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 38:sc= 0.393 USER MOD Single : A 310 GLN : amide:sc= -0.0147 K(o=-0.015,f=-0.61) USER MOD Single : A 314 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 316 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 320 GLN : amide:sc= -3.83 K(o=-3.8,f=-14!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.02) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.0583 X(o=-0.058,f=0) USER MOD Single : A 343 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 309 0.801 -3.969 -3.178 1.00 40.41 N ATOM 2 CA SER A 309 2.107 -3.466 -3.590 1.00 34.41 C ATOM 3 C SER A 309 2.840 -4.496 -4.445 1.00 13.23 C ATOM 4 O SER A 309 3.332 -5.502 -3.936 1.00 33.52 O ATOM 5 CB SER A 309 2.950 -3.111 -2.364 1.00 31.21 C ATOM 6 OG SER A 309 3.007 -4.195 -1.453 1.00 31.13 O ATOM 0 HA SER A 309 1.952 -2.568 -4.187 1.00 34.41 H new ATOM 0 HB2 SER A 309 3.959 -2.842 -2.678 1.00 31.21 H new ATOM 0 HB3 SER A 309 2.527 -2.237 -1.868 1.00 31.21 H new ATOM 0 HG SER A 309 3.071 -5.037 -1.950 1.00 31.13 H new ATOM 12 N GLN A 310 2.907 -4.235 -5.746 1.00 45.51 N ATOM 13 CA GLN A 310 3.580 -5.138 -6.672 1.00 74.31 C ATOM 14 C GLN A 310 4.703 -4.421 -7.414 1.00 32.31 C ATOM 15 O GLN A 310 4.737 -3.192 -7.470 1.00 22.51 O ATOM 16 CB GLN A 310 2.577 -5.714 -7.674 1.00 21.22 C ATOM 17 CG GLN A 310 1.287 -6.200 -7.033 1.00 2.03 C ATOM 18 CD GLN A 310 1.522 -7.277 -5.992 1.00 3.11 C ATOM 19 OE1 GLN A 310 1.226 -7.091 -4.811 1.00 52.24 O ATOM 20 NE2 GLN A 310 2.058 -8.412 -6.425 1.00 33.20 N ATOM 0 H GLN A 310 2.504 -3.406 -6.183 1.00 45.51 H new ATOM 0 HA GLN A 310 4.015 -5.953 -6.093 1.00 74.31 H new ATOM 0 HB2 GLN A 310 2.339 -4.952 -8.416 1.00 21.22 H new ATOM 0 HB3 GLN A 310 3.043 -6.543 -8.206 1.00 21.22 H new ATOM 0 HG2 GLN A 310 0.776 -5.356 -6.569 1.00 2.03 H new ATOM 0 HG3 GLN A 310 0.624 -6.587 -7.807 1.00 2.03 H new ATOM 0 HE21 GLN A 310 2.288 -8.523 -7.413 1.00 33.20 H new ATOM 0 HE22 GLN A 310 2.240 -9.173 -5.770 1.00 33.20 H new ATOM 29 N ALA A 311 5.620 -5.197 -7.982 1.00 20.53 N ATOM 30 CA ALA A 311 6.744 -4.636 -8.721 1.00 73.44 C ATOM 31 C ALA A 311 6.265 -3.657 -9.787 1.00 51.34 C ATOM 32 O ALA A 311 6.879 -2.613 -10.004 1.00 2.21 O ATOM 33 CB ALA A 311 7.566 -5.748 -9.355 1.00 64.42 C ATOM 0 H ALA A 311 5.606 -6.216 -7.944 1.00 20.53 H new ATOM 0 HA ALA A 311 7.373 -4.089 -8.018 1.00 73.44 H new ATOM 0 HB1 ALA A 311 8.402 -5.315 -9.904 1.00 64.42 H new ATOM 0 HB2 ALA A 311 7.947 -6.409 -8.576 1.00 64.42 H new ATOM 0 HB3 ALA A 311 6.939 -6.319 -10.040 1.00 64.42 H new ATOM 39 N GLU A 312 5.165 -4.001 -10.450 1.00 63.33 N ATOM 40 CA GLU A 312 4.606 -3.152 -11.495 1.00 41.50 C ATOM 41 C GLU A 312 4.266 -1.768 -10.947 1.00 61.44 C ATOM 42 O GLU A 312 4.754 -0.755 -11.446 1.00 3.33 O ATOM 43 CB GLU A 312 3.354 -3.797 -12.093 1.00 64.20 C ATOM 44 CG GLU A 312 3.553 -5.247 -12.501 1.00 22.44 C ATOM 45 CD GLU A 312 2.607 -5.678 -13.605 1.00 21.14 C ATOM 46 OE1 GLU A 312 2.690 -5.109 -14.713 1.00 73.20 O ATOM 47 OE2 GLU A 312 1.784 -6.585 -13.359 1.00 51.23 O ATOM 0 H GLU A 312 4.644 -4.861 -10.282 1.00 63.33 H new ATOM 0 HA GLU A 312 5.357 -3.041 -12.277 1.00 41.50 H new ATOM 0 HB2 GLU A 312 2.544 -3.741 -11.366 1.00 64.20 H new ATOM 0 HB3 GLU A 312 3.041 -3.223 -12.965 1.00 64.20 H new ATOM 0 HG2 GLU A 312 4.581 -5.389 -12.833 1.00 22.44 H new ATOM 0 HG3 GLU A 312 3.407 -5.888 -11.632 1.00 22.44 H new ATOM 54 N ALA A 313 3.425 -1.736 -9.919 1.00 31.11 N ATOM 55 CA ALA A 313 3.020 -0.479 -9.302 1.00 42.13 C ATOM 56 C ALA A 313 4.222 0.262 -8.726 1.00 42.15 C ATOM 57 O ALA A 313 4.284 1.492 -8.764 1.00 32.50 O ATOM 58 CB ALA A 313 1.985 -0.733 -8.217 1.00 13.22 C ATOM 0 H ALA A 313 3.011 -2.566 -9.496 1.00 31.11 H new ATOM 0 HA ALA A 313 2.575 0.149 -10.074 1.00 42.13 H new ATOM 0 HB1 ALA A 313 1.692 0.214 -7.765 1.00 13.22 H new ATOM 0 HB2 ALA A 313 1.109 -1.213 -8.654 1.00 13.22 H new ATOM 0 HB3 ALA A 313 2.411 -1.383 -7.453 1.00 13.22 H new ATOM 64 N THR A 314 5.177 -0.493 -8.193 1.00 21.25 N ATOM 65 CA THR A 314 6.377 0.092 -7.607 1.00 34.11 C ATOM 66 C THR A 314 7.045 1.061 -8.575 1.00 54.24 C ATOM 67 O THR A 314 7.596 2.083 -8.165 1.00 34.32 O ATOM 68 CB THR A 314 7.392 -0.994 -7.203 1.00 52.12 C ATOM 69 OG1 THR A 314 6.810 -1.873 -6.234 1.00 12.53 O ATOM 70 CG2 THR A 314 8.656 -0.368 -6.634 1.00 11.14 C ATOM 0 H THR A 314 5.143 -1.512 -8.155 1.00 21.25 H new ATOM 0 HA THR A 314 6.061 0.633 -6.715 1.00 34.11 H new ATOM 0 HB THR A 314 7.657 -1.562 -8.095 1.00 52.12 H new ATOM 0 HG1 THR A 314 6.173 -2.472 -6.677 1.00 12.53 H new ATOM 0 HG21 THR A 314 9.358 -1.154 -6.356 1.00 11.14 H new ATOM 0 HG22 THR A 314 9.112 0.277 -7.385 1.00 11.14 H new ATOM 0 HG23 THR A 314 8.405 0.223 -5.753 1.00 11.14 H new ATOM 78 N ARG A 315 6.992 0.735 -9.863 1.00 35.14 N ATOM 79 CA ARG A 315 7.592 1.577 -10.890 1.00 4.33 C ATOM 80 C ARG A 315 6.894 2.932 -10.959 1.00 52.10 C ATOM 81 O ARG A 315 7.500 3.968 -10.686 1.00 31.44 O ATOM 82 CB ARG A 315 7.523 0.885 -12.252 1.00 54.22 C ATOM 83 CG ARG A 315 8.740 0.030 -12.564 1.00 40.32 C ATOM 84 CD ARG A 315 8.774 -1.225 -11.707 1.00 32.03 C ATOM 85 NE ARG A 315 9.974 -2.022 -11.949 1.00 54.52 N ATOM 86 CZ ARG A 315 10.159 -2.759 -13.039 1.00 14.42 C ATOM 87 NH1 ARG A 315 9.227 -2.800 -13.981 1.00 50.23 N ATOM 88 NH2 ARG A 315 11.278 -3.456 -13.187 1.00 54.04 N ATOM 0 H ARG A 315 6.539 -0.107 -10.219 1.00 35.14 H new ATOM 0 HA ARG A 315 8.637 1.740 -10.626 1.00 4.33 H new ATOM 0 HB2 ARG A 315 6.631 0.259 -12.287 1.00 54.22 H new ATOM 0 HB3 ARG A 315 7.412 1.641 -13.029 1.00 54.22 H new ATOM 0 HG2 ARG A 315 8.730 -0.248 -13.618 1.00 40.32 H new ATOM 0 HG3 ARG A 315 9.647 0.611 -12.396 1.00 40.32 H new ATOM 0 HD2 ARG A 315 8.731 -0.946 -10.654 1.00 32.03 H new ATOM 0 HD3 ARG A 315 7.890 -1.829 -11.913 1.00 32.03 H new ATOM 0 HE ARG A 315 10.710 -2.012 -11.243 1.00 54.52 H new ATOM 0 HH11 ARG A 315 8.366 -2.265 -13.870 1.00 50.23 H new ATOM 0 HH12 ARG A 315 9.371 -3.366 -14.817 1.00 50.23 H new ATOM 0 HH21 ARG A 315 11.997 -3.426 -12.464 1.00 54.04 H new ATOM 0 HH22 ARG A 315 11.420 -4.022 -14.024 1.00 54.04 H new ATOM 102 N GLN A 316 5.617 2.915 -11.327 1.00 13.42 N ATOM 103 CA GLN A 316 4.837 4.143 -11.433 1.00 72.21 C ATOM 104 C GLN A 316 4.906 4.946 -10.138 1.00 71.51 C ATOM 105 O GLN A 316 4.941 6.175 -10.160 1.00 12.40 O ATOM 106 CB GLN A 316 3.380 3.819 -11.769 1.00 61.02 C ATOM 107 CG GLN A 316 2.719 2.882 -10.771 1.00 42.10 C ATOM 108 CD GLN A 316 1.265 2.611 -11.100 1.00 75.42 C ATOM 109 OE1 GLN A 316 0.361 3.083 -10.409 1.00 61.43 O ATOM 110 NE2 GLN A 316 1.030 1.846 -12.161 1.00 11.45 N ATOM 0 H GLN A 316 5.101 2.066 -11.557 1.00 13.42 H new ATOM 0 HA GLN A 316 5.263 4.746 -12.235 1.00 72.21 H new ATOM 0 HB2 GLN A 316 2.811 4.748 -11.814 1.00 61.02 H new ATOM 0 HB3 GLN A 316 3.336 3.369 -12.761 1.00 61.02 H new ATOM 0 HG2 GLN A 316 3.264 1.938 -10.748 1.00 42.10 H new ATOM 0 HG3 GLN A 316 2.787 3.314 -9.773 1.00 42.10 H new ATOM 0 HE21 GLN A 316 1.809 1.476 -12.705 1.00 11.45 H new ATOM 0 HE22 GLN A 316 0.071 1.629 -12.431 1.00 11.45 H new ATOM 119 N ALA A 317 4.925 4.241 -9.011 1.00 52.03 N ATOM 120 CA ALA A 317 4.991 4.888 -7.707 1.00 3.11 C ATOM 121 C ALA A 317 6.352 5.539 -7.486 1.00 3.40 C ATOM 122 O ALA A 317 6.456 6.574 -6.828 1.00 41.44 O ATOM 123 CB ALA A 317 4.700 3.882 -6.603 1.00 62.03 C ATOM 0 H ALA A 317 4.896 3.222 -8.975 1.00 52.03 H new ATOM 0 HA ALA A 317 4.233 5.671 -7.679 1.00 3.11 H new ATOM 0 HB1 ALA A 317 4.753 4.379 -5.634 1.00 62.03 H new ATOM 0 HB2 ALA A 317 3.702 3.466 -6.743 1.00 62.03 H new ATOM 0 HB3 ALA A 317 5.436 3.079 -6.639 1.00 62.03 H new ATOM 129 N ALA A 318 7.394 4.926 -8.039 1.00 55.00 N ATOM 130 CA ALA A 318 8.748 5.447 -7.903 1.00 51.41 C ATOM 131 C ALA A 318 8.925 6.731 -8.707 1.00 64.34 C ATOM 132 O ALA A 318 9.673 7.624 -8.311 1.00 42.13 O ATOM 133 CB ALA A 318 9.762 4.402 -8.343 1.00 4.13 C ATOM 0 H ALA A 318 7.326 4.068 -8.586 1.00 55.00 H new ATOM 0 HA ALA A 318 8.917 5.681 -6.852 1.00 51.41 H new ATOM 0 HB1 ALA A 318 10.769 4.805 -8.236 1.00 4.13 H new ATOM 0 HB2 ALA A 318 9.659 3.512 -7.723 1.00 4.13 H new ATOM 0 HB3 ALA A 318 9.585 4.140 -9.386 1.00 4.13 H new ATOM 139 N ALA A 319 8.234 6.815 -9.839 1.00 74.20 N ATOM 140 CA ALA A 319 8.314 7.990 -10.698 1.00 62.52 C ATOM 141 C ALA A 319 7.337 9.069 -10.245 1.00 41.02 C ATOM 142 O ALA A 319 7.707 10.234 -10.106 1.00 5.25 O ATOM 143 CB ALA A 319 8.045 7.604 -12.145 1.00 53.53 C ATOM 0 H ALA A 319 7.612 6.083 -10.183 1.00 74.20 H new ATOM 0 HA ALA A 319 9.322 8.397 -10.623 1.00 62.52 H new ATOM 0 HB1 ALA A 319 8.108 8.491 -12.776 1.00 53.53 H new ATOM 0 HB2 ALA A 319 8.786 6.874 -12.471 1.00 53.53 H new ATOM 0 HB3 ALA A 319 7.048 7.171 -12.227 1.00 53.53 H new ATOM 149 N GLN A 320 6.089 8.673 -10.018 1.00 53.34 N ATOM 150 CA GLN A 320 5.059 9.609 -9.583 1.00 34.34 C ATOM 151 C GLN A 320 5.525 10.406 -8.369 1.00 44.02 C ATOM 152 O GLN A 320 5.138 11.560 -8.187 1.00 32.51 O ATOM 153 CB GLN A 320 3.767 8.859 -9.249 1.00 44.33 C ATOM 154 CG GLN A 320 3.783 8.200 -7.880 1.00 30.14 C ATOM 155 CD GLN A 320 3.260 9.112 -6.787 1.00 60.41 C ATOM 156 OE1 GLN A 320 4.032 9.772 -6.091 1.00 70.12 O ATOM 157 NE2 GLN A 320 1.942 9.153 -6.631 1.00 20.14 N ATOM 0 H GLN A 320 5.767 7.712 -10.128 1.00 53.34 H new ATOM 0 HA GLN A 320 4.867 10.304 -10.400 1.00 34.34 H new ATOM 0 HB2 GLN A 320 2.930 9.555 -9.298 1.00 44.33 H new ATOM 0 HB3 GLN A 320 3.593 8.096 -10.008 1.00 44.33 H new ATOM 0 HG2 GLN A 320 3.180 7.293 -7.911 1.00 30.14 H new ATOM 0 HG3 GLN A 320 4.802 7.897 -7.639 1.00 30.14 H new ATOM 0 HE21 GLN A 320 1.340 8.589 -7.231 1.00 20.14 H new ATOM 0 HE22 GLN A 320 1.532 9.749 -5.912 1.00 20.14 H new ATOM 166 N GLU A 321 6.359 9.783 -7.543 1.00 24.43 N ATOM 167 CA GLU A 321 6.878 10.435 -6.346 1.00 15.01 C ATOM 168 C GLU A 321 8.028 11.375 -6.694 1.00 11.54 C ATOM 169 O GLU A 321 8.160 12.451 -6.112 1.00 3.54 O ATOM 170 CB GLU A 321 7.347 9.390 -5.331 1.00 43.34 C ATOM 171 CG GLU A 321 6.240 8.883 -4.423 1.00 0.32 C ATOM 172 CD GLU A 321 5.538 10.002 -3.678 1.00 5.33 C ATOM 173 OE1 GLU A 321 6.159 11.070 -3.491 1.00 52.25 O ATOM 174 OE2 GLU A 321 4.370 9.811 -3.281 1.00 22.51 O ATOM 0 H GLU A 321 6.690 8.828 -7.680 1.00 24.43 H new ATOM 0 HA GLU A 321 6.073 11.022 -5.905 1.00 15.01 H new ATOM 0 HB2 GLU A 321 7.782 8.546 -5.866 1.00 43.34 H new ATOM 0 HB3 GLU A 321 8.139 9.821 -4.718 1.00 43.34 H new ATOM 0 HG2 GLU A 321 5.510 8.334 -5.018 1.00 0.32 H new ATOM 0 HG3 GLU A 321 6.659 8.179 -3.704 1.00 0.32 H new ATOM 181 N GLU A 322 8.857 10.960 -7.646 1.00 70.02 N ATOM 182 CA GLU A 322 9.997 11.765 -8.070 1.00 73.42 C ATOM 183 C GLU A 322 9.534 13.084 -8.681 1.00 50.12 C ATOM 184 O GLU A 322 9.852 14.160 -8.175 1.00 11.24 O ATOM 185 CB GLU A 322 10.847 10.992 -9.081 1.00 53.12 C ATOM 186 CG GLU A 322 12.281 11.485 -9.173 1.00 51.34 C ATOM 187 CD GLU A 322 12.403 12.783 -9.948 1.00 12.45 C ATOM 188 OE1 GLU A 322 12.631 13.834 -9.313 1.00 11.22 O ATOM 189 OE2 GLU A 322 12.270 12.748 -11.189 1.00 22.21 O ATOM 0 H GLU A 322 8.761 10.072 -8.138 1.00 70.02 H new ATOM 0 HA GLU A 322 10.602 11.985 -7.190 1.00 73.42 H new ATOM 0 HB2 GLU A 322 10.851 9.937 -8.808 1.00 53.12 H new ATOM 0 HB3 GLU A 322 10.383 11.065 -10.064 1.00 53.12 H new ATOM 0 HG2 GLU A 322 12.677 11.628 -8.168 1.00 51.34 H new ATOM 0 HG3 GLU A 322 12.894 10.721 -9.652 1.00 51.34 H new ATOM 196 N ARG A 323 8.782 12.992 -9.773 1.00 50.32 N ATOM 197 CA ARG A 323 8.277 14.178 -10.455 1.00 33.22 C ATOM 198 C ARG A 323 7.558 15.103 -9.477 1.00 30.53 C ATOM 199 O ARG A 323 7.645 16.326 -9.585 1.00 12.53 O ATOM 200 CB ARG A 323 7.327 13.777 -11.585 1.00 63.52 C ATOM 201 CG ARG A 323 6.105 13.009 -11.110 1.00 34.30 C ATOM 202 CD ARG A 323 5.607 12.041 -12.172 1.00 51.12 C ATOM 203 NE ARG A 323 5.456 12.687 -13.473 1.00 55.13 N ATOM 204 CZ ARG A 323 5.092 12.042 -14.576 1.00 51.12 C ATOM 205 NH1 ARG A 323 4.843 10.740 -14.535 1.00 43.44 N ATOM 206 NH2 ARG A 323 4.976 12.699 -15.723 1.00 12.51 N ATOM 0 H ARG A 323 8.509 12.109 -10.204 1.00 50.32 H new ATOM 0 HA ARG A 323 9.128 14.713 -10.877 1.00 33.22 H new ATOM 0 HB2 ARG A 323 7.000 14.675 -12.109 1.00 63.52 H new ATOM 0 HB3 ARG A 323 7.871 13.167 -12.306 1.00 63.52 H new ATOM 0 HG2 ARG A 323 6.350 12.459 -10.201 1.00 34.30 H new ATOM 0 HG3 ARG A 323 5.310 13.710 -10.854 1.00 34.30 H new ATOM 0 HD2 ARG A 323 6.305 11.208 -12.259 1.00 51.12 H new ATOM 0 HD3 ARG A 323 4.649 11.623 -11.861 1.00 51.12 H new ATOM 0 HE ARG A 323 5.640 13.688 -13.538 1.00 55.13 H new ATOM 0 HH11 ARG A 323 4.931 10.231 -13.655 1.00 43.44 H new ATOM 0 HH12 ARG A 323 4.564 10.247 -15.383 1.00 43.44 H new ATOM 0 HH21 ARG A 323 5.166 13.700 -15.759 1.00 12.51 H new ATOM 0 HH22 ARG A 323 4.696 12.203 -16.569 1.00 12.51 H new ATOM 220 N LEU A 324 6.848 14.510 -8.523 1.00 62.41 N ATOM 221 CA LEU A 324 6.113 15.280 -7.525 1.00 65.44 C ATOM 222 C LEU A 324 7.070 15.992 -6.575 1.00 1.41 C ATOM 223 O LEU A 324 6.821 17.124 -6.161 1.00 13.11 O ATOM 224 CB LEU A 324 5.178 14.364 -6.734 1.00 14.51 C ATOM 225 CG LEU A 324 3.715 14.352 -7.180 1.00 41.21 C ATOM 226 CD1 LEU A 324 3.612 14.020 -8.661 1.00 15.44 C ATOM 227 CD2 LEU A 324 2.913 13.359 -6.352 1.00 0.23 C ATOM 0 H LEU A 324 6.766 13.499 -8.420 1.00 62.41 H new ATOM 0 HA LEU A 324 5.520 16.032 -8.045 1.00 65.44 H new ATOM 0 HB2 LEU A 324 5.563 13.346 -6.793 1.00 14.51 H new ATOM 0 HB3 LEU A 324 5.215 14.658 -5.685 1.00 14.51 H new ATOM 0 HG LEU A 324 3.298 15.347 -7.021 1.00 41.21 H new ATOM 0 HD11 LEU A 324 2.564 14.016 -8.961 1.00 15.44 H new ATOM 0 HD12 LEU A 324 4.152 14.769 -9.240 1.00 15.44 H new ATOM 0 HD13 LEU A 324 4.046 13.037 -8.845 1.00 15.44 H new ATOM 0 HD21 LEU A 324 1.875 13.364 -6.683 1.00 0.23 H new ATOM 0 HD22 LEU A 324 3.329 12.360 -6.479 1.00 0.23 H new ATOM 0 HD23 LEU A 324 2.960 13.641 -5.300 1.00 0.23 H new ATOM 239 N ALA A 325 8.166 15.323 -6.235 1.00 25.22 N ATOM 240 CA ALA A 325 9.163 15.894 -5.337 1.00 33.31 C ATOM 241 C ALA A 325 9.608 17.271 -5.816 1.00 2.21 C ATOM 242 O ALA A 325 9.804 18.185 -5.014 1.00 35.41 O ATOM 243 CB ALA A 325 10.360 14.962 -5.216 1.00 14.31 C ATOM 0 H ALA A 325 8.387 14.384 -6.568 1.00 25.22 H new ATOM 0 HA ALA A 325 8.707 16.010 -4.354 1.00 33.31 H new ATOM 0 HB1 ALA A 325 11.096 15.401 -4.543 1.00 14.31 H new ATOM 0 HB2 ALA A 325 10.034 14.000 -4.820 1.00 14.31 H new ATOM 0 HB3 ALA A 325 10.808 14.816 -6.199 1.00 14.31 H new ATOM 249 N ASP A 326 9.768 17.413 -7.127 1.00 54.40 N ATOM 250 CA ASP A 326 10.190 18.680 -7.713 1.00 0.21 C ATOM 251 C ASP A 326 9.130 19.757 -7.502 1.00 71.32 C ATOM 252 O ASP A 326 9.451 20.914 -7.228 1.00 33.14 O ATOM 253 CB ASP A 326 10.470 18.508 -9.207 1.00 34.33 C ATOM 254 CG ASP A 326 11.734 17.715 -9.471 1.00 62.52 C ATOM 255 OD1 ASP A 326 12.363 17.936 -10.527 1.00 2.22 O ATOM 256 OD2 ASP A 326 12.095 16.871 -8.623 1.00 55.41 O ATOM 0 H ASP A 326 9.612 16.666 -7.804 1.00 54.40 H new ATOM 0 HA ASP A 326 11.106 18.995 -7.214 1.00 0.21 H new ATOM 0 HB2 ASP A 326 9.624 18.005 -9.677 1.00 34.33 H new ATOM 0 HB3 ASP A 326 10.556 19.490 -9.673 1.00 34.33 H new ATOM 261 N LEU A 327 7.866 19.369 -7.633 1.00 62.24 N ATOM 262 CA LEU A 327 6.758 20.301 -7.458 1.00 73.14 C ATOM 263 C LEU A 327 6.742 20.869 -6.043 1.00 32.53 C ATOM 264 O LEU A 327 6.452 22.047 -5.839 1.00 41.11 O ATOM 265 CB LEU A 327 5.428 19.605 -7.756 1.00 24.21 C ATOM 266 CG LEU A 327 4.221 20.521 -7.956 1.00 12.33 C ATOM 267 CD1 LEU A 327 4.451 21.459 -9.130 1.00 42.34 C ATOM 268 CD2 LEU A 327 2.957 19.700 -8.166 1.00 41.15 C ATOM 0 H LEU A 327 7.583 18.416 -7.860 1.00 62.24 H new ATOM 0 HA LEU A 327 6.895 21.125 -8.158 1.00 73.14 H new ATOM 0 HB2 LEU A 327 5.551 18.999 -8.653 1.00 24.21 H new ATOM 0 HB3 LEU A 327 5.208 18.921 -6.937 1.00 24.21 H new ATOM 0 HG LEU A 327 4.094 21.123 -7.056 1.00 12.33 H new ATOM 0 HD11 LEU A 327 3.581 22.103 -9.257 1.00 42.34 H new ATOM 0 HD12 LEU A 327 5.332 22.072 -8.939 1.00 42.34 H new ATOM 0 HD13 LEU A 327 4.605 20.875 -10.037 1.00 42.34 H new ATOM 0 HD21 LEU A 327 2.108 20.369 -8.307 1.00 41.15 H new ATOM 0 HD22 LEU A 327 3.074 19.071 -9.049 1.00 41.15 H new ATOM 0 HD23 LEU A 327 2.783 19.071 -7.293 1.00 41.15 H new ATOM 280 N ALA A 328 7.057 20.022 -5.068 1.00 2.12 N ATOM 281 CA ALA A 328 7.083 20.440 -3.672 1.00 4.43 C ATOM 282 C ALA A 328 7.945 21.685 -3.488 1.00 11.13 C ATOM 283 O ALA A 328 7.550 22.630 -2.804 1.00 73.34 O ATOM 284 CB ALA A 328 7.593 19.309 -2.791 1.00 74.22 C ATOM 0 H ALA A 328 7.298 19.042 -5.220 1.00 2.12 H new ATOM 0 HA ALA A 328 6.064 20.687 -3.374 1.00 4.43 H new ATOM 0 HB1 ALA A 328 7.607 19.636 -1.751 1.00 74.22 H new ATOM 0 HB2 ALA A 328 6.936 18.445 -2.891 1.00 74.22 H new ATOM 0 HB3 ALA A 328 8.602 19.035 -3.099 1.00 74.22 H new ATOM 290 N SER A 329 9.124 21.679 -4.101 1.00 1.10 N ATOM 291 CA SER A 329 10.044 22.806 -4.001 1.00 13.33 C ATOM 292 C SER A 329 9.580 23.965 -4.878 1.00 44.04 C ATOM 293 O SER A 329 9.721 25.132 -4.511 1.00 35.54 O ATOM 294 CB SER A 329 11.455 22.378 -4.405 1.00 64.35 C ATOM 295 OG SER A 329 12.279 23.504 -4.655 1.00 34.03 O ATOM 0 H SER A 329 9.465 20.906 -4.672 1.00 1.10 H new ATOM 0 HA SER A 329 10.058 23.141 -2.964 1.00 13.33 H new ATOM 0 HB2 SER A 329 11.894 21.771 -3.614 1.00 64.35 H new ATOM 0 HB3 SER A 329 11.407 21.753 -5.297 1.00 64.35 H new ATOM 0 HG SER A 329 13.176 23.203 -4.910 1.00 34.03 H new ATOM 301 N ASP A 330 9.028 23.634 -6.041 1.00 3.45 N ATOM 302 CA ASP A 330 8.543 24.646 -6.972 1.00 13.22 C ATOM 303 C ASP A 330 7.596 25.618 -6.274 1.00 22.33 C ATOM 304 O ASP A 330 7.898 26.804 -6.135 1.00 21.22 O ATOM 305 CB ASP A 330 7.833 23.984 -8.154 1.00 20.44 C ATOM 306 CG ASP A 330 7.807 24.869 -9.384 1.00 0.33 C ATOM 307 OD1 ASP A 330 7.750 26.107 -9.223 1.00 74.33 O ATOM 308 OD2 ASP A 330 7.845 24.325 -10.507 1.00 1.21 O ATOM 0 H ASP A 330 8.906 22.673 -6.361 1.00 3.45 H new ATOM 0 HA ASP A 330 9.402 25.206 -7.341 1.00 13.22 H new ATOM 0 HB2 ASP A 330 8.333 23.046 -8.395 1.00 20.44 H new ATOM 0 HB3 ASP A 330 6.811 23.736 -7.867 1.00 20.44 H new ATOM 313 N LEU A 331 6.450 25.108 -5.837 1.00 72.20 N ATOM 314 CA LEU A 331 5.458 25.930 -5.154 1.00 15.42 C ATOM 315 C LEU A 331 6.082 26.672 -3.976 1.00 64.04 C ATOM 316 O LEU A 331 5.751 27.828 -3.711 1.00 3.32 O ATOM 317 CB LEU A 331 4.296 25.063 -4.666 1.00 54.24 C ATOM 318 CG LEU A 331 4.614 24.091 -3.530 1.00 3.23 C ATOM 319 CD1 LEU A 331 4.409 24.762 -2.180 1.00 73.14 C ATOM 320 CD2 LEU A 331 3.756 22.840 -3.642 1.00 33.23 C ATOM 0 H LEU A 331 6.185 24.129 -5.944 1.00 72.20 H new ATOM 0 HA LEU A 331 5.082 26.665 -5.865 1.00 15.42 H new ATOM 0 HB2 LEU A 331 3.491 25.721 -4.340 1.00 54.24 H new ATOM 0 HB3 LEU A 331 3.916 24.490 -5.512 1.00 54.24 H new ATOM 0 HG LEU A 331 5.661 23.797 -3.611 1.00 3.23 H new ATOM 0 HD11 LEU A 331 4.640 24.055 -1.383 1.00 73.14 H new ATOM 0 HD12 LEU A 331 5.068 25.627 -2.100 1.00 73.14 H new ATOM 0 HD13 LEU A 331 3.372 25.086 -2.088 1.00 73.14 H new ATOM 0 HD21 LEU A 331 3.996 22.160 -2.825 1.00 33.23 H new ATOM 0 HD22 LEU A 331 2.703 23.115 -3.587 1.00 33.23 H new ATOM 0 HD23 LEU A 331 3.953 22.347 -4.594 1.00 33.23 H new ATOM 332 N LEU A 332 6.989 26.001 -3.275 1.00 71.51 N ATOM 333 CA LEU A 332 7.663 26.596 -2.127 1.00 11.44 C ATOM 334 C LEU A 332 8.324 27.917 -2.508 1.00 61.01 C ATOM 335 O LEU A 332 8.218 28.908 -1.785 1.00 5.33 O ATOM 336 CB LEU A 332 8.710 25.631 -1.568 1.00 10.43 C ATOM 337 CG LEU A 332 9.139 25.871 -0.120 1.00 13.43 C ATOM 338 CD1 LEU A 332 9.570 24.567 0.533 1.00 74.04 C ATOM 339 CD2 LEU A 332 10.262 26.897 -0.059 1.00 33.41 C ATOM 0 H LEU A 332 7.275 25.044 -3.482 1.00 71.51 H new ATOM 0 HA LEU A 332 6.914 26.794 -1.360 1.00 11.44 H new ATOM 0 HB2 LEU A 332 8.319 24.617 -1.647 1.00 10.43 H new ATOM 0 HB3 LEU A 332 9.596 25.681 -2.201 1.00 10.43 H new ATOM 0 HG LEU A 332 8.284 26.264 0.431 1.00 13.43 H new ATOM 0 HD11 LEU A 332 9.872 24.758 1.563 1.00 74.04 H new ATOM 0 HD12 LEU A 332 8.738 23.863 0.523 1.00 74.04 H new ATOM 0 HD13 LEU A 332 10.410 24.144 -0.018 1.00 74.04 H new ATOM 0 HD21 LEU A 332 10.554 27.055 0.979 1.00 33.41 H new ATOM 0 HD22 LEU A 332 11.119 26.533 -0.626 1.00 33.41 H new ATOM 0 HD23 LEU A 332 9.918 27.839 -0.487 1.00 33.41 H new ATOM 351 N LEU A 333 9.004 27.924 -3.649 1.00 41.13 N ATOM 352 CA LEU A 333 9.681 29.124 -4.129 1.00 70.01 C ATOM 353 C LEU A 333 8.675 30.147 -4.646 1.00 53.01 C ATOM 354 O LEU A 333 8.846 31.351 -4.456 1.00 23.33 O ATOM 355 CB LEU A 333 10.675 28.765 -5.235 1.00 74.03 C ATOM 356 CG LEU A 333 11.885 29.689 -5.376 1.00 21.40 C ATOM 357 CD1 LEU A 333 12.901 29.094 -6.339 1.00 52.43 C ATOM 358 CD2 LEU A 333 11.450 31.070 -5.842 1.00 2.40 C ATOM 0 H LEU A 333 9.101 27.112 -4.259 1.00 41.13 H new ATOM 0 HA LEU A 333 10.222 29.565 -3.292 1.00 70.01 H new ATOM 0 HB2 LEU A 333 11.036 27.752 -5.057 1.00 74.03 H new ATOM 0 HB3 LEU A 333 10.141 28.751 -6.185 1.00 74.03 H new ATOM 0 HG LEU A 333 12.357 29.790 -4.399 1.00 21.40 H new ATOM 0 HD11 LEU A 333 13.755 29.765 -6.427 1.00 52.43 H new ATOM 0 HD12 LEU A 333 13.236 28.127 -5.963 1.00 52.43 H new ATOM 0 HD13 LEU A 333 12.441 28.962 -7.318 1.00 52.43 H new ATOM 0 HD21 LEU A 333 12.324 31.714 -5.937 1.00 2.40 H new ATOM 0 HD22 LEU A 333 10.953 30.988 -6.809 1.00 2.40 H new ATOM 0 HD23 LEU A 333 10.760 31.499 -5.115 1.00 2.40 H new ATOM 370 N GLN A 334 7.625 29.659 -5.298 1.00 55.05 N ATOM 371 CA GLN A 334 6.590 30.532 -5.841 1.00 60.52 C ATOM 372 C GLN A 334 6.027 31.446 -4.759 1.00 14.42 C ATOM 373 O GLN A 334 5.708 32.607 -5.017 1.00 52.32 O ATOM 374 CB GLN A 334 5.465 29.700 -6.459 1.00 53.14 C ATOM 375 CG GLN A 334 4.551 30.498 -7.376 1.00 5.32 C ATOM 376 CD GLN A 334 5.213 30.855 -8.692 1.00 72.15 C ATOM 377 OE1 GLN A 334 5.273 32.024 -9.074 1.00 2.24 O ATOM 378 NE2 GLN A 334 5.714 29.846 -9.396 1.00 11.11 N ATOM 0 H GLN A 334 7.468 28.665 -5.463 1.00 55.05 H new ATOM 0 HA GLN A 334 7.042 31.152 -6.616 1.00 60.52 H new ATOM 0 HB2 GLN A 334 5.902 28.876 -7.023 1.00 53.14 H new ATOM 0 HB3 GLN A 334 4.869 29.259 -5.660 1.00 53.14 H new ATOM 0 HG2 GLN A 334 3.647 29.922 -7.573 1.00 5.32 H new ATOM 0 HG3 GLN A 334 4.242 31.412 -6.869 1.00 5.32 H new ATOM 0 HE21 GLN A 334 5.642 28.892 -9.042 1.00 11.11 H new ATOM 0 HE22 GLN A 334 6.170 30.025 -10.290 1.00 11.11 H new ATOM 387 N TYR A 335 5.906 30.916 -3.547 1.00 2.21 N ATOM 388 CA TYR A 335 5.378 31.684 -2.426 1.00 4.35 C ATOM 389 C TYR A 335 6.187 32.960 -2.211 1.00 12.33 C ATOM 390 O TYR A 335 5.638 34.006 -1.861 1.00 54.15 O ATOM 391 CB TYR A 335 5.390 30.839 -1.151 1.00 2.13 C ATOM 392 CG TYR A 335 4.470 31.360 -0.070 1.00 53.22 C ATOM 393 CD1 TYR A 335 4.889 32.352 0.808 1.00 40.11 C ATOM 394 CD2 TYR A 335 3.181 30.860 0.073 1.00 5.23 C ATOM 395 CE1 TYR A 335 4.052 32.831 1.797 1.00 31.11 C ATOM 396 CE2 TYR A 335 2.337 31.334 1.059 1.00 60.14 C ATOM 397 CZ TYR A 335 2.777 32.319 1.918 1.00 12.01 C ATOM 398 OH TYR A 335 1.939 32.793 2.902 1.00 61.43 O ATOM 0 H TYR A 335 6.167 29.957 -3.316 1.00 2.21 H new ATOM 0 HA TYR A 335 4.350 31.962 -2.661 1.00 4.35 H new ATOM 0 HB2 TYR A 335 5.103 29.817 -1.400 1.00 2.13 H new ATOM 0 HB3 TYR A 335 6.407 30.798 -0.762 1.00 2.13 H new ATOM 0 HD1 TYR A 335 5.886 32.756 0.716 1.00 40.11 H new ATOM 0 HD2 TYR A 335 2.833 30.088 -0.598 1.00 5.23 H new ATOM 0 HE1 TYR A 335 4.394 33.602 2.472 1.00 31.11 H new ATOM 0 HE2 TYR A 335 1.338 30.935 1.156 1.00 60.14 H new ATOM 0 HH TYR A 335 1.078 32.329 2.850 1.00 61.43 H new ATOM 408 N LEU A 336 7.495 32.867 -2.422 1.00 72.55 N ATOM 409 CA LEU A 336 8.381 34.013 -2.253 1.00 63.33 C ATOM 410 C LEU A 336 8.465 34.830 -3.538 1.00 42.51 C ATOM 411 O LEU A 336 8.250 36.043 -3.530 1.00 55.21 O ATOM 412 CB LEU A 336 9.778 33.545 -1.841 1.00 2.45 C ATOM 413 CG LEU A 336 9.871 32.805 -0.506 1.00 61.52 C ATOM 414 CD1 LEU A 336 9.618 31.318 -0.702 1.00 64.24 C ATOM 415 CD2 LEU A 336 11.230 33.036 0.139 1.00 72.11 C ATOM 0 H LEU A 336 7.966 32.009 -2.711 1.00 72.55 H new ATOM 0 HA LEU A 336 7.970 34.647 -1.467 1.00 63.33 H new ATOM 0 HB2 LEU A 336 10.166 32.893 -2.623 1.00 2.45 H new ATOM 0 HB3 LEU A 336 10.433 34.415 -1.798 1.00 2.45 H new ATOM 0 HG LEU A 336 9.104 33.199 0.160 1.00 61.52 H new ATOM 0 HD11 LEU A 336 9.688 30.807 0.258 1.00 64.24 H new ATOM 0 HD12 LEU A 336 8.622 31.170 -1.120 1.00 64.24 H new ATOM 0 HD13 LEU A 336 10.362 30.909 -1.385 1.00 64.24 H new ATOM 0 HD21 LEU A 336 11.278 32.502 1.088 1.00 72.11 H new ATOM 0 HD22 LEU A 336 12.014 32.670 -0.524 1.00 72.11 H new ATOM 0 HD23 LEU A 336 11.373 34.102 0.315 1.00 72.11 H new ATOM 427 N LEU A 337 8.778 34.159 -4.641 1.00 53.30 N ATOM 428 CA LEU A 337 8.888 34.823 -5.935 1.00 52.14 C ATOM 429 C LEU A 337 7.638 35.644 -6.234 1.00 54.33 C ATOM 430 O LEU A 337 7.724 36.831 -6.550 1.00 22.35 O ATOM 431 CB LEU A 337 9.111 33.791 -7.042 1.00 50.45 C ATOM 432 CG LEU A 337 9.644 34.335 -8.369 1.00 21.43 C ATOM 433 CD1 LEU A 337 10.457 33.273 -9.092 1.00 63.43 C ATOM 434 CD2 LEU A 337 8.499 34.821 -9.245 1.00 32.12 C ATOM 0 H LEU A 337 8.960 33.156 -4.665 1.00 53.30 H new ATOM 0 HA LEU A 337 9.743 35.498 -5.898 1.00 52.14 H new ATOM 0 HB2 LEU A 337 9.808 33.038 -6.674 1.00 50.45 H new ATOM 0 HB3 LEU A 337 8.166 33.283 -7.234 1.00 50.45 H new ATOM 0 HG LEU A 337 10.297 35.182 -8.157 1.00 21.43 H new ATOM 0 HD11 LEU A 337 10.828 33.677 -10.034 1.00 63.43 H new ATOM 0 HD12 LEU A 337 11.299 32.973 -8.469 1.00 63.43 H new ATOM 0 HD13 LEU A 337 9.827 32.406 -9.292 1.00 63.43 H new ATOM 0 HD21 LEU A 337 8.897 35.204 -10.184 1.00 32.12 H new ATOM 0 HD22 LEU A 337 7.820 33.993 -9.449 1.00 32.12 H new ATOM 0 HD23 LEU A 337 7.958 35.614 -8.729 1.00 32.12 H new ATOM 446 N GLN A 338 6.477 35.005 -6.131 1.00 21.31 N ATOM 447 CA GLN A 338 5.209 35.677 -6.389 1.00 3.12 C ATOM 448 C GLN A 338 5.088 36.949 -5.556 1.00 44.12 C ATOM 449 O GLN A 338 4.597 37.971 -6.033 1.00 44.25 O ATOM 450 CB GLN A 338 4.039 34.740 -6.083 1.00 45.21 C ATOM 451 CG GLN A 338 2.677 35.387 -6.270 1.00 53.31 C ATOM 452 CD GLN A 338 1.636 34.416 -6.791 1.00 31.00 C ATOM 453 OE1 GLN A 338 0.874 34.735 -7.704 1.00 41.23 O ATOM 454 NE2 GLN A 338 1.598 33.222 -6.212 1.00 31.33 N ATOM 0 H GLN A 338 6.388 34.023 -5.871 1.00 21.31 H new ATOM 0 HA GLN A 338 5.180 35.951 -7.444 1.00 3.12 H new ATOM 0 HB2 GLN A 338 4.108 33.864 -6.728 1.00 45.21 H new ATOM 0 HB3 GLN A 338 4.126 34.387 -5.056 1.00 45.21 H new ATOM 0 HG2 GLN A 338 2.341 35.798 -5.318 1.00 53.31 H new ATOM 0 HG3 GLN A 338 2.768 36.223 -6.964 1.00 53.31 H new ATOM 0 HE21 GLN A 338 2.248 33.000 -5.458 1.00 31.33 H new ATOM 0 HE22 GLN A 338 0.918 32.527 -6.521 1.00 31.33 H new ATOM 463 N GLY A 339 5.540 36.878 -4.307 1.00 53.54 N ATOM 464 CA GLY A 339 5.472 38.031 -3.428 1.00 64.00 C ATOM 465 C GLY A 339 6.149 39.252 -4.019 1.00 65.41 C ATOM 466 O GLY A 339 5.574 40.339 -4.042 1.00 63.25 O ATOM 0 H GLY A 339 5.951 36.044 -3.889 1.00 53.54 H new ATOM 0 HA2 GLY A 339 4.428 38.264 -3.219 1.00 64.00 H new ATOM 0 HA3 GLY A 339 5.940 37.785 -2.475 1.00 64.00 H new ATOM 470 N GLY A 340 7.377 39.072 -4.497 1.00 42.33 N ATOM 471 CA GLY A 340 8.114 40.177 -5.083 1.00 12.01 C ATOM 472 C GLY A 340 7.641 40.511 -6.484 1.00 24.00 C ATOM 473 O GLY A 340 7.658 41.672 -6.891 1.00 55.13 O ATOM 0 H GLY A 340 7.874 38.181 -4.489 1.00 42.33 H new ATOM 0 HA2 GLY A 340 8.009 41.057 -4.448 1.00 12.01 H new ATOM 0 HA3 GLY A 340 9.175 39.928 -5.111 1.00 12.01 H new ATOM 477 N ALA A 341 7.221 39.490 -7.224 1.00 11.30 N ATOM 478 CA ALA A 341 6.742 39.681 -8.587 1.00 52.42 C ATOM 479 C ALA A 341 5.669 40.764 -8.645 1.00 62.24 C ATOM 480 O ALA A 341 5.792 41.733 -9.395 1.00 74.52 O ATOM 481 CB ALA A 341 6.204 38.372 -9.146 1.00 42.41 C ATOM 0 H ALA A 341 7.203 38.522 -6.902 1.00 11.30 H new ATOM 0 HA ALA A 341 7.583 40.006 -9.199 1.00 52.42 H new ATOM 0 HB1 ALA A 341 5.850 38.530 -10.165 1.00 42.41 H new ATOM 0 HB2 ALA A 341 6.997 37.624 -9.149 1.00 42.41 H new ATOM 0 HB3 ALA A 341 5.379 38.023 -8.525 1.00 42.41 H new ATOM 487 N ARG A 342 4.618 40.592 -7.850 1.00 42.23 N ATOM 488 CA ARG A 342 3.523 41.554 -7.813 1.00 61.13 C ATOM 489 C ARG A 342 3.969 42.861 -7.165 1.00 2.21 C ATOM 490 O ARG A 342 3.602 43.945 -7.617 1.00 12.45 O ATOM 491 CB ARG A 342 2.332 40.973 -7.049 1.00 10.54 C ATOM 492 CG ARG A 342 2.666 40.558 -5.625 1.00 51.41 C ATOM 493 CD ARG A 342 1.795 39.401 -5.164 1.00 33.45 C ATOM 494 NE ARG A 342 0.556 39.861 -4.543 1.00 13.42 N ATOM 495 CZ ARG A 342 0.499 40.409 -3.334 1.00 32.02 C ATOM 496 NH1 ARG A 342 1.605 40.564 -2.620 1.00 22.32 N ATOM 497 NH2 ARG A 342 -0.667 40.804 -2.837 1.00 64.41 N ATOM 0 H ARG A 342 4.502 39.796 -7.223 1.00 42.23 H new ATOM 0 HA ARG A 342 3.221 41.763 -8.839 1.00 61.13 H new ATOM 0 HB2 ARG A 342 1.531 41.712 -7.025 1.00 10.54 H new ATOM 0 HB3 ARG A 342 1.951 40.107 -7.591 1.00 10.54 H new ATOM 0 HG2 ARG A 342 3.716 40.271 -5.565 1.00 51.41 H new ATOM 0 HG3 ARG A 342 2.529 41.407 -4.956 1.00 51.41 H new ATOM 0 HD2 ARG A 342 1.558 38.764 -6.016 1.00 33.45 H new ATOM 0 HD3 ARG A 342 2.351 38.790 -4.453 1.00 33.45 H new ATOM 0 HE ARG A 342 -0.313 39.756 -5.066 1.00 13.42 H new ATOM 0 HH11 ARG A 342 2.503 40.262 -2.998 1.00 22.32 H new ATOM 0 HH12 ARG A 342 1.558 40.985 -1.692 1.00 22.32 H new ATOM 0 HH21 ARG A 342 -1.520 40.687 -3.383 1.00 64.41 H new ATOM 0 HH22 ARG A 342 -0.710 41.225 -1.909 1.00 64.41 H new ATOM 511 N GLN A 343 4.762 42.749 -6.104 1.00 42.22 N ATOM 512 CA GLN A 343 5.257 43.922 -5.394 1.00 11.44 C ATOM 513 C GLN A 343 5.943 44.890 -6.352 1.00 51.30 C ATOM 514 O GLN A 343 5.699 46.096 -6.312 1.00 1.34 O ATOM 515 CB GLN A 343 6.230 43.504 -4.290 1.00 34.32 C ATOM 516 CG GLN A 343 5.555 43.230 -2.955 1.00 54.25 C ATOM 517 CD GLN A 343 5.238 44.500 -2.190 1.00 44.13 C ATOM 518 OE1 GLN A 343 6.139 45.237 -1.788 1.00 62.11 O ATOM 519 NE2 GLN A 343 3.953 44.763 -1.985 1.00 1.40 N ATOM 0 H GLN A 343 5.075 41.858 -5.718 1.00 42.22 H new ATOM 0 HA GLN A 343 4.403 44.429 -4.944 1.00 11.44 H new ATOM 0 HB2 GLN A 343 6.764 42.609 -4.608 1.00 34.32 H new ATOM 0 HB3 GLN A 343 6.974 44.289 -4.157 1.00 34.32 H new ATOM 0 HG2 GLN A 343 4.633 42.673 -3.126 1.00 54.25 H new ATOM 0 HG3 GLN A 343 6.202 42.597 -2.348 1.00 54.25 H new ATOM 0 HE21 GLN A 343 3.239 44.124 -2.336 1.00 1.40 H new ATOM 0 HE22 GLN A 343 3.679 45.604 -1.477 1.00 1.40 H new ATOM 528 N ARG A 344 6.802 44.354 -7.213 1.00 33.22 N ATOM 529 CA ARG A 344 7.524 45.171 -8.180 1.00 62.45 C ATOM 530 C ARG A 344 6.648 45.484 -9.389 1.00 53.15 C ATOM 531 O ARG A 344 6.713 46.577 -9.950 1.00 3.31 O ATOM 532 CB ARG A 344 8.799 44.455 -8.633 1.00 14.41 C ATOM 533 CG ARG A 344 9.859 44.355 -7.548 1.00 54.21 C ATOM 534 CD ARG A 344 10.727 45.603 -7.501 1.00 61.41 C ATOM 535 NE ARG A 344 11.884 45.498 -8.387 1.00 14.03 N ATOM 536 CZ ARG A 344 12.946 44.746 -8.122 1.00 62.03 C ATOM 537 NH1 ARG A 344 12.998 44.036 -7.004 1.00 21.12 N ATOM 538 NH2 ARG A 344 13.959 44.703 -8.978 1.00 24.31 N ATOM 0 H ARG A 344 7.015 43.358 -7.260 1.00 33.22 H new ATOM 0 HA ARG A 344 7.794 46.109 -7.696 1.00 62.45 H new ATOM 0 HB2 ARG A 344 8.541 43.451 -8.971 1.00 14.41 H new ATOM 0 HB3 ARG A 344 9.217 44.983 -9.490 1.00 14.41 H new ATOM 0 HG2 ARG A 344 9.378 44.208 -6.581 1.00 54.21 H new ATOM 0 HG3 ARG A 344 10.485 43.481 -7.729 1.00 54.21 H new ATOM 0 HD2 ARG A 344 10.131 46.470 -7.784 1.00 61.41 H new ATOM 0 HD3 ARG A 344 11.067 45.770 -6.479 1.00 61.41 H new ATOM 0 HE ARG A 344 11.876 46.031 -9.256 1.00 14.03 H new ATOM 0 HH11 ARG A 344 12.221 44.066 -6.344 1.00 21.12 H new ATOM 0 HH12 ARG A 344 13.815 43.459 -6.804 1.00 21.12 H new ATOM 0 HH21 ARG A 344 13.922 45.248 -9.840 1.00 24.31 H new ATOM 0 HH22 ARG A 344 14.775 44.125 -8.774 1.00 24.31 H new ATOM 552 N GLY A 345 5.827 44.516 -9.786 1.00 62.14 N ATOM 553 CA GLY A 345 4.950 44.708 -10.926 1.00 61.25 C ATOM 554 C GLY A 345 4.054 45.921 -10.771 1.00 20.51 C ATOM 555 O GLY A 345 4.000 46.779 -11.653 1.00 33.13 O ATOM 0 H GLY A 345 5.754 43.602 -9.338 1.00 62.14 H new ATOM 0 HA2 GLY A 345 5.551 44.817 -11.829 1.00 61.25 H new ATOM 0 HA3 GLY A 345 4.333 43.819 -11.060 1.00 61.25 H new ATOM 559 N LEU A 346 3.348 45.992 -9.648 1.00 51.11 N ATOM 560 CA LEU A 346 2.448 47.108 -9.380 1.00 53.41 C ATOM 561 C LEU A 346 2.933 47.925 -8.187 1.00 21.02 C ATOM 562 O LEU A 346 3.420 49.044 -8.344 1.00 34.11 O ATOM 563 CB LEU A 346 1.031 46.595 -9.119 1.00 14.11 C ATOM 564 CG LEU A 346 -0.017 47.657 -8.785 1.00 11.44 C ATOM 565 CD1 LEU A 346 -0.397 48.443 -10.030 1.00 43.30 C ATOM 566 CD2 LEU A 346 -1.248 47.015 -8.161 1.00 42.22 C ATOM 0 H LEU A 346 3.381 45.290 -8.909 1.00 51.11 H new ATOM 0 HA LEU A 346 2.438 47.753 -10.258 1.00 53.41 H new ATOM 0 HB2 LEU A 346 0.696 46.048 -10.000 1.00 14.11 H new ATOM 0 HB3 LEU A 346 1.070 45.881 -8.296 1.00 14.11 H new ATOM 0 HG LEU A 346 0.414 48.349 -8.061 1.00 11.44 H new ATOM 0 HD11 LEU A 346 -1.144 49.194 -9.772 1.00 43.30 H new ATOM 0 HD12 LEU A 346 0.488 48.935 -10.434 1.00 43.30 H new ATOM 0 HD13 LEU A 346 -0.808 47.764 -10.777 1.00 43.30 H new ATOM 0 HD21 LEU A 346 -1.983 47.786 -7.930 1.00 42.22 H new ATOM 0 HD22 LEU A 346 -1.680 46.300 -8.861 1.00 42.22 H new ATOM 0 HD23 LEU A 346 -0.964 46.498 -7.244 1.00 42.22 H new ATOM 578 N GLY A 347 2.799 47.356 -6.993 1.00 31.24 N ATOM 579 CA GLY A 347 3.230 48.044 -5.790 1.00 42.20 C ATOM 580 C GLY A 347 2.216 47.942 -4.668 1.00 50.22 C ATOM 581 O GLY A 347 2.576 47.694 -3.518 1.00 1.35 O ATOM 0 H GLY A 347 2.400 46.431 -6.837 1.00 31.24 H new ATOM 0 HA2 GLY A 347 4.180 47.625 -5.456 1.00 42.20 H new ATOM 0 HA3 GLY A 347 3.408 49.094 -6.020 1.00 42.20 H new TER 585 GLY A 347