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 -31:sc= 0.064 USER MOD Single : A 310 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.038) USER MOD Single : A 314 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 316 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : A 320 GLN : amide:sc= -2.48 K(o=-2.5,f=-9.6!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 343 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 309 4.782 -9.050 -7.720 1.00 72.32 N ATOM 2 CA SER A 309 4.475 -8.454 -6.425 1.00 71.13 C ATOM 3 C SER A 309 4.064 -6.993 -6.583 1.00 64.24 C ATOM 4 O SER A 309 4.615 -6.109 -5.927 1.00 74.25 O ATOM 5 CB SER A 309 5.683 -8.558 -5.493 1.00 24.11 C ATOM 6 OG SER A 309 6.810 -7.899 -6.043 1.00 44.34 O ATOM 0 HA SER A 309 3.640 -9.003 -5.989 1.00 71.13 H new ATOM 0 HB2 SER A 309 5.438 -8.120 -4.525 1.00 24.11 H new ATOM 0 HB3 SER A 309 5.921 -9.607 -5.317 1.00 24.11 H new ATOM 0 HG SER A 309 6.772 -7.947 -7.021 1.00 44.34 H new ATOM 12 N GLN A 310 3.094 -6.749 -7.458 1.00 63.15 N ATOM 13 CA GLN A 310 2.610 -5.396 -7.704 1.00 3.32 C ATOM 14 C GLN A 310 3.733 -4.501 -8.217 1.00 44.41 C ATOM 15 O GLN A 310 3.802 -3.319 -7.879 1.00 63.41 O ATOM 16 CB GLN A 310 2.015 -4.805 -6.425 1.00 2.44 C ATOM 17 CG GLN A 310 0.972 -5.696 -5.770 1.00 62.23 C ATOM 18 CD GLN A 310 -0.210 -5.975 -6.678 1.00 44.11 C ATOM 19 OE1 GLN A 310 -0.219 -6.958 -7.420 1.00 41.40 O ATOM 20 NE2 GLN A 310 -1.215 -5.109 -6.624 1.00 32.42 N ATOM 0 H GLN A 310 2.628 -7.470 -8.008 1.00 63.15 H new ATOM 0 HA GLN A 310 1.834 -5.448 -8.468 1.00 3.32 H new ATOM 0 HB2 GLN A 310 2.819 -4.618 -5.713 1.00 2.44 H new ATOM 0 HB3 GLN A 310 1.563 -3.841 -6.657 1.00 2.44 H new ATOM 0 HG2 GLN A 310 1.435 -6.640 -5.482 1.00 62.23 H new ATOM 0 HG3 GLN A 310 0.618 -5.222 -4.854 1.00 62.23 H new ATOM 0 HE21 GLN A 310 -1.165 -4.308 -5.994 1.00 32.42 H new ATOM 0 HE22 GLN A 310 -2.037 -5.245 -7.212 1.00 32.42 H new ATOM 29 N ALA A 311 4.612 -5.072 -9.035 1.00 14.31 N ATOM 30 CA ALA A 311 5.731 -4.325 -9.596 1.00 54.00 C ATOM 31 C ALA A 311 5.240 -3.178 -10.473 1.00 64.03 C ATOM 32 O ALA A 311 5.833 -2.100 -10.489 1.00 3.12 O ATOM 33 CB ALA A 311 6.637 -5.252 -10.393 1.00 53.41 C ATOM 0 H ALA A 311 4.570 -6.049 -9.324 1.00 14.31 H new ATOM 0 HA ALA A 311 6.302 -3.898 -8.771 1.00 54.00 H new ATOM 0 HB1 ALA A 311 7.468 -4.681 -10.806 1.00 53.41 H new ATOM 0 HB2 ALA A 311 7.023 -6.034 -9.739 1.00 53.41 H new ATOM 0 HB3 ALA A 311 6.069 -5.706 -11.205 1.00 53.41 H new ATOM 39 N GLU A 312 4.155 -3.419 -11.202 1.00 42.35 N ATOM 40 CA GLU A 312 3.587 -2.405 -12.083 1.00 44.05 C ATOM 41 C GLU A 312 3.344 -1.102 -11.328 1.00 13.05 C ATOM 42 O GLU A 312 3.853 -0.048 -11.706 1.00 51.34 O ATOM 43 CB GLU A 312 2.277 -2.905 -12.695 1.00 62.14 C ATOM 44 CG GLU A 312 2.387 -4.283 -13.327 1.00 43.41 C ATOM 45 CD GLU A 312 1.306 -4.539 -14.359 1.00 63.21 C ATOM 46 OE1 GLU A 312 1.506 -5.423 -15.219 1.00 35.12 O ATOM 47 OE2 GLU A 312 0.262 -3.857 -14.308 1.00 10.25 O ATOM 0 H GLU A 312 3.652 -4.306 -11.200 1.00 42.35 H new ATOM 0 HA GLU A 312 4.303 -2.213 -12.882 1.00 44.05 H new ATOM 0 HB2 GLU A 312 1.510 -2.930 -11.921 1.00 62.14 H new ATOM 0 HB3 GLU A 312 1.944 -2.194 -13.451 1.00 62.14 H new ATOM 0 HG2 GLU A 312 3.365 -4.386 -13.797 1.00 43.41 H new ATOM 0 HG3 GLU A 312 2.327 -5.042 -12.547 1.00 43.41 H new ATOM 54 N ALA A 313 2.561 -1.184 -10.257 1.00 13.42 N ATOM 55 CA ALA A 313 2.250 -0.012 -9.446 1.00 61.45 C ATOM 56 C ALA A 313 3.507 0.552 -8.793 1.00 51.11 C ATOM 57 O ALA A 313 3.661 1.767 -8.665 1.00 11.32 O ATOM 58 CB ALA A 313 1.214 -0.362 -8.388 1.00 64.52 C ATOM 0 H ALA A 313 2.130 -2.049 -9.931 1.00 13.42 H new ATOM 0 HA ALA A 313 1.838 0.755 -10.102 1.00 61.45 H new ATOM 0 HB1 ALA A 313 0.992 0.522 -7.790 1.00 64.52 H new ATOM 0 HB2 ALA A 313 0.302 -0.711 -8.873 1.00 64.52 H new ATOM 0 HB3 ALA A 313 1.605 -1.148 -7.742 1.00 64.52 H new ATOM 64 N THR A 314 4.404 -0.338 -8.380 1.00 44.51 N ATOM 65 CA THR A 314 5.647 0.072 -7.738 1.00 61.01 C ATOM 66 C THR A 314 6.388 1.104 -8.581 1.00 74.33 C ATOM 67 O THR A 314 7.018 2.017 -8.049 1.00 12.41 O ATOM 68 CB THR A 314 6.575 -1.133 -7.490 1.00 15.53 C ATOM 69 OG1 THR A 314 5.927 -2.081 -6.635 1.00 71.50 O ATOM 70 CG2 THR A 314 7.885 -0.686 -6.859 1.00 13.41 C ATOM 0 H THR A 314 4.293 -1.347 -8.479 1.00 44.51 H new ATOM 0 HA THR A 314 5.376 0.517 -6.780 1.00 61.01 H new ATOM 0 HB THR A 314 6.794 -1.600 -8.450 1.00 15.53 H new ATOM 0 HG1 THR A 314 5.160 -2.472 -7.103 1.00 71.50 H new ATOM 0 HG21 THR A 314 8.524 -1.554 -6.693 1.00 13.41 H new ATOM 0 HG22 THR A 314 8.389 0.014 -7.525 1.00 13.41 H new ATOM 0 HG23 THR A 314 7.682 -0.198 -5.906 1.00 13.41 H new ATOM 78 N ARG A 315 6.307 0.952 -9.899 1.00 52.11 N ATOM 79 CA ARG A 315 6.970 1.871 -10.816 1.00 3.10 C ATOM 80 C ARG A 315 6.338 3.258 -10.747 1.00 42.34 C ATOM 81 O ARG A 315 6.989 4.228 -10.358 1.00 74.13 O ATOM 82 CB ARG A 315 6.899 1.337 -12.248 1.00 22.13 C ATOM 83 CG ARG A 315 8.116 0.522 -12.655 1.00 34.54 C ATOM 84 CD ARG A 315 8.060 -0.886 -12.081 1.00 3.20 C ATOM 85 NE ARG A 315 7.219 -1.771 -12.882 1.00 14.41 N ATOM 86 CZ ARG A 315 7.583 -2.265 -14.060 1.00 5.43 C ATOM 87 NH1 ARG A 315 8.769 -1.962 -14.571 1.00 31.23 N ATOM 88 NH2 ARG A 315 6.762 -3.063 -14.729 1.00 31.53 N ATOM 0 H ARG A 315 5.789 0.201 -10.355 1.00 52.11 H new ATOM 0 HA ARG A 315 8.015 1.951 -10.517 1.00 3.10 H new ATOM 0 HB2 ARG A 315 6.007 0.719 -12.353 1.00 22.13 H new ATOM 0 HB3 ARG A 315 6.788 2.176 -12.935 1.00 22.13 H new ATOM 0 HG2 ARG A 315 8.174 0.471 -13.742 1.00 34.54 H new ATOM 0 HG3 ARG A 315 9.022 1.021 -12.310 1.00 34.54 H new ATOM 0 HD2 ARG A 315 9.069 -1.296 -12.027 1.00 3.20 H new ATOM 0 HD3 ARG A 315 7.677 -0.847 -11.061 1.00 3.20 H new ATOM 0 HE ARG A 315 6.301 -2.024 -12.517 1.00 14.41 H new ATOM 0 HH11 ARG A 315 9.403 -1.349 -14.059 1.00 31.23 H new ATOM 0 HH12 ARG A 315 9.047 -2.342 -15.476 1.00 31.23 H new ATOM 0 HH21 ARG A 315 5.849 -3.298 -14.339 1.00 31.53 H new ATOM 0 HH22 ARG A 315 7.043 -3.441 -15.634 1.00 31.53 H new ATOM 102 N GLN A 316 5.068 3.344 -11.128 1.00 72.45 N ATOM 103 CA GLN A 316 4.349 4.612 -11.111 1.00 41.11 C ATOM 104 C GLN A 316 4.459 5.281 -9.745 1.00 41.52 C ATOM 105 O GLN A 316 4.567 6.504 -9.649 1.00 31.41 O ATOM 106 CB GLN A 316 2.878 4.394 -11.468 1.00 72.13 C ATOM 107 CG GLN A 316 2.199 3.325 -10.626 1.00 44.52 C ATOM 108 CD GLN A 316 0.785 3.031 -11.086 1.00 22.30 C ATOM 109 OE1 GLN A 316 -0.179 3.267 -10.357 1.00 42.44 O ATOM 110 NE2 GLN A 316 0.654 2.511 -12.301 1.00 14.21 N ATOM 0 H GLN A 316 4.516 2.550 -11.452 1.00 72.45 H new ATOM 0 HA GLN A 316 4.802 5.268 -11.855 1.00 41.11 H new ATOM 0 HB2 GLN A 316 2.341 5.335 -11.348 1.00 72.13 H new ATOM 0 HB3 GLN A 316 2.805 4.117 -12.520 1.00 72.13 H new ATOM 0 HG2 GLN A 316 2.788 2.409 -10.665 1.00 44.52 H new ATOM 0 HG3 GLN A 316 2.179 3.646 -9.585 1.00 44.52 H new ATOM 0 HE21 GLN A 316 1.481 2.332 -12.871 1.00 14.21 H new ATOM 0 HE22 GLN A 316 -0.273 2.291 -12.664 1.00 14.21 H new ATOM 119 N ALA A 317 4.431 4.472 -8.691 1.00 53.42 N ATOM 120 CA ALA A 317 4.529 4.986 -7.331 1.00 11.32 C ATOM 121 C ALA A 317 5.934 5.501 -7.039 1.00 1.54 C ATOM 122 O ALA A 317 6.110 6.458 -6.284 1.00 65.25 O ATOM 123 CB ALA A 317 4.141 3.908 -6.330 1.00 24.21 C ATOM 0 H ALA A 317 4.341 3.458 -8.753 1.00 53.42 H new ATOM 0 HA ALA A 317 3.836 5.822 -7.234 1.00 11.32 H new ATOM 0 HB1 ALA A 317 4.219 4.306 -5.318 1.00 24.21 H new ATOM 0 HB2 ALA A 317 3.115 3.590 -6.517 1.00 24.21 H new ATOM 0 HB3 ALA A 317 4.811 3.054 -6.437 1.00 24.21 H new ATOM 129 N ALA A 318 6.931 4.861 -7.640 1.00 62.11 N ATOM 130 CA ALA A 318 8.321 5.256 -7.445 1.00 73.41 C ATOM 131 C ALA A 318 8.613 6.590 -8.124 1.00 32.43 C ATOM 132 O ALA A 318 9.424 7.379 -7.640 1.00 34.45 O ATOM 133 CB ALA A 318 9.255 4.177 -7.973 1.00 71.11 C ATOM 0 H ALA A 318 6.802 4.066 -8.266 1.00 62.11 H new ATOM 0 HA ALA A 318 8.492 5.378 -6.375 1.00 73.41 H new ATOM 0 HB1 ALA A 318 10.289 4.485 -7.821 1.00 71.11 H new ATOM 0 HB2 ALA A 318 9.072 3.244 -7.439 1.00 71.11 H new ATOM 0 HB3 ALA A 318 9.074 4.028 -9.037 1.00 71.11 H new ATOM 139 N ALA A 319 7.948 6.835 -9.248 1.00 35.42 N ATOM 140 CA ALA A 319 8.135 8.074 -9.992 1.00 62.30 C ATOM 141 C ALA A 319 7.241 9.182 -9.447 1.00 53.13 C ATOM 142 O ALA A 319 7.701 10.295 -9.195 1.00 41.34 O ATOM 143 CB ALA A 319 7.858 7.848 -11.471 1.00 42.30 C ATOM 0 H ALA A 319 7.275 6.191 -9.663 1.00 35.42 H new ATOM 0 HA ALA A 319 9.172 8.388 -9.872 1.00 62.30 H new ATOM 0 HB1 ALA A 319 8.001 8.782 -12.015 1.00 42.30 H new ATOM 0 HB2 ALA A 319 8.543 7.094 -11.858 1.00 42.30 H new ATOM 0 HB3 ALA A 319 6.831 7.507 -11.601 1.00 42.30 H new ATOM 149 N GLN A 320 5.961 8.870 -9.269 1.00 23.32 N ATOM 150 CA GLN A 320 5.003 9.841 -8.755 1.00 73.02 C ATOM 151 C GLN A 320 5.514 10.483 -7.470 1.00 2.30 C ATOM 152 O GLN A 320 5.217 11.643 -7.184 1.00 61.42 O ATOM 153 CB GLN A 320 3.651 9.170 -8.501 1.00 45.45 C ATOM 154 CG GLN A 320 3.595 8.388 -7.199 1.00 65.14 C ATOM 155 CD GLN A 320 3.131 9.233 -6.030 1.00 3.41 C ATOM 156 OE1 GLN A 320 3.944 9.763 -5.271 1.00 55.30 O ATOM 157 NE2 GLN A 320 1.819 9.365 -5.878 1.00 33.41 N ATOM 0 H GLN A 320 5.564 7.953 -9.473 1.00 23.32 H new ATOM 0 HA GLN A 320 4.878 10.622 -9.505 1.00 73.02 H new ATOM 0 HB2 GLN A 320 2.872 9.933 -8.491 1.00 45.45 H new ATOM 0 HB3 GLN A 320 3.427 8.497 -9.329 1.00 45.45 H new ATOM 0 HG2 GLN A 320 2.922 7.539 -7.318 1.00 65.14 H new ATOM 0 HG3 GLN A 320 4.583 7.983 -6.980 1.00 65.14 H new ATOM 0 HE21 GLN A 320 1.182 8.908 -6.530 1.00 33.41 H new ATOM 0 HE22 GLN A 320 1.448 9.923 -5.109 1.00 33.41 H new ATOM 166 N GLU A 321 6.284 9.722 -6.699 1.00 61.51 N ATOM 167 CA GLU A 321 6.835 10.217 -5.443 1.00 44.45 C ATOM 168 C GLU A 321 8.040 11.119 -5.697 1.00 10.33 C ATOM 169 O GLU A 321 8.251 12.103 -4.988 1.00 22.31 O ATOM 170 CB GLU A 321 7.240 9.049 -4.542 1.00 13.23 C ATOM 171 CG GLU A 321 7.523 9.458 -3.106 1.00 41.31 C ATOM 172 CD GLU A 321 6.270 9.873 -2.359 1.00 61.33 C ATOM 173 OE1 GLU A 321 6.295 10.936 -1.705 1.00 54.30 O ATOM 174 OE2 GLU A 321 5.266 9.134 -2.429 1.00 13.12 O ATOM 0 H GLU A 321 6.540 8.760 -6.922 1.00 61.51 H new ATOM 0 HA GLU A 321 6.063 10.801 -4.942 1.00 44.45 H new ATOM 0 HB2 GLU A 321 6.445 8.303 -4.549 1.00 13.23 H new ATOM 0 HB3 GLU A 321 8.128 8.572 -4.957 1.00 13.23 H new ATOM 0 HG2 GLU A 321 7.995 8.627 -2.582 1.00 41.31 H new ATOM 0 HG3 GLU A 321 8.235 10.284 -3.101 1.00 41.31 H new ATOM 181 N GLU A 322 8.826 10.776 -6.712 1.00 62.51 N ATOM 182 CA GLU A 322 10.010 11.553 -7.058 1.00 3.33 C ATOM 183 C GLU A 322 9.620 12.883 -7.696 1.00 43.25 C ATOM 184 O GLU A 322 10.053 13.947 -7.253 1.00 54.21 O ATOM 185 CB GLU A 322 10.908 10.761 -8.011 1.00 12.03 C ATOM 186 CG GLU A 322 12.029 10.013 -7.310 1.00 21.32 C ATOM 187 CD GLU A 322 11.526 8.835 -6.498 1.00 21.10 C ATOM 188 OE1 GLU A 322 11.889 7.687 -6.831 1.00 44.30 O ATOM 189 OE2 GLU A 322 10.770 9.060 -5.530 1.00 54.15 O ATOM 0 H GLU A 322 8.664 9.965 -7.309 1.00 62.51 H new ATOM 0 HA GLU A 322 10.560 11.757 -6.139 1.00 3.33 H new ATOM 0 HB2 GLU A 322 10.297 10.048 -8.564 1.00 12.03 H new ATOM 0 HB3 GLU A 322 11.340 11.445 -8.742 1.00 12.03 H new ATOM 0 HG2 GLU A 322 12.744 9.659 -8.052 1.00 21.32 H new ATOM 0 HG3 GLU A 322 12.564 10.700 -6.654 1.00 21.32 H new ATOM 196 N ARG A 323 8.801 12.814 -8.741 1.00 21.43 N ATOM 197 CA ARG A 323 8.354 14.011 -9.442 1.00 50.00 C ATOM 198 C ARG A 323 7.727 15.007 -8.471 1.00 41.52 C ATOM 199 O ARG A 323 7.906 16.219 -8.607 1.00 35.34 O ATOM 200 CB ARG A 323 7.347 13.643 -10.533 1.00 34.32 C ATOM 201 CG ARG A 323 6.072 13.012 -9.997 1.00 12.12 C ATOM 202 CD ARG A 323 5.124 12.628 -11.122 1.00 42.14 C ATOM 203 NE ARG A 323 4.876 13.743 -12.033 1.00 62.52 N ATOM 204 CZ ARG A 323 4.300 13.606 -13.222 1.00 62.43 C ATOM 205 NH1 ARG A 323 3.914 12.409 -13.642 1.00 25.51 N ATOM 206 NH2 ARG A 323 4.109 14.668 -13.994 1.00 74.33 N ATOM 0 H ARG A 323 8.434 11.941 -9.120 1.00 21.43 H new ATOM 0 HA ARG A 323 9.224 14.478 -9.903 1.00 50.00 H new ATOM 0 HB2 ARG A 323 7.090 14.540 -11.096 1.00 34.32 H new ATOM 0 HB3 ARG A 323 7.818 12.952 -11.232 1.00 34.32 H new ATOM 0 HG2 ARG A 323 6.321 12.127 -9.412 1.00 12.12 H new ATOM 0 HG3 ARG A 323 5.575 13.710 -9.323 1.00 12.12 H new ATOM 0 HD2 ARG A 323 5.543 11.791 -11.680 1.00 42.14 H new ATOM 0 HD3 ARG A 323 4.179 12.288 -10.699 1.00 42.14 H new ATOM 0 HE ARG A 323 5.161 14.678 -11.740 1.00 62.52 H new ATOM 0 HH11 ARG A 323 4.059 11.590 -13.051 1.00 25.51 H new ATOM 0 HH12 ARG A 323 3.472 12.307 -14.556 1.00 25.51 H new ATOM 0 HH21 ARG A 323 4.405 15.590 -13.675 1.00 74.33 H new ATOM 0 HH22 ARG A 323 3.667 14.562 -14.907 1.00 74.33 H new ATOM 220 N LEU A 324 6.992 14.490 -7.493 1.00 42.01 N ATOM 221 CA LEU A 324 6.338 15.334 -6.499 1.00 71.02 C ATOM 222 C LEU A 324 7.356 15.915 -5.523 1.00 50.54 C ATOM 223 O LEU A 324 7.248 17.071 -5.114 1.00 20.23 O ATOM 224 CB LEU A 324 5.283 14.532 -5.735 1.00 72.14 C ATOM 225 CG LEU A 324 3.834 14.731 -6.183 1.00 3.43 C ATOM 226 CD1 LEU A 324 3.681 14.400 -7.659 1.00 41.20 C ATOM 227 CD2 LEU A 324 2.895 13.879 -5.343 1.00 35.24 C ATOM 0 H LEU A 324 6.834 13.490 -7.367 1.00 42.01 H new ATOM 0 HA LEU A 324 5.852 16.158 -7.022 1.00 71.02 H new ATOM 0 HB2 LEU A 324 5.527 13.473 -5.822 1.00 72.14 H new ATOM 0 HB3 LEU A 324 5.354 14.790 -4.678 1.00 72.14 H new ATOM 0 HG LEU A 324 3.570 15.778 -6.038 1.00 3.43 H new ATOM 0 HD11 LEU A 324 2.644 14.547 -7.959 1.00 41.20 H new ATOM 0 HD12 LEU A 324 4.325 15.053 -8.247 1.00 41.20 H new ATOM 0 HD13 LEU A 324 3.964 13.361 -7.830 1.00 41.20 H new ATOM 0 HD21 LEU A 324 1.868 14.033 -5.675 1.00 35.24 H new ATOM 0 HD22 LEU A 324 3.159 12.827 -5.456 1.00 35.24 H new ATOM 0 HD23 LEU A 324 2.984 14.165 -4.295 1.00 35.24 H new ATOM 239 N ALA A 325 8.345 15.107 -5.157 1.00 43.31 N ATOM 240 CA ALA A 325 9.385 15.543 -4.233 1.00 62.12 C ATOM 241 C ALA A 325 10.045 16.830 -4.716 1.00 53.13 C ATOM 242 O ALA A 325 10.367 17.711 -3.919 1.00 31.12 O ATOM 243 CB ALA A 325 10.427 14.448 -4.057 1.00 32.13 C ATOM 0 H ALA A 325 8.448 14.147 -5.486 1.00 43.31 H new ATOM 0 HA ALA A 325 8.918 15.745 -3.269 1.00 62.12 H new ATOM 0 HB1 ALA A 325 11.198 14.787 -3.365 1.00 32.13 H new ATOM 0 HB2 ALA A 325 9.950 13.552 -3.659 1.00 32.13 H new ATOM 0 HB3 ALA A 325 10.881 14.219 -5.021 1.00 32.13 H new ATOM 249 N ASP A 326 10.243 16.932 -6.026 1.00 3.12 N ATOM 250 CA ASP A 326 10.865 18.112 -6.615 1.00 54.43 C ATOM 251 C ASP A 326 9.911 19.303 -6.580 1.00 45.00 C ATOM 252 O ASP A 326 10.332 20.443 -6.375 1.00 71.43 O ATOM 253 CB ASP A 326 11.289 17.826 -8.056 1.00 60.44 C ATOM 254 CG ASP A 326 12.409 16.808 -8.138 1.00 64.43 C ATOM 255 OD1 ASP A 326 12.857 16.508 -9.265 1.00 32.43 O ATOM 256 OD2 ASP A 326 12.838 16.310 -7.076 1.00 3.01 O ATOM 0 H ASP A 326 9.982 16.212 -6.700 1.00 3.12 H new ATOM 0 HA ASP A 326 11.749 18.359 -6.027 1.00 54.43 H new ATOM 0 HB2 ASP A 326 10.430 17.463 -8.619 1.00 60.44 H new ATOM 0 HB3 ASP A 326 11.610 18.754 -8.528 1.00 60.44 H new ATOM 261 N LEU A 327 8.627 19.032 -6.782 1.00 32.13 N ATOM 262 CA LEU A 327 7.613 20.081 -6.774 1.00 41.01 C ATOM 263 C LEU A 327 7.582 20.798 -5.428 1.00 51.33 C ATOM 264 O LEU A 327 7.363 22.007 -5.363 1.00 55.42 O ATOM 265 CB LEU A 327 6.236 19.489 -7.082 1.00 4.44 C ATOM 266 CG LEU A 327 5.839 19.446 -8.558 1.00 11.05 C ATOM 267 CD1 LEU A 327 4.485 18.775 -8.726 1.00 73.21 C ATOM 268 CD2 LEU A 327 5.817 20.849 -9.146 1.00 5.44 C ATOM 0 H LEU A 327 8.263 18.095 -6.953 1.00 32.13 H new ATOM 0 HA LEU A 327 7.870 20.807 -7.545 1.00 41.01 H new ATOM 0 HB2 LEU A 327 6.203 18.473 -6.688 1.00 4.44 H new ATOM 0 HB3 LEU A 327 5.486 20.066 -6.541 1.00 4.44 H new ATOM 0 HG LEU A 327 6.583 18.860 -9.098 1.00 11.05 H new ATOM 0 HD11 LEU A 327 4.218 18.753 -9.783 1.00 73.21 H new ATOM 0 HD12 LEU A 327 4.534 17.756 -8.343 1.00 73.21 H new ATOM 0 HD13 LEU A 327 3.731 19.334 -8.173 1.00 73.21 H new ATOM 0 HD21 LEU A 327 5.532 20.799 -10.197 1.00 5.44 H new ATOM 0 HD22 LEU A 327 5.095 21.460 -8.604 1.00 5.44 H new ATOM 0 HD23 LEU A 327 6.808 21.295 -9.059 1.00 5.44 H new ATOM 280 N ALA A 328 7.805 20.045 -4.357 1.00 31.34 N ATOM 281 CA ALA A 328 7.807 20.609 -3.013 1.00 14.12 C ATOM 282 C ALA A 328 8.731 21.819 -2.927 1.00 14.13 C ATOM 283 O ALA A 328 8.394 22.826 -2.305 1.00 14.53 O ATOM 284 CB ALA A 328 8.220 19.554 -1.998 1.00 31.24 C ATOM 0 H ALA A 328 7.987 19.042 -4.394 1.00 31.34 H new ATOM 0 HA ALA A 328 6.794 20.941 -2.784 1.00 14.12 H new ATOM 0 HB1 ALA A 328 8.217 19.990 -0.999 1.00 31.24 H new ATOM 0 HB2 ALA A 328 7.518 18.721 -2.033 1.00 31.24 H new ATOM 0 HB3 ALA A 328 9.222 19.194 -2.234 1.00 31.24 H new ATOM 290 N SER A 329 9.897 21.713 -3.554 1.00 65.33 N ATOM 291 CA SER A 329 10.872 22.797 -3.545 1.00 4.14 C ATOM 292 C SER A 329 10.481 23.888 -4.536 1.00 40.34 C ATOM 293 O SER A 329 10.683 25.076 -4.281 1.00 74.23 O ATOM 294 CB SER A 329 12.265 22.262 -3.881 1.00 65.23 C ATOM 295 OG SER A 329 13.229 23.301 -3.864 1.00 72.14 O ATOM 0 H SER A 329 10.190 20.887 -4.075 1.00 65.33 H new ATOM 0 HA SER A 329 10.888 23.229 -2.544 1.00 4.14 H new ATOM 0 HB2 SER A 329 12.544 21.491 -3.163 1.00 65.23 H new ATOM 0 HB3 SER A 329 12.250 21.792 -4.864 1.00 65.23 H new ATOM 0 HG SER A 329 14.111 22.933 -4.080 1.00 72.14 H new ATOM 301 N ASP A 330 9.921 23.477 -5.668 1.00 74.33 N ATOM 302 CA ASP A 330 9.499 24.418 -6.699 1.00 64.14 C ATOM 303 C ASP A 330 8.606 25.505 -6.110 1.00 43.43 C ATOM 304 O ASP A 330 8.952 26.688 -6.134 1.00 34.42 O ATOM 305 CB ASP A 330 8.759 23.684 -7.819 1.00 24.23 C ATOM 306 CG ASP A 330 8.603 24.534 -9.064 1.00 65.23 C ATOM 307 OD1 ASP A 330 7.563 25.212 -9.194 1.00 14.13 O ATOM 308 OD2 ASP A 330 9.523 24.521 -9.909 1.00 54.53 O ATOM 0 H ASP A 330 9.749 22.498 -5.895 1.00 74.33 H new ATOM 0 HA ASP A 330 10.391 24.889 -7.112 1.00 64.14 H new ATOM 0 HB2 ASP A 330 9.300 22.772 -8.071 1.00 24.23 H new ATOM 0 HB3 ASP A 330 7.774 23.382 -7.463 1.00 24.23 H new ATOM 313 N LEU A 331 7.457 25.099 -5.584 1.00 34.53 N ATOM 314 CA LEU A 331 6.512 26.038 -4.989 1.00 4.30 C ATOM 315 C LEU A 331 7.204 26.926 -3.959 1.00 55.43 C ATOM 316 O LEU A 331 6.888 28.110 -3.833 1.00 12.30 O ATOM 317 CB LEU A 331 5.355 25.283 -4.333 1.00 24.30 C ATOM 318 CG LEU A 331 5.692 24.523 -3.050 1.00 31.35 C ATOM 319 CD1 LEU A 331 5.490 25.413 -1.833 1.00 41.24 C ATOM 320 CD2 LEU A 331 4.845 23.264 -2.938 1.00 35.35 C ATOM 0 H LEU A 331 7.156 24.125 -5.557 1.00 34.53 H new ATOM 0 HA LEU A 331 6.119 26.672 -5.784 1.00 4.30 H new ATOM 0 HB2 LEU A 331 4.561 25.996 -4.111 1.00 24.30 H new ATOM 0 HB3 LEU A 331 4.953 24.574 -5.057 1.00 24.30 H new ATOM 0 HG LEU A 331 6.741 24.229 -3.090 1.00 31.35 H new ATOM 0 HD11 LEU A 331 5.735 24.855 -0.929 1.00 41.24 H new ATOM 0 HD12 LEU A 331 6.140 26.285 -1.908 1.00 41.24 H new ATOM 0 HD13 LEU A 331 4.451 25.738 -1.788 1.00 41.24 H new ATOM 0 HD21 LEU A 331 5.098 22.736 -2.019 1.00 35.35 H new ATOM 0 HD22 LEU A 331 3.790 23.536 -2.921 1.00 35.35 H new ATOM 0 HD23 LEU A 331 5.040 22.617 -3.794 1.00 35.35 H new ATOM 332 N LEU A 332 8.149 26.348 -3.227 1.00 1.41 N ATOM 333 CA LEU A 332 8.888 27.088 -2.209 1.00 74.11 C ATOM 334 C LEU A 332 9.475 28.372 -2.787 1.00 72.53 C ATOM 335 O LEU A 332 9.112 29.474 -2.375 1.00 34.11 O ATOM 336 CB LEU A 332 10.005 26.219 -1.629 1.00 33.30 C ATOM 337 CG LEU A 332 10.440 26.550 -0.201 1.00 44.33 C ATOM 338 CD1 LEU A 332 10.975 25.309 0.496 1.00 61.25 C ATOM 339 CD2 LEU A 332 11.488 27.654 -0.206 1.00 53.31 C ATOM 0 H LEU A 332 8.422 25.370 -3.319 1.00 1.41 H new ATOM 0 HA LEU A 332 8.193 27.355 -1.413 1.00 74.11 H new ATOM 0 HB2 LEU A 332 9.680 25.179 -1.657 1.00 33.30 H new ATOM 0 HB3 LEU A 332 10.875 26.299 -2.280 1.00 33.30 H new ATOM 0 HG LEU A 332 9.569 26.904 0.351 1.00 44.33 H new ATOM 0 HD11 LEU A 332 11.280 25.565 1.511 1.00 61.25 H new ATOM 0 HD12 LEU A 332 10.196 24.547 0.532 1.00 61.25 H new ATOM 0 HD13 LEU A 332 11.834 24.924 -0.054 1.00 61.25 H new ATOM 0 HD21 LEU A 332 11.786 27.877 0.818 1.00 53.31 H new ATOM 0 HD22 LEU A 332 12.359 27.327 -0.774 1.00 53.31 H new ATOM 0 HD23 LEU A 332 11.071 28.550 -0.666 1.00 53.31 H new ATOM 351 N LEU A 333 10.382 28.221 -3.746 1.00 3.43 N ATOM 352 CA LEU A 333 11.019 29.369 -4.383 1.00 73.13 C ATOM 353 C LEU A 333 9.991 30.223 -5.118 1.00 15.32 C ATOM 354 O LEU A 333 10.096 31.449 -5.147 1.00 41.00 O ATOM 355 CB LEU A 333 12.100 28.901 -5.359 1.00 32.52 C ATOM 356 CG LEU A 333 13.038 29.984 -5.891 1.00 64.13 C ATOM 357 CD1 LEU A 333 14.355 29.373 -6.347 1.00 14.33 C ATOM 358 CD2 LEU A 333 12.380 30.747 -7.031 1.00 53.02 C ATOM 0 H LEU A 333 10.693 27.316 -4.099 1.00 3.43 H new ATOM 0 HA LEU A 333 11.479 29.976 -3.604 1.00 73.13 H new ATOM 0 HB2 LEU A 333 12.702 28.138 -4.865 1.00 32.52 H new ATOM 0 HB3 LEU A 333 11.612 28.422 -6.208 1.00 32.52 H new ATOM 0 HG LEU A 333 13.246 30.686 -5.083 1.00 64.13 H new ATOM 0 HD11 LEU A 333 15.010 30.159 -6.723 1.00 14.33 H new ATOM 0 HD12 LEU A 333 14.834 28.872 -5.506 1.00 14.33 H new ATOM 0 HD13 LEU A 333 14.165 28.649 -7.140 1.00 14.33 H new ATOM 0 HD21 LEU A 333 13.062 31.514 -7.397 1.00 53.02 H new ATOM 0 HD22 LEU A 333 12.141 30.057 -7.841 1.00 53.02 H new ATOM 0 HD23 LEU A 333 11.464 31.217 -6.673 1.00 53.02 H new ATOM 370 N GLN A 334 8.996 29.567 -5.707 1.00 43.25 N ATOM 371 CA GLN A 334 7.948 30.268 -6.440 1.00 63.44 C ATOM 372 C GLN A 334 7.332 31.371 -5.587 1.00 52.33 C ATOM 373 O GLN A 334 7.055 32.466 -6.077 1.00 15.41 O ATOM 374 CB GLN A 334 6.864 29.285 -6.885 1.00 71.25 C ATOM 375 CG GLN A 334 5.632 29.960 -7.466 1.00 12.23 C ATOM 376 CD GLN A 334 5.109 29.257 -8.703 1.00 43.42 C ATOM 377 OE1 GLN A 334 4.024 28.676 -8.689 1.00 60.23 O ATOM 378 NE2 GLN A 334 5.881 29.307 -9.783 1.00 13.42 N ATOM 0 H GLN A 334 8.894 28.552 -5.691 1.00 43.25 H new ATOM 0 HA GLN A 334 8.398 30.725 -7.321 1.00 63.44 H new ATOM 0 HB2 GLN A 334 7.283 28.608 -7.630 1.00 71.25 H new ATOM 0 HB3 GLN A 334 6.566 28.675 -6.032 1.00 71.25 H new ATOM 0 HG2 GLN A 334 4.847 29.988 -6.710 1.00 12.23 H new ATOM 0 HG3 GLN A 334 5.872 30.994 -7.715 1.00 12.23 H new ATOM 0 HE21 GLN A 334 6.773 29.800 -9.750 1.00 13.42 H new ATOM 0 HE22 GLN A 334 5.581 28.852 -10.646 1.00 13.42 H new ATOM 387 N TYR A 335 7.120 31.076 -4.310 1.00 34.32 N ATOM 388 CA TYR A 335 6.533 32.042 -3.389 1.00 1.11 C ATOM 389 C TYR A 335 7.364 33.321 -3.339 1.00 74.23 C ATOM 390 O TYR A 335 6.824 34.422 -3.219 1.00 21.44 O ATOM 391 CB TYR A 335 6.420 31.439 -1.988 1.00 3.34 C ATOM 392 CG TYR A 335 5.405 32.135 -1.109 1.00 62.01 C ATOM 393 CD1 TYR A 335 5.728 33.305 -0.434 1.00 4.54 C ATOM 394 CD2 TYR A 335 4.124 31.622 -0.954 1.00 34.33 C ATOM 395 CE1 TYR A 335 4.805 33.944 0.371 1.00 54.32 C ATOM 396 CE2 TYR A 335 3.193 32.255 -0.153 1.00 31.53 C ATOM 397 CZ TYR A 335 3.538 33.415 0.508 1.00 42.34 C ATOM 398 OH TYR A 335 2.614 34.048 1.308 1.00 64.14 O ATOM 0 H TYR A 335 7.346 30.175 -3.888 1.00 34.32 H new ATOM 0 HA TYR A 335 5.536 32.292 -3.751 1.00 1.11 H new ATOM 0 HB2 TYR A 335 6.151 30.386 -2.075 1.00 3.34 H new ATOM 0 HB3 TYR A 335 7.396 31.480 -1.504 1.00 3.34 H new ATOM 0 HD1 TYR A 335 6.718 33.723 -0.540 1.00 4.54 H new ATOM 0 HD2 TYR A 335 3.851 30.713 -1.468 1.00 34.33 H new ATOM 0 HE1 TYR A 335 5.073 34.852 0.890 1.00 54.32 H new ATOM 0 HE2 TYR A 335 2.200 31.843 -0.045 1.00 31.53 H new ATOM 0 HH TYR A 335 1.772 33.547 1.295 1.00 64.14 H new ATOM 408 N LEU A 336 8.680 33.167 -3.434 1.00 13.51 N ATOM 409 CA LEU A 336 9.587 34.309 -3.401 1.00 4.12 C ATOM 410 C LEU A 336 9.302 35.266 -4.554 1.00 75.40 C ATOM 411 O LEU A 336 8.848 36.391 -4.343 1.00 54.13 O ATOM 412 CB LEU A 336 11.040 33.833 -3.466 1.00 53.11 C ATOM 413 CG LEU A 336 11.393 32.632 -2.588 1.00 14.34 C ATOM 414 CD1 LEU A 336 12.875 32.311 -2.694 1.00 22.33 C ATOM 415 CD2 LEU A 336 11.005 32.898 -1.140 1.00 52.13 C ATOM 0 H LEU A 336 9.143 32.263 -3.534 1.00 13.51 H new ATOM 0 HA LEU A 336 9.426 34.842 -2.464 1.00 4.12 H new ATOM 0 HB2 LEU A 336 11.273 33.582 -4.501 1.00 53.11 H new ATOM 0 HB3 LEU A 336 11.687 34.665 -3.186 1.00 53.11 H new ATOM 0 HG LEU A 336 10.829 31.769 -2.942 1.00 14.34 H new ATOM 0 HD11 LEU A 336 13.108 31.454 -2.062 1.00 22.33 H new ATOM 0 HD12 LEU A 336 13.124 32.077 -3.729 1.00 22.33 H new ATOM 0 HD13 LEU A 336 13.458 33.172 -2.366 1.00 22.33 H new ATOM 0 HD21 LEU A 336 11.263 32.033 -0.529 1.00 52.13 H new ATOM 0 HD22 LEU A 336 11.542 33.774 -0.774 1.00 52.13 H new ATOM 0 HD23 LEU A 336 9.932 33.078 -1.078 1.00 52.13 H new ATOM 427 N LEU A 337 9.568 34.810 -5.773 1.00 51.32 N ATOM 428 CA LEU A 337 9.337 35.625 -6.961 1.00 62.34 C ATOM 429 C LEU A 337 7.877 36.057 -7.050 1.00 2.41 C ATOM 430 O LEU A 337 7.580 37.216 -7.339 1.00 44.13 O ATOM 431 CB LEU A 337 9.728 34.848 -8.220 1.00 30.01 C ATOM 432 CG LEU A 337 9.514 35.573 -9.549 1.00 62.43 C ATOM 433 CD1 LEU A 337 10.534 35.111 -10.579 1.00 33.11 C ATOM 434 CD2 LEU A 337 8.098 35.345 -10.059 1.00 4.31 C ATOM 0 H LEU A 337 9.943 33.881 -5.965 1.00 51.32 H new ATOM 0 HA LEU A 337 9.957 36.518 -6.885 1.00 62.34 H new ATOM 0 HB2 LEU A 337 10.781 34.576 -8.143 1.00 30.01 H new ATOM 0 HB3 LEU A 337 9.159 33.918 -8.240 1.00 30.01 H new ATOM 0 HG LEU A 337 9.652 36.642 -9.384 1.00 62.43 H new ATOM 0 HD11 LEU A 337 10.366 35.638 -11.519 1.00 33.11 H new ATOM 0 HD12 LEU A 337 11.539 35.326 -10.217 1.00 33.11 H new ATOM 0 HD13 LEU A 337 10.428 34.038 -10.740 1.00 33.11 H new ATOM 0 HD21 LEU A 337 7.964 35.868 -11.006 1.00 4.31 H new ATOM 0 HD22 LEU A 337 7.932 34.278 -10.207 1.00 4.31 H new ATOM 0 HD23 LEU A 337 7.383 35.725 -9.330 1.00 4.31 H new ATOM 446 N GLN A 338 6.971 35.119 -6.797 1.00 32.23 N ATOM 447 CA GLN A 338 5.542 35.404 -6.846 1.00 52.35 C ATOM 448 C GLN A 338 5.199 36.620 -5.992 1.00 5.21 C ATOM 449 O GLN A 338 4.331 37.416 -6.346 1.00 71.04 O ATOM 450 CB GLN A 338 4.741 34.191 -6.372 1.00 30.43 C ATOM 451 CG GLN A 338 3.243 34.326 -6.591 1.00 51.51 C ATOM 452 CD GLN A 338 2.513 33.003 -6.473 1.00 64.25 C ATOM 453 OE1 GLN A 338 1.622 32.844 -5.639 1.00 54.22 O ATOM 454 NE2 GLN A 338 2.889 32.043 -7.311 1.00 0.12 N ATOM 0 H GLN A 338 7.201 34.155 -6.556 1.00 32.23 H new ATOM 0 HA GLN A 338 5.277 35.623 -7.880 1.00 52.35 H new ATOM 0 HB2 GLN A 338 5.098 33.304 -6.895 1.00 30.43 H new ATOM 0 HB3 GLN A 338 4.932 34.033 -5.310 1.00 30.43 H new ATOM 0 HG2 GLN A 338 2.835 35.027 -5.863 1.00 51.51 H new ATOM 0 HG3 GLN A 338 3.061 34.750 -7.579 1.00 51.51 H new ATOM 0 HE21 GLN A 338 3.633 32.218 -7.987 1.00 0.12 H new ATOM 0 HE22 GLN A 338 2.434 31.131 -7.279 1.00 0.12 H new ATOM 463 N GLY A 339 5.889 36.757 -4.863 1.00 14.20 N ATOM 464 CA GLY A 339 5.643 37.878 -3.975 1.00 55.30 C ATOM 465 C GLY A 339 6.166 39.186 -4.534 1.00 42.40 C ATOM 466 O GLY A 339 5.406 40.132 -4.736 1.00 75.13 O ATOM 0 H GLY A 339 6.613 36.112 -4.548 1.00 14.20 H new ATOM 0 HA2 GLY A 339 4.572 37.966 -3.794 1.00 55.30 H new ATOM 0 HA3 GLY A 339 6.114 37.684 -3.011 1.00 55.30 H new ATOM 470 N GLY A 340 7.471 39.242 -4.783 1.00 61.22 N ATOM 471 CA GLY A 340 8.074 40.449 -5.318 1.00 33.11 C ATOM 472 C GLY A 340 7.432 40.890 -6.619 1.00 23.23 C ATOM 473 O GLY A 340 7.232 42.082 -6.846 1.00 55.34 O ATOM 0 H GLY A 340 8.122 38.473 -4.624 1.00 61.22 H new ATOM 0 HA2 GLY A 340 7.988 41.250 -4.584 1.00 33.11 H new ATOM 0 HA3 GLY A 340 9.138 40.278 -5.481 1.00 33.11 H new ATOM 477 N ALA A 341 7.111 39.926 -7.475 1.00 65.51 N ATOM 478 CA ALA A 341 6.489 40.221 -8.760 1.00 21.33 C ATOM 479 C ALA A 341 5.191 40.998 -8.575 1.00 15.43 C ATOM 480 O ALA A 341 4.860 41.873 -9.376 1.00 61.41 O ATOM 481 CB ALA A 341 6.231 38.934 -9.529 1.00 73.30 C ATOM 0 H ALA A 341 7.271 38.934 -7.302 1.00 65.51 H new ATOM 0 HA ALA A 341 7.176 40.843 -9.334 1.00 21.33 H new ATOM 0 HB1 ALA A 341 5.766 39.169 -10.487 1.00 73.30 H new ATOM 0 HB2 ALA A 341 7.175 38.417 -9.701 1.00 73.30 H new ATOM 0 HB3 ALA A 341 5.566 38.292 -8.951 1.00 73.30 H new ATOM 487 N ARG A 342 4.458 40.674 -7.514 1.00 51.24 N ATOM 488 CA ARG A 342 3.194 41.342 -7.226 1.00 22.41 C ATOM 489 C ARG A 342 3.434 42.711 -6.598 1.00 12.43 C ATOM 490 O ARG A 342 2.697 43.662 -6.860 1.00 31.44 O ATOM 491 CB ARG A 342 2.341 40.482 -6.291 1.00 51.22 C ATOM 492 CG ARG A 342 1.680 39.301 -6.983 1.00 44.22 C ATOM 493 CD ARG A 342 0.643 38.640 -6.089 1.00 4.03 C ATOM 494 NE ARG A 342 -0.438 38.033 -6.860 1.00 64.33 N ATOM 495 CZ ARG A 342 -0.347 36.841 -7.440 1.00 33.34 C ATOM 496 NH1 ARG A 342 0.768 36.132 -7.335 1.00 22.22 N ATOM 497 NH2 ARG A 342 -1.375 36.355 -8.125 1.00 45.31 N ATOM 0 H ARG A 342 4.718 39.954 -6.840 1.00 51.24 H new ATOM 0 HA ARG A 342 2.662 41.482 -8.167 1.00 22.41 H new ATOM 0 HB2 ARG A 342 2.967 40.112 -5.479 1.00 51.22 H new ATOM 0 HB3 ARG A 342 1.570 41.106 -5.840 1.00 51.22 H new ATOM 0 HG2 ARG A 342 1.206 39.637 -7.905 1.00 44.22 H new ATOM 0 HG3 ARG A 342 2.439 38.571 -7.263 1.00 44.22 H new ATOM 0 HD2 ARG A 342 1.125 37.877 -5.478 1.00 4.03 H new ATOM 0 HD3 ARG A 342 0.229 39.381 -5.405 1.00 4.03 H new ATOM 0 HE ARG A 342 -1.310 38.552 -6.959 1.00 64.33 H new ATOM 0 HH11 ARG A 342 1.559 36.501 -6.808 1.00 22.22 H new ATOM 0 HH12 ARG A 342 0.835 35.217 -7.781 1.00 22.22 H new ATOM 0 HH21 ARG A 342 -2.235 36.897 -8.206 1.00 45.31 H new ATOM 0 HH22 ARG A 342 -1.304 35.440 -8.570 1.00 45.31 H new ATOM 511 N GLN A 343 4.468 42.804 -5.768 1.00 61.52 N ATOM 512 CA GLN A 343 4.803 44.057 -5.102 1.00 63.41 C ATOM 513 C GLN A 343 5.021 45.172 -6.119 1.00 2.20 C ATOM 514 O GLN A 343 4.461 46.261 -5.990 1.00 21.11 O ATOM 515 CB GLN A 343 6.056 43.882 -4.242 1.00 43.32 C ATOM 516 CG GLN A 343 5.807 43.121 -2.950 1.00 74.25 C ATOM 517 CD GLN A 343 4.753 43.777 -2.080 1.00 41.33 C ATOM 518 OE1 GLN A 343 4.751 44.996 -1.901 1.00 34.41 O ATOM 519 NE2 GLN A 343 3.850 42.972 -1.534 1.00 71.41 N ATOM 0 H GLN A 343 5.088 42.027 -5.541 1.00 61.52 H new ATOM 0 HA GLN A 343 3.966 44.334 -4.460 1.00 63.41 H new ATOM 0 HB2 GLN A 343 6.814 43.357 -4.823 1.00 43.32 H new ATOM 0 HB3 GLN A 343 6.462 44.865 -4.002 1.00 43.32 H new ATOM 0 HG2 GLN A 343 5.496 42.104 -3.186 1.00 74.25 H new ATOM 0 HG3 GLN A 343 6.740 43.047 -2.391 1.00 74.25 H new ATOM 0 HE21 GLN A 343 3.890 41.968 -1.709 1.00 71.41 H new ATOM 0 HE22 GLN A 343 3.117 43.357 -0.939 1.00 71.41 H new ATOM 528 N ARG A 344 5.838 44.894 -7.129 1.00 64.14 N ATOM 529 CA ARG A 344 6.131 45.875 -8.167 1.00 64.35 C ATOM 530 C ARG A 344 4.845 46.392 -8.806 1.00 23.35 C ATOM 531 O ARG A 344 4.734 47.572 -9.134 1.00 0.24 O ATOM 532 CB ARG A 344 7.034 45.260 -9.239 1.00 51.51 C ATOM 533 CG ARG A 344 8.512 45.307 -8.890 1.00 24.21 C ATOM 534 CD ARG A 344 9.332 44.422 -9.816 1.00 74.33 C ATOM 535 NE ARG A 344 10.720 44.865 -9.910 1.00 60.33 N ATOM 536 CZ ARG A 344 11.701 44.111 -10.394 1.00 71.21 C ATOM 537 NH1 ARG A 344 11.447 42.883 -10.826 1.00 14.22 N ATOM 538 NH2 ARG A 344 12.939 44.585 -10.447 1.00 61.32 N ATOM 0 H ARG A 344 6.309 43.997 -7.251 1.00 64.14 H new ATOM 0 HA ARG A 344 6.648 46.714 -7.703 1.00 64.35 H new ATOM 0 HB2 ARG A 344 6.740 44.223 -9.398 1.00 51.51 H new ATOM 0 HB3 ARG A 344 6.875 45.785 -10.181 1.00 51.51 H new ATOM 0 HG2 ARG A 344 8.870 46.334 -8.956 1.00 24.21 H new ATOM 0 HG3 ARG A 344 8.654 44.986 -7.858 1.00 24.21 H new ATOM 0 HD2 ARG A 344 9.303 43.394 -9.454 1.00 74.33 H new ATOM 0 HD3 ARG A 344 8.883 44.423 -10.809 1.00 74.33 H new ATOM 0 HE ARG A 344 10.949 45.805 -9.586 1.00 60.33 H new ATOM 0 HH11 ARG A 344 10.496 42.515 -10.787 1.00 14.22 H new ATOM 0 HH12 ARG A 344 12.202 42.307 -11.197 1.00 14.22 H new ATOM 0 HH21 ARG A 344 13.138 45.529 -10.116 1.00 61.32 H new ATOM 0 HH22 ARG A 344 13.692 44.005 -10.819 1.00 61.32 H new ATOM 552 N GLY A 345 3.876 45.498 -8.979 1.00 12.31 N ATOM 553 CA GLY A 345 2.611 45.883 -9.577 1.00 60.15 C ATOM 554 C GLY A 345 1.880 46.932 -8.764 1.00 34.24 C ATOM 555 O GLY A 345 1.755 48.082 -9.187 1.00 74.44 O ATOM 0 H GLY A 345 3.944 44.515 -8.716 1.00 12.31 H new ATOM 0 HA2 GLY A 345 2.789 46.266 -10.582 1.00 60.15 H new ATOM 0 HA3 GLY A 345 1.978 45.001 -9.680 1.00 60.15 H new ATOM 559 N LEU A 346 1.393 46.536 -7.592 1.00 42.34 N ATOM 560 CA LEU A 346 0.668 47.451 -6.717 1.00 21.31 C ATOM 561 C LEU A 346 0.945 47.135 -5.251 1.00 34.35 C ATOM 562 O LEU A 346 1.068 45.972 -4.868 1.00 44.01 O ATOM 563 CB LEU A 346 -0.834 47.369 -6.994 1.00 12.25 C ATOM 564 CG LEU A 346 -1.737 48.141 -6.030 1.00 62.41 C ATOM 565 CD1 LEU A 346 -1.409 49.625 -6.064 1.00 51.25 C ATOM 566 CD2 LEU A 346 -3.202 47.908 -6.370 1.00 22.10 C ATOM 0 H LEU A 346 1.487 45.588 -7.227 1.00 42.34 H new ATOM 0 HA LEU A 346 1.014 48.464 -6.923 1.00 21.31 H new ATOM 0 HB2 LEU A 346 -1.018 47.735 -8.004 1.00 12.25 H new ATOM 0 HB3 LEU A 346 -1.130 46.320 -6.976 1.00 12.25 H new ATOM 0 HG LEU A 346 -1.556 47.774 -5.020 1.00 62.41 H new ATOM 0 HD11 LEU A 346 -2.061 50.158 -5.372 1.00 51.25 H new ATOM 0 HD12 LEU A 346 -0.370 49.775 -5.771 1.00 51.25 H new ATOM 0 HD13 LEU A 346 -1.560 50.008 -7.073 1.00 51.25 H new ATOM 0 HD21 LEU A 346 -3.830 48.465 -5.674 1.00 22.10 H new ATOM 0 HD22 LEU A 346 -3.398 48.248 -7.387 1.00 22.10 H new ATOM 0 HD23 LEU A 346 -3.429 46.845 -6.292 1.00 22.10 H new ATOM 578 N GLY A 347 1.038 48.179 -4.433 1.00 2.03 N ATOM 579 CA GLY A 347 1.297 47.992 -3.017 1.00 61.21 C ATOM 580 C GLY A 347 1.832 49.246 -2.355 1.00 23.22 C ATOM 581 O GLY A 347 1.147 49.868 -1.543 1.00 60.13 O ATOM 0 H GLY A 347 0.939 49.151 -4.726 1.00 2.03 H new ATOM 0 HA2 GLY A 347 0.376 47.687 -2.520 1.00 61.21 H new ATOM 0 HA3 GLY A 347 2.014 47.181 -2.886 1.00 61.21 H new TER 585 GLY A 347