LEU A 336 6.574 31.592 0.010 1.00 2.22 H new ATOM 0 HD11 LEU A 336 6.778 29.157 -0.296 1.00 51.34 H new ATOM 0 HD12 LEU A 336 6.157 29.957 -1.759 1.00 51.34 H new ATOM 0 HD13 LEU A 336 7.854 29.426 -1.687 1.00 51.34 H new ATOM 0 HD21 LEU A 336 8.326 30.343 1.215 1.00 32.32 H new ATOM 0 HD22 LEU A 336 9.462 30.660 -0.118 1.00 32.32 H new ATOM 0 HD23 LEU A 336 8.833 32.010 0.856 1.00 32.32 H new ATOM 427 N LEU A 337 7.692 33.602 -4.363 1.00 54.03 N ATOM 428 CA LEU A 337 8.223 34.562 -5.325 1.00 60.41 C ATOM 429 C LEU A 337 7.175 35.609 -5.685 1.00 55.13 C ATOM 430 O LEU A 337 7.496 36.782 -5.876 1.00 73.30 O ATOM 431 CB LEU A 337 8.694 33.839 -6.589 1.00 11.33 C ATOM 432 CG LEU A 337 9.602 34.641 -7.521 1.00 44.41 C ATOM 433 CD1 LEU A 337 10.514 33.712 -8.307 1.00 44.31 C ATOM 434 CD2 LEU A 337 8.773 35.501 -8.464 1.00 43.20 C ATOM 0 H LEU A 337 7.806 32.626 -4.635 1.00 54.03 H new ATOM 0 HA LEU A 337 9.072 35.068 -4.865 1.00 60.41 H new ATOM 0 HB2 LEU A 337 9.222 32.934 -6.290 1.00 11.33 H new ATOM 0 HB3 LEU A 337 7.815 33.524 -7.152 1.00 11.33 H new ATOM 0 HG LEU A 337 10.224 35.299 -6.914 1.00 44.41 H new ATOM 0 HD11 LEU A 337 11.153 34.301 -8.965 1.00 44.31 H new ATOM 0 HD12 LEU A 337 11.133 33.140 -7.616 1.00 44.31 H new ATOM 0 HD13 LEU A 337 9.910 33.029 -8.904 1.00 44.31 H new ATOM 0 HD21 LEU A 337 9.436 36.065 -9.120 1.00 43.20 H new ATOM 0 HD22 LEU A 337 8.126 34.862 -9.065 1.00 43.20 H new ATOM 0 HD23 LEU A 337 8.163 36.193 -7.884 1.00 43.20 H new ATOM 446 N GLN A 338 5.921 35.178 -5.774 1.00 74.43 N ATOM 447 CA GLN A 338 4.825 36.079 -6.110 1.00 11.31 C ATOM 448 C GLN A 338 4.654 37.151 -5.038 1.00 44.15 C ATOM 449 O GLN A 338 4.378 38.310 -5.344 1.00 44.42 O ATOM 450 CB GLN A 338 3.523 35.294 -6.275 1.00 15.24 C ATOM 451 CG GLN A 338 2.380 36.123 -6.840 1.00 20.43 C ATOM 452 CD GLN A 338 1.152 35.289 -7.147 1.00 55.34 C ATOM 453 OE1 GLN A 338 0.051 35.589 -6.682 1.00 45.04 O ATOM 454 NE2 GLN A 338 1.333 34.236 -7.935 1.00 74.22 N ATOM 0 H GLN A 338 5.639 34.210 -5.618 1.00 74.43 H new ATOM 0 HA GLN A 338 5.067 36.569 -7.053 1.00 11.31 H new ATOM 0 HB2 GLN A 338 3.702 34.443 -6.932 1.00 15.24 H new ATOM 0 HB3 GLN A 338 3.225 34.892 -5.306 1.00 15.24 H new ATOM 0 HG2 GLN A 338 2.115 36.904 -6.127 1.00 20.43 H new ATOM 0 HG3 GLN A 338 2.713 36.622 -7.750 1.00 20.43 H new ATOM 0 HE21 GLN A 338 2.262 34.024 -8.298 1.00 74.22 H new ATOM 0 HE22 GLN A 338 0.543 33.639 -8.177 1.00 74.22 H new ATOM 463 N GLY A 339 4.820 36.755 -3.780 1.00 63.00 N ATOM 464 CA GLY A 339 4.680 37.694 -2.682 1.00 63.32 C ATOM 465 C GLY A 339 5.805 38.709 -2.641 1.00 0.14 C ATOM 466 O GLY A 339 5.565 39.906 -2.492 1.00 53.41 O ATOM 0 H GLY A 339 5.049 35.801 -3.501 1.00 63.00 H new ATOM 0 HA2 GLY A 339 3.727 38.216 -2.773 1.00 63.32 H new ATOM 0 HA3 GLY A 339 4.655 37.146 -1.740 1.00 63.32 H new ATOM 470 N GLY A 340 7.038 38.230 -2.770 1.00 65.44 N ATOM 471 CA GLY A 340 8.186 39.117 -2.742 1.00 42.33 C ATOM 472 C GLY A 340 8.283 39.979 -3.985 1.00 40.34 C ATOM 473 O GLY A 340 8.636 41.156 -3.907 1.00 73.41 O ATOM 0 H GLY A 340 7.263 37.243 -2.893 1.00 65.44 H new ATOM 0 HA2 GLY A 340 8.124 39.758 -1.863 1.00 42.33 H new ATOM 0 HA3 GLY A 340 9.096 38.525 -2.642 1.00 42.33 H new ATOM 477 N ALA A 341 7.971 39.393 -5.136 1.00 74.52 N ATOM 478 CA ALA A 341 8.024 40.115 -6.401 1.00 71.11 C ATOM 479 C ALA A 341 7.103 41.330 -6.378 1.00 44.43 C ATOM 480 O ALA A 341 7.443 42.388 -6.909 1.00 1.11 O ATOM 481 CB ALA A 341 7.654 39.191 -7.552 1.00 55.52 C ATOM 0 H ALA A 341 7.679 38.419 -5.218 1.00 74.52 H new ATOM 0 HA ALA A 341 9.045 40.468 -6.547 1.00 71.11 H new ATOM 0 HB1 ALA A 341 7.698 39.743 -8.491 1.00 55.52 H new ATOM 0 HB2 ALA A 341 8.355 38.357 -7.589 1.00 55.52 H new ATOM 0 HB3 ALA A 341 6.644 38.810 -7.402 1.00 55.52 H new ATOM 487 N ARG A 342 5.937 41.172 -5.761 1.00 51.14 N ATOM 488 CA ARG A 342 4.967 42.257 -5.672 1.00 33.54 C ATOM 489 C ARG A 342 5.396 43.285 -4.630 1.00 2.42 C ATOM 490 O ARG A 342 5.223 44.488 -4.824 1.00 42.23 O ATOM 491 CB ARG A 342 3.584 41.705 -5.319 1.00 62.41 C ATOM 492 CG ARG A 342 2.968 40.857 -6.420 1.00 52.20 C ATOM 493 CD ARG A 342 2.165 41.706 -7.393 1.00 13.20 C ATOM 494 NE ARG A 342 3.021 42.389 -8.359 1.00 12.40 N ATOM 495 CZ ARG A 342 2.572 43.277 -9.239 1.00 44.25 C ATOM 496 NH1 ARG A 342 1.284 43.588 -9.275 1.00 71.12 N ATOM 497 NH2 ARG A 342 3.414 43.857 -10.086 1.00 74.44 N ATOM 0 H ARG A 342 5.641 40.304 -5.315 1.00 51.14 H new ATOM 0 HA ARG A 342 4.918 42.748 -6.644 1.00 33.54 H new ATOM 0 HB2 ARG A 342 3.662 41.106 -4.411 1.00 62.41 H new ATOM 0 HB3 ARG A 342 2.916 42.537 -5.096 1.00 62.41 H new ATOM 0 HG2 ARG A 342 3.756 40.330 -6.959 1.00 52.20 H new ATOM 0 HG3 ARG A 342 2.322 40.098 -5.978 1.00 52.20 H new ATOM 0 HD2 ARG A 342 1.453 41.074 -7.923 1.00 13.20 H new ATOM 0 HD3 ARG A 342 1.585 42.443 -6.838 1.00 13.20 H new ATOM 0 HE ARG A 342 4.018 42.172 -8.358 1.00 12.40 H new ATOM 0 HH11 ARG A 342 0.634 43.145 -8.626 1.00 71.12 H new ATOM 0 HH12 ARG A 342 0.943 44.270 -9.952 1.00 71.12 H new ATOM 0 HH21 ARG A 342 4.406 43.621 -10.061 1.00 74.44 H new ATOM 0 HH22 ARG A 342 3.069 44.539 -10.762 1.00 74.44 H new ATOM 511 N GLN A 343 5.956 42.803 -3.525 1.00 51.10 N ATOM 512 CA GLN A 343 6.409 43.681 -2.453 1.00 14.34 C ATOM 513 C GLN A 343 7.487 44.637 -2.951 1.00 5.33 C ATOM 514 O GLN A 343 7.539 45.798 -2.543 1.00 34.32 O ATOM 515 CB GLN A 343 6.943 42.856 -1.281 1.00 0.34 C ATOM 516 CG GLN A 343 5.858 42.370 -0.334 1.00 14.12 C ATOM 517 CD GLN A 343 6.289 41.165 0.479 1.00 51.31 C ATOM 518 OE1 GLN A 343 7.471 40.996 0.780 1.00 12.03 O ATOM 519 NE2 GLN A 343 5.330 40.320 0.839 1.00 63.20 N ATOM 0 H GLN A 343 6.107 41.810 -3.349 1.00 51.10 H new ATOM 0 HA GLN A 343 5.556 44.270 -2.115 1.00 14.34 H new ATOM 0 HB2 GLN A 343 7.485 41.995 -1.671 1.00 0.34 H new ATOM 0 HB3 GLN A 343 7.660 43.457 -0.721 1.00 0.34 H new ATOM 0 HG2 GLN A 343 5.582 43.179 0.342 1.00 14.12 H new ATOM 0 HG3 GLN A 343 4.967 42.116 -0.908 1.00 14.12 H new ATOM 0 HE21 GLN A 343 4.363 40.500 0.567 1.00 63.20 H new ATOM 0 HE22 GLN A 343 5.560 39.491 1.387 1.00 63.20 H new ATOM 528 N ARG A 344 8.348 44.142 -3.834 1.00 71.02 N ATOM 529 CA ARG A 344 9.427 44.952 -4.387 1.00 31.04 C ATOM 530 C ARG A 344 8.933 45.784 -5.566 1.00 52.23 C ATOM 531 O ARG A 344 9.345 46.929 -5.748 1.00 25.13 O ATOM 532 CB ARG A 344 10.588 44.060 -4.829 1.00 60.41 C ATOM 533 CG ARG A 344 11.282 43.349 -3.679 1.00 23.40 C ATOM 534 CD ARG A 344 12.602 42.735 -4.119 1.00 3.12 C ATOM 535 NE ARG A 344 12.422 41.408 -4.701 1.00 60.02 N ATOM 536 CZ ARG A 344 12.161 40.320 -3.985 1.00 10.33 C ATOM 537 NH1 ARG A 344 12.050 40.402 -2.666 1.00 31.00 N ATOM 538 NH2 ARG A 344 12.010 39.148 -4.587 1.00 70.23 N ATOM 0 H ARG A 344 8.319 43.184 -4.182 1.00 71.02 H new ATOM 0 HA ARG A 344 9.775 45.630 -3.607 1.00 31.04 H new ATOM 0 HB2 ARG A 344 10.216 43.316 -5.533 1.00 60.41 H new ATOM 0 HB3 ARG A 344 11.319 44.667 -5.363 1.00 60.41 H new ATOM 0 HG2 ARG A 344 11.460 44.055 -2.868 1.00 23.40 H new ATOM 0 HG3 ARG A 344 10.630 42.569 -3.285 1.00 23.40 H new ATOM 0 HD2 ARG A 344 13.080 43.389 -4.848 1.00 3.12 H new ATOM 0 HD3 ARG A 344 13.273 42.667 -3.263 1.00 3.12 H new ATOM 0 HE ARG A 344 12.501 41.311 -5.713 1.00 60.02 H new ATOM 0 HH11 ARG A 344 12.165 41.302 -2.199 1.00 31.00 H new ATOM 0 HH12 ARG A 344 11.850 39.565 -2.118 1.00 31.00 H new ATOM 0 HH21 ARG A 344 12.094 39.081 -5.601 1.00 70.23 H new ATOM 0 HH22 ARG A 344 11.810 38.314 -4.036 1.00 70.23 H new ATOM 552 N GLY A 345 8.046 45.200 -6.366 1.00 62.45 N ATOM 553 CA GLY A 345 7.511 45.901 -7.519 1.00 1.13 C ATOM 554 C GLY A 345 6.926 47.251 -7.155 1.00 51.32 C ATOM 555 O GLY A 345 7.441 48.291 -7.568 1.00 42.21 O ATOM 0 H GLY A 345 7.688 44.254 -6.236 1.00 62.45 H new ATOM 0 HA2 GLY A 345 8.302 46.038 -8.257 1.00 1.13 H new ATOM 0 HA3 GLY A 345 6.741 45.289 -7.988 1.00 1.13 H new ATOM 559 N LEU A 346 5.846 47.237 -6.382 1.00 11.32 N ATOM 560 CA LEU A 346 5.188 48.471 -5.964 1.00 23.43 C ATOM 561 C LEU A 346 4.980 48.491 -4.453 1.00 0.42 C ATOM 562 O LEU A 346 5.049 47.456 -3.792 1.00 62.11 O ATOM 563 CB LEU A 346 3.844 48.622 -6.678 1.00 11.25 C ATOM 564 CG LEU A 346 3.875 48.500 -8.201 1.00 65.43 C ATOM 565 CD1 LEU A 346 2.499 48.136 -8.736 1.00 61.12 C ATOM 566 CD2 LEU A 346 4.369 49.794 -8.830 1.00 42.35 C ATOM 0 H LEU A 346 5.407 46.386 -6.032 1.00 11.32 H new ATOM 0 HA LEU A 346 5.832 49.308 -6.235 1.00 23.43 H new ATOM 0 HB2 LEU A 346 3.161 47.868 -6.287 1.00 11.25 H new ATOM 0 HB3 LEU A 346 3.426 49.595 -6.420 1.00 11.25 H new ATOM 0 HG LEU A 346 4.568 47.702 -8.468 1.00 65.43 H new ATOM 0 HD11 LEU A 346 2.541 48.054 -9.822 1.00 61.12 H new ATOM 0 HD12 LEU A 346 2.184 47.183 -8.312 1.00 61.12 H new ATOM 0 HD13 LEU A 346 1.784 48.910 -8.458 1.00 61.12 H new ATOM 0 HD21 LEU A 346 4.384 49.689 -9.915 1.00 42.35 H new ATOM 0 HD22 LEU A 346 3.702 50.611 -8.554 1.00 42.35 H new ATOM 0 HD23 LEU A 346 5.375 50.011 -8.472 1.00 42.35 H new