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 19:sc= 0.442 USER MOD Single : A 310 GLN : amide:sc=-0.00455 X(o=-0.0045,f=-0.41) USER MOD Single : A 314 THR OG1 : rot 75:sc= 0.935 USER MOD Single : A 316 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 320 GLN : amide:sc= -1.82 K(o=-1.8,f=-10!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 343 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 309 6.014 -9.540 -5.702 1.00 2.40 N ATOM 2 CA SER A 309 6.129 -8.100 -5.903 1.00 54.12 C ATOM 3 C SER A 309 6.149 -7.759 -7.390 1.00 74.02 C ATOM 4 O SER A 309 6.579 -8.564 -8.216 1.00 10.22 O ATOM 5 CB SER A 309 7.395 -7.569 -5.230 1.00 3.55 C ATOM 6 OG SER A 309 7.658 -8.259 -4.020 1.00 73.02 O ATOM 0 HA SER A 309 5.259 -7.625 -5.450 1.00 54.12 H new ATOM 0 HB2 SER A 309 8.243 -7.678 -5.906 1.00 3.55 H new ATOM 0 HB3 SER A 309 7.284 -6.504 -5.028 1.00 3.55 H new ATOM 0 HG SER A 309 7.172 -9.110 -4.016 1.00 73.02 H new ATOM 12 N GLN A 310 5.680 -6.561 -7.722 1.00 53.45 N ATOM 13 CA GLN A 310 5.643 -6.113 -9.110 1.00 32.13 C ATOM 14 C GLN A 310 6.521 -4.882 -9.308 1.00 62.21 C ATOM 15 O GLN A 310 6.142 -3.771 -8.939 1.00 22.21 O ATOM 16 CB GLN A 310 4.205 -5.801 -9.529 1.00 62.31 C ATOM 17 CG GLN A 310 3.306 -7.026 -9.576 1.00 31.03 C ATOM 18 CD GLN A 310 1.836 -6.667 -9.676 1.00 23.44 C ATOM 19 OE1 GLN A 310 1.349 -5.792 -8.959 1.00 72.44 O ATOM 20 NE2 GLN A 310 1.121 -7.343 -10.567 1.00 61.33 N ATOM 0 H GLN A 310 5.320 -5.883 -7.050 1.00 53.45 H new ATOM 0 HA GLN A 310 6.030 -6.917 -9.736 1.00 32.13 H new ATOM 0 HB2 GLN A 310 3.782 -5.076 -8.833 1.00 62.31 H new ATOM 0 HB3 GLN A 310 4.216 -5.330 -10.512 1.00 62.31 H new ATOM 0 HG2 GLN A 310 3.584 -7.644 -10.430 1.00 31.03 H new ATOM 0 HG3 GLN A 310 3.469 -7.627 -8.681 1.00 31.03 H new ATOM 0 HE21 GLN A 310 1.566 -8.060 -11.140 1.00 61.33 H new ATOM 0 HE22 GLN A 310 0.127 -7.146 -10.679 1.00 61.33 H new ATOM 29 N ALA A 311 7.697 -5.088 -9.893 1.00 74.22 N ATOM 30 CA ALA A 311 8.628 -3.995 -10.142 1.00 61.00 C ATOM 31 C ALA A 311 7.944 -2.848 -10.878 1.00 2.22 C ATOM 32 O ALA A 311 8.231 -1.678 -10.625 1.00 33.23 O ATOM 33 CB ALA A 311 9.827 -4.493 -10.935 1.00 72.45 C ATOM 0 H ALA A 311 8.027 -6.002 -10.203 1.00 74.22 H new ATOM 0 HA ALA A 311 8.974 -3.619 -9.179 1.00 61.00 H new ATOM 0 HB1 ALA A 311 10.514 -3.666 -11.114 1.00 72.45 H new ATOM 0 HB2 ALA A 311 10.338 -5.273 -10.371 1.00 72.45 H new ATOM 0 HB3 ALA A 311 9.490 -4.897 -11.889 1.00 72.45 H new ATOM 39 N GLU A 312 7.040 -3.191 -11.790 1.00 32.23 N ATOM 40 CA GLU A 312 6.317 -2.188 -12.563 1.00 32.30 C ATOM 41 C GLU A 312 5.596 -1.207 -11.643 1.00 21.32 C ATOM 42 O GLU A 312 5.930 -0.024 -11.596 1.00 42.11 O ATOM 43 CB GLU A 312 5.310 -2.861 -13.498 1.00 32.51 C ATOM 44 CG GLU A 312 5.922 -3.936 -14.380 1.00 65.30 C ATOM 45 CD GLU A 312 5.082 -4.233 -15.607 1.00 21.32 C ATOM 46 OE1 GLU A 312 4.859 -3.304 -16.411 1.00 63.55 O ATOM 47 OE2 GLU A 312 4.647 -5.393 -15.762 1.00 61.41 O ATOM 0 H GLU A 312 6.791 -4.155 -12.012 1.00 32.23 H new ATOM 0 HA GLU A 312 7.042 -1.634 -13.159 1.00 32.30 H new ATOM 0 HB2 GLU A 312 4.512 -3.303 -12.901 1.00 32.51 H new ATOM 0 HB3 GLU A 312 4.851 -2.102 -14.131 1.00 32.51 H new ATOM 0 HG2 GLU A 312 6.917 -3.620 -14.693 1.00 65.30 H new ATOM 0 HG3 GLU A 312 6.046 -4.850 -13.799 1.00 65.30 H new ATOM 54 N ALA A 313 4.605 -1.709 -10.913 1.00 0.30 N ATOM 55 CA ALA A 313 3.838 -0.878 -9.993 1.00 73.12 C ATOM 56 C ALA A 313 4.752 -0.173 -8.997 1.00 41.12 C ATOM 57 O ALA A 313 4.505 0.971 -8.613 1.00 62.21 O ATOM 58 CB ALA A 313 2.804 -1.719 -9.259 1.00 71.55 C ATOM 0 H ALA A 313 4.315 -2.686 -10.941 1.00 0.30 H new ATOM 0 HA ALA A 313 3.323 -0.115 -10.576 1.00 73.12 H new ATOM 0 HB1 ALA A 313 2.239 -1.086 -8.575 1.00 71.55 H new ATOM 0 HB2 ALA A 313 2.124 -2.171 -9.981 1.00 71.55 H new ATOM 0 HB3 ALA A 313 3.308 -2.503 -8.694 1.00 71.55 H new ATOM 64 N THR A 314 5.810 -0.862 -8.581 1.00 32.42 N ATOM 65 CA THR A 314 6.760 -0.303 -7.628 1.00 21.01 C ATOM 66 C THR A 314 7.476 0.909 -8.213 1.00 22.03 C ATOM 67 O THR A 314 7.773 1.869 -7.502 1.00 25.14 O ATOM 68 CB THR A 314 7.808 -1.348 -7.201 1.00 3.33 C ATOM 69 OG1 THR A 314 7.158 -2.489 -6.631 1.00 62.42 O ATOM 70 CG2 THR A 314 8.782 -0.756 -6.192 1.00 73.52 C ATOM 0 H THR A 314 6.030 -1.809 -8.890 1.00 32.42 H new ATOM 0 HA THR A 314 6.187 0.004 -6.753 1.00 21.01 H new ATOM 0 HB THR A 314 8.366 -1.653 -8.086 1.00 3.33 H new ATOM 0 HG1 THR A 314 6.755 -3.026 -7.345 1.00 62.42 H new ATOM 0 HG21 THR A 314 9.513 -1.512 -5.905 1.00 73.52 H new ATOM 0 HG22 THR A 314 9.296 0.095 -6.639 1.00 73.52 H new ATOM 0 HG23 THR A 314 8.235 -0.426 -5.309 1.00 73.52 H new ATOM 78 N ARG A 315 7.750 0.859 -9.512 1.00 60.43 N ATOM 79 CA ARG A 315 8.432 1.953 -10.192 1.00 61.03 C ATOM 80 C ARG A 315 7.617 3.240 -10.104 1.00 3.12 C ATOM 81 O ARG A 315 8.071 4.235 -9.538 1.00 74.51 O ATOM 82 CB ARG A 315 8.681 1.594 -11.658 1.00 43.34 C ATOM 83 CG ARG A 315 9.792 2.407 -12.304 1.00 54.11 C ATOM 84 CD ARG A 315 11.162 1.828 -11.989 1.00 32.42 C ATOM 85 NE ARG A 315 12.239 2.617 -12.580 1.00 60.42 N ATOM 86 CZ ARG A 315 13.505 2.217 -12.621 1.00 4.53 C ATOM 87 NH1 ARG A 315 13.851 1.045 -12.107 1.00 61.14 N ATOM 88 NH2 ARG A 315 14.429 2.992 -13.176 1.00 71.31 N ATOM 0 H ARG A 315 7.510 0.072 -10.115 1.00 60.43 H new ATOM 0 HA ARG A 315 9.389 2.115 -9.697 1.00 61.03 H new ATOM 0 HB2 ARG A 315 8.930 0.535 -11.727 1.00 43.34 H new ATOM 0 HB3 ARG A 315 7.760 1.742 -12.221 1.00 43.34 H new ATOM 0 HG2 ARG A 315 9.646 2.431 -13.384 1.00 54.11 H new ATOM 0 HG3 ARG A 315 9.742 3.437 -11.952 1.00 54.11 H new ATOM 0 HD2 ARG A 315 11.297 1.783 -10.908 1.00 32.42 H new ATOM 0 HD3 ARG A 315 11.217 0.805 -12.360 1.00 32.42 H new ATOM 0 HE ARG A 315 12.007 3.525 -12.983 1.00 60.42 H new ATOM 0 HH11 ARG A 315 13.144 0.447 -11.678 1.00 61.14 H new ATOM 0 HH12 ARG A 315 14.824 0.741 -12.140 1.00 61.14 H new ATOM 0 HH21 ARG A 315 14.167 3.895 -13.571 1.00 71.31 H new ATOM 0 HH22 ARG A 315 15.401 2.684 -13.207 1.00 71.31 H new ATOM 102 N GLN A 316 6.414 3.212 -10.667 1.00 52.31 N ATOM 103 CA GLN A 316 5.537 4.377 -10.653 1.00 0.34 C ATOM 104 C GLN A 316 5.346 4.897 -9.232 1.00 3.34 C ATOM 105 O GLN A 316 5.253 6.104 -9.009 1.00 51.02 O ATOM 106 CB GLN A 316 4.180 4.029 -11.267 1.00 64.31 C ATOM 107 CG GLN A 316 3.509 2.829 -10.619 1.00 21.42 C ATOM 108 CD GLN A 316 2.180 2.485 -11.262 1.00 11.41 C ATOM 109 OE1 GLN A 316 1.993 2.671 -12.465 1.00 13.13 O ATOM 110 NE2 GLN A 316 1.248 1.981 -10.462 1.00 14.31 N ATOM 0 H GLN A 316 6.024 2.396 -11.138 1.00 52.31 H new ATOM 0 HA GLN A 316 6.007 5.160 -11.248 1.00 0.34 H new ATOM 0 HB2 GLN A 316 3.520 4.893 -11.183 1.00 64.31 H new ATOM 0 HB3 GLN A 316 4.312 3.831 -12.331 1.00 64.31 H new ATOM 0 HG2 GLN A 316 4.173 1.967 -10.684 1.00 21.42 H new ATOM 0 HG3 GLN A 316 3.354 3.033 -9.560 1.00 21.42 H new ATOM 0 HE21 GLN A 316 1.446 1.844 -9.471 1.00 14.31 H new ATOM 0 HE22 GLN A 316 0.334 1.731 -10.838 1.00 14.31 H new ATOM 119 N ALA A 317 5.289 3.978 -8.273 1.00 51.42 N ATOM 120 CA ALA A 317 5.111 4.344 -6.874 1.00 10.44 C ATOM 121 C ALA A 317 6.352 5.042 -6.327 1.00 14.15 C ATOM 122 O ALA A 317 6.259 5.885 -5.435 1.00 32.35 O ATOM 123 CB ALA A 317 4.787 3.112 -6.043 1.00 31.42 C ATOM 0 H ALA A 317 5.364 2.975 -8.440 1.00 51.42 H new ATOM 0 HA ALA A 317 4.276 5.041 -6.810 1.00 10.44 H new ATOM 0 HB1 ALA A 317 4.657 3.401 -5.000 1.00 31.42 H new ATOM 0 HB2 ALA A 317 3.868 2.656 -6.411 1.00 31.42 H new ATOM 0 HB3 ALA A 317 5.604 2.395 -6.122 1.00 31.42 H new ATOM 129 N ALA A 318 7.512 4.685 -6.867 1.00 22.04 N ATOM 130 CA ALA A 318 8.771 5.278 -6.433 1.00 42.12 C ATOM 131 C ALA A 318 8.980 6.648 -7.069 1.00 44.04 C ATOM 132 O ALA A 318 9.584 7.536 -6.468 1.00 51.34 O ATOM 133 CB ALA A 318 9.933 4.355 -6.769 1.00 71.25 C ATOM 0 H ALA A 318 7.606 3.988 -7.606 1.00 22.04 H new ATOM 0 HA ALA A 318 8.728 5.411 -5.352 1.00 42.12 H new ATOM 0 HB1 ALA A 318 10.867 4.811 -6.439 1.00 71.25 H new ATOM 0 HB2 ALA A 318 9.797 3.399 -6.263 1.00 71.25 H new ATOM 0 HB3 ALA A 318 9.969 4.193 -7.846 1.00 71.25 H new ATOM 139 N ALA A 319 8.478 6.812 -8.289 1.00 25.10 N ATOM 140 CA ALA A 319 8.610 8.074 -9.006 1.00 15.22 C ATOM 141 C ALA A 319 7.532 9.064 -8.576 1.00 3.23 C ATOM 142 O ALA A 319 7.810 10.245 -8.369 1.00 13.20 O ATOM 143 CB ALA A 319 8.543 7.838 -10.507 1.00 72.14 C ATOM 0 H ALA A 319 7.976 6.086 -8.801 1.00 25.10 H new ATOM 0 HA ALA A 319 9.581 8.504 -8.760 1.00 15.22 H new ATOM 0 HB1 ALA A 319 8.643 8.789 -11.030 1.00 72.14 H new ATOM 0 HB2 ALA A 319 9.352 7.172 -10.807 1.00 72.14 H new ATOM 0 HB3 ALA A 319 7.586 7.383 -10.761 1.00 72.14 H new ATOM 149 N GLN A 320 6.304 8.574 -8.444 1.00 12.51 N ATOM 150 CA GLN A 320 5.185 9.418 -8.040 1.00 21.12 C ATOM 151 C GLN A 320 5.520 10.196 -6.772 1.00 5.40 C ATOM 152 O GLN A 320 5.054 11.319 -6.581 1.00 5.02 O ATOM 153 CB GLN A 320 3.933 8.568 -7.814 1.00 65.24 C ATOM 154 CG GLN A 320 3.959 7.779 -6.515 1.00 45.30 C ATOM 155 CD GLN A 320 3.273 8.508 -5.377 1.00 35.54 C ATOM 156 OE1 GLN A 320 3.887 9.318 -4.682 1.00 52.15 O ATOM 157 NE2 GLN A 320 1.991 8.222 -5.179 1.00 11.13 N ATOM 0 H GLN A 320 6.058 7.598 -8.611 1.00 12.51 H new ATOM 0 HA GLN A 320 4.992 10.131 -8.842 1.00 21.12 H new ATOM 0 HB2 GLN A 320 3.058 9.218 -7.817 1.00 65.24 H new ATOM 0 HB3 GLN A 320 3.819 7.875 -8.648 1.00 65.24 H new ATOM 0 HG2 GLN A 320 3.473 6.815 -6.670 1.00 45.30 H new ATOM 0 HG3 GLN A 320 4.993 7.574 -6.239 1.00 45.30 H new ATOM 0 HE21 GLN A 320 1.521 7.544 -5.779 1.00 11.13 H new ATOM 0 HE22 GLN A 320 1.476 8.680 -4.427 1.00 11.13 H new ATOM 166 N GLU A 321 6.331 9.592 -5.909 1.00 61.31 N ATOM 167 CA GLU A 321 6.727 10.229 -4.659 1.00 2.12 C ATOM 168 C GLU A 321 7.796 11.291 -4.904 1.00 32.51 C ATOM 169 O GLU A 321 7.812 12.332 -4.248 1.00 60.34 O ATOM 170 CB GLU A 321 7.248 9.184 -3.670 1.00 64.34 C ATOM 171 CG GLU A 321 7.579 9.753 -2.301 1.00 25.30 C ATOM 172 CD GLU A 321 8.973 10.347 -2.237 1.00 62.34 C ATOM 173 OE1 GLU A 321 9.847 9.891 -3.005 1.00 10.41 O ATOM 174 OE2 GLU A 321 9.190 11.266 -1.421 1.00 2.11 O ATOM 0 H GLU A 321 6.726 8.663 -6.053 1.00 61.31 H new ATOM 0 HA GLU A 321 5.848 10.714 -4.234 1.00 2.12 H new ATOM 0 HB2 GLU A 321 6.500 8.399 -3.557 1.00 64.34 H new ATOM 0 HB3 GLU A 321 8.141 8.716 -4.085 1.00 64.34 H new ATOM 0 HG2 GLU A 321 6.849 10.521 -2.045 1.00 25.30 H new ATOM 0 HG3 GLU A 321 7.489 8.965 -1.553 1.00 25.30 H new ATOM 181 N GLU A 322 8.687 11.017 -5.852 1.00 54.20 N ATOM 182 CA GLU A 322 9.759 11.948 -6.182 1.00 64.05 C ATOM 183 C GLU A 322 9.209 13.184 -6.888 1.00 62.14 C ATOM 184 O GLU A 322 9.612 14.310 -6.596 1.00 23.20 O ATOM 185 CB GLU A 322 10.803 11.264 -7.068 1.00 4.03 C ATOM 186 CG GLU A 322 11.835 10.466 -6.287 1.00 54.32 C ATOM 187 CD GLU A 322 12.961 11.331 -5.755 1.00 15.31 C ATOM 188 OE1 GLU A 322 13.820 10.799 -5.022 1.00 4.53 O ATOM 189 OE2 GLU A 322 12.982 12.539 -6.071 1.00 11.00 O ATOM 0 H GLU A 322 8.687 10.159 -6.404 1.00 54.20 H new ATOM 0 HA GLU A 322 10.231 12.263 -5.251 1.00 64.05 H new ATOM 0 HB2 GLU A 322 10.295 10.599 -7.767 1.00 4.03 H new ATOM 0 HB3 GLU A 322 11.315 12.021 -7.662 1.00 4.03 H new ATOM 0 HG2 GLU A 322 11.345 9.962 -5.454 1.00 54.32 H new ATOM 0 HG3 GLU A 322 12.251 9.690 -6.929 1.00 54.32 H new ATOM 196 N ARG A 323 8.286 12.965 -7.819 1.00 64.34 N ATOM 197 CA ARG A 323 7.682 14.060 -8.569 1.00 31.54 C ATOM 198 C ARG A 323 6.772 14.894 -7.672 1.00 54.25 C ATOM 199 O ARG A 323 6.691 16.115 -7.816 1.00 23.04 O ATOM 200 CB ARG A 323 6.886 13.515 -9.756 1.00 60.21 C ATOM 201 CG ARG A 323 5.676 12.688 -9.351 1.00 4.50 C ATOM 202 CD ARG A 323 4.939 12.147 -10.566 1.00 4.01 C ATOM 203 NE ARG A 323 4.175 13.186 -11.251 1.00 4.42 N ATOM 204 CZ ARG A 323 3.182 12.932 -12.095 1.00 14.42 C ATOM 205 NH1 ARG A 323 2.833 11.680 -12.356 1.00 42.22 N ATOM 206 NH2 ARG A 323 2.534 13.932 -12.679 1.00 12.30 N ATOM 0 H ARG A 323 7.940 12.039 -8.072 1.00 64.34 H new ATOM 0 HA ARG A 323 8.483 14.699 -8.941 1.00 31.54 H new ATOM 0 HB2 ARG A 323 6.555 14.349 -10.374 1.00 60.21 H new ATOM 0 HB3 ARG A 323 7.544 12.903 -10.373 1.00 60.21 H new ATOM 0 HG2 ARG A 323 5.995 11.859 -8.719 1.00 4.50 H new ATOM 0 HG3 ARG A 323 4.998 13.300 -8.756 1.00 4.50 H new ATOM 0 HD2 ARG A 323 5.657 11.708 -11.259 1.00 4.01 H new ATOM 0 HD3 ARG A 323 4.266 11.348 -10.255 1.00 4.01 H new ATOM 0 HE ARG A 323 4.417 14.160 -11.071 1.00 4.42 H new ATOM 0 HH11 ARG A 323 3.328 10.909 -11.908 1.00 42.22 H new ATOM 0 HH12 ARG A 323 2.070 11.488 -13.005 1.00 42.22 H new ATOM 0 HH21 ARG A 323 2.799 14.897 -12.480 1.00 12.30 H new ATOM 0 HH22 ARG A 323 1.771 13.736 -13.327 1.00 12.30 H new ATOM 220 N LEU A 324 6.087 14.228 -6.749 1.00 43.20 N ATOM 221 CA LEU A 324 5.182 14.908 -5.829 1.00 72.12 C ATOM 222 C LEU A 324 5.883 16.071 -5.135 1.00 10.11 C ATOM 223 O LEU A 324 5.308 17.147 -4.972 1.00 22.13 O ATOM 224 CB LEU A 324 4.648 13.924 -4.787 1.00 25.42 C ATOM 225 CG LEU A 324 3.136 13.699 -4.788 1.00 30.12 C ATOM 226 CD1 LEU A 324 2.701 13.001 -6.067 1.00 51.32 C ATOM 227 CD2 LEU A 324 2.716 12.891 -3.568 1.00 50.34 C ATOM 0 H LEU A 324 6.141 13.218 -6.618 1.00 43.20 H new ATOM 0 HA LEU A 324 4.347 15.304 -6.407 1.00 72.12 H new ATOM 0 HB2 LEU A 324 5.138 12.963 -4.940 1.00 25.42 H new ATOM 0 HB3 LEU A 324 4.942 14.278 -3.799 1.00 25.42 H new ATOM 0 HG LEU A 324 2.644 14.670 -4.743 1.00 30.12 H new ATOM 0 HD11 LEU A 324 1.622 12.849 -6.050 1.00 51.32 H new ATOM 0 HD12 LEU A 324 2.967 13.617 -6.926 1.00 51.32 H new ATOM 0 HD13 LEU A 324 3.202 12.036 -6.143 1.00 51.32 H new ATOM 0 HD21 LEU A 324 1.637 12.741 -3.585 1.00 50.34 H new ATOM 0 HD22 LEU A 324 3.218 11.923 -3.582 1.00 50.34 H new ATOM 0 HD23 LEU A 324 2.993 13.430 -2.662 1.00 50.34 H new ATOM 239 N ALA A 325 7.129 15.848 -4.730 1.00 70.33 N ATOM 240 CA ALA A 325 7.910 16.878 -4.058 1.00 2.32 C ATOM 241 C ALA A 325 8.269 18.008 -5.017 1.00 11.54 C ATOM 242 O ALA A 325 8.262 19.181 -4.640 1.00 72.41 O ATOM 243 CB ALA A 325 9.170 16.276 -3.454 1.00 61.21 C ATOM 0 H ALA A 325 7.619 14.962 -4.856 1.00 70.33 H new ATOM 0 HA ALA A 325 7.300 17.296 -3.257 1.00 2.32 H new ATOM 0 HB1 ALA A 325 9.744 17.057 -2.955 1.00 61.21 H new ATOM 0 HB2 ALA A 325 8.896 15.509 -2.730 1.00 61.21 H new ATOM 0 HB3 ALA A 325 9.775 15.830 -4.244 1.00 61.21 H new ATOM 249 N ASP A 326 8.583 17.649 -6.256 1.00 72.13 N ATOM 250 CA ASP A 326 8.944 18.633 -7.270 1.00 3.33 C ATOM 251 C ASP A 326 7.787 19.592 -7.533 1.00 43.10 C ATOM 252 O ASP A 326 7.951 20.811 -7.470 1.00 14.32 O ATOM 253 CB ASP A 326 9.350 17.935 -8.568 1.00 74.44 C ATOM 254 CG ASP A 326 10.225 18.807 -9.447 1.00 13.24 C ATOM 255 OD1 ASP A 326 9.787 19.922 -9.800 1.00 54.21 O ATOM 256 OD2 ASP A 326 11.348 18.376 -9.780 1.00 30.43 O ATOM 0 H ASP A 326 8.595 16.683 -6.583 1.00 72.13 H new ATOM 0 HA ASP A 326 9.791 19.208 -6.897 1.00 3.33 H new ATOM 0 HB2 ASP A 326 9.883 17.014 -8.330 1.00 74.44 H new ATOM 0 HB3 ASP A 326 8.454 17.652 -9.120 1.00 74.44 H new ATOM 261 N LEU A 327 6.619 19.034 -7.829 1.00 71.34 N ATOM 262 CA LEU A 327 5.434 19.839 -8.104 1.00 12.03 C ATOM 263 C LEU A 327 4.990 20.598 -6.857 1.00 24.41 C ATOM 264 O LEU A 327 4.582 21.756 -6.935 1.00 62.14 O ATOM 265 CB LEU A 327 4.294 18.951 -8.606 1.00 65.52 C ATOM 266 CG LEU A 327 3.300 19.611 -9.562 1.00 31.32 C ATOM 267 CD1 LEU A 327 2.581 20.761 -8.873 1.00 61.44 C ATOM 268 CD2 LEU A 327 4.009 20.098 -10.817 1.00 23.21 C ATOM 0 H LEU A 327 6.467 18.027 -7.885 1.00 71.34 H new ATOM 0 HA LEU A 327 5.689 20.564 -8.877 1.00 12.03 H new ATOM 0 HB2 LEU A 327 4.728 18.085 -9.106 1.00 65.52 H new ATOM 0 HB3 LEU A 327 3.744 18.578 -7.742 1.00 65.52 H new ATOM 0 HG LEU A 327 2.558 18.868 -9.854 1.00 31.32 H new ATOM 0 HD11 LEU A 327 1.878 21.219 -9.568 1.00 61.44 H new ATOM 0 HD12 LEU A 327 2.040 20.384 -8.005 1.00 61.44 H new ATOM 0 HD13 LEU A 327 3.310 21.505 -8.551 1.00 61.44 H new ATOM 0 HD21 LEU A 327 3.286 20.565 -11.486 1.00 23.21 H new ATOM 0 HD22 LEU A 327 4.773 20.826 -10.544 1.00 23.21 H new ATOM 0 HD23 LEU A 327 4.477 19.253 -11.322 1.00 23.21 H new ATOM 280 N ALA A 328 5.076 19.937 -5.707 1.00 35.20 N ATOM 281 CA ALA A 328 4.687 20.550 -4.443 1.00 2.10 C ATOM 282 C ALA A 328 5.521 21.795 -4.158 1.00 30.44 C ATOM 283 O ALA A 328 5.000 22.811 -3.699 1.00 34.02 O ATOM 284 CB ALA A 328 4.825 19.548 -3.306 1.00 53.31 C ATOM 0 H ALA A 328 5.412 18.977 -5.625 1.00 35.20 H new ATOM 0 HA ALA A 328 3.643 20.853 -4.520 1.00 2.10 H new ATOM 0 HB1 ALA A 328 4.531 20.019 -2.368 1.00 53.31 H new ATOM 0 HB2 ALA A 328 4.182 18.689 -3.498 1.00 53.31 H new ATOM 0 HB3 ALA A 328 5.861 19.217 -3.237 1.00 53.31 H new ATOM 290 N SER A 329 6.819 21.708 -4.431 1.00 73.54 N ATOM 291 CA SER A 329 7.726 22.826 -4.200 1.00 34.44 C ATOM 292 C SER A 329 7.556 23.894 -5.275 1.00 45.32 C ATOM 293 O SER A 329 7.651 25.090 -4.998 1.00 54.10 O ATOM 294 CB SER A 329 9.175 22.337 -4.174 1.00 2.14 C ATOM 295 OG SER A 329 10.066 23.398 -3.874 1.00 54.12 O ATOM 0 H SER A 329 7.266 20.874 -4.813 1.00 73.54 H new ATOM 0 HA SER A 329 7.482 23.267 -3.233 1.00 34.44 H new ATOM 0 HB2 SER A 329 9.282 21.547 -3.431 1.00 2.14 H new ATOM 0 HB3 SER A 329 9.433 21.903 -5.140 1.00 2.14 H new ATOM 0 HG SER A 329 10.986 23.059 -3.862 1.00 54.12 H new ATOM 301 N ASP A 330 7.306 23.454 -6.503 1.00 64.03 N ATOM 302 CA ASP A 330 7.123 24.371 -7.622 1.00 13.41 C ATOM 303 C ASP A 330 6.056 25.414 -7.301 1.00 21.45 C ATOM 304 O ASP A 330 6.324 26.616 -7.314 1.00 35.11 O ATOM 305 CB ASP A 330 6.735 23.599 -8.884 1.00 42.41 C ATOM 306 CG ASP A 330 6.772 24.466 -10.127 1.00 52.42 C ATOM 307 OD1 ASP A 330 6.097 25.517 -10.138 1.00 54.23 O ATOM 308 OD2 ASP A 330 7.476 24.095 -11.089 1.00 23.33 O ATOM 0 H ASP A 330 7.225 22.467 -6.749 1.00 64.03 H new ATOM 0 HA ASP A 330 8.068 24.885 -7.796 1.00 13.41 H new ATOM 0 HB2 ASP A 330 7.413 22.755 -9.013 1.00 42.41 H new ATOM 0 HB3 ASP A 330 5.733 23.188 -8.761 1.00 42.41 H new ATOM 313 N LEU A 331 4.847 24.945 -7.013 1.00 54.30 N ATOM 314 CA LEU A 331 3.738 25.837 -6.689 1.00 22.30 C ATOM 315 C LEU A 331 4.009 26.593 -5.392 1.00 73.12 C ATOM 316 O LEU A 331 3.657 27.766 -5.260 1.00 31.01 O ATOM 317 CB LEU A 331 2.437 25.041 -6.567 1.00 42.41 C ATOM 318 CG LEU A 331 2.318 24.133 -5.343 1.00 62.20 C ATOM 319 CD1 LEU A 331 1.708 24.890 -4.173 1.00 64.15 C ATOM 320 CD2 LEU A 331 1.490 22.900 -5.673 1.00 34.33 C ATOM 0 H LEU A 331 4.609 23.953 -6.997 1.00 54.30 H new ATOM 0 HA LEU A 331 3.639 26.562 -7.497 1.00 22.30 H new ATOM 0 HB2 LEU A 331 1.604 25.744 -6.555 1.00 42.41 H new ATOM 0 HB3 LEU A 331 2.324 24.428 -7.461 1.00 42.41 H new ATOM 0 HG LEU A 331 3.318 23.809 -5.056 1.00 62.20 H new ATOM 0 HD11 LEU A 331 1.631 24.227 -3.311 1.00 64.15 H new ATOM 0 HD12 LEU A 331 2.340 25.741 -3.921 1.00 64.15 H new ATOM 0 HD13 LEU A 331 0.715 25.245 -4.447 1.00 64.15 H new ATOM 0 HD21 LEU A 331 1.416 22.265 -4.790 1.00 34.33 H new ATOM 0 HD22 LEU A 331 0.491 23.205 -5.986 1.00 34.33 H new ATOM 0 HD23 LEU A 331 1.969 22.345 -6.480 1.00 34.33 H new ATOM 332 N LEU A 332 4.637 25.915 -4.438 1.00 64.04 N ATOM 333 CA LEU A 332 4.958 26.523 -3.152 1.00 10.32 C ATOM 334 C LEU A 332 5.728 27.826 -3.342 1.00 52.32 C ATOM 335 O LEU A 332 5.313 28.881 -2.860 1.00 11.10 O ATOM 336 CB LEU A 332 5.777 25.554 -2.297 1.00 53.21 C ATOM 337 CG LEU A 332 6.169 26.053 -0.906 1.00 11.01 C ATOM 338 CD1 LEU A 332 4.953 26.101 0.006 1.00 21.14 C ATOM 339 CD2 LEU A 332 7.252 25.168 -0.308 1.00 23.44 C ATOM 0 H LEU A 332 4.934 24.944 -4.531 1.00 64.04 H new ATOM 0 HA LEU A 332 4.022 26.747 -2.641 1.00 10.32 H new ATOM 0 HB2 LEU A 332 5.208 24.631 -2.183 1.00 53.21 H new ATOM 0 HB3 LEU A 332 6.688 25.302 -2.841 1.00 53.21 H new ATOM 0 HG LEU A 332 6.566 27.064 -1.002 1.00 11.01 H new ATOM 0 HD11 LEU A 332 5.251 26.458 0.992 1.00 21.14 H new ATOM 0 HD12 LEU A 332 4.209 26.777 -0.415 1.00 21.14 H new ATOM 0 HD13 LEU A 332 4.526 25.102 0.096 1.00 21.14 H new ATOM 0 HD21 LEU A 332 7.519 25.538 0.682 1.00 23.44 H new ATOM 0 HD22 LEU A 332 6.882 24.146 -0.226 1.00 23.44 H new ATOM 0 HD23 LEU A 332 8.132 25.185 -0.951 1.00 23.44 H new ATOM 351 N LEU A 333 6.849 27.747 -4.049 1.00 64.45 N ATOM 352 CA LEU A 333 7.677 28.920 -4.306 1.00 51.33 C ATOM 353 C LEU A 333 6.891 29.985 -5.064 1.00 52.51 C ATOM 354 O LEU A 333 7.064 31.181 -4.830 1.00 44.25 O ATOM 355 CB LEU A 333 8.922 28.526 -5.102 1.00 42.35 C ATOM 356 CG LEU A 333 10.051 27.873 -4.304 1.00 12.43 C ATOM 357 CD1 LEU A 333 11.096 27.285 -5.239 1.00 75.20 C ATOM 358 CD2 LEU A 333 10.687 28.881 -3.357 1.00 53.34 C ATOM 0 H LEU A 333 7.206 26.882 -4.455 1.00 64.45 H new ATOM 0 HA LEU A 333 7.984 29.335 -3.346 1.00 51.33 H new ATOM 0 HB2 LEU A 333 8.620 27.840 -5.894 1.00 42.35 H new ATOM 0 HB3 LEU A 333 9.316 29.419 -5.587 1.00 42.35 H new ATOM 0 HG LEU A 333 9.628 27.063 -3.710 1.00 12.43 H new ATOM 0 HD11 LEU A 333 11.891 26.825 -4.653 1.00 75.20 H new ATOM 0 HD12 LEU A 333 10.632 26.532 -5.875 1.00 75.20 H new ATOM 0 HD13 LEU A 333 11.515 28.077 -5.860 1.00 75.20 H new ATOM 0 HD21 LEU A 333 11.488 28.399 -2.797 1.00 53.34 H new ATOM 0 HD22 LEU A 333 11.095 29.713 -3.931 1.00 53.34 H new ATOM 0 HD23 LEU A 333 9.934 29.254 -2.663 1.00 53.34 H new ATOM 370 N GLN A 334 6.025 29.542 -5.970 1.00 44.32 N ATOM 371 CA GLN A 334 5.212 30.458 -6.761 1.00 13.33 C ATOM 372 C GLN A 334 4.312 31.300 -5.863 1.00 14.44 C ATOM 373 O GLN A 334 4.072 32.477 -6.135 1.00 73.12 O ATOM 374 CB GLN A 334 4.363 29.680 -7.768 1.00 11.31 C ATOM 375 CG GLN A 334 3.460 30.564 -8.613 1.00 74.20 C ATOM 376 CD GLN A 334 3.171 29.968 -9.977 1.00 43.40 C ATOM 377 OE1 GLN A 334 2.068 29.488 -10.237 1.00 32.43 O ATOM 378 NE2 GLN A 334 4.165 29.997 -10.858 1.00 15.31 N ATOM 0 H GLN A 334 5.869 28.555 -6.174 1.00 44.32 H new ATOM 0 HA GLN A 334 5.883 31.126 -7.301 1.00 13.33 H new ATOM 0 HB2 GLN A 334 5.022 29.114 -8.426 1.00 11.31 H new ATOM 0 HB3 GLN A 334 3.750 28.956 -7.231 1.00 11.31 H new ATOM 0 HG2 GLN A 334 2.520 30.727 -8.085 1.00 74.20 H new ATOM 0 HG3 GLN A 334 3.928 31.540 -8.739 1.00 74.20 H new ATOM 0 HE21 GLN A 334 5.064 30.405 -10.600 1.00 15.31 H new ATOM 0 HE22 GLN A 334 4.030 29.611 -11.793 1.00 15.31 H new ATOM 387 N TYR A 335 3.816 30.691 -4.792 1.00 21.35 N ATOM 388 CA TYR A 335 2.940 31.384 -3.854 1.00 70.35 C ATOM 389 C TYR A 335 3.571 32.691 -3.384 1.00 34.22 C ATOM 390 O TYR A 335 2.892 33.710 -3.254 1.00 14.24 O ATOM 391 CB TYR A 335 2.635 30.489 -2.652 1.00 4.34 C ATOM 392 CG TYR A 335 1.510 31.005 -1.783 1.00 62.22 C ATOM 393 CD1 TYR A 335 1.708 32.075 -0.919 1.00 30.32 C ATOM 394 CD2 TYR A 335 0.250 30.422 -1.826 1.00 71.20 C ATOM 395 CE1 TYR A 335 0.683 32.549 -0.123 1.00 22.22 C ATOM 396 CE2 TYR A 335 -0.781 30.890 -1.035 1.00 11.21 C ATOM 397 CZ TYR A 335 -0.560 31.954 -0.185 1.00 24.42 C ATOM 398 OH TYR A 335 -1.584 32.422 0.606 1.00 44.21 O ATOM 0 H TYR A 335 4.006 29.718 -4.551 1.00 21.35 H new ATOM 0 HA TYR A 335 2.008 31.617 -4.370 1.00 70.35 H new ATOM 0 HB2 TYR A 335 2.379 29.491 -3.008 1.00 4.34 H new ATOM 0 HB3 TYR A 335 3.535 30.390 -2.046 1.00 4.34 H new ATOM 0 HD1 TYR A 335 2.680 32.544 -0.869 1.00 30.32 H new ATOM 0 HD2 TYR A 335 0.073 29.588 -2.489 1.00 71.20 H new ATOM 0 HE1 TYR A 335 0.854 33.381 0.544 1.00 22.22 H new ATOM 0 HE2 TYR A 335 -1.755 30.426 -1.082 1.00 11.21 H new ATOM 0 HH TYR A 335 -2.393 31.894 0.440 1.00 44.21 H new ATOM 408 N LEU A 336 4.874 32.653 -3.131 1.00 1.45 N ATOM 409 CA LEU A 336 5.599 33.834 -2.675 1.00 2.32 C ATOM 410 C LEU A 336 6.138 34.633 -3.858 1.00 33.24 C ATOM 411 O LEU A 336 6.026 35.859 -3.895 1.00 63.00 O ATOM 412 CB LEU A 336 6.750 33.426 -1.754 1.00 3.33 C ATOM 413 CG LEU A 336 6.367 32.599 -0.526 1.00 51.40 C ATOM 414 CD1 LEU A 336 6.360 31.116 -0.862 1.00 54.35 C ATOM 415 CD2 LEU A 336 7.320 32.882 0.626 1.00 12.12 C ATOM 0 H LEU A 336 5.450 31.818 -3.234 1.00 1.45 H new ATOM 0 HA LEU A 336 4.904 34.465 -2.121 1.00 2.32 H new ATOM 0 HB2 LEU A 336 7.473 32.857 -2.339 1.00 3.33 H new ATOM 0 HB3 LEU A 336 7.255 34.330 -1.415 1.00 3.33 H new ATOM 0 HG LEU A 336 5.361 32.886 -0.218 1.00 51.40 H new ATOM 0 HD11 LEU A 336 6.085 30.544 0.024 1.00 54.35 H new ATOM 0 HD12 LEU A 336 5.637 30.926 -1.655 1.00 54.35 H new ATOM 0 HD13 LEU A 336 7.353 30.814 -1.196 1.00 54.35 H new ATOM 0 HD21 LEU A 336 7.032 32.285 1.491 1.00 12.12 H new ATOM 0 HD22 LEU A 336 8.337 32.624 0.329 1.00 12.12 H new ATOM 0 HD23 LEU A 336 7.275 33.940 0.884 1.00 12.12 H new ATOM 427 N LEU A 337 6.720 33.930 -4.823 1.00 52.20 N ATOM 428 CA LEU A 337 7.274 34.573 -6.010 1.00 11.05 C ATOM 429 C LEU A 337 6.244 35.488 -6.664 1.00 41.31 C ATOM 430 O LEU A 337 6.586 36.551 -7.183 1.00 34.24 O ATOM 431 CB LEU A 337 7.746 33.518 -7.012 1.00 12.22 C ATOM 432 CG LEU A 337 8.795 33.977 -8.025 1.00 53.14 C ATOM 433 CD1 LEU A 337 9.606 32.793 -8.528 1.00 33.33 C ATOM 434 CD2 LEU A 337 8.132 34.703 -9.187 1.00 1.20 C ATOM 0 H LEU A 337 6.821 32.915 -4.807 1.00 52.20 H new ATOM 0 HA LEU A 337 8.126 35.178 -5.701 1.00 11.05 H new ATOM 0 HB2 LEU A 337 8.152 32.673 -6.456 1.00 12.22 H new ATOM 0 HB3 LEU A 337 6.878 33.151 -7.559 1.00 12.22 H new ATOM 0 HG LEU A 337 9.473 34.671 -7.528 1.00 53.14 H new ATOM 0 HD11 LEU A 337 10.347 33.139 -9.248 1.00 33.33 H new ATOM 0 HD12 LEU A 337 10.111 32.315 -7.689 1.00 33.33 H new ATOM 0 HD13 LEU A 337 8.942 32.075 -9.008 1.00 33.33 H new ATOM 0 HD21 LEU A 337 8.893 35.023 -9.898 1.00 1.20 H new ATOM 0 HD22 LEU A 337 7.431 34.032 -9.683 1.00 1.20 H new ATOM 0 HD23 LEU A 337 7.596 35.575 -8.813 1.00 1.20 H new ATOM 446 N GLN A 338 4.983 35.069 -6.634 1.00 23.11 N ATOM 447 CA GLN A 338 3.904 35.852 -7.223 1.00 51.22 C ATOM 448 C GLN A 338 3.652 37.123 -6.419 1.00 15.04 C ATOM 449 O GLN A 338 3.364 38.179 -6.981 1.00 23.11 O ATOM 450 CB GLN A 338 2.623 35.019 -7.298 1.00 41.34 C ATOM 451 CG GLN A 338 1.633 35.518 -8.339 1.00 65.31 C ATOM 452 CD GLN A 338 0.490 34.549 -8.569 1.00 24.43 C ATOM 453 OE1 GLN A 338 -0.677 34.891 -8.378 1.00 2.12 O ATOM 454 NE2 GLN A 338 0.821 33.330 -8.981 1.00 14.30 N ATOM 0 H GLN A 338 4.684 34.192 -6.208 1.00 23.11 H new ATOM 0 HA GLN A 338 4.204 36.136 -8.232 1.00 51.22 H new ATOM 0 HB2 GLN A 338 2.884 33.985 -7.523 1.00 41.34 H new ATOM 0 HB3 GLN A 338 2.141 35.020 -6.320 1.00 41.34 H new ATOM 0 HG2 GLN A 338 1.231 36.480 -8.021 1.00 65.31 H new ATOM 0 HG3 GLN A 338 2.156 35.687 -9.280 1.00 65.31 H new ATOM 0 HE21 GLN A 338 1.802 33.090 -9.127 1.00 14.30 H new ATOM 0 HE22 GLN A 338 0.095 32.635 -9.152 1.00 14.30 H new ATOM 463 N GLY A 339 3.761 37.013 -5.098 1.00 15.10 N ATOM 464 CA GLY A 339 3.540 38.161 -4.237 1.00 64.24 C ATOM 465 C GLY A 339 4.715 39.118 -4.236 1.00 44.54 C ATOM 466 O GLY A 339 4.538 40.329 -4.110 1.00 2.34 O ATOM 0 H GLY A 339 3.998 36.150 -4.609 1.00 15.10 H new ATOM 0 HA2 GLY A 339 2.645 38.690 -4.564 1.00 64.24 H new ATOM 0 HA3 GLY A 339 3.354 37.818 -3.219 1.00 64.24 H new ATOM 470 N GLY A 340 5.921 38.575 -4.377 1.00 34.43 N ATOM 471 CA GLY A 340 7.112 39.403 -4.387 1.00 11.41 C ATOM 472 C GLY A 340 7.401 39.986 -5.756 1.00 64.52 C ATOM 473 O GLY A 340 7.913 41.099 -5.869 1.00 62.11 O ATOM 0 H GLY A 340 6.094 37.575 -4.485 1.00 34.43 H new ATOM 0 HA2 GLY A 340 6.993 40.214 -3.668 1.00 11.41 H new ATOM 0 HA3 GLY A 340 7.966 38.810 -4.060 1.00 11.41 H new ATOM 477 N ALA A 341 7.075 39.230 -6.800 1.00 13.22 N ATOM 478 CA ALA A 341 7.303 39.678 -8.168 1.00 75.00 C ATOM 479 C ALA A 341 6.711 41.065 -8.397 1.00 62.35 C ATOM 480 O ALA A 341 7.410 41.986 -8.820 1.00 23.20 O ATOM 481 CB ALA A 341 6.713 38.681 -9.155 1.00 21.13 C ATOM 0 H ALA A 341 6.652 38.305 -6.724 1.00 13.22 H new ATOM 0 HA ALA A 341 8.379 39.739 -8.330 1.00 75.00 H new ATOM 0 HB1 ALA A 341 6.891 39.028 -10.173 1.00 21.13 H new ATOM 0 HB2 ALA A 341 7.185 37.708 -9.016 1.00 21.13 H new ATOM 0 HB3 ALA A 341 5.640 38.591 -8.984 1.00 21.13 H new ATOM 487 N ARG A 342 5.420 41.206 -8.117 1.00 52.01 N ATOM 488 CA ARG A 342 4.734 42.480 -8.295 1.00 44.40 C ATOM 489 C ARG A 342 5.486 43.605 -7.589 1.00 51.20 C ATOM 490 O ARG A 342 5.540 44.732 -8.081 1.00 63.22 O ATOM 491 CB ARG A 342 3.304 42.394 -7.759 1.00 61.44 C ATOM 492 CG ARG A 342 3.227 42.030 -6.286 1.00 14.34 C ATOM 493 CD ARG A 342 2.149 40.990 -6.024 1.00 73.02 C ATOM 494 NE ARG A 342 0.806 41.548 -6.158 1.00 33.11 N ATOM 495 CZ ARG A 342 0.206 42.255 -5.207 1.00 54.21 C ATOM 496 NH1 ARG A 342 0.826 42.490 -4.059 1.00 45.13 N ATOM 497 NH2 ARG A 342 -1.018 42.730 -5.404 1.00 22.34 N ATOM 0 H ARG A 342 4.828 40.454 -7.766 1.00 52.01 H new ATOM 0 HA ARG A 342 4.702 42.700 -9.362 1.00 44.40 H new ATOM 0 HB2 ARG A 342 2.809 43.352 -7.914 1.00 61.44 H new ATOM 0 HB3 ARG A 342 2.752 41.653 -8.337 1.00 61.44 H new ATOM 0 HG2 ARG A 342 4.192 41.647 -5.954 1.00 14.34 H new ATOM 0 HG3 ARG A 342 3.021 42.925 -5.699 1.00 14.34 H new ATOM 0 HD2 ARG A 342 2.268 40.161 -6.721 1.00 73.02 H new ATOM 0 HD3 ARG A 342 2.274 40.583 -5.021 1.00 73.02 H new ATOM 0 HE ARG A 342 0.301 41.386 -7.029 1.00 33.11 H new ATOM 0 HH11 ARG A 342 1.767 42.128 -3.904 1.00 45.13 H new ATOM 0 HH12 ARG A 342 0.362 43.033 -3.331 1.00 45.13 H new ATOM 0 HH21 ARG A 342 -1.498 42.552 -6.286 1.00 22.34 H new ATOM 0 HH22 ARG A 342 -1.478 43.273 -4.673 1.00 22.34 H new ATOM 511 N GLN A 343 6.063 43.290 -6.434 1.00 12.43 N ATOM 512 CA GLN A 343 6.810 44.275 -5.660 1.00 53.21 C ATOM 513 C GLN A 343 8.156 44.572 -6.312 1.00 22.11 C ATOM 514 O GLN A 343 8.612 45.716 -6.325 1.00 31.52 O ATOM 515 CB GLN A 343 7.021 43.777 -4.229 1.00 50.13 C ATOM 516 CG GLN A 343 5.898 44.161 -3.280 1.00 34.54 C ATOM 517 CD GLN A 343 6.119 45.512 -2.629 1.00 52.15 C ATOM 518 OE1 GLN A 343 6.505 46.476 -3.291 1.00 1.22 O ATOM 519 NE2 GLN A 343 5.874 45.590 -1.327 1.00 22.34 N ATOM 0 H GLN A 343 6.028 42.361 -6.014 1.00 12.43 H new ATOM 0 HA GLN A 343 6.229 45.197 -5.634 1.00 53.21 H new ATOM 0 HB2 GLN A 343 7.120 42.692 -4.242 1.00 50.13 H new ATOM 0 HB3 GLN A 343 7.960 44.178 -3.848 1.00 50.13 H new ATOM 0 HG2 GLN A 343 4.955 44.175 -3.826 1.00 34.54 H new ATOM 0 HG3 GLN A 343 5.806 43.400 -2.505 1.00 34.54 H new ATOM 0 HE21 GLN A 343 5.555 44.766 -0.818 1.00 22.34 H new ATOM 0 HE22 GLN A 343 6.004 46.474 -0.836 1.00 22.34 H new ATOM 528 N ARG A 344 8.788 43.535 -6.852 1.00 22.25 N ATOM 529 CA ARG A 344 10.084 43.684 -7.504 1.00 15.44 C ATOM 530 C ARG A 344 9.971 44.572 -8.740 1.00 34.22 C ATOM 531 O ARG A 344 10.836 45.407 -8.998 1.00 12.52 O ATOM 532 CB ARG A 344 10.643 42.315 -7.895 1.00 14.31 C ATOM 533 CG ARG A 344 11.136 41.498 -6.712 1.00 13.10 C ATOM 534 CD ARG A 344 12.488 41.990 -6.220 1.00 61.22 C ATOM 535 NE ARG A 344 13.551 41.725 -7.186 1.00 21.20 N ATOM 536 CZ ARG A 344 14.816 42.087 -7.004 1.00 62.31 C ATOM 537 NH1 ARG A 344 15.174 42.725 -5.899 1.00 22.15 N ATOM 538 NH2 ARG A 344 15.726 41.810 -7.929 1.00 63.22 N ATOM 0 H ARG A 344 8.424 42.582 -6.851 1.00 22.25 H new ATOM 0 HA ARG A 344 10.766 44.158 -6.798 1.00 15.44 H new ATOM 0 HB2 ARG A 344 9.870 41.752 -8.418 1.00 14.31 H new ATOM 0 HB3 ARG A 344 11.465 42.455 -8.597 1.00 14.31 H new ATOM 0 HG2 ARG A 344 10.410 41.555 -5.901 1.00 13.10 H new ATOM 0 HG3 ARG A 344 11.212 40.449 -6.999 1.00 13.10 H new ATOM 0 HD2 ARG A 344 12.435 43.061 -6.024 1.00 61.22 H new ATOM 0 HD3 ARG A 344 12.728 41.505 -5.274 1.00 61.22 H new ATOM 0 HE ARG A 344 13.309 41.235 -8.047 1.00 21.20 H new ATOM 0 HH11 ARG A 344 14.477 42.939 -5.185 1.00 22.15 H new ATOM 0 HH12 ARG A 344 16.146 43.002 -5.762 1.00 22.15 H new ATOM 0 HH21 ARG A 344 15.454 41.319 -8.781 1.00 63.22 H new ATOM 0 HH22 ARG A 344 16.697 42.088 -7.788 1.00 63.22 H new ATOM 552 N GLY A 345 8.897 44.383 -9.502 1.00 2.24 N ATOM 553 CA GLY A 345 8.691 45.173 -10.702 1.00 21.14 C ATOM 554 C GLY A 345 8.763 46.663 -10.434 1.00 50.23 C ATOM 555 O GLY A 345 9.676 47.343 -10.906 1.00 34.11 O ATOM 0 H GLY A 345 8.167 43.697 -9.310 1.00 2.24 H new ATOM 0 HA2 GLY A 345 9.443 44.904 -11.444 1.00 21.14 H new ATOM 0 HA3 GLY A 345 7.719 44.931 -11.131 1.00 21.14 H new ATOM 559 N LEU A 346 7.798 47.174 -9.677 1.00 62.04 N ATOM 560 CA LEU A 346 7.754 48.595 -9.349 1.00 65.32 C ATOM 561 C LEU A 346 8.931 48.985 -8.459 1.00 75.54 C ATOM 562 O LEU A 346 9.479 48.152 -7.738 1.00 42.35 O ATOM 563 CB LEU A 346 6.437 48.937 -8.651 1.00 71.33 C ATOM 564 CG LEU A 346 6.133 48.157 -7.371 1.00 42.14 C ATOM 565 CD1 LEU A 346 6.689 48.886 -6.158 1.00 30.22 C ATOM 566 CD2 LEU A 346 4.635 47.937 -7.224 1.00 13.32 C ATOM 0 H LEU A 346 7.036 46.626 -9.279 1.00 62.04 H new ATOM 0 HA LEU A 346 7.822 49.160 -10.279 1.00 65.32 H new ATOM 0 HB2 LEU A 346 6.441 50.001 -8.412 1.00 71.33 H new ATOM 0 HB3 LEU A 346 5.622 48.772 -9.356 1.00 71.33 H new ATOM 0 HG LEU A 346 6.618 47.183 -7.437 1.00 42.14 H new ATOM 0 HD11 LEU A 346 6.463 48.317 -5.256 1.00 30.22 H new ATOM 0 HD12 LEU A 346 7.769 48.991 -6.260 1.00 30.22 H new ATOM 0 HD13 LEU A 346 6.234 49.874 -6.087 1.00 30.22 H new ATOM 0 HD21 LEU A 346 4.437 47.380 -6.308 1.00 13.32 H new ATOM 0 HD22 LEU A 346 4.128 48.901 -7.180 1.00 13.32 H new ATOM 0 HD23 LEU A 346 4.265 47.372 -8.079 1.00 13.32 H new ATOM 578 N GLY A 347 9.311 50.257 -8.514 1.00 43.33 N ATOM 579 CA GLY A 347 10.418 50.736 -7.707 1.00 65.22 C ATOM 580 C GLY A 347 9.957 51.551 -6.515 1.00 63.31 C ATOM 581 O GLY A 347 10.769 51.969 -5.690 1.00 12.52 O ATOM 0 H GLY A 347 8.872 50.965 -9.103 1.00 43.33 H new ATOM 0 HA2 GLY A 347 11.003 49.886 -7.357 1.00 65.22 H new ATOM 0 HA3 GLY A 347 11.078 51.344 -8.326 1.00 65.22 H new TER 585 GLY A 347