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= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 320 GLN : amide:sc= -2.32 K(o=-2.3,f=-9.8!) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.321 X(o=-0.32,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= -0.0606 X(o=-0.061,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 312 6.382 -3.694 -7.578 1.00 23.13 N ATOM 40 CA GLU A 312 5.822 -3.128 -8.799 1.00 45.23 C ATOM 41 C GLU A 312 5.153 -1.785 -8.520 1.00 21.33 C ATOM 42 O GLU A 312 5.554 -0.755 -9.061 1.00 73.41 O ATOM 43 CB GLU A 312 4.812 -4.095 -9.419 1.00 53.34 C ATOM 44 CG GLU A 312 5.356 -5.499 -9.619 1.00 21.34 C ATOM 45 CD GLU A 312 4.508 -6.325 -10.566 1.00 54.12 C ATOM 46 OE1 GLU A 312 4.877 -6.432 -11.754 1.00 53.52 O ATOM 47 OE2 GLU A 312 3.474 -6.865 -10.119 1.00 0.33 O ATOM 0 HA GLU A 312 6.639 -2.967 -9.502 1.00 45.23 H new ATOM 0 HB2 GLU A 312 3.930 -4.144 -8.781 1.00 53.34 H new ATOM 0 HB3 GLU A 312 4.487 -3.700 -10.382 1.00 53.34 H new ATOM 0 HG2 GLU A 312 6.373 -5.439 -10.007 1.00 21.34 H new ATOM 0 HG3 GLU A 312 5.412 -6.003 -8.654 1.00 21.34 H new ATOM 54 N ALA A 313 4.131 -1.806 -7.671 1.00 12.13 N ATOM 55 CA ALA A 313 3.406 -0.591 -7.318 1.00 24.44 C ATOM 56 C ALA A 313 4.345 0.455 -6.727 1.00 51.51 C ATOM 57 O ALA A 313 4.177 1.654 -6.954 1.00 41.21 O ATOM 58 CB ALA A 313 2.286 -0.911 -6.339 1.00 1.31 C ATOM 0 H ALA A 313 3.786 -2.651 -7.215 1.00 12.13 H new ATOM 0 HA ALA A 313 2.971 -0.178 -8.228 1.00 24.44 H new ATOM 0 HB1 ALA A 313 1.753 0.005 -6.084 1.00 1.31 H new ATOM 0 HB2 ALA A 313 1.594 -1.618 -6.796 1.00 1.31 H new ATOM 0 HB3 ALA A 313 2.708 -1.349 -5.434 1.00 1.31 H new ATOM 64 N THR A 314 5.334 -0.004 -5.967 1.00 32.42 N ATOM 65 CA THR A 314 6.298 0.892 -5.342 1.00 11.30 C ATOM 66 C THR A 314 7.118 1.634 -6.391 1.00 5.44 C ATOM 67 O THR A 314 7.468 2.800 -6.208 1.00 4.55 O ATOM 68 CB THR A 314 7.253 0.127 -4.407 1.00 31.14 C ATOM 69 OG1 THR A 314 6.508 -0.517 -3.367 1.00 4.14 O ATOM 70 CG2 THR A 314 8.280 1.067 -3.794 1.00 51.44 C ATOM 0 H THR A 314 5.488 -0.993 -5.769 1.00 32.42 H new ATOM 0 HA THR A 314 5.727 1.611 -4.755 1.00 11.30 H new ATOM 0 HB THR A 314 7.778 -0.624 -4.997 1.00 31.14 H new ATOM 0 HG1 THR A 314 7.122 -1.003 -2.778 1.00 4.14 H new ATOM 0 HG21 THR A 314 8.943 0.503 -3.138 1.00 51.44 H new ATOM 0 HG22 THR A 314 8.865 1.534 -4.587 1.00 51.44 H new ATOM 0 HG23 THR A 314 7.769 1.838 -3.218 1.00 51.44 H new ATOM 78 N ARG A 315 7.422 0.952 -7.490 1.00 32.22 N ATOM 79 CA ARG A 315 8.202 1.547 -8.568 1.00 1.11 C ATOM 80 C ARG A 315 7.456 2.722 -9.194 1.00 62.45 C ATOM 81 O ARG A 315 7.934 3.855 -9.171 1.00 41.43 O ATOM 82 CB ARG A 315 8.516 0.499 -9.638 1.00 0.54 C ATOM 83 CG ARG A 315 9.677 -0.412 -9.275 1.00 41.02 C ATOM 84 CD ARG A 315 11.014 0.287 -9.465 1.00 22.10 C ATOM 85 NE ARG A 315 11.249 0.650 -10.860 1.00 31.10 N ATOM 86 CZ ARG A 315 11.520 -0.234 -11.814 1.00 25.03 C ATOM 87 NH1 ARG A 315 11.591 -1.526 -11.524 1.00 53.02 N ATOM 88 NH2 ARG A 315 11.722 0.174 -13.060 1.00 71.12 N ATOM 0 H ARG A 315 7.140 -0.014 -7.657 1.00 32.22 H new ATOM 0 HA ARG A 315 9.137 1.916 -8.146 1.00 1.11 H new ATOM 0 HB2 ARG A 315 7.628 -0.109 -9.811 1.00 0.54 H new ATOM 0 HB3 ARG A 315 8.742 1.006 -10.576 1.00 0.54 H new ATOM 0 HG2 ARG A 315 9.578 -0.734 -8.238 1.00 41.02 H new ATOM 0 HG3 ARG A 315 9.643 -1.310 -9.892 1.00 41.02 H new ATOM 0 HD2 ARG A 315 11.045 1.184 -8.847 1.00 22.10 H new ATOM 0 HD3 ARG A 315 11.816 -0.365 -9.120 1.00 22.10 H new ATOM 0 HE ARG A 315 11.203 1.636 -11.116 1.00 31.10 H new ATOM 0 HH11 ARG A 315 11.437 -1.843 -10.567 1.00 53.02 H new ATOM 0 HH12 ARG A 315 11.799 -2.203 -12.258 1.00 53.02 H new ATOM 0 HH21 ARG A 315 11.669 1.167 -13.286 1.00 71.12 H new ATOM 0 HH22 ARG A 315 11.930 -0.505 -13.792 1.00 71.12 H new ATOM 102 N GLN A 316 6.283 2.441 -9.753 1.00 65.35 N ATOM 103 CA GLN A 316 5.473 3.474 -10.387 1.00 71.11 C ATOM 104 C GLN A 316 5.263 4.655 -9.445 1.00 42.25 C ATOM 105 O GLN A 316 5.244 5.808 -9.875 1.00 42.22 O ATOM 106 CB GLN A 316 4.121 2.901 -10.814 1.00 74.51 C ATOM 107 CG GLN A 316 3.392 2.165 -9.700 1.00 45.34 C ATOM 108 CD GLN A 316 2.101 1.525 -10.171 1.00 3.15 C ATOM 109 OE1 GLN A 316 2.115 0.573 -10.952 1.00 3.33 O ATOM 110 NE2 GLN A 316 0.975 2.045 -9.696 1.00 3.00 N ATOM 0 H GLN A 316 5.873 1.507 -9.780 1.00 65.35 H new ATOM 0 HA GLN A 316 6.005 3.827 -11.270 1.00 71.11 H new ATOM 0 HB2 GLN A 316 3.490 3.713 -11.176 1.00 74.51 H new ATOM 0 HB3 GLN A 316 4.273 2.219 -11.650 1.00 74.51 H new ATOM 0 HG2 GLN A 316 4.046 1.396 -9.289 1.00 45.34 H new ATOM 0 HG3 GLN A 316 3.173 2.862 -8.891 1.00 45.34 H new ATOM 0 HE21 GLN A 316 1.010 2.834 -9.051 1.00 3.00 H new ATOM 0 HE22 GLN A 316 0.075 1.655 -9.977 1.00 3.00 H new ATOM 119 N ALA A 317 5.106 4.360 -8.159 1.00 73.44 N ATOM 120 CA ALA A 317 4.899 5.397 -7.157 1.00 0.31 C ATOM 121 C ALA A 317 6.169 6.213 -6.941 1.00 41.45 C ATOM 122 O ALA A 317 6.109 7.410 -6.662 1.00 41.44 O ATOM 123 CB ALA A 317 4.437 4.780 -5.845 1.00 65.52 C ATOM 0 H ALA A 317 5.118 3.410 -7.787 1.00 73.44 H new ATOM 0 HA ALA A 317 4.123 6.070 -7.522 1.00 0.31 H new ATOM 0 HB1 ALA A 317 4.286 5.567 -5.106 1.00 65.52 H new ATOM 0 HB2 ALA A 317 3.499 4.247 -6.004 1.00 65.52 H new ATOM 0 HB3 ALA A 317 5.194 4.083 -5.484 1.00 65.52 H new ATOM 129 N ALA A 318 7.318 5.558 -7.072 1.00 74.53 N ATOM 130 CA ALA A 318 8.602 6.223 -6.893 1.00 70.01 C ATOM 131 C ALA A 318 8.885 7.188 -8.040 1.00 20.33 C ATOM 132 O ALA A 318 9.512 8.229 -7.847 1.00 14.13 O ATOM 133 CB ALA A 318 9.718 5.195 -6.778 1.00 74.23 C ATOM 0 H ALA A 318 7.385 4.566 -7.302 1.00 74.53 H new ATOM 0 HA ALA A 318 8.558 6.800 -5.969 1.00 70.01 H new ATOM 0 HB1 ALA A 318 10.671 5.706 -6.645 1.00 74.23 H new ATOM 0 HB2 ALA A 318 9.530 4.548 -5.921 1.00 74.23 H new ATOM 0 HB3 ALA A 318 9.753 4.593 -7.686 1.00 74.23 H new ATOM 139 N ALA A 319 8.420 6.834 -9.233 1.00 72.32 N ATOM 140 CA ALA A 319 8.622 7.669 -10.410 1.00 41.14 C ATOM 141 C ALA A 319 7.539 8.737 -10.518 1.00 43.42 C ATOM 142 O ALA A 319 7.835 9.915 -10.718 1.00 2.12 O ATOM 143 CB ALA A 319 8.648 6.812 -11.667 1.00 51.35 C ATOM 0 H ALA A 319 7.901 5.974 -9.410 1.00 72.32 H new ATOM 0 HA ALA A 319 9.583 8.173 -10.307 1.00 41.14 H new ATOM 0 HB1 ALA A 319 8.800 7.449 -12.539 1.00 51.35 H new ATOM 0 HB2 ALA A 319 9.462 6.091 -11.599 1.00 51.35 H new ATOM 0 HB3 ALA A 319 7.701 6.282 -11.765 1.00 51.35 H new ATOM 149 N GLN A 320 6.285 8.318 -10.385 1.00 62.35 N ATOM 150 CA GLN A 320 5.159 9.240 -10.470 1.00 33.34 C ATOM 151 C GLN A 320 5.357 10.428 -9.534 1.00 73.04 C ATOM 152 O GLN A 320 4.901 11.535 -9.818 1.00 44.34 O ATOM 153 CB GLN A 320 3.855 8.517 -10.127 1.00 14.43 C ATOM 154 CG GLN A 320 3.631 8.342 -8.633 1.00 71.24 C ATOM 155 CD GLN A 320 2.877 9.503 -8.016 1.00 3.13 C ATOM 156 OE1 GLN A 320 3.478 10.424 -7.462 1.00 44.33 O ATOM 157 NE2 GLN A 320 1.553 9.465 -8.107 1.00 40.51 N ATOM 0 H GLN A 320 6.023 7.346 -10.218 1.00 62.35 H new ATOM 0 HA GLN A 320 5.102 9.612 -11.493 1.00 33.34 H new ATOM 0 HB2 GLN A 320 3.019 9.074 -10.549 1.00 14.43 H new ATOM 0 HB3 GLN A 320 3.857 7.536 -10.603 1.00 14.43 H new ATOM 0 HG2 GLN A 320 3.077 7.420 -8.458 1.00 71.24 H new ATOM 0 HG3 GLN A 320 4.595 8.234 -8.135 1.00 71.24 H new ATOM 0 HE21 GLN A 320 1.096 8.682 -8.575 1.00 40.51 H new ATOM 0 HE22 GLN A 320 0.993 10.219 -7.709 1.00 40.51 H new ATOM 166 N GLU A 321 6.039 10.189 -8.418 1.00 55.34 N ATOM 167 CA GLU A 321 6.295 11.241 -7.441 1.00 61.22 C ATOM 168 C GLU A 321 7.459 12.123 -7.884 1.00 22.43 C ATOM 169 O GLU A 321 7.438 13.338 -7.692 1.00 21.34 O ATOM 170 CB GLU A 321 6.595 10.631 -6.070 1.00 42.31 C ATOM 171 CG GLU A 321 6.560 11.640 -4.935 1.00 14.25 C ATOM 172 CD GLU A 321 7.462 11.251 -3.780 1.00 2.01 C ATOM 173 OE1 GLU A 321 6.933 10.953 -2.688 1.00 40.05 O ATOM 174 OE2 GLU A 321 8.697 11.245 -3.967 1.00 74.41 O ATOM 0 H GLU A 321 6.424 9.278 -8.168 1.00 55.34 H new ATOM 0 HA GLU A 321 5.401 11.860 -7.368 1.00 61.22 H new ATOM 0 HB2 GLU A 321 5.871 9.842 -5.866 1.00 42.31 H new ATOM 0 HB3 GLU A 321 7.578 10.162 -6.098 1.00 42.31 H new ATOM 0 HG2 GLU A 321 6.861 12.617 -5.313 1.00 14.25 H new ATOM 0 HG3 GLU A 321 5.536 11.740 -4.574 1.00 14.25 H new ATOM 181 N GLU A 322 8.473 11.500 -8.477 1.00 4.24 N ATOM 182 CA GLU A 322 9.647 12.228 -8.945 1.00 52.30 C ATOM 183 C GLU A 322 9.266 13.235 -10.027 1.00 65.32 C ATOM 184 O GLU A 322 9.450 14.441 -9.860 1.00 72.43 O ATOM 185 CB GLU A 322 10.697 11.255 -9.485 1.00 34.33 C ATOM 186 CG GLU A 322 11.987 11.930 -9.917 1.00 64.20 C ATOM 187 CD GLU A 322 12.947 10.973 -10.598 1.00 33.34 C ATOM 188 OE1 GLU A 322 13.311 11.229 -11.764 1.00 62.14 O ATOM 189 OE2 GLU A 322 13.333 9.968 -9.964 1.00 54.23 O ATOM 0 H GLU A 322 8.505 10.494 -8.644 1.00 4.24 H new ATOM 0 HA GLU A 322 10.068 12.771 -8.099 1.00 52.30 H new ATOM 0 HB2 GLU A 322 10.923 10.515 -8.717 1.00 34.33 H new ATOM 0 HB3 GLU A 322 10.277 10.715 -10.334 1.00 34.33 H new ATOM 0 HG2 GLU A 322 11.754 12.750 -10.597 1.00 64.20 H new ATOM 0 HG3 GLU A 322 12.473 12.367 -9.045 1.00 64.20 H new ATOM 196 N ARG A 323 8.737 12.730 -11.137 1.00 34.25 N ATOM 197 CA ARG A 323 8.332 13.583 -12.247 1.00 40.41 C ATOM 198 C ARG A 323 7.409 14.699 -11.767 1.00 12.32 C ATOM 199 O ARG A 323 7.474 15.828 -12.256 1.00 62.32 O ATOM 200 CB ARG A 323 7.631 12.755 -13.325 1.00 53.44 C ATOM 201 CG ARG A 323 6.375 12.054 -12.834 1.00 70.12 C ATOM 202 CD ARG A 323 6.139 10.748 -13.577 1.00 42.44 C ATOM 203 NE ARG A 323 6.277 10.909 -15.022 1.00 62.54 N ATOM 204 CZ ARG A 323 6.508 9.900 -15.855 1.00 25.41 C ATOM 205 NH1 ARG A 323 6.626 8.664 -15.388 1.00 45.30 N ATOM 206 NH2 ARG A 323 6.622 10.125 -17.158 1.00 14.24 N ATOM 0 H ARG A 323 8.579 11.734 -11.291 1.00 34.25 H new ATOM 0 HA ARG A 323 9.229 14.034 -12.671 1.00 40.41 H new ATOM 0 HB2 ARG A 323 7.371 13.406 -14.159 1.00 53.44 H new ATOM 0 HB3 ARG A 323 8.327 12.009 -13.708 1.00 53.44 H new ATOM 0 HG2 ARG A 323 6.462 11.856 -11.766 1.00 70.12 H new ATOM 0 HG3 ARG A 323 5.515 12.710 -12.967 1.00 70.12 H new ATOM 0 HD2 ARG A 323 6.848 9.998 -13.226 1.00 42.44 H new ATOM 0 HD3 ARG A 323 5.141 10.375 -13.347 1.00 42.44 H new ATOM 0 HE ARG A 323 6.191 11.847 -15.413 1.00 62.54 H new ATOM 0 HH11 ARG A 323 6.539 8.486 -14.387 1.00 45.30 H new ATOM 0 HH12 ARG A 323 6.803 7.891 -16.030 1.00 45.30 H new ATOM 0 HH21 ARG A 323 6.532 11.074 -17.521 1.00 14.24 H new ATOM 0 HH22 ARG A 323 6.799 9.349 -17.796 1.00 14.24 H new ATOM 220 N LEU A 324 6.549 14.377 -10.807 1.00 21.52 N ATOM 221 CA LEU A 324 5.611 15.351 -10.260 1.00 45.30 C ATOM 222 C LEU A 324 6.343 16.413 -9.445 1.00 21.43 C ATOM 223 O LEU A 324 5.997 17.593 -9.491 1.00 64.31 O ATOM 224 CB LEU A 324 4.568 14.651 -9.388 1.00 22.04 C ATOM 225 CG LEU A 324 3.222 14.361 -10.053 1.00 65.40 C ATOM 226 CD1 LEU A 324 3.418 13.535 -11.315 1.00 42.22 C ATOM 227 CD2 LEU A 324 2.292 13.645 -9.085 1.00 10.14 C ATOM 0 H LEU A 324 6.482 13.448 -10.391 1.00 21.52 H new ATOM 0 HA LEU A 324 5.108 15.842 -11.093 1.00 45.30 H new ATOM 0 HB2 LEU A 324 4.989 13.708 -9.040 1.00 22.04 H new ATOM 0 HB3 LEU A 324 4.390 15.266 -8.506 1.00 22.04 H new ATOM 0 HG LEU A 324 2.764 15.310 -10.331 1.00 65.40 H new ATOM 0 HD11 LEU A 324 2.450 13.338 -11.775 1.00 42.22 H new ATOM 0 HD12 LEU A 324 4.047 14.084 -12.015 1.00 42.22 H new ATOM 0 HD13 LEU A 324 3.898 12.590 -11.060 1.00 42.22 H new ATOM 0 HD21 LEU A 324 1.339 13.447 -9.575 1.00 10.14 H new ATOM 0 HD22 LEU A 324 2.744 12.703 -8.776 1.00 10.14 H new ATOM 0 HD23 LEU A 324 2.126 14.272 -8.209 1.00 10.14 H new ATOM 239 N ALA A 325 7.357 15.985 -8.700 1.00 62.50 N ATOM 240 CA ALA A 325 8.140 16.898 -7.878 1.00 5.50 C ATOM 241 C ALA A 325 8.637 18.085 -8.697 1.00 2.00 C ATOM 242 O ALA A 325 8.709 19.209 -8.199 1.00 74.31 O ATOM 243 CB ALA A 325 9.313 16.165 -7.244 1.00 32.14 C ATOM 0 H ALA A 325 7.655 15.011 -8.649 1.00 62.50 H new ATOM 0 HA ALA A 325 7.494 17.280 -7.087 1.00 5.50 H new ATOM 0 HB1 ALA A 325 9.889 16.860 -6.633 1.00 32.14 H new ATOM 0 HB2 ALA A 325 8.940 15.354 -6.618 1.00 32.14 H new ATOM 0 HB3 ALA A 325 9.952 15.755 -8.026 1.00 32.14 H new ATOM 249 N ASP A 326 8.980 17.828 -9.954 1.00 72.14 N ATOM 250 CA ASP A 326 9.470 18.875 -10.843 1.00 12.31 C ATOM 251 C ASP A 326 8.478 20.032 -10.918 1.00 2.11 C ATOM 252 O ASP A 326 8.867 21.200 -10.879 1.00 54.41 O ATOM 253 CB ASP A 326 9.721 18.311 -12.242 1.00 72.20 C ATOM 254 CG ASP A 326 10.342 19.331 -13.175 1.00 54.54 C ATOM 255 OD1 ASP A 326 10.428 19.051 -14.389 1.00 74.24 O ATOM 256 OD2 ASP A 326 10.741 20.411 -12.692 1.00 13.30 O ATOM 0 H ASP A 326 8.928 16.903 -10.381 1.00 72.14 H new ATOM 0 HA ASP A 326 10.410 19.251 -10.438 1.00 12.31 H new ATOM 0 HB2 ASP A 326 10.377 17.444 -12.168 1.00 72.20 H new ATOM 0 HB3 ASP A 326 8.778 17.963 -12.665 1.00 72.20 H new ATOM 261 N LEU A 327 7.197 19.700 -11.027 1.00 34.35 N ATOM 262 CA LEU A 327 6.148 20.711 -11.108 1.00 63.12 C ATOM 263 C LEU A 327 5.751 21.197 -9.718 1.00 45.41 C ATOM 264 O LEU A 327 5.526 22.389 -9.508 1.00 21.34 O ATOM 265 CB LEU A 327 4.924 20.147 -11.832 1.00 43.54 C ATOM 266 CG LEU A 327 4.063 21.163 -12.584 1.00 33.11 C ATOM 267 CD1 LEU A 327 3.472 22.179 -11.619 1.00 53.22 C ATOM 268 CD2 LEU A 327 4.879 21.860 -13.662 1.00 51.44 C ATOM 0 H LEU A 327 6.859 18.738 -11.061 1.00 34.35 H new ATOM 0 HA LEU A 327 6.538 21.559 -11.671 1.00 63.12 H new ATOM 0 HB2 LEU A 327 5.262 19.391 -12.541 1.00 43.54 H new ATOM 0 HB3 LEU A 327 4.296 19.639 -11.100 1.00 43.54 H new ATOM 0 HG LEU A 327 3.243 20.630 -13.066 1.00 33.11 H new ATOM 0 HD11 LEU A 327 2.862 22.894 -12.172 1.00 53.22 H new ATOM 0 HD12 LEU A 327 2.852 21.665 -10.884 1.00 53.22 H new ATOM 0 HD13 LEU A 327 4.277 22.707 -11.108 1.00 53.22 H new ATOM 0 HD21 LEU A 327 4.250 22.579 -14.187 1.00 51.44 H new ATOM 0 HD22 LEU A 327 5.720 22.380 -13.203 1.00 51.44 H new ATOM 0 HD23 LEU A 327 5.253 21.121 -14.370 1.00 51.44 H new ATOM 280 N ALA A 328 5.670 20.267 -8.772 1.00 42.52 N ATOM 281 CA ALA A 328 5.305 20.602 -7.401 1.00 42.13 C ATOM 282 C ALA A 328 6.191 21.716 -6.854 1.00 11.13 C ATOM 283 O ALA A 328 5.706 22.650 -6.214 1.00 63.33 O ATOM 284 CB ALA A 328 5.396 19.369 -6.515 1.00 22.12 C ATOM 0 H ALA A 328 5.852 19.276 -8.930 1.00 42.52 H new ATOM 0 HA ALA A 328 4.275 20.960 -7.402 1.00 42.13 H new ATOM 0 HB1 ALA A 328 5.121 19.634 -5.494 1.00 22.12 H new ATOM 0 HB2 ALA A 328 4.716 18.603 -6.887 1.00 22.12 H new ATOM 0 HB3 ALA A 328 6.416 18.986 -6.528 1.00 22.12 H new ATOM 290 N SER A 329 7.491 21.611 -7.108 1.00 43.00 N ATOM 291 CA SER A 329 8.445 22.608 -6.636 1.00 64.23 C ATOM 292 C SER A 329 8.383 23.868 -7.494 1.00 11.23 C ATOM 293 O SER A 329 8.526 24.983 -6.990 1.00 73.51 O ATOM 294 CB SER A 329 9.864 22.035 -6.654 1.00 10.11 C ATOM 295 OG SER A 329 10.073 21.157 -5.562 1.00 31.51 O ATOM 0 H SER A 329 7.908 20.846 -7.638 1.00 43.00 H new ATOM 0 HA SER A 329 8.180 22.873 -5.612 1.00 64.23 H new ATOM 0 HB2 SER A 329 10.033 21.503 -7.590 1.00 10.11 H new ATOM 0 HB3 SER A 329 10.589 22.848 -6.615 1.00 10.11 H new ATOM 0 HG SER A 329 10.986 20.803 -5.597 1.00 31.51 H new ATOM 301 N ASP A 330 8.169 23.683 -8.792 1.00 34.15 N ATOM 302 CA ASP A 330 8.086 24.804 -9.720 1.00 52.05 C ATOM 303 C ASP A 330 7.054 25.824 -9.250 1.00 52.33 C ATOM 304 O ASP A 330 7.336 27.021 -9.179 1.00 0.21 O ATOM 305 CB ASP A 330 7.728 24.307 -11.122 1.00 43.32 C ATOM 306 CG ASP A 330 7.416 25.443 -12.077 1.00 33.14 C ATOM 307 OD1 ASP A 330 6.245 25.560 -12.495 1.00 42.42 O ATOM 308 OD2 ASP A 330 8.342 26.214 -12.406 1.00 32.32 O ATOM 0 H ASP A 330 8.050 22.767 -9.225 1.00 34.15 H new ATOM 0 HA ASP A 330 9.061 25.290 -9.752 1.00 52.05 H new ATOM 0 HB2 ASP A 330 8.556 23.720 -11.519 1.00 43.32 H new ATOM 0 HB3 ASP A 330 6.867 23.642 -11.060 1.00 43.32 H new ATOM 313 N LEU A 331 5.857 25.344 -8.932 1.00 21.33 N ATOM 314 CA LEU A 331 4.781 26.214 -8.469 1.00 65.20 C ATOM 315 C LEU A 331 5.009 26.639 -7.022 1.00 21.31 C ATOM 316 O LEU A 331 4.719 27.774 -6.644 1.00 15.51 O ATOM 317 CB LEU A 331 3.433 25.503 -8.598 1.00 11.41 C ATOM 318 CG LEU A 331 3.182 24.357 -7.617 1.00 52.15 C ATOM 319 CD1 LEU A 331 2.532 24.876 -6.344 1.00 43.42 C ATOM 320 CD2 LEU A 331 2.315 23.285 -8.261 1.00 62.34 C ATOM 0 H LEU A 331 5.607 24.357 -8.986 1.00 21.33 H new ATOM 0 HA LEU A 331 4.775 27.107 -9.094 1.00 65.20 H new ATOM 0 HB2 LEU A 331 2.642 26.242 -8.473 1.00 11.41 H new ATOM 0 HB3 LEU A 331 3.346 25.112 -9.612 1.00 11.41 H new ATOM 0 HG LEU A 331 4.142 23.912 -7.355 1.00 52.15 H new ATOM 0 HD11 LEU A 331 2.361 24.046 -5.658 1.00 43.42 H new ATOM 0 HD12 LEU A 331 3.188 25.607 -5.872 1.00 43.42 H new ATOM 0 HD13 LEU A 331 1.580 25.347 -6.588 1.00 43.42 H new ATOM 0 HD21 LEU A 331 2.146 22.477 -7.549 1.00 62.34 H new ATOM 0 HD22 LEU A 331 1.358 23.718 -8.552 1.00 62.34 H new ATOM 0 HD23 LEU A 331 2.819 22.891 -9.144 1.00 62.34 H new ATOM 332 N LEU A 332 5.532 25.721 -6.217 1.00 23.33 N ATOM 333 CA LEU A 332 5.802 26.001 -4.811 1.00 32.54 C ATOM 334 C LEU A 332 6.632 27.271 -4.657 1.00 71.05 C ATOM 335 O LEU A 332 6.226 28.213 -3.975 1.00 75.51 O ATOM 336 CB LEU A 332 6.531 24.820 -4.166 1.00 41.41 C ATOM 337 CG LEU A 332 6.922 24.994 -2.698 1.00 65.11 C ATOM 338 CD1 LEU A 332 5.755 24.641 -1.789 1.00 64.42 C ATOM 339 CD2 LEU A 332 8.137 24.140 -2.366 1.00 4.04 C ATOM 0 H LEU A 332 5.778 24.776 -6.514 1.00 23.33 H new ATOM 0 HA LEU A 332 4.847 26.150 -4.307 1.00 32.54 H new ATOM 0 HB2 LEU A 332 5.897 23.937 -4.250 1.00 41.41 H new ATOM 0 HB3 LEU A 332 7.435 24.619 -4.741 1.00 41.41 H new ATOM 0 HG LEU A 332 7.181 26.040 -2.532 1.00 65.11 H new ATOM 0 HD11 LEU A 332 6.052 24.771 -0.748 1.00 64.42 H new ATOM 0 HD12 LEU A 332 4.911 25.295 -2.010 1.00 64.42 H new ATOM 0 HD13 LEU A 332 5.464 23.604 -1.957 1.00 64.42 H new ATOM 0 HD21 LEU A 332 8.402 24.276 -1.317 1.00 4.04 H new ATOM 0 HD22 LEU A 332 7.905 23.091 -2.549 1.00 4.04 H new ATOM 0 HD23 LEU A 332 8.976 24.441 -2.994 1.00 4.04 H new ATOM 351 N LEU A 333 7.795 27.292 -5.298 1.00 64.11 N ATOM 352 CA LEU A 333 8.683 28.448 -5.235 1.00 53.24 C ATOM 353 C LEU A 333 7.937 29.727 -5.601 1.00 14.42 C ATOM 354 O LEU A 333 8.185 30.787 -5.026 1.00 33.10 O ATOM 355 CB LEU A 333 9.874 28.253 -6.175 1.00 1.12 C ATOM 356 CG LEU A 333 10.950 29.339 -6.129 1.00 55.14 C ATOM 357 CD1 LEU A 333 11.821 29.176 -4.894 1.00 64.51 C ATOM 358 CD2 LEU A 333 11.798 29.303 -7.392 1.00 60.41 C ATOM 0 H LEU A 333 8.145 26.522 -5.867 1.00 64.11 H new ATOM 0 HA LEU A 333 9.047 28.541 -4.212 1.00 53.24 H new ATOM 0 HB2 LEU A 333 10.342 27.296 -5.943 1.00 1.12 H new ATOM 0 HB3 LEU A 333 9.498 28.185 -7.196 1.00 1.12 H new ATOM 0 HG LEU A 333 10.457 30.310 -6.074 1.00 55.14 H new ATOM 0 HD11 LEU A 333 12.581 29.958 -4.879 1.00 64.51 H new ATOM 0 HD12 LEU A 333 11.203 29.254 -4.000 1.00 64.51 H new ATOM 0 HD13 LEU A 333 12.305 28.200 -4.917 1.00 64.51 H new ATOM 0 HD21 LEU A 333 12.558 30.082 -7.342 1.00 60.41 H new ATOM 0 HD22 LEU A 333 12.281 28.330 -7.478 1.00 60.41 H new ATOM 0 HD23 LEU A 333 11.163 29.471 -8.262 1.00 60.41 H new ATOM 370 N GLN A 334 7.021 29.620 -6.558 1.00 61.52 N ATOM 371 CA GLN A 334 6.238 30.768 -6.999 1.00 31.15 C ATOM 372 C GLN A 334 5.412 31.336 -5.849 1.00 52.34 C ATOM 373 O GLN A 334 5.235 32.550 -5.739 1.00 64.14 O ATOM 374 CB GLN A 334 5.319 30.372 -8.156 1.00 22.03 C ATOM 375 CG GLN A 334 5.054 31.503 -9.136 1.00 62.25 C ATOM 376 CD GLN A 334 5.943 31.433 -10.362 1.00 65.32 C ATOM 377 OE1 GLN A 334 5.477 31.588 -11.491 1.00 63.33 O ATOM 378 NE2 GLN A 334 7.233 31.198 -10.146 1.00 55.21 N ATOM 0 H GLN A 334 6.803 28.750 -7.043 1.00 61.52 H new ATOM 0 HA GLN A 334 6.929 31.538 -7.342 1.00 31.15 H new ATOM 0 HB2 GLN A 334 5.764 29.534 -8.693 1.00 22.03 H new ATOM 0 HB3 GLN A 334 4.369 30.023 -7.751 1.00 22.03 H new ATOM 0 HG2 GLN A 334 4.010 31.472 -9.447 1.00 62.25 H new ATOM 0 HG3 GLN A 334 5.209 32.458 -8.634 1.00 62.25 H new ATOM 0 HE21 GLN A 334 7.577 31.076 -9.193 1.00 55.21 H new ATOM 0 HE22 GLN A 334 7.880 31.140 -10.933 1.00 55.21 H new ATOM 387 N TYR A 335 4.908 30.452 -4.996 1.00 74.01 N ATOM 388 CA TYR A 335 4.097 30.865 -3.857 1.00 4.54 C ATOM 389 C TYR A 335 4.851 31.868 -2.988 1.00 14.31 C ATOM 390 O TYR A 335 4.264 32.814 -2.460 1.00 43.31 O ATOM 391 CB TYR A 335 3.697 29.649 -3.020 1.00 63.23 C ATOM 392 CG TYR A 335 2.378 29.816 -2.300 1.00 44.31 C ATOM 393 CD1 TYR A 335 2.290 29.650 -0.923 1.00 63.24 C ATOM 394 CD2 TYR A 335 1.220 30.140 -2.996 1.00 63.11 C ATOM 395 CE1 TYR A 335 1.087 29.801 -0.261 1.00 44.11 C ATOM 396 CE2 TYR A 335 0.014 30.295 -2.342 1.00 75.40 C ATOM 397 CZ TYR A 335 -0.048 30.124 -0.975 1.00 20.03 C ATOM 398 OH TYR A 335 -1.249 30.276 -0.320 1.00 24.24 O ATOM 0 H TYR A 335 5.047 29.444 -5.072 1.00 74.01 H new ATOM 0 HA TYR A 335 3.197 31.346 -4.240 1.00 4.54 H new ATOM 0 HB2 TYR A 335 3.639 28.775 -3.669 1.00 63.23 H new ATOM 0 HB3 TYR A 335 4.479 29.450 -2.287 1.00 63.23 H new ATOM 0 HD1 TYR A 335 3.177 29.399 -0.361 1.00 63.24 H new ATOM 0 HD2 TYR A 335 1.264 30.273 -4.067 1.00 63.11 H new ATOM 0 HE1 TYR A 335 1.036 29.667 0.809 1.00 44.11 H new ATOM 0 HE2 TYR A 335 -0.876 30.549 -2.898 1.00 75.40 H new ATOM 0 HH TYR A 335 -1.948 30.504 -0.968 1.00 24.24 H new ATOM 408 N LEU A 336 6.154 31.655 -2.844 1.00 71.14 N ATOM 409 CA LEU A 336 6.990 32.540 -2.041 1.00 21.34 C ATOM 410 C LEU A 336 7.517 33.701 -2.878 1.00 72.40 C ATOM 411 O LEU A 336 7.433 34.861 -2.473 1.00 20.22 O ATOM 412 CB LEU A 336 8.159 31.760 -1.437 1.00 63.51 C ATOM 413 CG LEU A 336 7.795 30.713 -0.383 1.00 63.14 C ATOM 414 CD1 LEU A 336 7.509 29.371 -1.040 1.00 44.42 C ATOM 415 CD2 LEU A 336 8.911 30.579 0.643 1.00 15.32 C ATOM 0 H LEU A 336 6.655 30.877 -3.273 1.00 71.14 H new ATOM 0 HA LEU A 336 6.377 32.946 -1.236 1.00 21.34 H new ATOM 0 HB2 LEU A 336 8.693 31.262 -2.246 1.00 63.51 H new ATOM 0 HB3 LEU A 336 8.852 32.472 -0.989 1.00 63.51 H new ATOM 0 HG LEU A 336 6.892 31.042 0.132 1.00 63.14 H new ATOM 0 HD11 LEU A 336 7.252 28.639 -0.275 1.00 44.42 H new ATOM 0 HD12 LEU A 336 6.676 29.477 -1.736 1.00 44.42 H new ATOM 0 HD13 LEU A 336 8.394 29.035 -1.581 1.00 44.42 H new ATOM 0 HD21 LEU A 336 8.635 29.830 1.385 1.00 15.32 H new ATOM 0 HD22 LEU A 336 9.830 30.273 0.143 1.00 15.32 H new ATOM 0 HD23 LEU A 336 9.068 31.538 1.137 1.00 15.32 H new ATOM 427 N LEU A 337 8.058 33.381 -4.049 1.00 13.25 N ATOM 428 CA LEU A 337 8.596 34.398 -4.945 1.00 63.14 C ATOM 429 C LEU A 337 7.569 35.495 -5.204 1.00 51.22 C ATOM 430 O LEU A 337 7.883 36.683 -5.126 1.00 33.42 O ATOM 431 CB LEU A 337 9.025 33.763 -6.269 1.00 65.32 C ATOM 432 CG LEU A 337 10.025 34.563 -7.105 1.00 0.22 C ATOM 433 CD1 LEU A 337 10.883 33.632 -7.947 1.00 41.01 C ATOM 434 CD2 LEU A 337 9.299 35.567 -7.988 1.00 75.12 C ATOM 0 H LEU A 337 8.135 32.426 -4.399 1.00 13.25 H new ATOM 0 HA LEU A 337 9.466 34.847 -4.465 1.00 63.14 H new ATOM 0 HB2 LEU A 337 9.459 32.786 -6.056 1.00 65.32 H new ATOM 0 HB3 LEU A 337 8.133 33.591 -6.872 1.00 65.32 H new ATOM 0 HG LEU A 337 10.679 35.112 -6.427 1.00 0.22 H new ATOM 0 HD11 LEU A 337 11.588 34.219 -8.535 1.00 41.01 H new ATOM 0 HD12 LEU A 337 11.432 32.953 -7.294 1.00 41.01 H new ATOM 0 HD13 LEU A 337 10.245 33.055 -8.616 1.00 41.01 H new ATOM 0 HD21 LEU A 337 10.026 36.127 -8.576 1.00 75.12 H new ATOM 0 HD22 LEU A 337 8.621 35.039 -8.658 1.00 75.12 H new ATOM 0 HD23 LEU A 337 8.729 36.255 -7.364 1.00 75.12 H new ATOM 446 N GLN A 338 6.341 35.089 -5.511 1.00 22.23 N ATOM 447 CA GLN A 338 5.268 36.038 -5.779 1.00 54.23 C ATOM 448 C GLN A 338 5.113 37.026 -4.627 1.00 65.14 C ATOM 449 O GLN A 338 4.904 38.219 -4.843 1.00 73.32 O ATOM 450 CB GLN A 338 3.949 35.298 -6.011 1.00 65.54 C ATOM 451 CG GLN A 338 2.870 36.160 -6.645 1.00 1.41 C ATOM 452 CD GLN A 338 1.653 35.359 -7.062 1.00 53.32 C ATOM 453 OE1 GLN A 338 0.601 35.429 -6.425 1.00 61.13 O ATOM 454 NE2 GLN A 338 1.789 34.592 -8.138 1.00 14.24 N ATOM 0 H GLN A 338 6.065 34.109 -5.580 1.00 22.23 H new ATOM 0 HA GLN A 338 5.528 36.595 -6.679 1.00 54.23 H new ATOM 0 HB2 GLN A 338 4.134 34.435 -6.650 1.00 65.54 H new ATOM 0 HB3 GLN A 338 3.584 34.917 -5.058 1.00 65.54 H new ATOM 0 HG2 GLN A 338 2.567 36.933 -5.939 1.00 1.41 H new ATOM 0 HG3 GLN A 338 3.282 36.668 -7.517 1.00 1.41 H new ATOM 0 HE21 GLN A 338 2.679 34.564 -8.635 1.00 14.24 H new ATOM 0 HE22 GLN A 338 1.003 34.031 -8.467 1.00 14.24 H new ATOM 463 N GLY A 339 5.219 36.520 -3.402 1.00 52.02 N ATOM 464 CA GLY A 339 5.088 37.371 -2.234 1.00 50.54 C ATOM 465 C GLY A 339 6.099 38.501 -2.224 1.00 54.24 C ATOM 466 O GLY A 339 5.806 39.601 -1.758 1.00 53.42 O ATOM 0 H GLY A 339 5.393 35.536 -3.198 1.00 52.02 H new ATOM 0 HA2 GLY A 339 4.081 37.788 -2.203 1.00 50.54 H new ATOM 0 HA3 GLY A 339 5.212 36.769 -1.334 1.00 50.54 H new ATOM 470 N GLY A 340 7.294 38.229 -2.739 1.00 71.32 N ATOM 471 CA GLY A 340 8.334 39.240 -2.776 1.00 53.41 C ATOM 472 C GLY A 340 8.275 40.087 -4.032 1.00 72.32 C ATOM 473 O GLY A 340 8.581 41.278 -4.001 1.00 10.22 O ATOM 0 H GLY A 340 7.560 37.326 -3.131 1.00 71.32 H new ATOM 0 HA2 GLY A 340 8.241 39.885 -1.902 1.00 53.41 H new ATOM 0 HA3 GLY A 340 9.309 38.756 -2.713 1.00 53.41 H new ATOM 477 N ALA A 341 7.882 39.470 -5.142 1.00 32.32 N ATOM 478 CA ALA A 341 7.784 40.174 -6.414 1.00 14.41 C ATOM 479 C ALA A 341 6.801 41.337 -6.323 1.00 73.33 C ATOM 480 O ALA A 341 7.020 42.395 -6.912 1.00 45.23 O ATOM 481 CB ALA A 341 7.368 39.214 -7.519 1.00 0.15 C ATOM 0 H ALA A 341 7.626 38.484 -5.185 1.00 32.32 H new ATOM 0 HA ALA A 341 8.767 40.580 -6.653 1.00 14.41 H new ATOM 0 HB1 ALA A 341 7.299 39.754 -8.463 1.00 0.15 H new ATOM 0 HB2 ALA A 341 8.109 38.420 -7.609 1.00 0.15 H new ATOM 0 HB3 ALA A 341 6.398 38.780 -7.278 1.00 0.15 H new ATOM 487 N ARG A 342 5.716 41.132 -5.583 1.00 3.23 N ATOM 488 CA ARG A 342 4.699 42.163 -5.417 1.00 33.00 C ATOM 489 C ARG A 342 5.230 43.322 -4.579 1.00 44.11 C ATOM 490 O ARG A 342 4.970 44.487 -4.879 1.00 64.01 O ATOM 491 CB ARG A 342 3.449 41.575 -4.759 1.00 22.03 C ATOM 492 CG ARG A 342 2.589 40.757 -5.708 1.00 33.34 C ATOM 493 CD ARG A 342 1.529 39.966 -4.957 1.00 12.02 C ATOM 494 NE ARG A 342 0.302 40.736 -4.769 1.00 70.14 N ATOM 495 CZ ARG A 342 -0.608 40.455 -3.843 1.00 63.11 C ATOM 496 NH1 ARG A 342 -0.429 39.428 -3.024 1.00 31.12 N ATOM 497 NH2 ARG A 342 -1.699 41.202 -3.734 1.00 44.45 N ATOM 0 H ARG A 342 5.519 40.262 -5.089 1.00 3.23 H new ATOM 0 HA ARG A 342 4.438 42.542 -6.405 1.00 33.00 H new ATOM 0 HB2 ARG A 342 3.751 40.946 -3.922 1.00 22.03 H new ATOM 0 HB3 ARG A 342 2.849 42.387 -4.347 1.00 22.03 H new ATOM 0 HG2 ARG A 342 2.108 41.419 -6.428 1.00 33.34 H new ATOM 0 HG3 ARG A 342 3.220 40.074 -6.276 1.00 33.34 H new ATOM 0 HD2 ARG A 342 1.303 39.052 -5.505 1.00 12.02 H new ATOM 0 HD3 ARG A 342 1.921 39.666 -3.985 1.00 12.02 H new ATOM 0 HE ARG A 342 0.135 41.533 -5.383 1.00 70.14 H new ATOM 0 HH11 ARG A 342 0.409 38.852 -3.104 1.00 31.12 H new ATOM 0 HH12 ARG A 342 -1.129 39.214 -2.314 1.00 31.12 H new ATOM 0 HH21 ARG A 342 -1.840 41.993 -4.362 1.00 44.45 H new ATOM 0 HH22 ARG A 342 -2.397 40.985 -3.022 1.00 44.45 H new ATOM 511 N GLN A 343 5.975 42.993 -3.528 1.00 40.34 N ATOM 512 CA GLN A 343 6.542 44.007 -2.647 1.00 53.31 C ATOM 513 C GLN A 343 7.359 45.022 -3.440 1.00 14.54 C ATOM 514 O GLN A 343 7.187 46.231 -3.282 1.00 13.24 O ATOM 515 CB GLN A 343 7.418 43.352 -1.578 1.00 45.15 C ATOM 516 CG GLN A 343 6.649 42.920 -0.341 1.00 13.11 C ATOM 517 CD GLN A 343 6.228 44.092 0.523 1.00 10.35 C ATOM 518 OE1 GLN A 343 5.077 44.527 0.483 1.00 75.32 O ATOM 519 NE2 GLN A 343 7.161 44.611 1.313 1.00 43.45 N ATOM 0 H GLN A 343 6.200 42.033 -3.266 1.00 40.34 H new ATOM 0 HA GLN A 343 5.719 44.531 -2.161 1.00 53.31 H new ATOM 0 HB2 GLN A 343 7.914 42.482 -2.009 1.00 45.15 H new ATOM 0 HB3 GLN A 343 8.201 44.051 -1.283 1.00 45.15 H new ATOM 0 HG2 GLN A 343 5.764 42.361 -0.645 1.00 13.11 H new ATOM 0 HG3 GLN A 343 7.267 42.243 0.248 1.00 13.11 H new ATOM 0 HE21 GLN A 343 8.103 44.220 1.315 1.00 43.45 H new ATOM 0 HE22 GLN A 343 6.936 45.401 1.918 1.00 43.45 H new ATOM 528 N ARG A 344 8.248 44.523 -4.292 1.00 12.22 N ATOM 529 CA ARG A 344 9.093 45.387 -5.108 1.00 35.11 C ATOM 530 C ARG A 344 8.294 46.004 -6.253 1.00 23.42 C ATOM 531 O ARG A 344 8.481 47.170 -6.595 1.00 54.41 O ATOM 532 CB ARG A 344 10.278 44.597 -5.666 1.00 11.01 C ATOM 533 CG ARG A 344 10.993 43.754 -4.623 1.00 31.31 C ATOM 534 CD ARG A 344 12.468 43.591 -4.954 1.00 61.12 C ATOM 535 NE ARG A 344 12.677 43.211 -6.349 1.00 23.44 N ATOM 536 CZ ARG A 344 13.873 43.156 -6.924 1.00 23.30 C ATOM 537 NH1 ARG A 344 14.962 43.455 -6.228 1.00 73.42 N ATOM 538 NH2 ARG A 344 13.982 42.801 -8.198 1.00 25.32 N ATOM 0 H ARG A 344 8.402 43.525 -4.435 1.00 12.22 H new ATOM 0 HA ARG A 344 9.467 46.191 -4.474 1.00 35.11 H new ATOM 0 HB2 ARG A 344 9.926 43.947 -6.467 1.00 11.01 H new ATOM 0 HB3 ARG A 344 10.991 45.292 -6.110 1.00 11.01 H new ATOM 0 HG2 ARG A 344 10.888 44.220 -3.643 1.00 31.31 H new ATOM 0 HG3 ARG A 344 10.522 42.773 -4.562 1.00 31.31 H new ATOM 0 HD2 ARG A 344 12.991 44.526 -4.751 1.00 61.12 H new ATOM 0 HD3 ARG A 344 12.904 42.834 -4.303 1.00 61.12 H new ATOM 0 HE ARG A 344 11.860 42.975 -6.912 1.00 23.44 H new ATOM 0 HH11 ARG A 344 14.882 43.728 -5.248 1.00 73.42 H new ATOM 0 HH12 ARG A 344 15.879 43.412 -6.672 1.00 73.42 H new ATOM 0 HH21 ARG A 344 13.147 42.570 -8.736 1.00 25.32 H new ATOM 0 HH22 ARG A 344 14.901 42.759 -8.639 1.00 25.32 H new ATOM 552 N GLY A 345 7.404 45.210 -6.842 1.00 2.34 N ATOM 553 CA GLY A 345 6.592 45.695 -7.942 1.00 13.41 C ATOM 554 C GLY A 345 5.866 46.983 -7.604 1.00 25.34 C ATOM 555 O GLY A 345 6.116 48.023 -8.214 1.00 15.32 O ATOM 0 H GLY A 345 7.231 44.240 -6.577 1.00 2.34 H new ATOM 0 HA2 GLY A 345 7.226 45.857 -8.814 1.00 13.41 H new ATOM 0 HA3 GLY A 345 5.863 44.932 -8.215 1.00 13.41 H new ATOM 559 N LEU A 346 4.966 46.914 -6.630 1.00 35.22 N ATOM 560 CA LEU A 346 4.200 48.083 -6.212 1.00 12.11 C ATOM 561 C LEU A 346 4.152 48.188 -4.691 1.00 31.51 C ATOM 562 O LEU A 346 4.290 47.189 -3.985 1.00 55.23 O ATOM 563 CB LEU A 346 2.779 48.015 -6.775 1.00 20.53 C ATOM 564 CG LEU A 346 1.880 46.921 -6.196 1.00 40.23 C ATOM 565 CD1 LEU A 346 0.424 47.358 -6.223 1.00 54.10 C ATOM 566 CD2 LEU A 346 2.062 45.620 -6.963 1.00 64.44 C ATOM 0 H LEU A 346 4.748 46.061 -6.115 1.00 35.22 H new ATOM 0 HA LEU A 346 4.697 48.971 -6.603 1.00 12.11 H new ATOM 0 HB2 LEU A 346 2.297 48.979 -6.610 1.00 20.53 H new ATOM 0 HB3 LEU A 346 2.843 47.872 -7.854 1.00 20.53 H new ATOM 0 HG LEU A 346 2.168 46.751 -5.159 1.00 40.23 H new ATOM 0 HD11 LEU A 346 -0.201 46.567 -5.807 1.00 54.10 H new ATOM 0 HD12 LEU A 346 0.305 48.264 -5.629 1.00 54.10 H new ATOM 0 HD13 LEU A 346 0.123 47.556 -7.252 1.00 54.10 H new ATOM 0 HD21 LEU A 346 1.415 44.853 -6.537 1.00 64.44 H new ATOM 0 HD22 LEU A 346 1.801 45.775 -8.010 1.00 64.44 H new ATOM 0 HD23 LEU A 346 3.101 45.298 -6.892 1.00 64.44 H new