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= -2.31 K(o=-2.3,f=-9.8!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.021) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 343 GLN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 4.755 -4.163 -9.998 1.00 44.03 N ATOM 40 CA GLU A 312 4.224 -3.235 -10.989 1.00 54.22 C ATOM 41 C GLU A 312 3.882 -1.892 -10.349 1.00 62.31 C ATOM 42 O GLU A 312 4.493 -0.871 -10.661 1.00 40.33 O ATOM 43 CB GLU A 312 2.980 -3.825 -11.657 1.00 51.33 C ATOM 44 CG GLU A 312 3.203 -5.208 -12.245 1.00 31.10 C ATOM 45 CD GLU A 312 3.958 -5.169 -13.560 1.00 13.25 C ATOM 46 OE1 GLU A 312 4.478 -4.090 -13.914 1.00 32.33 O ATOM 47 OE2 GLU A 312 4.028 -6.218 -14.234 1.00 3.41 O ATOM 0 HA GLU A 312 4.992 -3.073 -11.745 1.00 54.22 H new ATOM 0 HB2 GLU A 312 2.174 -3.876 -10.925 1.00 51.33 H new ATOM 0 HB3 GLU A 312 2.649 -3.152 -12.448 1.00 51.33 H new ATOM 0 HG2 GLU A 312 3.757 -5.817 -11.531 1.00 31.10 H new ATOM 0 HG3 GLU A 312 2.239 -5.693 -12.398 1.00 31.10 H new ATOM 54 N ALA A 313 2.901 -1.903 -9.452 1.00 64.54 N ATOM 55 CA ALA A 313 2.479 -0.688 -8.767 1.00 60.31 C ATOM 56 C ALA A 313 3.664 0.013 -8.113 1.00 45.41 C ATOM 57 O ALA A 313 3.726 1.243 -8.070 1.00 35.33 O ATOM 58 CB ALA A 313 1.415 -1.011 -7.728 1.00 44.11 C ATOM 0 H ALA A 313 2.384 -2.740 -9.183 1.00 64.54 H new ATOM 0 HA ALA A 313 2.054 -0.011 -9.508 1.00 60.31 H new ATOM 0 HB1 ALA A 313 1.109 -0.094 -7.224 1.00 44.11 H new ATOM 0 HB2 ALA A 313 0.552 -1.461 -8.219 1.00 44.11 H new ATOM 0 HB3 ALA A 313 1.821 -1.709 -6.996 1.00 44.11 H new ATOM 64 N THR A 314 4.606 -0.775 -7.604 1.00 31.20 N ATOM 65 CA THR A 314 5.789 -0.230 -6.950 1.00 52.44 C ATOM 66 C THR A 314 6.534 0.729 -7.873 1.00 33.25 C ATOM 67 O THR A 314 7.089 1.732 -7.423 1.00 60.53 O ATOM 68 CB THR A 314 6.751 -1.347 -6.505 1.00 74.43 C ATOM 69 OG1 THR A 314 6.089 -2.228 -5.591 1.00 15.04 O ATOM 70 CG2 THR A 314 7.991 -0.763 -5.847 1.00 23.32 C ATOM 0 H THR A 314 4.572 -1.794 -7.632 1.00 31.20 H new ATOM 0 HA THR A 314 5.442 0.312 -6.070 1.00 52.44 H new ATOM 0 HB THR A 314 7.058 -1.906 -7.389 1.00 74.43 H new ATOM 0 HG1 THR A 314 6.707 -2.937 -5.314 1.00 15.04 H new ATOM 0 HG21 THR A 314 8.655 -1.571 -5.541 1.00 23.32 H new ATOM 0 HG22 THR A 314 8.508 -0.116 -6.556 1.00 23.32 H new ATOM 0 HG23 THR A 314 7.699 -0.182 -4.972 1.00 23.32 H new ATOM 78 N ARG A 315 6.541 0.414 -9.164 1.00 0.52 N ATOM 79 CA ARG A 315 7.219 1.248 -10.149 1.00 54.42 C ATOM 80 C ARG A 315 6.583 2.634 -10.219 1.00 34.43 C ATOM 81 O ARG A 315 7.219 3.636 -9.894 1.00 62.42 O ATOM 82 CB ARG A 315 7.174 0.585 -11.527 1.00 52.21 C ATOM 83 CG ARG A 315 8.245 1.089 -12.481 1.00 13.23 C ATOM 84 CD ARG A 315 7.801 2.354 -13.199 1.00 33.12 C ATOM 85 NE ARG A 315 8.445 2.498 -14.502 1.00 12.44 N ATOM 86 CZ ARG A 315 9.685 2.947 -14.663 1.00 14.43 C ATOM 87 NH1 ARG A 315 10.410 3.293 -13.608 1.00 41.53 N ATOM 88 NH2 ARG A 315 10.201 3.051 -15.881 1.00 21.44 N ATOM 0 H ARG A 315 6.085 -0.412 -9.552 1.00 0.52 H new ATOM 0 HA ARG A 315 8.258 1.359 -9.840 1.00 54.42 H new ATOM 0 HB2 ARG A 315 7.285 -0.493 -11.406 1.00 52.21 H new ATOM 0 HB3 ARG A 315 6.194 0.757 -11.971 1.00 52.21 H new ATOM 0 HG2 ARG A 315 9.163 1.287 -11.928 1.00 13.23 H new ATOM 0 HG3 ARG A 315 8.475 0.315 -13.213 1.00 13.23 H new ATOM 0 HD2 ARG A 315 6.719 2.336 -13.329 1.00 33.12 H new ATOM 0 HD3 ARG A 315 8.033 3.222 -12.582 1.00 33.12 H new ATOM 0 HE ARG A 315 7.914 2.240 -15.334 1.00 12.44 H new ATOM 0 HH11 ARG A 315 10.016 3.215 -12.670 1.00 41.53 H new ATOM 0 HH12 ARG A 315 11.362 3.637 -13.734 1.00 41.53 H new ATOM 0 HH21 ARG A 315 9.646 2.786 -16.694 1.00 21.44 H new ATOM 0 HH22 ARG A 315 11.153 3.396 -16.004 1.00 21.44 H new ATOM 102 N GLN A 316 5.324 2.681 -10.644 1.00 63.22 N ATOM 103 CA GLN A 316 4.603 3.943 -10.757 1.00 45.22 C ATOM 104 C GLN A 316 4.681 4.733 -9.455 1.00 32.34 C ATOM 105 O GLN A 316 4.763 5.960 -9.466 1.00 2.52 O ATOM 106 CB GLN A 316 3.141 3.688 -11.127 1.00 2.42 C ATOM 107 CG GLN A 316 2.411 2.793 -10.139 1.00 11.43 C ATOM 108 CD GLN A 316 0.947 2.613 -10.487 1.00 35.42 C ATOM 109 OE1 GLN A 316 0.609 2.097 -11.553 1.00 40.30 O ATOM 110 NE2 GLN A 316 0.067 3.037 -9.587 1.00 20.42 N ATOM 0 H GLN A 316 4.783 1.860 -10.915 1.00 63.22 H new ATOM 0 HA GLN A 316 5.072 4.531 -11.546 1.00 45.22 H new ATOM 0 HB2 GLN A 316 2.620 4.643 -11.193 1.00 2.42 H new ATOM 0 HB3 GLN A 316 3.099 3.233 -12.116 1.00 2.42 H new ATOM 0 HG2 GLN A 316 2.896 1.817 -10.111 1.00 11.43 H new ATOM 0 HG3 GLN A 316 2.493 3.219 -9.139 1.00 11.43 H new ATOM 0 HE21 GLN A 316 0.391 3.459 -8.717 1.00 20.42 H new ATOM 0 HE22 GLN A 316 -0.932 2.941 -9.766 1.00 20.42 H new ATOM 119 N ALA A 317 4.653 4.019 -8.334 1.00 4.54 N ATOM 120 CA ALA A 317 4.722 4.654 -7.023 1.00 21.51 C ATOM 121 C ALA A 317 6.112 5.225 -6.762 1.00 34.24 C ATOM 122 O ALA A 317 6.256 6.253 -6.101 1.00 21.34 O ATOM 123 CB ALA A 317 4.345 3.659 -5.935 1.00 61.20 C ATOM 0 H ALA A 317 4.583 3.002 -8.307 1.00 4.54 H new ATOM 0 HA ALA A 317 4.010 5.479 -7.008 1.00 21.51 H new ATOM 0 HB1 ALA A 317 4.401 4.146 -4.961 1.00 61.20 H new ATOM 0 HB2 ALA A 317 3.329 3.302 -6.105 1.00 61.20 H new ATOM 0 HB3 ALA A 317 5.035 2.815 -5.959 1.00 61.20 H new ATOM 129 N ALA A 318 7.131 4.551 -7.284 1.00 41.22 N ATOM 130 CA ALA A 318 8.509 4.993 -7.108 1.00 50.02 C ATOM 131 C ALA A 318 8.787 6.258 -7.914 1.00 21.34 C ATOM 132 O ALA A 318 9.602 7.091 -7.517 1.00 74.32 O ATOM 133 CB ALA A 318 9.473 3.887 -7.509 1.00 63.44 C ATOM 0 H ALA A 318 7.029 3.697 -7.832 1.00 41.22 H new ATOM 0 HA ALA A 318 8.658 5.225 -6.054 1.00 50.02 H new ATOM 0 HB1 ALA A 318 10.498 4.231 -7.373 1.00 63.44 H new ATOM 0 HB2 ALA A 318 9.299 3.009 -6.887 1.00 63.44 H new ATOM 0 HB3 ALA A 318 9.314 3.627 -8.556 1.00 63.44 H new ATOM 139 N ALA A 319 8.106 6.394 -9.046 1.00 73.04 N ATOM 140 CA ALA A 319 8.279 7.558 -9.907 1.00 31.23 C ATOM 141 C ALA A 319 7.352 8.694 -9.487 1.00 72.50 C ATOM 142 O ALA A 319 7.782 9.838 -9.350 1.00 53.51 O ATOM 143 CB ALA A 319 8.031 7.181 -11.360 1.00 3.50 C ATOM 0 H ALA A 319 7.429 5.713 -9.389 1.00 73.04 H new ATOM 0 HA ALA A 319 9.307 7.906 -9.804 1.00 31.23 H new ATOM 0 HB1 ALA A 319 8.164 8.059 -11.992 1.00 3.50 H new ATOM 0 HB2 ALA A 319 8.738 6.408 -11.661 1.00 3.50 H new ATOM 0 HB3 ALA A 319 7.014 6.805 -11.470 1.00 3.50 H new ATOM 149 N GLN A 320 6.079 8.368 -9.285 1.00 40.33 N ATOM 150 CA GLN A 320 5.092 9.363 -8.883 1.00 34.23 C ATOM 151 C GLN A 320 5.571 10.143 -7.663 1.00 42.54 C ATOM 152 O GLN A 320 5.249 11.320 -7.503 1.00 11.04 O ATOM 153 CB GLN A 320 3.753 8.689 -8.577 1.00 70.41 C ATOM 154 CG GLN A 320 3.702 8.030 -7.208 1.00 11.21 C ATOM 155 CD GLN A 320 3.199 8.968 -6.128 1.00 23.21 C ATOM 156 OE1 GLN A 320 3.987 9.595 -5.419 1.00 14.05 O ATOM 157 NE2 GLN A 320 1.882 9.069 -5.997 1.00 72.32 N ATOM 0 H GLN A 320 5.708 7.424 -9.393 1.00 40.33 H new ATOM 0 HA GLN A 320 4.960 10.061 -9.710 1.00 34.23 H new ATOM 0 HB2 GLN A 320 2.958 9.432 -8.643 1.00 70.41 H new ATOM 0 HB3 GLN A 320 3.551 7.938 -9.340 1.00 70.41 H new ATOM 0 HG2 GLN A 320 3.054 7.154 -7.254 1.00 11.21 H new ATOM 0 HG3 GLN A 320 4.698 7.676 -6.942 1.00 11.21 H new ATOM 0 HE21 GLN A 320 1.266 8.531 -6.606 1.00 72.32 H new ATOM 0 HE22 GLN A 320 1.486 9.685 -5.287 1.00 72.32 H new ATOM 166 N GLU A 321 6.342 9.480 -6.808 1.00 24.13 N ATOM 167 CA GLU A 321 6.865 10.113 -5.602 1.00 71.43 C ATOM 168 C GLU A 321 8.089 10.966 -5.923 1.00 31.25 C ATOM 169 O GLU A 321 8.294 12.022 -5.326 1.00 44.32 O ATOM 170 CB GLU A 321 7.227 9.053 -4.559 1.00 52.23 C ATOM 171 CG GLU A 321 8.371 8.147 -4.984 1.00 15.25 C ATOM 172 CD GLU A 321 8.727 7.123 -3.924 1.00 3.02 C ATOM 173 OE1 GLU A 321 9.933 6.855 -3.738 1.00 52.54 O ATOM 174 OE2 GLU A 321 7.800 6.589 -3.280 1.00 10.24 O ATOM 0 H GLU A 321 6.619 8.505 -6.927 1.00 24.13 H new ATOM 0 HA GLU A 321 6.088 10.761 -5.196 1.00 71.43 H new ATOM 0 HB2 GLU A 321 7.495 9.550 -3.626 1.00 52.23 H new ATOM 0 HB3 GLU A 321 6.348 8.442 -4.354 1.00 52.23 H new ATOM 0 HG2 GLU A 321 8.099 7.632 -5.905 1.00 15.25 H new ATOM 0 HG3 GLU A 321 9.248 8.755 -5.206 1.00 15.25 H new ATOM 181 N GLU A 322 8.898 10.498 -6.868 1.00 2.11 N ATOM 182 CA GLU A 322 10.102 11.217 -7.266 1.00 45.41 C ATOM 183 C GLU A 322 9.748 12.503 -8.009 1.00 20.35 C ATOM 184 O GLU A 322 10.306 13.565 -7.733 1.00 51.02 O ATOM 185 CB GLU A 322 10.984 10.332 -8.149 1.00 73.34 C ATOM 186 CG GLU A 322 11.984 9.497 -7.368 1.00 63.32 C ATOM 187 CD GLU A 322 12.751 8.530 -8.249 1.00 63.13 C ATOM 188 OE1 GLU A 322 13.229 8.955 -9.322 1.00 5.05 O ATOM 189 OE2 GLU A 322 12.873 7.348 -7.866 1.00 23.43 O ATOM 0 H GLU A 322 8.742 9.625 -7.372 1.00 2.11 H new ATOM 0 HA GLU A 322 10.652 11.479 -6.362 1.00 45.41 H new ATOM 0 HB2 GLU A 322 10.348 9.668 -8.734 1.00 73.34 H new ATOM 0 HB3 GLU A 322 11.523 10.962 -8.856 1.00 73.34 H new ATOM 0 HG2 GLU A 322 12.688 10.158 -6.863 1.00 63.32 H new ATOM 0 HG3 GLU A 322 11.459 8.938 -6.593 1.00 63.32 H new ATOM 196 N ARG A 323 8.817 12.397 -8.951 1.00 63.03 N ATOM 197 CA ARG A 323 8.389 13.549 -9.735 1.00 3.40 C ATOM 198 C ARG A 323 7.735 14.601 -8.843 1.00 64.21 C ATOM 199 O ARG A 323 8.208 15.735 -8.752 1.00 62.44 O ATOM 200 CB ARG A 323 7.413 13.115 -10.829 1.00 74.42 C ATOM 201 CG ARG A 323 7.962 12.028 -11.739 1.00 40.34 C ATOM 202 CD ARG A 323 7.359 12.112 -13.133 1.00 62.30 C ATOM 203 NE ARG A 323 8.024 13.117 -13.958 1.00 11.24 N ATOM 204 CZ ARG A 323 7.595 13.481 -15.161 1.00 64.33 C ATOM 205 NH1 ARG A 323 6.508 12.924 -15.678 1.00 4.34 N ATOM 206 NH2 ARG A 323 8.254 14.403 -15.851 1.00 4.22 N ATOM 0 H ARG A 323 8.345 11.525 -9.190 1.00 63.03 H new ATOM 0 HA ARG A 323 9.272 13.989 -10.199 1.00 3.40 H new ATOM 0 HB2 ARG A 323 6.494 12.758 -10.364 1.00 74.42 H new ATOM 0 HB3 ARG A 323 7.148 13.983 -11.433 1.00 74.42 H new ATOM 0 HG2 ARG A 323 9.046 12.120 -11.804 1.00 40.34 H new ATOM 0 HG3 ARG A 323 7.750 11.050 -11.308 1.00 40.34 H new ATOM 0 HD2 ARG A 323 7.432 11.139 -13.618 1.00 62.30 H new ATOM 0 HD3 ARG A 323 6.298 12.351 -13.055 1.00 62.30 H new ATOM 0 HE ARG A 323 8.864 13.564 -13.590 1.00 11.24 H new ATOM 0 HH11 ARG A 323 5.999 12.214 -15.151 1.00 4.34 H new ATOM 0 HH12 ARG A 323 6.181 13.206 -16.602 1.00 4.34 H new ATOM 0 HH21 ARG A 323 9.091 14.833 -15.458 1.00 4.22 H new ATOM 0 HH22 ARG A 323 7.924 14.682 -16.775 1.00 4.22 H new ATOM 220 N LEU A 324 6.646 14.218 -8.187 1.00 72.50 N ATOM 221 CA LEU A 324 5.926 15.127 -7.302 1.00 71.12 C ATOM 222 C LEU A 324 6.872 15.766 -6.291 1.00 45.13 C ATOM 223 O LEU A 324 6.751 16.949 -5.974 1.00 34.35 O ATOM 224 CB LEU A 324 4.809 14.381 -6.571 1.00 33.41 C ATOM 225 CG LEU A 324 3.448 14.358 -7.269 1.00 23.43 C ATOM 226 CD1 LEU A 324 3.581 13.803 -8.678 1.00 72.44 C ATOM 227 CD2 LEU A 324 2.449 13.540 -6.463 1.00 65.41 C ATOM 0 H LEU A 324 6.242 13.284 -8.251 1.00 72.50 H new ATOM 0 HA LEU A 324 5.488 15.917 -7.912 1.00 71.12 H new ATOM 0 HB2 LEU A 324 5.131 13.352 -6.412 1.00 33.41 H new ATOM 0 HB3 LEU A 324 4.682 14.831 -5.587 1.00 33.41 H new ATOM 0 HG LEU A 324 3.078 15.381 -7.337 1.00 23.43 H new ATOM 0 HD11 LEU A 324 2.603 13.794 -9.159 1.00 72.44 H new ATOM 0 HD12 LEU A 324 4.263 14.430 -9.253 1.00 72.44 H new ATOM 0 HD13 LEU A 324 3.973 12.787 -8.633 1.00 72.44 H new ATOM 0 HD21 LEU A 324 1.486 13.535 -6.974 1.00 65.41 H new ATOM 0 HD22 LEU A 324 2.813 12.517 -6.363 1.00 65.41 H new ATOM 0 HD23 LEU A 324 2.332 13.982 -5.473 1.00 65.41 H new ATOM 239 N ALA A 325 7.817 14.976 -5.791 1.00 51.10 N ATOM 240 CA ALA A 325 8.787 15.466 -4.820 1.00 20.13 C ATOM 241 C ALA A 325 9.533 16.684 -5.355 1.00 32.43 C ATOM 242 O ALA A 325 9.860 17.602 -4.603 1.00 44.34 O ATOM 243 CB ALA A 325 9.769 14.363 -4.452 1.00 14.01 C ATOM 0 H ALA A 325 7.931 13.994 -6.043 1.00 51.10 H new ATOM 0 HA ALA A 325 8.245 15.769 -3.924 1.00 20.13 H new ATOM 0 HB1 ALA A 325 10.488 14.743 -3.726 1.00 14.01 H new ATOM 0 HB2 ALA A 325 9.227 13.522 -4.020 1.00 14.01 H new ATOM 0 HB3 ALA A 325 10.297 14.033 -5.347 1.00 14.01 H new ATOM 249 N ASP A 326 9.799 16.684 -6.656 1.00 73.22 N ATOM 250 CA ASP A 326 10.506 17.789 -7.292 1.00 0.40 C ATOM 251 C ASP A 326 9.572 18.974 -7.518 1.00 33.11 C ATOM 252 O ASP A 326 9.950 20.127 -7.305 1.00 25.51 O ATOM 253 CB ASP A 326 11.109 17.339 -8.623 1.00 64.42 C ATOM 254 CG ASP A 326 12.012 18.391 -9.236 1.00 10.43 C ATOM 255 OD1 ASP A 326 12.423 18.215 -10.402 1.00 2.30 O ATOM 256 OD2 ASP A 326 12.307 19.392 -8.549 1.00 75.03 O ATOM 0 H ASP A 326 9.536 15.931 -7.291 1.00 73.22 H new ATOM 0 HA ASP A 326 11.309 18.104 -6.626 1.00 0.40 H new ATOM 0 HB2 ASP A 326 11.677 16.422 -8.469 1.00 64.42 H new ATOM 0 HB3 ASP A 326 10.306 17.103 -9.321 1.00 64.42 H new ATOM 261 N LEU A 327 8.350 18.683 -7.951 1.00 62.04 N ATOM 262 CA LEU A 327 7.361 19.724 -8.208 1.00 1.24 C ATOM 263 C LEU A 327 7.033 20.490 -6.930 1.00 3.21 C ATOM 264 O LEU A 327 6.809 21.700 -6.960 1.00 33.31 O ATOM 265 CB LEU A 327 6.086 19.112 -8.790 1.00 61.20 C ATOM 266 CG LEU A 327 6.006 19.054 -10.316 1.00 33.31 C ATOM 267 CD1 LEU A 327 4.723 18.366 -10.757 1.00 62.20 C ATOM 268 CD2 LEU A 327 6.094 20.453 -10.908 1.00 74.31 C ATOM 0 H LEU A 327 8.020 17.735 -8.131 1.00 62.04 H new ATOM 0 HA LEU A 327 7.784 20.422 -8.931 1.00 1.24 H new ATOM 0 HB2 LEU A 327 5.983 18.099 -8.402 1.00 61.20 H new ATOM 0 HB3 LEU A 327 5.233 19.682 -8.423 1.00 61.20 H new ATOM 0 HG LEU A 327 6.851 18.472 -10.684 1.00 33.31 H new ATOM 0 HD11 LEU A 327 4.683 18.334 -11.846 1.00 62.20 H new ATOM 0 HD12 LEU A 327 4.701 17.350 -10.363 1.00 62.20 H new ATOM 0 HD13 LEU A 327 3.864 18.921 -10.379 1.00 62.20 H new ATOM 0 HD21 LEU A 327 6.035 20.393 -11.995 1.00 74.31 H new ATOM 0 HD22 LEU A 327 5.269 21.059 -10.533 1.00 74.31 H new ATOM 0 HD23 LEU A 327 7.041 20.911 -10.621 1.00 74.31 H new ATOM 280 N ALA A 328 7.010 19.777 -5.808 1.00 53.55 N ATOM 281 CA ALA A 328 6.714 20.391 -4.520 1.00 32.33 C ATOM 282 C ALA A 328 7.602 21.606 -4.273 1.00 20.50 C ATOM 283 O ALA A 328 7.153 22.615 -3.730 1.00 32.21 O ATOM 284 CB ALA A 328 6.883 19.374 -3.400 1.00 45.42 C ATOM 0 H ALA A 328 7.193 18.774 -5.766 1.00 53.55 H new ATOM 0 HA ALA A 328 5.678 20.729 -4.536 1.00 32.33 H new ATOM 0 HB1 ALA A 328 6.659 19.846 -2.443 1.00 45.42 H new ATOM 0 HB2 ALA A 328 6.202 18.539 -3.561 1.00 45.42 H new ATOM 0 HB3 ALA A 328 7.910 19.008 -3.392 1.00 45.42 H new ATOM 290 N SER A 329 8.865 21.501 -4.675 1.00 13.02 N ATOM 291 CA SER A 329 9.817 22.590 -4.493 1.00 23.11 C ATOM 292 C SER A 329 9.613 23.673 -5.548 1.00 72.43 C ATOM 293 O SER A 329 9.759 24.863 -5.269 1.00 32.30 O ATOM 294 CB SER A 329 11.250 22.059 -4.562 1.00 25.12 C ATOM 295 OG SER A 329 12.191 23.102 -4.375 1.00 14.53 O ATOM 0 H SER A 329 9.252 20.673 -5.128 1.00 13.02 H new ATOM 0 HA SER A 329 9.646 23.028 -3.510 1.00 23.11 H new ATOM 0 HB2 SER A 329 11.395 21.294 -3.799 1.00 25.12 H new ATOM 0 HB3 SER A 329 11.418 21.582 -5.528 1.00 25.12 H new ATOM 0 HG SER A 329 13.099 22.736 -4.422 1.00 14.53 H new ATOM 301 N ASP A 330 9.274 23.251 -6.761 1.00 61.55 N ATOM 302 CA ASP A 330 9.048 24.183 -7.860 1.00 21.21 C ATOM 303 C ASP A 330 8.057 25.269 -7.455 1.00 55.22 C ATOM 304 O ASP A 330 8.343 26.461 -7.574 1.00 13.31 O ATOM 305 CB ASP A 330 8.532 23.437 -9.092 1.00 2.33 C ATOM 306 CG ASP A 330 7.907 24.368 -10.112 1.00 50.10 C ATOM 307 OD1 ASP A 330 6.684 24.603 -10.029 1.00 15.12 O ATOM 308 OD2 ASP A 330 8.641 24.861 -10.994 1.00 70.04 O ATOM 0 H ASP A 330 9.150 22.269 -7.008 1.00 61.55 H new ATOM 0 HA ASP A 330 9.999 24.657 -8.104 1.00 21.21 H new ATOM 0 HB2 ASP A 330 9.356 22.894 -9.556 1.00 2.33 H new ATOM 0 HB3 ASP A 330 7.796 22.695 -8.782 1.00 2.33 H new ATOM 313 N LEU A 331 6.890 24.850 -6.978 1.00 72.01 N ATOM 314 CA LEU A 331 5.854 25.787 -6.557 1.00 3.25 C ATOM 315 C LEU A 331 6.281 26.541 -5.301 1.00 13.10 C ATOM 316 O LEU A 331 6.006 27.733 -5.156 1.00 35.11 O ATOM 317 CB LEU A 331 4.542 25.045 -6.299 1.00 13.33 C ATOM 318 CG LEU A 331 4.533 24.093 -5.102 1.00 53.13 C ATOM 319 CD1 LEU A 331 4.083 24.820 -3.845 1.00 14.23 C ATOM 320 CD2 LEU A 331 3.634 22.897 -5.380 1.00 32.14 C ATOM 0 H LEU A 331 6.637 23.867 -6.873 1.00 72.01 H new ATOM 0 HA LEU A 331 5.703 26.509 -7.359 1.00 3.25 H new ATOM 0 HB2 LEU A 331 3.752 25.783 -6.157 1.00 13.33 H new ATOM 0 HB3 LEU A 331 4.288 24.475 -7.193 1.00 13.33 H new ATOM 0 HG LEU A 331 5.548 23.730 -4.942 1.00 53.13 H new ATOM 0 HD11 LEU A 331 4.083 24.127 -3.004 1.00 14.23 H new ATOM 0 HD12 LEU A 331 4.766 25.643 -3.636 1.00 14.23 H new ATOM 0 HD13 LEU A 331 3.077 25.212 -3.992 1.00 14.23 H new ATOM 0 HD21 LEU A 331 3.639 22.230 -4.518 1.00 32.14 H new ATOM 0 HD22 LEU A 331 2.617 23.242 -5.566 1.00 32.14 H new ATOM 0 HD23 LEU A 331 4.001 22.362 -6.256 1.00 32.14 H new ATOM 332 N LEU A 332 6.956 25.840 -4.397 1.00 34.12 N ATOM 333 CA LEU A 332 7.423 26.443 -3.154 1.00 11.34 C ATOM 334 C LEU A 332 8.229 27.708 -3.431 1.00 63.15 C ATOM 335 O LEU A 332 8.064 28.724 -2.754 1.00 64.44 O ATOM 336 CB LEU A 332 8.274 25.445 -2.367 1.00 70.43 C ATOM 337 CG LEU A 332 8.513 25.780 -0.895 1.00 31.54 C ATOM 338 CD1 LEU A 332 8.930 24.536 -0.125 1.00 64.12 C ATOM 339 CD2 LEU A 332 9.565 26.871 -0.760 1.00 30.33 C ATOM 0 H LEU A 332 7.192 24.853 -4.502 1.00 34.12 H new ATOM 0 HA LEU A 332 6.550 26.713 -2.561 1.00 11.34 H new ATOM 0 HB2 LEU A 332 7.796 24.467 -2.423 1.00 70.43 H new ATOM 0 HB3 LEU A 332 9.242 25.355 -2.860 1.00 70.43 H new ATOM 0 HG LEU A 332 7.579 26.149 -0.470 1.00 31.54 H new ATOM 0 HD11 LEU A 332 9.096 24.794 0.921 1.00 64.12 H new ATOM 0 HD12 LEU A 332 8.143 23.785 -0.193 1.00 64.12 H new ATOM 0 HD13 LEU A 332 9.851 24.136 -0.550 1.00 64.12 H new ATOM 0 HD21 LEU A 332 9.722 27.096 0.295 1.00 30.33 H new ATOM 0 HD22 LEU A 332 10.501 26.530 -1.202 1.00 30.33 H new ATOM 0 HD23 LEU A 332 9.226 27.769 -1.276 1.00 30.33 H new ATOM 351 N LEU A 333 9.100 27.640 -4.432 1.00 71.14 N ATOM 352 CA LEU A 333 9.931 28.780 -4.802 1.00 40.43 C ATOM 353 C LEU A 333 9.088 29.890 -5.422 1.00 40.24 C ATOM 354 O LEU A 333 9.343 31.073 -5.200 1.00 42.42 O ATOM 355 CB LEU A 333 11.022 28.345 -5.782 1.00 40.12 C ATOM 356 CG LEU A 333 12.148 27.491 -5.197 1.00 54.14 C ATOM 357 CD1 LEU A 333 12.720 26.564 -6.258 1.00 63.20 C ATOM 358 CD2 LEU A 333 13.240 28.375 -4.613 1.00 53.44 C ATOM 0 H LEU A 333 9.249 26.807 -5.002 1.00 71.14 H new ATOM 0 HA LEU A 333 10.398 29.166 -3.896 1.00 40.43 H new ATOM 0 HB2 LEU A 333 10.553 27.787 -6.592 1.00 40.12 H new ATOM 0 HB3 LEU A 333 11.463 29.239 -6.224 1.00 40.12 H new ATOM 0 HG LEU A 333 11.736 26.880 -4.394 1.00 54.14 H new ATOM 0 HD11 LEU A 333 13.520 25.964 -5.824 1.00 63.20 H new ATOM 0 HD12 LEU A 333 11.934 25.907 -6.629 1.00 63.20 H new ATOM 0 HD13 LEU A 333 13.117 27.156 -7.083 1.00 63.20 H new ATOM 0 HD21 LEU A 333 14.033 27.750 -4.201 1.00 53.44 H new ATOM 0 HD22 LEU A 333 13.650 29.012 -5.396 1.00 53.44 H new ATOM 0 HD23 LEU A 333 12.821 28.997 -3.822 1.00 53.44 H new ATOM 370 N GLN A 334 8.082 29.499 -6.198 1.00 64.03 N ATOM 371 CA GLN A 334 7.201 30.461 -6.849 1.00 0.42 C ATOM 372 C GLN A 334 6.580 31.408 -5.827 1.00 44.41 C ATOM 373 O GLN A 334 6.483 32.613 -6.061 1.00 43.23 O ATOM 374 CB GLN A 334 6.100 29.734 -7.623 1.00 10.42 C ATOM 375 CG GLN A 334 5.146 30.670 -8.347 1.00 13.53 C ATOM 376 CD GLN A 334 5.205 30.513 -9.853 1.00 75.04 C ATOM 377 OE1 GLN A 334 4.173 30.456 -10.524 1.00 23.21 O ATOM 378 NE2 GLN A 334 6.415 30.442 -10.395 1.00 0.04 N ATOM 0 H GLN A 334 7.857 28.523 -6.391 1.00 64.03 H new ATOM 0 HA GLN A 334 7.798 31.049 -7.546 1.00 0.42 H new ATOM 0 HB2 GLN A 334 6.560 29.064 -8.350 1.00 10.42 H new ATOM 0 HB3 GLN A 334 5.531 29.112 -6.932 1.00 10.42 H new ATOM 0 HG2 GLN A 334 4.128 30.481 -8.005 1.00 13.53 H new ATOM 0 HG3 GLN A 334 5.384 31.700 -8.083 1.00 13.53 H new ATOM 0 HE21 GLN A 334 7.243 30.493 -9.802 1.00 0.04 H new ATOM 0 HE22 GLN A 334 6.516 30.336 -11.404 1.00 0.04 H new ATOM 387 N TYR A 335 6.161 30.856 -4.694 1.00 65.11 N ATOM 388 CA TYR A 335 5.547 31.651 -3.637 1.00 43.04 C ATOM 389 C TYR A 335 6.483 32.766 -3.181 1.00 1.21 C ATOM 390 O TYR A 335 6.042 33.869 -2.856 1.00 51.43 O ATOM 391 CB TYR A 335 5.179 30.761 -2.449 1.00 72.02 C ATOM 392 CG TYR A 335 4.090 31.339 -1.574 1.00 51.41 C ATOM 393 CD1 TYR A 335 4.401 32.136 -0.480 1.00 12.55 C ATOM 394 CD2 TYR A 335 2.750 31.089 -1.843 1.00 13.42 C ATOM 395 CE1 TYR A 335 3.409 32.666 0.323 1.00 0.20 C ATOM 396 CE2 TYR A 335 1.751 31.616 -1.047 1.00 1.24 C ATOM 397 CZ TYR A 335 2.086 32.403 0.035 1.00 11.54 C ATOM 398 OH TYR A 335 1.095 32.931 0.832 1.00 70.55 O ATOM 0 H TYR A 335 6.235 29.861 -4.484 1.00 65.11 H new ATOM 0 HA TYR A 335 4.640 32.104 -4.038 1.00 43.04 H new ATOM 0 HB2 TYR A 335 4.857 29.788 -2.821 1.00 72.02 H new ATOM 0 HB3 TYR A 335 6.069 30.592 -1.843 1.00 72.02 H new ATOM 0 HD1 TYR A 335 5.436 32.345 -0.253 1.00 12.55 H new ATOM 0 HD2 TYR A 335 2.485 30.472 -2.689 1.00 13.42 H new ATOM 0 HE1 TYR A 335 3.668 33.282 1.171 1.00 0.20 H new ATOM 0 HE2 TYR A 335 0.714 31.413 -1.271 1.00 1.24 H new ATOM 0 HH TYR A 335 0.219 32.652 0.493 1.00 70.55 H new ATOM 408 N LEU A 336 7.778 32.471 -3.159 1.00 61.31 N ATOM 409 CA LEU A 336 8.779 33.447 -2.743 1.00 52.44 C ATOM 410 C LEU A 336 8.790 34.649 -3.683 1.00 11.23 C ATOM 411 O LEU A 336 8.426 35.759 -3.292 1.00 43.41 O ATOM 412 CB LEU A 336 10.165 32.802 -2.706 1.00 42.11 C ATOM 413 CG LEU A 336 10.237 31.401 -2.098 1.00 61.24 C ATOM 414 CD1 LEU A 336 11.676 30.909 -2.059 1.00 12.43 C ATOM 415 CD2 LEU A 336 9.630 31.393 -0.703 1.00 21.20 C ATOM 0 H LEU A 336 8.160 31.563 -3.425 1.00 61.31 H new ATOM 0 HA LEU A 336 8.520 33.793 -1.742 1.00 52.44 H new ATOM 0 HB2 LEU A 336 10.549 32.754 -3.725 1.00 42.11 H new ATOM 0 HB3 LEU A 336 10.833 33.455 -2.144 1.00 42.11 H new ATOM 0 HG LEU A 336 9.660 30.723 -2.727 1.00 61.24 H new ATOM 0 HD11 LEU A 336 11.707 29.910 -1.623 1.00 12.43 H new ATOM 0 HD12 LEU A 336 12.077 30.876 -3.072 1.00 12.43 H new ATOM 0 HD13 LEU A 336 12.276 31.588 -1.454 1.00 12.43 H new ATOM 0 HD21 LEU A 336 9.690 30.388 -0.286 1.00 21.20 H new ATOM 0 HD22 LEU A 336 10.179 32.085 -0.064 1.00 21.20 H new ATOM 0 HD23 LEU A 336 8.586 31.701 -0.759 1.00 21.20 H new ATOM 427 N LEU A 337 9.207 34.420 -4.923 1.00 2.21 N ATOM 428 CA LEU A 337 9.263 35.484 -5.920 1.00 24.32 C ATOM 429 C LEU A 337 7.901 36.151 -6.081 1.00 44.24 C ATOM 430 O LEU A 337 7.805 37.376 -6.147 1.00 54.24 O ATOM 431 CB LEU A 337 9.733 34.925 -7.264 1.00 40.12 C ATOM 432 CG LEU A 337 9.796 35.923 -8.421 1.00 14.32 C ATOM 433 CD1 LEU A 337 10.937 35.577 -9.364 1.00 21.30 C ATOM 434 CD2 LEU A 337 8.472 35.954 -9.171 1.00 60.21 C ATOM 0 H LEU A 337 9.511 33.508 -5.262 1.00 2.21 H new ATOM 0 HA LEU A 337 9.975 36.234 -5.577 1.00 24.32 H new ATOM 0 HB2 LEU A 337 10.725 34.493 -7.128 1.00 40.12 H new ATOM 0 HB3 LEU A 337 9.067 34.111 -7.549 1.00 40.12 H new ATOM 0 HG LEU A 337 9.981 36.915 -8.010 1.00 14.32 H new ATOM 0 HD11 LEU A 337 10.966 36.298 -10.181 1.00 21.30 H new ATOM 0 HD12 LEU A 337 11.881 35.608 -8.820 1.00 21.30 H new ATOM 0 HD13 LEU A 337 10.784 34.577 -9.769 1.00 21.30 H new ATOM 0 HD21 LEU A 337 8.535 36.669 -9.991 1.00 60.21 H new ATOM 0 HD22 LEU A 337 8.257 34.963 -9.570 1.00 60.21 H new ATOM 0 HD23 LEU A 337 7.675 36.252 -8.490 1.00 60.21 H new ATOM 446 N GLN A 338 6.853 35.337 -6.142 1.00 53.04 N ATOM 447 CA GLN A 338 5.496 35.850 -6.295 1.00 21.45 C ATOM 448 C GLN A 338 5.195 36.914 -5.244 1.00 63.32 C ATOM 449 O GLN A 338 4.497 37.889 -5.516 1.00 74.05 O ATOM 450 CB GLN A 338 4.482 34.709 -6.187 1.00 44.11 C ATOM 451 CG GLN A 338 3.059 35.127 -6.518 1.00 12.43 C ATOM 452 CD GLN A 338 2.109 33.949 -6.600 1.00 54.15 C ATOM 453 OE1 GLN A 338 1.293 33.730 -5.704 1.00 51.43 O ATOM 454 NE2 GLN A 338 2.209 33.182 -7.680 1.00 11.12 N ATOM 0 H GLN A 338 6.917 34.320 -6.088 1.00 53.04 H new ATOM 0 HA GLN A 338 5.416 36.306 -7.282 1.00 21.45 H new ATOM 0 HB2 GLN A 338 4.781 33.904 -6.858 1.00 44.11 H new ATOM 0 HB3 GLN A 338 4.507 34.306 -5.175 1.00 44.11 H new ATOM 0 HG2 GLN A 338 2.703 35.824 -5.759 1.00 12.43 H new ATOM 0 HG3 GLN A 338 3.053 35.661 -7.468 1.00 12.43 H new ATOM 0 HE21 GLN A 338 2.900 33.400 -8.398 1.00 11.12 H new ATOM 0 HE22 GLN A 338 1.595 32.375 -7.791 1.00 11.12 H new ATOM 463 N GLY A 339 5.728 36.719 -4.041 1.00 72.45 N ATOM 464 CA GLY A 339 5.504 37.669 -2.968 1.00 44.42 C ATOM 465 C GLY A 339 5.977 39.065 -3.323 1.00 13.53 C ATOM 466 O GLY A 339 5.327 40.053 -2.983 1.00 53.22 O ATOM 0 H GLY A 339 6.311 35.920 -3.791 1.00 72.45 H new ATOM 0 HA2 GLY A 339 4.441 37.699 -2.729 1.00 44.42 H new ATOM 0 HA3 GLY A 339 6.023 37.330 -2.072 1.00 44.42 H new ATOM 470 N GLY A 340 7.114 39.148 -4.007 1.00 11.10 N ATOM 471 CA GLY A 340 7.654 40.438 -4.395 1.00 24.15 C ATOM 472 C GLY A 340 7.149 40.895 -5.749 1.00 25.12 C ATOM 473 O GLY A 340 6.968 42.090 -5.980 1.00 64.12 O ATOM 0 H GLY A 340 7.671 38.345 -4.299 1.00 11.10 H new ATOM 0 HA2 GLY A 340 7.389 41.181 -3.642 1.00 24.15 H new ATOM 0 HA3 GLY A 340 8.742 40.381 -4.417 1.00 24.15 H new ATOM 477 N ALA A 341 6.923 39.942 -6.647 1.00 21.44 N ATOM 478 CA ALA A 341 6.436 40.253 -7.985 1.00 20.42 C ATOM 479 C ALA A 341 5.195 41.136 -7.925 1.00 54.25 C ATOM 480 O ALA A 341 5.071 42.101 -8.680 1.00 4.20 O ATOM 481 CB ALA A 341 6.138 38.971 -8.749 1.00 41.21 C ATOM 0 H ALA A 341 7.069 38.948 -6.472 1.00 21.44 H new ATOM 0 HA ALA A 341 7.216 40.803 -8.511 1.00 20.42 H new ATOM 0 HB1 ALA A 341 5.775 39.218 -9.747 1.00 41.21 H new ATOM 0 HB2 ALA A 341 7.048 38.376 -8.831 1.00 41.21 H new ATOM 0 HB3 ALA A 341 5.377 38.399 -8.217 1.00 41.21 H new ATOM 487 N ARG A 342 4.277 40.800 -7.025 1.00 31.30 N ATOM 488 CA ARG A 342 3.044 41.562 -6.869 1.00 71.12 C ATOM 489 C ARG A 342 3.338 42.977 -6.379 1.00 34.44 C ATOM 490 O ARG A 342 2.687 43.935 -6.795 1.00 24.01 O ATOM 491 CB ARG A 342 2.103 40.856 -5.891 1.00 3.34 C ATOM 492 CG ARG A 342 2.717 40.618 -4.521 1.00 31.14 C ATOM 493 CD ARG A 342 2.069 39.435 -3.818 1.00 63.23 C ATOM 494 NE ARG A 342 2.108 39.573 -2.365 1.00 22.31 N ATOM 495 CZ ARG A 342 1.779 38.597 -1.525 1.00 41.51 C ATOM 496 NH1 ARG A 342 1.389 37.419 -1.992 1.00 44.41 N ATOM 497 NH2 ARG A 342 1.840 38.800 -0.215 1.00 62.41 N ATOM 0 H ARG A 342 4.364 40.005 -6.392 1.00 31.30 H new ATOM 0 HA ARG A 342 2.560 41.627 -7.844 1.00 71.12 H new ATOM 0 HB2 ARG A 342 1.198 41.452 -5.776 1.00 3.34 H new ATOM 0 HB3 ARG A 342 1.802 39.899 -6.316 1.00 3.34 H new ATOM 0 HG2 ARG A 342 3.787 40.438 -4.627 1.00 31.14 H new ATOM 0 HG3 ARG A 342 2.603 41.513 -3.909 1.00 31.14 H new ATOM 0 HD2 ARG A 342 1.034 39.342 -4.145 1.00 63.23 H new ATOM 0 HD3 ARG A 342 2.579 38.517 -4.109 1.00 63.23 H new ATOM 0 HE ARG A 342 2.404 40.467 -1.973 1.00 22.31 H new ATOM 0 HH11 ARG A 342 1.341 37.260 -2.998 1.00 44.41 H new ATOM 0 HH12 ARG A 342 1.137 36.672 -1.345 1.00 44.41 H new ATOM 0 HH21 ARG A 342 2.139 39.705 0.147 1.00 62.41 H new ATOM 0 HH22 ARG A 342 1.587 38.051 0.429 1.00 62.41 H new ATOM 511 N GLN A 343 4.320 43.098 -5.492 1.00 22.12 N ATOM 512 CA GLN A 343 4.698 44.395 -4.944 1.00 44.21 C ATOM 513 C GLN A 343 5.189 45.329 -6.046 1.00 14.24 C ATOM 514 O GLN A 343 4.921 46.531 -6.019 1.00 23.43 O ATOM 515 CB GLN A 343 5.785 44.226 -3.881 1.00 43.41 C ATOM 516 CG GLN A 343 5.240 43.899 -2.500 1.00 62.23 C ATOM 517 CD GLN A 343 6.291 44.021 -1.414 1.00 73.32 C ATOM 518 OE1 GLN A 343 6.110 44.750 -0.439 1.00 10.22 O ATOM 519 NE2 GLN A 343 7.397 43.305 -1.577 1.00 62.13 N ATOM 0 H GLN A 343 4.868 42.314 -5.138 1.00 22.12 H new ATOM 0 HA GLN A 343 3.815 44.838 -4.483 1.00 44.21 H new ATOM 0 HB2 GLN A 343 6.465 43.433 -4.191 1.00 43.41 H new ATOM 0 HB3 GLN A 343 6.371 45.143 -3.823 1.00 43.41 H new ATOM 0 HG2 GLN A 343 4.410 44.568 -2.274 1.00 62.23 H new ATOM 0 HG3 GLN A 343 4.841 42.885 -2.502 1.00 62.23 H new ATOM 0 HE21 GLN A 343 7.505 42.714 -2.401 1.00 62.13 H new ATOM 0 HE22 GLN A 343 8.139 43.346 -0.878 1.00 62.13 H new ATOM 528 N ARG A 344 5.907 44.769 -7.013 1.00 45.10 N ATOM 529 CA ARG A 344 6.436 45.552 -8.123 1.00 44.40 C ATOM 530 C ARG A 344 5.307 46.212 -8.910 1.00 5.04 C ATOM 531 O ARG A 344 5.431 47.353 -9.354 1.00 35.42 O ATOM 532 CB ARG A 344 7.268 44.665 -9.051 1.00 30.21 C ATOM 533 CG ARG A 344 8.067 45.443 -10.083 1.00 62.03 C ATOM 534 CD ARG A 344 9.376 45.957 -9.503 1.00 73.42 C ATOM 535 NE ARG A 344 10.352 46.266 -10.544 1.00 61.34 N ATOM 536 CZ ARG A 344 11.648 46.440 -10.309 1.00 33.14 C ATOM 537 NH1 ARG A 344 12.120 46.336 -9.074 1.00 61.42 N ATOM 538 NH2 ARG A 344 12.474 46.719 -11.309 1.00 33.31 N ATOM 0 H ARG A 344 6.136 43.776 -7.051 1.00 45.10 H new ATOM 0 HA ARG A 344 7.074 46.334 -7.711 1.00 44.40 H new ATOM 0 HB2 ARG A 344 7.953 44.066 -8.450 1.00 30.21 H new ATOM 0 HB3 ARG A 344 6.605 43.970 -9.566 1.00 30.21 H new ATOM 0 HG2 ARG A 344 8.274 44.804 -10.941 1.00 62.03 H new ATOM 0 HG3 ARG A 344 7.474 46.283 -10.446 1.00 62.03 H new ATOM 0 HD2 ARG A 344 9.183 46.851 -8.910 1.00 73.42 H new ATOM 0 HD3 ARG A 344 9.791 45.209 -8.827 1.00 73.42 H new ATOM 0 HE ARG A 344 10.021 46.353 -11.505 1.00 61.34 H new ATOM 0 HH11 ARG A 344 11.488 46.122 -8.303 1.00 61.42 H new ATOM 0 HH12 ARG A 344 13.115 46.470 -8.895 1.00 61.42 H new ATOM 0 HH21 ARG A 344 12.114 46.800 -12.260 1.00 33.31 H new ATOM 0 HH22 ARG A 344 13.469 46.852 -11.127 1.00 33.31 H new ATOM 552 N GLY A 345 4.207 45.485 -9.078 1.00 60.13 N ATOM 553 CA GLY A 345 3.073 46.015 -9.812 1.00 13.43 C ATOM 554 C GLY A 345 2.441 47.207 -9.120 1.00 42.32 C ATOM 555 O GLY A 345 2.132 48.214 -9.760 1.00 23.23 O ATOM 0 H GLY A 345 4.081 44.539 -8.719 1.00 60.13 H new ATOM 0 HA2 GLY A 345 3.395 46.308 -10.811 1.00 13.43 H new ATOM 0 HA3 GLY A 345 2.325 45.232 -9.935 1.00 13.43 H new ATOM 559 N LEU A 346 2.247 47.095 -7.811 1.00 32.11 N ATOM 560 CA LEU A 346 1.646 48.172 -7.031 1.00 70.35 C ATOM 561 C LEU A 346 2.564 49.389 -6.986 1.00 22.22 C ATOM 562 O LEU A 346 3.741 49.279 -6.646 1.00 24.30 O ATOM 563 CB LEU A 346 1.345 47.692 -5.610 1.00 54.44 C ATOM 564 CG LEU A 346 0.958 48.777 -4.604 1.00 61.11 C ATOM 565 CD1 LEU A 346 -0.262 49.545 -5.089 1.00 20.51 C ATOM 566 CD2 LEU A 346 0.697 48.166 -3.235 1.00 74.53 C ATOM 0 H LEU A 346 2.497 46.269 -7.267 1.00 32.11 H new ATOM 0 HA LEU A 346 0.713 48.462 -7.515 1.00 70.35 H new ATOM 0 HB2 LEU A 346 0.536 46.963 -5.658 1.00 54.44 H new ATOM 0 HB3 LEU A 346 2.223 47.169 -5.231 1.00 54.44 H new ATOM 0 HG LEU A 346 1.789 49.476 -4.515 1.00 61.11 H new ATOM 0 HD11 LEU A 346 -0.522 50.313 -4.360 1.00 20.51 H new ATOM 0 HD12 LEU A 346 -0.039 50.015 -6.047 1.00 20.51 H new ATOM 0 HD13 LEU A 346 -1.100 48.859 -5.208 1.00 20.51 H new ATOM 0 HD21 LEU A 346 0.423 48.952 -2.532 1.00 74.53 H new ATOM 0 HD22 LEU A 346 -0.117 47.445 -3.308 1.00 74.53 H new ATOM 0 HD23 LEU A 346 1.598 47.663 -2.883 1.00 74.53 H new