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= -2.47 K(o=-2.5,f=-10!) USER MOD Single : A 329 SER OG : rot 180:sc= -0.381 USER MOD Single : A 334 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.027) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : A 343 GLN : amide:sc= -0.0779 X(o=-0.078,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 5.872 -3.934 -7.297 1.00 3.23 N ATOM 40 CA GLU A 312 5.297 -3.412 -8.531 1.00 32.23 C ATOM 41 C GLU A 312 4.781 -1.990 -8.332 1.00 12.12 C ATOM 42 O GLU A 312 5.234 -1.056 -8.992 1.00 41.15 O ATOM 43 CB GLU A 312 4.160 -4.316 -9.011 1.00 72.34 C ATOM 44 CG GLU A 312 4.530 -5.789 -9.054 1.00 31.45 C ATOM 45 CD GLU A 312 3.496 -6.630 -9.778 1.00 24.14 C ATOM 46 OE1 GLU A 312 3.835 -7.213 -10.829 1.00 3.24 O ATOM 47 OE2 GLU A 312 2.348 -6.705 -9.292 1.00 60.23 O ATOM 0 HA GLU A 312 6.081 -3.393 -9.288 1.00 32.23 H new ATOM 0 HB2 GLU A 312 3.301 -4.185 -8.353 1.00 72.34 H new ATOM 0 HB3 GLU A 312 3.851 -3.999 -10.007 1.00 72.34 H new ATOM 0 HG2 GLU A 312 5.495 -5.903 -9.547 1.00 31.45 H new ATOM 0 HG3 GLU A 312 4.646 -6.160 -8.036 1.00 31.45 H new ATOM 54 N ALA A 313 3.829 -1.834 -7.417 1.00 25.40 N ATOM 55 CA ALA A 313 3.252 -0.527 -7.129 1.00 64.25 C ATOM 56 C ALA A 313 4.318 0.447 -6.638 1.00 53.24 C ATOM 57 O ALA A 313 4.309 1.626 -6.996 1.00 64.55 O ATOM 58 CB ALA A 313 2.138 -0.657 -6.101 1.00 45.52 C ATOM 0 H ALA A 313 3.441 -2.597 -6.863 1.00 25.40 H new ATOM 0 HA ALA A 313 2.833 -0.130 -8.054 1.00 64.25 H new ATOM 0 HB1 ALA A 313 1.716 0.327 -5.895 1.00 45.52 H new ATOM 0 HB2 ALA A 313 1.359 -1.312 -6.490 1.00 45.52 H new ATOM 0 HB3 ALA A 313 2.540 -1.079 -5.180 1.00 45.52 H new ATOM 64 N THR A 314 5.235 -0.051 -5.815 1.00 70.43 N ATOM 65 CA THR A 314 6.306 0.775 -5.273 1.00 51.44 C ATOM 66 C THR A 314 7.045 1.515 -6.383 1.00 71.40 C ATOM 67 O THR A 314 7.472 2.655 -6.204 1.00 51.43 O ATOM 68 CB THR A 314 7.316 -0.068 -4.473 1.00 1.34 C ATOM 69 OG1 THR A 314 6.655 -0.719 -3.382 1.00 1.21 O ATOM 70 CG2 THR A 314 8.446 0.802 -3.941 1.00 73.24 C ATOM 0 H THR A 314 5.257 -1.024 -5.509 1.00 70.43 H new ATOM 0 HA THR A 314 5.839 1.499 -4.605 1.00 51.44 H new ATOM 0 HB THR A 314 7.739 -0.818 -5.141 1.00 1.34 H new ATOM 0 HG1 THR A 314 7.304 -1.255 -2.879 1.00 1.21 H new ATOM 0 HG21 THR A 314 9.147 0.185 -3.379 1.00 73.24 H new ATOM 0 HG22 THR A 314 8.966 1.274 -4.775 1.00 73.24 H new ATOM 0 HG23 THR A 314 8.036 1.572 -3.287 1.00 73.24 H new ATOM 78 N ARG A 315 7.192 0.858 -7.529 1.00 52.01 N ATOM 79 CA ARG A 315 7.880 1.454 -8.668 1.00 61.40 C ATOM 80 C ARG A 315 7.128 2.680 -9.177 1.00 4.33 C ATOM 81 O ARG A 315 7.637 3.799 -9.117 1.00 54.53 O ATOM 82 CB ARG A 315 8.028 0.429 -9.795 1.00 13.34 C ATOM 83 CG ARG A 315 9.040 -0.664 -9.495 1.00 20.12 C ATOM 84 CD ARG A 315 9.660 -1.214 -10.770 1.00 33.42 C ATOM 85 NE ARG A 315 8.855 -2.286 -11.351 1.00 42.21 N ATOM 86 CZ ARG A 315 9.145 -2.881 -12.503 1.00 4.42 C ATOM 87 NH1 ARG A 315 10.215 -2.511 -13.193 1.00 5.53 N ATOM 88 NH2 ARG A 315 8.365 -3.848 -12.966 1.00 73.15 N ATOM 0 H ARG A 315 6.844 -0.087 -7.693 1.00 52.01 H new ATOM 0 HA ARG A 315 8.871 1.768 -8.338 1.00 61.40 H new ATOM 0 HB2 ARG A 315 7.058 -0.029 -9.988 1.00 13.34 H new ATOM 0 HB3 ARG A 315 8.324 0.946 -10.708 1.00 13.34 H new ATOM 0 HG2 ARG A 315 9.824 -0.268 -8.849 1.00 20.12 H new ATOM 0 HG3 ARG A 315 8.554 -1.472 -8.948 1.00 20.12 H new ATOM 0 HD2 ARG A 315 9.770 -0.409 -11.496 1.00 33.42 H new ATOM 0 HD3 ARG A 315 10.661 -1.588 -10.555 1.00 33.42 H new ATOM 0 HE ARG A 315 8.025 -2.594 -10.845 1.00 42.21 H new ATOM 0 HH11 ARG A 315 10.818 -1.768 -12.840 1.00 5.53 H new ATOM 0 HH12 ARG A 315 10.435 -2.969 -14.077 1.00 5.53 H new ATOM 0 HH21 ARG A 315 7.541 -4.136 -12.438 1.00 73.15 H new ATOM 0 HH22 ARG A 315 8.589 -4.304 -13.851 1.00 73.15 H new ATOM 102 N GLN A 316 5.917 2.460 -9.677 1.00 13.25 N ATOM 103 CA GLN A 316 5.096 3.548 -10.197 1.00 23.35 C ATOM 104 C GLN A 316 4.943 4.657 -9.161 1.00 34.20 C ATOM 105 O GLN A 316 4.941 5.840 -9.500 1.00 32.21 O ATOM 106 CB GLN A 316 3.719 3.024 -10.609 1.00 4.15 C ATOM 107 CG GLN A 316 2.993 2.283 -9.498 1.00 11.24 C ATOM 108 CD GLN A 316 1.625 1.789 -9.924 1.00 34.43 C ATOM 109 OE1 GLN A 316 1.494 0.707 -10.498 1.00 52.53 O ATOM 110 NE2 GLN A 316 0.595 2.579 -9.643 1.00 43.44 N ATOM 0 H GLN A 316 5.482 1.539 -9.733 1.00 13.25 H new ATOM 0 HA GLN A 316 5.596 3.961 -11.073 1.00 23.35 H new ATOM 0 HB2 GLN A 316 3.104 3.862 -10.938 1.00 4.15 H new ATOM 0 HB3 GLN A 316 3.834 2.358 -11.464 1.00 4.15 H new ATOM 0 HG2 GLN A 316 3.598 1.435 -9.177 1.00 11.24 H new ATOM 0 HG3 GLN A 316 2.885 2.942 -8.637 1.00 11.24 H new ATOM 0 HE21 GLN A 316 0.749 3.467 -9.166 1.00 43.44 H new ATOM 0 HE22 GLN A 316 -0.350 2.297 -9.904 1.00 43.44 H new ATOM 119 N ALA A 317 4.813 4.266 -7.897 1.00 65.03 N ATOM 120 CA ALA A 317 4.661 5.227 -6.812 1.00 52.22 C ATOM 121 C ALA A 317 5.956 5.996 -6.574 1.00 53.51 C ATOM 122 O ALA A 317 5.933 7.169 -6.203 1.00 15.43 O ATOM 123 CB ALA A 317 4.223 4.520 -5.538 1.00 60.23 C ATOM 0 H ALA A 317 4.810 3.290 -7.600 1.00 65.03 H new ATOM 0 HA ALA A 317 3.892 5.943 -7.100 1.00 52.22 H new ATOM 0 HB1 ALA A 317 4.113 5.250 -4.736 1.00 60.23 H new ATOM 0 HB2 ALA A 317 3.269 4.022 -5.708 1.00 60.23 H new ATOM 0 HB3 ALA A 317 4.973 3.781 -5.256 1.00 60.23 H new ATOM 129 N ALA A 318 7.084 5.328 -6.790 1.00 31.03 N ATOM 130 CA ALA A 318 8.389 5.950 -6.600 1.00 35.33 C ATOM 131 C ALA A 318 8.661 6.994 -7.677 1.00 63.21 C ATOM 132 O ALA A 318 9.318 8.004 -7.424 1.00 74.42 O ATOM 133 CB ALA A 318 9.482 4.892 -6.598 1.00 61.13 C ATOM 0 H ALA A 318 7.121 4.356 -7.097 1.00 31.03 H new ATOM 0 HA ALA A 318 8.387 6.455 -5.634 1.00 35.33 H new ATOM 0 HB1 ALA A 318 10.451 5.370 -6.455 1.00 61.13 H new ATOM 0 HB2 ALA A 318 9.303 4.186 -5.787 1.00 61.13 H new ATOM 0 HB3 ALA A 318 9.476 4.361 -7.550 1.00 61.13 H new ATOM 139 N ALA A 319 8.154 6.743 -8.879 1.00 53.15 N ATOM 140 CA ALA A 319 8.342 7.662 -9.995 1.00 13.41 C ATOM 141 C ALA A 319 7.282 8.759 -9.987 1.00 60.13 C ATOM 142 O ALA A 319 7.600 9.942 -10.105 1.00 60.10 O ATOM 143 CB ALA A 319 8.311 6.905 -11.314 1.00 72.01 C ATOM 0 H ALA A 319 7.610 5.911 -9.105 1.00 53.15 H new ATOM 0 HA ALA A 319 9.318 8.135 -9.884 1.00 13.41 H new ATOM 0 HB1 ALA A 319 8.453 7.604 -12.138 1.00 72.01 H new ATOM 0 HB2 ALA A 319 9.109 6.163 -11.326 1.00 72.01 H new ATOM 0 HB3 ALA A 319 7.349 6.405 -11.424 1.00 72.01 H new ATOM 149 N GLN A 320 6.023 8.357 -9.849 1.00 14.32 N ATOM 150 CA GLN A 320 4.916 9.307 -9.828 1.00 5.14 C ATOM 151 C GLN A 320 5.170 10.415 -8.811 1.00 13.04 C ATOM 152 O GLN A 320 4.733 11.551 -8.995 1.00 31.52 O ATOM 153 CB GLN A 320 3.606 8.589 -9.501 1.00 70.22 C ATOM 154 CG GLN A 320 3.421 8.303 -8.020 1.00 2.44 C ATOM 155 CD GLN A 320 2.714 9.430 -7.292 1.00 73.31 C ATOM 156 OE1 GLN A 320 3.352 10.292 -6.688 1.00 45.04 O ATOM 157 NE2 GLN A 320 1.387 9.428 -7.346 1.00 11.11 N ATOM 0 H GLN A 320 5.744 7.381 -9.750 1.00 14.32 H new ATOM 0 HA GLN A 320 4.838 9.757 -10.817 1.00 5.14 H new ATOM 0 HB2 GLN A 320 2.772 9.196 -9.852 1.00 70.22 H new ATOM 0 HB3 GLN A 320 3.570 7.649 -10.051 1.00 70.22 H new ATOM 0 HG2 GLN A 320 2.849 7.383 -7.900 1.00 2.44 H new ATOM 0 HG3 GLN A 320 4.396 8.134 -7.562 1.00 2.44 H new ATOM 0 HE21 GLN A 320 0.899 8.694 -7.858 1.00 11.11 H new ATOM 0 HE22 GLN A 320 0.856 10.161 -6.875 1.00 11.11 H new ATOM 166 N GLU A 321 5.878 10.076 -7.737 1.00 54.25 N ATOM 167 CA GLU A 321 6.187 11.043 -6.691 1.00 3.21 C ATOM 168 C GLU A 321 7.315 11.974 -7.127 1.00 13.50 C ATOM 169 O GLU A 321 7.315 13.160 -6.799 1.00 4.34 O ATOM 170 CB GLU A 321 6.577 10.322 -5.399 1.00 4.31 C ATOM 171 CG GLU A 321 6.374 11.162 -4.149 1.00 24.54 C ATOM 172 CD GLU A 321 6.783 10.432 -2.884 1.00 33.14 C ATOM 173 OE1 GLU A 321 6.084 10.585 -1.860 1.00 23.15 O ATOM 174 OE2 GLU A 321 7.800 9.709 -2.917 1.00 60.42 O ATOM 0 H GLU A 321 6.247 9.140 -7.569 1.00 54.25 H new ATOM 0 HA GLU A 321 5.294 11.642 -6.510 1.00 3.21 H new ATOM 0 HB2 GLU A 321 5.990 9.408 -5.312 1.00 4.31 H new ATOM 0 HB3 GLU A 321 7.624 10.024 -5.461 1.00 4.31 H new ATOM 0 HG2 GLU A 321 6.952 12.082 -4.236 1.00 24.54 H new ATOM 0 HG3 GLU A 321 5.325 11.450 -4.075 1.00 24.54 H new ATOM 181 N GLU A 322 8.273 11.427 -7.868 1.00 42.31 N ATOM 182 CA GLU A 322 9.407 12.209 -8.348 1.00 20.33 C ATOM 183 C GLU A 322 8.982 13.151 -9.470 1.00 3.50 C ATOM 184 O GLU A 322 9.281 14.345 -9.438 1.00 54.52 O ATOM 185 CB GLU A 322 10.522 11.283 -8.839 1.00 73.21 C ATOM 186 CG GLU A 322 11.711 12.022 -9.428 1.00 65.21 C ATOM 187 CD GLU A 322 12.730 11.086 -10.050 1.00 53.13 C ATOM 188 OE1 GLU A 322 12.604 10.788 -11.256 1.00 55.23 O ATOM 189 OE2 GLU A 322 13.653 10.652 -9.330 1.00 43.02 O ATOM 0 H GLU A 322 8.287 10.447 -8.149 1.00 42.31 H new ATOM 0 HA GLU A 322 9.781 12.807 -7.517 1.00 20.33 H new ATOM 0 HB2 GLU A 322 10.864 10.667 -8.007 1.00 73.21 H new ATOM 0 HB3 GLU A 322 10.116 10.607 -9.591 1.00 73.21 H new ATOM 0 HG2 GLU A 322 11.359 12.724 -10.184 1.00 65.21 H new ATOM 0 HG3 GLU A 322 12.192 12.610 -8.646 1.00 65.21 H new ATOM 196 N ARG A 323 8.285 12.606 -10.461 1.00 33.21 N ATOM 197 CA ARG A 323 7.820 13.397 -11.594 1.00 63.32 C ATOM 198 C ARG A 323 6.969 14.572 -11.124 1.00 55.31 C ATOM 199 O ARG A 323 7.317 15.733 -11.344 1.00 64.11 O ATOM 200 CB ARG A 323 7.015 12.523 -12.558 1.00 22.24 C ATOM 201 CG ARG A 323 7.775 11.303 -13.054 1.00 1.44 C ATOM 202 CD ARG A 323 7.312 10.885 -14.440 1.00 62.42 C ATOM 203 NE ARG A 323 7.548 11.928 -15.434 1.00 42.14 N ATOM 204 CZ ARG A 323 7.100 11.868 -16.684 1.00 24.25 C ATOM 205 NH1 ARG A 323 6.396 10.820 -17.089 1.00 65.01 N ATOM 206 NH2 ARG A 323 7.356 12.857 -17.530 1.00 1.32 N ATOM 0 H ARG A 323 8.030 11.619 -10.502 1.00 33.21 H new ATOM 0 HA ARG A 323 8.694 13.789 -12.114 1.00 63.32 H new ATOM 0 HB2 ARG A 323 6.102 12.195 -12.061 1.00 22.24 H new ATOM 0 HB3 ARG A 323 6.713 13.125 -13.415 1.00 22.24 H new ATOM 0 HG2 ARG A 323 8.843 11.522 -13.076 1.00 1.44 H new ATOM 0 HG3 ARG A 323 7.634 10.477 -12.357 1.00 1.44 H new ATOM 0 HD2 ARG A 323 7.834 9.976 -14.738 1.00 62.42 H new ATOM 0 HD3 ARG A 323 6.249 10.647 -14.410 1.00 62.42 H new ATOM 0 HE ARG A 323 8.086 12.748 -15.154 1.00 42.14 H new ATOM 0 HH11 ARG A 323 6.197 10.058 -16.441 1.00 65.01 H new ATOM 0 HH12 ARG A 323 6.053 10.776 -18.049 1.00 65.01 H new ATOM 0 HH21 ARG A 323 7.897 13.665 -17.222 1.00 1.32 H new ATOM 0 HH22 ARG A 323 7.012 12.810 -18.489 1.00 1.32 H new ATOM 220 N LEU A 324 5.850 14.264 -10.477 1.00 2.13 N ATOM 221 CA LEU A 324 4.948 15.295 -9.976 1.00 35.35 C ATOM 222 C LEU A 324 5.702 16.316 -9.131 1.00 25.02 C ATOM 223 O LEU A 324 5.404 17.509 -9.169 1.00 4.33 O ATOM 224 CB LEU A 324 3.827 14.661 -9.149 1.00 51.03 C ATOM 225 CG LEU A 324 2.572 14.253 -9.922 1.00 11.13 C ATOM 226 CD1 LEU A 324 2.937 13.373 -11.107 1.00 0.10 C ATOM 227 CD2 LEU A 324 1.591 13.537 -9.005 1.00 70.52 C ATOM 0 H LEU A 324 5.546 13.309 -10.287 1.00 2.13 H new ATOM 0 HA LEU A 324 4.514 15.810 -10.833 1.00 35.35 H new ATOM 0 HB2 LEU A 324 4.226 13.778 -8.650 1.00 51.03 H new ATOM 0 HB3 LEU A 324 3.536 15.364 -8.368 1.00 51.03 H new ATOM 0 HG LEU A 324 2.092 15.155 -10.301 1.00 11.13 H new ATOM 0 HD11 LEU A 324 2.031 13.093 -11.645 1.00 0.10 H new ATOM 0 HD12 LEU A 324 3.601 13.920 -11.776 1.00 0.10 H new ATOM 0 HD13 LEU A 324 3.440 12.474 -10.751 1.00 0.10 H new ATOM 0 HD21 LEU A 324 0.704 13.254 -9.571 1.00 70.52 H new ATOM 0 HD22 LEU A 324 2.061 12.643 -8.596 1.00 70.52 H new ATOM 0 HD23 LEU A 324 1.304 14.201 -8.190 1.00 70.52 H new ATOM 239 N ALA A 325 6.683 15.839 -8.371 1.00 33.23 N ATOM 240 CA ALA A 325 7.483 16.711 -7.520 1.00 63.32 C ATOM 241 C ALA A 325 8.165 17.802 -8.339 1.00 75.11 C ATOM 242 O ALA A 325 8.269 18.947 -7.900 1.00 10.23 O ATOM 243 CB ALA A 325 8.518 15.898 -6.756 1.00 61.34 C ATOM 0 H ALA A 325 6.942 14.854 -8.328 1.00 33.23 H new ATOM 0 HA ALA A 325 6.815 17.193 -6.806 1.00 63.32 H new ATOM 0 HB1 ALA A 325 9.108 16.562 -6.125 1.00 61.34 H new ATOM 0 HB2 ALA A 325 8.013 15.159 -6.134 1.00 61.34 H new ATOM 0 HB3 ALA A 325 9.175 15.390 -7.462 1.00 61.34 H new ATOM 249 N ASP A 326 8.627 17.439 -9.530 1.00 51.25 N ATOM 250 CA ASP A 326 9.298 18.388 -10.411 1.00 62.03 C ATOM 251 C ASP A 326 8.449 19.640 -10.609 1.00 45.02 C ATOM 252 O ASP A 326 8.878 20.750 -10.291 1.00 42.24 O ATOM 253 CB ASP A 326 9.595 17.739 -11.764 1.00 72.21 C ATOM 254 CG ASP A 326 10.568 18.551 -12.595 1.00 45.10 C ATOM 255 OD1 ASP A 326 10.832 18.160 -13.752 1.00 13.32 O ATOM 256 OD2 ASP A 326 11.067 19.578 -12.089 1.00 14.11 O ATOM 0 H ASP A 326 8.549 16.495 -9.908 1.00 51.25 H new ATOM 0 HA ASP A 326 10.238 18.679 -9.942 1.00 62.03 H new ATOM 0 HB2 ASP A 326 10.004 16.741 -11.603 1.00 72.21 H new ATOM 0 HB3 ASP A 326 8.664 17.616 -12.317 1.00 72.21 H new ATOM 261 N LEU A 327 7.245 19.454 -11.137 1.00 15.44 N ATOM 262 CA LEU A 327 6.335 20.569 -11.378 1.00 40.13 C ATOM 263 C LEU A 327 5.999 21.290 -10.077 1.00 31.45 C ATOM 264 O LEU A 327 5.983 22.519 -10.022 1.00 71.13 O ATOM 265 CB LEU A 327 5.052 20.071 -12.045 1.00 34.43 C ATOM 266 CG LEU A 327 4.125 21.149 -12.607 1.00 14.03 C ATOM 267 CD1 LEU A 327 4.873 22.037 -13.589 1.00 13.01 C ATOM 268 CD2 LEU A 327 2.912 20.516 -13.274 1.00 25.41 C ATOM 0 H LEU A 327 6.876 18.542 -11.407 1.00 15.44 H new ATOM 0 HA LEU A 327 6.833 21.274 -12.043 1.00 40.13 H new ATOM 0 HB2 LEU A 327 5.326 19.397 -12.857 1.00 34.43 H new ATOM 0 HB3 LEU A 327 4.493 19.483 -11.317 1.00 34.43 H new ATOM 0 HG LEU A 327 3.777 21.769 -11.780 1.00 14.03 H new ATOM 0 HD11 LEU A 327 4.197 22.798 -13.979 1.00 13.01 H new ATOM 0 HD12 LEU A 327 5.708 22.519 -13.081 1.00 13.01 H new ATOM 0 HD13 LEU A 327 5.251 21.431 -14.413 1.00 13.01 H new ATOM 0 HD21 LEU A 327 2.264 21.299 -13.668 1.00 25.41 H new ATOM 0 HD22 LEU A 327 3.240 19.872 -14.090 1.00 25.41 H new ATOM 0 HD23 LEU A 327 2.362 19.924 -12.543 1.00 25.41 H new ATOM 280 N ALA A 328 5.733 20.516 -9.029 1.00 70.44 N ATOM 281 CA ALA A 328 5.402 21.080 -7.727 1.00 34.20 C ATOM 282 C ALA A 328 6.445 22.102 -7.290 1.00 3.11 C ATOM 283 O ALA A 328 6.109 23.149 -6.737 1.00 50.45 O ATOM 284 CB ALA A 328 5.276 19.974 -6.689 1.00 41.23 C ATOM 0 H ALA A 328 5.741 19.496 -9.057 1.00 70.44 H new ATOM 0 HA ALA A 328 4.444 21.592 -7.814 1.00 34.20 H new ATOM 0 HB1 ALA A 328 5.028 20.410 -5.721 1.00 41.23 H new ATOM 0 HB2 ALA A 328 4.488 19.283 -6.988 1.00 41.23 H new ATOM 0 HB3 ALA A 328 6.221 19.436 -6.614 1.00 41.23 H new ATOM 290 N SER A 329 7.713 21.791 -7.540 1.00 61.24 N ATOM 291 CA SER A 329 8.807 22.681 -7.168 1.00 74.24 C ATOM 292 C SER A 329 8.834 23.913 -8.068 1.00 22.12 C ATOM 293 O SER A 329 9.141 25.017 -7.618 1.00 30.14 O ATOM 294 CB SER A 329 10.144 21.943 -7.254 1.00 2.14 C ATOM 295 OG SER A 329 11.165 22.658 -6.579 1.00 51.34 O ATOM 0 H SER A 329 8.008 20.929 -7.999 1.00 61.24 H new ATOM 0 HA SER A 329 8.645 23.006 -6.140 1.00 74.24 H new ATOM 0 HB2 SER A 329 10.043 20.949 -6.819 1.00 2.14 H new ATOM 0 HB3 SER A 329 10.421 21.807 -8.299 1.00 2.14 H new ATOM 0 HG SER A 329 12.009 22.165 -6.647 1.00 51.34 H new ATOM 301 N ASP A 330 8.512 23.715 -9.341 1.00 55.11 N ATOM 302 CA ASP A 330 8.498 24.809 -10.305 1.00 52.22 C ATOM 303 C ASP A 330 7.655 25.974 -9.794 1.00 23.42 C ATOM 304 O ASP A 330 8.140 27.100 -9.676 1.00 21.24 O ATOM 305 CB ASP A 330 7.957 24.324 -11.651 1.00 53.42 C ATOM 306 CG ASP A 330 8.233 25.305 -12.773 1.00 42.45 C ATOM 307 OD1 ASP A 330 7.359 26.154 -13.049 1.00 3.44 O ATOM 308 OD2 ASP A 330 9.324 25.225 -13.376 1.00 73.22 O ATOM 0 H ASP A 330 8.257 22.807 -9.730 1.00 55.11 H new ATOM 0 HA ASP A 330 9.523 25.156 -10.438 1.00 52.22 H new ATOM 0 HB2 ASP A 330 8.407 23.362 -11.895 1.00 53.42 H new ATOM 0 HB3 ASP A 330 6.882 24.162 -11.570 1.00 53.42 H new ATOM 313 N LEU A 331 6.392 25.695 -9.493 1.00 13.41 N ATOM 314 CA LEU A 331 5.480 26.720 -8.995 1.00 24.11 C ATOM 315 C LEU A 331 5.839 27.120 -7.567 1.00 51.34 C ATOM 316 O LEU A 331 5.721 28.287 -7.190 1.00 43.03 O ATOM 317 CB LEU A 331 4.037 26.216 -9.048 1.00 40.12 C ATOM 318 CG LEU A 331 3.786 24.834 -8.445 1.00 30.23 C ATOM 319 CD1 LEU A 331 2.774 24.921 -7.313 1.00 55.13 C ATOM 320 CD2 LEU A 331 3.310 23.863 -9.515 1.00 55.04 C ATOM 0 H LEU A 331 5.976 24.768 -9.585 1.00 13.41 H new ATOM 0 HA LEU A 331 5.575 27.598 -9.634 1.00 24.11 H new ATOM 0 HB2 LEU A 331 3.403 26.936 -8.531 1.00 40.12 H new ATOM 0 HB3 LEU A 331 3.717 26.199 -10.090 1.00 40.12 H new ATOM 0 HG LEU A 331 4.725 24.461 -8.037 1.00 30.23 H new ATOM 0 HD11 LEU A 331 2.608 23.928 -6.896 1.00 55.13 H new ATOM 0 HD12 LEU A 331 3.155 25.582 -6.535 1.00 55.13 H new ATOM 0 HD13 LEU A 331 1.833 25.316 -7.696 1.00 55.13 H new ATOM 0 HD21 LEU A 331 3.137 22.885 -9.067 1.00 55.04 H new ATOM 0 HD22 LEU A 331 2.382 24.231 -9.954 1.00 55.04 H new ATOM 0 HD23 LEU A 331 4.070 23.777 -10.292 1.00 55.04 H new ATOM 332 N LEU A 332 6.279 26.146 -6.778 1.00 54.42 N ATOM 333 CA LEU A 332 6.657 26.397 -5.392 1.00 2.21 C ATOM 334 C LEU A 332 7.729 27.479 -5.307 1.00 64.13 C ATOM 335 O LEU A 332 7.537 28.510 -4.661 1.00 71.22 O ATOM 336 CB LEU A 332 7.163 25.109 -4.740 1.00 4.42 C ATOM 337 CG LEU A 332 7.676 25.240 -3.305 1.00 70.01 C ATOM 338 CD1 LEU A 332 6.535 25.072 -2.313 1.00 64.54 C ATOM 339 CD2 LEU A 332 8.774 24.221 -3.036 1.00 51.22 C ATOM 0 H LEU A 332 6.383 25.176 -7.074 1.00 54.42 H new ATOM 0 HA LEU A 332 5.773 26.745 -4.857 1.00 2.21 H new ATOM 0 HB2 LEU A 332 6.354 24.378 -4.750 1.00 4.42 H new ATOM 0 HB3 LEU A 332 7.966 24.705 -5.356 1.00 4.42 H new ATOM 0 HG LEU A 332 8.096 26.238 -3.179 1.00 70.01 H new ATOM 0 HD11 LEU A 332 6.919 25.168 -1.297 1.00 64.54 H new ATOM 0 HD12 LEU A 332 5.782 25.840 -2.491 1.00 64.54 H new ATOM 0 HD13 LEU A 332 6.085 24.087 -2.439 1.00 64.54 H new ATOM 0 HD21 LEU A 332 9.127 24.329 -2.010 1.00 51.22 H new ATOM 0 HD22 LEU A 332 8.380 23.215 -3.180 1.00 51.22 H new ATOM 0 HD23 LEU A 332 9.602 24.388 -3.724 1.00 51.22 H new ATOM 351 N LEU A 333 8.858 27.238 -5.965 1.00 40.44 N ATOM 352 CA LEU A 333 9.961 28.193 -5.967 1.00 40.10 C ATOM 353 C LEU A 333 9.480 29.580 -6.381 1.00 10.23 C ATOM 354 O LEU A 333 9.959 30.591 -5.868 1.00 15.41 O ATOM 355 CB LEU A 333 11.068 27.722 -6.912 1.00 30.13 C ATOM 356 CG LEU A 333 12.215 26.944 -6.266 1.00 60.53 C ATOM 357 CD1 LEU A 333 11.733 25.584 -5.785 1.00 30.12 C ATOM 358 CD2 LEU A 333 13.370 26.786 -7.245 1.00 12.22 C ATOM 0 H LEU A 333 9.034 26.390 -6.504 1.00 40.44 H new ATOM 0 HA LEU A 333 10.358 28.254 -4.954 1.00 40.10 H new ATOM 0 HB2 LEU A 333 10.619 27.095 -7.682 1.00 30.13 H new ATOM 0 HB3 LEU A 333 11.485 28.595 -7.415 1.00 30.13 H new ATOM 0 HG LEU A 333 12.570 27.507 -5.403 1.00 60.53 H new ATOM 0 HD11 LEU A 333 12.563 25.045 -5.328 1.00 30.12 H new ATOM 0 HD12 LEU A 333 10.939 25.718 -5.050 1.00 30.12 H new ATOM 0 HD13 LEU A 333 11.351 25.013 -6.631 1.00 30.12 H new ATOM 0 HD21 LEU A 333 14.177 26.230 -6.768 1.00 12.22 H new ATOM 0 HD22 LEU A 333 13.028 26.245 -8.127 1.00 12.22 H new ATOM 0 HD23 LEU A 333 13.733 27.770 -7.541 1.00 12.22 H new ATOM 370 N GLN A 334 8.530 29.619 -7.309 1.00 71.24 N ATOM 371 CA GLN A 334 7.983 30.882 -7.790 1.00 43.22 C ATOM 372 C GLN A 334 7.257 31.622 -6.672 1.00 1.13 C ATOM 373 O GLN A 334 7.318 32.849 -6.584 1.00 33.33 O ATOM 374 CB GLN A 334 7.028 30.637 -8.959 1.00 60.35 C ATOM 375 CG GLN A 334 6.455 31.913 -9.555 1.00 71.40 C ATOM 376 CD GLN A 334 7.423 32.605 -10.494 1.00 23.32 C ATOM 377 OE1 GLN A 334 7.695 33.798 -10.355 1.00 24.42 O ATOM 378 NE2 GLN A 334 7.950 31.858 -11.457 1.00 41.03 N ATOM 0 H GLN A 334 8.123 28.791 -7.743 1.00 71.24 H new ATOM 0 HA GLN A 334 8.813 31.501 -8.132 1.00 43.22 H new ATOM 0 HB2 GLN A 334 7.555 30.087 -9.738 1.00 60.35 H new ATOM 0 HB3 GLN A 334 6.208 30.004 -8.621 1.00 60.35 H new ATOM 0 HG2 GLN A 334 5.538 31.677 -10.094 1.00 71.40 H new ATOM 0 HG3 GLN A 334 6.185 32.596 -8.750 1.00 71.40 H new ATOM 0 HE21 GLN A 334 7.696 30.873 -11.535 1.00 41.03 H new ATOM 0 HE22 GLN A 334 8.609 32.269 -12.119 1.00 41.03 H new ATOM 387 N TYR A 335 6.571 30.869 -5.819 1.00 72.04 N ATOM 388 CA TYR A 335 5.830 31.454 -4.708 1.00 24.32 C ATOM 389 C TYR A 335 6.753 32.270 -3.808 1.00 41.32 C ATOM 390 O TYR A 335 6.358 33.305 -3.269 1.00 41.11 O ATOM 391 CB TYR A 335 5.144 30.357 -3.892 1.00 31.02 C ATOM 392 CG TYR A 335 3.948 30.845 -3.106 1.00 52.55 C ATOM 393 CD1 TYR A 335 4.111 31.522 -1.904 1.00 21.34 C ATOM 394 CD2 TYR A 335 2.655 30.630 -3.566 1.00 54.04 C ATOM 395 CE1 TYR A 335 3.021 31.969 -1.182 1.00 42.32 C ATOM 396 CE2 TYR A 335 1.559 31.075 -2.852 1.00 41.34 C ATOM 397 CZ TYR A 335 1.747 31.744 -1.661 1.00 5.11 C ATOM 398 OH TYR A 335 0.659 32.188 -0.946 1.00 53.00 O ATOM 0 H TYR A 335 6.513 29.852 -5.876 1.00 72.04 H new ATOM 0 HA TYR A 335 5.072 32.120 -5.120 1.00 24.32 H new ATOM 0 HB2 TYR A 335 4.826 29.561 -4.565 1.00 31.02 H new ATOM 0 HB3 TYR A 335 5.868 29.922 -3.203 1.00 31.02 H new ATOM 0 HD1 TYR A 335 5.107 31.702 -1.527 1.00 21.34 H new ATOM 0 HD2 TYR A 335 2.504 30.106 -4.498 1.00 54.04 H new ATOM 0 HE1 TYR A 335 3.166 32.492 -0.248 1.00 42.32 H new ATOM 0 HE2 TYR A 335 0.561 30.900 -3.225 1.00 41.34 H new ATOM 0 HH TYR A 335 -0.164 31.950 -1.421 1.00 53.00 H new ATOM 408 N LEU A 336 7.985 31.798 -3.651 1.00 52.20 N ATOM 409 CA LEU A 336 8.966 32.484 -2.817 1.00 64.35 C ATOM 410 C LEU A 336 9.225 33.896 -3.331 1.00 42.41 C ATOM 411 O LEU A 336 8.893 34.880 -2.668 1.00 51.13 O ATOM 412 CB LEU A 336 10.276 31.694 -2.783 1.00 33.53 C ATOM 413 CG LEU A 336 10.142 30.181 -2.604 1.00 62.33 C ATOM 414 CD1 LEU A 336 11.514 29.531 -2.515 1.00 21.34 C ATOM 415 CD2 LEU A 336 9.316 29.860 -1.367 1.00 3.51 C ATOM 0 H LEU A 336 8.328 30.944 -4.090 1.00 52.20 H new ATOM 0 HA LEU A 336 8.563 32.553 -1.807 1.00 64.35 H new ATOM 0 HB2 LEU A 336 10.816 31.884 -3.711 1.00 33.53 H new ATOM 0 HB3 LEU A 336 10.891 32.083 -1.971 1.00 33.53 H new ATOM 0 HG LEU A 336 9.626 29.776 -3.475 1.00 62.33 H new ATOM 0 HD11 LEU A 336 11.399 28.455 -2.388 1.00 21.34 H new ATOM 0 HD12 LEU A 336 12.071 29.731 -3.430 1.00 21.34 H new ATOM 0 HD13 LEU A 336 12.056 29.941 -1.663 1.00 21.34 H new ATOM 0 HD21 LEU A 336 9.232 28.779 -1.256 1.00 3.51 H new ATOM 0 HD22 LEU A 336 9.803 30.278 -0.486 1.00 3.51 H new ATOM 0 HD23 LEU A 336 8.321 30.293 -1.472 1.00 3.51 H new ATOM 427 N LEU A 337 9.818 33.990 -4.516 1.00 42.01 N ATOM 428 CA LEU A 337 10.120 35.283 -5.121 1.00 33.13 C ATOM 429 C LEU A 337 8.847 36.098 -5.326 1.00 1.32 C ATOM 430 O LEU A 337 8.801 37.285 -5.003 1.00 50.15 O ATOM 431 CB LEU A 337 10.835 35.088 -6.459 1.00 22.14 C ATOM 432 CG LEU A 337 11.014 36.343 -7.313 1.00 42.23 C ATOM 433 CD1 LEU A 337 12.303 36.263 -8.117 1.00 30.34 C ATOM 434 CD2 LEU A 337 9.819 36.535 -8.236 1.00 65.11 C ATOM 0 H LEU A 337 10.099 33.186 -5.077 1.00 42.01 H new ATOM 0 HA LEU A 337 10.775 35.830 -4.443 1.00 33.13 H new ATOM 0 HB2 LEU A 337 11.819 34.662 -6.264 1.00 22.14 H new ATOM 0 HB3 LEU A 337 10.280 34.353 -7.041 1.00 22.14 H new ATOM 0 HG LEU A 337 11.077 37.205 -6.649 1.00 42.23 H new ATOM 0 HD11 LEU A 337 12.413 37.165 -8.719 1.00 30.34 H new ATOM 0 HD12 LEU A 337 13.151 36.174 -7.438 1.00 30.34 H new ATOM 0 HD13 LEU A 337 12.270 35.392 -8.772 1.00 30.34 H new ATOM 0 HD21 LEU A 337 9.964 37.433 -8.836 1.00 65.11 H new ATOM 0 HD22 LEU A 337 9.724 35.671 -8.893 1.00 65.11 H new ATOM 0 HD23 LEU A 337 8.912 36.639 -7.640 1.00 65.11 H new ATOM 446 N GLN A 338 7.816 35.452 -5.862 1.00 5.33 N ATOM 447 CA GLN A 338 6.543 36.118 -6.108 1.00 33.02 C ATOM 448 C GLN A 338 6.045 36.823 -4.850 1.00 41.24 C ATOM 449 O GLN A 338 5.554 37.949 -4.911 1.00 54.34 O ATOM 450 CB GLN A 338 5.499 35.107 -6.587 1.00 2.22 C ATOM 451 CG GLN A 338 4.230 35.750 -7.123 1.00 4.43 C ATOM 452 CD GLN A 338 3.708 35.061 -8.368 1.00 12.52 C ATOM 453 OE1 GLN A 338 3.354 35.714 -9.350 1.00 40.13 O ATOM 454 NE2 GLN A 338 3.657 33.735 -8.333 1.00 54.05 N ATOM 0 H GLN A 338 7.838 34.469 -6.134 1.00 5.33 H new ATOM 0 HA GLN A 338 6.698 36.867 -6.885 1.00 33.02 H new ATOM 0 HB2 GLN A 338 5.939 34.485 -7.367 1.00 2.22 H new ATOM 0 HB3 GLN A 338 5.240 34.446 -5.760 1.00 2.22 H new ATOM 0 HG2 GLN A 338 3.461 35.727 -6.350 1.00 4.43 H new ATOM 0 HG3 GLN A 338 4.425 36.799 -7.347 1.00 4.43 H new ATOM 0 HE21 GLN A 338 3.961 33.235 -7.498 1.00 54.05 H new ATOM 0 HE22 GLN A 338 3.314 33.216 -9.142 1.00 54.05 H new ATOM 463 N GLY A 339 6.176 36.152 -3.710 1.00 71.11 N ATOM 464 CA GLY A 339 5.734 36.730 -2.454 1.00 64.22 C ATOM 465 C GLY A 339 6.316 38.109 -2.214 1.00 62.14 C ATOM 466 O GLY A 339 5.621 39.011 -1.748 1.00 65.13 O ATOM 0 H GLY A 339 6.580 35.219 -3.634 1.00 71.11 H new ATOM 0 HA2 GLY A 339 4.646 36.792 -2.449 1.00 64.22 H new ATOM 0 HA3 GLY A 339 6.019 36.071 -1.634 1.00 64.22 H new ATOM 470 N GLY A 340 7.597 38.273 -2.532 1.00 72.13 N ATOM 471 CA GLY A 340 8.251 39.554 -2.340 1.00 13.12 C ATOM 472 C GLY A 340 8.051 40.489 -3.516 1.00 1.41 C ATOM 473 O GLY A 340 7.937 41.702 -3.341 1.00 3.13 O ATOM 0 H GLY A 340 8.193 37.541 -2.919 1.00 72.13 H new ATOM 0 HA2 GLY A 340 7.864 40.024 -1.436 1.00 13.12 H new ATOM 0 HA3 GLY A 340 9.318 39.394 -2.184 1.00 13.12 H new ATOM 477 N ALA A 341 8.010 39.925 -4.718 1.00 42.04 N ATOM 478 CA ALA A 341 7.823 40.717 -5.928 1.00 31.22 C ATOM 479 C ALA A 341 6.443 41.366 -5.951 1.00 3.02 C ATOM 480 O ALA A 341 6.286 42.496 -6.415 1.00 21.54 O ATOM 481 CB ALA A 341 8.021 39.850 -7.162 1.00 72.43 C ATOM 0 H ALA A 341 8.104 38.922 -4.880 1.00 42.04 H new ATOM 0 HA ALA A 341 8.570 41.511 -5.932 1.00 31.22 H new ATOM 0 HB1 ALA A 341 7.878 40.454 -8.058 1.00 72.43 H new ATOM 0 HB2 ALA A 341 9.030 39.438 -7.159 1.00 72.43 H new ATOM 0 HB3 ALA A 341 7.297 39.036 -7.155 1.00 72.43 H new ATOM 487 N ARG A 342 5.447 40.645 -5.448 1.00 74.21 N ATOM 488 CA ARG A 342 4.080 41.151 -5.413 1.00 74.51 C ATOM 489 C ARG A 342 3.937 42.261 -4.376 1.00 21.41 C ATOM 490 O ARG A 342 3.298 43.281 -4.630 1.00 11.12 O ATOM 491 CB ARG A 342 3.102 40.017 -5.100 1.00 34.41 C ATOM 492 CG ARG A 342 2.837 39.097 -6.281 1.00 23.23 C ATOM 493 CD ARG A 342 1.790 38.047 -5.945 1.00 73.23 C ATOM 494 NE ARG A 342 0.464 38.633 -5.771 1.00 14.15 N ATOM 495 CZ ARG A 342 -0.259 39.128 -6.770 1.00 4.15 C ATOM 496 NH1 ARG A 342 0.215 39.107 -8.008 1.00 13.31 N ATOM 497 NH2 ARG A 342 -1.457 39.645 -6.531 1.00 31.02 N ATOM 0 H ARG A 342 5.561 39.709 -5.059 1.00 74.21 H new ATOM 0 HA ARG A 342 3.847 41.563 -6.395 1.00 74.51 H new ATOM 0 HB2 ARG A 342 3.496 39.427 -4.272 1.00 34.41 H new ATOM 0 HB3 ARG A 342 2.157 40.445 -4.765 1.00 34.41 H new ATOM 0 HG2 ARG A 342 2.502 39.686 -7.135 1.00 23.23 H new ATOM 0 HG3 ARG A 342 3.764 38.606 -6.577 1.00 23.23 H new ATOM 0 HD2 ARG A 342 1.756 37.302 -6.740 1.00 73.23 H new ATOM 0 HD3 ARG A 342 2.079 37.526 -5.032 1.00 73.23 H new ATOM 0 HE ARG A 342 0.071 38.664 -4.830 1.00 14.15 H new ATOM 0 HH11 ARG A 342 1.136 38.710 -8.195 1.00 13.31 H new ATOM 0 HH12 ARG A 342 -0.341 39.487 -8.774 1.00 13.31 H new ATOM 0 HH21 ARG A 342 -1.824 39.663 -5.580 1.00 31.02 H new ATOM 0 HH22 ARG A 342 -2.011 40.025 -7.299 1.00 31.02 H new ATOM 511 N GLN A 343 4.536 42.053 -3.208 1.00 23.41 N ATOM 512 CA GLN A 343 4.475 43.035 -2.132 1.00 54.35 C ATOM 513 C GLN A 343 5.164 44.333 -2.541 1.00 24.14 C ATOM 514 O GLN A 343 4.565 45.407 -2.492 1.00 45.43 O ATOM 515 CB GLN A 343 5.122 42.476 -0.865 1.00 4.45 C ATOM 516 CG GLN A 343 4.248 41.477 -0.124 1.00 41.14 C ATOM 517 CD GLN A 343 3.054 42.129 0.543 1.00 15.15 C ATOM 518 OE1 GLN A 343 3.206 42.991 1.409 1.00 12.51 O ATOM 519 NE2 GLN A 343 1.855 41.720 0.144 1.00 61.21 N ATOM 0 H GLN A 343 5.069 41.213 -2.983 1.00 23.41 H new ATOM 0 HA GLN A 343 3.426 43.250 -1.929 1.00 54.35 H new ATOM 0 HB2 GLN A 343 6.064 41.995 -1.130 1.00 4.45 H new ATOM 0 HB3 GLN A 343 5.363 43.302 -0.196 1.00 4.45 H new ATOM 0 HG2 GLN A 343 3.899 40.717 -0.823 1.00 41.14 H new ATOM 0 HG3 GLN A 343 4.846 40.966 0.630 1.00 41.14 H new ATOM 0 HE21 GLN A 343 1.775 41.003 -0.577 1.00 61.21 H new ATOM 0 HE22 GLN A 343 1.015 42.123 0.558 1.00 61.21 H new ATOM 528 N ARG A 344 6.427 44.225 -2.942 1.00 12.32 N ATOM 529 CA ARG A 344 7.199 45.391 -3.357 1.00 34.53 C ATOM 530 C ARG A 344 6.470 46.163 -4.453 1.00 65.52 C ATOM 531 O ARG A 344 6.466 47.393 -4.462 1.00 32.30 O ATOM 532 CB ARG A 344 8.582 44.963 -3.852 1.00 14.05 C ATOM 533 CG ARG A 344 9.389 46.099 -4.458 1.00 62.44 C ATOM 534 CD ARG A 344 10.800 45.653 -4.810 1.00 10.10 C ATOM 535 NE ARG A 344 11.419 46.528 -5.802 1.00 1.11 N ATOM 536 CZ ARG A 344 12.711 46.494 -6.107 1.00 64.15 C ATOM 537 NH1 ARG A 344 13.517 45.632 -5.502 1.00 13.45 N ATOM 538 NH2 ARG A 344 13.200 47.322 -7.021 1.00 45.33 N ATOM 0 H ARG A 344 6.937 43.343 -2.988 1.00 12.32 H new ATOM 0 HA ARG A 344 7.317 46.045 -2.493 1.00 34.53 H new ATOM 0 HB2 ARG A 344 9.141 44.535 -3.019 1.00 14.05 H new ATOM 0 HB3 ARG A 344 8.465 44.175 -4.596 1.00 14.05 H new ATOM 0 HG2 ARG A 344 8.888 46.466 -5.354 1.00 62.44 H new ATOM 0 HG3 ARG A 344 9.434 46.931 -3.755 1.00 62.44 H new ATOM 0 HD2 ARG A 344 11.411 45.638 -3.908 1.00 10.10 H new ATOM 0 HD3 ARG A 344 10.773 44.633 -5.193 1.00 10.10 H new ATOM 0 HE ARG A 344 10.827 47.202 -6.287 1.00 1.11 H new ATOM 0 HH11 ARG A 344 13.145 44.992 -4.800 1.00 13.45 H new ATOM 0 HH12 ARG A 344 14.509 45.609 -5.739 1.00 13.45 H new ATOM 0 HH21 ARG A 344 12.583 47.985 -7.490 1.00 45.33 H new ATOM 0 HH22 ARG A 344 14.193 47.295 -7.255 1.00 45.33 H new ATOM 552 N GLY A 345 5.856 45.430 -5.377 1.00 41.35 N ATOM 553 CA GLY A 345 5.134 46.063 -6.466 1.00 21.11 C ATOM 554 C GLY A 345 4.088 47.044 -5.975 1.00 32.41 C ATOM 555 O GLY A 345 3.987 48.161 -6.483 1.00 11.44 O ATOM 0 H GLY A 345 5.846 44.410 -5.391 1.00 41.35 H new ATOM 0 HA2 GLY A 345 5.841 46.583 -7.112 1.00 21.11 H new ATOM 0 HA3 GLY A 345 4.652 45.296 -7.073 1.00 21.11 H new ATOM 559 N LEU A 346 3.306 46.626 -4.986 1.00 35.40 N ATOM 560 CA LEU A 346 2.260 47.475 -4.427 1.00 35.13 C ATOM 561 C LEU A 346 2.693 48.062 -3.088 1.00 1.55 C ATOM 562 O LEU A 346 2.608 47.403 -2.052 1.00 43.32 O ATOM 563 CB LEU A 346 0.966 46.677 -4.252 1.00 24.33 C ATOM 564 CG LEU A 346 -0.150 47.370 -3.469 1.00 65.12 C ATOM 565 CD1 LEU A 346 -0.709 48.542 -4.261 1.00 64.43 C ATOM 566 CD2 LEU A 346 -1.254 46.381 -3.125 1.00 63.25 C ATOM 0 H LEU A 346 3.376 45.704 -4.555 1.00 35.40 H new ATOM 0 HA LEU A 346 2.082 48.295 -5.122 1.00 35.13 H new ATOM 0 HB2 LEU A 346 0.584 46.421 -5.240 1.00 24.33 H new ATOM 0 HB3 LEU A 346 1.206 45.739 -3.751 1.00 24.33 H new ATOM 0 HG LEU A 346 0.269 47.754 -2.539 1.00 65.12 H new ATOM 0 HD11 LEU A 346 -1.502 49.023 -3.688 1.00 64.43 H new ATOM 0 HD12 LEU A 346 0.086 49.262 -4.456 1.00 64.43 H new ATOM 0 HD13 LEU A 346 -1.112 48.182 -5.208 1.00 64.43 H new ATOM 0 HD21 LEU A 346 -2.039 46.892 -2.568 1.00 63.25 H new ATOM 0 HD22 LEU A 346 -1.671 45.967 -4.043 1.00 63.25 H new ATOM 0 HD23 LEU A 346 -0.844 45.575 -2.517 1.00 63.25 H new