USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 271 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 314 THR OG1 : rot 180:sc= 0 USER MOD Single : A 316 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 320 GLN : amide:sc= -2.13 K(o=-2.1,f=-9.7!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.017) 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= -0.113 X(o=-0.11,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 6.559 -3.297 -5.552 1.00 21.34 N ATOM 40 CA GLU A 312 6.157 -3.083 -6.937 1.00 12.43 C ATOM 41 C GLU A 312 5.572 -1.686 -7.123 1.00 52.40 C ATOM 42 O GLU A 312 6.049 -0.906 -7.948 1.00 34.54 O ATOM 43 CB GLU A 312 5.133 -4.137 -7.363 1.00 63.11 C ATOM 44 CG GLU A 312 5.549 -5.560 -7.029 1.00 5.45 C ATOM 45 CD GLU A 312 4.865 -6.589 -7.906 1.00 72.50 C ATOM 46 OE1 GLU A 312 5.465 -6.996 -8.923 1.00 34.43 O ATOM 47 OE2 GLU A 312 3.729 -6.989 -7.575 1.00 54.40 O ATOM 0 HA GLU A 312 7.044 -3.174 -7.564 1.00 12.43 H new ATOM 0 HB2 GLU A 312 4.180 -3.923 -6.878 1.00 63.11 H new ATOM 0 HB3 GLU A 312 4.969 -4.058 -8.438 1.00 63.11 H new ATOM 0 HG2 GLU A 312 6.629 -5.654 -7.140 1.00 5.45 H new ATOM 0 HG3 GLU A 312 5.317 -5.767 -5.984 1.00 5.45 H new ATOM 54 N ALA A 313 4.535 -1.377 -6.351 1.00 1.21 N ATOM 55 CA ALA A 313 3.885 -0.074 -6.429 1.00 65.31 C ATOM 56 C ALA A 313 4.850 1.044 -6.048 1.00 33.23 C ATOM 57 O ALA A 313 4.809 2.135 -6.618 1.00 24.31 O ATOM 58 CB ALA A 313 2.657 -0.043 -5.533 1.00 15.24 C ATOM 0 H ALA A 313 4.127 -2.011 -5.664 1.00 1.21 H new ATOM 0 HA ALA A 313 3.572 0.088 -7.460 1.00 65.31 H new ATOM 0 HB1 ALA A 313 2.182 0.936 -5.601 1.00 15.24 H new ATOM 0 HB2 ALA A 313 1.953 -0.811 -5.853 1.00 15.24 H new ATOM 0 HB3 ALA A 313 2.954 -0.231 -4.501 1.00 15.24 H new ATOM 64 N THR A 314 5.717 0.767 -5.079 1.00 33.43 N ATOM 65 CA THR A 314 6.690 1.750 -4.620 1.00 31.43 C ATOM 66 C THR A 314 7.477 2.331 -5.788 1.00 63.14 C ATOM 67 O THR A 314 7.824 3.512 -5.789 1.00 41.10 O ATOM 68 CB THR A 314 7.675 1.135 -3.607 1.00 73.33 C ATOM 69 OG1 THR A 314 6.962 0.650 -2.464 1.00 24.52 O ATOM 70 CG2 THR A 314 8.710 2.159 -3.169 1.00 2.30 C ATOM 0 H THR A 314 5.765 -0.131 -4.597 1.00 33.43 H new ATOM 0 HA THR A 314 6.128 2.547 -4.132 1.00 31.43 H new ATOM 0 HB THR A 314 8.191 0.306 -4.092 1.00 73.33 H new ATOM 0 HG1 THR A 314 7.594 0.259 -1.826 1.00 24.52 H new ATOM 0 HG21 THR A 314 9.394 1.702 -2.454 1.00 2.30 H new ATOM 0 HG22 THR A 314 9.270 2.504 -4.038 1.00 2.30 H new ATOM 0 HG23 THR A 314 8.208 3.006 -2.701 1.00 2.30 H new ATOM 78 N ARG A 315 7.756 1.494 -6.783 1.00 12.32 N ATOM 79 CA ARG A 315 8.503 1.926 -7.958 1.00 20.02 C ATOM 80 C ARG A 315 7.732 2.992 -8.731 1.00 4.43 C ATOM 81 O ARG A 315 8.176 4.135 -8.839 1.00 12.21 O ATOM 82 CB ARG A 315 8.796 0.733 -8.869 1.00 22.41 C ATOM 83 CG ARG A 315 9.814 -0.238 -8.293 1.00 1.03 C ATOM 84 CD ARG A 315 11.238 0.205 -8.592 1.00 53.10 C ATOM 85 NE ARG A 315 11.583 0.023 -9.999 1.00 41.13 N ATOM 86 CZ ARG A 315 12.673 0.534 -10.561 1.00 1.54 C ATOM 87 NH1 ARG A 315 13.519 1.255 -9.838 1.00 3.14 N ATOM 88 NH2 ARG A 315 12.919 0.325 -11.848 1.00 32.04 N ATOM 0 H ARG A 315 7.476 0.513 -6.798 1.00 12.32 H new ATOM 0 HA ARG A 315 9.445 2.357 -7.620 1.00 20.02 H new ATOM 0 HB2 ARG A 315 7.866 0.198 -9.064 1.00 22.41 H new ATOM 0 HB3 ARG A 315 9.159 1.100 -9.829 1.00 22.41 H new ATOM 0 HG2 ARG A 315 9.675 -0.316 -7.215 1.00 1.03 H new ATOM 0 HG3 ARG A 315 9.646 -1.232 -8.708 1.00 1.03 H new ATOM 0 HD2 ARG A 315 11.355 1.255 -8.323 1.00 53.10 H new ATOM 0 HD3 ARG A 315 11.932 -0.363 -7.972 1.00 53.10 H new ATOM 0 HE ARG A 315 10.952 -0.527 -10.583 1.00 41.13 H new ATOM 0 HH11 ARG A 315 13.334 1.418 -8.848 1.00 3.14 H new ATOM 0 HH12 ARG A 315 14.355 1.646 -10.271 1.00 3.14 H new ATOM 0 HH21 ARG A 315 12.271 -0.229 -12.408 1.00 32.04 H new ATOM 0 HH22 ARG A 315 13.756 0.718 -12.278 1.00 32.04 H new ATOM 102 N GLN A 316 6.578 2.609 -9.266 1.00 14.42 N ATOM 103 CA GLN A 316 5.747 3.533 -10.029 1.00 74.34 C ATOM 104 C GLN A 316 5.445 4.790 -9.220 1.00 74.24 C ATOM 105 O GLN A 316 5.380 5.891 -9.767 1.00 31.53 O ATOM 106 CB GLN A 316 4.441 2.853 -10.444 1.00 73.13 C ATOM 107 CG GLN A 316 3.650 2.290 -9.275 1.00 15.04 C ATOM 108 CD GLN A 316 2.346 1.647 -9.707 1.00 4.32 C ATOM 109 OE1 GLN A 316 1.263 2.136 -9.384 1.00 70.42 O ATOM 110 NE2 GLN A 316 2.444 0.545 -10.441 1.00 44.54 N ATOM 0 H GLN A 316 6.197 1.666 -9.186 1.00 14.42 H new ATOM 0 HA GLN A 316 6.298 3.823 -10.924 1.00 74.34 H new ATOM 0 HB2 GLN A 316 3.821 3.572 -10.979 1.00 73.13 H new ATOM 0 HB3 GLN A 316 4.667 2.046 -11.141 1.00 73.13 H new ATOM 0 HG2 GLN A 316 4.258 1.552 -8.752 1.00 15.04 H new ATOM 0 HG3 GLN A 316 3.438 3.090 -8.566 1.00 15.04 H new ATOM 0 HE21 GLN A 316 3.363 0.175 -10.685 1.00 44.54 H new ATOM 0 HE22 GLN A 316 1.601 0.069 -10.761 1.00 44.54 H new ATOM 119 N ALA A 317 5.260 4.618 -7.916 1.00 23.45 N ATOM 120 CA ALA A 317 4.967 5.738 -7.031 1.00 52.41 C ATOM 121 C ALA A 317 6.189 6.634 -6.855 1.00 73.51 C ATOM 122 O ALA A 317 6.064 7.849 -6.710 1.00 14.11 O ATOM 123 CB ALA A 317 4.482 5.232 -5.681 1.00 2.14 C ATOM 0 H ALA A 317 5.308 3.713 -7.448 1.00 23.45 H new ATOM 0 HA ALA A 317 4.176 6.333 -7.489 1.00 52.41 H new ATOM 0 HB1 ALA A 317 4.267 6.080 -5.030 1.00 2.14 H new ATOM 0 HB2 ALA A 317 3.576 4.641 -5.818 1.00 2.14 H new ATOM 0 HB3 ALA A 317 5.254 4.612 -5.226 1.00 2.14 H new ATOM 129 N ALA A 318 7.370 6.024 -6.869 1.00 13.24 N ATOM 130 CA ALA A 318 8.614 6.767 -6.712 1.00 22.32 C ATOM 131 C ALA A 318 8.910 7.609 -7.948 1.00 24.00 C ATOM 132 O ALA A 318 9.515 8.677 -7.853 1.00 21.51 O ATOM 133 CB ALA A 318 9.766 5.813 -6.432 1.00 62.12 C ATOM 0 H ALA A 318 7.491 5.018 -6.987 1.00 13.24 H new ATOM 0 HA ALA A 318 8.501 7.442 -5.864 1.00 22.32 H new ATOM 0 HB1 ALA A 318 10.689 6.381 -6.317 1.00 62.12 H new ATOM 0 HB2 ALA A 318 9.565 5.258 -5.516 1.00 62.12 H new ATOM 0 HB3 ALA A 318 9.871 5.115 -7.263 1.00 62.12 H new ATOM 139 N ALA A 319 8.481 7.121 -9.107 1.00 41.33 N ATOM 140 CA ALA A 319 8.699 7.830 -10.362 1.00 44.31 C ATOM 141 C ALA A 319 7.576 8.825 -10.633 1.00 40.21 C ATOM 142 O ALA A 319 7.828 9.984 -10.962 1.00 72.15 O ATOM 143 CB ALA A 319 8.821 6.842 -11.512 1.00 73.15 C ATOM 0 H ALA A 319 7.980 6.237 -9.203 1.00 41.33 H new ATOM 0 HA ALA A 319 9.631 8.389 -10.278 1.00 44.31 H new ATOM 0 HB1 ALA A 319 8.983 7.385 -12.443 1.00 73.15 H new ATOM 0 HB2 ALA A 319 9.663 6.174 -11.330 1.00 73.15 H new ATOM 0 HB3 ALA A 319 7.904 6.258 -11.588 1.00 73.15 H new ATOM 149 N GLN A 320 6.337 8.365 -10.493 1.00 22.41 N ATOM 150 CA GLN A 320 5.176 9.215 -10.724 1.00 53.15 C ATOM 151 C GLN A 320 5.283 10.511 -9.928 1.00 51.43 C ATOM 152 O GLN A 320 4.797 11.557 -10.359 1.00 31.41 O ATOM 153 CB GLN A 320 3.892 8.475 -10.346 1.00 73.11 C ATOM 154 CG GLN A 320 3.621 8.451 -8.850 1.00 44.04 C ATOM 155 CD GLN A 320 2.789 9.631 -8.389 1.00 33.21 C ATOM 156 OE1 GLN A 320 3.323 10.642 -7.932 1.00 30.43 O ATOM 157 NE2 GLN A 320 1.472 9.508 -8.506 1.00 53.24 N ATOM 0 H GLN A 320 6.112 7.408 -10.221 1.00 22.41 H new ATOM 0 HA GLN A 320 5.145 9.463 -11.785 1.00 53.15 H new ATOM 0 HB2 GLN A 320 3.049 8.946 -10.852 1.00 73.11 H new ATOM 0 HB3 GLN A 320 3.952 7.450 -10.712 1.00 73.11 H new ATOM 0 HG2 GLN A 320 3.106 7.525 -8.593 1.00 44.04 H new ATOM 0 HG3 GLN A 320 4.569 8.448 -8.313 1.00 44.04 H new ATOM 0 HE21 GLN A 320 1.072 8.652 -8.890 1.00 53.24 H new ATOM 0 HE22 GLN A 320 0.861 10.269 -8.212 1.00 53.24 H new ATOM 166 N GLU A 321 5.922 10.435 -8.765 1.00 70.31 N ATOM 167 CA GLU A 321 6.091 11.603 -7.909 1.00 21.22 C ATOM 168 C GLU A 321 7.246 12.472 -8.397 1.00 2.53 C ATOM 169 O GLU A 321 7.191 13.699 -8.313 1.00 72.24 O ATOM 170 CB GLU A 321 6.339 11.171 -6.462 1.00 65.41 C ATOM 171 CG GLU A 321 7.646 10.420 -6.267 1.00 2.11 C ATOM 172 CD GLU A 321 7.882 10.025 -4.822 1.00 74.20 C ATOM 173 OE1 GLU A 321 9.053 10.023 -4.390 1.00 62.12 O ATOM 174 OE2 GLU A 321 6.893 9.717 -4.123 1.00 42.41 O ATOM 0 H GLU A 321 6.331 9.577 -8.394 1.00 70.31 H new ATOM 0 HA GLU A 321 5.174 12.190 -7.953 1.00 21.22 H new ATOM 0 HB2 GLU A 321 6.338 12.054 -5.823 1.00 65.41 H new ATOM 0 HB3 GLU A 321 5.514 10.539 -6.134 1.00 65.41 H new ATOM 0 HG2 GLU A 321 7.642 9.525 -6.889 1.00 2.11 H new ATOM 0 HG3 GLU A 321 8.473 11.042 -6.609 1.00 2.11 H new ATOM 181 N GLU A 322 8.291 11.827 -8.905 1.00 44.22 N ATOM 182 CA GLU A 322 9.460 12.542 -9.405 1.00 61.30 C ATOM 183 C GLU A 322 9.126 13.304 -10.684 1.00 71.00 C ATOM 184 O GLU A 322 9.483 14.473 -10.834 1.00 32.31 O ATOM 185 CB GLU A 322 10.609 11.566 -9.665 1.00 64.35 C ATOM 186 CG GLU A 322 11.406 11.217 -8.419 1.00 74.54 C ATOM 187 CD GLU A 322 12.519 12.208 -8.141 1.00 72.15 C ATOM 188 OE1 GLU A 322 12.604 12.699 -6.997 1.00 4.32 O ATOM 189 OE2 GLU A 322 13.305 12.492 -9.070 1.00 33.03 O ATOM 0 H GLU A 322 8.352 10.812 -8.981 1.00 44.22 H new ATOM 0 HA GLU A 322 9.768 13.260 -8.645 1.00 61.30 H new ATOM 0 HB2 GLU A 322 10.206 10.650 -10.096 1.00 64.35 H new ATOM 0 HB3 GLU A 322 11.281 11.998 -10.406 1.00 64.35 H new ATOM 0 HG2 GLU A 322 10.734 11.181 -7.561 1.00 74.54 H new ATOM 0 HG3 GLU A 322 11.832 10.220 -8.532 1.00 74.54 H new ATOM 196 N ARG A 323 8.439 12.633 -11.603 1.00 44.33 N ATOM 197 CA ARG A 323 8.058 13.246 -12.870 1.00 64.22 C ATOM 198 C ARG A 323 7.102 14.413 -12.644 1.00 10.12 C ATOM 199 O ARG A 323 7.406 15.555 -12.991 1.00 51.12 O ATOM 200 CB ARG A 323 7.407 12.209 -13.787 1.00 34.11 C ATOM 201 CG ARG A 323 8.274 10.986 -14.036 1.00 35.40 C ATOM 202 CD ARG A 323 7.918 10.309 -15.351 1.00 1.23 C ATOM 203 NE ARG A 323 9.073 9.653 -15.958 1.00 54.14 N ATOM 204 CZ ARG A 323 8.986 8.822 -16.991 1.00 44.11 C ATOM 205 NH1 ARG A 323 7.806 8.548 -17.529 1.00 31.43 N ATOM 206 NH2 ARG A 323 10.083 8.264 -17.489 1.00 13.04 N ATOM 0 H ARG A 323 8.135 11.665 -11.494 1.00 44.33 H new ATOM 0 HA ARG A 323 8.961 13.627 -13.347 1.00 64.22 H new ATOM 0 HB2 ARG A 323 6.462 11.890 -13.347 1.00 34.11 H new ATOM 0 HB3 ARG A 323 7.172 12.678 -14.743 1.00 34.11 H new ATOM 0 HG2 ARG A 323 9.324 11.279 -14.049 1.00 35.40 H new ATOM 0 HG3 ARG A 323 8.151 10.278 -13.216 1.00 35.40 H new ATOM 0 HD2 ARG A 323 7.132 9.574 -15.179 1.00 1.23 H new ATOM 0 HD3 ARG A 323 7.516 11.049 -16.043 1.00 1.23 H new ATOM 0 HE ARG A 323 9.996 9.843 -15.568 1.00 54.14 H new ATOM 0 HH11 ARG A 323 6.961 8.976 -17.150 1.00 31.43 H new ATOM 0 HH12 ARG A 323 7.743 7.910 -18.322 1.00 31.43 H new ATOM 0 HH21 ARG A 323 10.993 8.473 -17.079 1.00 13.04 H new ATOM 0 HH22 ARG A 323 10.016 7.626 -18.282 1.00 13.04 H new ATOM 220 N LEU A 324 5.945 14.119 -12.060 1.00 65.22 N ATOM 221 CA LEU A 324 4.944 15.143 -11.788 1.00 15.44 C ATOM 222 C LEU A 324 5.553 16.309 -11.014 1.00 73.44 C ATOM 223 O LEU A 324 5.190 17.465 -11.227 1.00 74.03 O ATOM 224 CB LEU A 324 3.777 14.547 -10.998 1.00 22.31 C ATOM 225 CG LEU A 324 2.646 13.939 -11.828 1.00 14.41 C ATOM 226 CD1 LEU A 324 3.196 12.932 -12.825 1.00 45.34 C ATOM 227 CD2 LEU A 324 1.612 13.286 -10.923 1.00 31.54 C ATOM 0 H LEU A 324 5.678 13.180 -11.766 1.00 65.22 H new ATOM 0 HA LEU A 324 4.575 15.517 -12.743 1.00 15.44 H new ATOM 0 HB2 LEU A 324 4.169 13.776 -10.335 1.00 22.31 H new ATOM 0 HB3 LEU A 324 3.357 15.328 -10.365 1.00 22.31 H new ATOM 0 HG LEU A 324 2.159 14.740 -12.384 1.00 14.41 H new ATOM 0 HD11 LEU A 324 2.376 12.510 -13.406 1.00 45.34 H new ATOM 0 HD12 LEU A 324 3.897 13.429 -13.495 1.00 45.34 H new ATOM 0 HD13 LEU A 324 3.710 12.133 -12.290 1.00 45.34 H new ATOM 0 HD21 LEU A 324 0.815 12.859 -11.531 1.00 31.54 H new ATOM 0 HD22 LEU A 324 2.086 12.497 -10.339 1.00 31.54 H new ATOM 0 HD23 LEU A 324 1.194 14.034 -10.250 1.00 31.54 H new ATOM 239 N ALA A 325 6.482 15.996 -10.118 1.00 23.53 N ATOM 240 CA ALA A 325 7.145 17.017 -9.316 1.00 61.31 C ATOM 241 C ALA A 325 7.708 18.127 -10.197 1.00 72.23 C ATOM 242 O ALA A 325 7.702 19.298 -9.816 1.00 63.54 O ATOM 243 CB ALA A 325 8.251 16.394 -8.478 1.00 24.23 C ATOM 0 H ALA A 325 6.793 15.043 -9.929 1.00 23.53 H new ATOM 0 HA ALA A 325 6.404 17.458 -8.650 1.00 61.31 H new ATOM 0 HB1 ALA A 325 8.737 17.168 -7.884 1.00 24.23 H new ATOM 0 HB2 ALA A 325 7.825 15.642 -7.814 1.00 24.23 H new ATOM 0 HB3 ALA A 325 8.984 15.925 -9.134 1.00 24.23 H new ATOM 249 N ASP A 326 8.193 17.752 -11.376 1.00 21.45 N ATOM 250 CA ASP A 326 8.759 18.716 -12.311 1.00 45.13 C ATOM 251 C ASP A 326 7.789 19.867 -12.559 1.00 45.10 C ATOM 252 O ASP A 326 8.199 21.022 -12.684 1.00 52.11 O ATOM 253 CB ASP A 326 9.107 18.032 -13.634 1.00 72.34 C ATOM 254 CG ASP A 326 10.286 17.088 -13.506 1.00 30.42 C ATOM 255 OD1 ASP A 326 11.355 17.533 -13.037 1.00 52.04 O ATOM 256 OD2 ASP A 326 10.140 15.903 -13.873 1.00 11.23 O ATOM 0 H ASP A 326 8.205 16.787 -11.706 1.00 21.45 H new ATOM 0 HA ASP A 326 9.670 19.121 -11.870 1.00 45.13 H new ATOM 0 HB2 ASP A 326 8.239 17.478 -13.992 1.00 72.34 H new ATOM 0 HB3 ASP A 326 9.333 18.791 -14.383 1.00 72.34 H new ATOM 261 N LEU A 327 6.503 19.545 -12.630 1.00 33.42 N ATOM 262 CA LEU A 327 5.473 20.552 -12.864 1.00 24.52 C ATOM 263 C LEU A 327 4.963 21.125 -11.546 1.00 3.33 C ATOM 264 O LEU A 327 4.858 22.341 -11.386 1.00 24.12 O ATOM 265 CB LEU A 327 4.311 19.947 -13.654 1.00 2.22 C ATOM 266 CG LEU A 327 3.539 20.911 -14.555 1.00 43.33 C ATOM 267 CD1 LEU A 327 2.868 21.995 -13.726 1.00 53.24 C ATOM 268 CD2 LEU A 327 4.465 21.528 -15.593 1.00 44.14 C ATOM 0 H LEU A 327 6.148 18.594 -12.529 1.00 33.42 H new ATOM 0 HA LEU A 327 5.916 21.362 -13.444 1.00 24.52 H new ATOM 0 HB2 LEU A 327 4.700 19.137 -14.271 1.00 2.22 H new ATOM 0 HB3 LEU A 327 3.611 19.501 -12.948 1.00 2.22 H new ATOM 0 HG LEU A 327 2.764 20.349 -15.076 1.00 43.33 H new ATOM 0 HD11 LEU A 327 2.323 22.672 -14.384 1.00 53.24 H new ATOM 0 HD12 LEU A 327 2.174 21.537 -13.022 1.00 53.24 H new ATOM 0 HD13 LEU A 327 3.625 22.554 -13.177 1.00 53.24 H new ATOM 0 HD21 LEU A 327 3.898 22.211 -16.226 1.00 44.14 H new ATOM 0 HD22 LEU A 327 5.262 22.076 -15.090 1.00 44.14 H new ATOM 0 HD23 LEU A 327 4.899 20.740 -16.208 1.00 44.14 H new ATOM 280 N ALA A 328 4.650 20.242 -10.604 1.00 34.22 N ATOM 281 CA ALA A 328 4.155 20.660 -9.298 1.00 52.42 C ATOM 282 C ALA A 328 5.077 21.699 -8.669 1.00 11.30 C ATOM 283 O ALA A 328 4.616 22.667 -8.063 1.00 71.33 O ATOM 284 CB ALA A 328 4.007 19.457 -8.379 1.00 25.01 C ATOM 0 H ALA A 328 4.730 19.232 -10.721 1.00 34.22 H new ATOM 0 HA ALA A 328 3.176 21.118 -9.438 1.00 52.42 H new ATOM 0 HB1 ALA A 328 3.637 19.785 -7.408 1.00 25.01 H new ATOM 0 HB2 ALA A 328 3.302 18.750 -8.816 1.00 25.01 H new ATOM 0 HB3 ALA A 328 4.976 18.974 -8.254 1.00 25.01 H new ATOM 290 N SER A 329 6.382 21.492 -8.816 1.00 14.31 N ATOM 291 CA SER A 329 7.369 22.409 -8.258 1.00 13.02 C ATOM 292 C SER A 329 7.446 23.691 -9.081 1.00 42.04 C ATOM 293 O SER A 329 7.635 24.780 -8.539 1.00 22.11 O ATOM 294 CB SER A 329 8.744 21.740 -8.204 1.00 13.33 C ATOM 295 OG SER A 329 9.616 22.438 -7.331 1.00 72.51 O ATOM 0 H SER A 329 6.780 20.698 -9.317 1.00 14.31 H new ATOM 0 HA SER A 329 7.058 22.667 -7.246 1.00 13.02 H new ATOM 0 HB2 SER A 329 8.637 20.708 -7.868 1.00 13.33 H new ATOM 0 HB3 SER A 329 9.176 21.707 -9.204 1.00 13.33 H new ATOM 0 HG SER A 329 10.488 21.990 -7.312 1.00 72.51 H new ATOM 301 N ASP A 330 7.299 23.553 -10.394 1.00 70.23 N ATOM 302 CA ASP A 330 7.351 24.699 -11.294 1.00 50.14 C ATOM 303 C ASP A 330 6.393 25.794 -10.836 1.00 1.24 C ATOM 304 O ASP A 330 6.753 26.971 -10.794 1.00 3.45 O ATOM 305 CB ASP A 330 7.008 24.270 -12.722 1.00 23.32 C ATOM 306 CG ASP A 330 7.334 25.342 -13.743 1.00 14.12 C ATOM 307 OD1 ASP A 330 7.159 26.537 -13.425 1.00 3.34 O ATOM 308 OD2 ASP A 330 7.763 24.986 -14.860 1.00 3.31 O ATOM 0 H ASP A 330 7.143 22.659 -10.859 1.00 70.23 H new ATOM 0 HA ASP A 330 8.366 25.097 -11.276 1.00 50.14 H new ATOM 0 HB2 ASP A 330 7.557 23.361 -12.967 1.00 23.32 H new ATOM 0 HB3 ASP A 330 5.947 24.027 -12.780 1.00 23.32 H new ATOM 313 N LEU A 331 5.172 25.399 -10.494 1.00 13.45 N ATOM 314 CA LEU A 331 4.161 26.347 -10.038 1.00 54.44 C ATOM 315 C LEU A 331 4.318 26.639 -8.550 1.00 22.25 C ATOM 316 O LEU A 331 4.099 27.764 -8.100 1.00 2.35 O ATOM 317 CB LEU A 331 2.759 25.802 -10.317 1.00 61.44 C ATOM 318 CG LEU A 331 2.274 24.690 -9.387 1.00 23.44 C ATOM 319 CD1 LEU A 331 1.539 25.276 -8.192 1.00 1.44 C ATOM 320 CD2 LEU A 331 1.380 23.716 -10.140 1.00 30.33 C ATOM 0 H LEU A 331 4.858 24.429 -10.524 1.00 13.45 H new ATOM 0 HA LEU A 331 4.299 27.278 -10.588 1.00 54.44 H new ATOM 0 HB2 LEU A 331 2.052 26.629 -10.261 1.00 61.44 H new ATOM 0 HB3 LEU A 331 2.733 25.429 -11.341 1.00 61.44 H new ATOM 0 HG LEU A 331 3.144 24.145 -9.021 1.00 23.44 H new ATOM 0 HD11 LEU A 331 1.201 24.469 -7.541 1.00 1.44 H new ATOM 0 HD12 LEU A 331 2.210 25.932 -7.638 1.00 1.44 H new ATOM 0 HD13 LEU A 331 0.678 25.847 -8.539 1.00 1.44 H new ATOM 0 HD21 LEU A 331 1.044 22.931 -9.462 1.00 30.33 H new ATOM 0 HD22 LEU A 331 0.515 24.248 -10.536 1.00 30.33 H new ATOM 0 HD23 LEU A 331 1.939 23.270 -10.962 1.00 30.33 H new ATOM 332 N LEU A 332 4.701 25.619 -7.790 1.00 23.42 N ATOM 333 CA LEU A 332 4.891 25.765 -6.351 1.00 0.22 C ATOM 334 C LEU A 332 5.948 26.822 -6.046 1.00 33.02 C ATOM 335 O LEU A 332 5.660 27.838 -5.412 1.00 50.41 O ATOM 336 CB LEU A 332 5.298 24.427 -5.731 1.00 51.03 C ATOM 337 CG LEU A 332 5.434 24.406 -4.208 1.00 45.44 C ATOM 338 CD1 LEU A 332 5.149 23.015 -3.666 1.00 32.23 C ATOM 339 CD2 LEU A 332 6.823 24.869 -3.791 1.00 71.02 C ATOM 0 H LEU A 332 4.886 24.681 -8.146 1.00 23.42 H new ATOM 0 HA LEU A 332 3.945 26.087 -5.916 1.00 0.22 H new ATOM 0 HB2 LEU A 332 4.562 23.677 -6.020 1.00 51.03 H new ATOM 0 HB3 LEU A 332 6.251 24.123 -6.165 1.00 51.03 H new ATOM 0 HG LEU A 332 4.701 25.094 -3.787 1.00 45.44 H new ATOM 0 HD11 LEU A 332 5.251 23.019 -2.581 1.00 32.23 H new ATOM 0 HD12 LEU A 332 4.134 22.721 -3.934 1.00 32.23 H new ATOM 0 HD13 LEU A 332 5.857 22.306 -4.094 1.00 32.23 H new ATOM 0 HD21 LEU A 332 6.902 24.848 -2.704 1.00 71.02 H new ATOM 0 HD22 LEU A 332 7.572 24.206 -4.223 1.00 71.02 H new ATOM 0 HD23 LEU A 332 6.990 25.885 -4.147 1.00 71.02 H new ATOM 351 N LEU A 333 7.171 26.577 -6.502 1.00 71.11 N ATOM 352 CA LEU A 333 8.271 27.509 -6.280 1.00 63.43 C ATOM 353 C LEU A 333 7.888 28.918 -6.720 1.00 3.23 C ATOM 354 O LEU A 333 8.286 29.902 -6.096 1.00 71.23 O ATOM 355 CB LEU A 333 9.517 27.047 -7.038 1.00 63.21 C ATOM 356 CG LEU A 333 10.856 27.548 -6.497 1.00 5.24 C ATOM 357 CD1 LEU A 333 11.962 26.549 -6.798 1.00 63.25 C ATOM 358 CD2 LEU A 333 11.192 28.911 -7.084 1.00 3.45 C ATOM 0 H LEU A 333 7.426 25.741 -7.028 1.00 71.11 H new ATOM 0 HA LEU A 333 8.489 27.528 -5.212 1.00 63.43 H new ATOM 0 HB2 LEU A 333 9.533 25.957 -7.040 1.00 63.21 H new ATOM 0 HB3 LEU A 333 9.425 27.366 -8.076 1.00 63.21 H new ATOM 0 HG LEU A 333 10.773 27.651 -5.415 1.00 5.24 H new ATOM 0 HD11 LEU A 333 12.907 26.923 -6.405 1.00 63.25 H new ATOM 0 HD12 LEU A 333 11.727 25.594 -6.329 1.00 63.25 H new ATOM 0 HD13 LEU A 333 12.046 26.413 -7.876 1.00 63.25 H new ATOM 0 HD21 LEU A 333 12.148 29.252 -6.688 1.00 3.45 H new ATOM 0 HD22 LEU A 333 11.256 28.834 -8.169 1.00 3.45 H new ATOM 0 HD23 LEU A 333 10.413 29.625 -6.816 1.00 3.45 H new ATOM 370 N GLN A 334 7.112 29.007 -7.795 1.00 65.23 N ATOM 371 CA GLN A 334 6.675 30.296 -8.317 1.00 13.35 C ATOM 372 C GLN A 334 5.804 31.027 -7.300 1.00 10.22 C ATOM 373 O GLN A 334 5.888 32.247 -7.159 1.00 3.43 O ATOM 374 CB GLN A 334 5.903 30.106 -9.624 1.00 0.44 C ATOM 375 CG GLN A 334 5.439 31.411 -10.251 1.00 71.11 C ATOM 376 CD GLN A 334 6.546 32.124 -11.002 1.00 62.42 C ATOM 377 OE1 GLN A 334 6.803 33.307 -10.778 1.00 33.24 O ATOM 378 NE2 GLN A 334 7.210 31.405 -11.901 1.00 12.54 N ATOM 0 H GLN A 334 6.773 28.202 -8.321 1.00 65.23 H new ATOM 0 HA GLN A 334 7.561 30.900 -8.512 1.00 13.35 H new ATOM 0 HB2 GLN A 334 6.535 29.575 -10.336 1.00 0.44 H new ATOM 0 HB3 GLN A 334 5.035 29.474 -9.435 1.00 0.44 H new ATOM 0 HG2 GLN A 334 4.614 31.208 -10.934 1.00 71.11 H new ATOM 0 HG3 GLN A 334 5.053 32.067 -9.471 1.00 71.11 H new ATOM 0 HE21 GLN A 334 6.964 30.427 -12.055 1.00 12.54 H new ATOM 0 HE22 GLN A 334 7.966 31.831 -12.437 1.00 12.54 H new ATOM 387 N TYR A 335 4.968 30.274 -6.594 1.00 60.33 N ATOM 388 CA TYR A 335 4.079 30.850 -5.592 1.00 45.43 C ATOM 389 C TYR A 335 4.872 31.617 -4.538 1.00 0.20 C ATOM 390 O TYR A 335 4.423 32.648 -4.035 1.00 4.13 O ATOM 391 CB TYR A 335 3.249 29.753 -4.924 1.00 64.12 C ATOM 392 CG TYR A 335 2.157 30.284 -4.024 1.00 75.41 C ATOM 393 CD1 TYR A 335 2.003 29.804 -2.729 1.00 13.41 C ATOM 394 CD2 TYR A 335 1.277 31.263 -4.469 1.00 23.02 C ATOM 395 CE1 TYR A 335 1.005 30.286 -1.903 1.00 23.40 C ATOM 396 CE2 TYR A 335 0.278 31.751 -3.649 1.00 51.15 C ATOM 397 CZ TYR A 335 0.146 31.259 -2.368 1.00 12.24 C ATOM 398 OH TYR A 335 -0.849 31.742 -1.549 1.00 33.21 O ATOM 0 H TYR A 335 4.887 29.262 -6.697 1.00 60.33 H new ATOM 0 HA TYR A 335 3.409 31.547 -6.095 1.00 45.43 H new ATOM 0 HB2 TYR A 335 2.800 29.128 -5.696 1.00 64.12 H new ATOM 0 HB3 TYR A 335 3.911 29.113 -4.340 1.00 64.12 H new ATOM 0 HD1 TYR A 335 2.674 29.042 -2.362 1.00 13.41 H new ATOM 0 HD2 TYR A 335 1.376 31.649 -5.473 1.00 23.02 H new ATOM 0 HE1 TYR A 335 0.899 29.903 -0.899 1.00 23.40 H new ATOM 0 HE2 TYR A 335 -0.396 32.514 -4.010 1.00 51.15 H new ATOM 0 HH TYR A 335 -1.365 32.423 -2.028 1.00 33.21 H new ATOM 408 N LEU A 336 6.053 31.107 -4.209 1.00 25.13 N ATOM 409 CA LEU A 336 6.911 31.743 -3.215 1.00 22.34 C ATOM 410 C LEU A 336 7.286 33.158 -3.644 1.00 34.25 C ATOM 411 O LEU A 336 6.867 34.137 -3.024 1.00 61.13 O ATOM 412 CB LEU A 336 8.177 30.911 -2.998 1.00 10.51 C ATOM 413 CG LEU A 336 7.976 29.400 -2.886 1.00 63.33 C ATOM 414 CD1 LEU A 336 9.299 28.705 -2.602 1.00 41.31 C ATOM 415 CD2 LEU A 336 6.958 29.075 -1.803 1.00 0.50 C ATOM 0 H LEU A 336 6.439 30.255 -4.616 1.00 25.13 H new ATOM 0 HA LEU A 336 6.357 31.802 -2.278 1.00 22.34 H new ATOM 0 HB2 LEU A 336 8.862 31.106 -3.823 1.00 10.51 H new ATOM 0 HB3 LEU A 336 8.666 31.261 -2.089 1.00 10.51 H new ATOM 0 HG LEU A 336 7.593 29.033 -3.838 1.00 63.33 H new ATOM 0 HD11 LEU A 336 9.136 27.630 -2.526 1.00 41.31 H new ATOM 0 HD12 LEU A 336 9.999 28.909 -3.412 1.00 41.31 H new ATOM 0 HD13 LEU A 336 9.711 29.077 -1.664 1.00 41.31 H new ATOM 0 HD21 LEU A 336 6.828 27.995 -1.738 1.00 0.50 H new ATOM 0 HD22 LEU A 336 7.312 29.456 -0.845 1.00 0.50 H new ATOM 0 HD23 LEU A 336 6.004 29.541 -2.049 1.00 0.50 H new ATOM 427 N LEU A 337 8.074 33.259 -4.708 1.00 22.53 N ATOM 428 CA LEU A 337 8.504 34.554 -5.222 1.00 15.51 C ATOM 429 C LEU A 337 7.302 35.416 -5.598 1.00 4.21 C ATOM 430 O LEU A 337 7.248 36.600 -5.265 1.00 71.31 O ATOM 431 CB LEU A 337 9.412 34.367 -6.438 1.00 50.13 C ATOM 432 CG LEU A 337 9.745 35.633 -7.229 1.00 33.01 C ATOM 433 CD1 LEU A 337 11.141 35.539 -7.825 1.00 32.24 C ATOM 434 CD2 LEU A 337 8.711 35.867 -8.321 1.00 63.53 C ATOM 0 H LEU A 337 8.428 32.459 -5.232 1.00 22.53 H new ATOM 0 HA LEU A 337 9.062 35.063 -4.436 1.00 15.51 H new ATOM 0 HB2 LEU A 337 10.346 33.916 -6.103 1.00 50.13 H new ATOM 0 HB3 LEU A 337 8.939 33.655 -7.114 1.00 50.13 H new ATOM 0 HG LEU A 337 9.721 36.482 -6.546 1.00 33.01 H new ATOM 0 HD11 LEU A 337 11.360 36.449 -8.384 1.00 32.24 H new ATOM 0 HD12 LEU A 337 11.871 35.420 -7.024 1.00 32.24 H new ATOM 0 HD13 LEU A 337 11.194 34.680 -8.494 1.00 32.24 H new ATOM 0 HD21 LEU A 337 8.964 36.772 -8.874 1.00 63.53 H new ATOM 0 HD22 LEU A 337 8.702 35.016 -9.002 1.00 63.53 H new ATOM 0 HD23 LEU A 337 7.725 35.981 -7.870 1.00 63.53 H new ATOM 446 N GLN A 338 6.342 34.813 -6.291 1.00 11.30 N ATOM 447 CA GLN A 338 5.141 35.526 -6.710 1.00 71.14 C ATOM 448 C GLN A 338 4.486 36.232 -5.528 1.00 30.02 C ATOM 449 O GLN A 338 3.938 37.324 -5.670 1.00 11.21 O ATOM 450 CB GLN A 338 4.147 34.558 -7.356 1.00 4.32 C ATOM 451 CG GLN A 338 2.983 35.252 -8.045 1.00 65.53 C ATOM 452 CD GLN A 338 2.223 34.328 -8.976 1.00 52.14 C ATOM 453 OE1 GLN A 338 1.167 33.803 -8.622 1.00 61.41 O ATOM 454 NE2 GLN A 338 2.756 34.125 -10.175 1.00 42.34 N ATOM 0 H GLN A 338 6.372 33.834 -6.574 1.00 11.30 H new ATOM 0 HA GLN A 338 5.433 36.279 -7.442 1.00 71.14 H new ATOM 0 HB2 GLN A 338 4.674 33.941 -8.084 1.00 4.32 H new ATOM 0 HB3 GLN A 338 3.758 33.886 -6.591 1.00 4.32 H new ATOM 0 HG2 GLN A 338 2.300 35.644 -7.291 1.00 65.53 H new ATOM 0 HG3 GLN A 338 3.357 36.105 -8.611 1.00 65.53 H new ATOM 0 HE21 GLN A 338 3.633 34.580 -10.427 1.00 42.34 H new ATOM 0 HE22 GLN A 338 2.288 33.514 -10.844 1.00 42.34 H new ATOM 463 N GLY A 339 4.547 35.600 -4.360 1.00 34.34 N ATOM 464 CA GLY A 339 3.955 36.182 -3.169 1.00 50.23 C ATOM 465 C GLY A 339 4.821 37.269 -2.564 1.00 53.42 C ATOM 466 O GLY A 339 4.391 38.415 -2.436 1.00 44.21 O ATOM 0 H GLY A 339 4.996 34.695 -4.217 1.00 34.34 H new ATOM 0 HA2 GLY A 339 2.978 36.596 -3.418 1.00 50.23 H new ATOM 0 HA3 GLY A 339 3.790 35.399 -2.429 1.00 50.23 H new ATOM 470 N GLY A 340 6.044 36.909 -2.189 1.00 4.31 N ATOM 471 CA GLY A 340 6.953 37.874 -1.596 1.00 74.15 C ATOM 472 C GLY A 340 7.129 39.109 -2.458 1.00 22.24 C ATOM 473 O GLY A 340 7.145 40.230 -1.951 1.00 11.02 O ATOM 0 H GLY A 340 6.422 35.967 -2.285 1.00 4.31 H new ATOM 0 HA2 GLY A 340 6.577 38.169 -0.616 1.00 74.15 H new ATOM 0 HA3 GLY A 340 7.924 37.404 -1.437 1.00 74.15 H new ATOM 477 N ALA A 341 7.264 38.903 -3.764 1.00 2.13 N ATOM 478 CA ALA A 341 7.440 40.009 -4.697 1.00 24.21 C ATOM 479 C ALA A 341 6.354 41.063 -4.511 1.00 71.50 C ATOM 480 O ALA A 341 6.628 42.262 -4.541 1.00 40.41 O ATOM 481 CB ALA A 341 7.441 39.496 -6.129 1.00 60.42 C ATOM 0 H ALA A 341 7.255 37.981 -4.200 1.00 2.13 H new ATOM 0 HA ALA A 341 8.402 40.477 -4.490 1.00 24.21 H new ATOM 0 HB1 ALA A 341 7.573 40.333 -6.815 1.00 60.42 H new ATOM 0 HB2 ALA A 341 8.258 38.786 -6.261 1.00 60.42 H new ATOM 0 HB3 ALA A 341 6.493 39.001 -6.339 1.00 60.42 H new ATOM 487 N ARG A 342 5.120 40.606 -4.320 1.00 3.53 N ATOM 488 CA ARG A 342 3.992 41.511 -4.131 1.00 62.40 C ATOM 489 C ARG A 342 4.236 42.445 -2.950 1.00 21.04 C ATOM 490 O ARG A 342 3.844 43.611 -2.978 1.00 13.02 O ATOM 491 CB ARG A 342 2.705 40.715 -3.908 1.00 60.52 C ATOM 492 CG ARG A 342 2.237 39.956 -5.139 1.00 40.14 C ATOM 493 CD ARG A 342 1.501 40.868 -6.109 1.00 34.44 C ATOM 494 NE ARG A 342 2.406 41.488 -7.072 1.00 61.43 N ATOM 495 CZ ARG A 342 2.010 42.345 -8.006 1.00 42.50 C ATOM 496 NH1 ARG A 342 0.732 42.684 -8.101 1.00 73.42 N ATOM 497 NH2 ARG A 342 2.894 42.868 -8.847 1.00 22.53 N ATOM 0 H ARG A 342 4.876 39.616 -4.292 1.00 3.53 H new ATOM 0 HA ARG A 342 3.887 42.114 -5.033 1.00 62.40 H new ATOM 0 HB2 ARG A 342 2.862 40.008 -3.093 1.00 60.52 H new ATOM 0 HB3 ARG A 342 1.916 41.397 -3.591 1.00 60.52 H new ATOM 0 HG2 ARG A 342 3.095 39.507 -5.639 1.00 40.14 H new ATOM 0 HG3 ARG A 342 1.581 39.139 -4.837 1.00 40.14 H new ATOM 0 HD2 ARG A 342 0.743 40.294 -6.642 1.00 34.44 H new ATOM 0 HD3 ARG A 342 0.979 41.645 -5.551 1.00 34.44 H new ATOM 0 HE ARG A 342 3.397 41.250 -7.025 1.00 61.43 H new ATOM 0 HH11 ARG A 342 0.050 42.286 -7.456 1.00 73.42 H new ATOM 0 HH12 ARG A 342 0.431 43.343 -8.819 1.00 73.42 H new ATOM 0 HH21 ARG A 342 3.879 42.612 -8.776 1.00 22.53 H new ATOM 0 HH22 ARG A 342 2.588 43.526 -9.564 1.00 22.53 H new ATOM 511 N GLN A 343 4.885 41.924 -1.914 1.00 24.33 N ATOM 512 CA GLN A 343 5.180 42.711 -0.723 1.00 11.45 C ATOM 513 C GLN A 343 6.435 43.555 -0.924 1.00 75.21 C ATOM 514 O GLN A 343 6.419 44.768 -0.715 1.00 20.25 O ATOM 515 CB GLN A 343 5.356 41.795 0.490 1.00 43.33 C ATOM 516 CG GLN A 343 4.065 41.533 1.247 1.00 13.44 C ATOM 517 CD GLN A 343 3.555 42.763 1.973 1.00 35.44 C ATOM 518 OE1 GLN A 343 4.317 43.470 2.633 1.00 63.34 O ATOM 519 NE2 GLN A 343 2.258 43.024 1.856 1.00 50.30 N ATOM 0 H GLN A 343 5.217 40.960 -1.875 1.00 24.33 H new ATOM 0 HA GLN A 343 4.339 43.381 -0.544 1.00 11.45 H new ATOM 0 HB2 GLN A 343 5.773 40.844 0.159 1.00 43.33 H new ATOM 0 HB3 GLN A 343 6.082 42.242 1.170 1.00 43.33 H new ATOM 0 HG2 GLN A 343 3.303 41.185 0.549 1.00 13.44 H new ATOM 0 HG3 GLN A 343 4.227 40.731 1.968 1.00 13.44 H new ATOM 0 HE21 GLN A 343 1.663 42.411 1.299 1.00 50.30 H new ATOM 0 HE22 GLN A 343 1.857 43.837 2.323 1.00 50.30 H new ATOM 528 N ARG A 344 7.520 42.904 -1.332 1.00 14.54 N ATOM 529 CA ARG A 344 8.783 43.595 -1.560 1.00 23.32 C ATOM 530 C ARG A 344 8.597 44.769 -2.517 1.00 34.53 C ATOM 531 O ARG A 344 9.144 45.849 -2.304 1.00 2.43 O ATOM 532 CB ARG A 344 9.824 42.625 -2.122 1.00 62.14 C ATOM 533 CG ARG A 344 11.200 43.245 -2.301 1.00 24.10 C ATOM 534 CD ARG A 344 12.241 42.196 -2.662 1.00 1.54 C ATOM 535 NE ARG A 344 12.257 41.911 -4.094 1.00 34.43 N ATOM 536 CZ ARG A 344 12.764 40.799 -4.616 1.00 12.41 C ATOM 537 NH1 ARG A 344 13.294 39.874 -3.828 1.00 12.54 N ATOM 538 NH2 ARG A 344 12.741 40.612 -5.929 1.00 71.52 N ATOM 0 H ARG A 344 7.549 41.900 -1.511 1.00 14.54 H new ATOM 0 HA ARG A 344 9.134 43.982 -0.603 1.00 23.32 H new ATOM 0 HB2 ARG A 344 9.906 41.767 -1.455 1.00 62.14 H new ATOM 0 HB3 ARG A 344 9.476 42.249 -3.084 1.00 62.14 H new ATOM 0 HG2 ARG A 344 11.160 44.003 -3.083 1.00 24.10 H new ATOM 0 HG3 ARG A 344 11.495 43.751 -1.381 1.00 24.10 H new ATOM 0 HD2 ARG A 344 13.227 42.541 -2.350 1.00 1.54 H new ATOM 0 HD3 ARG A 344 12.036 41.278 -2.112 1.00 1.54 H new ATOM 0 HE ARG A 344 11.857 42.603 -4.728 1.00 34.43 H new ATOM 0 HH11 ARG A 344 13.313 40.015 -2.818 1.00 12.54 H new ATOM 0 HH12 ARG A 344 13.682 39.022 -4.232 1.00 12.54 H new ATOM 0 HH21 ARG A 344 12.334 41.322 -6.538 1.00 71.52 H new ATOM 0 HH22 ARG A 344 13.130 39.758 -6.329 1.00 71.52 H new ATOM 552 N GLY A 345 7.819 44.547 -3.573 1.00 3.14 N ATOM 553 CA GLY A 345 7.575 45.595 -4.546 1.00 72.25 C ATOM 554 C GLY A 345 7.092 46.881 -3.906 1.00 33.23 C ATOM 555 O GLY A 345 7.426 47.975 -4.362 1.00 61.34 O ATOM 0 H GLY A 345 7.354 43.661 -3.771 1.00 3.14 H new ATOM 0 HA2 GLY A 345 8.492 45.792 -5.101 1.00 72.25 H new ATOM 0 HA3 GLY A 345 6.834 45.251 -5.267 1.00 72.25 H new ATOM 559 N LEU A 346 6.302 46.751 -2.846 1.00 14.13 N ATOM 560 CA LEU A 346 5.770 47.913 -2.141 1.00 75.53 C ATOM 561 C LEU A 346 6.888 48.875 -1.756 1.00 42.31 C ATOM 562 O LEU A 346 7.713 48.572 -0.895 1.00 51.11 O ATOM 563 CB LEU A 346 5.008 47.470 -0.890 1.00 43.43 C ATOM 564 CG LEU A 346 3.676 48.174 -0.632 1.00 13.33 C ATOM 565 CD1 LEU A 346 3.890 49.667 -0.438 1.00 15.44 C ATOM 566 CD2 LEU A 346 2.706 47.917 -1.776 1.00 32.34 C ATOM 0 H LEU A 346 6.016 45.853 -2.456 1.00 14.13 H new ATOM 0 HA LEU A 346 5.085 48.432 -2.811 1.00 75.53 H new ATOM 0 HB2 LEU A 346 4.822 46.398 -0.963 1.00 43.43 H new ATOM 0 HB3 LEU A 346 5.651 47.624 -0.024 1.00 43.43 H new ATOM 0 HG LEU A 346 3.244 47.768 0.282 1.00 13.33 H new ATOM 0 HD11 LEU A 346 2.931 50.151 -0.256 1.00 15.44 H new ATOM 0 HD12 LEU A 346 4.548 49.832 0.415 1.00 15.44 H new ATOM 0 HD13 LEU A 346 4.345 50.089 -1.334 1.00 15.44 H new ATOM 0 HD21 LEU A 346 1.763 48.426 -1.575 1.00 32.34 H new ATOM 0 HD22 LEU A 346 3.131 48.295 -2.706 1.00 32.34 H new ATOM 0 HD23 LEU A 346 2.528 46.846 -1.868 1.00 32.34 H new