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= -2.33 K(o=-2.3,f=-9.9!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.0019) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.041) USER MOD Single : A 343 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 4.397 -3.684 -11.412 1.00 71.11 N ATOM 40 CA GLU A 312 3.794 -2.710 -12.314 1.00 45.32 C ATOM 41 C GLU A 312 3.463 -1.416 -11.575 1.00 64.15 C ATOM 42 O GLU A 312 3.927 -0.339 -11.949 1.00 65.40 O ATOM 43 CB GLU A 312 2.527 -3.285 -12.950 1.00 64.40 C ATOM 44 CG GLU A 312 2.715 -4.678 -13.527 1.00 70.35 C ATOM 45 CD GLU A 312 1.530 -5.129 -14.359 1.00 62.35 C ATOM 46 OE1 GLU A 312 1.615 -6.211 -14.977 1.00 25.44 O ATOM 47 OE2 GLU A 312 0.517 -4.399 -14.393 1.00 23.42 O ATOM 0 HA GLU A 312 4.516 -2.486 -13.099 1.00 45.32 H new ATOM 0 HB2 GLU A 312 1.736 -3.315 -12.201 1.00 64.40 H new ATOM 0 HB3 GLU A 312 2.192 -2.615 -13.742 1.00 64.40 H new ATOM 0 HG2 GLU A 312 3.614 -4.694 -14.143 1.00 70.35 H new ATOM 0 HG3 GLU A 312 2.874 -5.386 -12.714 1.00 70.35 H new ATOM 54 N ALA A 313 2.657 -1.531 -10.525 1.00 61.23 N ATOM 55 CA ALA A 313 2.265 -0.372 -9.733 1.00 34.41 C ATOM 56 C ALA A 313 3.460 0.215 -8.990 1.00 34.45 C ATOM 57 O ALA A 313 3.583 1.432 -8.853 1.00 52.42 O ATOM 58 CB ALA A 313 1.165 -0.752 -8.752 1.00 51.32 C ATOM 0 H ALA A 313 2.263 -2.415 -10.203 1.00 61.23 H new ATOM 0 HA ALA A 313 1.884 0.390 -10.413 1.00 34.41 H new ATOM 0 HB1 ALA A 313 0.881 0.123 -8.167 1.00 51.32 H new ATOM 0 HB2 ALA A 313 0.298 -1.118 -9.302 1.00 51.32 H new ATOM 0 HB3 ALA A 313 1.527 -1.534 -8.084 1.00 51.32 H new ATOM 64 N THR A 314 4.339 -0.659 -8.509 1.00 2.11 N ATOM 65 CA THR A 314 5.524 -0.227 -7.778 1.00 34.24 C ATOM 66 C THR A 314 6.332 0.781 -8.586 1.00 13.41 C ATOM 67 O THR A 314 6.915 1.712 -8.030 1.00 14.32 O ATOM 68 CB THR A 314 6.427 -1.421 -7.417 1.00 65.21 C ATOM 69 OG1 THR A 314 5.708 -2.351 -6.600 1.00 31.21 O ATOM 70 CG2 THR A 314 7.675 -0.953 -6.683 1.00 62.23 C ATOM 0 H THR A 314 4.253 -1.670 -8.613 1.00 2.11 H new ATOM 0 HA THR A 314 5.174 0.245 -6.860 1.00 34.24 H new ATOM 0 HB THR A 314 6.730 -1.911 -8.342 1.00 65.21 H new ATOM 0 HG1 THR A 314 6.289 -3.108 -6.377 1.00 31.21 H new ATOM 0 HG21 THR A 314 8.297 -1.814 -6.438 1.00 62.23 H new ATOM 0 HG22 THR A 314 8.236 -0.269 -7.319 1.00 62.23 H new ATOM 0 HG23 THR A 314 7.387 -0.441 -5.765 1.00 62.23 H new ATOM 78 N ARG A 315 6.362 0.591 -9.901 1.00 33.12 N ATOM 79 CA ARG A 315 7.099 1.485 -10.786 1.00 22.53 C ATOM 80 C ARG A 315 6.519 2.895 -10.740 1.00 44.21 C ATOM 81 O ARG A 315 7.185 3.836 -10.309 1.00 22.14 O ATOM 82 CB ARG A 315 7.069 0.955 -12.221 1.00 10.33 C ATOM 83 CG ARG A 315 8.070 1.634 -13.141 1.00 70.14 C ATOM 84 CD ARG A 315 9.502 1.317 -12.738 1.00 14.52 C ATOM 85 NE ARG A 315 10.410 1.338 -13.881 1.00 72.33 N ATOM 86 CZ ARG A 315 11.634 0.824 -13.856 1.00 64.44 C ATOM 87 NH1 ARG A 315 12.094 0.252 -12.752 1.00 65.42 N ATOM 88 NH2 ARG A 315 12.401 0.881 -14.938 1.00 23.53 N ATOM 0 H ARG A 315 5.884 -0.174 -10.377 1.00 33.12 H new ATOM 0 HA ARG A 315 8.133 1.525 -10.443 1.00 22.53 H new ATOM 0 HB2 ARG A 315 7.269 -0.116 -12.208 1.00 10.33 H new ATOM 0 HB3 ARG A 315 6.066 1.087 -12.628 1.00 10.33 H new ATOM 0 HG2 ARG A 315 7.900 1.310 -14.168 1.00 70.14 H new ATOM 0 HG3 ARG A 315 7.914 2.713 -13.117 1.00 70.14 H new ATOM 0 HD2 ARG A 315 9.838 2.040 -11.995 1.00 14.52 H new ATOM 0 HD3 ARG A 315 9.537 0.335 -12.266 1.00 14.52 H new ATOM 0 HE ARG A 315 10.086 1.771 -14.746 1.00 72.33 H new ATOM 0 HH11 ARG A 315 11.507 0.206 -11.919 1.00 65.42 H new ATOM 0 HH12 ARG A 315 13.035 -0.142 -12.736 1.00 65.42 H new ATOM 0 HH21 ARG A 315 12.050 1.320 -15.789 1.00 23.53 H new ATOM 0 HH22 ARG A 315 13.341 0.486 -14.918 1.00 23.53 H new ATOM 102 N GLN A 316 5.276 3.033 -11.189 1.00 12.05 N ATOM 103 CA GLN A 316 4.608 4.329 -11.200 1.00 34.02 C ATOM 104 C GLN A 316 4.658 4.980 -9.821 1.00 62.53 C ATOM 105 O GLN A 316 4.789 6.197 -9.703 1.00 41.45 O ATOM 106 CB GLN A 316 3.154 4.173 -11.650 1.00 41.12 C ATOM 107 CG GLN A 316 2.353 3.205 -10.795 1.00 73.21 C ATOM 108 CD GLN A 316 0.900 3.117 -11.219 1.00 32.12 C ATOM 109 OE1 GLN A 316 0.562 2.426 -12.181 1.00 23.15 O ATOM 110 NE2 GLN A 316 0.030 3.818 -10.501 1.00 41.43 N ATOM 0 H GLN A 316 4.711 2.264 -11.550 1.00 12.05 H new ATOM 0 HA GLN A 316 5.133 4.973 -11.905 1.00 34.02 H new ATOM 0 HB2 GLN A 316 2.669 5.149 -11.630 1.00 41.12 H new ATOM 0 HB3 GLN A 316 3.137 3.830 -12.685 1.00 41.12 H new ATOM 0 HG2 GLN A 316 2.805 2.215 -10.853 1.00 73.21 H new ATOM 0 HG3 GLN A 316 2.405 3.518 -9.752 1.00 73.21 H new ATOM 0 HE21 GLN A 316 0.353 4.377 -9.712 1.00 41.43 H new ATOM 0 HE22 GLN A 316 -0.962 3.797 -10.739 1.00 41.43 H new ATOM 119 N ALA A 317 4.553 4.159 -8.781 1.00 41.10 N ATOM 120 CA ALA A 317 4.589 4.655 -7.411 1.00 34.43 C ATOM 121 C ALA A 317 5.985 5.142 -7.039 1.00 70.01 C ATOM 122 O ALA A 317 6.137 6.086 -6.265 1.00 4.30 O ATOM 123 CB ALA A 317 4.132 3.571 -6.446 1.00 34.24 C ATOM 0 H ALA A 317 4.442 3.148 -8.861 1.00 41.10 H new ATOM 0 HA ALA A 317 3.907 5.502 -7.340 1.00 34.43 H new ATOM 0 HB1 ALA A 317 4.164 3.955 -5.426 1.00 34.24 H new ATOM 0 HB2 ALA A 317 3.112 3.273 -6.690 1.00 34.24 H new ATOM 0 HB3 ALA A 317 4.792 2.708 -6.529 1.00 34.24 H new ATOM 129 N ALA A 318 7.001 4.491 -7.596 1.00 3.14 N ATOM 130 CA ALA A 318 8.385 4.859 -7.323 1.00 41.53 C ATOM 131 C ALA A 318 8.734 6.197 -7.967 1.00 10.10 C ATOM 132 O ALA A 318 9.531 6.966 -7.430 1.00 65.55 O ATOM 133 CB ALA A 318 9.328 3.772 -7.817 1.00 53.03 C ATOM 0 H ALA A 318 6.892 3.707 -8.239 1.00 3.14 H new ATOM 0 HA ALA A 318 8.501 4.963 -6.244 1.00 41.53 H new ATOM 0 HB1 ALA A 318 10.358 4.060 -7.606 1.00 53.03 H new ATOM 0 HB2 ALA A 318 9.102 2.835 -7.308 1.00 53.03 H new ATOM 0 HB3 ALA A 318 9.201 3.640 -8.892 1.00 53.03 H new ATOM 139 N ALA A 319 8.132 6.468 -9.120 1.00 51.53 N ATOM 140 CA ALA A 319 8.378 7.714 -9.836 1.00 43.01 C ATOM 141 C ALA A 319 7.475 8.830 -9.323 1.00 11.22 C ATOM 142 O ALA A 319 7.940 9.932 -9.032 1.00 34.11 O ATOM 143 CB ALA A 319 8.175 7.513 -11.331 1.00 31.05 C ATOM 0 H ALA A 319 7.470 5.842 -9.578 1.00 51.53 H new ATOM 0 HA ALA A 319 9.412 8.008 -9.657 1.00 43.01 H new ATOM 0 HB1 ALA A 319 8.362 8.451 -11.853 1.00 31.05 H new ATOM 0 HB2 ALA A 319 8.867 6.752 -11.693 1.00 31.05 H new ATOM 0 HB3 ALA A 319 7.151 7.191 -11.519 1.00 31.05 H new ATOM 149 N GLN A 320 6.183 8.537 -9.215 1.00 50.21 N ATOM 150 CA GLN A 320 5.215 9.518 -8.738 1.00 70.21 C ATOM 151 C GLN A 320 5.668 10.132 -7.418 1.00 0.22 C ATOM 152 O GLN A 320 5.376 11.292 -7.130 1.00 52.32 O ATOM 153 CB GLN A 320 3.841 8.868 -8.567 1.00 31.20 C ATOM 154 CG GLN A 320 3.702 8.068 -7.281 1.00 51.54 C ATOM 155 CD GLN A 320 3.191 8.906 -6.126 1.00 14.11 C ATOM 156 OE1 GLN A 320 3.970 9.409 -5.316 1.00 70.00 O ATOM 157 NE2 GLN A 320 1.874 9.061 -6.043 1.00 63.34 N ATOM 0 H GLN A 320 5.783 7.629 -9.451 1.00 50.21 H new ATOM 0 HA GLN A 320 5.144 10.312 -9.481 1.00 70.21 H new ATOM 0 HB2 GLN A 320 3.076 9.644 -8.587 1.00 31.20 H new ATOM 0 HB3 GLN A 320 3.651 8.211 -9.416 1.00 31.20 H new ATOM 0 HG2 GLN A 320 3.021 7.233 -7.448 1.00 51.54 H new ATOM 0 HG3 GLN A 320 4.670 7.642 -7.016 1.00 51.54 H new ATOM 0 HE21 GLN A 320 1.265 8.626 -6.736 1.00 63.34 H new ATOM 0 HE22 GLN A 320 1.472 9.615 -5.286 1.00 63.34 H new ATOM 166 N GLU A 321 6.383 9.346 -6.619 1.00 73.30 N ATOM 167 CA GLU A 321 6.874 9.813 -5.328 1.00 45.34 C ATOM 168 C GLU A 321 8.110 10.692 -5.503 1.00 30.21 C ATOM 169 O GLU A 321 8.298 11.667 -4.776 1.00 54.14 O ATOM 170 CB GLU A 321 7.204 8.625 -4.422 1.00 51.22 C ATOM 171 CG GLU A 321 7.435 9.012 -2.971 1.00 55.11 C ATOM 172 CD GLU A 321 6.150 9.377 -2.253 1.00 74.52 C ATOM 173 OE1 GLU A 321 5.629 10.486 -2.493 1.00 4.01 O ATOM 174 OE2 GLU A 321 5.664 8.551 -1.451 1.00 41.13 O ATOM 0 H GLU A 321 6.635 8.383 -6.843 1.00 73.30 H new ATOM 0 HA GLU A 321 6.088 10.408 -4.862 1.00 45.34 H new ATOM 0 HB2 GLU A 321 6.388 7.904 -4.471 1.00 51.22 H new ATOM 0 HB3 GLU A 321 8.095 8.125 -4.802 1.00 51.22 H new ATOM 0 HG2 GLU A 321 7.915 8.184 -2.450 1.00 55.11 H new ATOM 0 HG3 GLU A 321 8.123 9.857 -2.929 1.00 55.11 H new ATOM 181 N GLU A 322 8.949 10.337 -6.471 1.00 41.31 N ATOM 182 CA GLU A 322 10.167 11.093 -6.740 1.00 22.51 C ATOM 183 C GLU A 322 9.843 12.434 -7.391 1.00 0.35 C ATOM 184 O GLU A 322 10.237 13.489 -6.893 1.00 21.15 O ATOM 185 CB GLU A 322 11.104 10.288 -7.644 1.00 34.03 C ATOM 186 CG GLU A 322 12.190 9.543 -6.886 1.00 14.01 C ATOM 187 CD GLU A 322 11.647 8.372 -6.090 1.00 62.54 C ATOM 188 OE1 GLU A 322 12.063 7.226 -6.362 1.00 74.12 O ATOM 189 OE2 GLU A 322 10.807 8.601 -5.195 1.00 51.34 O ATOM 0 H GLU A 322 8.808 9.532 -7.081 1.00 41.31 H new ATOM 0 HA GLU A 322 10.664 11.282 -5.789 1.00 22.51 H new ATOM 0 HB2 GLU A 322 10.515 9.571 -8.217 1.00 34.03 H new ATOM 0 HB3 GLU A 322 11.571 10.963 -8.362 1.00 34.03 H new ATOM 0 HG2 GLU A 322 12.938 9.182 -7.592 1.00 14.01 H new ATOM 0 HG3 GLU A 322 12.696 10.233 -6.211 1.00 14.01 H new ATOM 196 N ARG A 323 9.123 12.385 -8.506 1.00 50.45 N ATOM 197 CA ARG A 323 8.747 13.596 -9.227 1.00 21.11 C ATOM 198 C ARG A 323 8.051 14.587 -8.299 1.00 34.33 C ATOM 199 O ARG A 323 8.228 15.799 -8.422 1.00 52.40 O ATOM 200 CB ARG A 323 7.831 13.252 -10.403 1.00 21.53 C ATOM 201 CG ARG A 323 6.487 12.681 -9.981 1.00 21.42 C ATOM 202 CD ARG A 323 5.651 12.275 -11.185 1.00 4.31 C ATOM 203 NE ARG A 323 4.226 12.223 -10.869 1.00 64.33 N ATOM 204 CZ ARG A 323 3.298 11.817 -11.728 1.00 60.33 C ATOM 205 NH1 ARG A 323 3.643 11.429 -12.948 1.00 40.55 N ATOM 206 NH2 ARG A 323 2.021 11.797 -11.367 1.00 24.10 N ATOM 0 H ARG A 323 8.788 11.520 -8.930 1.00 50.45 H new ATOM 0 HA ARG A 323 9.657 14.059 -9.608 1.00 21.11 H new ATOM 0 HB2 ARG A 323 7.664 14.150 -10.998 1.00 21.53 H new ATOM 0 HB3 ARG A 323 8.336 12.532 -11.047 1.00 21.53 H new ATOM 0 HG2 ARG A 323 6.644 11.815 -9.337 1.00 21.42 H new ATOM 0 HG3 ARG A 323 5.944 13.421 -9.393 1.00 21.42 H new ATOM 0 HD2 ARG A 323 5.817 12.983 -11.997 1.00 4.31 H new ATOM 0 HD3 ARG A 323 5.979 11.299 -11.542 1.00 4.31 H new ATOM 0 HE ARG A 323 3.927 12.514 -9.938 1.00 64.33 H new ATOM 0 HH11 ARG A 323 4.623 11.442 -13.229 1.00 40.55 H new ATOM 0 HH12 ARG A 323 2.928 11.118 -13.605 1.00 40.55 H new ATOM 0 HH21 ARG A 323 1.751 12.094 -10.429 1.00 24.10 H new ATOM 0 HH22 ARG A 323 1.309 11.485 -12.028 1.00 24.10 H new ATOM 220 N LEU A 324 7.258 14.063 -7.370 1.00 72.25 N ATOM 221 CA LEU A 324 6.534 14.901 -6.421 1.00 74.11 C ATOM 222 C LEU A 324 7.500 15.684 -5.539 1.00 1.52 C ATOM 223 O LEU A 324 7.277 16.859 -5.247 1.00 52.04 O ATOM 224 CB LEU A 324 5.613 14.042 -5.552 1.00 1.52 C ATOM 225 CG LEU A 324 4.118 14.144 -5.854 1.00 15.54 C ATOM 226 CD1 LEU A 324 3.847 13.843 -7.320 1.00 1.45 C ATOM 227 CD2 LEU A 324 3.327 13.201 -4.959 1.00 23.22 C ATOM 0 H LEU A 324 7.100 13.062 -7.254 1.00 72.25 H new ATOM 0 HA LEU A 324 5.931 15.611 -6.987 1.00 74.11 H new ATOM 0 HB2 LEU A 324 5.914 13.000 -5.658 1.00 1.52 H new ATOM 0 HB3 LEU A 324 5.772 14.315 -4.509 1.00 1.52 H new ATOM 0 HG LEU A 324 3.795 15.164 -5.648 1.00 15.54 H new ATOM 0 HD11 LEU A 324 2.778 13.921 -7.516 1.00 1.45 H new ATOM 0 HD12 LEU A 324 4.383 14.559 -7.943 1.00 1.45 H new ATOM 0 HD13 LEU A 324 4.186 12.834 -7.553 1.00 1.45 H new ATOM 0 HD21 LEU A 324 2.265 13.287 -5.188 1.00 23.22 H new ATOM 0 HD22 LEU A 324 3.653 12.176 -5.132 1.00 23.22 H new ATOM 0 HD23 LEU A 324 3.495 13.464 -3.915 1.00 23.22 H new ATOM 239 N ALA A 325 8.575 15.026 -5.118 1.00 45.54 N ATOM 240 CA ALA A 325 9.578 15.663 -4.273 1.00 63.42 C ATOM 241 C ALA A 325 10.144 16.913 -4.938 1.00 73.13 C ATOM 242 O ALA A 325 10.441 17.903 -4.269 1.00 64.34 O ATOM 243 CB ALA A 325 10.696 14.682 -3.952 1.00 4.03 C ATOM 0 H ALA A 325 8.774 14.052 -5.348 1.00 45.54 H new ATOM 0 HA ALA A 325 9.095 15.965 -3.344 1.00 63.42 H new ATOM 0 HB1 ALA A 325 11.438 15.170 -3.321 1.00 4.03 H new ATOM 0 HB2 ALA A 325 10.284 13.820 -3.428 1.00 4.03 H new ATOM 0 HB3 ALA A 325 11.168 14.352 -4.878 1.00 4.03 H new ATOM 249 N ASP A 326 10.290 16.861 -6.258 1.00 33.14 N ATOM 250 CA ASP A 326 10.819 17.990 -7.013 1.00 64.04 C ATOM 251 C ASP A 326 9.774 19.093 -7.146 1.00 42.22 C ATOM 252 O ASP A 326 10.067 20.270 -6.929 1.00 32.22 O ATOM 253 CB ASP A 326 11.276 17.534 -8.400 1.00 24.31 C ATOM 254 CG ASP A 326 11.466 18.693 -9.358 1.00 12.42 C ATOM 255 OD1 ASP A 326 10.934 18.624 -10.486 1.00 43.40 O ATOM 256 OD2 ASP A 326 12.145 19.670 -8.979 1.00 53.40 O ATOM 0 H ASP A 326 10.049 16.049 -6.826 1.00 33.14 H new ATOM 0 HA ASP A 326 11.675 18.389 -6.469 1.00 64.04 H new ATOM 0 HB2 ASP A 326 12.213 16.985 -8.308 1.00 24.31 H new ATOM 0 HB3 ASP A 326 10.541 16.843 -8.812 1.00 24.31 H new ATOM 261 N LEU A 327 8.555 18.706 -7.505 1.00 43.04 N ATOM 262 CA LEU A 327 7.466 19.662 -7.669 1.00 12.35 C ATOM 263 C LEU A 327 7.273 20.490 -6.402 1.00 25.02 C ATOM 264 O LEU A 327 6.969 21.681 -6.467 1.00 23.43 O ATOM 265 CB LEU A 327 6.168 18.932 -8.016 1.00 75.12 C ATOM 266 CG LEU A 327 5.819 18.854 -9.503 1.00 31.51 C ATOM 267 CD1 LEU A 327 4.542 18.054 -9.710 1.00 51.14 C ATOM 268 CD2 LEU A 327 5.678 20.250 -10.092 1.00 31.51 C ATOM 0 H LEU A 327 8.296 17.737 -7.688 1.00 43.04 H new ATOM 0 HA LEU A 327 7.727 20.335 -8.486 1.00 12.35 H new ATOM 0 HB2 LEU A 327 6.230 17.917 -7.624 1.00 75.12 H new ATOM 0 HB3 LEU A 327 5.347 19.425 -7.496 1.00 75.12 H new ATOM 0 HG LEU A 327 6.631 18.344 -10.021 1.00 31.51 H new ATOM 0 HD11 LEU A 327 4.309 18.009 -10.774 1.00 51.14 H new ATOM 0 HD12 LEU A 327 4.679 17.043 -9.326 1.00 51.14 H new ATOM 0 HD13 LEU A 327 3.721 18.536 -9.179 1.00 51.14 H new ATOM 0 HD21 LEU A 327 5.430 20.175 -11.151 1.00 31.51 H new ATOM 0 HD22 LEU A 327 4.885 20.787 -9.570 1.00 31.51 H new ATOM 0 HD23 LEU A 327 6.618 20.790 -9.977 1.00 31.51 H new ATOM 280 N ALA A 328 7.455 19.851 -5.251 1.00 10.34 N ATOM 281 CA ALA A 328 7.306 20.529 -3.969 1.00 13.30 C ATOM 282 C ALA A 328 8.145 21.801 -3.920 1.00 3.32 C ATOM 283 O ALA A 328 7.717 22.819 -3.375 1.00 73.41 O ATOM 284 CB ALA A 328 7.690 19.596 -2.830 1.00 44.33 C ATOM 0 H ALA A 328 7.706 18.865 -5.180 1.00 10.34 H new ATOM 0 HA ALA A 328 6.259 20.811 -3.855 1.00 13.30 H new ATOM 0 HB1 ALA A 328 7.574 20.116 -1.879 1.00 44.33 H new ATOM 0 HB2 ALA A 328 7.044 18.718 -2.845 1.00 44.33 H new ATOM 0 HB3 ALA A 328 8.728 19.285 -2.949 1.00 44.33 H new ATOM 290 N SER A 329 9.343 21.736 -4.492 1.00 5.55 N ATOM 291 CA SER A 329 10.245 22.882 -4.509 1.00 3.34 C ATOM 292 C SER A 329 9.739 23.958 -5.465 1.00 60.20 C ATOM 293 O SER A 329 9.875 25.153 -5.201 1.00 65.44 O ATOM 294 CB SER A 329 11.653 22.444 -4.915 1.00 64.25 C ATOM 295 OG SER A 329 12.619 23.405 -4.526 1.00 23.20 O ATOM 0 H SER A 329 9.712 20.902 -4.950 1.00 5.55 H new ATOM 0 HA SER A 329 10.279 23.301 -3.503 1.00 3.34 H new ATOM 0 HB2 SER A 329 11.885 21.484 -4.455 1.00 64.25 H new ATOM 0 HB3 SER A 329 11.695 22.298 -5.994 1.00 64.25 H new ATOM 0 HG SER A 329 13.511 23.100 -4.796 1.00 23.20 H new ATOM 301 N ASP A 330 9.154 23.524 -6.576 1.00 44.43 N ATOM 302 CA ASP A 330 8.626 24.449 -7.573 1.00 22.21 C ATOM 303 C ASP A 330 7.695 25.470 -6.927 1.00 75.32 C ATOM 304 O ASP A 330 8.010 26.658 -6.859 1.00 4.42 O ATOM 305 CB ASP A 330 7.883 23.682 -8.667 1.00 75.15 C ATOM 306 CG ASP A 330 7.697 24.505 -9.927 1.00 51.00 C ATOM 307 OD1 ASP A 330 6.542 24.641 -10.383 1.00 31.04 O ATOM 308 OD2 ASP A 330 8.707 25.014 -10.457 1.00 34.03 O ATOM 0 H ASP A 330 9.033 22.538 -6.809 1.00 44.43 H new ATOM 0 HA ASP A 330 9.465 24.982 -8.020 1.00 22.21 H new ATOM 0 HB2 ASP A 330 8.435 22.773 -8.908 1.00 75.15 H new ATOM 0 HB3 ASP A 330 6.908 23.373 -8.291 1.00 75.15 H new ATOM 313 N LEU A 331 6.545 24.999 -6.456 1.00 2.02 N ATOM 314 CA LEU A 331 5.566 25.871 -5.816 1.00 41.01 C ATOM 315 C LEU A 331 6.202 26.660 -4.676 1.00 43.34 C ATOM 316 O LEU A 331 5.870 27.825 -4.452 1.00 41.13 O ATOM 317 CB LEU A 331 4.390 25.048 -5.288 1.00 13.45 C ATOM 318 CG LEU A 331 4.740 23.933 -4.301 1.00 53.45 C ATOM 319 CD1 LEU A 331 4.181 24.246 -2.922 1.00 2.01 C ATOM 320 CD2 LEU A 331 4.214 22.595 -4.801 1.00 3.41 C ATOM 0 H LEU A 331 6.268 24.019 -6.505 1.00 2.02 H new ATOM 0 HA LEU A 331 5.202 26.577 -6.562 1.00 41.01 H new ATOM 0 HB2 LEU A 331 3.686 25.726 -4.805 1.00 13.45 H new ATOM 0 HB3 LEU A 331 3.872 24.604 -6.138 1.00 13.45 H new ATOM 0 HG LEU A 331 5.825 23.869 -4.224 1.00 53.45 H new ATOM 0 HD11 LEU A 331 4.440 23.442 -2.233 1.00 2.01 H new ATOM 0 HD12 LEU A 331 4.605 25.183 -2.562 1.00 2.01 H new ATOM 0 HD13 LEU A 331 3.096 24.338 -2.981 1.00 2.01 H new ATOM 0 HD21 LEU A 331 4.472 21.813 -4.087 1.00 3.41 H new ATOM 0 HD22 LEU A 331 3.130 22.647 -4.907 1.00 3.41 H new ATOM 0 HD23 LEU A 331 4.663 22.366 -5.768 1.00 3.41 H new ATOM 332 N LEU A 332 7.120 26.020 -3.960 1.00 73.23 N ATOM 333 CA LEU A 332 7.805 26.663 -2.844 1.00 62.44 C ATOM 334 C LEU A 332 8.546 27.913 -3.308 1.00 32.03 C ATOM 335 O LEU A 332 8.384 28.991 -2.735 1.00 3.34 O ATOM 336 CB LEU A 332 8.787 25.687 -2.193 1.00 34.32 C ATOM 337 CG LEU A 332 9.184 25.998 -0.750 1.00 1.15 C ATOM 338 CD1 LEU A 332 9.832 24.785 -0.101 1.00 20.23 C ATOM 339 CD2 LEU A 332 10.122 27.196 -0.701 1.00 70.41 C ATOM 0 H LEU A 332 7.407 25.057 -4.132 1.00 73.23 H new ATOM 0 HA LEU A 332 7.055 26.958 -2.110 1.00 62.44 H new ATOM 0 HB2 LEU A 332 8.349 24.689 -2.221 1.00 34.32 H new ATOM 0 HB3 LEU A 332 9.692 25.655 -2.799 1.00 34.32 H new ATOM 0 HG LEU A 332 8.282 26.245 -0.191 1.00 1.15 H new ATOM 0 HD11 LEU A 332 10.108 25.026 0.926 1.00 20.23 H new ATOM 0 HD12 LEU A 332 9.129 23.952 -0.102 1.00 20.23 H new ATOM 0 HD13 LEU A 332 10.725 24.506 -0.661 1.00 20.23 H new ATOM 0 HD21 LEU A 332 10.394 27.403 0.334 1.00 70.41 H new ATOM 0 HD22 LEU A 332 11.022 26.977 -1.276 1.00 70.41 H new ATOM 0 HD23 LEU A 332 9.623 28.067 -1.126 1.00 70.41 H new ATOM 351 N LEU A 333 9.357 27.762 -4.349 1.00 55.21 N ATOM 352 CA LEU A 333 10.121 28.880 -4.892 1.00 31.11 C ATOM 353 C LEU A 333 9.193 29.985 -5.386 1.00 61.04 C ATOM 354 O LEU A 333 9.484 31.170 -5.226 1.00 32.13 O ATOM 355 CB LEU A 333 11.018 28.402 -6.035 1.00 4.42 C ATOM 356 CG LEU A 333 11.931 29.459 -6.658 1.00 3.12 C ATOM 357 CD1 LEU A 333 12.880 30.027 -5.614 1.00 2.21 C ATOM 358 CD2 LEU A 333 12.710 28.870 -7.825 1.00 1.11 C ATOM 0 H LEU A 333 9.503 26.877 -4.834 1.00 55.21 H new ATOM 0 HA LEU A 333 10.744 29.284 -4.094 1.00 31.11 H new ATOM 0 HB2 LEU A 333 11.639 27.586 -5.666 1.00 4.42 H new ATOM 0 HB3 LEU A 333 10.384 27.990 -6.820 1.00 4.42 H new ATOM 0 HG LEU A 333 11.310 30.271 -7.035 1.00 3.12 H new ATOM 0 HD11 LEU A 333 13.522 30.777 -6.076 1.00 2.21 H new ATOM 0 HD12 LEU A 333 12.304 30.487 -4.811 1.00 2.21 H new ATOM 0 HD13 LEU A 333 13.495 29.225 -5.207 1.00 2.21 H new ATOM 0 HD21 LEU A 333 13.354 29.636 -8.256 1.00 1.11 H new ATOM 0 HD22 LEU A 333 13.321 28.039 -7.472 1.00 1.11 H new ATOM 0 HD23 LEU A 333 12.014 28.512 -8.584 1.00 1.11 H new ATOM 370 N GLN A 334 8.075 29.588 -5.986 1.00 64.11 N ATOM 371 CA GLN A 334 7.104 30.545 -6.502 1.00 44.43 C ATOM 372 C GLN A 334 6.586 31.449 -5.389 1.00 0.25 C ATOM 373 O GLN A 334 6.337 32.636 -5.604 1.00 34.53 O ATOM 374 CB GLN A 334 5.937 29.813 -7.166 1.00 30.44 C ATOM 375 CG GLN A 334 5.036 30.721 -7.986 1.00 15.12 C ATOM 376 CD GLN A 334 5.634 31.076 -9.333 1.00 23.24 C ATOM 377 OE1 GLN A 334 5.740 32.250 -9.688 1.00 71.12 O ATOM 378 NE2 GLN A 334 6.031 30.060 -10.091 1.00 14.04 N ATOM 0 H GLN A 334 7.820 28.611 -6.127 1.00 64.11 H new ATOM 0 HA GLN A 334 7.604 31.166 -7.246 1.00 44.43 H new ATOM 0 HB2 GLN A 334 6.331 29.028 -7.811 1.00 30.44 H new ATOM 0 HB3 GLN A 334 5.341 29.323 -6.396 1.00 30.44 H new ATOM 0 HG2 GLN A 334 4.074 30.231 -8.138 1.00 15.12 H new ATOM 0 HG3 GLN A 334 4.843 31.636 -7.426 1.00 15.12 H new ATOM 0 HE21 GLN A 334 5.924 29.102 -9.757 1.00 14.04 H new ATOM 0 HE22 GLN A 334 6.443 30.238 -11.007 1.00 14.04 H new ATOM 387 N TYR A 335 6.426 30.881 -4.199 1.00 32.32 N ATOM 388 CA TYR A 335 5.934 31.634 -3.052 1.00 2.54 C ATOM 389 C TYR A 335 6.834 32.831 -2.760 1.00 1.41 C ATOM 390 O TYR A 335 6.360 33.899 -2.369 1.00 43.24 O ATOM 391 CB TYR A 335 5.852 30.732 -1.819 1.00 54.13 C ATOM 392 CG TYR A 335 5.156 31.377 -0.642 1.00 11.11 C ATOM 393 CD1 TYR A 335 5.716 31.336 0.629 1.00 22.50 C ATOM 394 CD2 TYR A 335 3.938 32.027 -0.800 1.00 3.11 C ATOM 395 CE1 TYR A 335 5.084 31.923 1.708 1.00 70.21 C ATOM 396 CE2 TYR A 335 3.300 32.618 0.273 1.00 53.41 C ATOM 397 CZ TYR A 335 3.876 32.563 1.525 1.00 43.43 C ATOM 398 OH TYR A 335 3.243 33.150 2.596 1.00 33.11 O ATOM 0 H TYR A 335 6.630 29.901 -4.004 1.00 32.32 H new ATOM 0 HA TYR A 335 4.936 32.001 -3.292 1.00 2.54 H new ATOM 0 HB2 TYR A 335 5.325 29.815 -2.084 1.00 54.13 H new ATOM 0 HB3 TYR A 335 6.861 30.445 -1.521 1.00 54.13 H new ATOM 0 HD1 TYR A 335 6.662 30.836 0.776 1.00 22.50 H new ATOM 0 HD2 TYR A 335 3.483 32.071 -1.778 1.00 3.11 H new ATOM 0 HE1 TYR A 335 5.533 31.881 2.689 1.00 70.21 H new ATOM 0 HE2 TYR A 335 2.355 33.121 0.132 1.00 53.41 H new ATOM 0 HH TYR A 335 2.404 33.559 2.296 1.00 33.11 H new ATOM 408 N LEU A 336 8.135 32.646 -2.953 1.00 22.40 N ATOM 409 CA LEU A 336 9.104 33.709 -2.712 1.00 1.30 C ATOM 410 C LEU A 336 9.045 34.760 -3.816 1.00 61.02 C ATOM 411 O LEU A 336 8.760 35.931 -3.560 1.00 30.54 O ATOM 412 CB LEU A 336 10.516 33.129 -2.620 1.00 22.43 C ATOM 413 CG LEU A 336 10.904 32.517 -1.273 1.00 10.42 C ATOM 414 CD1 LEU A 336 10.808 33.557 -0.167 1.00 42.43 C ATOM 415 CD2 LEU A 336 10.022 31.318 -0.957 1.00 54.44 C ATOM 0 H LEU A 336 8.544 31.769 -3.276 1.00 22.40 H new ATOM 0 HA LEU A 336 8.853 34.188 -1.766 1.00 1.30 H new ATOM 0 HB2 LEU A 336 10.624 32.364 -3.389 1.00 22.43 H new ATOM 0 HB3 LEU A 336 11.228 33.920 -2.856 1.00 22.43 H new ATOM 0 HG LEU A 336 11.937 32.176 -1.335 1.00 10.42 H new ATOM 0 HD11 LEU A 336 11.088 33.104 0.784 1.00 42.43 H new ATOM 0 HD12 LEU A 336 11.482 34.385 -0.387 1.00 42.43 H new ATOM 0 HD13 LEU A 336 9.785 33.929 -0.105 1.00 42.43 H new ATOM 0 HD21 LEU A 336 10.313 30.896 0.005 1.00 54.44 H new ATOM 0 HD22 LEU A 336 8.980 31.634 -0.914 1.00 54.44 H new ATOM 0 HD23 LEU A 336 10.141 30.564 -1.735 1.00 54.44 H new ATOM 427 N LEU A 337 9.314 34.334 -5.045 1.00 43.44 N ATOM 428 CA LEU A 337 9.290 35.238 -6.190 1.00 73.05 C ATOM 429 C LEU A 337 7.974 36.008 -6.249 1.00 21.34 C ATOM 430 O LEU A 337 7.964 37.225 -6.431 1.00 23.30 O ATOM 431 CB LEU A 337 9.493 34.454 -7.488 1.00 52.02 C ATOM 432 CG LEU A 337 9.516 35.280 -8.775 1.00 10.13 C ATOM 433 CD1 LEU A 337 10.408 34.622 -9.816 1.00 2.03 C ATOM 434 CD2 LEU A 337 8.106 35.462 -9.317 1.00 12.51 C ATOM 0 H LEU A 337 9.551 33.369 -5.274 1.00 43.44 H new ATOM 0 HA LEU A 337 10.104 35.954 -6.073 1.00 73.05 H new ATOM 0 HB2 LEU A 337 10.432 33.906 -7.415 1.00 52.02 H new ATOM 0 HB3 LEU A 337 8.698 33.713 -7.570 1.00 52.02 H new ATOM 0 HG LEU A 337 9.925 36.264 -8.545 1.00 10.13 H new ATOM 0 HD11 LEU A 337 10.412 35.224 -10.725 1.00 2.03 H new ATOM 0 HD12 LEU A 337 11.424 34.544 -9.428 1.00 2.03 H new ATOM 0 HD13 LEU A 337 10.029 33.626 -10.043 1.00 2.03 H new ATOM 0 HD21 LEU A 337 8.142 36.052 -10.233 1.00 12.51 H new ATOM 0 HD22 LEU A 337 7.670 34.486 -9.531 1.00 12.51 H new ATOM 0 HD23 LEU A 337 7.495 35.978 -8.576 1.00 12.51 H new ATOM 446 N GLN A 338 6.867 35.290 -6.090 1.00 71.31 N ATOM 447 CA GLN A 338 5.546 35.906 -6.123 1.00 51.32 C ATOM 448 C GLN A 338 5.469 37.082 -5.154 1.00 64.43 C ATOM 449 O GLN A 338 4.830 38.093 -5.439 1.00 42.32 O ATOM 450 CB GLN A 338 4.470 34.875 -5.779 1.00 12.12 C ATOM 451 CG GLN A 338 3.054 35.365 -6.035 1.00 33.10 C ATOM 452 CD GLN A 338 2.086 34.232 -6.314 1.00 71.10 C ATOM 453 OE1 GLN A 338 1.054 34.104 -5.654 1.00 5.34 O ATOM 454 NE2 GLN A 338 2.414 33.401 -7.297 1.00 12.41 N ATOM 0 H GLN A 338 6.859 34.282 -5.937 1.00 71.31 H new ATOM 0 HA GLN A 338 5.372 36.279 -7.132 1.00 51.32 H new ATOM 0 HB2 GLN A 338 4.644 33.972 -6.363 1.00 12.12 H new ATOM 0 HB3 GLN A 338 4.566 34.599 -4.729 1.00 12.12 H new ATOM 0 HG2 GLN A 338 2.707 35.930 -5.170 1.00 33.10 H new ATOM 0 HG3 GLN A 338 3.059 36.051 -6.882 1.00 33.10 H new ATOM 0 HE21 GLN A 338 3.279 33.544 -7.818 1.00 12.41 H new ATOM 0 HE22 GLN A 338 1.801 32.620 -7.530 1.00 12.41 H new ATOM 463 N GLY A 339 6.126 36.940 -4.007 1.00 11.14 N ATOM 464 CA GLY A 339 6.119 37.998 -3.013 1.00 32.53 C ATOM 465 C GLY A 339 6.629 39.314 -3.563 1.00 43.25 C ATOM 466 O GLY A 339 6.076 40.374 -3.271 1.00 25.41 O ATOM 0 H GLY A 339 6.663 36.112 -3.748 1.00 11.14 H new ATOM 0 HA2 GLY A 339 5.104 38.133 -2.638 1.00 32.53 H new ATOM 0 HA3 GLY A 339 6.735 37.699 -2.165 1.00 32.53 H new ATOM 470 N GLY A 340 7.690 39.248 -4.363 1.00 53.50 N ATOM 471 CA GLY A 340 8.258 40.452 -4.942 1.00 22.23 C ATOM 472 C GLY A 340 7.584 40.845 -6.241 1.00 72.21 C ATOM 473 O GLY A 340 7.442 42.030 -6.541 1.00 34.14 O ATOM 0 H GLY A 340 8.166 38.383 -4.620 1.00 53.50 H new ATOM 0 HA2 GLY A 340 8.170 41.271 -4.228 1.00 22.23 H new ATOM 0 HA3 GLY A 340 9.322 40.298 -5.121 1.00 22.23 H new ATOM 477 N ALA A 341 7.169 39.848 -7.016 1.00 31.23 N ATOM 478 CA ALA A 341 6.506 40.096 -8.290 1.00 32.51 C ATOM 479 C ALA A 341 5.290 40.999 -8.110 1.00 23.42 C ATOM 480 O ALA A 341 5.092 41.947 -8.869 1.00 42.21 O ATOM 481 CB ALA A 341 6.097 38.780 -8.937 1.00 3.32 C ATOM 0 H ALA A 341 7.280 38.861 -6.784 1.00 31.23 H new ATOM 0 HA ALA A 341 7.212 40.607 -8.945 1.00 32.51 H new ATOM 0 HB1 ALA A 341 5.603 38.980 -9.888 1.00 3.32 H new ATOM 0 HB2 ALA A 341 6.983 38.169 -9.110 1.00 3.32 H new ATOM 0 HB3 ALA A 341 5.412 38.248 -8.277 1.00 3.32 H new ATOM 487 N ARG A 342 4.479 40.697 -7.101 1.00 42.21 N ATOM 488 CA ARG A 342 3.282 41.481 -6.823 1.00 51.11 C ATOM 489 C ARG A 342 3.649 42.885 -6.352 1.00 54.43 C ATOM 490 O ARG A 342 3.004 43.864 -6.729 1.00 20.14 O ATOM 491 CB ARG A 342 2.425 40.784 -5.765 1.00 12.44 C ATOM 492 CG ARG A 342 3.141 40.578 -4.440 1.00 1.41 C ATOM 493 CD ARG A 342 2.524 39.439 -3.644 1.00 72.02 C ATOM 494 NE ARG A 342 2.890 39.497 -2.232 1.00 31.25 N ATOM 495 CZ ARG A 342 2.286 38.785 -1.286 1.00 63.13 C ATOM 496 NH1 ARG A 342 1.293 37.965 -1.602 1.00 2.14 N ATOM 497 NH2 ARG A 342 2.676 38.892 -0.023 1.00 25.05 N ATOM 0 H ARG A 342 4.629 39.915 -6.463 1.00 42.21 H new ATOM 0 HA ARG A 342 2.710 41.565 -7.747 1.00 51.11 H new ATOM 0 HB2 ARG A 342 1.524 41.373 -5.594 1.00 12.44 H new ATOM 0 HB3 ARG A 342 2.104 39.816 -6.149 1.00 12.44 H new ATOM 0 HG2 ARG A 342 4.194 40.366 -4.624 1.00 1.41 H new ATOM 0 HG3 ARG A 342 3.098 41.497 -3.855 1.00 1.41 H new ATOM 0 HD2 ARG A 342 1.439 39.477 -3.739 1.00 72.02 H new ATOM 0 HD3 ARG A 342 2.848 38.487 -4.064 1.00 72.02 H new ATOM 0 HE ARG A 342 3.651 40.118 -1.956 1.00 31.25 H new ATOM 0 HH11 ARG A 342 0.991 37.880 -2.573 1.00 2.14 H new ATOM 0 HH12 ARG A 342 0.831 37.420 -0.874 1.00 2.14 H new ATOM 0 HH21 ARG A 342 3.440 39.521 0.223 1.00 25.05 H new ATOM 0 HH22 ARG A 342 2.212 38.345 0.702 1.00 25.05 H new ATOM 511 N GLN A 343 4.687 42.975 -5.528 1.00 10.25 N ATOM 512 CA GLN A 343 5.138 44.260 -5.005 1.00 30.51 C ATOM 513 C GLN A 343 5.596 45.176 -6.134 1.00 41.33 C ATOM 514 O GLN A 343 5.058 46.268 -6.317 1.00 50.34 O ATOM 515 CB GLN A 343 6.277 44.055 -4.004 1.00 53.31 C ATOM 516 CG GLN A 343 5.810 43.560 -2.645 1.00 3.13 C ATOM 517 CD GLN A 343 5.123 44.641 -1.834 1.00 52.11 C ATOM 518 OE1 GLN A 343 5.778 45.484 -1.221 1.00 13.24 O ATOM 519 NE2 GLN A 343 3.795 44.622 -1.828 1.00 1.25 N ATOM 0 H GLN A 343 5.232 42.174 -5.208 1.00 10.25 H new ATOM 0 HA GLN A 343 4.298 44.733 -4.497 1.00 30.51 H new ATOM 0 HB2 GLN A 343 6.988 43.340 -4.417 1.00 53.31 H new ATOM 0 HB3 GLN A 343 6.810 44.997 -3.875 1.00 53.31 H new ATOM 0 HG2 GLN A 343 5.124 42.724 -2.783 1.00 3.13 H new ATOM 0 HG3 GLN A 343 6.666 43.181 -2.087 1.00 3.13 H new ATOM 0 HE21 GLN A 343 3.293 43.904 -2.351 1.00 1.25 H new ATOM 0 HE22 GLN A 343 3.277 45.325 -1.301 1.00 1.25 H new ATOM 528 N ARG A 344 6.593 44.725 -6.889 1.00 0.15 N ATOM 529 CA ARG A 344 7.125 45.506 -7.999 1.00 74.32 C ATOM 530 C ARG A 344 6.053 45.742 -9.060 1.00 1.04 C ATOM 531 O ARG A 344 5.998 46.806 -9.675 1.00 11.14 O ATOM 532 CB ARG A 344 8.326 44.793 -8.623 1.00 32.32 C ATOM 533 CG ARG A 344 8.998 45.587 -9.730 1.00 41.24 C ATOM 534 CD ARG A 344 9.953 46.629 -9.168 1.00 73.12 C ATOM 535 NE ARG A 344 10.752 47.260 -10.215 1.00 11.42 N ATOM 536 CZ ARG A 344 10.305 48.242 -10.989 1.00 54.45 C ATOM 537 NH1 ARG A 344 9.071 48.703 -10.835 1.00 50.15 N ATOM 538 NH2 ARG A 344 11.092 48.766 -11.920 1.00 42.02 N ATOM 0 H ARG A 344 7.048 43.823 -6.752 1.00 0.15 H new ATOM 0 HA ARG A 344 7.447 46.472 -7.610 1.00 74.32 H new ATOM 0 HB2 ARG A 344 9.058 44.582 -7.843 1.00 32.32 H new ATOM 0 HB3 ARG A 344 8.000 43.833 -9.023 1.00 32.32 H new ATOM 0 HG2 ARG A 344 9.543 44.909 -10.386 1.00 41.24 H new ATOM 0 HG3 ARG A 344 8.239 46.078 -10.339 1.00 41.24 H new ATOM 0 HD2 ARG A 344 9.385 47.392 -8.636 1.00 73.12 H new ATOM 0 HD3 ARG A 344 10.615 46.159 -8.440 1.00 73.12 H new ATOM 0 HE ARG A 344 11.706 46.928 -10.360 1.00 11.42 H new ATOM 0 HH11 ARG A 344 8.463 48.303 -10.121 1.00 50.15 H new ATOM 0 HH12 ARG A 344 8.730 49.457 -11.431 1.00 50.15 H new ATOM 0 HH21 ARG A 344 12.042 48.414 -12.042 1.00 42.02 H new ATOM 0 HH22 ARG A 344 10.747 49.520 -12.514 1.00 42.02 H new ATOM 552 N GLY A 345 5.203 44.741 -9.268 1.00 61.03 N ATOM 553 CA GLY A 345 4.145 44.859 -10.255 1.00 4.41 C ATOM 554 C GLY A 345 3.132 45.928 -9.894 1.00 24.55 C ATOM 555 O GLY A 345 2.814 46.793 -10.710 1.00 11.33 O ATOM 0 H GLY A 345 5.228 43.851 -8.771 1.00 61.03 H new ATOM 0 HA2 GLY A 345 4.582 45.090 -11.226 1.00 4.41 H new ATOM 0 HA3 GLY A 345 3.637 43.900 -10.355 1.00 4.41 H new ATOM 559 N LEU A 346 2.623 45.867 -8.668 1.00 40.02 N ATOM 560 CA LEU A 346 1.638 46.836 -8.200 1.00 41.13 C ATOM 561 C LEU A 346 2.069 47.454 -6.874 1.00 45.12 C ATOM 562 O LEU A 346 2.515 46.753 -5.967 1.00 13.14 O ATOM 563 CB LEU A 346 0.271 46.168 -8.044 1.00 12.21 C ATOM 564 CG LEU A 346 -0.561 46.034 -9.320 1.00 43.21 C ATOM 565 CD1 LEU A 346 -1.679 45.022 -9.125 1.00 11.42 C ATOM 566 CD2 LEU A 346 -1.127 47.385 -9.732 1.00 12.22 C ATOM 0 H LEU A 346 2.876 45.157 -7.981 1.00 40.02 H new ATOM 0 HA LEU A 346 1.565 47.630 -8.943 1.00 41.13 H new ATOM 0 HB2 LEU A 346 0.421 45.173 -7.626 1.00 12.21 H new ATOM 0 HB3 LEU A 346 -0.307 46.736 -7.315 1.00 12.21 H new ATOM 0 HG LEU A 346 0.089 45.676 -10.119 1.00 43.21 H new ATOM 0 HD11 LEU A 346 -2.260 44.940 -10.044 1.00 11.42 H new ATOM 0 HD12 LEU A 346 -1.251 44.050 -8.879 1.00 11.42 H new ATOM 0 HD13 LEU A 346 -2.328 45.349 -8.313 1.00 11.42 H new ATOM 0 HD21 LEU A 346 -1.716 47.270 -10.642 1.00 12.22 H new ATOM 0 HD22 LEU A 346 -1.762 47.772 -8.935 1.00 12.22 H new ATOM 0 HD23 LEU A 346 -0.309 48.082 -9.915 1.00 12.22 H new