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 180:sc= 0 USER MOD Single : A 310 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 314 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 316 GLN : amide:sc= -0.452 X(o=-0.45,f=0) USER MOD Single : A 320 GLN : amide:sc= -2.27 K(o=-2.3,f=-9.9!) USER MOD Single : A 329 SER OG : rot 83:sc= 0.4 USER MOD Single : A 334 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 343 GLN : amide:sc= -0.0173 K(o=-0.017,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 309 1.329 0.000 0.000 1.00 2.00 N ATOM 2 CA SER A 309 2.094 0.002 -1.242 1.00 34.22 C ATOM 3 C SER A 309 3.085 -1.158 -1.271 1.00 54.14 C ATOM 4 O SER A 309 3.990 -1.235 -0.441 1.00 72.13 O ATOM 5 CB SER A 309 2.838 1.328 -1.405 1.00 43.21 C ATOM 6 OG SER A 309 1.946 2.375 -1.746 1.00 45.24 O ATOM 0 HA SER A 309 1.396 -0.119 -2.070 1.00 34.22 H new ATOM 0 HB2 SER A 309 3.356 1.575 -0.478 1.00 43.21 H new ATOM 0 HB3 SER A 309 3.600 1.229 -2.178 1.00 43.21 H new ATOM 0 HG SER A 309 2.446 3.212 -1.843 1.00 45.24 H new ATOM 12 N GLN A 310 2.905 -2.057 -2.234 1.00 1.22 N ATOM 13 CA GLN A 310 3.783 -3.213 -2.372 1.00 34.14 C ATOM 14 C GLN A 310 5.002 -2.873 -3.223 1.00 34.13 C ATOM 15 O GLN A 310 5.090 -1.785 -3.792 1.00 35.53 O ATOM 16 CB GLN A 310 3.022 -4.386 -2.994 1.00 4.42 C ATOM 17 CG GLN A 310 1.921 -4.937 -2.104 1.00 35.33 C ATOM 18 CD GLN A 310 1.037 -5.939 -2.821 1.00 40.43 C ATOM 19 OE1 GLN A 310 0.556 -5.681 -3.925 1.00 43.32 O ATOM 20 NE2 GLN A 310 0.818 -7.090 -2.197 1.00 1.23 N ATOM 0 H GLN A 310 2.160 -2.007 -2.929 1.00 1.22 H new ATOM 0 HA GLN A 310 4.126 -3.498 -1.377 1.00 34.14 H new ATOM 0 HB2 GLN A 310 2.586 -4.065 -3.940 1.00 4.42 H new ATOM 0 HB3 GLN A 310 3.727 -5.185 -3.223 1.00 4.42 H new ATOM 0 HG2 GLN A 310 2.368 -5.412 -1.231 1.00 35.33 H new ATOM 0 HG3 GLN A 310 1.308 -4.113 -1.739 1.00 35.33 H new ATOM 0 HE21 GLN A 310 1.237 -7.262 -1.283 1.00 1.23 H new ATOM 0 HE22 GLN A 310 0.231 -7.802 -2.632 1.00 1.23 H new ATOM 29 N ALA A 311 5.940 -3.811 -3.305 1.00 1.43 N ATOM 30 CA ALA A 311 7.153 -3.611 -4.088 1.00 2.44 C ATOM 31 C ALA A 311 6.823 -3.164 -5.508 1.00 13.44 C ATOM 32 O ALA A 311 7.506 -2.311 -6.074 1.00 32.11 O ATOM 33 CB ALA A 311 7.981 -4.887 -4.113 1.00 41.12 C ATOM 0 H ALA A 311 5.883 -4.716 -2.839 1.00 1.43 H new ATOM 0 HA ALA A 311 7.736 -2.822 -3.613 1.00 2.44 H new ATOM 0 HB1 ALA A 311 8.884 -4.723 -4.701 1.00 41.12 H new ATOM 0 HB2 ALA A 311 8.256 -5.162 -3.095 1.00 41.12 H new ATOM 0 HB3 ALA A 311 7.397 -5.691 -4.561 1.00 41.12 H new ATOM 39 N GLU A 312 5.772 -3.746 -6.077 1.00 13.52 N ATOM 40 CA GLU A 312 5.353 -3.407 -7.432 1.00 12.01 C ATOM 41 C GLU A 312 4.870 -1.961 -7.507 1.00 61.30 C ATOM 42 O GLU A 312 5.413 -1.153 -8.259 1.00 50.14 O ATOM 43 CB GLU A 312 4.243 -4.352 -7.897 1.00 52.44 C ATOM 44 CG GLU A 312 4.555 -5.820 -7.662 1.00 53.01 C ATOM 45 CD GLU A 312 3.465 -6.738 -8.180 1.00 33.21 C ATOM 46 OE1 GLU A 312 2.936 -6.470 -9.279 1.00 42.52 O ATOM 47 OE2 GLU A 312 3.140 -7.725 -7.486 1.00 50.55 O ATOM 0 H GLU A 312 5.196 -4.454 -5.621 1.00 13.52 H new ATOM 0 HA GLU A 312 6.215 -3.518 -8.090 1.00 12.01 H new ATOM 0 HB2 GLU A 312 3.319 -4.098 -7.377 1.00 52.44 H new ATOM 0 HB3 GLU A 312 4.064 -4.193 -8.960 1.00 52.44 H new ATOM 0 HG2 GLU A 312 5.497 -6.070 -8.149 1.00 53.01 H new ATOM 0 HG3 GLU A 312 4.693 -5.992 -6.595 1.00 53.01 H new ATOM 54 N ALA A 313 3.846 -1.644 -6.722 1.00 30.13 N ATOM 55 CA ALA A 313 3.291 -0.297 -6.698 1.00 15.35 C ATOM 56 C ALA A 313 4.366 0.735 -6.374 1.00 61.22 C ATOM 57 O ALA A 313 4.351 1.849 -6.899 1.00 62.20 O ATOM 58 CB ALA A 313 2.155 -0.212 -5.688 1.00 50.04 C ATOM 0 H ALA A 313 3.384 -2.302 -6.094 1.00 30.13 H new ATOM 0 HA ALA A 313 2.899 -0.075 -7.691 1.00 15.35 H new ATOM 0 HB1 ALA A 313 1.750 0.800 -5.681 1.00 50.04 H new ATOM 0 HB2 ALA A 313 1.369 -0.916 -5.964 1.00 50.04 H new ATOM 0 HB3 ALA A 313 2.531 -0.459 -4.695 1.00 50.04 H new ATOM 64 N THR A 314 5.300 0.358 -5.506 1.00 34.51 N ATOM 65 CA THR A 314 6.382 1.250 -5.111 1.00 53.31 C ATOM 66 C THR A 314 7.093 1.825 -6.331 1.00 11.13 C ATOM 67 O THR A 314 7.522 2.979 -6.324 1.00 51.02 O ATOM 68 CB THR A 314 7.412 0.526 -4.224 1.00 40.30 C ATOM 69 OG1 THR A 314 6.780 0.043 -3.034 1.00 32.14 O ATOM 70 CG2 THR A 314 8.557 1.457 -3.854 1.00 52.22 C ATOM 0 H THR A 314 5.328 -0.560 -5.063 1.00 34.51 H new ATOM 0 HA THR A 314 5.930 2.062 -4.541 1.00 53.31 H new ATOM 0 HB THR A 314 7.816 -0.315 -4.787 1.00 40.30 H new ATOM 0 HG1 THR A 314 6.316 -0.798 -3.228 1.00 32.14 H new ATOM 0 HG21 THR A 314 9.272 0.924 -3.227 1.00 52.22 H new ATOM 0 HG22 THR A 314 9.055 1.800 -4.761 1.00 52.22 H new ATOM 0 HG23 THR A 314 8.166 2.316 -3.308 1.00 52.22 H new ATOM 78 N ARG A 315 7.214 1.014 -7.376 1.00 60.33 N ATOM 79 CA ARG A 315 7.874 1.442 -8.604 1.00 1.35 C ATOM 80 C ARG A 315 7.145 2.628 -9.228 1.00 14.45 C ATOM 81 O ARG A 315 7.684 3.732 -9.299 1.00 13.43 O ATOM 82 CB ARG A 315 7.939 0.286 -9.603 1.00 51.44 C ATOM 83 CG ARG A 315 8.787 -0.882 -9.129 1.00 71.40 C ATOM 84 CD ARG A 315 10.270 -0.547 -9.168 1.00 14.12 C ATOM 85 NE ARG A 315 10.780 -0.481 -10.534 1.00 43.34 N ATOM 86 CZ ARG A 315 12.073 -0.425 -10.834 1.00 2.31 C ATOM 87 NH1 ARG A 315 12.982 -0.427 -9.868 1.00 35.30 N ATOM 88 NH2 ARG A 315 12.460 -0.366 -12.102 1.00 31.42 N ATOM 0 H ARG A 315 6.864 0.056 -7.397 1.00 60.33 H new ATOM 0 HA ARG A 315 8.888 1.753 -8.352 1.00 1.35 H new ATOM 0 HB2 ARG A 315 6.928 -0.068 -9.802 1.00 51.44 H new ATOM 0 HB3 ARG A 315 8.340 0.655 -10.547 1.00 51.44 H new ATOM 0 HG2 ARG A 315 8.501 -1.152 -8.112 1.00 71.40 H new ATOM 0 HG3 ARG A 315 8.593 -1.752 -9.756 1.00 71.40 H new ATOM 0 HD2 ARG A 315 10.439 0.408 -8.671 1.00 14.12 H new ATOM 0 HD3 ARG A 315 10.826 -1.299 -8.609 1.00 14.12 H new ATOM 0 HE ARG A 315 10.107 -0.478 -11.300 1.00 43.34 H new ATOM 0 HH11 ARG A 315 12.689 -0.472 -8.892 1.00 35.30 H new ATOM 0 HH12 ARG A 315 13.974 -0.384 -10.101 1.00 35.30 H new ATOM 0 HH21 ARG A 315 11.764 -0.364 -12.848 1.00 31.42 H new ATOM 0 HH22 ARG A 315 13.453 -0.323 -12.331 1.00 31.42 H new ATOM 102 N GLN A 316 5.917 2.391 -9.678 1.00 11.10 N ATOM 103 CA GLN A 316 5.115 3.440 -10.297 1.00 32.30 C ATOM 104 C GLN A 316 4.999 4.651 -9.377 1.00 71.23 C ATOM 105 O GLN A 316 4.987 5.792 -9.837 1.00 3.33 O ATOM 106 CB GLN A 316 3.722 2.910 -10.640 1.00 75.21 C ATOM 107 CG GLN A 316 2.963 2.370 -9.439 1.00 21.45 C ATOM 108 CD GLN A 316 1.570 1.890 -9.795 1.00 53.51 C ATOM 109 OE1 GLN A 316 0.691 2.689 -10.122 1.00 70.30 O ATOM 110 NE2 GLN A 316 1.360 0.581 -9.734 1.00 61.42 N ATOM 0 H GLN A 316 5.456 1.483 -9.626 1.00 11.10 H new ATOM 0 HA GLN A 316 5.614 3.751 -11.215 1.00 32.30 H new ATOM 0 HB2 GLN A 316 3.140 3.711 -11.097 1.00 75.21 H new ATOM 0 HB3 GLN A 316 3.816 2.120 -11.385 1.00 75.21 H new ATOM 0 HG2 GLN A 316 3.525 1.546 -8.999 1.00 21.45 H new ATOM 0 HG3 GLN A 316 2.892 3.148 -8.679 1.00 21.45 H new ATOM 0 HE21 GLN A 316 2.117 -0.045 -9.458 1.00 61.42 H new ATOM 0 HE22 GLN A 316 0.442 0.201 -9.963 1.00 61.42 H new ATOM 119 N ALA A 317 4.913 4.393 -8.076 1.00 52.52 N ATOM 120 CA ALA A 317 4.799 5.463 -7.092 1.00 64.40 C ATOM 121 C ALA A 317 6.097 6.257 -6.993 1.00 1.34 C ATOM 122 O ALA A 317 6.080 7.463 -6.745 1.00 24.51 O ATOM 123 CB ALA A 317 4.423 4.891 -5.733 1.00 52.21 C ATOM 0 H ALA A 317 4.920 3.453 -7.679 1.00 52.52 H new ATOM 0 HA ALA A 317 4.012 6.142 -7.419 1.00 64.40 H new ATOM 0 HB1 ALA A 317 4.341 5.700 -5.008 1.00 52.21 H new ATOM 0 HB2 ALA A 317 3.467 4.373 -5.808 1.00 52.21 H new ATOM 0 HB3 ALA A 317 5.191 4.189 -5.408 1.00 52.21 H new ATOM 129 N ALA A 318 7.220 5.574 -7.187 1.00 23.13 N ATOM 130 CA ALA A 318 8.527 6.217 -7.120 1.00 72.21 C ATOM 131 C ALA A 318 8.744 7.143 -8.312 1.00 1.44 C ATOM 132 O ALA A 318 9.402 8.176 -8.194 1.00 44.45 O ATOM 133 CB ALA A 318 9.628 5.169 -7.056 1.00 60.23 C ATOM 0 H ALA A 318 7.251 4.575 -7.392 1.00 23.13 H new ATOM 0 HA ALA A 318 8.562 6.820 -6.213 1.00 72.21 H new ATOM 0 HB1 ALA A 318 10.598 5.663 -7.006 1.00 60.23 H new ATOM 0 HB2 ALA A 318 9.490 4.550 -6.169 1.00 60.23 H new ATOM 0 HB3 ALA A 318 9.585 4.542 -7.946 1.00 60.23 H new ATOM 139 N ALA A 319 8.187 6.766 -9.458 1.00 0.32 N ATOM 140 CA ALA A 319 8.319 7.565 -10.670 1.00 61.52 C ATOM 141 C ALA A 319 7.252 8.652 -10.731 1.00 11.14 C ATOM 142 O ALA A 319 7.555 9.817 -10.985 1.00 11.31 O ATOM 143 CB ALA A 319 8.237 6.673 -11.900 1.00 41.05 C ATOM 0 H ALA A 319 7.640 5.913 -9.573 1.00 0.32 H new ATOM 0 HA ALA A 319 9.294 8.052 -10.650 1.00 61.52 H new ATOM 0 HB1 ALA A 319 8.337 7.282 -12.798 1.00 41.05 H new ATOM 0 HB2 ALA A 319 9.040 5.937 -11.870 1.00 41.05 H new ATOM 0 HB3 ALA A 319 7.275 6.160 -11.914 1.00 41.05 H new ATOM 149 N GLN A 320 6.003 8.263 -10.496 1.00 30.22 N ATOM 150 CA GLN A 320 4.891 9.206 -10.525 1.00 61.42 C ATOM 151 C GLN A 320 5.179 10.415 -9.641 1.00 62.25 C ATOM 152 O GLN A 320 4.726 11.523 -9.924 1.00 14.22 O ATOM 153 CB GLN A 320 3.602 8.521 -10.068 1.00 72.25 C ATOM 154 CG GLN A 320 3.484 8.391 -8.558 1.00 52.34 C ATOM 155 CD GLN A 320 2.799 9.585 -7.922 1.00 64.10 C ATOM 156 OE1 GLN A 320 3.457 10.508 -7.440 1.00 33.21 O ATOM 157 NE2 GLN A 320 1.472 9.573 -7.917 1.00 55.23 N ATOM 0 H GLN A 320 5.736 7.302 -10.284 1.00 30.22 H new ATOM 0 HA GLN A 320 4.767 9.551 -11.552 1.00 61.42 H new ATOM 0 HB2 GLN A 320 2.748 9.085 -10.444 1.00 72.25 H new ATOM 0 HB3 GLN A 320 3.550 7.528 -10.515 1.00 72.25 H new ATOM 0 HG2 GLN A 320 2.926 7.486 -8.317 1.00 52.34 H new ATOM 0 HG3 GLN A 320 4.479 8.276 -8.128 1.00 52.34 H new ATOM 0 HE21 GLN A 320 0.968 8.787 -8.328 1.00 55.23 H new ATOM 0 HE22 GLN A 320 0.957 10.349 -7.502 1.00 55.23 H new ATOM 166 N GLU A 321 5.936 10.193 -8.571 1.00 74.41 N ATOM 167 CA GLU A 321 6.283 11.265 -7.646 1.00 35.23 C ATOM 168 C GLU A 321 7.428 12.110 -8.197 1.00 32.54 C ATOM 169 O GLU A 321 7.444 13.330 -8.038 1.00 23.44 O ATOM 170 CB GLU A 321 6.670 10.687 -6.283 1.00 0.01 C ATOM 171 CG GLU A 321 6.421 11.639 -5.125 1.00 60.01 C ATOM 172 CD GLU A 321 5.021 11.512 -4.556 1.00 23.41 C ATOM 173 OE1 GLU A 321 4.194 12.413 -4.809 1.00 25.22 O ATOM 174 OE2 GLU A 321 4.753 10.512 -3.858 1.00 31.23 O ATOM 0 H GLU A 321 6.320 9.281 -8.324 1.00 74.41 H new ATOM 0 HA GLU A 321 5.408 11.904 -7.526 1.00 35.23 H new ATOM 0 HB2 GLU A 321 6.108 9.768 -6.114 1.00 0.01 H new ATOM 0 HB3 GLU A 321 7.726 10.416 -6.299 1.00 0.01 H new ATOM 0 HG2 GLU A 321 7.148 11.445 -4.337 1.00 60.01 H new ATOM 0 HG3 GLU A 321 6.581 12.664 -5.461 1.00 60.01 H new ATOM 181 N GLU A 322 8.384 11.450 -8.844 1.00 55.10 N ATOM 182 CA GLU A 322 9.533 12.140 -9.417 1.00 2.30 C ATOM 183 C GLU A 322 9.109 13.030 -10.582 1.00 13.13 C ATOM 184 O GLU A 322 9.462 14.208 -10.638 1.00 11.14 O ATOM 185 CB GLU A 322 10.580 11.129 -9.889 1.00 2.04 C ATOM 186 CG GLU A 322 11.855 11.771 -10.410 1.00 73.12 C ATOM 187 CD GLU A 322 12.577 12.580 -9.350 1.00 72.31 C ATOM 188 OE1 GLU A 322 13.380 11.988 -8.599 1.00 2.44 O ATOM 189 OE2 GLU A 322 12.339 13.803 -9.272 1.00 34.15 O ATOM 0 H GLU A 322 8.385 10.440 -8.984 1.00 55.10 H new ATOM 0 HA GLU A 322 9.969 12.770 -8.641 1.00 2.30 H new ATOM 0 HB2 GLU A 322 10.830 10.464 -9.062 1.00 2.04 H new ATOM 0 HB3 GLU A 322 10.147 10.511 -10.675 1.00 2.04 H new ATOM 0 HG2 GLU A 322 12.521 10.994 -10.785 1.00 73.12 H new ATOM 0 HG3 GLU A 322 11.613 12.418 -11.253 1.00 73.12 H new ATOM 196 N ARG A 323 8.349 12.457 -11.510 1.00 3.30 N ATOM 197 CA ARG A 323 7.878 13.197 -12.675 1.00 31.05 C ATOM 198 C ARG A 323 7.049 14.406 -12.252 1.00 13.04 C ATOM 199 O ARG A 323 7.347 15.540 -12.630 1.00 34.21 O ATOM 200 CB ARG A 323 7.047 12.287 -13.581 1.00 51.11 C ATOM 201 CG ARG A 323 7.761 11.005 -13.977 1.00 0.03 C ATOM 202 CD ARG A 323 7.331 10.531 -15.356 1.00 31.41 C ATOM 203 NE ARG A 323 7.947 11.317 -16.422 1.00 34.42 N ATOM 204 CZ ARG A 323 9.205 11.160 -16.817 1.00 2.52 C ATOM 205 NH1 ARG A 323 9.978 10.252 -16.237 1.00 75.24 N ATOM 206 NH2 ARG A 323 9.693 11.914 -17.794 1.00 25.02 N ATOM 0 H ARG A 323 8.046 11.483 -11.478 1.00 3.30 H new ATOM 0 HA ARG A 323 8.749 13.551 -13.227 1.00 31.05 H new ATOM 0 HB2 ARG A 323 6.117 12.033 -13.072 1.00 51.11 H new ATOM 0 HB3 ARG A 323 6.777 12.836 -14.483 1.00 51.11 H new ATOM 0 HG2 ARG A 323 8.838 11.169 -13.967 1.00 0.03 H new ATOM 0 HG3 ARG A 323 7.550 10.228 -13.242 1.00 0.03 H new ATOM 0 HD2 ARG A 323 7.599 9.482 -15.478 1.00 31.41 H new ATOM 0 HD3 ARG A 323 6.246 10.595 -15.439 1.00 31.41 H new ATOM 0 HE ARG A 323 7.380 12.025 -16.888 1.00 34.42 H new ATOM 0 HH11 ARG A 323 9.607 9.671 -15.485 1.00 75.24 H new ATOM 0 HH12 ARG A 323 10.944 10.134 -16.543 1.00 75.24 H new ATOM 0 HH21 ARG A 323 9.102 12.614 -18.242 1.00 25.02 H new ATOM 0 HH22 ARG A 323 10.659 11.793 -18.097 1.00 25.02 H new ATOM 220 N LEU A 324 6.007 14.157 -11.466 1.00 20.32 N ATOM 221 CA LEU A 324 5.134 15.225 -10.991 1.00 73.53 C ATOM 222 C LEU A 324 5.925 16.270 -10.212 1.00 64.22 C ATOM 223 O LEU A 324 5.684 17.470 -10.342 1.00 60.51 O ATOM 224 CB LEU A 324 4.023 14.649 -10.111 1.00 23.42 C ATOM 225 CG LEU A 324 2.748 14.217 -10.835 1.00 71.15 C ATOM 226 CD1 LEU A 324 3.075 13.247 -11.960 1.00 62.10 C ATOM 227 CD2 LEU A 324 1.765 13.590 -9.857 1.00 52.34 C ATOM 0 H LEU A 324 5.746 13.225 -11.144 1.00 20.32 H new ATOM 0 HA LEU A 324 4.687 15.708 -11.860 1.00 73.53 H new ATOM 0 HB2 LEU A 324 4.422 13.788 -9.575 1.00 23.42 H new ATOM 0 HB3 LEU A 324 3.757 15.395 -9.362 1.00 23.42 H new ATOM 0 HG LEU A 324 2.283 15.102 -11.269 1.00 71.15 H new ATOM 0 HD11 LEU A 324 2.155 12.951 -12.464 1.00 62.10 H new ATOM 0 HD12 LEU A 324 3.741 13.730 -12.675 1.00 62.10 H new ATOM 0 HD13 LEU A 324 3.564 12.364 -11.548 1.00 62.10 H new ATOM 0 HD21 LEU A 324 0.863 13.289 -10.390 1.00 52.34 H new ATOM 0 HD22 LEU A 324 2.221 12.716 -9.393 1.00 52.34 H new ATOM 0 HD23 LEU A 324 1.505 14.316 -9.087 1.00 52.34 H new ATOM 239 N ALA A 325 6.873 15.806 -9.404 1.00 61.22 N ATOM 240 CA ALA A 325 7.703 16.701 -8.608 1.00 24.43 C ATOM 241 C ALA A 325 8.332 17.785 -9.476 1.00 61.34 C ATOM 242 O ALA A 325 8.479 18.929 -9.048 1.00 10.53 O ATOM 243 CB ALA A 325 8.783 15.912 -7.881 1.00 33.11 C ATOM 0 H ALA A 325 7.085 14.816 -9.284 1.00 61.22 H new ATOM 0 HA ALA A 325 7.065 17.188 -7.871 1.00 24.43 H new ATOM 0 HB1 ALA A 325 9.396 16.593 -7.290 1.00 33.11 H new ATOM 0 HB2 ALA A 325 8.317 15.179 -7.222 1.00 33.11 H new ATOM 0 HB3 ALA A 325 9.411 15.398 -8.609 1.00 33.11 H new ATOM 249 N ASP A 326 8.702 17.417 -10.698 1.00 21.30 N ATOM 250 CA ASP A 326 9.315 18.358 -11.627 1.00 42.54 C ATOM 251 C ASP A 326 8.462 19.615 -11.770 1.00 75.32 C ATOM 252 O ASP A 326 8.983 20.729 -11.827 1.00 12.42 O ATOM 253 CB ASP A 326 9.513 17.703 -12.995 1.00 74.21 C ATOM 254 CG ASP A 326 10.665 18.313 -13.769 1.00 15.31 C ATOM 255 OD1 ASP A 326 10.732 19.558 -13.850 1.00 73.12 O ATOM 256 OD2 ASP A 326 11.499 17.547 -14.292 1.00 64.44 O ATOM 0 H ASP A 326 8.588 16.473 -11.068 1.00 21.30 H new ATOM 0 HA ASP A 326 10.287 18.644 -11.226 1.00 42.54 H new ATOM 0 HB2 ASP A 326 9.694 16.637 -12.861 1.00 74.21 H new ATOM 0 HB3 ASP A 326 8.596 17.800 -13.577 1.00 74.21 H new ATOM 261 N LEU A 327 7.148 19.427 -11.829 1.00 53.31 N ATOM 262 CA LEU A 327 6.221 20.545 -11.966 1.00 52.45 C ATOM 263 C LEU A 327 5.826 21.096 -10.600 1.00 55.11 C ATOM 264 O LEU A 327 5.807 22.309 -10.390 1.00 61.52 O ATOM 265 CB LEU A 327 4.972 20.107 -12.733 1.00 71.20 C ATOM 266 CG LEU A 327 4.278 21.189 -13.561 1.00 13.13 C ATOM 267 CD1 LEU A 327 3.785 22.313 -12.663 1.00 53.51 C ATOM 268 CD2 LEU A 327 5.218 21.730 -14.628 1.00 22.40 C ATOM 0 H LEU A 327 6.701 18.511 -11.784 1.00 53.31 H new ATOM 0 HA LEU A 327 6.724 21.335 -12.524 1.00 52.45 H new ATOM 0 HB2 LEU A 327 5.247 19.289 -13.399 1.00 71.20 H new ATOM 0 HB3 LEU A 327 4.253 19.708 -12.018 1.00 71.20 H new ATOM 0 HG LEU A 327 3.416 20.743 -14.057 1.00 13.13 H new ATOM 0 HD11 LEU A 327 3.294 23.074 -13.269 1.00 53.51 H new ATOM 0 HD12 LEU A 327 3.077 21.914 -11.937 1.00 53.51 H new ATOM 0 HD13 LEU A 327 4.631 22.757 -12.138 1.00 53.51 H new ATOM 0 HD21 LEU A 327 4.707 22.499 -15.207 1.00 22.40 H new ATOM 0 HD22 LEU A 327 6.099 22.160 -14.152 1.00 22.40 H new ATOM 0 HD23 LEU A 327 5.522 20.919 -15.290 1.00 22.40 H new ATOM 280 N ALA A 328 5.512 20.197 -9.673 1.00 71.54 N ATOM 281 CA ALA A 328 5.121 20.592 -8.326 1.00 4.10 C ATOM 282 C ALA A 328 6.154 21.528 -7.708 1.00 1.34 C ATOM 283 O ALA A 328 5.806 22.455 -6.976 1.00 24.02 O ATOM 284 CB ALA A 328 4.929 19.363 -7.450 1.00 71.01 C ATOM 0 H ALA A 328 5.521 19.189 -9.831 1.00 71.54 H new ATOM 0 HA ALA A 328 4.175 21.129 -8.391 1.00 4.10 H new ATOM 0 HB1 ALA A 328 4.637 19.673 -6.447 1.00 71.01 H new ATOM 0 HB2 ALA A 328 4.149 18.731 -7.876 1.00 71.01 H new ATOM 0 HB3 ALA A 328 5.863 18.803 -7.399 1.00 71.01 H new ATOM 290 N SER A 329 7.425 21.280 -8.006 1.00 63.40 N ATOM 291 CA SER A 329 8.509 22.098 -7.475 1.00 62.04 C ATOM 292 C SER A 329 8.512 23.481 -8.120 1.00 72.33 C ATOM 293 O SER A 329 8.808 24.482 -7.468 1.00 23.44 O ATOM 294 CB SER A 329 9.856 21.411 -7.709 1.00 3.41 C ATOM 295 OG SER A 329 9.973 20.237 -6.924 1.00 41.22 O ATOM 0 H SER A 329 7.730 20.519 -8.613 1.00 63.40 H new ATOM 0 HA SER A 329 8.351 22.216 -6.403 1.00 62.04 H new ATOM 0 HB2 SER A 329 9.961 21.159 -8.764 1.00 3.41 H new ATOM 0 HB3 SER A 329 10.666 22.098 -7.464 1.00 3.41 H new ATOM 0 HG SER A 329 9.528 19.493 -7.381 1.00 41.22 H new ATOM 301 N ASP A 330 8.179 23.527 -9.406 1.00 3.55 N ATOM 302 CA ASP A 330 8.142 24.787 -10.140 1.00 73.42 C ATOM 303 C ASP A 330 7.293 25.820 -9.405 1.00 62.51 C ATOM 304 O ASP A 330 7.801 26.846 -8.952 1.00 15.33 O ATOM 305 CB ASP A 330 7.589 24.564 -11.549 1.00 21.42 C ATOM 306 CG ASP A 330 7.569 25.837 -12.371 1.00 71.02 C ATOM 307 OD1 ASP A 330 6.495 26.469 -12.460 1.00 44.33 O ATOM 308 OD2 ASP A 330 8.627 26.202 -12.925 1.00 32.10 O ATOM 0 H ASP A 330 7.931 22.708 -9.961 1.00 3.55 H new ATOM 0 HA ASP A 330 9.161 25.167 -10.213 1.00 73.42 H new ATOM 0 HB2 ASP A 330 8.194 23.815 -12.059 1.00 21.42 H new ATOM 0 HB3 ASP A 330 6.578 24.164 -11.480 1.00 21.42 H new ATOM 313 N LEU A 331 5.999 25.542 -9.292 1.00 21.23 N ATOM 314 CA LEU A 331 5.079 26.447 -8.612 1.00 51.34 C ATOM 315 C LEU A 331 5.530 26.707 -7.178 1.00 74.15 C ATOM 316 O LEU A 331 5.380 27.814 -6.660 1.00 13.11 O ATOM 317 CB LEU A 331 3.664 25.866 -8.617 1.00 50.10 C ATOM 318 CG LEU A 331 3.421 24.683 -7.680 1.00 24.43 C ATOM 319 CD1 LEU A 331 2.963 25.169 -6.314 1.00 21.34 C ATOM 320 CD2 LEU A 331 2.399 23.729 -8.279 1.00 74.51 C ATOM 0 H LEU A 331 5.563 24.697 -9.662 1.00 21.23 H new ATOM 0 HA LEU A 331 5.078 27.395 -9.150 1.00 51.34 H new ATOM 0 HB2 LEU A 331 2.966 26.661 -8.355 1.00 50.10 H new ATOM 0 HB3 LEU A 331 3.425 25.554 -9.634 1.00 50.10 H new ATOM 0 HG LEU A 331 4.361 24.145 -7.555 1.00 24.43 H new ATOM 0 HD11 LEU A 331 2.795 24.313 -5.661 1.00 21.34 H new ATOM 0 HD12 LEU A 331 3.730 25.811 -5.881 1.00 21.34 H new ATOM 0 HD13 LEU A 331 2.036 25.732 -6.420 1.00 21.34 H new ATOM 0 HD21 LEU A 331 2.239 22.893 -7.598 1.00 74.51 H new ATOM 0 HD22 LEU A 331 1.457 24.256 -8.435 1.00 74.51 H new ATOM 0 HD23 LEU A 331 2.767 23.354 -9.234 1.00 74.51 H new ATOM 332 N LEU A 332 6.084 25.680 -6.543 1.00 41.42 N ATOM 333 CA LEU A 332 6.560 25.798 -5.169 1.00 74.40 C ATOM 334 C LEU A 332 7.514 26.978 -5.022 1.00 12.52 C ATOM 335 O LEU A 332 7.199 27.966 -4.356 1.00 55.04 O ATOM 336 CB LEU A 332 7.258 24.506 -4.738 1.00 54.43 C ATOM 337 CG LEU A 332 7.517 24.352 -3.239 1.00 61.43 C ATOM 338 CD1 LEU A 332 6.306 23.746 -2.548 1.00 33.33 C ATOM 339 CD2 LEU A 332 8.754 23.498 -2.997 1.00 53.45 C ATOM 0 H LEU A 332 6.215 24.757 -6.957 1.00 41.42 H new ATOM 0 HA LEU A 332 5.697 25.970 -4.525 1.00 74.40 H new ATOM 0 HB2 LEU A 332 6.654 23.662 -5.071 1.00 54.43 H new ATOM 0 HB3 LEU A 332 8.213 24.441 -5.260 1.00 54.43 H new ATOM 0 HG LEU A 332 7.694 25.341 -2.816 1.00 61.43 H new ATOM 0 HD11 LEU A 332 6.509 23.644 -1.482 1.00 33.33 H new ATOM 0 HD12 LEU A 332 5.442 24.395 -2.693 1.00 33.33 H new ATOM 0 HD13 LEU A 332 6.098 22.764 -2.973 1.00 33.33 H new ATOM 0 HD21 LEU A 332 8.924 23.399 -1.925 1.00 53.45 H new ATOM 0 HD22 LEU A 332 8.606 22.510 -3.434 1.00 53.45 H new ATOM 0 HD23 LEU A 332 9.620 23.973 -3.459 1.00 53.45 H new ATOM 351 N LEU A 333 8.680 26.871 -5.648 1.00 43.31 N ATOM 352 CA LEU A 333 9.681 27.932 -5.589 1.00 73.51 C ATOM 353 C LEU A 333 9.111 29.247 -6.110 1.00 0.21 C ATOM 354 O LEU A 333 9.436 30.319 -5.601 1.00 1.34 O ATOM 355 CB LEU A 333 10.916 27.540 -6.402 1.00 51.10 C ATOM 356 CG LEU A 333 11.940 26.660 -5.685 1.00 21.11 C ATOM 357 CD1 LEU A 333 11.559 25.192 -5.803 1.00 50.45 C ATOM 358 CD2 LEU A 333 13.334 26.898 -6.247 1.00 22.22 C ATOM 0 H LEU A 333 8.957 26.061 -6.203 1.00 43.31 H new ATOM 0 HA LEU A 333 9.969 28.070 -4.547 1.00 73.51 H new ATOM 0 HB2 LEU A 333 10.585 27.019 -7.300 1.00 51.10 H new ATOM 0 HB3 LEU A 333 11.416 28.452 -6.729 1.00 51.10 H new ATOM 0 HG LEU A 333 11.945 26.929 -4.629 1.00 21.11 H new ATOM 0 HD11 LEU A 333 12.300 24.581 -5.287 1.00 50.45 H new ATOM 0 HD12 LEU A 333 10.579 25.033 -5.352 1.00 50.45 H new ATOM 0 HD13 LEU A 333 11.525 24.908 -6.855 1.00 50.45 H new ATOM 0 HD21 LEU A 333 14.050 26.263 -5.725 1.00 22.22 H new ATOM 0 HD22 LEU A 333 13.344 26.658 -7.310 1.00 22.22 H new ATOM 0 HD23 LEU A 333 13.608 27.944 -6.109 1.00 22.22 H new ATOM 370 N GLN A 334 8.259 29.156 -7.126 1.00 13.24 N ATOM 371 CA GLN A 334 7.643 30.340 -7.714 1.00 32.23 C ATOM 372 C GLN A 334 6.936 31.172 -6.649 1.00 31.23 C ATOM 373 O GLN A 334 7.003 32.401 -6.662 1.00 13.14 O ATOM 374 CB GLN A 334 6.649 29.935 -8.804 1.00 44.22 C ATOM 375 CG GLN A 334 5.806 31.091 -9.318 1.00 64.05 C ATOM 376 CD GLN A 334 5.612 31.048 -10.821 1.00 73.13 C ATOM 377 OE1 GLN A 334 4.496 30.867 -11.309 1.00 53.33 O ATOM 378 NE2 GLN A 334 6.699 31.214 -11.564 1.00 45.34 N ATOM 0 H GLN A 334 7.980 28.276 -7.559 1.00 13.24 H new ATOM 0 HA GLN A 334 8.432 30.947 -8.158 1.00 32.23 H new ATOM 0 HB2 GLN A 334 7.196 29.496 -9.638 1.00 44.22 H new ATOM 0 HB3 GLN A 334 5.989 29.161 -8.413 1.00 44.22 H new ATOM 0 HG2 GLN A 334 4.832 31.071 -8.829 1.00 64.05 H new ATOM 0 HG3 GLN A 334 6.281 32.033 -9.044 1.00 64.05 H new ATOM 0 HE21 GLN A 334 7.604 31.361 -11.118 1.00 45.34 H new ATOM 0 HE22 GLN A 334 6.629 31.194 -12.581 1.00 45.34 H new ATOM 387 N TYR A 335 6.259 30.494 -5.729 1.00 21.15 N ATOM 388 CA TYR A 335 5.537 31.171 -4.658 1.00 22.34 C ATOM 389 C TYR A 335 6.466 32.092 -3.872 1.00 32.30 C ATOM 390 O TYR A 335 6.064 33.170 -3.432 1.00 20.32 O ATOM 391 CB TYR A 335 4.901 30.147 -3.717 1.00 34.44 C ATOM 392 CG TYR A 335 3.920 30.751 -2.738 1.00 11.45 C ATOM 393 CD1 TYR A 335 4.362 31.512 -1.662 1.00 11.10 C ATOM 394 CD2 TYR A 335 2.552 30.562 -2.887 1.00 72.42 C ATOM 395 CE1 TYR A 335 3.470 32.066 -0.764 1.00 52.24 C ATOM 396 CE2 TYR A 335 1.652 31.113 -1.995 1.00 44.04 C ATOM 397 CZ TYR A 335 2.116 31.864 -0.936 1.00 1.23 C ATOM 398 OH TYR A 335 1.223 32.414 -0.044 1.00 44.04 O ATOM 0 H TYR A 335 6.195 29.476 -5.703 1.00 21.15 H new ATOM 0 HA TYR A 335 4.752 31.777 -5.110 1.00 22.34 H new ATOM 0 HB2 TYR A 335 4.389 29.390 -4.311 1.00 34.44 H new ATOM 0 HB3 TYR A 335 5.689 29.638 -3.162 1.00 34.44 H new ATOM 0 HD1 TYR A 335 5.421 31.673 -1.526 1.00 11.10 H new ATOM 0 HD2 TYR A 335 2.185 29.974 -3.715 1.00 72.42 H new ATOM 0 HE1 TYR A 335 3.830 32.654 0.067 1.00 52.24 H new ATOM 0 HE2 TYR A 335 0.592 30.956 -2.127 1.00 44.04 H new ATOM 0 HH TYR A 335 0.309 32.178 -0.308 1.00 44.04 H new ATOM 408 N LEU A 336 7.710 31.659 -3.700 1.00 41.43 N ATOM 409 CA LEU A 336 8.698 32.444 -2.968 1.00 45.14 C ATOM 410 C LEU A 336 8.896 33.811 -3.615 1.00 41.15 C ATOM 411 O LEU A 336 8.543 34.840 -3.038 1.00 11.20 O ATOM 412 CB LEU A 336 10.032 31.696 -2.912 1.00 12.42 C ATOM 413 CG LEU A 336 9.952 30.206 -2.579 1.00 1.22 C ATOM 414 CD1 LEU A 336 11.346 29.612 -2.454 1.00 63.33 C ATOM 415 CD2 LEU A 336 9.161 29.988 -1.297 1.00 72.44 C ATOM 0 H LEU A 336 8.058 30.769 -4.057 1.00 41.43 H new ATOM 0 HA LEU A 336 8.328 32.593 -1.954 1.00 45.14 H new ATOM 0 HB2 LEU A 336 10.528 31.806 -3.876 1.00 12.42 H new ATOM 0 HB3 LEU A 336 10.666 32.180 -2.170 1.00 12.42 H new ATOM 0 HG LEU A 336 9.434 29.698 -3.393 1.00 1.22 H new ATOM 0 HD11 LEU A 336 11.269 28.551 -2.217 1.00 63.33 H new ATOM 0 HD12 LEU A 336 11.880 29.736 -3.396 1.00 63.33 H new ATOM 0 HD13 LEU A 336 11.889 30.123 -1.659 1.00 63.33 H new ATOM 0 HD21 LEU A 336 9.114 28.922 -1.075 1.00 72.44 H new ATOM 0 HD22 LEU A 336 9.651 30.509 -0.474 1.00 72.44 H new ATOM 0 HD23 LEU A 336 8.151 30.377 -1.422 1.00 72.44 H new ATOM 427 N LEU A 337 9.460 33.815 -4.818 1.00 64.50 N ATOM 428 CA LEU A 337 9.703 35.055 -5.546 1.00 0.42 C ATOM 429 C LEU A 337 8.400 35.811 -5.783 1.00 13.42 C ATOM 430 O LEU A 337 8.324 37.020 -5.562 1.00 73.33 O ATOM 431 CB LEU A 337 10.385 34.760 -6.883 1.00 2.52 C ATOM 432 CG LEU A 337 10.666 35.971 -7.774 1.00 63.43 C ATOM 433 CD1 LEU A 337 11.907 35.733 -8.622 1.00 34.25 C ATOM 434 CD2 LEU A 337 9.465 36.273 -8.658 1.00 34.24 C ATOM 0 H LEU A 337 9.758 32.973 -5.310 1.00 64.50 H new ATOM 0 HA LEU A 337 10.360 35.680 -4.941 1.00 0.42 H new ATOM 0 HB2 LEU A 337 11.330 34.254 -6.683 1.00 2.52 H new ATOM 0 HB3 LEU A 337 9.761 34.061 -7.440 1.00 2.52 H new ATOM 0 HG LEU A 337 10.847 36.834 -7.134 1.00 63.43 H new ATOM 0 HD11 LEU A 337 12.092 36.605 -9.250 1.00 34.25 H new ATOM 0 HD12 LEU A 337 12.766 35.566 -7.972 1.00 34.25 H new ATOM 0 HD13 LEU A 337 11.754 34.858 -9.253 1.00 34.25 H new ATOM 0 HD21 LEU A 337 9.683 37.138 -9.285 1.00 34.24 H new ATOM 0 HD22 LEU A 337 9.252 35.411 -9.290 1.00 34.24 H new ATOM 0 HD23 LEU A 337 8.598 36.487 -8.033 1.00 34.24 H new ATOM 446 N GLN A 338 7.377 35.091 -6.231 1.00 73.11 N ATOM 447 CA GLN A 338 6.076 35.694 -6.496 1.00 40.32 C ATOM 448 C GLN A 338 5.588 36.488 -5.289 1.00 11.01 C ATOM 449 O GLN A 338 4.957 37.534 -5.435 1.00 2.22 O ATOM 450 CB GLN A 338 5.054 34.615 -6.859 1.00 42.41 C ATOM 451 CG GLN A 338 3.794 35.165 -7.507 1.00 73.34 C ATOM 452 CD GLN A 338 2.997 34.097 -8.232 1.00 45.41 C ATOM 453 OE1 GLN A 338 1.922 33.699 -7.785 1.00 74.42 O ATOM 454 NE2 GLN A 338 3.523 33.628 -9.358 1.00 11.42 N ATOM 0 H GLN A 338 7.424 34.089 -6.418 1.00 73.11 H new ATOM 0 HA GLN A 338 6.186 36.378 -7.338 1.00 40.32 H new ATOM 0 HB2 GLN A 338 5.519 33.899 -7.537 1.00 42.41 H new ATOM 0 HB3 GLN A 338 4.780 34.068 -5.957 1.00 42.41 H new ATOM 0 HG2 GLN A 338 3.167 35.624 -6.742 1.00 73.34 H new ATOM 0 HG3 GLN A 338 4.066 35.951 -8.211 1.00 73.34 H new ATOM 0 HE21 GLN A 338 4.417 33.987 -9.691 1.00 11.42 H new ATOM 0 HE22 GLN A 338 3.032 32.909 -9.889 1.00 11.42 H new ATOM 463 N GLY A 339 5.884 35.983 -4.095 1.00 61.42 N ATOM 464 CA GLY A 339 5.467 36.657 -2.880 1.00 2.12 C ATOM 465 C GLY A 339 6.054 38.050 -2.759 1.00 71.41 C ATOM 466 O GLY A 339 5.346 39.004 -2.441 1.00 33.34 O ATOM 0 H GLY A 339 6.405 35.119 -3.948 1.00 61.42 H new ATOM 0 HA2 GLY A 339 4.379 36.721 -2.859 1.00 2.12 H new ATOM 0 HA3 GLY A 339 5.768 36.063 -2.017 1.00 2.12 H new ATOM 470 N GLY A 340 7.354 38.167 -3.013 1.00 31.30 N ATOM 471 CA GLY A 340 8.014 39.456 -2.924 1.00 11.01 C ATOM 472 C GLY A 340 7.751 40.327 -4.136 1.00 71.03 C ATOM 473 O GLY A 340 7.615 41.544 -4.017 1.00 15.14 O ATOM 0 H GLY A 340 7.962 37.392 -3.279 1.00 31.30 H new ATOM 0 HA2 GLY A 340 7.673 39.974 -2.027 1.00 11.01 H new ATOM 0 HA3 GLY A 340 9.088 39.304 -2.816 1.00 11.01 H new ATOM 477 N ALA A 341 7.681 39.703 -5.307 1.00 70.35 N ATOM 478 CA ALA A 341 7.432 40.429 -6.547 1.00 24.14 C ATOM 479 C ALA A 341 6.156 41.257 -6.451 1.00 14.22 C ATOM 480 O ALA A 341 6.091 42.377 -6.959 1.00 23.14 O ATOM 481 CB ALA A 341 7.349 39.461 -7.718 1.00 5.41 C ATOM 0 H ALA A 341 7.793 38.696 -5.423 1.00 70.35 H new ATOM 0 HA ALA A 341 8.265 41.112 -6.713 1.00 24.14 H new ATOM 0 HB1 ALA A 341 7.163 40.017 -8.637 1.00 5.41 H new ATOM 0 HB2 ALA A 341 8.289 38.917 -7.807 1.00 5.41 H new ATOM 0 HB3 ALA A 341 6.536 38.755 -7.550 1.00 5.41 H new ATOM 487 N ARG A 342 5.142 40.699 -5.797 1.00 54.54 N ATOM 488 CA ARG A 342 3.866 41.386 -5.637 1.00 53.41 C ATOM 489 C ARG A 342 3.941 42.419 -4.516 1.00 21.30 C ATOM 490 O ARG A 342 3.430 43.530 -4.648 1.00 40.33 O ATOM 491 CB ARG A 342 2.753 40.379 -5.343 1.00 21.40 C ATOM 492 CG ARG A 342 2.424 39.474 -6.519 1.00 54.44 C ATOM 493 CD ARG A 342 1.153 38.677 -6.271 1.00 14.43 C ATOM 494 NE ARG A 342 -0.048 39.465 -6.536 1.00 51.13 N ATOM 495 CZ ARG A 342 -1.256 39.135 -6.093 1.00 53.35 C ATOM 496 NH1 ARG A 342 -1.423 38.039 -5.367 1.00 32.11 N ATOM 497 NH2 ARG A 342 -2.301 39.903 -6.377 1.00 4.32 N ATOM 0 H ARG A 342 5.179 39.774 -5.370 1.00 54.54 H new ATOM 0 HA ARG A 342 3.641 41.903 -6.570 1.00 53.41 H new ATOM 0 HB2 ARG A 342 3.047 39.763 -4.493 1.00 21.40 H new ATOM 0 HB3 ARG A 342 1.854 40.920 -5.049 1.00 21.40 H new ATOM 0 HG2 ARG A 342 2.307 40.075 -7.421 1.00 54.44 H new ATOM 0 HG3 ARG A 342 3.254 38.791 -6.697 1.00 54.44 H new ATOM 0 HD2 ARG A 342 1.152 37.790 -6.905 1.00 14.43 H new ATOM 0 HD3 ARG A 342 1.138 38.330 -5.238 1.00 14.43 H new ATOM 0 HE ARG A 342 0.046 40.315 -7.092 1.00 51.13 H new ATOM 0 HH11 ARG A 342 -0.623 37.446 -5.147 1.00 32.11 H new ATOM 0 HH12 ARG A 342 -2.352 37.788 -5.028 1.00 32.11 H new ATOM 0 HH21 ARG A 342 -2.177 40.747 -6.936 1.00 4.32 H new ATOM 0 HH22 ARG A 342 -3.228 39.649 -6.036 1.00 4.32 H new ATOM 511 N GLN A 343 4.581 42.042 -3.414 1.00 21.13 N ATOM 512 CA GLN A 343 4.722 42.935 -2.270 1.00 32.14 C ATOM 513 C GLN A 343 5.407 44.236 -2.675 1.00 70.43 C ATOM 514 O GLN A 343 4.878 45.324 -2.448 1.00 44.02 O ATOM 515 CB GLN A 343 5.518 42.251 -1.157 1.00 32.22 C ATOM 516 CG GLN A 343 4.659 41.421 -0.216 1.00 52.40 C ATOM 517 CD GLN A 343 5.350 41.130 1.101 1.00 23.22 C ATOM 518 OE1 GLN A 343 6.518 41.470 1.291 1.00 4.21 O ATOM 519 NE2 GLN A 343 4.631 40.496 2.020 1.00 10.42 N ATOM 0 H GLN A 343 5.010 41.125 -3.289 1.00 21.13 H new ATOM 0 HA GLN A 343 3.724 43.171 -1.901 1.00 32.14 H new ATOM 0 HB2 GLN A 343 6.276 41.609 -1.606 1.00 32.22 H new ATOM 0 HB3 GLN A 343 6.045 43.010 -0.580 1.00 32.22 H new ATOM 0 HG2 GLN A 343 3.725 41.948 -0.023 1.00 52.40 H new ATOM 0 HG3 GLN A 343 4.400 40.480 -0.702 1.00 52.40 H new ATOM 0 HE21 GLN A 343 3.666 40.233 1.820 1.00 10.42 H new ATOM 0 HE22 GLN A 343 5.044 40.272 2.926 1.00 10.42 H new ATOM 528 N ARG A 344 6.586 44.115 -3.276 1.00 42.03 N ATOM 529 CA ARG A 344 7.344 45.282 -3.712 1.00 64.51 C ATOM 530 C ARG A 344 6.506 46.161 -4.636 1.00 24.41 C ATOM 531 O ARG A 344 6.598 47.387 -4.594 1.00 70.34 O ATOM 532 CB ARG A 344 8.624 44.846 -4.428 1.00 5.13 C ATOM 533 CG ARG A 344 9.743 44.440 -3.482 1.00 11.11 C ATOM 534 CD ARG A 344 10.794 43.600 -4.190 1.00 42.24 C ATOM 535 NE ARG A 344 12.110 44.233 -4.163 1.00 1.02 N ATOM 536 CZ ARG A 344 12.464 45.228 -4.968 1.00 40.24 C ATOM 537 NH1 ARG A 344 11.604 45.702 -5.860 1.00 23.42 N ATOM 538 NH2 ARG A 344 13.680 45.752 -4.883 1.00 1.12 N ATOM 0 H ARG A 344 7.037 43.221 -3.472 1.00 42.03 H new ATOM 0 HA ARG A 344 7.609 45.863 -2.829 1.00 64.51 H new ATOM 0 HB2 ARG A 344 8.395 44.008 -5.087 1.00 5.13 H new ATOM 0 HB3 ARG A 344 8.973 45.662 -5.060 1.00 5.13 H new ATOM 0 HG2 ARG A 344 10.210 45.332 -3.065 1.00 11.11 H new ATOM 0 HG3 ARG A 344 9.328 43.877 -2.646 1.00 11.11 H new ATOM 0 HD2 ARG A 344 10.854 42.620 -3.717 1.00 42.24 H new ATOM 0 HD3 ARG A 344 10.491 43.437 -5.224 1.00 42.24 H new ATOM 0 HE ARG A 344 12.795 43.892 -3.489 1.00 1.02 H new ATOM 0 HH11 ARG A 344 10.668 45.302 -5.929 1.00 23.42 H new ATOM 0 HH12 ARG A 344 11.879 46.466 -6.477 1.00 23.42 H new ATOM 0 HH21 ARG A 344 14.344 45.391 -4.199 1.00 1.12 H new ATOM 0 HH22 ARG A 344 13.950 46.516 -5.502 1.00 1.12 H new ATOM 552 N GLY A 345 5.690 45.524 -5.470 1.00 54.10 N ATOM 553 CA GLY A 345 4.848 46.263 -6.393 1.00 10.44 C ATOM 554 C GLY A 345 3.918 47.228 -5.683 1.00 63.14 C ATOM 555 O GLY A 345 3.656 48.325 -6.177 1.00 53.42 O ATOM 0 H GLY A 345 5.597 44.510 -5.523 1.00 54.10 H new ATOM 0 HA2 GLY A 345 5.477 46.816 -7.091 1.00 10.44 H new ATOM 0 HA3 GLY A 345 4.258 45.562 -6.983 1.00 10.44 H new ATOM 559 N LEU A 346 3.417 46.819 -4.523 1.00 62.11 N ATOM 560 CA LEU A 346 2.509 47.654 -3.745 1.00 2.33 C ATOM 561 C LEU A 346 3.265 48.788 -3.059 1.00 22.54 C ATOM 562 O LEU A 346 2.982 49.963 -3.286 1.00 2.05 O ATOM 563 CB LEU A 346 1.776 46.810 -2.701 1.00 71.21 C ATOM 564 CG LEU A 346 0.854 47.572 -1.748 1.00 61.14 C ATOM 565 CD1 LEU A 346 -0.548 47.672 -2.328 1.00 71.05 C ATOM 566 CD2 LEU A 346 0.822 46.898 -0.384 1.00 41.04 C ATOM 0 H LEU A 346 3.624 45.914 -4.100 1.00 62.11 H new ATOM 0 HA LEU A 346 1.780 48.089 -4.428 1.00 2.33 H new ATOM 0 HB2 LEU A 346 1.185 46.057 -3.222 1.00 71.21 H new ATOM 0 HB3 LEU A 346 2.519 46.277 -2.107 1.00 71.21 H new ATOM 0 HG LEU A 346 1.246 48.581 -1.623 1.00 61.14 H new ATOM 0 HD11 LEU A 346 -1.190 48.217 -1.636 1.00 71.05 H new ATOM 0 HD12 LEU A 346 -0.511 48.200 -3.281 1.00 71.05 H new ATOM 0 HD13 LEU A 346 -0.950 46.671 -2.483 1.00 71.05 H new ATOM 0 HD21 LEU A 346 0.161 47.454 0.281 1.00 41.04 H new ATOM 0 HD22 LEU A 346 0.455 45.877 -0.491 1.00 41.04 H new ATOM 0 HD23 LEU A 346 1.828 46.879 0.036 1.00 41.04 H new ATOM 578 N GLY A 347 4.231 48.425 -2.219 1.00 54.11 N ATOM 579 CA GLY A 347 5.014 49.423 -1.514 1.00 61.24 C ATOM 580 C GLY A 347 6.081 50.048 -2.391 1.00 72.14 C ATOM 581 O GLY A 347 7.217 49.576 -2.430 1.00 71.44 O ATOM 0 H GLY A 347 4.485 47.458 -2.015 1.00 54.11 H new ATOM 0 HA2 GLY A 347 4.351 50.204 -1.141 1.00 61.24 H new ATOM 0 HA3 GLY A 347 5.485 48.963 -0.645 1.00 61.24 H new TER 585 GLY A 347