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= -0.0207 X(o=-0.021,f=-0.021) USER MOD Single : A 320 GLN : amide:sc= -2.37 K(o=-2.4,f=-9.9!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.005) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 343 GLN : amide:sc= -0.0467 K(o=-0.047,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 6.065 -3.944 -9.644 1.00 71.11 N ATOM 40 CA GLU A 312 5.451 -3.163 -10.711 1.00 51.41 C ATOM 41 C GLU A 312 4.769 -1.918 -10.151 1.00 33.04 C ATOM 42 O GLU A 312 5.132 -0.792 -10.490 1.00 32.21 O ATOM 43 CB GLU A 312 4.435 -4.013 -11.477 1.00 23.21 C ATOM 44 CG GLU A 312 4.987 -5.351 -11.939 1.00 64.21 C ATOM 45 CD GLU A 312 4.121 -6.005 -12.998 1.00 30.53 C ATOM 46 OE1 GLU A 312 4.661 -6.376 -14.061 1.00 75.10 O ATOM 47 OE2 GLU A 312 2.903 -6.147 -12.762 1.00 13.01 O ATOM 0 HA GLU A 312 6.239 -2.848 -11.395 1.00 51.41 H new ATOM 0 HB2 GLU A 312 3.567 -4.187 -10.841 1.00 23.21 H new ATOM 0 HB3 GLU A 312 4.087 -3.454 -12.345 1.00 23.21 H new ATOM 0 HG2 GLU A 312 5.992 -5.208 -12.335 1.00 64.21 H new ATOM 0 HG3 GLU A 312 5.074 -6.019 -11.082 1.00 64.21 H new ATOM 54 N ALA A 313 3.778 -2.130 -9.291 1.00 34.20 N ATOM 55 CA ALA A 313 3.045 -1.027 -8.682 1.00 42.21 C ATOM 56 C ALA A 313 3.979 -0.121 -7.886 1.00 33.31 C ATOM 57 O ALA A 313 3.805 1.098 -7.858 1.00 73.40 O ATOM 58 CB ALA A 313 1.935 -1.560 -7.789 1.00 12.33 C ATOM 0 H ALA A 313 3.464 -3.056 -9.000 1.00 34.20 H new ATOM 0 HA ALA A 313 2.600 -0.434 -9.481 1.00 42.21 H new ATOM 0 HB1 ALA A 313 1.396 -0.725 -7.341 1.00 12.33 H new ATOM 0 HB2 ALA A 313 1.246 -2.160 -8.384 1.00 12.33 H new ATOM 0 HB3 ALA A 313 2.367 -2.178 -7.002 1.00 12.33 H new ATOM 64 N THR A 314 4.971 -0.724 -7.238 1.00 34.51 N ATOM 65 CA THR A 314 5.931 0.027 -6.439 1.00 55.25 C ATOM 66 C THR A 314 6.763 0.958 -7.313 1.00 41.33 C ATOM 67 O THR A 314 7.113 2.064 -6.901 1.00 11.22 O ATOM 68 CB THR A 314 6.874 -0.912 -5.665 1.00 5.11 C ATOM 69 OG1 THR A 314 6.117 -1.755 -4.790 1.00 21.20 O ATOM 70 CG2 THR A 314 7.888 -0.115 -4.858 1.00 10.14 C ATOM 0 H THR A 314 5.130 -1.731 -7.251 1.00 34.51 H new ATOM 0 HA THR A 314 5.356 0.619 -5.727 1.00 55.25 H new ATOM 0 HB THR A 314 7.411 -1.528 -6.387 1.00 5.11 H new ATOM 0 HG1 THR A 314 6.724 -2.350 -4.303 1.00 21.20 H new ATOM 0 HG21 THR A 314 8.543 -0.800 -4.320 1.00 10.14 H new ATOM 0 HG22 THR A 314 8.483 0.504 -5.530 1.00 10.14 H new ATOM 0 HG23 THR A 314 7.365 0.523 -4.145 1.00 10.14 H new ATOM 78 N ARG A 315 7.077 0.504 -8.522 1.00 53.34 N ATOM 79 CA ARG A 315 7.869 1.297 -9.454 1.00 40.45 C ATOM 80 C ARG A 315 7.141 2.585 -9.828 1.00 54.04 C ATOM 81 O ARG A 315 7.631 3.684 -9.570 1.00 65.45 O ATOM 82 CB ARG A 315 8.174 0.487 -10.715 1.00 63.15 C ATOM 83 CG ARG A 315 9.309 -0.509 -10.539 1.00 71.15 C ATOM 84 CD ARG A 315 10.666 0.163 -10.673 1.00 43.40 C ATOM 85 NE ARG A 315 10.914 0.631 -12.034 1.00 52.12 N ATOM 86 CZ ARG A 315 12.020 1.268 -12.403 1.00 31.32 C ATOM 87 NH1 ARG A 315 12.975 1.511 -11.516 1.00 65.25 N ATOM 88 NH2 ARG A 315 12.172 1.662 -13.661 1.00 10.24 N ATOM 0 H ARG A 315 6.795 -0.409 -8.879 1.00 53.34 H new ATOM 0 HA ARG A 315 8.806 1.559 -8.963 1.00 40.45 H new ATOM 0 HB2 ARG A 315 7.275 -0.049 -11.018 1.00 63.15 H new ATOM 0 HB3 ARG A 315 8.425 1.172 -11.525 1.00 63.15 H new ATOM 0 HG2 ARG A 315 9.231 -0.982 -9.560 1.00 71.15 H new ATOM 0 HG3 ARG A 315 9.219 -1.300 -11.283 1.00 71.15 H new ATOM 0 HD2 ARG A 315 10.723 1.006 -9.984 1.00 43.40 H new ATOM 0 HD3 ARG A 315 11.448 -0.539 -10.383 1.00 43.40 H new ATOM 0 HE ARG A 315 10.198 0.459 -12.740 1.00 52.12 H new ATOM 0 HH11 ARG A 315 12.861 1.209 -10.548 1.00 65.25 H new ATOM 0 HH12 ARG A 315 13.823 2.000 -11.801 1.00 65.25 H new ATOM 0 HH21 ARG A 315 11.439 1.476 -14.346 1.00 10.24 H new ATOM 0 HH22 ARG A 315 13.022 2.151 -13.943 1.00 10.24 H new ATOM 102 N GLN A 316 5.968 2.440 -10.438 1.00 3.14 N ATOM 103 CA GLN A 316 5.174 3.592 -10.848 1.00 34.31 C ATOM 104 C GLN A 316 4.969 4.555 -9.683 1.00 61.31 C ATOM 105 O GLN A 316 4.995 5.772 -9.860 1.00 12.31 O ATOM 106 CB GLN A 316 3.819 3.135 -11.392 1.00 13.42 C ATOM 107 CG GLN A 316 3.041 2.255 -10.427 1.00 62.40 C ATOM 108 CD GLN A 316 1.724 1.777 -11.005 1.00 72.12 C ATOM 109 OE1 GLN A 316 0.653 2.098 -10.489 1.00 1.21 O ATOM 110 NE2 GLN A 316 1.795 1.005 -12.083 1.00 63.03 N ATOM 0 H GLN A 316 5.548 1.537 -10.659 1.00 3.14 H new ATOM 0 HA GLN A 316 5.717 4.115 -11.635 1.00 34.31 H new ATOM 0 HB2 GLN A 316 3.220 4.013 -11.634 1.00 13.42 H new ATOM 0 HB3 GLN A 316 3.976 2.589 -12.322 1.00 13.42 H new ATOM 0 HG2 GLN A 316 3.650 1.392 -10.157 1.00 62.40 H new ATOM 0 HG3 GLN A 316 2.850 2.810 -9.508 1.00 62.40 H new ATOM 0 HE21 GLN A 316 2.704 0.763 -12.478 1.00 63.03 H new ATOM 0 HE22 GLN A 316 0.941 0.654 -12.516 1.00 63.03 H new ATOM 119 N ALA A 317 4.766 4.001 -8.492 1.00 74.44 N ATOM 120 CA ALA A 317 4.558 4.811 -7.298 1.00 62.53 C ATOM 121 C ALA A 317 5.843 5.521 -6.887 1.00 42.21 C ATOM 122 O ALA A 317 5.808 6.634 -6.364 1.00 13.42 O ATOM 123 CB ALA A 317 4.042 3.946 -6.157 1.00 45.14 C ATOM 0 H ALA A 317 4.741 2.995 -8.328 1.00 74.44 H new ATOM 0 HA ALA A 317 3.812 5.571 -7.529 1.00 62.53 H new ATOM 0 HB1 ALA A 317 3.891 4.564 -5.272 1.00 45.14 H new ATOM 0 HB2 ALA A 317 3.096 3.489 -6.446 1.00 45.14 H new ATOM 0 HB3 ALA A 317 4.769 3.165 -5.935 1.00 45.14 H new ATOM 129 N ALA A 318 6.977 4.870 -7.127 1.00 13.04 N ATOM 130 CA ALA A 318 8.273 5.441 -6.782 1.00 70.31 C ATOM 131 C ALA A 318 8.616 6.615 -7.693 1.00 75.30 C ATOM 132 O ALA A 318 9.265 7.571 -7.271 1.00 60.01 O ATOM 133 CB ALA A 318 9.356 4.375 -6.861 1.00 4.41 C ATOM 0 H ALA A 318 7.024 3.947 -7.559 1.00 13.04 H new ATOM 0 HA ALA A 318 8.218 5.813 -5.759 1.00 70.31 H new ATOM 0 HB1 ALA A 318 10.319 4.815 -6.601 1.00 4.41 H new ATOM 0 HB2 ALA A 318 9.125 3.569 -6.164 1.00 4.41 H new ATOM 0 HB3 ALA A 318 9.401 3.976 -7.875 1.00 4.41 H new ATOM 139 N ALA A 319 8.175 6.535 -8.944 1.00 61.24 N ATOM 140 CA ALA A 319 8.434 7.592 -9.914 1.00 63.53 C ATOM 141 C ALA A 319 7.384 8.693 -9.819 1.00 45.53 C ATOM 142 O ALA A 319 7.718 9.877 -9.759 1.00 70.44 O ATOM 143 CB ALA A 319 8.473 7.017 -11.323 1.00 3.22 C ATOM 0 H ALA A 319 7.637 5.749 -9.310 1.00 61.24 H new ATOM 0 HA ALA A 319 9.405 8.031 -9.686 1.00 63.53 H new ATOM 0 HB1 ALA A 319 8.667 7.817 -12.037 1.00 3.22 H new ATOM 0 HB2 ALA A 319 9.265 6.271 -11.390 1.00 3.22 H new ATOM 0 HB3 ALA A 319 7.515 6.551 -11.552 1.00 3.22 H new ATOM 149 N GLN A 320 6.116 8.297 -9.807 1.00 21.43 N ATOM 150 CA GLN A 320 5.018 9.252 -9.720 1.00 40.04 C ATOM 151 C GLN A 320 5.221 10.211 -8.552 1.00 21.43 C ATOM 152 O GLN A 320 4.805 11.367 -8.606 1.00 54.25 O ATOM 153 CB GLN A 320 3.685 8.517 -9.567 1.00 24.01 C ATOM 154 CG GLN A 320 3.414 8.039 -8.150 1.00 12.35 C ATOM 155 CD GLN A 320 2.674 9.069 -7.318 1.00 61.03 C ATOM 156 OE1 GLN A 320 3.284 9.834 -6.571 1.00 13.24 O ATOM 157 NE2 GLN A 320 1.352 9.094 -7.445 1.00 25.31 N ATOM 0 H GLN A 320 5.823 7.321 -9.856 1.00 21.43 H new ATOM 0 HA GLN A 320 5.001 9.832 -10.643 1.00 40.04 H new ATOM 0 HB2 GLN A 320 2.877 9.178 -9.879 1.00 24.01 H new ATOM 0 HB3 GLN A 320 3.673 7.659 -10.240 1.00 24.01 H new ATOM 0 HG2 GLN A 320 2.830 7.119 -8.186 1.00 12.35 H new ATOM 0 HG3 GLN A 320 4.360 7.797 -7.665 1.00 12.35 H new ATOM 0 HE21 GLN A 320 0.888 8.441 -8.076 1.00 25.31 H new ATOM 0 HE22 GLN A 320 0.801 9.766 -6.911 1.00 25.31 H new ATOM 166 N GLU A 321 5.863 9.721 -7.496 1.00 24.03 N ATOM 167 CA GLU A 321 6.120 10.535 -6.313 1.00 50.15 C ATOM 168 C GLU A 321 7.311 11.462 -6.539 1.00 50.02 C ATOM 169 O GLU A 321 7.322 12.600 -6.070 1.00 62.52 O ATOM 170 CB GLU A 321 6.378 9.642 -5.098 1.00 51.01 C ATOM 171 CG GLU A 321 6.302 10.381 -3.773 1.00 1.03 C ATOM 172 CD GLU A 321 6.229 9.442 -2.584 1.00 70.24 C ATOM 173 OE1 GLU A 321 5.105 9.165 -2.116 1.00 13.31 O ATOM 174 OE2 GLU A 321 7.295 8.984 -2.123 1.00 70.31 O ATOM 0 H GLU A 321 6.214 8.765 -7.435 1.00 24.03 H new ATOM 0 HA GLU A 321 5.237 11.145 -6.125 1.00 50.15 H new ATOM 0 HB2 GLU A 321 5.651 8.830 -5.094 1.00 51.01 H new ATOM 0 HB3 GLU A 321 7.364 9.187 -5.195 1.00 51.01 H new ATOM 0 HG2 GLU A 321 7.176 11.025 -3.670 1.00 1.03 H new ATOM 0 HG3 GLU A 321 5.426 11.030 -3.773 1.00 1.03 H new ATOM 181 N GLU A 322 8.311 10.966 -7.260 1.00 64.44 N ATOM 182 CA GLU A 322 9.508 11.749 -7.547 1.00 34.21 C ATOM 183 C GLU A 322 9.182 12.923 -8.466 1.00 20.13 C ATOM 184 O GLU A 322 9.512 14.070 -8.165 1.00 45.11 O ATOM 185 CB GLU A 322 10.580 10.866 -8.189 1.00 41.53 C ATOM 186 CG GLU A 322 11.810 11.636 -8.643 1.00 34.54 C ATOM 187 CD GLU A 322 12.590 12.223 -7.483 1.00 44.32 C ATOM 188 OE1 GLU A 322 13.743 11.794 -7.267 1.00 44.53 O ATOM 189 OE2 GLU A 322 12.049 13.111 -6.792 1.00 41.21 O ATOM 0 H GLU A 322 8.317 10.026 -7.656 1.00 64.44 H new ATOM 0 HA GLU A 322 9.889 12.143 -6.605 1.00 34.21 H new ATOM 0 HB2 GLU A 322 10.884 10.100 -7.475 1.00 41.53 H new ATOM 0 HB3 GLU A 322 10.148 10.349 -9.046 1.00 41.53 H new ATOM 0 HG2 GLU A 322 12.459 10.973 -9.214 1.00 34.54 H new ATOM 0 HG3 GLU A 322 11.505 12.439 -9.314 1.00 34.54 H new ATOM 196 N ARG A 323 8.533 12.627 -9.587 1.00 34.12 N ATOM 197 CA ARG A 323 8.164 13.657 -10.551 1.00 32.34 C ATOM 198 C ARG A 323 7.245 14.694 -9.913 1.00 13.33 C ATOM 199 O ARG A 323 7.334 15.886 -10.212 1.00 30.15 O ATOM 200 CB ARG A 323 7.476 13.027 -11.763 1.00 52.24 C ATOM 201 CG ARG A 323 6.159 12.345 -11.430 1.00 60.15 C ATOM 202 CD ARG A 323 5.702 11.434 -12.559 1.00 44.25 C ATOM 203 NE ARG A 323 4.250 11.438 -12.712 1.00 60.31 N ATOM 204 CZ ARG A 323 3.623 10.977 -13.789 1.00 21.43 C ATOM 205 NH1 ARG A 323 4.318 10.477 -14.802 1.00 11.44 N ATOM 206 NH2 ARG A 323 2.298 11.014 -13.853 1.00 63.13 N ATOM 0 H ARG A 323 8.252 11.683 -9.850 1.00 34.12 H new ATOM 0 HA ARG A 323 9.076 14.157 -10.878 1.00 32.34 H new ATOM 0 HB2 ARG A 323 7.296 13.800 -12.510 1.00 52.24 H new ATOM 0 HB3 ARG A 323 8.149 12.298 -12.214 1.00 52.24 H new ATOM 0 HG2 ARG A 323 6.270 11.764 -10.515 1.00 60.15 H new ATOM 0 HG3 ARG A 323 5.396 13.099 -11.238 1.00 60.15 H new ATOM 0 HD2 ARG A 323 6.166 11.753 -13.492 1.00 44.25 H new ATOM 0 HD3 ARG A 323 6.043 10.417 -12.365 1.00 44.25 H new ATOM 0 HE ARG A 323 3.686 11.815 -11.950 1.00 60.31 H new ATOM 0 HH11 ARG A 323 5.336 10.446 -14.756 1.00 11.44 H new ATOM 0 HH12 ARG A 323 3.834 10.124 -15.627 1.00 11.44 H new ATOM 0 HH21 ARG A 323 1.760 11.396 -13.075 1.00 63.13 H new ATOM 0 HH22 ARG A 323 1.817 10.660 -14.680 1.00 63.13 H new ATOM 220 N LEU A 324 6.362 14.234 -9.034 1.00 33.25 N ATOM 221 CA LEU A 324 5.425 15.122 -8.353 1.00 61.41 C ATOM 222 C LEU A 324 6.168 16.202 -7.574 1.00 14.24 C ATOM 223 O LEU A 324 5.785 17.372 -7.597 1.00 22.42 O ATOM 224 CB LEU A 324 4.528 14.321 -7.408 1.00 75.32 C ATOM 225 CG LEU A 324 3.052 14.233 -7.798 1.00 74.12 C ATOM 226 CD1 LEU A 324 2.891 13.487 -9.114 1.00 14.32 C ATOM 227 CD2 LEU A 324 2.249 13.555 -6.697 1.00 55.43 C ATOM 0 H LEU A 324 6.275 13.251 -8.776 1.00 33.25 H new ATOM 0 HA LEU A 324 4.806 15.606 -9.108 1.00 61.41 H new ATOM 0 HB2 LEU A 324 4.925 13.308 -7.334 1.00 75.32 H new ATOM 0 HB3 LEU A 324 4.595 14.763 -6.414 1.00 75.32 H new ATOM 0 HG LEU A 324 2.670 15.245 -7.929 1.00 74.12 H new ATOM 0 HD11 LEU A 324 1.834 13.434 -9.375 1.00 14.32 H new ATOM 0 HD12 LEU A 324 3.433 14.014 -9.899 1.00 14.32 H new ATOM 0 HD13 LEU A 324 3.290 12.478 -9.011 1.00 14.32 H new ATOM 0 HD21 LEU A 324 1.201 13.501 -6.992 1.00 55.43 H new ATOM 0 HD22 LEU A 324 2.633 12.548 -6.535 1.00 55.43 H new ATOM 0 HD23 LEU A 324 2.338 14.130 -5.775 1.00 55.43 H new ATOM 239 N ALA A 325 7.232 15.802 -6.886 1.00 1.54 N ATOM 240 CA ALA A 325 8.031 16.737 -6.103 1.00 12.23 C ATOM 241 C ALA A 325 8.491 17.915 -6.956 1.00 34.24 C ATOM 242 O ALA A 325 8.415 19.068 -6.531 1.00 20.10 O ATOM 243 CB ALA A 325 9.229 16.025 -5.493 1.00 1.34 C ATOM 0 H ALA A 325 7.561 14.837 -6.855 1.00 1.54 H new ATOM 0 HA ALA A 325 7.406 17.127 -5.300 1.00 12.23 H new ATOM 0 HB1 ALA A 325 9.817 16.735 -4.911 1.00 1.34 H new ATOM 0 HB2 ALA A 325 8.883 15.222 -4.843 1.00 1.34 H new ATOM 0 HB3 ALA A 325 9.847 15.607 -6.288 1.00 1.34 H new ATOM 249 N ASP A 326 8.967 17.617 -8.159 1.00 64.21 N ATOM 250 CA ASP A 326 9.439 18.651 -9.072 1.00 44.41 C ATOM 251 C ASP A 326 8.355 19.697 -9.316 1.00 24.30 C ATOM 252 O ASP A 326 8.634 20.895 -9.367 1.00 1.51 O ATOM 253 CB ASP A 326 9.874 18.030 -10.400 1.00 70.23 C ATOM 254 CG ASP A 326 11.017 17.048 -10.234 1.00 0.04 C ATOM 255 OD1 ASP A 326 11.378 16.384 -11.227 1.00 41.15 O ATOM 256 OD2 ASP A 326 11.550 16.943 -9.109 1.00 21.11 O ATOM 0 H ASP A 326 9.036 16.668 -8.525 1.00 64.21 H new ATOM 0 HA ASP A 326 10.296 19.143 -8.612 1.00 44.41 H new ATOM 0 HB2 ASP A 326 9.025 17.521 -10.855 1.00 70.23 H new ATOM 0 HB3 ASP A 326 10.176 18.821 -11.086 1.00 70.23 H new ATOM 261 N LEU A 327 7.119 19.235 -9.467 1.00 40.11 N ATOM 262 CA LEU A 327 5.992 20.130 -9.707 1.00 22.01 C ATOM 263 C LEU A 327 5.611 20.878 -8.434 1.00 15.23 C ATOM 264 O LEU A 327 5.462 22.100 -8.441 1.00 22.22 O ATOM 265 CB LEU A 327 4.790 19.340 -10.228 1.00 1.23 C ATOM 266 CG LEU A 327 3.837 20.100 -11.151 1.00 33.22 C ATOM 267 CD1 LEU A 327 3.214 21.280 -10.421 1.00 21.21 C ATOM 268 CD2 LEU A 327 4.566 20.568 -12.402 1.00 11.54 C ATOM 0 H LEU A 327 6.871 18.246 -9.428 1.00 40.11 H new ATOM 0 HA LEU A 327 6.292 20.860 -10.459 1.00 22.01 H new ATOM 0 HB2 LEU A 327 5.160 18.464 -10.762 1.00 1.23 H new ATOM 0 HB3 LEU A 327 4.222 18.975 -9.372 1.00 1.23 H new ATOM 0 HG LEU A 327 3.037 19.423 -11.453 1.00 33.22 H new ATOM 0 HD11 LEU A 327 2.539 21.809 -11.094 1.00 21.21 H new ATOM 0 HD12 LEU A 327 2.656 20.920 -9.557 1.00 21.21 H new ATOM 0 HD13 LEU A 327 4.000 21.958 -10.089 1.00 21.21 H new ATOM 0 HD21 LEU A 327 3.872 21.107 -13.047 1.00 11.54 H new ATOM 0 HD22 LEU A 327 5.386 21.228 -12.120 1.00 11.54 H new ATOM 0 HD23 LEU A 327 4.962 19.705 -12.936 1.00 11.54 H new ATOM 280 N ALA A 328 5.455 20.137 -7.342 1.00 21.22 N ATOM 281 CA ALA A 328 5.095 20.730 -6.060 1.00 42.41 C ATOM 282 C ALA A 328 6.061 21.848 -5.682 1.00 44.02 C ATOM 283 O ALA A 328 5.658 22.866 -5.120 1.00 43.44 O ATOM 284 CB ALA A 328 5.067 19.665 -4.974 1.00 71.14 C ATOM 0 H ALA A 328 5.572 19.124 -7.320 1.00 21.22 H new ATOM 0 HA ALA A 328 4.099 21.162 -6.155 1.00 42.41 H new ATOM 0 HB1 ALA A 328 4.797 20.123 -4.022 1.00 71.14 H new ATOM 0 HB2 ALA A 328 4.332 18.902 -5.231 1.00 71.14 H new ATOM 0 HB3 ALA A 328 6.052 19.206 -4.889 1.00 71.14 H new ATOM 290 N SER A 329 7.338 21.650 -5.993 1.00 45.44 N ATOM 291 CA SER A 329 8.363 22.640 -5.682 1.00 41.20 C ATOM 292 C SER A 329 8.234 23.860 -6.589 1.00 54.01 C ATOM 293 O SER A 329 8.462 24.992 -6.162 1.00 73.11 O ATOM 294 CB SER A 329 9.757 22.026 -5.830 1.00 13.43 C ATOM 295 OG SER A 329 10.152 21.367 -4.639 1.00 61.45 O ATOM 0 H SER A 329 7.688 20.813 -6.460 1.00 45.44 H new ATOM 0 HA SER A 329 8.222 22.960 -4.650 1.00 41.20 H new ATOM 0 HB2 SER A 329 9.760 21.319 -6.659 1.00 13.43 H new ATOM 0 HB3 SER A 329 10.478 22.806 -6.074 1.00 13.43 H new ATOM 0 HG SER A 329 11.045 20.982 -4.759 1.00 61.45 H new ATOM 301 N ASP A 330 7.866 23.620 -7.843 1.00 0.40 N ATOM 302 CA ASP A 330 7.705 24.698 -8.812 1.00 14.43 C ATOM 303 C ASP A 330 6.789 25.789 -8.264 1.00 20.31 C ATOM 304 O ASP A 330 7.193 26.945 -8.132 1.00 32.14 O ATOM 305 CB ASP A 330 7.140 24.153 -10.124 1.00 61.04 C ATOM 306 CG ASP A 330 7.036 25.219 -11.197 1.00 41.13 C ATOM 307 OD1 ASP A 330 6.108 26.052 -11.119 1.00 25.22 O ATOM 308 OD2 ASP A 330 7.883 25.221 -12.115 1.00 12.21 O ATOM 0 H ASP A 330 7.674 22.689 -8.212 1.00 0.40 H new ATOM 0 HA ASP A 330 8.686 25.133 -9.001 1.00 14.43 H new ATOM 0 HB2 ASP A 330 7.776 23.343 -10.481 1.00 61.04 H new ATOM 0 HB3 ASP A 330 6.153 23.727 -9.942 1.00 61.04 H new ATOM 313 N LEU A 331 5.554 25.414 -7.948 1.00 25.41 N ATOM 314 CA LEU A 331 4.580 26.360 -7.415 1.00 62.31 C ATOM 315 C LEU A 331 5.019 26.883 -6.051 1.00 40.33 C ATOM 316 O LEU A 331 4.806 28.052 -5.725 1.00 35.32 O ATOM 317 CB LEU A 331 3.206 25.697 -7.302 1.00 0.33 C ATOM 318 CG LEU A 331 3.045 24.674 -6.177 1.00 12.44 C ATOM 319 CD1 LEU A 331 2.569 25.353 -4.902 1.00 1.52 C ATOM 320 CD2 LEU A 331 2.078 23.575 -6.590 1.00 74.32 C ATOM 0 H LEU A 331 5.204 24.462 -8.052 1.00 25.41 H new ATOM 0 HA LEU A 331 4.515 27.203 -8.103 1.00 62.31 H new ATOM 0 HB2 LEU A 331 2.458 26.478 -7.166 1.00 0.33 H new ATOM 0 HB3 LEU A 331 2.983 25.204 -8.249 1.00 0.33 H new ATOM 0 HG LEU A 331 4.017 24.221 -5.982 1.00 12.44 H new ATOM 0 HD11 LEU A 331 2.460 24.609 -4.113 1.00 1.52 H new ATOM 0 HD12 LEU A 331 3.298 26.103 -4.596 1.00 1.52 H new ATOM 0 HD13 LEU A 331 1.608 25.834 -5.083 1.00 1.52 H new ATOM 0 HD21 LEU A 331 1.976 22.856 -5.777 1.00 74.32 H new ATOM 0 HD22 LEU A 331 1.104 24.012 -6.813 1.00 74.32 H new ATOM 0 HD23 LEU A 331 2.460 23.069 -7.476 1.00 74.32 H new ATOM 332 N LEU A 332 5.635 26.013 -5.260 1.00 21.45 N ATOM 333 CA LEU A 332 6.107 26.387 -3.931 1.00 10.40 C ATOM 334 C LEU A 332 7.076 27.563 -4.009 1.00 31.22 C ATOM 335 O LEU A 332 6.792 28.650 -3.504 1.00 21.12 O ATOM 336 CB LEU A 332 6.786 25.195 -3.254 1.00 44.55 C ATOM 337 CG LEU A 332 7.086 25.351 -1.763 1.00 43.42 C ATOM 338 CD1 LEU A 332 7.073 23.997 -1.072 1.00 15.14 C ATOM 339 CD2 LEU A 332 8.426 26.044 -1.558 1.00 71.51 C ATOM 0 H LEU A 332 5.820 25.043 -5.515 1.00 21.45 H new ATOM 0 HA LEU A 332 5.244 26.689 -3.338 1.00 10.40 H new ATOM 0 HB2 LEU A 332 6.152 24.318 -3.387 1.00 44.55 H new ATOM 0 HB3 LEU A 332 7.723 24.993 -3.773 1.00 44.55 H new ATOM 0 HG LEU A 332 6.307 25.971 -1.318 1.00 43.42 H new ATOM 0 HD11 LEU A 332 7.288 24.128 -0.012 1.00 15.14 H new ATOM 0 HD12 LEU A 332 6.091 23.538 -1.189 1.00 15.14 H new ATOM 0 HD13 LEU A 332 7.830 23.353 -1.519 1.00 15.14 H new ATOM 0 HD21 LEU A 332 8.623 26.147 -0.491 1.00 71.51 H new ATOM 0 HD22 LEU A 332 9.217 25.451 -2.018 1.00 71.51 H new ATOM 0 HD23 LEU A 332 8.399 27.032 -2.019 1.00 71.51 H new ATOM 351 N LEU A 333 8.220 27.339 -4.646 1.00 73.40 N ATOM 352 CA LEU A 333 9.231 28.380 -4.793 1.00 32.13 C ATOM 353 C LEU A 333 8.629 29.641 -5.405 1.00 61.31 C ATOM 354 O LEU A 333 9.005 30.756 -5.046 1.00 42.12 O ATOM 355 CB LEU A 333 10.386 27.878 -5.661 1.00 53.33 C ATOM 356 CG LEU A 333 11.514 27.155 -4.925 1.00 41.14 C ATOM 357 CD1 LEU A 333 12.374 26.371 -5.905 1.00 35.12 C ATOM 358 CD2 LEU A 333 12.363 28.147 -4.144 1.00 0.30 C ATOM 0 H LEU A 333 8.471 26.445 -5.069 1.00 73.40 H new ATOM 0 HA LEU A 333 9.611 28.626 -3.801 1.00 32.13 H new ATOM 0 HB2 LEU A 333 9.981 27.204 -6.415 1.00 53.33 H new ATOM 0 HB3 LEU A 333 10.812 28.730 -6.191 1.00 53.33 H new ATOM 0 HG LEU A 333 11.070 26.453 -4.220 1.00 41.14 H new ATOM 0 HD11 LEU A 333 13.172 25.863 -5.363 1.00 35.12 H new ATOM 0 HD12 LEU A 333 11.758 25.634 -6.420 1.00 35.12 H new ATOM 0 HD13 LEU A 333 12.809 27.054 -6.635 1.00 35.12 H new ATOM 0 HD21 LEU A 333 13.161 27.615 -3.626 1.00 0.30 H new ATOM 0 HD22 LEU A 333 12.797 28.874 -4.830 1.00 0.30 H new ATOM 0 HD23 LEU A 333 11.740 28.664 -3.415 1.00 0.30 H new ATOM 370 N GLN A 334 7.692 29.454 -6.329 1.00 41.40 N ATOM 371 CA GLN A 334 7.037 30.577 -6.990 1.00 5.43 C ATOM 372 C GLN A 334 6.275 31.432 -5.983 1.00 33.12 C ATOM 373 O GLN A 334 6.221 32.656 -6.107 1.00 22.22 O ATOM 374 CB GLN A 334 6.084 30.073 -8.074 1.00 70.03 C ATOM 375 CG GLN A 334 5.215 31.165 -8.676 1.00 50.34 C ATOM 376 CD GLN A 334 4.843 30.886 -10.119 1.00 42.44 C ATOM 377 OE1 GLN A 334 3.664 30.793 -10.462 1.00 22.42 O ATOM 378 NE2 GLN A 334 5.850 30.752 -10.975 1.00 52.20 N ATOM 0 H GLN A 334 7.370 28.537 -6.637 1.00 41.40 H new ATOM 0 HA GLN A 334 7.808 31.193 -7.453 1.00 5.43 H new ATOM 0 HB2 GLN A 334 6.665 29.604 -8.868 1.00 70.03 H new ATOM 0 HB3 GLN A 334 5.441 29.301 -7.651 1.00 70.03 H new ATOM 0 HG2 GLN A 334 4.306 31.268 -8.084 1.00 50.34 H new ATOM 0 HG3 GLN A 334 5.743 32.117 -8.618 1.00 50.34 H new ATOM 0 HE21 GLN A 334 6.812 30.837 -10.648 1.00 52.20 H new ATOM 0 HE22 GLN A 334 5.661 30.564 -11.960 1.00 52.20 H new ATOM 387 N TYR A 335 5.686 30.780 -4.987 1.00 32.51 N ATOM 388 CA TYR A 335 4.923 31.479 -3.960 1.00 3.41 C ATOM 389 C TYR A 335 5.789 32.517 -3.251 1.00 55.23 C ATOM 390 O TYR A 335 5.314 33.594 -2.887 1.00 3.03 O ATOM 391 CB TYR A 335 4.365 30.484 -2.942 1.00 21.41 C ATOM 392 CG TYR A 335 3.367 31.093 -1.983 1.00 62.12 C ATOM 393 CD1 TYR A 335 3.647 31.189 -0.626 1.00 5.41 C ATOM 394 CD2 TYR A 335 2.144 31.573 -2.435 1.00 61.03 C ATOM 395 CE1 TYR A 335 2.738 31.745 0.254 1.00 63.45 C ATOM 396 CE2 TYR A 335 1.229 32.131 -1.563 1.00 44.23 C ATOM 397 CZ TYR A 335 1.531 32.214 -0.220 1.00 11.21 C ATOM 398 OH TYR A 335 0.623 32.769 0.653 1.00 41.33 O ATOM 0 H TYR A 335 5.722 29.768 -4.869 1.00 32.51 H new ATOM 0 HA TYR A 335 4.094 31.993 -4.446 1.00 3.41 H new ATOM 0 HB2 TYR A 335 3.888 29.661 -3.475 1.00 21.41 H new ATOM 0 HB3 TYR A 335 5.191 30.059 -2.372 1.00 21.41 H new ATOM 0 HD1 TYR A 335 4.592 30.823 -0.252 1.00 5.41 H new ATOM 0 HD2 TYR A 335 1.904 31.509 -3.486 1.00 61.03 H new ATOM 0 HE1 TYR A 335 2.971 31.812 1.306 1.00 63.45 H new ATOM 0 HE2 TYR A 335 0.283 32.500 -1.931 1.00 44.23 H new ATOM 0 HH TYR A 335 -0.175 33.051 0.159 1.00 41.33 H new ATOM 408 N LEU A 336 7.061 32.186 -3.060 1.00 34.21 N ATOM 409 CA LEU A 336 7.995 33.088 -2.396 1.00 13.14 C ATOM 410 C LEU A 336 8.379 34.246 -3.312 1.00 33.50 C ATOM 411 O LEU A 336 8.138 35.411 -2.993 1.00 32.44 O ATOM 412 CB LEU A 336 9.249 32.327 -1.963 1.00 43.32 C ATOM 413 CG LEU A 336 9.145 31.553 -0.649 1.00 1.24 C ATOM 414 CD1 LEU A 336 8.824 32.495 0.501 1.00 10.14 C ATOM 415 CD2 LEU A 336 8.092 30.460 -0.755 1.00 54.33 C ATOM 0 H LEU A 336 7.469 31.299 -3.356 1.00 34.21 H new ATOM 0 HA LEU A 336 7.502 33.496 -1.513 1.00 13.14 H new ATOM 0 HB2 LEU A 336 9.515 31.626 -2.754 1.00 43.32 H new ATOM 0 HB3 LEU A 336 10.070 33.039 -1.878 1.00 43.32 H new ATOM 0 HG LEU A 336 10.108 31.083 -0.449 1.00 1.24 H new ATOM 0 HD11 LEU A 336 8.754 31.926 1.428 1.00 10.14 H new ATOM 0 HD12 LEU A 336 9.614 33.241 0.592 1.00 10.14 H new ATOM 0 HD13 LEU A 336 7.874 32.994 0.308 1.00 10.14 H new ATOM 0 HD21 LEU A 336 8.032 29.920 0.190 1.00 54.33 H new ATOM 0 HD22 LEU A 336 7.124 30.908 -0.979 1.00 54.33 H new ATOM 0 HD23 LEU A 336 8.365 29.768 -1.552 1.00 54.33 H new ATOM 427 N LEU A 337 8.975 33.917 -4.453 1.00 0.33 N ATOM 428 CA LEU A 337 9.391 34.929 -5.418 1.00 15.43 C ATOM 429 C LEU A 337 8.229 35.851 -5.775 1.00 34.13 C ATOM 430 O LEU A 337 8.341 37.072 -5.676 1.00 14.43 O ATOM 431 CB LEU A 337 9.935 34.263 -6.682 1.00 43.34 C ATOM 432 CG LEU A 337 10.411 35.208 -7.787 1.00 20.23 C ATOM 433 CD1 LEU A 337 11.527 34.564 -8.596 1.00 14.34 C ATOM 434 CD2 LEU A 337 9.251 35.598 -8.691 1.00 0.30 C ATOM 0 H LEU A 337 9.181 32.958 -4.732 1.00 0.33 H new ATOM 0 HA LEU A 337 10.179 35.528 -4.962 1.00 15.43 H new ATOM 0 HB2 LEU A 337 10.767 33.618 -6.399 1.00 43.34 H new ATOM 0 HB3 LEU A 337 9.158 33.619 -7.092 1.00 43.34 H new ATOM 0 HG LEU A 337 10.803 36.112 -7.322 1.00 20.23 H new ATOM 0 HD11 LEU A 337 11.853 35.251 -9.377 1.00 14.34 H new ATOM 0 HD12 LEU A 337 12.367 34.336 -7.940 1.00 14.34 H new ATOM 0 HD13 LEU A 337 11.162 33.643 -9.051 1.00 14.34 H new ATOM 0 HD21 LEU A 337 9.608 36.270 -9.471 1.00 0.30 H new ATOM 0 HD22 LEU A 337 8.829 34.703 -9.148 1.00 0.30 H new ATOM 0 HD23 LEU A 337 8.484 36.100 -8.102 1.00 0.30 H new ATOM 446 N GLN A 338 7.114 35.256 -6.188 1.00 0.42 N ATOM 447 CA GLN A 338 5.931 36.025 -6.558 1.00 22.43 C ATOM 448 C GLN A 338 5.546 36.998 -5.449 1.00 15.12 C ATOM 449 O GLN A 338 5.107 38.116 -5.715 1.00 53.14 O ATOM 450 CB GLN A 338 4.761 35.086 -6.858 1.00 42.25 C ATOM 451 CG GLN A 338 3.469 35.813 -7.194 1.00 11.23 C ATOM 452 CD GLN A 338 2.687 35.133 -8.300 1.00 41.44 C ATOM 453 OE1 GLN A 338 2.269 35.774 -9.265 1.00 44.43 O ATOM 454 NE2 GLN A 338 2.485 33.828 -8.167 1.00 32.21 N ATOM 0 H GLN A 338 7.005 34.246 -6.275 1.00 0.42 H new ATOM 0 HA GLN A 338 6.166 36.599 -7.454 1.00 22.43 H new ATOM 0 HB2 GLN A 338 5.031 34.438 -7.692 1.00 42.25 H new ATOM 0 HB3 GLN A 338 4.592 34.442 -5.995 1.00 42.25 H new ATOM 0 HG2 GLN A 338 2.848 35.874 -6.300 1.00 11.23 H new ATOM 0 HG3 GLN A 338 3.699 36.836 -7.493 1.00 11.23 H new ATOM 0 HE21 GLN A 338 2.849 33.336 -7.351 1.00 32.21 H new ATOM 0 HE22 GLN A 338 1.966 33.317 -8.881 1.00 32.21 H new ATOM 463 N GLY A 339 5.712 36.565 -4.203 1.00 22.41 N ATOM 464 CA GLY A 339 5.376 37.410 -3.072 1.00 42.02 C ATOM 465 C GLY A 339 6.117 38.732 -3.097 1.00 11.35 C ATOM 466 O GLY A 339 5.502 39.797 -3.066 1.00 54.25 O ATOM 0 H GLY A 339 6.073 35.644 -3.957 1.00 22.41 H new ATOM 0 HA2 GLY A 339 4.302 37.599 -3.069 1.00 42.02 H new ATOM 0 HA3 GLY A 339 5.609 36.883 -2.147 1.00 42.02 H new ATOM 470 N GLY A 340 7.444 38.665 -3.150 1.00 31.24 N ATOM 471 CA GLY A 340 8.248 39.873 -3.175 1.00 74.10 C ATOM 472 C GLY A 340 8.179 40.587 -4.510 1.00 54.22 C ATOM 473 O GLY A 340 8.216 41.816 -4.567 1.00 32.10 O ATOM 0 H GLY A 340 7.977 37.795 -3.176 1.00 31.24 H new ATOM 0 HA2 GLY A 340 7.910 40.547 -2.388 1.00 74.10 H new ATOM 0 HA3 GLY A 340 9.285 39.620 -2.955 1.00 74.10 H new ATOM 477 N ALA A 341 8.080 39.816 -5.588 1.00 35.32 N ATOM 478 CA ALA A 341 8.005 40.382 -6.929 1.00 1.33 C ATOM 479 C ALA A 341 6.793 41.296 -7.072 1.00 75.22 C ATOM 480 O ALA A 341 6.858 42.330 -7.737 1.00 73.32 O ATOM 481 CB ALA A 341 7.958 39.273 -7.969 1.00 24.43 C ATOM 0 H ALA A 341 8.050 38.797 -5.558 1.00 35.32 H new ATOM 0 HA ALA A 341 8.901 40.981 -7.094 1.00 1.33 H new ATOM 0 HB1 ALA A 341 7.902 39.711 -8.966 1.00 24.43 H new ATOM 0 HB2 ALA A 341 8.858 38.663 -7.891 1.00 24.43 H new ATOM 0 HB3 ALA A 341 7.081 38.650 -7.797 1.00 24.43 H new ATOM 487 N ARG A 342 5.687 40.907 -6.445 1.00 61.01 N ATOM 488 CA ARG A 342 4.459 41.690 -6.505 1.00 1.50 C ATOM 489 C ARG A 342 4.557 42.924 -5.612 1.00 31.32 C ATOM 490 O ARG A 342 4.125 44.012 -5.991 1.00 62.24 O ATOM 491 CB ARG A 342 3.263 40.836 -6.083 1.00 75.31 C ATOM 492 CG ARG A 342 2.864 39.794 -7.116 1.00 12.22 C ATOM 493 CD ARG A 342 1.945 38.740 -6.518 1.00 51.30 C ATOM 494 NE ARG A 342 0.765 39.333 -5.893 1.00 44.23 N ATOM 495 CZ ARG A 342 -0.268 39.809 -6.579 1.00 34.14 C ATOM 496 NH1 ARG A 342 -0.268 39.761 -7.904 1.00 32.04 N ATOM 497 NH2 ARG A 342 -1.305 40.333 -5.938 1.00 55.43 N ATOM 0 H ARG A 342 5.617 40.054 -5.890 1.00 61.01 H new ATOM 0 HA ARG A 342 4.317 42.018 -7.535 1.00 1.50 H new ATOM 0 HB2 ARG A 342 3.499 40.334 -5.145 1.00 75.31 H new ATOM 0 HB3 ARG A 342 2.412 41.488 -5.890 1.00 75.31 H new ATOM 0 HG2 ARG A 342 2.364 40.282 -7.952 1.00 12.22 H new ATOM 0 HG3 ARG A 342 3.758 39.315 -7.515 1.00 12.22 H new ATOM 0 HD2 ARG A 342 1.632 38.047 -7.299 1.00 51.30 H new ATOM 0 HD3 ARG A 342 2.494 38.159 -5.777 1.00 51.30 H new ATOM 0 HE ARG A 342 0.733 39.384 -4.875 1.00 44.23 H new ATOM 0 HH11 ARG A 342 0.527 39.358 -8.400 1.00 32.04 H new ATOM 0 HH12 ARG A 342 -1.063 40.127 -8.428 1.00 32.04 H new ATOM 0 HH21 ARG A 342 -1.309 40.370 -4.919 1.00 55.43 H new ATOM 0 HH22 ARG A 342 -2.098 40.699 -6.465 1.00 55.43 H new ATOM 511 N GLN A 343 5.127 42.744 -4.424 1.00 55.44 N ATOM 512 CA GLN A 343 5.279 43.843 -3.477 1.00 65.54 C ATOM 513 C GLN A 343 6.195 44.924 -4.041 1.00 53.24 C ATOM 514 O GLN A 343 5.777 46.067 -4.232 1.00 63.44 O ATOM 515 CB GLN A 343 5.838 43.326 -2.151 1.00 24.44 C ATOM 516 CG GLN A 343 4.765 42.880 -1.171 1.00 1.24 C ATOM 517 CD GLN A 343 4.119 44.043 -0.444 1.00 52.54 C ATOM 518 OE1 GLN A 343 4.589 45.179 -0.524 1.00 64.41 O ATOM 519 NE2 GLN A 343 3.034 43.767 0.269 1.00 32.14 N ATOM 0 H GLN A 343 5.490 41.849 -4.095 1.00 55.44 H new ATOM 0 HA GLN A 343 4.295 44.280 -3.304 1.00 65.54 H new ATOM 0 HB2 GLN A 343 6.507 42.489 -2.350 1.00 24.44 H new ATOM 0 HB3 GLN A 343 6.437 44.110 -1.689 1.00 24.44 H new ATOM 0 HG2 GLN A 343 3.998 42.321 -1.707 1.00 1.24 H new ATOM 0 HG3 GLN A 343 5.205 42.200 -0.442 1.00 1.24 H new ATOM 0 HE21 GLN A 343 2.679 42.812 0.308 1.00 32.14 H new ATOM 0 HE22 GLN A 343 2.556 44.510 0.778 1.00 32.14 H new ATOM 528 N ARG A 344 7.444 44.557 -4.305 1.00 63.44 N ATOM 529 CA ARG A 344 8.419 45.496 -4.846 1.00 41.30 C ATOM 530 C ARG A 344 7.923 46.100 -6.157 1.00 2.23 C ATOM 531 O ARG A 344 8.158 47.274 -6.439 1.00 13.40 O ATOM 532 CB ARG A 344 9.762 44.799 -5.069 1.00 61.34 C ATOM 533 CG ARG A 344 10.920 45.760 -5.283 1.00 53.23 C ATOM 534 CD ARG A 344 11.094 46.104 -6.754 1.00 54.33 C ATOM 535 NE ARG A 344 12.440 46.587 -7.048 1.00 3.11 N ATOM 536 CZ ARG A 344 12.757 47.256 -8.151 1.00 12.31 C ATOM 537 NH1 ARG A 344 11.828 47.521 -9.059 1.00 40.02 N ATOM 538 NH2 ARG A 344 14.005 47.663 -8.347 1.00 33.33 N ATOM 0 H ARG A 344 7.805 43.615 -4.153 1.00 63.44 H new ATOM 0 HA ARG A 344 8.551 46.300 -4.122 1.00 41.30 H new ATOM 0 HB2 ARG A 344 9.980 44.166 -4.209 1.00 61.34 H new ATOM 0 HB3 ARG A 344 9.681 44.142 -5.935 1.00 61.34 H new ATOM 0 HG2 ARG A 344 10.747 46.673 -4.713 1.00 53.23 H new ATOM 0 HG3 ARG A 344 11.839 45.315 -4.901 1.00 53.23 H new ATOM 0 HD2 ARG A 344 10.885 45.222 -7.360 1.00 54.33 H new ATOM 0 HD3 ARG A 344 10.366 46.865 -7.037 1.00 54.33 H new ATOM 0 HE ARG A 344 13.178 46.400 -6.369 1.00 3.11 H new ATOM 0 HH11 ARG A 344 10.868 47.211 -8.911 1.00 40.02 H new ATOM 0 HH12 ARG A 344 12.074 48.035 -9.905 1.00 40.02 H new ATOM 0 HH21 ARG A 344 14.722 47.462 -7.650 1.00 33.33 H new ATOM 0 HH22 ARG A 344 14.247 48.177 -9.194 1.00 33.33 H new ATOM 552 N GLY A 345 7.236 45.288 -6.954 1.00 63.24 N ATOM 553 CA GLY A 345 6.719 45.759 -8.226 1.00 10.34 C ATOM 554 C GLY A 345 5.901 47.028 -8.084 1.00 71.52 C ATOM 555 O GLY A 345 6.014 47.942 -8.901 1.00 54.42 O ATOM 0 H GLY A 345 7.028 44.312 -6.742 1.00 63.24 H new ATOM 0 HA2 GLY A 345 7.550 45.940 -8.908 1.00 10.34 H new ATOM 0 HA3 GLY A 345 6.102 44.981 -8.675 1.00 10.34 H new ATOM 559 N LEU A 346 5.074 47.083 -7.046 1.00 52.32 N ATOM 560 CA LEU A 346 4.231 48.249 -6.801 1.00 24.21 C ATOM 561 C LEU A 346 4.997 49.323 -6.035 1.00 23.31 C ATOM 562 O LEU A 346 5.148 49.242 -4.817 1.00 4.23 O ATOM 563 CB LEU A 346 2.980 47.843 -6.020 1.00 5.15 C ATOM 564 CG LEU A 346 1.755 48.739 -6.203 1.00 32.32 C ATOM 565 CD1 LEU A 346 0.476 47.935 -6.029 1.00 75.11 C ATOM 566 CD2 LEU A 346 1.793 49.902 -5.223 1.00 0.22 C ATOM 0 H LEU A 346 4.969 46.335 -6.361 1.00 52.32 H new ATOM 0 HA LEU A 346 3.932 48.660 -7.765 1.00 24.21 H new ATOM 0 HB2 LEU A 346 2.709 46.828 -6.309 1.00 5.15 H new ATOM 0 HB3 LEU A 346 3.231 47.816 -4.960 1.00 5.15 H new ATOM 0 HG LEU A 346 1.772 49.143 -7.215 1.00 32.32 H new ATOM 0 HD11 LEU A 346 -0.386 48.589 -6.163 1.00 75.11 H new ATOM 0 HD12 LEU A 346 0.444 47.137 -6.771 1.00 75.11 H new ATOM 0 HD13 LEU A 346 0.451 47.502 -5.029 1.00 75.11 H new ATOM 0 HD21 LEU A 346 0.913 50.529 -5.368 1.00 0.22 H new ATOM 0 HD22 LEU A 346 1.801 49.518 -4.203 1.00 0.22 H new ATOM 0 HD23 LEU A 346 2.692 50.493 -5.395 1.00 0.22 H new