USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 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 309 SER OG : rot -35:sc= 0.34 USER MOD Single : A 310 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD Single : A 314 THR OG1 : rot 74:sc= 1.06 USER MOD Single : A 316 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.029) USER MOD Single : A 320 GLN : amide:sc= -1.89 K(o=-1.9,f=-10!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.015) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.0859 X(o=-0.086,f=0) USER MOD Single : A 343 GLN : amide:sc= -0.0641 K(o=-0.064,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 309 6.284 -9.990 -8.105 1.00 35.53 N ATOM 2 CA SER A 309 7.228 -8.909 -7.850 1.00 62.12 C ATOM 3 C SER A 309 6.597 -7.554 -8.154 1.00 40.30 C ATOM 4 O SER A 309 6.694 -6.620 -7.358 1.00 34.53 O ATOM 5 CB SER A 309 8.490 -9.097 -8.694 1.00 25.21 C ATOM 6 OG SER A 309 8.168 -9.521 -10.007 1.00 52.42 O ATOM 0 HA SER A 309 7.498 -8.936 -6.794 1.00 62.12 H new ATOM 0 HB2 SER A 309 9.045 -8.160 -8.737 1.00 25.21 H new ATOM 0 HB3 SER A 309 9.141 -9.832 -8.221 1.00 25.21 H new ATOM 0 HG SER A 309 7.385 -10.110 -9.978 1.00 52.42 H new ATOM 12 N GLN A 310 5.951 -7.455 -9.312 1.00 4.14 N ATOM 13 CA GLN A 310 5.305 -6.214 -9.721 1.00 51.15 C ATOM 14 C GLN A 310 6.300 -5.058 -9.729 1.00 61.32 C ATOM 15 O GLN A 310 6.028 -3.988 -9.186 1.00 32.20 O ATOM 16 CB GLN A 310 4.137 -5.890 -8.788 1.00 72.34 C ATOM 17 CG GLN A 310 3.219 -7.074 -8.530 1.00 32.03 C ATOM 18 CD GLN A 310 2.672 -7.678 -9.808 1.00 34.53 C ATOM 19 OE1 GLN A 310 1.827 -7.083 -10.478 1.00 21.33 O ATOM 20 NE2 GLN A 310 3.151 -8.868 -10.153 1.00 42.42 N ATOM 0 H GLN A 310 5.861 -8.219 -9.982 1.00 4.14 H new ATOM 0 HA GLN A 310 4.925 -6.349 -10.734 1.00 51.15 H new ATOM 0 HB2 GLN A 310 4.531 -5.532 -7.837 1.00 72.34 H new ATOM 0 HB3 GLN A 310 3.554 -5.076 -9.218 1.00 72.34 H new ATOM 0 HG2 GLN A 310 3.765 -7.838 -7.976 1.00 32.03 H new ATOM 0 HG3 GLN A 310 2.389 -6.755 -7.899 1.00 32.03 H new ATOM 0 HE21 GLN A 310 3.851 -9.325 -9.568 1.00 42.42 H new ATOM 0 HE22 GLN A 310 2.819 -9.324 -11.003 1.00 42.42 H new ATOM 29 N ALA A 311 7.455 -5.282 -10.348 1.00 74.34 N ATOM 30 CA ALA A 311 8.490 -4.259 -10.428 1.00 73.21 C ATOM 31 C ALA A 311 7.987 -3.027 -11.172 1.00 44.24 C ATOM 32 O ALA A 311 8.327 -1.898 -10.821 1.00 45.43 O ATOM 33 CB ALA A 311 9.732 -4.817 -11.106 1.00 24.42 C ATOM 0 H ALA A 311 7.697 -6.163 -10.801 1.00 74.34 H new ATOM 0 HA ALA A 311 8.748 -3.958 -9.413 1.00 73.21 H new ATOM 0 HB1 ALA A 311 10.497 -4.042 -11.159 1.00 24.42 H new ATOM 0 HB2 ALA A 311 10.111 -5.662 -10.532 1.00 24.42 H new ATOM 0 HB3 ALA A 311 9.479 -5.147 -12.114 1.00 24.42 H new ATOM 39 N GLU A 312 7.177 -3.252 -12.202 1.00 21.20 N ATOM 40 CA GLU A 312 6.630 -2.159 -12.996 1.00 52.42 C ATOM 41 C GLU A 312 5.906 -1.151 -12.108 1.00 52.43 C ATOM 42 O GLU A 312 6.282 0.019 -12.045 1.00 51.41 O ATOM 43 CB GLU A 312 5.671 -2.700 -14.058 1.00 71.44 C ATOM 44 CG GLU A 312 6.269 -3.806 -14.912 1.00 5.13 C ATOM 45 CD GLU A 312 5.509 -4.021 -16.206 1.00 35.04 C ATOM 46 OE1 GLU A 312 5.884 -4.933 -16.971 1.00 20.53 O ATOM 47 OE2 GLU A 312 4.537 -3.276 -16.452 1.00 72.24 O ATOM 0 H GLU A 312 6.886 -4.181 -12.506 1.00 21.20 H new ATOM 0 HA GLU A 312 7.459 -1.653 -13.490 1.00 52.42 H new ATOM 0 HB2 GLU A 312 4.774 -3.077 -13.567 1.00 71.44 H new ATOM 0 HB3 GLU A 312 5.360 -1.880 -14.706 1.00 71.44 H new ATOM 0 HG2 GLU A 312 7.306 -3.562 -15.141 1.00 5.13 H new ATOM 0 HG3 GLU A 312 6.278 -4.735 -14.342 1.00 5.13 H new ATOM 54 N ALA A 313 4.865 -1.614 -11.425 1.00 14.15 N ATOM 55 CA ALA A 313 4.088 -0.754 -10.539 1.00 64.53 C ATOM 56 C ALA A 313 4.977 -0.115 -9.477 1.00 74.23 C ATOM 57 O ALA A 313 4.766 1.033 -9.085 1.00 41.25 O ATOM 58 CB ALA A 313 2.967 -1.547 -9.885 1.00 15.23 C ATOM 0 H ALA A 313 4.539 -2.580 -11.468 1.00 14.15 H new ATOM 0 HA ALA A 313 3.651 0.045 -11.138 1.00 64.53 H new ATOM 0 HB1 ALA A 313 2.395 -0.893 -9.226 1.00 15.23 H new ATOM 0 HB2 ALA A 313 2.310 -1.951 -10.655 1.00 15.23 H new ATOM 0 HB3 ALA A 313 3.391 -2.366 -9.304 1.00 15.23 H new ATOM 64 N THR A 314 5.971 -0.866 -9.013 1.00 72.05 N ATOM 65 CA THR A 314 6.890 -0.373 -7.995 1.00 71.43 C ATOM 66 C THR A 314 7.630 0.869 -8.477 1.00 53.23 C ATOM 67 O THR A 314 7.905 1.781 -7.697 1.00 61.22 O ATOM 68 CB THR A 314 7.919 -1.449 -7.600 1.00 3.10 C ATOM 69 OG1 THR A 314 7.248 -2.600 -7.075 1.00 3.20 O ATOM 70 CG2 THR A 314 8.896 -0.909 -6.566 1.00 33.22 C ATOM 0 H THR A 314 6.160 -1.818 -9.326 1.00 72.05 H new ATOM 0 HA THR A 314 6.288 -0.118 -7.123 1.00 71.43 H new ATOM 0 HB THR A 314 8.478 -1.731 -8.492 1.00 3.10 H new ATOM 0 HG1 THR A 314 6.817 -3.090 -7.807 1.00 3.20 H new ATOM 0 HG21 THR A 314 9.613 -1.686 -6.302 1.00 33.22 H new ATOM 0 HG22 THR A 314 9.426 -0.051 -6.980 1.00 33.22 H new ATOM 0 HG23 THR A 314 8.349 -0.602 -5.674 1.00 33.22 H new ATOM 78 N ARG A 315 7.948 0.899 -9.767 1.00 44.32 N ATOM 79 CA ARG A 315 8.657 2.031 -10.353 1.00 21.21 C ATOM 80 C ARG A 315 7.798 3.291 -10.312 1.00 74.11 C ATOM 81 O ARG A 315 8.170 4.287 -9.694 1.00 3.52 O ATOM 82 CB ARG A 315 9.055 1.719 -11.797 1.00 22.44 C ATOM 83 CG ARG A 315 10.195 0.720 -11.912 1.00 30.44 C ATOM 84 CD ARG A 315 11.549 1.405 -11.812 1.00 13.11 C ATOM 85 NE ARG A 315 12.014 1.499 -10.431 1.00 22.02 N ATOM 86 CZ ARG A 315 12.599 0.498 -9.783 1.00 22.23 C ATOM 87 NH1 ARG A 315 12.790 -0.666 -10.388 1.00 34.53 N ATOM 88 NH2 ARG A 315 12.995 0.660 -8.527 1.00 5.41 N ATOM 0 H ARG A 315 7.726 0.153 -10.426 1.00 44.32 H new ATOM 0 HA ARG A 315 9.558 2.207 -9.765 1.00 21.21 H new ATOM 0 HB2 ARG A 315 8.187 1.329 -12.328 1.00 22.44 H new ATOM 0 HB3 ARG A 315 9.343 2.645 -12.294 1.00 22.44 H new ATOM 0 HG2 ARG A 315 10.105 -0.028 -11.124 1.00 30.44 H new ATOM 0 HG3 ARG A 315 10.123 0.192 -12.863 1.00 30.44 H new ATOM 0 HD2 ARG A 315 12.279 0.853 -12.404 1.00 13.11 H new ATOM 0 HD3 ARG A 315 11.482 2.405 -12.241 1.00 13.11 H new ATOM 0 HE ARG A 315 11.882 2.382 -9.937 1.00 22.02 H new ATOM 0 HH11 ARG A 315 12.487 -0.795 -11.354 1.00 34.53 H new ATOM 0 HH12 ARG A 315 13.240 -1.433 -9.888 1.00 34.53 H new ATOM 0 HH21 ARG A 315 12.850 1.554 -8.058 1.00 5.41 H new ATOM 0 HH22 ARG A 315 13.444 -0.110 -8.031 1.00 5.41 H new ATOM 102 N GLN A 316 6.647 3.238 -10.975 1.00 70.23 N ATOM 103 CA GLN A 316 5.736 4.375 -11.015 1.00 52.44 C ATOM 104 C GLN A 316 5.409 4.861 -9.607 1.00 43.30 C ATOM 105 O GLN A 316 5.267 6.061 -9.371 1.00 60.42 O ATOM 106 CB GLN A 316 4.448 3.998 -11.749 1.00 54.40 C ATOM 107 CG GLN A 316 3.726 2.807 -11.139 1.00 45.22 C ATOM 108 CD GLN A 316 2.433 2.478 -11.858 1.00 31.33 C ATOM 109 OE1 GLN A 316 2.428 2.206 -13.059 1.00 1.03 O ATOM 110 NE2 GLN A 316 1.326 2.500 -11.125 1.00 30.24 N ATOM 0 H GLN A 316 6.324 2.420 -11.491 1.00 70.23 H new ATOM 0 HA GLN A 316 6.229 5.184 -11.553 1.00 52.44 H new ATOM 0 HB2 GLN A 316 3.777 4.857 -11.752 1.00 54.40 H new ATOM 0 HB3 GLN A 316 4.685 3.775 -12.789 1.00 54.40 H new ATOM 0 HG2 GLN A 316 4.383 1.937 -11.164 1.00 45.22 H new ATOM 0 HG3 GLN A 316 3.512 3.015 -10.091 1.00 45.22 H new ATOM 0 HE21 GLN A 316 1.376 2.731 -10.133 1.00 30.24 H new ATOM 0 HE22 GLN A 316 0.426 2.286 -11.554 1.00 30.24 H new ATOM 119 N ALA A 317 5.291 3.922 -8.675 1.00 25.53 N ATOM 120 CA ALA A 317 4.983 4.254 -7.289 1.00 43.24 C ATOM 121 C ALA A 317 6.154 4.970 -6.623 1.00 73.43 C ATOM 122 O ALA A 317 5.963 5.790 -5.727 1.00 15.53 O ATOM 123 CB ALA A 317 4.620 2.997 -6.513 1.00 54.21 C ATOM 0 H ALA A 317 5.404 2.924 -8.854 1.00 25.53 H new ATOM 0 HA ALA A 317 4.128 4.930 -7.285 1.00 43.24 H new ATOM 0 HB1 ALA A 317 4.393 3.260 -5.480 1.00 54.21 H new ATOM 0 HB2 ALA A 317 3.748 2.527 -6.968 1.00 54.21 H new ATOM 0 HB3 ALA A 317 5.459 2.301 -6.534 1.00 54.21 H new ATOM 129 N ALA A 318 7.365 4.652 -7.067 1.00 65.11 N ATOM 130 CA ALA A 318 8.567 5.266 -6.514 1.00 74.55 C ATOM 131 C ALA A 318 8.797 6.652 -7.107 1.00 21.24 C ATOM 132 O ALA A 318 9.323 7.542 -6.440 1.00 3.21 O ATOM 133 CB ALA A 318 9.776 4.376 -6.763 1.00 33.15 C ATOM 0 H ALA A 318 7.540 3.973 -7.808 1.00 65.11 H new ATOM 0 HA ALA A 318 8.427 5.378 -5.439 1.00 74.55 H new ATOM 0 HB1 ALA A 318 10.666 4.846 -6.345 1.00 33.15 H new ATOM 0 HB2 ALA A 318 9.619 3.408 -6.287 1.00 33.15 H new ATOM 0 HB3 ALA A 318 9.910 4.235 -7.836 1.00 33.15 H new ATOM 139 N ALA A 319 8.400 6.827 -8.363 1.00 23.11 N ATOM 140 CA ALA A 319 8.563 8.105 -9.044 1.00 53.30 C ATOM 141 C ALA A 319 7.429 9.062 -8.693 1.00 12.53 C ATOM 142 O ALA A 319 7.658 10.246 -8.445 1.00 25.23 O ATOM 143 CB ALA A 319 8.632 7.896 -10.550 1.00 10.15 C ATOM 0 H ALA A 319 7.963 6.100 -8.929 1.00 23.11 H new ATOM 0 HA ALA A 319 9.498 8.551 -8.707 1.00 53.30 H new ATOM 0 HB1 ALA A 319 8.754 8.859 -11.046 1.00 10.15 H new ATOM 0 HB2 ALA A 319 9.480 7.255 -10.790 1.00 10.15 H new ATOM 0 HB3 ALA A 319 7.712 7.424 -10.894 1.00 10.15 H new ATOM 149 N GLN A 320 6.206 8.542 -8.674 1.00 52.42 N ATOM 150 CA GLN A 320 5.036 9.353 -8.354 1.00 64.55 C ATOM 151 C GLN A 320 5.244 10.117 -7.051 1.00 75.20 C ATOM 152 O GLN A 320 4.736 11.225 -6.884 1.00 1.22 O ATOM 153 CB GLN A 320 3.791 8.470 -8.250 1.00 25.13 C ATOM 154 CG GLN A 320 3.727 7.658 -6.966 1.00 4.31 C ATOM 155 CD GLN A 320 2.928 8.348 -5.879 1.00 14.45 C ATOM 156 OE1 GLN A 320 3.458 9.164 -5.124 1.00 45.33 O ATOM 157 NE2 GLN A 320 1.643 8.024 -5.792 1.00 52.20 N ATOM 0 H GLN A 320 5.999 7.564 -8.876 1.00 52.42 H new ATOM 0 HA GLN A 320 4.894 10.075 -9.158 1.00 64.55 H new ATOM 0 HB2 GLN A 320 2.903 9.099 -8.317 1.00 25.13 H new ATOM 0 HB3 GLN A 320 3.766 7.790 -9.102 1.00 25.13 H new ATOM 0 HG2 GLN A 320 3.282 6.686 -7.177 1.00 4.31 H new ATOM 0 HG3 GLN A 320 4.739 7.474 -6.606 1.00 4.31 H new ATOM 0 HE21 GLN A 320 1.244 7.343 -6.438 1.00 52.20 H new ATOM 0 HE22 GLN A 320 1.055 8.456 -5.079 1.00 52.20 H new ATOM 166 N GLU A 321 5.992 9.516 -6.131 1.00 12.11 N ATOM 167 CA GLU A 321 6.264 10.141 -4.842 1.00 22.01 C ATOM 168 C GLU A 321 7.281 11.269 -4.988 1.00 42.23 C ATOM 169 O GLU A 321 7.173 12.304 -4.331 1.00 44.14 O ATOM 170 CB GLU A 321 6.780 9.101 -3.845 1.00 12.11 C ATOM 171 CG GLU A 321 6.496 9.455 -2.395 1.00 2.23 C ATOM 172 CD GLU A 321 7.141 10.763 -1.977 1.00 34.32 C ATOM 173 OE1 GLU A 321 8.326 10.974 -2.309 1.00 34.42 O ATOM 174 OE2 GLU A 321 6.459 11.575 -1.317 1.00 53.24 O ATOM 0 H GLU A 321 6.420 8.598 -6.254 1.00 12.11 H new ATOM 0 HA GLU A 321 5.331 10.562 -4.467 1.00 22.01 H new ATOM 0 HB2 GLU A 321 6.325 8.137 -4.071 1.00 12.11 H new ATOM 0 HB3 GLU A 321 7.856 8.985 -3.978 1.00 12.11 H new ATOM 0 HG2 GLU A 321 5.418 9.521 -2.245 1.00 2.23 H new ATOM 0 HG3 GLU A 321 6.858 8.653 -1.751 1.00 2.23 H new ATOM 181 N GLU A 322 8.268 11.060 -5.854 1.00 61.10 N ATOM 182 CA GLU A 322 9.305 12.059 -6.085 1.00 60.34 C ATOM 183 C GLU A 322 8.732 13.285 -6.789 1.00 54.32 C ATOM 184 O GLU A 322 8.972 14.420 -6.376 1.00 71.12 O ATOM 185 CB GLU A 322 10.441 11.463 -6.920 1.00 10.03 C ATOM 186 CG GLU A 322 11.562 12.446 -7.212 1.00 11.32 C ATOM 187 CD GLU A 322 12.434 12.714 -6.000 1.00 72.33 C ATOM 188 OE1 GLU A 322 13.469 12.031 -5.851 1.00 53.30 O ATOM 189 OE2 GLU A 322 12.081 13.606 -5.201 1.00 55.54 O ATOM 0 H GLU A 322 8.371 10.209 -6.407 1.00 61.10 H new ATOM 0 HA GLU A 322 9.698 12.368 -5.116 1.00 60.34 H new ATOM 0 HB2 GLU A 322 10.853 10.601 -6.395 1.00 10.03 H new ATOM 0 HB3 GLU A 322 10.034 11.098 -7.863 1.00 10.03 H new ATOM 0 HG2 GLU A 322 12.180 12.056 -8.021 1.00 11.32 H new ATOM 0 HG3 GLU A 322 11.134 13.385 -7.562 1.00 11.32 H new ATOM 196 N ARG A 323 7.973 13.048 -7.854 1.00 40.34 N ATOM 197 CA ARG A 323 7.367 14.133 -8.617 1.00 73.21 C ATOM 198 C ARG A 323 6.374 14.912 -7.759 1.00 72.23 C ATOM 199 O ARG A 323 6.252 16.131 -7.884 1.00 41.20 O ATOM 200 CB ARG A 323 6.662 13.581 -9.857 1.00 71.45 C ATOM 201 CG ARG A 323 5.487 12.671 -9.536 1.00 43.03 C ATOM 202 CD ARG A 323 4.873 12.087 -10.799 1.00 42.20 C ATOM 203 NE ARG A 323 4.283 13.119 -11.648 1.00 34.42 N ATOM 204 CZ ARG A 323 3.921 12.914 -12.909 1.00 74.23 C ATOM 205 NH1 ARG A 323 4.088 11.722 -13.465 1.00 74.32 N ATOM 206 NH2 ARG A 323 3.390 13.903 -13.617 1.00 72.54 N ATOM 0 H ARG A 323 7.763 12.115 -8.208 1.00 40.34 H new ATOM 0 HA ARG A 323 8.161 14.811 -8.930 1.00 73.21 H new ATOM 0 HB2 ARG A 323 6.310 14.414 -10.465 1.00 71.45 H new ATOM 0 HB3 ARG A 323 7.384 13.029 -10.459 1.00 71.45 H new ATOM 0 HG2 ARG A 323 5.819 11.863 -8.884 1.00 43.03 H new ATOM 0 HG3 ARG A 323 4.730 13.232 -8.988 1.00 43.03 H new ATOM 0 HD2 ARG A 323 5.638 11.550 -11.360 1.00 42.20 H new ATOM 0 HD3 ARG A 323 4.108 11.360 -10.527 1.00 42.20 H new ATOM 0 HE ARG A 323 4.141 14.048 -11.251 1.00 34.42 H new ATOM 0 HH11 ARG A 323 4.495 10.959 -12.924 1.00 74.32 H new ATOM 0 HH12 ARG A 323 3.809 11.568 -14.434 1.00 74.32 H new ATOM 0 HH21 ARG A 323 3.260 14.821 -13.193 1.00 72.54 H new ATOM 0 HH22 ARG A 323 3.112 13.745 -14.586 1.00 72.54 H new ATOM 220 N LEU A 324 5.666 14.200 -6.889 1.00 51.13 N ATOM 221 CA LEU A 324 4.683 14.824 -6.011 1.00 13.14 C ATOM 222 C LEU A 324 5.296 15.997 -5.253 1.00 5.01 C ATOM 223 O LEU A 324 4.824 17.129 -5.353 1.00 62.13 O ATOM 224 CB LEU A 324 4.129 13.797 -5.022 1.00 30.15 C ATOM 225 CG LEU A 324 2.634 13.495 -5.134 1.00 1.45 C ATOM 226 CD1 LEU A 324 2.329 12.787 -6.444 1.00 62.12 C ATOM 227 CD2 LEU A 324 2.169 12.657 -3.951 1.00 41.45 C ATOM 0 H LEU A 324 5.754 13.190 -6.773 1.00 51.13 H new ATOM 0 HA LEU A 324 3.868 15.201 -6.629 1.00 13.14 H new ATOM 0 HB2 LEU A 324 4.678 12.864 -5.152 1.00 30.15 H new ATOM 0 HB3 LEU A 324 4.333 14.149 -4.011 1.00 30.15 H new ATOM 0 HG LEU A 324 2.090 14.439 -5.121 1.00 1.45 H new ATOM 0 HD11 LEU A 324 1.261 12.580 -6.506 1.00 62.12 H new ATOM 0 HD12 LEU A 324 2.624 13.423 -7.279 1.00 62.12 H new ATOM 0 HD13 LEU A 324 2.883 11.849 -6.488 1.00 62.12 H new ATOM 0 HD21 LEU A 324 1.103 12.452 -4.047 1.00 41.45 H new ATOM 0 HD22 LEU A 324 2.719 11.716 -3.933 1.00 41.45 H new ATOM 0 HD23 LEU A 324 2.351 13.202 -3.025 1.00 41.45 H new ATOM 239 N ALA A 325 6.353 15.718 -4.496 1.00 50.34 N ATOM 240 CA ALA A 325 7.034 16.751 -3.725 1.00 61.22 C ATOM 241 C ALA A 325 7.479 17.902 -4.621 1.00 71.44 C ATOM 242 O ALA A 325 7.445 19.064 -4.218 1.00 0.23 O ATOM 243 CB ALA A 325 8.228 16.160 -2.991 1.00 21.55 C ATOM 0 H ALA A 325 6.756 14.786 -4.401 1.00 50.34 H new ATOM 0 HA ALA A 325 6.330 17.146 -2.993 1.00 61.22 H new ATOM 0 HB1 ALA A 325 8.727 16.942 -2.419 1.00 21.55 H new ATOM 0 HB2 ALA A 325 7.887 15.377 -2.314 1.00 21.55 H new ATOM 0 HB3 ALA A 325 8.926 15.737 -3.713 1.00 21.55 H new ATOM 249 N ASP A 326 7.896 17.570 -5.838 1.00 42.43 N ATOM 250 CA ASP A 326 8.348 18.577 -6.792 1.00 73.21 C ATOM 251 C ASP A 326 7.276 19.641 -7.007 1.00 41.12 C ATOM 252 O ASP A 326 7.533 20.836 -6.852 1.00 35.14 O ATOM 253 CB ASP A 326 8.708 17.921 -8.126 1.00 74.11 C ATOM 254 CG ASP A 326 9.680 18.754 -8.937 1.00 45.11 C ATOM 255 OD1 ASP A 326 9.445 19.972 -9.077 1.00 12.23 O ATOM 256 OD2 ASP A 326 10.677 18.188 -9.433 1.00 22.30 O ATOM 0 H ASP A 326 7.931 16.612 -6.187 1.00 42.43 H new ATOM 0 HA ASP A 326 9.236 19.059 -6.382 1.00 73.21 H new ATOM 0 HB2 ASP A 326 9.143 16.939 -7.939 1.00 74.11 H new ATOM 0 HB3 ASP A 326 7.799 17.761 -8.706 1.00 74.11 H new ATOM 261 N LEU A 327 6.076 19.200 -7.367 1.00 14.45 N ATOM 262 CA LEU A 327 4.964 20.115 -7.604 1.00 44.13 C ATOM 263 C LEU A 327 4.650 20.927 -6.352 1.00 43.41 C ATOM 264 O LEU A 327 4.442 22.138 -6.422 1.00 13.21 O ATOM 265 CB LEU A 327 3.723 19.337 -8.046 1.00 45.31 C ATOM 266 CG LEU A 327 2.763 20.078 -8.977 1.00 43.15 C ATOM 267 CD1 LEU A 327 1.556 19.211 -9.299 1.00 11.13 C ATOM 268 CD2 LEU A 327 2.326 21.395 -8.354 1.00 14.50 C ATOM 0 H LEU A 327 5.848 18.215 -7.501 1.00 14.45 H new ATOM 0 HA LEU A 327 5.255 20.804 -8.397 1.00 44.13 H new ATOM 0 HB2 LEU A 327 4.049 18.424 -8.545 1.00 45.31 H new ATOM 0 HB3 LEU A 327 3.172 19.034 -7.155 1.00 45.31 H new ATOM 0 HG LEU A 327 3.286 20.296 -9.908 1.00 43.15 H new ATOM 0 HD11 LEU A 327 0.884 19.755 -9.963 1.00 11.13 H new ATOM 0 HD12 LEU A 327 1.886 18.295 -9.789 1.00 11.13 H new ATOM 0 HD13 LEU A 327 1.031 18.961 -8.377 1.00 11.13 H new ATOM 0 HD21 LEU A 327 1.643 21.909 -9.031 1.00 14.50 H new ATOM 0 HD22 LEU A 327 1.821 21.200 -7.408 1.00 14.50 H new ATOM 0 HD23 LEU A 327 3.200 22.021 -8.176 1.00 14.50 H new ATOM 280 N ALA A 328 4.620 20.253 -5.207 1.00 64.24 N ATOM 281 CA ALA A 328 4.336 20.913 -3.939 1.00 64.41 C ATOM 282 C ALA A 328 5.243 22.121 -3.734 1.00 0.40 C ATOM 283 O ALA A 328 4.806 23.161 -3.240 1.00 33.42 O ATOM 284 CB ALA A 328 4.493 19.931 -2.787 1.00 1.30 C ATOM 0 H ALA A 328 4.789 19.250 -5.132 1.00 64.24 H new ATOM 0 HA ALA A 328 3.305 21.266 -3.964 1.00 64.41 H new ATOM 0 HB1 ALA A 328 4.278 20.437 -1.846 1.00 1.30 H new ATOM 0 HB2 ALA A 328 3.799 19.101 -2.919 1.00 1.30 H new ATOM 0 HB3 ALA A 328 5.514 19.551 -2.770 1.00 1.30 H new ATOM 290 N SER A 329 6.508 21.978 -4.116 1.00 1.20 N ATOM 291 CA SER A 329 7.478 23.057 -3.969 1.00 53.45 C ATOM 292 C SER A 329 7.230 24.154 -5.001 1.00 64.44 C ATOM 293 O SER A 329 7.399 25.339 -4.716 1.00 51.32 O ATOM 294 CB SER A 329 8.901 22.516 -4.115 1.00 61.10 C ATOM 295 OG SER A 329 9.827 23.319 -3.404 1.00 23.53 O ATOM 0 H SER A 329 6.885 21.125 -4.530 1.00 1.20 H new ATOM 0 HA SER A 329 7.361 23.485 -2.973 1.00 53.45 H new ATOM 0 HB2 SER A 329 8.944 21.492 -3.745 1.00 61.10 H new ATOM 0 HB3 SER A 329 9.176 22.486 -5.169 1.00 61.10 H new ATOM 0 HG SER A 329 10.729 22.951 -3.512 1.00 23.53 H new ATOM 301 N ASP A 330 6.830 23.748 -6.201 1.00 40.13 N ATOM 302 CA ASP A 330 6.558 24.695 -7.277 1.00 20.51 C ATOM 303 C ASP A 330 5.595 25.783 -6.813 1.00 32.43 C ATOM 304 O ASP A 330 5.894 26.974 -6.907 1.00 64.45 O ATOM 305 CB ASP A 330 5.978 23.967 -8.491 1.00 24.11 C ATOM 306 CG ASP A 330 5.833 24.876 -9.696 1.00 20.33 C ATOM 307 OD1 ASP A 330 5.050 25.845 -9.616 1.00 74.32 O ATOM 308 OD2 ASP A 330 6.502 24.617 -10.718 1.00 50.43 O ATOM 0 H ASP A 330 6.687 22.770 -6.453 1.00 40.13 H new ATOM 0 HA ASP A 330 7.500 25.165 -7.561 1.00 20.51 H new ATOM 0 HB2 ASP A 330 6.622 23.126 -8.749 1.00 24.11 H new ATOM 0 HB3 ASP A 330 5.003 23.554 -8.232 1.00 24.11 H new ATOM 313 N LEU A 331 4.437 25.366 -6.312 1.00 1.11 N ATOM 314 CA LEU A 331 3.428 26.305 -5.834 1.00 4.25 C ATOM 315 C LEU A 331 3.889 26.993 -4.553 1.00 11.35 C ATOM 316 O LEU A 331 3.611 28.173 -4.334 1.00 51.34 O ATOM 317 CB LEU A 331 2.104 25.580 -5.589 1.00 13.33 C ATOM 318 CG LEU A 331 2.039 24.704 -4.337 1.00 3.40 C ATOM 319 CD1 LEU A 331 1.549 25.512 -3.145 1.00 62.21 C ATOM 320 CD2 LEU A 331 1.139 23.500 -4.574 1.00 43.53 C ATOM 0 H LEU A 331 4.174 24.384 -6.226 1.00 1.11 H new ATOM 0 HA LEU A 331 3.282 27.066 -6.601 1.00 4.25 H new ATOM 0 HB2 LEU A 331 1.311 26.325 -5.528 1.00 13.33 H new ATOM 0 HB3 LEU A 331 1.889 24.956 -6.456 1.00 13.33 H new ATOM 0 HG LEU A 331 3.044 24.343 -4.117 1.00 3.40 H new ATOM 0 HD11 LEU A 331 1.509 24.872 -2.263 1.00 62.21 H new ATOM 0 HD12 LEU A 331 2.233 26.341 -2.961 1.00 62.21 H new ATOM 0 HD13 LEU A 331 0.553 25.903 -3.355 1.00 62.21 H new ATOM 0 HD21 LEU A 331 1.105 22.888 -3.673 1.00 43.53 H new ATOM 0 HD22 LEU A 331 0.133 23.840 -4.820 1.00 43.53 H new ATOM 0 HD23 LEU A 331 1.534 22.908 -5.400 1.00 43.53 H new ATOM 332 N LEU A 332 4.596 26.249 -3.709 1.00 41.51 N ATOM 333 CA LEU A 332 5.098 26.788 -2.450 1.00 1.32 C ATOM 334 C LEU A 332 5.980 28.009 -2.693 1.00 20.12 C ATOM 335 O LEU A 332 5.633 29.126 -2.306 1.00 62.21 O ATOM 336 CB LEU A 332 5.886 25.718 -1.693 1.00 3.15 C ATOM 337 CG LEU A 332 6.249 26.050 -0.245 1.00 15.14 C ATOM 338 CD1 LEU A 332 4.993 26.310 0.574 1.00 62.53 C ATOM 339 CD2 LEU A 332 7.066 24.925 0.372 1.00 22.51 C ATOM 0 H LEU A 332 4.834 25.271 -3.874 1.00 41.51 H new ATOM 0 HA LEU A 332 4.243 27.095 -1.848 1.00 1.32 H new ATOM 0 HB2 LEU A 332 5.305 24.796 -1.699 1.00 3.15 H new ATOM 0 HB3 LEU A 332 6.807 25.518 -2.241 1.00 3.15 H new ATOM 0 HG LEU A 332 6.855 26.956 -0.241 1.00 15.14 H new ATOM 0 HD11 LEU A 332 5.271 26.545 1.602 1.00 62.53 H new ATOM 0 HD12 LEU A 332 4.446 27.150 0.145 1.00 62.53 H new ATOM 0 HD13 LEU A 332 4.361 25.422 0.563 1.00 62.53 H new ATOM 0 HD21 LEU A 332 7.315 25.179 1.402 1.00 22.51 H new ATOM 0 HD22 LEU A 332 6.485 24.003 0.356 1.00 22.51 H new ATOM 0 HD23 LEU A 332 7.984 24.786 -0.199 1.00 22.51 H new ATOM 351 N LEU A 333 7.121 27.789 -3.337 1.00 54.14 N ATOM 352 CA LEU A 333 8.052 28.872 -3.635 1.00 22.42 C ATOM 353 C LEU A 333 7.352 30.004 -4.380 1.00 32.44 C ATOM 354 O LEU A 333 7.636 31.179 -4.151 1.00 25.33 O ATOM 355 CB LEU A 333 9.225 28.348 -4.466 1.00 31.12 C ATOM 356 CG LEU A 333 10.386 27.740 -3.679 1.00 24.11 C ATOM 357 CD1 LEU A 333 11.113 28.814 -2.885 1.00 23.14 C ATOM 358 CD2 LEU A 333 9.887 26.638 -2.756 1.00 75.11 C ATOM 0 H LEU A 333 7.424 26.871 -3.663 1.00 54.14 H new ATOM 0 HA LEU A 333 8.429 29.263 -2.690 1.00 22.42 H new ATOM 0 HB2 LEU A 333 8.847 27.595 -5.157 1.00 31.12 H new ATOM 0 HB3 LEU A 333 9.612 29.169 -5.070 1.00 31.12 H new ATOM 0 HG LEU A 333 11.089 27.302 -4.387 1.00 24.11 H new ATOM 0 HD11 LEU A 333 11.936 28.363 -2.331 1.00 23.14 H new ATOM 0 HD12 LEU A 333 11.505 29.568 -3.567 1.00 23.14 H new ATOM 0 HD13 LEU A 333 10.419 29.282 -2.187 1.00 23.14 H new ATOM 0 HD21 LEU A 333 10.728 26.217 -2.204 1.00 75.11 H new ATOM 0 HD22 LEU A 333 9.163 27.051 -2.054 1.00 75.11 H new ATOM 0 HD23 LEU A 333 9.413 25.855 -3.348 1.00 75.11 H new ATOM 370 N GLN A 334 6.434 29.640 -5.270 1.00 12.45 N ATOM 371 CA GLN A 334 5.692 30.626 -6.046 1.00 53.25 C ATOM 372 C GLN A 334 4.903 31.558 -5.132 1.00 43.44 C ATOM 373 O GLN A 334 4.758 32.747 -5.418 1.00 12.22 O ATOM 374 CB GLN A 334 4.744 29.928 -7.023 1.00 53.31 C ATOM 375 CG GLN A 334 3.816 30.883 -7.758 1.00 65.20 C ATOM 376 CD GLN A 334 3.387 30.353 -9.112 1.00 23.10 C ATOM 377 OE1 GLN A 334 2.196 30.199 -9.382 1.00 32.31 O ATOM 378 NE2 GLN A 334 4.358 30.071 -9.973 1.00 24.14 N ATOM 0 H GLN A 334 6.187 28.671 -5.471 1.00 12.45 H new ATOM 0 HA GLN A 334 6.410 31.222 -6.609 1.00 53.25 H new ATOM 0 HB2 GLN A 334 5.333 29.373 -7.753 1.00 53.31 H new ATOM 0 HB3 GLN A 334 4.144 29.200 -6.477 1.00 53.31 H new ATOM 0 HG2 GLN A 334 2.932 31.067 -7.147 1.00 65.20 H new ATOM 0 HG3 GLN A 334 4.318 31.842 -7.890 1.00 65.20 H new ATOM 0 HE21 GLN A 334 5.332 30.214 -9.707 1.00 24.14 H new ATOM 0 HE22 GLN A 334 4.129 29.712 -10.900 1.00 24.14 H new ATOM 387 N TYR A 335 4.396 31.011 -4.033 1.00 42.33 N ATOM 388 CA TYR A 335 3.620 31.793 -3.078 1.00 51.35 C ATOM 389 C TYR A 335 4.377 33.050 -2.661 1.00 13.51 C ATOM 390 O TYR A 335 3.918 34.171 -2.890 1.00 63.43 O ATOM 391 CB TYR A 335 3.290 30.950 -1.846 1.00 12.23 C ATOM 392 CG TYR A 335 1.997 31.347 -1.169 1.00 72.34 C ATOM 393 CD1 TYR A 335 2.002 32.132 -0.023 1.00 62.01 C ATOM 394 CD2 TYR A 335 0.770 30.935 -1.676 1.00 2.51 C ATOM 395 CE1 TYR A 335 0.823 32.496 0.599 1.00 45.23 C ATOM 396 CE2 TYR A 335 -0.413 31.296 -1.062 1.00 14.23 C ATOM 397 CZ TYR A 335 -0.382 32.076 0.075 1.00 4.33 C ATOM 398 OH TYR A 335 -1.558 32.436 0.691 1.00 54.50 O ATOM 0 H TYR A 335 4.508 30.029 -3.781 1.00 42.33 H new ATOM 0 HA TYR A 335 2.691 32.094 -3.563 1.00 51.35 H new ATOM 0 HB2 TYR A 335 3.230 29.902 -2.139 1.00 12.23 H new ATOM 0 HB3 TYR A 335 4.107 31.034 -1.129 1.00 12.23 H new ATOM 0 HD1 TYR A 335 2.944 32.464 0.389 1.00 62.01 H new ATOM 0 HD2 TYR A 335 0.741 30.322 -2.565 1.00 2.51 H new ATOM 0 HE1 TYR A 335 0.845 33.106 1.490 1.00 45.23 H new ATOM 0 HE2 TYR A 335 -1.358 30.969 -1.470 1.00 14.23 H new ATOM 0 HH TYR A 335 -2.315 32.060 0.196 1.00 54.50 H new ATOM 408 N LEU A 336 5.539 32.857 -2.047 1.00 73.20 N ATOM 409 CA LEU A 336 6.362 33.974 -1.597 1.00 52.10 C ATOM 410 C LEU A 336 7.021 34.676 -2.780 1.00 21.20 C ATOM 411 O LEU A 336 7.160 35.900 -2.791 1.00 20.31 O ATOM 412 CB LEU A 336 7.431 33.484 -0.619 1.00 63.14 C ATOM 413 CG LEU A 336 8.248 32.272 -1.070 1.00 51.21 C ATOM 414 CD1 LEU A 336 9.719 32.465 -0.734 1.00 74.14 C ATOM 415 CD2 LEU A 336 7.714 31.000 -0.427 1.00 43.40 C ATOM 0 H LEU A 336 5.933 31.937 -1.849 1.00 73.20 H new ATOM 0 HA LEU A 336 5.715 34.689 -1.089 1.00 52.10 H new ATOM 0 HB2 LEU A 336 8.118 34.307 -0.421 1.00 63.14 H new ATOM 0 HB3 LEU A 336 6.946 33.239 0.326 1.00 63.14 H new ATOM 0 HG LEU A 336 8.153 32.176 -2.152 1.00 51.21 H new ATOM 0 HD11 LEU A 336 10.285 31.593 -1.062 1.00 74.14 H new ATOM 0 HD12 LEU A 336 10.095 33.353 -1.242 1.00 74.14 H new ATOM 0 HD13 LEU A 336 9.833 32.587 0.343 1.00 74.14 H new ATOM 0 HD21 LEU A 336 8.307 30.148 -0.759 1.00 43.40 H new ATOM 0 HD22 LEU A 336 7.778 31.086 0.658 1.00 43.40 H new ATOM 0 HD23 LEU A 336 6.674 30.854 -0.719 1.00 43.40 H new ATOM 427 N LEU A 337 7.424 33.894 -3.775 1.00 71.24 N ATOM 428 CA LEU A 337 8.067 34.440 -4.965 1.00 51.15 C ATOM 429 C LEU A 337 7.203 35.524 -5.602 1.00 2.41 C ATOM 430 O LEU A 337 7.643 36.662 -5.770 1.00 34.45 O ATOM 431 CB LEU A 337 8.337 33.327 -5.979 1.00 45.24 C ATOM 432 CG LEU A 337 9.105 33.737 -7.237 1.00 74.01 C ATOM 433 CD1 LEU A 337 9.940 32.576 -7.755 1.00 1.44 C ATOM 434 CD2 LEU A 337 8.145 34.226 -8.312 1.00 14.34 C ATOM 0 H LEU A 337 7.317 32.880 -3.782 1.00 71.24 H new ATOM 0 HA LEU A 337 9.014 34.886 -4.663 1.00 51.15 H new ATOM 0 HB2 LEU A 337 8.894 32.535 -5.479 1.00 45.24 H new ATOM 0 HB3 LEU A 337 7.381 32.901 -6.284 1.00 45.24 H new ATOM 0 HG LEU A 337 9.777 34.555 -6.978 1.00 74.01 H new ATOM 0 HD11 LEU A 337 10.479 32.886 -8.650 1.00 1.44 H new ATOM 0 HD12 LEU A 337 10.653 32.271 -6.989 1.00 1.44 H new ATOM 0 HD13 LEU A 337 9.287 31.738 -7.997 1.00 1.44 H new ATOM 0 HD21 LEU A 337 8.709 34.513 -9.200 1.00 14.34 H new ATOM 0 HD22 LEU A 337 7.448 33.428 -8.567 1.00 14.34 H new ATOM 0 HD23 LEU A 337 7.590 35.087 -7.940 1.00 14.34 H new ATOM 446 N GLN A 338 5.973 35.164 -5.952 1.00 14.01 N ATOM 447 CA GLN A 338 5.047 36.107 -6.568 1.00 42.32 C ATOM 448 C GLN A 338 4.938 37.383 -5.740 1.00 2.22 C ATOM 449 O GLN A 338 4.815 38.480 -6.284 1.00 32.33 O ATOM 450 CB GLN A 338 3.666 35.469 -6.728 1.00 2.05 C ATOM 451 CG GLN A 338 2.772 36.194 -7.720 1.00 72.12 C ATOM 452 CD GLN A 338 1.964 35.243 -8.581 1.00 64.42 C ATOM 453 OE1 GLN A 338 1.870 35.415 -9.797 1.00 1.12 O ATOM 454 NE2 GLN A 338 1.376 34.230 -7.954 1.00 43.52 N ATOM 0 H GLN A 338 5.594 34.226 -5.820 1.00 14.01 H new ATOM 0 HA GLN A 338 5.435 36.367 -7.553 1.00 42.32 H new ATOM 0 HB2 GLN A 338 3.788 34.435 -7.050 1.00 2.05 H new ATOM 0 HB3 GLN A 338 3.172 35.444 -5.757 1.00 2.05 H new ATOM 0 HG2 GLN A 338 2.094 36.853 -7.178 1.00 72.12 H new ATOM 0 HG3 GLN A 338 3.386 36.827 -8.361 1.00 72.12 H new ATOM 0 HE21 GLN A 338 1.480 34.125 -6.945 1.00 43.52 H new ATOM 0 HE22 GLN A 338 0.820 33.557 -8.482 1.00 43.52 H new ATOM 463 N GLY A 339 4.984 37.232 -4.420 1.00 23.34 N ATOM 464 CA GLY A 339 4.889 38.380 -3.537 1.00 52.04 C ATOM 465 C GLY A 339 5.897 39.459 -3.880 1.00 15.43 C ATOM 466 O GLY A 339 5.566 40.644 -3.895 1.00 42.45 O ATOM 0 H GLY A 339 5.085 36.335 -3.946 1.00 23.34 H new ATOM 0 HA2 GLY A 339 3.883 38.796 -3.593 1.00 52.04 H new ATOM 0 HA3 GLY A 339 5.043 38.057 -2.508 1.00 52.04 H new ATOM 470 N GLY A 340 7.131 39.049 -4.153 1.00 44.12 N ATOM 471 CA GLY A 340 8.172 40.002 -4.491 1.00 41.42 C ATOM 472 C GLY A 340 8.248 40.275 -5.980 1.00 75.34 C ATOM 473 O GLY A 340 8.564 41.388 -6.399 1.00 73.34 O ATOM 0 H GLY A 340 7.429 38.074 -4.146 1.00 44.12 H new ATOM 0 HA2 GLY A 340 7.989 40.937 -3.962 1.00 41.42 H new ATOM 0 HA3 GLY A 340 9.134 39.623 -4.145 1.00 41.42 H new ATOM 477 N ALA A 341 7.958 39.255 -6.782 1.00 40.12 N ATOM 478 CA ALA A 341 7.994 39.390 -8.233 1.00 43.01 C ATOM 479 C ALA A 341 7.159 40.579 -8.695 1.00 34.00 C ATOM 480 O ALA A 341 7.650 41.456 -9.405 1.00 53.52 O ATOM 481 CB ALA A 341 7.505 38.110 -8.895 1.00 4.04 C ATOM 0 H ALA A 341 7.696 38.327 -6.451 1.00 40.12 H new ATOM 0 HA ALA A 341 9.027 39.568 -8.531 1.00 43.01 H new ATOM 0 HB1 ALA A 341 7.537 38.225 -9.978 1.00 4.04 H new ATOM 0 HB2 ALA A 341 8.146 37.280 -8.599 1.00 4.04 H new ATOM 0 HB3 ALA A 341 6.481 37.907 -8.582 1.00 4.04 H new ATOM 487 N ARG A 342 5.894 40.601 -8.288 1.00 33.01 N ATOM 488 CA ARG A 342 4.989 41.682 -8.662 1.00 24.40 C ATOM 489 C ARG A 342 5.492 43.020 -8.129 1.00 13.13 C ATOM 490 O ARG A 342 5.378 44.047 -8.797 1.00 71.13 O ATOM 491 CB ARG A 342 3.582 41.405 -8.130 1.00 71.44 C ATOM 492 CG ARG A 342 3.527 41.208 -6.624 1.00 45.31 C ATOM 493 CD ARG A 342 2.384 40.289 -6.223 1.00 44.10 C ATOM 494 NE ARG A 342 1.153 41.029 -5.962 1.00 54.23 N ATOM 495 CZ ARG A 342 0.976 41.812 -4.904 1.00 34.13 C ATOM 496 NH1 ARG A 342 1.946 41.956 -4.012 1.00 42.11 N ATOM 497 NH2 ARG A 342 -0.174 42.453 -4.736 1.00 30.22 N ATOM 0 H ARG A 342 5.472 39.883 -7.699 1.00 33.01 H new ATOM 0 HA ARG A 342 4.954 41.734 -9.750 1.00 24.40 H new ATOM 0 HB2 ARG A 342 2.930 42.235 -8.403 1.00 71.44 H new ATOM 0 HB3 ARG A 342 3.187 40.514 -8.619 1.00 71.44 H new ATOM 0 HG2 ARG A 342 4.471 40.789 -6.276 1.00 45.31 H new ATOM 0 HG3 ARG A 342 3.407 42.174 -6.134 1.00 45.31 H new ATOM 0 HD2 ARG A 342 2.209 39.562 -7.016 1.00 44.10 H new ATOM 0 HD3 ARG A 342 2.666 39.728 -5.332 1.00 44.10 H new ATOM 0 HE ARG A 342 0.387 40.940 -6.629 1.00 54.23 H new ATOM 0 HH11 ARG A 342 2.831 41.465 -4.137 1.00 42.11 H new ATOM 0 HH12 ARG A 342 1.807 42.558 -3.200 1.00 42.11 H new ATOM 0 HH21 ARG A 342 -0.923 42.344 -5.420 1.00 30.22 H new ATOM 0 HH22 ARG A 342 -0.309 43.054 -3.923 1.00 30.22 H new ATOM 511 N GLN A 343 6.046 43.000 -6.921 1.00 65.50 N ATOM 512 CA GLN A 343 6.565 44.212 -6.298 1.00 73.22 C ATOM 513 C GLN A 343 7.728 44.782 -7.103 1.00 1.55 C ATOM 514 O GLN A 343 7.872 45.999 -7.227 1.00 74.22 O ATOM 515 CB GLN A 343 7.014 43.922 -4.865 1.00 13.11 C ATOM 516 CG GLN A 343 5.890 44.015 -3.845 1.00 4.21 C ATOM 517 CD GLN A 343 5.717 45.417 -3.294 1.00 21.32 C ATOM 518 OE1 GLN A 343 6.342 46.365 -3.770 1.00 12.11 O ATOM 519 NE2 GLN A 343 4.865 45.555 -2.284 1.00 44.14 N ATOM 0 H GLN A 343 6.147 42.158 -6.354 1.00 65.50 H new ATOM 0 HA GLN A 343 5.765 44.952 -6.277 1.00 73.22 H new ATOM 0 HB2 GLN A 343 7.449 42.923 -4.824 1.00 13.11 H new ATOM 0 HB3 GLN A 343 7.802 44.624 -4.591 1.00 13.11 H new ATOM 0 HG2 GLN A 343 4.957 43.693 -4.308 1.00 4.21 H new ATOM 0 HG3 GLN A 343 6.092 43.328 -3.023 1.00 4.21 H new ATOM 0 HE21 GLN A 343 4.368 44.741 -1.921 1.00 44.14 H new ATOM 0 HE22 GLN A 343 4.708 46.475 -1.872 1.00 44.14 H new ATOM 528 N ARG A 344 8.556 43.896 -7.646 1.00 2.40 N ATOM 529 CA ARG A 344 9.708 44.312 -8.437 1.00 41.30 C ATOM 530 C ARG A 344 9.287 45.266 -9.551 1.00 52.11 C ATOM 531 O ARG A 344 10.011 46.201 -9.889 1.00 5.00 O ATOM 532 CB ARG A 344 10.411 43.092 -9.034 1.00 72.15 C ATOM 533 CG ARG A 344 11.886 43.319 -9.322 1.00 70.40 C ATOM 534 CD ARG A 344 12.653 42.006 -9.365 1.00 3.42 C ATOM 535 NE ARG A 344 13.810 42.077 -10.254 1.00 53.30 N ATOM 536 CZ ARG A 344 14.974 42.614 -9.905 1.00 35.12 C ATOM 537 NH1 ARG A 344 15.135 43.123 -8.691 1.00 51.54 N ATOM 538 NH2 ARG A 344 15.979 42.641 -10.770 1.00 2.11 N ATOM 0 H ARG A 344 8.451 42.886 -7.553 1.00 2.40 H new ATOM 0 HA ARG A 344 10.400 44.835 -7.777 1.00 41.30 H new ATOM 0 HB2 ARG A 344 10.309 42.252 -8.347 1.00 72.15 H new ATOM 0 HB3 ARG A 344 9.908 42.810 -9.959 1.00 72.15 H new ATOM 0 HG2 ARG A 344 11.996 43.838 -10.274 1.00 70.40 H new ATOM 0 HG3 ARG A 344 12.312 43.966 -8.555 1.00 70.40 H new ATOM 0 HD2 ARG A 344 12.984 41.746 -8.359 1.00 3.42 H new ATOM 0 HD3 ARG A 344 11.988 41.209 -9.698 1.00 3.42 H new ATOM 0 HE ARG A 344 13.719 41.693 -11.195 1.00 53.30 H new ATOM 0 HH11 ARG A 344 14.364 43.103 -8.023 1.00 51.54 H new ATOM 0 HH12 ARG A 344 16.030 43.535 -8.425 1.00 51.54 H new ATOM 0 HH21 ARG A 344 15.859 42.249 -11.704 1.00 2.11 H new ATOM 0 HH22 ARG A 344 16.872 43.054 -10.501 1.00 2.11 H new ATOM 552 N GLY A 345 8.109 45.022 -10.119 1.00 24.23 N ATOM 553 CA GLY A 345 7.612 45.867 -11.189 1.00 23.41 C ATOM 554 C GLY A 345 7.547 47.328 -10.791 1.00 61.13 C ATOM 555 O GLY A 345 8.138 48.185 -11.449 1.00 40.25 O ATOM 0 H GLY A 345 7.491 44.254 -9.857 1.00 24.23 H new ATOM 0 HA2 GLY A 345 8.256 45.760 -12.062 1.00 23.41 H new ATOM 0 HA3 GLY A 345 6.618 45.529 -11.483 1.00 23.41 H new ATOM 559 N LEU A 346 6.826 47.614 -9.713 1.00 3.32 N ATOM 560 CA LEU A 346 6.684 48.983 -9.229 1.00 3.12 C ATOM 561 C LEU A 346 8.015 49.518 -8.709 1.00 31.42 C ATOM 562 O LEU A 346 8.425 50.627 -9.047 1.00 15.32 O ATOM 563 CB LEU A 346 5.629 49.047 -8.123 1.00 51.13 C ATOM 564 CG LEU A 346 4.208 48.651 -8.528 1.00 4.42 C ATOM 565 CD1 LEU A 346 3.440 48.120 -7.328 1.00 22.03 C ATOM 566 CD2 LEU A 346 3.481 49.836 -9.147 1.00 72.44 C ATOM 0 H LEU A 346 6.331 46.917 -9.157 1.00 3.32 H new ATOM 0 HA LEU A 346 6.364 49.606 -10.064 1.00 3.12 H new ATOM 0 HB2 LEU A 346 5.947 48.398 -7.307 1.00 51.13 H new ATOM 0 HB3 LEU A 346 5.604 50.064 -7.731 1.00 51.13 H new ATOM 0 HG LEU A 346 4.270 47.858 -9.273 1.00 4.42 H new ATOM 0 HD11 LEU A 346 2.431 47.843 -7.635 1.00 22.03 H new ATOM 0 HD12 LEU A 346 3.951 47.244 -6.928 1.00 22.03 H new ATOM 0 HD13 LEU A 346 3.387 48.891 -6.560 1.00 22.03 H new ATOM 0 HD21 LEU A 346 2.472 49.537 -9.429 1.00 72.44 H new ATOM 0 HD22 LEU A 346 3.429 50.649 -8.423 1.00 72.44 H new ATOM 0 HD23 LEU A 346 4.021 50.172 -10.032 1.00 72.44 H new ATOM 578 N GLY A 347 8.687 48.718 -7.885 1.00 51.45 N ATOM 579 CA GLY A 347 9.965 49.128 -7.334 1.00 24.52 C ATOM 580 C GLY A 347 11.137 48.650 -8.169 1.00 33.32 C ATOM 581 O GLY A 347 11.658 49.392 -9.001 1.00 73.34 O ATOM 0 H GLY A 347 8.369 47.795 -7.590 1.00 51.45 H new ATOM 0 HA2 GLY A 347 9.994 50.215 -7.262 1.00 24.52 H new ATOM 0 HA3 GLY A 347 10.062 48.738 -6.321 1.00 24.52 H new TER 585 GLY A 347