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= -0.237 X(o=-0.24,f=0) USER MOD Single : A 320 GLN : amide:sc= -2.84 K(o=-2.8,f=-12!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.27) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 343 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 4.334 -3.573 -10.416 1.00 13.04 N ATOM 40 CA GLU A 312 3.562 -2.609 -11.191 1.00 0.31 C ATOM 41 C GLU A 312 3.266 -1.360 -10.366 1.00 11.41 C ATOM 42 O GLU A 312 3.675 -0.255 -10.723 1.00 71.44 O ATOM 43 CB GLU A 312 2.253 -3.238 -11.671 1.00 72.14 C ATOM 44 CG GLU A 312 2.445 -4.548 -12.416 1.00 73.52 C ATOM 45 CD GLU A 312 1.152 -5.081 -13.003 1.00 12.10 C ATOM 46 OE1 GLU A 312 1.120 -5.351 -14.221 1.00 74.55 O ATOM 47 OE2 GLU A 312 0.172 -5.227 -12.242 1.00 51.05 O ATOM 0 HA GLU A 312 4.156 -2.319 -12.057 1.00 0.31 H new ATOM 0 HB2 GLU A 312 1.606 -3.410 -10.811 1.00 72.14 H new ATOM 0 HB3 GLU A 312 1.737 -2.532 -12.322 1.00 72.14 H new ATOM 0 HG2 GLU A 312 3.170 -4.403 -13.217 1.00 73.52 H new ATOM 0 HG3 GLU A 312 2.864 -5.290 -11.736 1.00 73.52 H new ATOM 54 N ALA A 313 2.552 -1.543 -9.260 1.00 74.44 N ATOM 55 CA ALA A 313 2.201 -0.433 -8.384 1.00 5.14 C ATOM 56 C ALA A 313 3.450 0.278 -7.873 1.00 41.43 C ATOM 57 O ALA A 313 3.462 1.500 -7.717 1.00 60.03 O ATOM 58 CB ALA A 313 1.359 -0.927 -7.217 1.00 2.12 C ATOM 0 H ALA A 313 2.205 -2.451 -8.950 1.00 74.44 H new ATOM 0 HA ALA A 313 1.617 0.283 -8.962 1.00 5.14 H new ATOM 0 HB1 ALA A 313 1.104 -0.087 -6.571 1.00 2.12 H new ATOM 0 HB2 ALA A 313 0.445 -1.384 -7.596 1.00 2.12 H new ATOM 0 HB3 ALA A 313 1.924 -1.665 -6.647 1.00 2.12 H new ATOM 64 N THR A 314 4.501 -0.493 -7.614 1.00 30.43 N ATOM 65 CA THR A 314 5.754 0.063 -7.119 1.00 61.41 C ATOM 66 C THR A 314 6.353 1.045 -8.120 1.00 33.43 C ATOM 67 O THR A 314 6.932 2.061 -7.736 1.00 15.03 O ATOM 68 CB THR A 314 6.783 -1.045 -6.826 1.00 23.31 C ATOM 69 OG1 THR A 314 6.265 -1.948 -5.842 1.00 51.33 O ATOM 70 CG2 THR A 314 8.094 -0.450 -6.334 1.00 41.14 C ATOM 0 H THR A 314 4.509 -1.505 -7.739 1.00 30.43 H new ATOM 0 HA THR A 314 5.523 0.588 -6.192 1.00 61.41 H new ATOM 0 HB THR A 314 6.973 -1.587 -7.752 1.00 23.31 H new ATOM 0 HG1 THR A 314 6.925 -2.650 -5.663 1.00 51.33 H new ATOM 0 HG21 THR A 314 8.805 -1.252 -6.134 1.00 41.14 H new ATOM 0 HG22 THR A 314 8.501 0.214 -7.097 1.00 41.14 H new ATOM 0 HG23 THR A 314 7.916 0.115 -5.419 1.00 41.14 H new ATOM 78 N ARG A 315 6.209 0.735 -9.404 1.00 62.21 N ATOM 79 CA ARG A 315 6.737 1.591 -10.460 1.00 34.31 C ATOM 80 C ARG A 315 6.114 2.982 -10.394 1.00 55.01 C ATOM 81 O ARG A 315 6.812 3.976 -10.200 1.00 4.21 O ATOM 82 CB ARG A 315 6.473 0.966 -11.831 1.00 54.33 C ATOM 83 CG ARG A 315 7.283 -0.292 -12.094 1.00 22.43 C ATOM 84 CD ARG A 315 7.670 -0.410 -13.560 1.00 20.54 C ATOM 85 NE ARG A 315 8.275 -1.704 -13.864 1.00 21.45 N ATOM 86 CZ ARG A 315 9.526 -2.023 -13.549 1.00 51.34 C ATOM 87 NH1 ARG A 315 10.300 -1.146 -12.925 1.00 52.21 N ATOM 88 NH2 ARG A 315 10.005 -3.221 -13.859 1.00 53.24 N ATOM 0 H ARG A 315 5.731 -0.102 -9.738 1.00 62.21 H new ATOM 0 HA ARG A 315 7.813 1.687 -10.313 1.00 34.31 H new ATOM 0 HB2 ARG A 315 5.412 0.729 -11.914 1.00 54.33 H new ATOM 0 HB3 ARG A 315 6.697 1.700 -12.605 1.00 54.33 H new ATOM 0 HG2 ARG A 315 8.183 -0.282 -11.479 1.00 22.43 H new ATOM 0 HG3 ARG A 315 6.704 -1.167 -11.798 1.00 22.43 H new ATOM 0 HD2 ARG A 315 6.785 -0.269 -14.181 1.00 20.54 H new ATOM 0 HD3 ARG A 315 8.369 0.386 -13.816 1.00 20.54 H new ATOM 0 HE ARG A 315 7.706 -2.401 -14.344 1.00 21.45 H new ATOM 0 HH11 ARG A 315 9.936 -0.224 -12.686 1.00 52.21 H new ATOM 0 HH12 ARG A 315 11.260 -1.393 -12.684 1.00 52.21 H new ATOM 0 HH21 ARG A 315 9.413 -3.898 -14.340 1.00 53.24 H new ATOM 0 HH22 ARG A 315 10.965 -3.465 -13.617 1.00 53.24 H new ATOM 102 N GLN A 316 4.796 3.043 -10.558 1.00 10.12 N ATOM 103 CA GLN A 316 4.080 4.313 -10.518 1.00 72.42 C ATOM 104 C GLN A 316 4.368 5.060 -9.221 1.00 5.14 C ATOM 105 O GLN A 316 4.477 6.286 -9.210 1.00 72.10 O ATOM 106 CB GLN A 316 2.575 4.078 -10.662 1.00 0.04 C ATOM 107 CG GLN A 316 2.002 3.145 -9.607 1.00 75.15 C ATOM 108 CD GLN A 316 0.505 2.953 -9.750 1.00 74.12 C ATOM 109 OE1 GLN A 316 -0.285 3.798 -9.326 1.00 65.23 O ATOM 110 NE2 GLN A 316 0.105 1.838 -10.350 1.00 70.40 N ATOM 0 H GLN A 316 4.203 2.229 -10.720 1.00 10.12 H new ATOM 0 HA GLN A 316 4.427 4.924 -11.352 1.00 72.42 H new ATOM 0 HB2 GLN A 316 2.059 5.036 -10.607 1.00 0.04 H new ATOM 0 HB3 GLN A 316 2.373 3.664 -11.650 1.00 0.04 H new ATOM 0 HG2 GLN A 316 2.497 2.176 -9.676 1.00 75.15 H new ATOM 0 HG3 GLN A 316 2.220 3.544 -8.617 1.00 75.15 H new ATOM 0 HE21 GLN A 316 0.793 1.165 -10.686 1.00 70.40 H new ATOM 0 HE22 GLN A 316 -0.891 1.655 -10.475 1.00 70.40 H new ATOM 119 N ALA A 317 4.492 4.313 -8.128 1.00 54.41 N ATOM 120 CA ALA A 317 4.769 4.906 -6.825 1.00 63.54 C ATOM 121 C ALA A 317 6.186 5.468 -6.769 1.00 15.12 C ATOM 122 O ALA A 317 6.439 6.469 -6.100 1.00 4.41 O ATOM 123 CB ALA A 317 4.564 3.877 -5.723 1.00 75.24 C ATOM 0 H ALA A 317 4.405 3.297 -8.119 1.00 54.41 H new ATOM 0 HA ALA A 317 4.072 5.730 -6.672 1.00 63.54 H new ATOM 0 HB1 ALA A 317 4.774 4.333 -4.756 1.00 75.24 H new ATOM 0 HB2 ALA A 317 3.533 3.525 -5.742 1.00 75.24 H new ATOM 0 HB3 ALA A 317 5.238 3.035 -5.881 1.00 75.24 H new ATOM 129 N ALA A 318 7.105 4.817 -7.474 1.00 55.13 N ATOM 130 CA ALA A 318 8.495 5.254 -7.505 1.00 71.40 C ATOM 131 C ALA A 318 8.645 6.554 -8.287 1.00 12.32 C ATOM 132 O ALA A 318 9.492 7.387 -7.967 1.00 41.51 O ATOM 133 CB ALA A 318 9.375 4.169 -8.108 1.00 24.15 C ATOM 0 H ALA A 318 6.912 3.985 -8.031 1.00 55.13 H new ATOM 0 HA ALA A 318 8.815 5.439 -6.480 1.00 71.40 H new ATOM 0 HB1 ALA A 318 10.411 4.508 -8.125 1.00 24.15 H new ATOM 0 HB2 ALA A 318 9.300 3.263 -7.506 1.00 24.15 H new ATOM 0 HB3 ALA A 318 9.046 3.957 -9.125 1.00 24.15 H new ATOM 139 N ALA A 319 7.817 6.721 -9.313 1.00 42.12 N ATOM 140 CA ALA A 319 7.857 7.921 -10.140 1.00 3.13 C ATOM 141 C ALA A 319 7.017 9.037 -9.528 1.00 45.20 C ATOM 142 O ALA A 319 7.475 10.173 -9.404 1.00 30.11 O ATOM 143 CB ALA A 319 7.376 7.608 -11.549 1.00 25.32 C ATOM 0 H ALA A 319 7.110 6.040 -9.591 1.00 42.12 H new ATOM 0 HA ALA A 319 8.890 8.264 -10.189 1.00 3.13 H new ATOM 0 HB1 ALA A 319 7.411 8.513 -12.155 1.00 25.32 H new ATOM 0 HB2 ALA A 319 8.020 6.849 -11.993 1.00 25.32 H new ATOM 0 HB3 ALA A 319 6.352 7.237 -11.510 1.00 25.32 H new ATOM 149 N GLN A 320 5.787 8.706 -9.149 1.00 5.04 N ATOM 150 CA GLN A 320 4.884 9.682 -8.551 1.00 51.22 C ATOM 151 C GLN A 320 5.555 10.404 -7.388 1.00 0.44 C ATOM 152 O GLN A 320 5.267 11.571 -7.120 1.00 64.55 O ATOM 153 CB GLN A 320 3.604 8.996 -8.071 1.00 54.52 C ATOM 154 CG GLN A 320 3.758 8.286 -6.736 1.00 72.23 C ATOM 155 CD GLN A 320 3.441 9.184 -5.557 1.00 10.11 C ATOM 156 OE1 GLN A 320 4.337 9.772 -4.951 1.00 25.53 O ATOM 157 NE2 GLN A 320 2.160 9.296 -5.225 1.00 22.12 N ATOM 0 H GLN A 320 5.393 7.770 -9.245 1.00 5.04 H new ATOM 0 HA GLN A 320 4.629 10.419 -9.313 1.00 51.22 H new ATOM 0 HB2 GLN A 320 2.812 9.740 -7.988 1.00 54.52 H new ATOM 0 HB3 GLN A 320 3.285 8.274 -8.822 1.00 54.52 H new ATOM 0 HG2 GLN A 320 3.100 7.417 -6.713 1.00 72.23 H new ATOM 0 HG3 GLN A 320 4.779 7.916 -6.642 1.00 72.23 H new ATOM 0 HE21 GLN A 320 1.450 8.791 -5.755 1.00 22.12 H new ATOM 0 HE22 GLN A 320 1.886 9.887 -4.440 1.00 22.12 H new ATOM 166 N GLU A 321 6.450 9.703 -6.699 1.00 60.20 N ATOM 167 CA GLU A 321 7.161 10.278 -5.563 1.00 54.11 C ATOM 168 C GLU A 321 8.292 11.187 -6.033 1.00 45.31 C ATOM 169 O GLU A 321 8.570 12.217 -5.420 1.00 13.33 O ATOM 170 CB GLU A 321 7.720 9.170 -4.669 1.00 21.33 C ATOM 171 CG GLU A 321 6.714 8.632 -3.665 1.00 23.12 C ATOM 172 CD GLU A 321 7.347 7.705 -2.645 1.00 13.12 C ATOM 173 OE1 GLU A 321 6.622 6.855 -2.087 1.00 33.22 O ATOM 174 OE2 GLU A 321 8.566 7.830 -2.404 1.00 75.12 O ATOM 0 H GLU A 321 6.700 8.736 -6.908 1.00 60.20 H new ATOM 0 HA GLU A 321 6.453 10.875 -4.989 1.00 54.11 H new ATOM 0 HB2 GLU A 321 8.069 8.350 -5.296 1.00 21.33 H new ATOM 0 HB3 GLU A 321 8.588 9.552 -4.132 1.00 21.33 H new ATOM 0 HG2 GLU A 321 6.241 9.467 -3.148 1.00 23.12 H new ATOM 0 HG3 GLU A 321 5.926 8.098 -4.196 1.00 23.12 H new ATOM 181 N GLU A 322 8.942 10.797 -7.125 1.00 44.12 N ATOM 182 CA GLU A 322 10.045 11.576 -7.676 1.00 51.25 C ATOM 183 C GLU A 322 9.536 12.871 -8.304 1.00 71.42 C ATOM 184 O GLU A 322 10.006 13.960 -7.974 1.00 34.42 O ATOM 185 CB GLU A 322 10.807 10.756 -8.719 1.00 72.15 C ATOM 186 CG GLU A 322 11.891 9.872 -8.126 1.00 13.15 C ATOM 187 CD GLU A 322 12.872 9.372 -9.168 1.00 33.31 C ATOM 188 OE1 GLU A 322 13.961 9.970 -9.292 1.00 51.22 O ATOM 189 OE2 GLU A 322 12.551 8.383 -9.859 1.00 73.32 O ATOM 0 H GLU A 322 8.724 9.947 -7.645 1.00 44.12 H new ATOM 0 HA GLU A 322 10.721 11.829 -6.859 1.00 51.25 H new ATOM 0 HB2 GLU A 322 10.100 10.132 -9.265 1.00 72.15 H new ATOM 0 HB3 GLU A 322 11.259 11.434 -9.443 1.00 72.15 H new ATOM 0 HG2 GLU A 322 12.432 10.430 -7.362 1.00 13.15 H new ATOM 0 HG3 GLU A 322 11.428 9.019 -7.630 1.00 13.15 H new ATOM 196 N ARG A 323 8.573 12.743 -9.211 1.00 62.24 N ATOM 197 CA ARG A 323 8.001 13.901 -9.887 1.00 44.21 C ATOM 198 C ARG A 323 7.508 14.932 -8.876 1.00 22.13 C ATOM 199 O ARG A 323 7.935 16.087 -8.892 1.00 2.21 O ATOM 200 CB ARG A 323 6.849 13.471 -10.796 1.00 35.32 C ATOM 201 CG ARG A 323 7.227 12.381 -11.785 1.00 64.23 C ATOM 202 CD ARG A 323 6.342 12.418 -13.021 1.00 51.00 C ATOM 203 NE ARG A 323 7.011 11.855 -14.191 1.00 11.02 N ATOM 204 CZ ARG A 323 6.533 11.948 -15.427 1.00 13.24 C ATOM 205 NH1 ARG A 323 5.389 12.579 -15.653 1.00 12.35 N ATOM 206 NH2 ARG A 323 7.200 11.410 -16.440 1.00 35.03 N ATOM 0 H ARG A 323 8.173 11.849 -9.495 1.00 62.24 H new ATOM 0 HA ARG A 323 8.782 14.358 -10.494 1.00 44.21 H new ATOM 0 HB2 ARG A 323 6.023 13.119 -10.179 1.00 35.32 H new ATOM 0 HB3 ARG A 323 6.488 14.340 -11.346 1.00 35.32 H new ATOM 0 HG2 ARG A 323 8.270 12.501 -12.079 1.00 64.23 H new ATOM 0 HG3 ARG A 323 7.142 11.407 -11.304 1.00 64.23 H new ATOM 0 HD2 ARG A 323 5.424 11.863 -12.826 1.00 51.00 H new ATOM 0 HD3 ARG A 323 6.053 13.448 -13.229 1.00 51.00 H new ATOM 0 HE ARG A 323 7.894 11.363 -14.051 1.00 11.02 H new ATOM 0 HH11 ARG A 323 4.874 12.994 -14.877 1.00 12.35 H new ATOM 0 HH12 ARG A 323 5.024 12.649 -16.603 1.00 12.35 H new ATOM 0 HH21 ARG A 323 8.081 10.924 -16.270 1.00 35.03 H new ATOM 0 HH22 ARG A 323 6.832 11.482 -17.389 1.00 35.03 H new ATOM 220 N LEU A 324 6.607 14.507 -7.997 1.00 61.32 N ATOM 221 CA LEU A 324 6.055 15.392 -6.978 1.00 52.40 C ATOM 222 C LEU A 324 7.167 16.083 -6.196 1.00 25.34 C ATOM 223 O LEU A 324 7.051 17.253 -5.834 1.00 44.20 O ATOM 224 CB LEU A 324 5.157 14.605 -6.022 1.00 54.14 C ATOM 225 CG LEU A 324 3.665 14.597 -6.357 1.00 14.30 C ATOM 226 CD1 LEU A 324 3.442 14.157 -7.796 1.00 4.14 C ATOM 227 CD2 LEU A 324 2.908 13.691 -5.397 1.00 55.11 C ATOM 0 H LEU A 324 6.243 13.554 -7.970 1.00 61.32 H new ATOM 0 HA LEU A 324 5.460 16.155 -7.479 1.00 52.40 H new ATOM 0 HB2 LEU A 324 5.508 13.573 -5.992 1.00 54.14 H new ATOM 0 HB3 LEU A 324 5.282 15.013 -5.019 1.00 54.14 H new ATOM 0 HG LEU A 324 3.282 15.612 -6.246 1.00 14.30 H new ATOM 0 HD11 LEU A 324 2.374 14.158 -8.015 1.00 4.14 H new ATOM 0 HD12 LEU A 324 3.951 14.846 -8.470 1.00 4.14 H new ATOM 0 HD13 LEU A 324 3.840 13.152 -7.935 1.00 4.14 H new ATOM 0 HD21 LEU A 324 1.848 13.697 -5.650 1.00 55.11 H new ATOM 0 HD22 LEU A 324 3.294 12.675 -5.475 1.00 55.11 H new ATOM 0 HD23 LEU A 324 3.040 14.051 -4.377 1.00 55.11 H new ATOM 239 N ALA A 325 8.246 15.350 -5.940 1.00 22.14 N ATOM 240 CA ALA A 325 9.382 15.893 -5.204 1.00 74.21 C ATOM 241 C ALA A 325 9.928 17.144 -5.883 1.00 40.03 C ATOM 242 O ALA A 325 10.263 18.126 -5.220 1.00 65.51 O ATOM 243 CB ALA A 325 10.474 14.843 -5.070 1.00 64.31 C ATOM 0 H ALA A 325 8.357 14.379 -6.231 1.00 22.14 H new ATOM 0 HA ALA A 325 9.039 16.173 -4.208 1.00 74.21 H new ATOM 0 HB1 ALA A 325 11.316 15.262 -4.519 1.00 64.31 H new ATOM 0 HB2 ALA A 325 10.083 13.978 -4.534 1.00 64.31 H new ATOM 0 HB3 ALA A 325 10.807 14.535 -6.061 1.00 64.31 H new ATOM 249 N ASP A 326 10.015 17.102 -7.208 1.00 64.11 N ATOM 250 CA ASP A 326 10.521 18.233 -7.977 1.00 62.13 C ATOM 251 C ASP A 326 9.525 19.388 -7.963 1.00 42.45 C ATOM 252 O ASP A 326 9.907 20.550 -7.811 1.00 61.53 O ATOM 253 CB ASP A 326 10.809 17.809 -9.418 1.00 44.03 C ATOM 254 CG ASP A 326 12.158 17.131 -9.564 1.00 13.23 C ATOM 255 OD1 ASP A 326 13.183 17.844 -9.564 1.00 53.22 O ATOM 256 OD2 ASP A 326 12.188 15.888 -9.678 1.00 31.21 O ATOM 0 H ASP A 326 9.742 16.297 -7.772 1.00 64.11 H new ATOM 0 HA ASP A 326 11.448 18.571 -7.514 1.00 62.13 H new ATOM 0 HB2 ASP A 326 10.026 17.131 -9.757 1.00 44.03 H new ATOM 0 HB3 ASP A 326 10.774 18.685 -10.065 1.00 44.03 H new ATOM 261 N LEU A 327 8.247 19.063 -8.124 1.00 43.02 N ATOM 262 CA LEU A 327 7.196 20.074 -8.131 1.00 75.22 C ATOM 263 C LEU A 327 7.116 20.786 -6.785 1.00 12.22 C ATOM 264 O LEU A 327 6.853 21.987 -6.721 1.00 72.42 O ATOM 265 CB LEU A 327 5.847 19.432 -8.462 1.00 52.55 C ATOM 266 CG LEU A 327 4.793 20.360 -9.068 1.00 10.42 C ATOM 267 CD1 LEU A 327 5.297 20.962 -10.371 1.00 14.15 C ATOM 268 CD2 LEU A 327 3.488 19.610 -9.294 1.00 5.21 C ATOM 0 H LEU A 327 7.914 18.107 -8.251 1.00 43.02 H new ATOM 0 HA LEU A 327 7.439 20.811 -8.897 1.00 75.22 H new ATOM 0 HB2 LEU A 327 6.019 18.609 -9.155 1.00 52.55 H new ATOM 0 HB3 LEU A 327 5.439 18.999 -7.548 1.00 52.55 H new ATOM 0 HG LEU A 327 4.605 21.172 -8.366 1.00 10.42 H new ATOM 0 HD11 LEU A 327 4.534 21.619 -10.787 1.00 14.15 H new ATOM 0 HD12 LEU A 327 6.204 21.535 -10.180 1.00 14.15 H new ATOM 0 HD13 LEU A 327 5.515 20.164 -11.080 1.00 14.15 H new ATOM 0 HD21 LEU A 327 2.750 20.286 -9.726 1.00 5.21 H new ATOM 0 HD22 LEU A 327 3.660 18.777 -9.976 1.00 5.21 H new ATOM 0 HD23 LEU A 327 3.118 19.229 -8.342 1.00 5.21 H new ATOM 280 N ALA A 328 7.347 20.038 -5.711 1.00 13.11 N ATOM 281 CA ALA A 328 7.305 20.599 -4.366 1.00 63.21 C ATOM 282 C ALA A 328 8.186 21.839 -4.261 1.00 43.00 C ATOM 283 O ALA A 328 7.776 22.858 -3.706 1.00 40.30 O ATOM 284 CB ALA A 328 7.736 19.555 -3.346 1.00 15.43 C ATOM 0 H ALA A 328 7.565 19.042 -5.746 1.00 13.11 H new ATOM 0 HA ALA A 328 6.278 20.896 -4.154 1.00 63.21 H new ATOM 0 HB1 ALA A 328 7.700 19.987 -2.346 1.00 15.43 H new ATOM 0 HB2 ALA A 328 7.064 18.699 -3.396 1.00 15.43 H new ATOM 0 HB3 ALA A 328 8.753 19.231 -3.565 1.00 15.43 H new ATOM 290 N SER A 329 9.399 21.745 -4.797 1.00 20.12 N ATOM 291 CA SER A 329 10.340 22.858 -4.759 1.00 51.31 C ATOM 292 C SER A 329 9.995 23.897 -5.822 1.00 43.01 C ATOM 293 O SER A 329 10.145 25.099 -5.603 1.00 12.25 O ATOM 294 CB SER A 329 11.769 22.353 -4.968 1.00 11.35 C ATOM 295 OG SER A 329 12.474 22.297 -3.740 1.00 21.13 O ATOM 0 H SER A 329 9.753 20.909 -5.263 1.00 20.12 H new ATOM 0 HA SER A 329 10.269 23.329 -3.778 1.00 51.31 H new ATOM 0 HB2 SER A 329 11.745 21.363 -5.423 1.00 11.35 H new ATOM 0 HB3 SER A 329 12.293 23.010 -5.662 1.00 11.35 H new ATOM 0 HG SER A 329 13.384 21.970 -3.900 1.00 21.13 H new ATOM 301 N ASP A 330 9.534 23.424 -6.974 1.00 54.03 N ATOM 302 CA ASP A 330 9.166 24.311 -8.072 1.00 62.55 C ATOM 303 C ASP A 330 8.195 25.388 -7.599 1.00 64.05 C ATOM 304 O ASP A 330 8.452 26.582 -7.757 1.00 1.44 O ATOM 305 CB ASP A 330 8.541 23.509 -9.216 1.00 0.45 C ATOM 306 CG ASP A 330 8.463 24.304 -10.504 1.00 53.03 C ATOM 307 OD1 ASP A 330 7.460 25.022 -10.698 1.00 74.21 O ATOM 308 OD2 ASP A 330 9.404 24.207 -11.319 1.00 41.45 O ATOM 0 H ASP A 330 9.406 22.432 -7.172 1.00 54.03 H new ATOM 0 HA ASP A 330 10.072 24.798 -8.433 1.00 62.55 H new ATOM 0 HB2 ASP A 330 9.127 22.605 -9.385 1.00 0.45 H new ATOM 0 HB3 ASP A 330 7.539 23.190 -8.928 1.00 0.45 H new ATOM 313 N LEU A 331 7.079 24.959 -7.021 1.00 23.41 N ATOM 314 CA LEU A 331 6.068 25.887 -6.526 1.00 25.55 C ATOM 315 C LEU A 331 6.620 26.733 -5.382 1.00 75.42 C ATOM 316 O LEU A 331 6.393 27.942 -5.325 1.00 73.02 O ATOM 317 CB LEU A 331 4.830 25.120 -6.057 1.00 42.22 C ATOM 318 CG LEU A 331 5.064 24.061 -4.979 1.00 41.15 C ATOM 319 CD1 LEU A 331 4.806 24.640 -3.597 1.00 42.21 C ATOM 320 CD2 LEU A 331 4.180 22.847 -5.224 1.00 64.34 C ATOM 0 H LEU A 331 6.851 23.974 -6.883 1.00 23.41 H new ATOM 0 HA LEU A 331 5.788 26.552 -7.343 1.00 25.55 H new ATOM 0 HB2 LEU A 331 4.103 25.839 -5.679 1.00 42.22 H new ATOM 0 HB3 LEU A 331 4.378 24.635 -6.922 1.00 42.22 H new ATOM 0 HG LEU A 331 6.106 23.743 -5.029 1.00 41.15 H new ATOM 0 HD11 LEU A 331 4.978 23.872 -2.843 1.00 42.21 H new ATOM 0 HD12 LEU A 331 5.481 25.478 -3.422 1.00 42.21 H new ATOM 0 HD13 LEU A 331 3.774 24.986 -3.534 1.00 42.21 H new ATOM 0 HD21 LEU A 331 4.360 22.103 -4.447 1.00 64.34 H new ATOM 0 HD22 LEU A 331 3.133 23.149 -5.202 1.00 64.34 H new ATOM 0 HD23 LEU A 331 4.413 22.418 -6.198 1.00 64.34 H new ATOM 332 N LEU A 332 7.346 26.090 -4.474 1.00 71.25 N ATOM 333 CA LEU A 332 7.932 26.783 -3.333 1.00 2.51 C ATOM 334 C LEU A 332 8.773 27.971 -3.790 1.00 52.24 C ATOM 335 O LEU A 332 8.796 29.017 -3.139 1.00 71.34 O ATOM 336 CB LEU A 332 8.793 25.821 -2.513 1.00 71.41 C ATOM 337 CG LEU A 332 8.902 26.124 -1.018 1.00 53.14 C ATOM 338 CD1 LEU A 332 7.555 25.937 -0.336 1.00 65.33 C ATOM 339 CD2 LEU A 332 9.958 25.241 -0.370 1.00 74.53 C ATOM 0 H LEU A 332 7.543 25.090 -4.506 1.00 71.25 H new ATOM 0 HA LEU A 332 7.119 27.155 -2.710 1.00 2.51 H new ATOM 0 HB2 LEU A 332 8.391 24.815 -2.631 1.00 71.41 H new ATOM 0 HB3 LEU A 332 9.798 25.814 -2.936 1.00 71.41 H new ATOM 0 HG LEU A 332 9.205 27.164 -0.899 1.00 53.14 H new ATOM 0 HD11 LEU A 332 7.652 26.157 0.727 1.00 65.33 H new ATOM 0 HD12 LEU A 332 6.825 26.613 -0.781 1.00 65.33 H new ATOM 0 HD13 LEU A 332 7.222 24.907 -0.465 1.00 65.33 H new ATOM 0 HD21 LEU A 332 10.022 25.471 0.694 1.00 74.53 H new ATOM 0 HD22 LEU A 332 9.686 24.194 -0.499 1.00 74.53 H new ATOM 0 HD23 LEU A 332 10.924 25.425 -0.839 1.00 74.53 H new ATOM 351 N LEU A 333 9.460 27.804 -4.915 1.00 4.44 N ATOM 352 CA LEU A 333 10.301 28.864 -5.462 1.00 22.25 C ATOM 353 C LEU A 333 9.452 30.025 -5.970 1.00 25.21 C ATOM 354 O LEU A 333 9.823 31.189 -5.819 1.00 34.43 O ATOM 355 CB LEU A 333 11.171 28.318 -6.596 1.00 34.35 C ATOM 356 CG LEU A 333 12.499 27.686 -6.178 1.00 42.32 C ATOM 357 CD1 LEU A 333 13.034 26.789 -7.283 1.00 42.05 C ATOM 358 CD2 LEU A 333 13.514 28.764 -5.825 1.00 62.32 C ATOM 0 H LEU A 333 9.451 26.946 -5.466 1.00 4.44 H new ATOM 0 HA LEU A 333 10.945 29.232 -4.663 1.00 22.25 H new ATOM 0 HB2 LEU A 333 10.594 27.573 -7.144 1.00 34.35 H new ATOM 0 HB3 LEU A 333 11.381 29.132 -7.290 1.00 34.35 H new ATOM 0 HG LEU A 333 12.326 27.074 -5.293 1.00 42.32 H new ATOM 0 HD11 LEU A 333 13.980 26.348 -6.968 1.00 42.05 H new ATOM 0 HD12 LEU A 333 12.315 25.996 -7.489 1.00 42.05 H new ATOM 0 HD13 LEU A 333 13.192 27.379 -8.186 1.00 42.05 H new ATOM 0 HD21 LEU A 333 14.453 28.297 -5.530 1.00 62.32 H new ATOM 0 HD22 LEU A 333 13.683 29.402 -6.692 1.00 62.32 H new ATOM 0 HD23 LEU A 333 13.133 29.366 -5.000 1.00 62.32 H new ATOM 370 N GLN A 334 8.313 29.699 -6.571 1.00 14.01 N ATOM 371 CA GLN A 334 7.411 30.716 -7.100 1.00 31.51 C ATOM 372 C GLN A 334 6.878 31.605 -5.982 1.00 10.41 C ATOM 373 O GLN A 334 6.689 32.808 -6.168 1.00 62.25 O ATOM 374 CB GLN A 334 6.247 30.058 -7.843 1.00 71.11 C ATOM 375 CG GLN A 334 5.505 31.005 -8.772 1.00 43.41 C ATOM 376 CD GLN A 334 6.258 31.266 -10.062 1.00 10.21 C ATOM 377 OE1 GLN A 334 6.680 32.391 -10.331 1.00 40.23 O ATOM 378 NE2 GLN A 334 6.431 30.225 -10.868 1.00 13.12 N ATOM 0 H GLN A 334 7.992 28.740 -6.704 1.00 14.01 H new ATOM 0 HA GLN A 334 7.973 31.338 -7.797 1.00 31.51 H new ATOM 0 HB2 GLN A 334 6.626 29.217 -8.423 1.00 71.11 H new ATOM 0 HB3 GLN A 334 5.545 29.652 -7.115 1.00 71.11 H new ATOM 0 HG2 GLN A 334 4.526 30.586 -9.005 1.00 43.41 H new ATOM 0 HG3 GLN A 334 5.333 31.951 -8.259 1.00 43.41 H new ATOM 0 HE21 GLN A 334 6.064 29.310 -10.605 1.00 13.12 H new ATOM 0 HE22 GLN A 334 6.931 30.340 -11.750 1.00 13.12 H new ATOM 387 N TYR A 335 6.637 31.007 -4.821 1.00 11.34 N ATOM 388 CA TYR A 335 6.123 31.745 -3.673 1.00 12.30 C ATOM 389 C TYR A 335 6.993 32.962 -3.373 1.00 50.14 C ATOM 390 O TYR A 335 6.493 34.016 -2.977 1.00 31.30 O ATOM 391 CB TYR A 335 6.056 30.837 -2.444 1.00 64.11 C ATOM 392 CG TYR A 335 5.229 31.406 -1.314 1.00 54.42 C ATOM 393 CD1 TYR A 335 5.764 32.341 -0.437 1.00 23.35 C ATOM 394 CD2 TYR A 335 3.910 31.011 -1.125 1.00 61.41 C ATOM 395 CE1 TYR A 335 5.012 32.863 0.598 1.00 73.24 C ATOM 396 CE2 TYR A 335 3.150 31.529 -0.095 1.00 34.44 C ATOM 397 CZ TYR A 335 3.705 32.454 0.764 1.00 20.13 C ATOM 398 OH TYR A 335 2.952 32.973 1.792 1.00 33.23 O ATOM 0 H TYR A 335 6.789 30.013 -4.650 1.00 11.34 H new ATOM 0 HA TYR A 335 5.118 32.090 -3.916 1.00 12.30 H new ATOM 0 HB2 TYR A 335 5.640 29.873 -2.737 1.00 64.11 H new ATOM 0 HB3 TYR A 335 7.068 30.651 -2.084 1.00 64.11 H new ATOM 0 HD1 TYR A 335 6.786 32.666 -0.566 1.00 23.35 H new ATOM 0 HD2 TYR A 335 3.472 30.286 -1.795 1.00 61.41 H new ATOM 0 HE1 TYR A 335 5.445 33.587 1.273 1.00 73.24 H new ATOM 0 HE2 TYR A 335 2.126 31.211 0.037 1.00 34.44 H new ATOM 0 HH TYR A 335 2.054 32.582 1.769 1.00 33.23 H new ATOM 408 N LEU A 336 8.298 32.809 -3.566 1.00 44.34 N ATOM 409 CA LEU A 336 9.241 33.895 -3.318 1.00 73.02 C ATOM 410 C LEU A 336 9.138 34.964 -4.402 1.00 33.24 C ATOM 411 O LEU A 336 8.833 36.123 -4.118 1.00 53.02 O ATOM 412 CB LEU A 336 10.669 33.352 -3.255 1.00 45.25 C ATOM 413 CG LEU A 336 11.093 32.730 -1.925 1.00 22.14 C ATOM 414 CD1 LEU A 336 10.981 33.747 -0.800 1.00 15.22 C ATOM 415 CD2 LEU A 336 10.252 31.499 -1.619 1.00 51.24 C ATOM 0 H LEU A 336 8.728 31.944 -3.893 1.00 44.34 H new ATOM 0 HA LEU A 336 8.989 34.350 -2.360 1.00 73.02 H new ATOM 0 HB2 LEU A 336 10.786 32.602 -4.037 1.00 45.25 H new ATOM 0 HB3 LEU A 336 11.356 34.165 -3.488 1.00 45.25 H new ATOM 0 HG LEU A 336 12.135 32.422 -2.006 1.00 22.14 H new ATOM 0 HD11 LEU A 336 11.287 33.286 0.139 1.00 15.22 H new ATOM 0 HD12 LEU A 336 11.627 34.599 -1.014 1.00 15.22 H new ATOM 0 HD13 LEU A 336 9.948 34.087 -0.718 1.00 15.22 H new ATOM 0 HD21 LEU A 336 10.568 31.070 -0.668 1.00 51.24 H new ATOM 0 HD22 LEU A 336 9.201 31.782 -1.558 1.00 51.24 H new ATOM 0 HD23 LEU A 336 10.383 30.762 -2.412 1.00 51.24 H new ATOM 427 N LEU A 337 9.392 34.566 -5.643 1.00 51.34 N ATOM 428 CA LEU A 337 9.326 35.490 -6.771 1.00 34.51 C ATOM 429 C LEU A 337 7.993 36.231 -6.790 1.00 74.22 C ATOM 430 O LEU A 337 7.956 37.461 -6.765 1.00 33.45 O ATOM 431 CB LEU A 337 9.521 34.734 -8.086 1.00 71.35 C ATOM 432 CG LEU A 337 9.556 35.589 -9.353 1.00 44.42 C ATOM 433 CD1 LEU A 337 10.552 35.022 -10.353 1.00 72.21 C ATOM 434 CD2 LEU A 337 8.170 35.683 -9.973 1.00 33.32 C ATOM 0 H LEU A 337 9.645 33.611 -5.895 1.00 51.34 H new ATOM 0 HA LEU A 337 10.126 36.222 -6.657 1.00 34.51 H new ATOM 0 HB2 LEU A 337 10.454 34.173 -8.024 1.00 71.35 H new ATOM 0 HB3 LEU A 337 8.717 34.005 -8.186 1.00 71.35 H new ATOM 0 HG LEU A 337 9.878 36.594 -9.080 1.00 44.42 H new ATOM 0 HD11 LEU A 337 10.563 35.644 -11.248 1.00 72.21 H new ATOM 0 HD12 LEU A 337 11.547 35.009 -9.908 1.00 72.21 H new ATOM 0 HD13 LEU A 337 10.261 34.006 -10.620 1.00 72.21 H new ATOM 0 HD21 LEU A 337 8.215 36.295 -10.874 1.00 33.32 H new ATOM 0 HD22 LEU A 337 7.818 34.684 -10.231 1.00 33.32 H new ATOM 0 HD23 LEU A 337 7.482 36.137 -9.260 1.00 33.32 H new ATOM 446 N GLN A 338 6.901 35.474 -6.833 1.00 60.23 N ATOM 447 CA GLN A 338 5.566 36.060 -6.854 1.00 70.32 C ATOM 448 C GLN A 338 5.388 37.050 -5.708 1.00 30.54 C ATOM 449 O GLN A 338 4.747 38.088 -5.864 1.00 74.43 O ATOM 450 CB GLN A 338 4.503 34.963 -6.767 1.00 2.05 C ATOM 451 CG GLN A 338 3.150 35.381 -7.319 1.00 43.32 C ATOM 452 CD GLN A 338 2.160 34.235 -7.367 1.00 34.21 C ATOM 453 OE1 GLN A 338 1.084 34.303 -6.771 1.00 40.44 O ATOM 454 NE2 GLN A 338 2.518 33.172 -8.078 1.00 55.00 N ATOM 0 H GLN A 338 6.915 34.454 -6.854 1.00 60.23 H new ATOM 0 HA GLN A 338 5.447 36.597 -7.795 1.00 70.32 H new ATOM 0 HB2 GLN A 338 4.853 34.086 -7.311 1.00 2.05 H new ATOM 0 HB3 GLN A 338 4.385 34.665 -5.725 1.00 2.05 H new ATOM 0 HG2 GLN A 338 2.742 36.183 -6.703 1.00 43.32 H new ATOM 0 HG3 GLN A 338 3.281 35.785 -8.323 1.00 43.32 H new ATOM 0 HE21 GLN A 338 3.419 33.158 -8.556 1.00 55.00 H new ATOM 0 HE22 GLN A 338 1.892 32.370 -8.146 1.00 55.00 H new ATOM 463 N GLY A 339 5.960 36.720 -4.553 1.00 44.25 N ATOM 464 CA GLY A 339 5.853 37.590 -3.397 1.00 52.41 C ATOM 465 C GLY A 339 6.352 38.994 -3.679 1.00 75.32 C ATOM 466 O GLY A 339 5.741 39.974 -3.255 1.00 41.00 O ATOM 0 H GLY A 339 6.495 35.866 -4.398 1.00 44.25 H new ATOM 0 HA2 GLY A 339 4.812 37.635 -3.075 1.00 52.41 H new ATOM 0 HA3 GLY A 339 6.423 37.164 -2.572 1.00 52.41 H new ATOM 470 N GLY A 340 7.467 39.091 -4.397 1.00 32.12 N ATOM 471 CA GLY A 340 8.030 40.389 -4.721 1.00 35.31 C ATOM 472 C GLY A 340 7.455 40.967 -5.999 1.00 0.02 C ATOM 473 O GLY A 340 7.304 42.182 -6.125 1.00 71.33 O ATOM 0 H GLY A 340 7.990 38.294 -4.760 1.00 32.12 H new ATOM 0 HA2 GLY A 340 7.843 41.078 -3.898 1.00 35.31 H new ATOM 0 HA3 GLY A 340 9.112 40.298 -4.821 1.00 35.31 H new ATOM 477 N ALA A 341 7.136 40.095 -6.950 1.00 15.23 N ATOM 478 CA ALA A 341 6.574 40.526 -8.224 1.00 43.30 C ATOM 479 C ALA A 341 5.284 41.313 -8.018 1.00 4.02 C ATOM 480 O ALA A 341 5.003 42.263 -8.748 1.00 15.53 O ATOM 481 CB ALA A 341 6.324 39.325 -9.124 1.00 1.12 C ATOM 0 H ALA A 341 7.257 39.086 -6.862 1.00 15.23 H new ATOM 0 HA ALA A 341 7.296 41.184 -8.707 1.00 43.30 H new ATOM 0 HB1 ALA A 341 5.904 39.662 -10.072 1.00 1.12 H new ATOM 0 HB2 ALA A 341 7.265 38.806 -9.308 1.00 1.12 H new ATOM 0 HB3 ALA A 341 5.624 38.646 -8.638 1.00 1.12 H new ATOM 487 N ARG A 342 4.504 40.910 -7.020 1.00 4.51 N ATOM 488 CA ARG A 342 3.243 41.577 -6.719 1.00 41.15 C ATOM 489 C ARG A 342 3.486 42.901 -6.001 1.00 53.42 C ATOM 490 O ARG A 342 2.926 43.932 -6.375 1.00 24.11 O ATOM 491 CB ARG A 342 2.356 40.674 -5.861 1.00 23.25 C ATOM 492 CG ARG A 342 1.789 39.482 -6.615 1.00 11.34 C ATOM 493 CD ARG A 342 0.818 38.689 -5.754 1.00 2.02 C ATOM 494 NE ARG A 342 -0.358 39.474 -5.389 1.00 41.44 N ATOM 495 CZ ARG A 342 -1.334 39.019 -4.612 1.00 22.31 C ATOM 496 NH1 ARG A 342 -1.274 37.789 -4.119 1.00 51.22 N ATOM 497 NH2 ARG A 342 -2.372 39.794 -4.325 1.00 70.32 N ATOM 0 H ARG A 342 4.723 40.125 -6.406 1.00 4.51 H new ATOM 0 HA ARG A 342 2.736 41.783 -7.662 1.00 41.15 H new ATOM 0 HB2 ARG A 342 2.934 40.313 -5.010 1.00 23.25 H new ATOM 0 HB3 ARG A 342 1.532 41.264 -5.459 1.00 23.25 H new ATOM 0 HG2 ARG A 342 1.280 39.828 -7.515 1.00 11.34 H new ATOM 0 HG3 ARG A 342 2.603 38.834 -6.938 1.00 11.34 H new ATOM 0 HD2 ARG A 342 0.504 37.795 -6.292 1.00 2.02 H new ATOM 0 HD3 ARG A 342 1.326 38.355 -4.849 1.00 2.02 H new ATOM 0 HE ARG A 342 -0.434 40.425 -5.751 1.00 41.44 H new ATOM 0 HH11 ARG A 342 -0.477 37.191 -4.337 1.00 51.22 H new ATOM 0 HH12 ARG A 342 -2.025 37.442 -3.522 1.00 51.22 H new ATOM 0 HH21 ARG A 342 -2.421 40.741 -4.701 1.00 70.32 H new ATOM 0 HH22 ARG A 342 -3.121 39.443 -3.728 1.00 70.32 H new ATOM 511 N GLN A 343 4.322 42.864 -4.969 1.00 42.21 N ATOM 512 CA GLN A 343 4.637 44.061 -4.198 1.00 42.23 C ATOM 513 C GLN A 343 5.299 45.117 -5.078 1.00 22.40 C ATOM 514 O GLN A 343 4.780 46.221 -5.236 1.00 54.45 O ATOM 515 CB GLN A 343 5.553 43.711 -3.024 1.00 42.13 C ATOM 516 CG GLN A 343 4.807 43.209 -1.799 1.00 12.32 C ATOM 517 CD GLN A 343 4.144 44.329 -1.020 1.00 60.43 C ATOM 518 OE1 GLN A 343 4.338 45.507 -1.319 1.00 13.41 O ATOM 519 NE2 GLN A 343 3.356 43.965 -0.015 1.00 41.11 N ATOM 0 H GLN A 343 4.793 42.019 -4.647 1.00 42.21 H new ATOM 0 HA GLN A 343 3.703 44.470 -3.812 1.00 42.23 H new ATOM 0 HB2 GLN A 343 6.264 42.949 -3.343 1.00 42.13 H new ATOM 0 HB3 GLN A 343 6.132 44.593 -2.750 1.00 42.13 H new ATOM 0 HG2 GLN A 343 4.049 42.489 -2.109 1.00 12.32 H new ATOM 0 HG3 GLN A 343 5.502 42.680 -1.147 1.00 12.32 H new ATOM 0 HE21 GLN A 343 3.224 42.976 0.197 1.00 41.11 H new ATOM 0 HE22 GLN A 343 2.883 44.674 0.545 1.00 41.11 H new ATOM 528 N ARG A 344 6.449 44.769 -5.647 1.00 74.14 N ATOM 529 CA ARG A 344 7.182 45.687 -6.510 1.00 4.11 C ATOM 530 C ARG A 344 6.332 46.107 -7.705 1.00 40.23 C ATOM 531 O ARG A 344 6.405 47.247 -8.162 1.00 12.22 O ATOM 532 CB ARG A 344 8.479 45.037 -6.996 1.00 42.51 C ATOM 533 CG ARG A 344 9.627 45.153 -6.006 1.00 34.41 C ATOM 534 CD ARG A 344 10.278 46.525 -6.066 1.00 3.35 C ATOM 535 NE ARG A 344 9.683 47.456 -5.111 1.00 34.14 N ATOM 536 CZ ARG A 344 10.229 48.621 -4.782 1.00 14.32 C ATOM 537 NH1 ARG A 344 11.377 48.997 -5.329 1.00 15.14 N ATOM 538 NH2 ARG A 344 9.626 49.414 -3.905 1.00 31.13 N ATOM 0 H ARG A 344 6.893 43.859 -5.526 1.00 74.14 H new ATOM 0 HA ARG A 344 7.424 46.577 -5.929 1.00 4.11 H new ATOM 0 HB2 ARG A 344 8.292 43.983 -7.201 1.00 42.51 H new ATOM 0 HB3 ARG A 344 8.775 45.498 -7.938 1.00 42.51 H new ATOM 0 HG2 ARG A 344 9.259 44.968 -4.997 1.00 34.41 H new ATOM 0 HG3 ARG A 344 10.372 44.386 -6.219 1.00 34.41 H new ATOM 0 HD2 ARG A 344 11.345 46.429 -5.862 1.00 3.35 H new ATOM 0 HD3 ARG A 344 10.181 46.928 -7.074 1.00 3.35 H new ATOM 0 HE ARG A 344 8.799 47.197 -4.672 1.00 34.14 H new ATOM 0 HH11 ARG A 344 11.843 48.391 -6.004 1.00 15.14 H new ATOM 0 HH12 ARG A 344 11.794 49.892 -5.075 1.00 15.14 H new ATOM 0 HH21 ARG A 344 8.742 49.129 -3.483 1.00 31.13 H new ATOM 0 HH22 ARG A 344 10.046 50.309 -3.653 1.00 31.13 H new ATOM 552 N GLY A 345 5.526 45.177 -8.208 1.00 30.31 N ATOM 553 CA GLY A 345 4.674 45.469 -9.346 1.00 1.42 C ATOM 554 C GLY A 345 3.827 46.708 -9.132 1.00 72.03 C ATOM 555 O GLY A 345 3.558 47.455 -10.074 1.00 1.52 O ATOM 0 H GLY A 345 5.448 44.226 -7.847 1.00 30.31 H new ATOM 0 HA2 GLY A 345 5.292 45.604 -10.234 1.00 1.42 H new ATOM 0 HA3 GLY A 345 4.023 44.616 -9.537 1.00 1.42 H new ATOM 559 N LEU A 346 3.403 46.926 -7.892 1.00 52.24 N ATOM 560 CA LEU A 346 2.579 48.083 -7.558 1.00 32.40 C ATOM 561 C LEU A 346 3.246 48.933 -6.482 1.00 14.42 C ATOM 562 O LEU A 346 4.369 48.656 -6.064 1.00 61.03 O ATOM 563 CB LEU A 346 1.198 47.629 -7.082 1.00 75.05 C ATOM 564 CG LEU A 346 0.343 46.888 -8.112 1.00 1.42 C ATOM 565 CD1 LEU A 346 -0.906 46.318 -7.458 1.00 25.44 C ATOM 566 CD2 LEU A 346 -0.030 47.814 -9.260 1.00 52.34 C ATOM 0 H LEU A 346 3.616 46.317 -7.102 1.00 52.24 H new ATOM 0 HA LEU A 346 2.466 48.690 -8.456 1.00 32.40 H new ATOM 0 HB2 LEU A 346 1.329 46.982 -6.215 1.00 75.05 H new ATOM 0 HB3 LEU A 346 0.646 48.506 -6.744 1.00 75.05 H new ATOM 0 HG LEU A 346 0.928 46.061 -8.514 1.00 1.42 H new ATOM 0 HD11 LEU A 346 -1.502 45.795 -8.206 1.00 25.44 H new ATOM 0 HD12 LEU A 346 -0.619 45.621 -6.670 1.00 25.44 H new ATOM 0 HD13 LEU A 346 -1.494 47.129 -7.028 1.00 25.44 H new ATOM 0 HD21 LEU A 346 -0.638 47.270 -9.983 1.00 52.34 H new ATOM 0 HD22 LEU A 346 -0.596 48.662 -8.874 1.00 52.34 H new ATOM 0 HD23 LEU A 346 0.877 48.174 -9.746 1.00 52.34 H new