USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 526 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 Set 1.1: A 61 ASN : amide:sc= -0.607 K(o=-0.35,f=-9.2!) USER MOD Set 1.2: A 64 THR OG1 : rot -67:sc= 0.253 USER MOD Set 2.1: A 50 CYS SG : rot 121:sc= -6.26! USER MOD Set 2.2: A 52 GLN : amide:sc= -2.84! C(o=-9.1!,f=-9.3!) USER MOD Single : A 8 GLN : amide:sc= -0.74 K(o=-0.74,f=-1.4) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.411 USER MOD Single : A 39 GLN : amide:sc= -0.0399 K(o=-0.04,f=-0.58) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -162:sc= -0.254 (180deg=-0.71) USER MOD Single : A 66 GLN : amide:sc= -0.0525 X(o=-0.052,f=-0.063) USER MOD Single : A 73 THR OG1 : rot -21:sc= 0.374 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 -1.212 -0.580 12.076 1.00 43.25 N ATOM 67 CA GLY A 6 -0.642 -0.608 10.736 1.00 34.33 C ATOM 68 C GLY A 6 -0.159 0.761 10.273 1.00 73.10 C ATOM 69 O GLY A 6 -0.071 1.701 11.070 1.00 73.24 O ATOM 0 HA2 GLY A 6 0.192 -1.309 10.715 1.00 34.33 H new ATOM 0 HA3 GLY A 6 -1.389 -0.981 10.036 1.00 34.33 H new ATOM 73 N PHE A 7 0.155 0.875 8.986 1.00 61.11 N ATOM 74 CA PHE A 7 0.618 2.133 8.394 1.00 62.31 C ATOM 75 C PHE A 7 -0.205 2.493 7.146 1.00 50.31 C ATOM 76 O PHE A 7 -0.485 1.638 6.302 1.00 40.33 O ATOM 77 CB PHE A 7 2.106 2.031 8.033 1.00 62.34 C ATOM 78 CG PHE A 7 3.000 1.778 9.224 1.00 70.11 C ATOM 79 CD1 PHE A 7 3.287 0.483 9.633 1.00 35.41 C ATOM 80 CD2 PHE A 7 3.551 2.836 9.939 1.00 45.13 C ATOM 81 CE1 PHE A 7 4.102 0.247 10.724 1.00 44.30 C ATOM 82 CE2 PHE A 7 4.367 2.605 11.032 1.00 74.10 C ATOM 83 CZ PHE A 7 4.642 1.309 11.424 1.00 25.15 C ATOM 0 H PHE A 7 0.097 0.102 8.323 1.00 61.11 H new ATOM 0 HA PHE A 7 0.482 2.925 9.131 1.00 62.31 H new ATOM 0 HB2 PHE A 7 2.242 1.227 7.310 1.00 62.34 H new ATOM 0 HB3 PHE A 7 2.417 2.955 7.545 1.00 62.34 H new ATOM 0 HD1 PHE A 7 2.868 -0.352 9.091 1.00 35.41 H new ATOM 0 HD2 PHE A 7 3.339 3.851 9.637 1.00 45.13 H new ATOM 0 HE1 PHE A 7 4.317 -0.767 11.029 1.00 44.30 H new ATOM 0 HE2 PHE A 7 4.788 3.436 11.578 1.00 74.10 H new ATOM 0 HZ PHE A 7 5.279 1.126 12.277 1.00 25.15 H new ATOM 93 N GLN A 8 -0.597 3.760 7.040 1.00 1.23 N ATOM 94 CA GLN A 8 -1.400 4.240 5.906 1.00 72.30 C ATOM 95 C GLN A 8 -0.541 4.915 4.821 1.00 11.44 C ATOM 96 O GLN A 8 0.362 5.705 5.116 1.00 41.45 O ATOM 97 CB GLN A 8 -2.477 5.219 6.398 1.00 60.54 C ATOM 98 CG GLN A 8 -3.566 4.565 7.240 1.00 55.50 C ATOM 99 CD GLN A 8 -4.570 5.564 7.790 1.00 11.25 C ATOM 100 OE1 GLN A 8 -4.237 6.711 8.061 1.00 25.24 O ATOM 101 NE2 GLN A 8 -5.805 5.136 7.961 1.00 33.14 N ATOM 0 H GLN A 8 -0.373 4.480 7.727 1.00 1.23 H new ATOM 0 HA GLN A 8 -1.870 3.366 5.455 1.00 72.30 H new ATOM 0 HB2 GLN A 8 -2.000 6.004 6.984 1.00 60.54 H new ATOM 0 HB3 GLN A 8 -2.938 5.701 5.536 1.00 60.54 H new ATOM 0 HG2 GLN A 8 -4.091 3.826 6.635 1.00 55.50 H new ATOM 0 HG3 GLN A 8 -3.104 4.028 8.069 1.00 55.50 H new ATOM 0 HE21 GLN A 8 -6.049 4.174 7.725 1.00 33.14 H new ATOM 0 HE22 GLN A 8 -6.517 5.767 8.329 1.00 33.14 H new ATOM 110 N TYR A 9 -0.831 4.584 3.566 1.00 50.43 N ATOM 111 CA TYR A 9 -0.198 5.223 2.405 1.00 25.21 C ATOM 112 C TYR A 9 -1.233 6.041 1.613 1.00 61.41 C ATOM 113 O TYR A 9 -2.431 5.936 1.866 1.00 70.11 O ATOM 114 CB TYR A 9 0.436 4.156 1.498 1.00 31.22 C ATOM 115 CG TYR A 9 1.514 3.327 2.175 1.00 11.14 C ATOM 116 CD1 TYR A 9 1.197 2.158 2.860 1.00 63.21 C ATOM 117 CD2 TYR A 9 2.852 3.711 2.125 1.00 21.11 C ATOM 118 CE1 TYR A 9 2.177 1.398 3.471 1.00 73.22 C ATOM 119 CE2 TYR A 9 3.836 2.956 2.736 1.00 4.14 C ATOM 120 CZ TYR A 9 3.493 1.799 3.407 1.00 61.25 C ATOM 121 OH TYR A 9 4.470 1.042 4.012 1.00 71.21 O ATOM 0 H TYR A 9 -1.511 3.865 3.320 1.00 50.43 H new ATOM 0 HA TYR A 9 0.582 5.897 2.759 1.00 25.21 H new ATOM 0 HB2 TYR A 9 -0.347 3.489 1.137 1.00 31.22 H new ATOM 0 HB3 TYR A 9 0.865 4.646 0.624 1.00 31.22 H new ATOM 0 HD1 TYR A 9 0.167 1.839 2.915 1.00 63.21 H new ATOM 0 HD2 TYR A 9 3.126 4.614 1.600 1.00 21.11 H new ATOM 0 HE1 TYR A 9 1.911 0.493 3.997 1.00 73.22 H new ATOM 0 HE2 TYR A 9 4.868 3.270 2.689 1.00 4.14 H new ATOM 0 HH TYR A 9 5.344 1.463 3.872 1.00 71.21 H new ATOM 131 N ARG A 10 -0.781 6.857 0.659 1.00 5.32 N ATOM 132 CA ARG A 10 -1.709 7.652 -0.168 1.00 25.53 C ATOM 133 C ARG A 10 -1.587 7.298 -1.659 1.00 22.34 C ATOM 134 O ARG A 10 -0.489 7.315 -2.216 1.00 43.40 O ATOM 135 CB ARG A 10 -1.446 9.156 0.007 1.00 74.02 C ATOM 136 CG ARG A 10 -2.593 10.035 -0.497 1.00 10.54 C ATOM 137 CD ARG A 10 -2.150 11.461 -0.815 1.00 40.22 C ATOM 138 NE ARG A 10 -1.345 12.058 0.252 1.00 64.20 N ATOM 139 CZ ARG A 10 -1.773 12.972 1.082 1.00 72.23 C ATOM 140 NH1 ARG A 10 -2.998 13.387 1.034 1.00 52.03 N ATOM 141 NH2 ARG A 10 -0.961 13.475 1.960 1.00 2.41 N ATOM 0 H ARG A 10 0.206 6.988 0.437 1.00 5.32 H new ATOM 0 HA ARG A 10 -2.717 7.412 0.171 1.00 25.53 H new ATOM 0 HB2 ARG A 10 -1.273 9.367 1.062 1.00 74.02 H new ATOM 0 HB3 ARG A 10 -0.533 9.422 -0.525 1.00 74.02 H new ATOM 0 HG2 ARG A 10 -3.023 9.585 -1.392 1.00 10.54 H new ATOM 0 HG3 ARG A 10 -3.381 10.063 0.256 1.00 10.54 H new ATOM 0 HD2 ARG A 10 -1.574 11.459 -1.740 1.00 40.22 H new ATOM 0 HD3 ARG A 10 -3.031 12.080 -0.989 1.00 40.22 H new ATOM 0 HE ARG A 10 -0.382 11.738 0.355 1.00 64.20 H new ATOM 0 HH11 ARG A 10 -3.641 13.000 0.343 1.00 52.03 H new ATOM 0 HH12 ARG A 10 -3.321 14.101 1.687 1.00 52.03 H new ATOM 0 HH21 ARG A 10 0.007 13.157 2.000 1.00 2.41 H new ATOM 0 HH22 ARG A 10 -1.291 14.189 2.610 1.00 2.41 H new ATOM 155 N ALA A 11 -2.716 6.987 -2.294 1.00 13.11 N ATOM 156 CA ALA A 11 -2.758 6.763 -3.743 1.00 35.53 C ATOM 157 C ALA A 11 -2.818 8.099 -4.493 1.00 55.11 C ATOM 158 O ALA A 11 -3.775 8.860 -4.349 1.00 53.11 O ATOM 159 CB ALA A 11 -3.956 5.896 -4.112 1.00 64.04 C ATOM 0 H ALA A 11 -3.618 6.884 -1.828 1.00 13.11 H new ATOM 0 HA ALA A 11 -1.847 6.242 -4.037 1.00 35.53 H new ATOM 0 HB1 ALA A 11 -3.973 5.739 -5.190 1.00 64.04 H new ATOM 0 HB2 ALA A 11 -3.878 4.934 -3.606 1.00 64.04 H new ATOM 0 HB3 ALA A 11 -4.875 6.395 -3.803 1.00 64.04 H new ATOM 165 N LEU A 12 -1.788 8.386 -5.286 1.00 51.11 N ATOM 166 CA LEU A 12 -1.696 9.665 -5.998 1.00 62.43 C ATOM 167 C LEU A 12 -2.651 9.730 -7.205 1.00 44.03 C ATOM 168 O LEU A 12 -3.409 10.690 -7.356 1.00 61.44 O ATOM 169 CB LEU A 12 -0.248 9.902 -6.457 1.00 63.21 C ATOM 170 CG LEU A 12 0.808 9.882 -5.335 1.00 73.13 C ATOM 171 CD1 LEU A 12 2.205 10.136 -5.902 1.00 34.25 C ATOM 172 CD2 LEU A 12 0.468 10.908 -4.251 1.00 14.42 C ATOM 0 H LEU A 12 -1.005 7.754 -5.454 1.00 51.11 H new ATOM 0 HA LEU A 12 -1.997 10.450 -5.305 1.00 62.43 H new ATOM 0 HB2 LEU A 12 0.012 9.141 -7.192 1.00 63.21 H new ATOM 0 HB3 LEU A 12 -0.198 10.866 -6.964 1.00 63.21 H new ATOM 0 HG LEU A 12 0.801 8.892 -4.879 1.00 73.13 H new ATOM 0 HD11 LEU A 12 2.935 10.118 -5.093 1.00 34.25 H new ATOM 0 HD12 LEU A 12 2.449 9.361 -6.629 1.00 34.25 H new ATOM 0 HD13 LEU A 12 2.228 11.111 -6.389 1.00 34.25 H new ATOM 0 HD21 LEU A 12 1.227 10.876 -3.469 1.00 14.42 H new ATOM 0 HD22 LEU A 12 0.441 11.905 -4.690 1.00 14.42 H new ATOM 0 HD23 LEU A 12 -0.506 10.674 -3.821 1.00 14.42 H new ATOM 184 N TYR A 13 -2.611 8.707 -8.060 1.00 70.05 N ATOM 185 CA TYR A 13 -3.413 8.687 -9.295 1.00 60.34 C ATOM 186 C TYR A 13 -4.308 7.438 -9.377 1.00 64.54 C ATOM 187 O TYR A 13 -4.030 6.423 -8.738 1.00 44.32 O ATOM 188 CB TYR A 13 -2.486 8.763 -10.520 1.00 22.15 C ATOM 189 CG TYR A 13 -1.781 10.100 -10.655 1.00 50.21 C ATOM 190 CD1 TYR A 13 -2.361 11.140 -11.372 1.00 72.33 C ATOM 191 CD2 TYR A 13 -0.550 10.328 -10.049 1.00 14.51 C ATOM 192 CE1 TYR A 13 -1.734 12.366 -11.485 1.00 34.21 C ATOM 193 CE2 TYR A 13 0.083 11.551 -10.159 1.00 42.53 C ATOM 194 CZ TYR A 13 -0.514 12.566 -10.875 1.00 21.32 C ATOM 195 OH TYR A 13 0.113 13.789 -10.980 1.00 32.21 O ATOM 0 H TYR A 13 -2.032 7.878 -7.924 1.00 70.05 H new ATOM 0 HA TYR A 13 -4.070 9.557 -9.282 1.00 60.34 H new ATOM 0 HB2 TYR A 13 -1.740 7.971 -10.452 1.00 22.15 H new ATOM 0 HB3 TYR A 13 -3.070 8.575 -11.421 1.00 22.15 H new ATOM 0 HD1 TYR A 13 -3.318 10.987 -11.849 1.00 72.33 H new ATOM 0 HD2 TYR A 13 -0.081 9.536 -9.483 1.00 14.51 H new ATOM 0 HE1 TYR A 13 -2.197 13.163 -12.048 1.00 34.21 H new ATOM 0 HE2 TYR A 13 1.041 11.711 -9.686 1.00 42.53 H new ATOM 0 HH TYR A 13 0.963 13.764 -10.492 1.00 32.21 H new ATOM 205 N PRO A 14 -5.409 7.502 -10.160 1.00 60.30 N ATOM 206 CA PRO A 14 -6.334 6.369 -10.318 1.00 12.32 C ATOM 207 C PRO A 14 -5.757 5.220 -11.158 1.00 34.41 C ATOM 208 O PRO A 14 -5.274 5.426 -12.276 1.00 43.32 O ATOM 209 CB PRO A 14 -7.548 6.992 -11.017 1.00 23.33 C ATOM 210 CG PRO A 14 -7.007 8.173 -11.749 1.00 62.25 C ATOM 211 CD PRO A 14 -5.842 8.682 -10.937 1.00 11.34 C ATOM 0 HA PRO A 14 -6.562 5.909 -9.357 1.00 12.32 H new ATOM 0 HB2 PRO A 14 -8.016 6.284 -11.701 1.00 23.33 H new ATOM 0 HB3 PRO A 14 -8.309 7.289 -10.296 1.00 23.33 H new ATOM 0 HG2 PRO A 14 -6.688 7.894 -12.753 1.00 62.25 H new ATOM 0 HG3 PRO A 14 -7.770 8.944 -11.859 1.00 62.25 H new ATOM 0 HD2 PRO A 14 -5.042 9.055 -11.576 1.00 11.34 H new ATOM 0 HD3 PRO A 14 -6.138 9.503 -10.285 1.00 11.34 H new ATOM 219 N PHE A 15 -5.818 4.009 -10.611 1.00 64.22 N ATOM 220 CA PHE A 15 -5.344 2.811 -11.304 1.00 63.41 C ATOM 221 C PHE A 15 -6.448 1.749 -11.379 1.00 55.02 C ATOM 222 O PHE A 15 -7.017 1.353 -10.358 1.00 31.35 O ATOM 223 CB PHE A 15 -4.105 2.237 -10.596 1.00 41.23 C ATOM 224 CG PHE A 15 -2.941 3.197 -10.545 1.00 15.44 C ATOM 225 CD1 PHE A 15 -2.269 3.553 -11.705 1.00 12.52 C ATOM 226 CD2 PHE A 15 -2.528 3.750 -9.339 1.00 5.45 C ATOM 227 CE1 PHE A 15 -1.207 4.438 -11.663 1.00 63.24 C ATOM 228 CE2 PHE A 15 -1.468 4.634 -9.295 1.00 30.02 C ATOM 229 CZ PHE A 15 -0.808 4.980 -10.457 1.00 24.44 C ATOM 0 H PHE A 15 -6.195 3.829 -9.680 1.00 64.22 H new ATOM 0 HA PHE A 15 -5.070 3.094 -12.320 1.00 63.41 H new ATOM 0 HB2 PHE A 15 -4.376 1.953 -9.579 1.00 41.23 H new ATOM 0 HB3 PHE A 15 -3.793 1.327 -11.108 1.00 41.23 H new ATOM 0 HD1 PHE A 15 -2.578 3.135 -12.651 1.00 12.52 H new ATOM 0 HD2 PHE A 15 -3.041 3.486 -8.426 1.00 5.45 H new ATOM 0 HE1 PHE A 15 -0.690 4.705 -12.573 1.00 63.24 H new ATOM 0 HE2 PHE A 15 -1.155 5.055 -8.351 1.00 30.02 H new ATOM 0 HZ PHE A 15 0.019 5.674 -10.423 1.00 24.44 H new ATOM 367 N LEU A 23 -4.575 -3.596 -7.576 1.00 73.22 N ATOM 368 CA LEU A 23 -5.748 -3.108 -6.836 1.00 40.52 C ATOM 369 C LEU A 23 -6.268 -1.762 -7.380 1.00 23.42 C ATOM 370 O LEU A 23 -5.489 -0.864 -7.699 1.00 10.10 O ATOM 371 CB LEU A 23 -5.384 -2.978 -5.348 1.00 22.03 C ATOM 372 CG LEU A 23 -6.534 -2.593 -4.402 1.00 74.10 C ATOM 373 CD1 LEU A 23 -7.662 -3.621 -4.467 1.00 41.15 C ATOM 374 CD2 LEU A 23 -6.020 -2.443 -2.971 1.00 12.32 C ATOM 0 HA LEU A 23 -6.554 -3.831 -6.965 1.00 40.52 H new ATOM 0 HB2 LEU A 23 -4.967 -3.927 -5.012 1.00 22.03 H new ATOM 0 HB3 LEU A 23 -4.596 -2.232 -5.251 1.00 22.03 H new ATOM 0 HG LEU A 23 -6.936 -1.633 -4.726 1.00 74.10 H new ATOM 0 HD11 LEU A 23 -8.463 -3.326 -3.789 1.00 41.15 H new ATOM 0 HD12 LEU A 23 -8.049 -3.673 -5.485 1.00 41.15 H new ATOM 0 HD13 LEU A 23 -7.280 -4.599 -4.174 1.00 41.15 H new ATOM 0 HD21 LEU A 23 -6.846 -2.170 -2.314 1.00 12.32 H new ATOM 0 HD22 LEU A 23 -5.589 -3.387 -2.639 1.00 12.32 H new ATOM 0 HD23 LEU A 23 -5.258 -1.664 -2.938 1.00 12.32 H new ATOM 386 N GLU A 24 -7.596 -1.633 -7.488 1.00 51.14 N ATOM 387 CA GLU A 24 -8.233 -0.359 -7.870 1.00 13.23 C ATOM 388 C GLU A 24 -7.854 0.781 -6.906 1.00 20.02 C ATOM 389 O GLU A 24 -8.341 0.838 -5.775 1.00 33.21 O ATOM 390 CB GLU A 24 -9.769 -0.501 -7.905 1.00 4.42 C ATOM 391 CG GLU A 24 -10.345 -0.965 -9.242 1.00 72.34 C ATOM 392 CD GLU A 24 -9.926 -2.370 -9.643 1.00 70.33 C ATOM 393 OE1 GLU A 24 -10.169 -3.312 -8.858 1.00 22.40 O ATOM 394 OE2 GLU A 24 -9.377 -2.536 -10.753 1.00 20.24 O ATOM 0 H GLU A 24 -8.254 -2.394 -7.317 1.00 51.14 H new ATOM 0 HA GLU A 24 -7.866 -0.110 -8.866 1.00 13.23 H new ATOM 0 HB2 GLU A 24 -10.071 -1.207 -7.132 1.00 4.42 H new ATOM 0 HB3 GLU A 24 -10.214 0.461 -7.649 1.00 4.42 H new ATOM 0 HG2 GLU A 24 -11.433 -0.922 -9.191 1.00 72.34 H new ATOM 0 HG3 GLU A 24 -10.035 -0.268 -10.021 1.00 72.34 H new ATOM 401 N LEU A 25 -6.988 1.687 -7.357 1.00 24.02 N ATOM 402 CA LEU A 25 -6.581 2.846 -6.549 1.00 61.40 C ATOM 403 C LEU A 25 -7.215 4.145 -7.073 1.00 34.21 C ATOM 404 O LEU A 25 -7.358 4.335 -8.280 1.00 32.41 O ATOM 405 CB LEU A 25 -5.051 2.975 -6.538 1.00 43.33 C ATOM 406 CG LEU A 25 -4.293 1.741 -6.013 1.00 15.12 C ATOM 407 CD1 LEU A 25 -2.787 2.006 -5.952 1.00 44.03 C ATOM 408 CD2 LEU A 25 -4.827 1.318 -4.643 1.00 24.20 C ATOM 0 H LEU A 25 -6.552 1.645 -8.278 1.00 24.02 H new ATOM 0 HA LEU A 25 -6.935 2.684 -5.531 1.00 61.40 H new ATOM 0 HB2 LEU A 25 -4.713 3.185 -7.553 1.00 43.33 H new ATOM 0 HB3 LEU A 25 -4.779 3.836 -5.927 1.00 43.33 H new ATOM 0 HG LEU A 25 -4.461 0.921 -6.711 1.00 15.12 H new ATOM 0 HD11 LEU A 25 -2.276 1.119 -5.578 1.00 44.03 H new ATOM 0 HD12 LEU A 25 -2.419 2.243 -6.950 1.00 44.03 H new ATOM 0 HD13 LEU A 25 -2.592 2.845 -5.284 1.00 44.03 H new ATOM 0 HD21 LEU A 25 -4.277 0.445 -4.292 1.00 24.20 H new ATOM 0 HD22 LEU A 25 -4.699 2.136 -3.934 1.00 24.20 H new ATOM 0 HD23 LEU A 25 -5.885 1.071 -4.725 1.00 24.20 H new ATOM 420 N LEU A 26 -7.599 5.032 -6.154 1.00 15.05 N ATOM 421 CA LEU A 26 -8.244 6.310 -6.507 1.00 71.51 C ATOM 422 C LEU A 26 -7.363 7.514 -6.110 1.00 71.15 C ATOM 423 O LEU A 26 -6.593 7.439 -5.152 1.00 4.45 O ATOM 424 CB LEU A 26 -9.632 6.408 -5.833 1.00 22.43 C ATOM 425 CG LEU A 26 -10.790 5.695 -6.565 1.00 42.13 C ATOM 426 CD1 LEU A 26 -11.018 6.303 -7.947 1.00 21.34 C ATOM 427 CD2 LEU A 26 -10.537 4.192 -6.676 1.00 62.14 C ATOM 0 H LEU A 26 -7.476 4.893 -5.151 1.00 15.05 H new ATOM 0 HA LEU A 26 -8.372 6.337 -7.589 1.00 71.51 H new ATOM 0 HB2 LEU A 26 -9.556 5.996 -4.827 1.00 22.43 H new ATOM 0 HB3 LEU A 26 -9.889 7.462 -5.727 1.00 22.43 H new ATOM 0 HG LEU A 26 -11.693 5.841 -5.971 1.00 42.13 H new ATOM 0 HD11 LEU A 26 -11.838 5.784 -8.442 1.00 21.34 H new ATOM 0 HD12 LEU A 26 -11.267 7.359 -7.843 1.00 21.34 H new ATOM 0 HD13 LEU A 26 -10.111 6.201 -8.543 1.00 21.34 H new ATOM 0 HD21 LEU A 26 -11.371 3.720 -7.196 1.00 62.14 H new ATOM 0 HD22 LEU A 26 -9.616 4.018 -7.233 1.00 62.14 H new ATOM 0 HD23 LEU A 26 -10.443 3.764 -5.678 1.00 62.14 H new ATOM 439 N PRO A 27 -7.462 8.647 -6.841 1.00 1.12 N ATOM 440 CA PRO A 27 -6.635 9.837 -6.569 1.00 32.02 C ATOM 441 C PRO A 27 -6.969 10.494 -5.218 1.00 72.04 C ATOM 442 O PRO A 27 -8.081 10.989 -5.008 1.00 75.41 O ATOM 443 CB PRO A 27 -6.968 10.779 -7.737 1.00 42.43 C ATOM 444 CG PRO A 27 -8.322 10.353 -8.193 1.00 2.40 C ATOM 445 CD PRO A 27 -8.384 8.866 -7.972 1.00 14.55 C ATOM 0 HA PRO A 27 -5.576 9.589 -6.498 1.00 32.02 H new ATOM 0 HB2 PRO A 27 -6.967 11.821 -7.418 1.00 42.43 H new ATOM 0 HB3 PRO A 27 -6.234 10.691 -8.538 1.00 42.43 H new ATOM 0 HG2 PRO A 27 -9.102 10.864 -7.629 1.00 2.40 H new ATOM 0 HG3 PRO A 27 -8.475 10.598 -9.244 1.00 2.40 H new ATOM 0 HD2 PRO A 27 -9.396 8.537 -7.734 1.00 14.55 H new ATOM 0 HD3 PRO A 27 -8.070 8.315 -8.858 1.00 14.55 H new ATOM 453 N GLY A 28 -6.002 10.491 -4.306 1.00 1.11 N ATOM 454 CA GLY A 28 -6.226 11.027 -2.969 1.00 73.21 C ATOM 455 C GLY A 28 -6.843 10.007 -2.019 1.00 52.10 C ATOM 456 O GLY A 28 -7.461 10.376 -1.016 1.00 42.44 O ATOM 0 H GLY A 28 -5.063 10.126 -4.467 1.00 1.11 H new ATOM 0 HA2 GLY A 28 -5.278 11.373 -2.558 1.00 73.21 H new ATOM 0 HA3 GLY A 28 -6.880 11.896 -3.036 1.00 73.21 H new ATOM 460 N ASP A 29 -6.683 8.725 -2.340 1.00 25.34 N ATOM 461 CA ASP A 29 -7.182 7.637 -1.493 1.00 52.44 C ATOM 462 C ASP A 29 -6.108 7.177 -0.487 1.00 5.51 C ATOM 463 O ASP A 29 -4.919 7.455 -0.656 1.00 60.55 O ATOM 464 CB ASP A 29 -7.631 6.464 -2.377 1.00 34.53 C ATOM 465 CG ASP A 29 -8.115 5.262 -1.579 1.00 41.20 C ATOM 466 OD1 ASP A 29 -8.893 5.452 -0.619 1.00 74.35 O ATOM 467 OD2 ASP A 29 -7.733 4.129 -1.922 1.00 11.13 O ATOM 0 H ASP A 29 -6.209 8.410 -3.186 1.00 25.34 H new ATOM 0 HA ASP A 29 -8.034 8.003 -0.920 1.00 52.44 H new ATOM 0 HB2 ASP A 29 -8.431 6.800 -3.036 1.00 34.53 H new ATOM 0 HB3 ASP A 29 -6.801 6.159 -3.014 1.00 34.53 H new ATOM 472 N VAL A 30 -6.539 6.473 0.557 1.00 4.12 N ATOM 473 CA VAL A 30 -5.637 5.980 1.600 1.00 11.43 C ATOM 474 C VAL A 30 -5.573 4.441 1.604 1.00 64.15 C ATOM 475 O VAL A 30 -6.595 3.761 1.562 1.00 23.12 O ATOM 476 CB VAL A 30 -6.076 6.486 2.998 1.00 41.44 C ATOM 477 CG1 VAL A 30 -5.135 5.971 4.085 1.00 62.42 C ATOM 478 CG2 VAL A 30 -6.144 8.015 3.019 1.00 34.22 C ATOM 0 H VAL A 30 -7.518 6.228 0.705 1.00 4.12 H new ATOM 0 HA VAL A 30 -4.644 6.369 1.377 1.00 11.43 H new ATOM 0 HB VAL A 30 -7.073 6.095 3.204 1.00 41.44 H new ATOM 0 HG11 VAL A 30 -5.465 6.340 5.056 1.00 62.42 H new ATOM 0 HG12 VAL A 30 -5.145 4.881 4.088 1.00 62.42 H new ATOM 0 HG13 VAL A 30 -4.123 6.324 3.887 1.00 62.42 H new ATOM 0 HG21 VAL A 30 -6.454 8.352 4.008 1.00 34.22 H new ATOM 0 HG22 VAL A 30 -5.162 8.426 2.787 1.00 34.22 H new ATOM 0 HG23 VAL A 30 -6.865 8.357 2.277 1.00 34.22 H new ATOM 488 N LEU A 31 -4.359 3.900 1.640 1.00 13.32 N ATOM 489 CA LEU A 31 -4.153 2.448 1.662 1.00 64.42 C ATOM 490 C LEU A 31 -3.669 1.982 3.042 1.00 42.41 C ATOM 491 O LEU A 31 -2.585 2.356 3.491 1.00 63.01 O ATOM 492 CB LEU A 31 -3.141 2.029 0.582 1.00 14.03 C ATOM 493 CG LEU A 31 -3.599 2.222 -0.877 1.00 15.22 C ATOM 494 CD1 LEU A 31 -3.733 3.699 -1.233 1.00 51.01 C ATOM 495 CD2 LEU A 31 -2.639 1.526 -1.836 1.00 32.03 C ATOM 0 H LEU A 31 -3.497 4.445 1.655 1.00 13.32 H new ATOM 0 HA LEU A 31 -5.111 1.972 1.453 1.00 64.42 H new ATOM 0 HB2 LEU A 31 -2.222 2.596 0.732 1.00 14.03 H new ATOM 0 HB3 LEU A 31 -2.895 0.977 0.730 1.00 14.03 H new ATOM 0 HG LEU A 31 -4.585 1.767 -0.976 1.00 15.22 H new ATOM 0 HD11 LEU A 31 -4.058 3.796 -2.269 1.00 51.01 H new ATOM 0 HD12 LEU A 31 -4.468 4.166 -0.577 1.00 51.01 H new ATOM 0 HD13 LEU A 31 -2.769 4.192 -1.107 1.00 51.01 H new ATOM 0 HD21 LEU A 31 -2.979 1.673 -2.861 1.00 32.03 H new ATOM 0 HD22 LEU A 31 -1.640 1.947 -1.721 1.00 32.03 H new ATOM 0 HD23 LEU A 31 -2.611 0.460 -1.613 1.00 32.03 H new ATOM 507 N VAL A 32 -4.471 1.158 3.705 1.00 72.23 N ATOM 508 CA VAL A 32 -4.147 0.680 5.053 1.00 30.25 C ATOM 509 C VAL A 32 -3.415 -0.671 5.015 1.00 71.34 C ATOM 510 O VAL A 32 -4.004 -1.703 4.688 1.00 50.30 O ATOM 511 CB VAL A 32 -5.424 0.545 5.923 1.00 43.44 C ATOM 512 CG1 VAL A 32 -5.077 0.076 7.335 1.00 71.54 C ATOM 513 CG2 VAL A 32 -6.193 1.867 5.962 1.00 42.31 C ATOM 0 H VAL A 32 -5.353 0.804 3.335 1.00 72.23 H new ATOM 0 HA VAL A 32 -3.487 1.424 5.498 1.00 30.25 H new ATOM 0 HB VAL A 32 -6.066 -0.209 5.468 1.00 43.44 H new ATOM 0 HG11 VAL A 32 -5.990 -0.010 7.924 1.00 71.54 H new ATOM 0 HG12 VAL A 32 -4.584 -0.895 7.285 1.00 71.54 H new ATOM 0 HG13 VAL A 32 -4.409 0.798 7.804 1.00 71.54 H new ATOM 0 HG21 VAL A 32 -7.085 1.751 6.577 1.00 42.31 H new ATOM 0 HG22 VAL A 32 -5.558 2.645 6.386 1.00 42.31 H new ATOM 0 HG23 VAL A 32 -6.484 2.148 4.950 1.00 42.31 H new ATOM 523 N VAL A 33 -2.122 -0.652 5.336 1.00 1.31 N ATOM 524 CA VAL A 33 -1.321 -1.880 5.420 1.00 13.13 C ATOM 525 C VAL A 33 -1.039 -2.245 6.885 1.00 12.01 C ATOM 526 O VAL A 33 -0.576 -1.409 7.660 1.00 74.10 O ATOM 527 CB VAL A 33 0.023 -1.731 4.659 1.00 52.02 C ATOM 528 CG1 VAL A 33 0.847 -3.018 4.736 1.00 54.04 C ATOM 529 CG2 VAL A 33 -0.222 -1.334 3.206 1.00 35.23 C ATOM 0 H VAL A 33 -1.603 0.201 5.543 1.00 1.31 H new ATOM 0 HA VAL A 33 -1.900 -2.677 4.954 1.00 13.13 H new ATOM 0 HB VAL A 33 0.595 -0.938 5.141 1.00 52.02 H new ATOM 0 HG11 VAL A 33 1.783 -2.884 4.194 1.00 54.04 H new ATOM 0 HG12 VAL A 33 1.062 -3.251 5.779 1.00 54.04 H new ATOM 0 HG13 VAL A 33 0.284 -3.838 4.290 1.00 54.04 H new ATOM 0 HG21 VAL A 33 0.733 -1.235 2.690 1.00 35.23 H new ATOM 0 HG22 VAL A 33 -0.822 -2.101 2.715 1.00 35.23 H new ATOM 0 HG23 VAL A 33 -0.753 -0.382 3.173 1.00 35.23 H new ATOM 539 N SER A 34 -1.321 -3.488 7.264 1.00 1.01 N ATOM 540 CA SER A 34 -1.129 -3.929 8.654 1.00 64.53 C ATOM 541 C SER A 34 0.358 -4.058 9.009 1.00 44.32 C ATOM 542 O SER A 34 1.187 -4.396 8.159 1.00 42.33 O ATOM 543 CB SER A 34 -1.831 -5.275 8.897 1.00 70.44 C ATOM 544 OG SER A 34 -1.210 -6.327 8.171 1.00 12.40 O ATOM 0 H SER A 34 -1.681 -4.208 6.638 1.00 1.01 H new ATOM 0 HA SER A 34 -1.570 -3.167 9.296 1.00 64.53 H new ATOM 0 HB2 SER A 34 -1.814 -5.508 9.962 1.00 70.44 H new ATOM 0 HB3 SER A 34 -2.878 -5.198 8.604 1.00 70.44 H new ATOM 0 HG SER A 34 -1.679 -7.169 8.349 1.00 12.40 H new ATOM 550 N ARG A 35 0.701 -3.785 10.271 1.00 73.53 N ATOM 551 CA ARG A 35 2.075 -3.989 10.745 1.00 14.30 C ATOM 552 C ARG A 35 2.485 -5.464 10.570 1.00 24.21 C ATOM 553 O ARG A 35 3.637 -5.769 10.256 1.00 13.21 O ATOM 554 CB ARG A 35 2.213 -3.572 12.221 1.00 51.11 C ATOM 555 CG ARG A 35 3.579 -3.902 12.822 1.00 63.13 C ATOM 556 CD ARG A 35 3.663 -3.568 14.307 1.00 51.23 C ATOM 557 NE ARG A 35 3.809 -2.135 14.558 1.00 32.23 N ATOM 558 CZ ARG A 35 4.159 -1.635 15.715 1.00 35.24 C ATOM 559 NH1 ARG A 35 4.338 -2.407 16.737 1.00 22.45 N ATOM 560 NH2 ARG A 35 4.319 -0.361 15.854 1.00 10.10 N ATOM 0 H ARG A 35 0.057 -3.427 10.976 1.00 73.53 H new ATOM 0 HA ARG A 35 2.739 -3.363 10.148 1.00 14.30 H new ATOM 0 HB2 ARG A 35 2.037 -2.500 12.305 1.00 51.11 H new ATOM 0 HB3 ARG A 35 1.438 -4.069 12.805 1.00 51.11 H new ATOM 0 HG2 ARG A 35 3.788 -4.962 12.680 1.00 63.13 H new ATOM 0 HG3 ARG A 35 4.351 -3.350 12.285 1.00 63.13 H new ATOM 0 HD2 ARG A 35 2.765 -3.930 14.808 1.00 51.23 H new ATOM 0 HD3 ARG A 35 4.508 -4.097 14.747 1.00 51.23 H new ATOM 0 HE ARG A 35 3.628 -1.490 13.789 1.00 32.23 H new ATOM 0 HH11 ARG A 35 4.206 -3.414 16.645 1.00 22.45 H new ATOM 0 HH12 ARG A 35 4.611 -2.009 17.635 1.00 22.45 H new ATOM 0 HH21 ARG A 35 4.172 0.261 15.059 1.00 10.10 H new ATOM 0 HH22 ARG A 35 4.592 0.023 16.759 1.00 10.10 H new ATOM 574 N ALA A 36 1.517 -6.363 10.765 1.00 44.04 N ATOM 575 CA ALA A 36 1.726 -7.802 10.569 1.00 30.54 C ATOM 576 C ALA A 36 2.174 -8.112 9.134 1.00 11.21 C ATOM 577 O ALA A 36 3.086 -8.910 8.918 1.00 53.40 O ATOM 578 CB ALA A 36 0.450 -8.572 10.903 1.00 13.12 C ATOM 0 H ALA A 36 0.572 -6.118 11.061 1.00 44.04 H new ATOM 0 HA ALA A 36 2.521 -8.120 11.244 1.00 30.54 H new ATOM 0 HB1 ALA A 36 0.619 -9.638 10.753 1.00 13.12 H new ATOM 0 HB2 ALA A 36 0.177 -8.390 11.942 1.00 13.12 H new ATOM 0 HB3 ALA A 36 -0.358 -8.238 10.252 1.00 13.12 H new ATOM 584 N ALA A 37 1.533 -7.469 8.153 1.00 1.32 N ATOM 585 CA ALA A 37 1.903 -7.643 6.744 1.00 74.10 C ATOM 586 C ALA A 37 3.376 -7.280 6.498 1.00 12.52 C ATOM 587 O ALA A 37 4.115 -8.034 5.861 1.00 4.31 O ATOM 588 CB ALA A 37 0.997 -6.801 5.852 1.00 4.02 C ATOM 0 H ALA A 37 0.757 -6.825 8.307 1.00 1.32 H new ATOM 0 HA ALA A 37 1.773 -8.696 6.494 1.00 74.10 H new ATOM 0 HB1 ALA A 37 1.283 -6.940 4.809 1.00 4.02 H new ATOM 0 HB2 ALA A 37 -0.039 -7.112 5.989 1.00 4.02 H new ATOM 0 HB3 ALA A 37 1.099 -5.749 6.119 1.00 4.02 H new ATOM 594 N LEU A 38 3.800 -6.126 7.013 1.00 63.42 N ATOM 595 CA LEU A 38 5.194 -5.680 6.878 1.00 5.22 C ATOM 596 C LEU A 38 6.167 -6.660 7.558 1.00 4.34 C ATOM 597 O LEU A 38 7.201 -7.021 6.986 1.00 32.34 O ATOM 598 CB LEU A 38 5.367 -4.272 7.464 1.00 40.50 C ATOM 599 CG LEU A 38 4.536 -3.171 6.781 1.00 41.11 C ATOM 600 CD1 LEU A 38 4.790 -1.814 7.434 1.00 43.33 C ATOM 601 CD2 LEU A 38 4.843 -3.115 5.284 1.00 23.34 C ATOM 0 H LEU A 38 3.201 -5.481 7.528 1.00 63.42 H new ATOM 0 HA LEU A 38 5.431 -5.654 5.814 1.00 5.22 H new ATOM 0 HB2 LEU A 38 5.103 -4.301 8.521 1.00 40.50 H new ATOM 0 HB3 LEU A 38 6.421 -3.999 7.406 1.00 40.50 H new ATOM 0 HG LEU A 38 3.481 -3.415 6.906 1.00 41.11 H new ATOM 0 HD11 LEU A 38 4.192 -1.052 6.934 1.00 43.33 H new ATOM 0 HD12 LEU A 38 4.513 -1.860 8.487 1.00 43.33 H new ATOM 0 HD13 LEU A 38 5.847 -1.560 7.347 1.00 43.33 H new ATOM 0 HD21 LEU A 38 4.246 -2.331 4.819 1.00 23.34 H new ATOM 0 HD22 LEU A 38 5.902 -2.900 5.137 1.00 23.34 H new ATOM 0 HD23 LEU A 38 4.601 -4.074 4.827 1.00 23.34 H new ATOM 613 N GLN A 39 5.829 -7.090 8.774 1.00 52.02 N ATOM 614 CA GLN A 39 6.637 -8.081 9.499 1.00 3.42 C ATOM 615 C GLN A 39 6.722 -9.402 8.715 1.00 71.43 C ATOM 616 O GLN A 39 7.766 -10.054 8.687 1.00 34.13 O ATOM 617 CB GLN A 39 6.051 -8.333 10.900 1.00 52.22 C ATOM 618 CG GLN A 39 6.104 -7.118 11.826 1.00 2.11 C ATOM 619 CD GLN A 39 7.524 -6.688 12.173 1.00 20.15 C ATOM 620 OE1 GLN A 39 8.440 -7.504 12.234 1.00 25.04 O ATOM 621 NE2 GLN A 39 7.717 -5.406 12.412 1.00 2.42 N ATOM 0 H GLN A 39 5.003 -6.770 9.280 1.00 52.02 H new ATOM 0 HA GLN A 39 7.645 -7.680 9.606 1.00 3.42 H new ATOM 0 HB2 GLN A 39 5.014 -8.653 10.796 1.00 52.22 H new ATOM 0 HB3 GLN A 39 6.593 -9.156 11.366 1.00 52.22 H new ATOM 0 HG2 GLN A 39 5.585 -6.285 11.352 1.00 2.11 H new ATOM 0 HG3 GLN A 39 5.566 -7.347 12.746 1.00 2.11 H new ATOM 0 HE21 GLN A 39 6.936 -4.753 12.353 1.00 2.42 H new ATOM 0 HE22 GLN A 39 8.648 -5.067 12.656 1.00 2.42 H new ATOM 630 N ALA A 40 5.619 -9.783 8.072 1.00 72.50 N ATOM 631 CA ALA A 40 5.580 -10.985 7.229 1.00 51.54 C ATOM 632 C ALA A 40 6.465 -10.824 5.980 1.00 64.11 C ATOM 633 O ALA A 40 7.163 -11.755 5.575 1.00 54.21 O ATOM 634 CB ALA A 40 4.141 -11.299 6.829 1.00 64.20 C ATOM 0 H ALA A 40 4.735 -9.276 8.117 1.00 72.50 H new ATOM 0 HA ALA A 40 5.976 -11.818 7.809 1.00 51.54 H new ATOM 0 HB1 ALA A 40 4.124 -12.192 6.204 1.00 64.20 H new ATOM 0 HB2 ALA A 40 3.544 -11.471 7.724 1.00 64.20 H new ATOM 0 HB3 ALA A 40 3.726 -10.459 6.272 1.00 64.20 H new ATOM 640 N LEU A 41 6.435 -9.633 5.379 1.00 11.44 N ATOM 641 CA LEU A 41 7.308 -9.309 4.239 1.00 11.33 C ATOM 642 C LEU A 41 8.787 -9.261 4.664 1.00 5.54 C ATOM 643 O LEU A 41 9.690 -9.367 3.832 1.00 73.43 O ATOM 644 CB LEU A 41 6.913 -7.951 3.632 1.00 73.54 C ATOM 645 CG LEU A 41 5.487 -7.856 3.060 1.00 14.54 C ATOM 646 CD1 LEU A 41 5.170 -6.423 2.639 1.00 72.13 C ATOM 647 CD2 LEU A 41 5.310 -8.814 1.882 1.00 40.35 C ATOM 0 H LEU A 41 5.816 -8.873 5.660 1.00 11.44 H new ATOM 0 HA LEU A 41 7.182 -10.095 3.495 1.00 11.33 H new ATOM 0 HB2 LEU A 41 7.027 -7.186 4.400 1.00 73.54 H new ATOM 0 HB3 LEU A 41 7.619 -7.712 2.836 1.00 73.54 H new ATOM 0 HG LEU A 41 4.787 -8.146 3.843 1.00 14.54 H new ATOM 0 HD11 LEU A 41 4.158 -6.377 2.237 1.00 72.13 H new ATOM 0 HD12 LEU A 41 5.247 -5.764 3.504 1.00 72.13 H new ATOM 0 HD13 LEU A 41 5.878 -6.103 1.875 1.00 72.13 H new ATOM 0 HD21 LEU A 41 4.295 -8.730 1.494 1.00 40.35 H new ATOM 0 HD22 LEU A 41 6.021 -8.560 1.096 1.00 40.35 H new ATOM 0 HD23 LEU A 41 5.487 -9.837 2.215 1.00 40.35 H new ATOM 659 N GLY A 42 9.022 -9.093 5.964 1.00 71.14 N ATOM 660 CA GLY A 42 10.381 -8.981 6.481 1.00 22.11 C ATOM 661 C GLY A 42 10.927 -7.559 6.405 1.00 25.33 C ATOM 662 O GLY A 42 12.143 -7.348 6.413 1.00 32.20 O ATOM 0 H GLY A 42 8.292 -9.032 6.674 1.00 71.14 H new ATOM 0 HA2 GLY A 42 10.399 -9.317 7.518 1.00 22.11 H new ATOM 0 HA3 GLY A 42 11.035 -9.647 5.918 1.00 22.11 H new ATOM 666 N VAL A 43 10.025 -6.582 6.336 1.00 2.41 N ATOM 667 CA VAL A 43 10.413 -5.172 6.275 1.00 1.23 C ATOM 668 C VAL A 43 11.036 -4.717 7.602 1.00 13.25 C ATOM 669 O VAL A 43 10.337 -4.519 8.597 1.00 70.02 O ATOM 670 CB VAL A 43 9.204 -4.263 5.930 1.00 14.12 C ATOM 671 CG1 VAL A 43 9.628 -2.796 5.842 1.00 0.23 C ATOM 672 CG2 VAL A 43 8.541 -4.717 4.627 1.00 40.30 C ATOM 0 H VAL A 43 9.017 -6.740 6.321 1.00 2.41 H new ATOM 0 HA VAL A 43 11.154 -5.078 5.481 1.00 1.23 H new ATOM 0 HB VAL A 43 8.474 -4.353 6.734 1.00 14.12 H new ATOM 0 HG11 VAL A 43 8.762 -2.181 5.599 1.00 0.23 H new ATOM 0 HG12 VAL A 43 10.041 -2.479 6.799 1.00 0.23 H new ATOM 0 HG13 VAL A 43 10.384 -2.682 5.065 1.00 0.23 H new ATOM 0 HG21 VAL A 43 7.696 -4.067 4.403 1.00 40.30 H new ATOM 0 HG22 VAL A 43 9.264 -4.665 3.813 1.00 40.30 H new ATOM 0 HG23 VAL A 43 8.190 -5.743 4.736 1.00 40.30 H new ATOM 682 N ALA A 44 12.358 -4.575 7.608 1.00 50.14 N ATOM 683 CA ALA A 44 13.093 -4.171 8.808 1.00 44.22 C ATOM 684 C ALA A 44 12.784 -2.726 9.218 1.00 71.31 C ATOM 685 O ALA A 44 12.541 -1.861 8.370 1.00 23.25 O ATOM 686 CB ALA A 44 14.588 -4.346 8.580 1.00 25.01 C ATOM 0 H ALA A 44 12.948 -4.734 6.791 1.00 50.14 H new ATOM 0 HA ALA A 44 12.768 -4.814 9.626 1.00 44.22 H new ATOM 0 HB1 ALA A 44 15.130 -4.044 9.476 1.00 25.01 H new ATOM 0 HB2 ALA A 44 14.803 -5.392 8.361 1.00 25.01 H new ATOM 0 HB3 ALA A 44 14.903 -3.727 7.739 1.00 25.01 H new ATOM 692 N GLU A 45 12.801 -2.472 10.526 1.00 24.04 N ATOM 693 CA GLU A 45 12.552 -1.132 11.061 1.00 2.12 C ATOM 694 C GLU A 45 13.542 -0.110 10.472 1.00 42.13 C ATOM 695 O GLU A 45 14.719 -0.073 10.844 1.00 32.31 O ATOM 696 CB GLU A 45 12.634 -1.152 12.595 1.00 31.00 C ATOM 697 CG GLU A 45 11.593 -2.065 13.240 1.00 44.33 C ATOM 698 CD GLU A 45 11.642 -2.046 14.761 1.00 0.23 C ATOM 699 OE1 GLU A 45 11.354 -0.984 15.353 1.00 32.15 O ATOM 700 OE2 GLU A 45 11.942 -3.099 15.372 1.00 42.33 O ATOM 0 H GLU A 45 12.985 -3.179 11.238 1.00 24.04 H new ATOM 0 HA GLU A 45 11.547 -0.825 10.770 1.00 2.12 H new ATOM 0 HB2 GLU A 45 13.630 -1.478 12.895 1.00 31.00 H new ATOM 0 HB3 GLU A 45 12.503 -0.138 12.973 1.00 31.00 H new ATOM 0 HG2 GLU A 45 10.599 -1.762 12.911 1.00 44.33 H new ATOM 0 HG3 GLU A 45 11.747 -3.086 12.890 1.00 44.33 H new ATOM 707 N GLY A 46 13.050 0.707 9.545 1.00 64.15 N ATOM 708 CA GLY A 46 13.906 1.631 8.808 1.00 1.31 C ATOM 709 C GLY A 46 13.589 1.651 7.313 1.00 1.31 C ATOM 710 O GLY A 46 13.961 2.587 6.599 1.00 43.14 O ATOM 0 H GLY A 46 12.064 0.748 9.287 1.00 64.15 H new ATOM 0 HA2 GLY A 46 13.788 2.635 9.215 1.00 1.31 H new ATOM 0 HA3 GLY A 46 14.949 1.349 8.952 1.00 1.31 H new ATOM 714 N GLY A 47 12.906 0.606 6.840 1.00 12.01 N ATOM 715 CA GLY A 47 12.537 0.514 5.427 1.00 21.44 C ATOM 716 C GLY A 47 11.082 0.887 5.143 1.00 22.31 C ATOM 717 O GLY A 47 10.704 1.081 3.986 1.00 73.24 O ATOM 0 H GLY A 47 12.600 -0.182 7.410 1.00 12.01 H new ATOM 0 HA2 GLY A 47 13.189 1.167 4.848 1.00 21.44 H new ATOM 0 HA3 GLY A 47 12.716 -0.504 5.080 1.00 21.44 H new ATOM 721 N GLU A 48 10.264 0.995 6.194 1.00 64.23 N ATOM 722 CA GLU A 48 8.834 1.322 6.043 1.00 72.23 C ATOM 723 C GLU A 48 8.641 2.726 5.440 1.00 41.24 C ATOM 724 O GLU A 48 7.642 3.008 4.777 1.00 74.10 O ATOM 725 CB GLU A 48 8.105 1.223 7.400 1.00 45.23 C ATOM 726 CG GLU A 48 8.475 2.308 8.418 1.00 54.43 C ATOM 727 CD GLU A 48 9.936 2.269 8.843 1.00 33.41 C ATOM 728 OE1 GLU A 48 10.279 1.484 9.751 1.00 51.43 O ATOM 729 OE2 GLU A 48 10.750 3.016 8.268 1.00 55.30 O ATOM 0 H GLU A 48 10.563 0.862 7.160 1.00 64.23 H new ATOM 0 HA GLU A 48 8.401 0.594 5.357 1.00 72.23 H new ATOM 0 HB2 GLU A 48 7.031 1.265 7.222 1.00 45.23 H new ATOM 0 HB3 GLU A 48 8.317 0.248 7.838 1.00 45.23 H new ATOM 0 HG2 GLU A 48 8.255 3.286 7.990 1.00 54.43 H new ATOM 0 HG3 GLU A 48 7.845 2.197 9.301 1.00 54.43 H new ATOM 736 N ARG A 49 9.616 3.599 5.674 1.00 52.02 N ATOM 737 CA ARG A 49 9.616 4.953 5.108 1.00 62.44 C ATOM 738 C ARG A 49 10.100 4.969 3.645 1.00 10.11 C ATOM 739 O ARG A 49 10.324 6.034 3.064 1.00 33.54 O ATOM 740 CB ARG A 49 10.495 5.860 5.977 1.00 73.24 C ATOM 741 CG ARG A 49 9.877 6.185 7.337 1.00 42.32 C ATOM 742 CD ARG A 49 10.912 6.723 8.318 1.00 71.14 C ATOM 743 NE ARG A 49 11.799 5.668 8.808 1.00 3.53 N ATOM 744 CZ ARG A 49 13.101 5.706 8.753 1.00 55.12 C ATOM 745 NH1 ARG A 49 13.713 6.660 8.130 1.00 34.51 N ATOM 746 NH2 ARG A 49 13.791 4.767 9.306 1.00 74.13 N ATOM 0 H ARG A 49 10.427 3.394 6.258 1.00 52.02 H new ATOM 0 HA ARG A 49 8.591 5.323 5.104 1.00 62.44 H new ATOM 0 HB2 ARG A 49 11.460 5.378 6.131 1.00 73.24 H new ATOM 0 HB3 ARG A 49 10.685 6.790 5.441 1.00 73.24 H new ATOM 0 HG2 ARG A 49 9.082 6.920 7.208 1.00 42.32 H new ATOM 0 HG3 ARG A 49 9.417 5.287 7.751 1.00 42.32 H new ATOM 0 HD2 ARG A 49 11.504 7.499 7.832 1.00 71.14 H new ATOM 0 HD3 ARG A 49 10.404 7.191 9.161 1.00 71.14 H new ATOM 0 HE ARG A 49 11.367 4.842 9.223 1.00 3.53 H new ATOM 0 HH11 ARG A 49 13.176 7.397 7.673 1.00 34.51 H new ATOM 0 HH12 ARG A 49 14.732 6.675 8.096 1.00 34.51 H new ATOM 0 HH21 ARG A 49 13.318 4.000 9.783 1.00 74.13 H new ATOM 0 HH22 ARG A 49 14.810 4.792 9.266 1.00 74.13 H new ATOM 760 N CYS A 50 10.260 3.785 3.053 1.00 53.33 N ATOM 761 CA CYS A 50 10.653 3.662 1.642 1.00 1.02 C ATOM 762 C CYS A 50 9.854 2.550 0.939 1.00 14.35 C ATOM 763 O CYS A 50 10.374 1.462 0.669 1.00 52.20 O ATOM 764 CB CYS A 50 12.158 3.385 1.525 1.00 52.24 C ATOM 765 SG CYS A 50 12.743 3.201 -0.175 1.00 62.30 S ATOM 0 H CYS A 50 10.124 2.892 3.528 1.00 53.33 H new ATOM 0 HA CYS A 50 10.429 4.608 1.149 1.00 1.02 H new ATOM 0 HB2 CYS A 50 12.705 4.200 2.000 1.00 52.24 H new ATOM 0 HB3 CYS A 50 12.394 2.477 2.080 1.00 52.24 H new ATOM 0 HG CYS A 50 13.655 4.095 -0.419 1.00 62.30 H new ATOM 771 N PRO A 51 8.568 2.813 0.622 1.00 43.44 N ATOM 772 CA PRO A 51 7.669 1.801 0.037 1.00 50.32 C ATOM 773 C PRO A 51 8.138 1.299 -1.339 1.00 24.31 C ATOM 774 O PRO A 51 7.960 0.127 -1.676 1.00 20.21 O ATOM 775 CB PRO A 51 6.322 2.536 -0.080 1.00 63.10 C ATOM 776 CG PRO A 51 6.672 3.987 -0.071 1.00 74.50 C ATOM 777 CD PRO A 51 7.890 4.111 0.807 1.00 4.24 C ATOM 0 HA PRO A 51 7.627 0.903 0.653 1.00 50.32 H new ATOM 0 HB2 PRO A 51 5.801 2.261 -0.997 1.00 63.10 H new ATOM 0 HB3 PRO A 51 5.661 2.284 0.750 1.00 63.10 H new ATOM 0 HG2 PRO A 51 6.879 4.345 -1.079 1.00 74.50 H new ATOM 0 HG3 PRO A 51 5.848 4.585 0.317 1.00 74.50 H new ATOM 0 HD2 PRO A 51 8.524 4.944 0.502 1.00 4.24 H new ATOM 0 HD3 PRO A 51 7.620 4.280 1.849 1.00 4.24 H new ATOM 785 N GLN A 52 8.746 2.183 -2.129 1.00 32.40 N ATOM 786 CA GLN A 52 9.213 1.817 -3.474 1.00 62.25 C ATOM 787 C GLN A 52 10.334 0.762 -3.429 1.00 51.31 C ATOM 788 O GLN A 52 10.467 -0.055 -4.344 1.00 24.21 O ATOM 789 CB GLN A 52 9.646 3.073 -4.262 1.00 72.53 C ATOM 790 CG GLN A 52 10.718 3.937 -3.587 1.00 24.51 C ATOM 791 CD GLN A 52 12.136 3.408 -3.762 1.00 73.12 C ATOM 792 OE1 GLN A 52 12.450 2.740 -4.741 1.00 34.43 O ATOM 793 NE2 GLN A 52 13.008 3.723 -2.830 1.00 12.24 N ATOM 0 H GLN A 52 8.928 3.152 -1.867 1.00 32.40 H new ATOM 0 HA GLN A 52 8.375 1.360 -4.000 1.00 62.25 H new ATOM 0 HB2 GLN A 52 10.018 2.759 -5.237 1.00 72.53 H new ATOM 0 HB3 GLN A 52 8.766 3.690 -4.441 1.00 72.53 H new ATOM 0 HG2 GLN A 52 10.665 4.947 -3.992 1.00 24.51 H new ATOM 0 HG3 GLN A 52 10.496 4.009 -2.522 1.00 24.51 H new ATOM 0 HE21 GLN A 52 12.717 4.280 -2.027 1.00 12.24 H new ATOM 0 HE22 GLN A 52 13.976 3.410 -2.910 1.00 12.24 H new ATOM 802 N SER A 53 11.123 0.764 -2.351 1.00 2.24 N ATOM 803 CA SER A 53 12.187 -0.238 -2.170 1.00 34.50 C ATOM 804 C SER A 53 11.591 -1.598 -1.789 1.00 74.43 C ATOM 805 O SER A 53 12.067 -2.645 -2.236 1.00 61.01 O ATOM 806 CB SER A 53 13.184 0.213 -1.091 1.00 54.55 C ATOM 807 OG SER A 53 14.274 -0.694 -0.978 1.00 5.24 O ATOM 0 H SER A 53 11.049 1.442 -1.593 1.00 2.24 H new ATOM 0 HA SER A 53 12.716 -0.337 -3.118 1.00 34.50 H new ATOM 0 HB2 SER A 53 13.560 1.207 -1.334 1.00 54.55 H new ATOM 0 HB3 SER A 53 12.673 0.291 -0.131 1.00 54.55 H new ATOM 0 HG SER A 53 14.891 -0.379 -0.285 1.00 5.24 H new ATOM 813 N VAL A 54 10.538 -1.575 -0.969 1.00 64.54 N ATOM 814 CA VAL A 54 9.850 -2.806 -0.559 1.00 33.23 C ATOM 815 C VAL A 54 9.140 -3.473 -1.753 1.00 42.43 C ATOM 816 O VAL A 54 9.148 -4.697 -1.891 1.00 5.02 O ATOM 817 CB VAL A 54 8.816 -2.529 0.563 1.00 35.44 C ATOM 818 CG1 VAL A 54 8.155 -3.825 1.036 1.00 53.13 C ATOM 819 CG2 VAL A 54 9.471 -1.796 1.733 1.00 5.21 C ATOM 0 H VAL A 54 10.142 -0.721 -0.576 1.00 64.54 H new ATOM 0 HA VAL A 54 10.614 -3.483 -0.176 1.00 33.23 H new ATOM 0 HB VAL A 54 8.037 -1.888 0.150 1.00 35.44 H new ATOM 0 HG11 VAL A 54 7.435 -3.600 1.823 1.00 53.13 H new ATOM 0 HG12 VAL A 54 7.642 -4.298 0.199 1.00 53.13 H new ATOM 0 HG13 VAL A 54 8.917 -4.501 1.424 1.00 53.13 H new ATOM 0 HG21 VAL A 54 8.728 -1.612 2.509 1.00 5.21 H new ATOM 0 HG22 VAL A 54 10.277 -2.407 2.140 1.00 5.21 H new ATOM 0 HG23 VAL A 54 9.876 -0.846 1.386 1.00 5.21 H new ATOM 829 N GLY A 55 8.522 -2.659 -2.611 1.00 75.22 N ATOM 830 CA GLY A 55 7.890 -3.176 -3.825 1.00 13.14 C ATOM 831 C GLY A 55 6.397 -3.448 -3.664 1.00 1.42 C ATOM 832 O GLY A 55 5.656 -2.608 -3.154 1.00 43.23 O ATOM 0 H GLY A 55 8.446 -1.649 -2.489 1.00 75.22 H new ATOM 0 HA2 GLY A 55 8.036 -2.461 -4.634 1.00 13.14 H new ATOM 0 HA3 GLY A 55 8.390 -4.098 -4.121 1.00 13.14 H new ATOM 836 N TRP A 56 5.951 -4.619 -4.120 1.00 2.04 N ATOM 837 CA TRP A 56 4.540 -5.011 -4.021 1.00 34.15 C ATOM 838 C TRP A 56 4.158 -5.366 -2.573 1.00 51.32 C ATOM 839 O TRP A 56 4.691 -6.313 -1.989 1.00 64.21 O ATOM 840 CB TRP A 56 4.250 -6.202 -4.949 1.00 62.22 C ATOM 841 CG TRP A 56 4.216 -5.851 -6.410 1.00 74.40 C ATOM 842 CD1 TRP A 56 5.268 -5.470 -7.195 1.00 21.32 C ATOM 843 CD2 TRP A 56 3.061 -5.857 -7.263 1.00 34.32 C ATOM 844 NE1 TRP A 56 4.837 -5.234 -8.479 1.00 54.24 N ATOM 845 CE2 TRP A 56 3.486 -5.470 -8.547 1.00 44.11 C ATOM 846 CE3 TRP A 56 1.710 -6.157 -7.063 1.00 5.43 C ATOM 847 CZ2 TRP A 56 2.608 -5.369 -9.624 1.00 45.40 C ATOM 848 CZ3 TRP A 56 0.839 -6.061 -8.132 1.00 43.23 C ATOM 849 CH2 TRP A 56 1.291 -5.669 -9.399 1.00 21.10 C ATOM 0 H TRP A 56 6.548 -5.317 -4.564 1.00 2.04 H new ATOM 0 HA TRP A 56 3.935 -4.159 -4.332 1.00 34.15 H new ATOM 0 HB2 TRP A 56 5.010 -6.967 -4.788 1.00 62.22 H new ATOM 0 HB3 TRP A 56 3.292 -6.641 -4.670 1.00 62.22 H new ATOM 0 HD1 TRP A 56 6.289 -5.369 -6.856 1.00 21.32 H new ATOM 0 HE1 TRP A 56 5.426 -4.932 -9.256 1.00 54.24 H new ATOM 0 HE3 TRP A 56 1.353 -6.459 -6.089 1.00 5.43 H new ATOM 0 HZ2 TRP A 56 2.954 -5.065 -10.601 1.00 45.40 H new ATOM 0 HZ3 TRP A 56 -0.206 -6.292 -7.988 1.00 43.23 H new ATOM 0 HH2 TRP A 56 0.586 -5.602 -10.215 1.00 21.10 H new ATOM 860 N MET A 57 3.237 -4.595 -2.000 1.00 42.21 N ATOM 861 CA MET A 57 2.772 -4.821 -0.625 1.00 50.04 C ATOM 862 C MET A 57 1.252 -5.067 -0.578 1.00 2.54 C ATOM 863 O MET A 57 0.489 -4.424 -1.299 1.00 34.43 O ATOM 864 CB MET A 57 3.123 -3.612 0.256 1.00 23.20 C ATOM 865 CG MET A 57 4.609 -3.279 0.288 1.00 25.12 C ATOM 866 SD MET A 57 4.977 -1.853 1.330 1.00 42.11 S ATOM 867 CE MET A 57 4.066 -0.565 0.478 1.00 71.23 C ATOM 0 H MET A 57 2.793 -3.803 -2.466 1.00 42.21 H new ATOM 0 HA MET A 57 3.275 -5.711 -0.247 1.00 50.04 H new ATOM 0 HB2 MET A 57 2.574 -2.742 -0.104 1.00 23.20 H new ATOM 0 HB3 MET A 57 2.783 -3.806 1.273 1.00 23.20 H new ATOM 0 HG2 MET A 57 5.164 -4.144 0.652 1.00 25.12 H new ATOM 0 HG3 MET A 57 4.956 -3.082 -0.727 1.00 25.12 H new ATOM 0 HE1 MET A 57 4.436 0.411 0.792 1.00 71.23 H new ATOM 0 HE2 MET A 57 4.201 -0.675 -0.598 1.00 71.23 H new ATOM 0 HE3 MET A 57 3.007 -0.647 0.721 1.00 71.23 H new ATOM 877 N PRO A 58 0.792 -6.008 0.270 1.00 13.21 N ATOM 878 CA PRO A 58 -0.646 -6.264 0.466 1.00 53.53 C ATOM 879 C PRO A 58 -1.313 -5.228 1.395 1.00 35.42 C ATOM 880 O PRO A 58 -0.918 -5.071 2.554 1.00 52.12 O ATOM 881 CB PRO A 58 -0.655 -7.660 1.105 1.00 41.40 C ATOM 882 CG PRO A 58 0.627 -7.728 1.868 1.00 23.23 C ATOM 883 CD PRO A 58 1.630 -6.915 1.084 1.00 44.30 C ATOM 0 HA PRO A 58 -1.211 -6.197 -0.464 1.00 53.53 H new ATOM 0 HB2 PRO A 58 -1.515 -7.791 1.761 1.00 41.40 H new ATOM 0 HB3 PRO A 58 -0.709 -8.443 0.349 1.00 41.40 H new ATOM 0 HG2 PRO A 58 0.503 -7.327 2.874 1.00 23.23 H new ATOM 0 HG3 PRO A 58 0.962 -8.760 1.975 1.00 23.23 H new ATOM 0 HD2 PRO A 58 2.297 -6.359 1.743 1.00 44.30 H new ATOM 0 HD3 PRO A 58 2.257 -7.550 0.458 1.00 44.30 H new ATOM 891 N GLY A 59 -2.326 -4.524 0.888 1.00 42.21 N ATOM 892 CA GLY A 59 -3.001 -3.502 1.689 1.00 2.21 C ATOM 893 C GLY A 59 -4.496 -3.367 1.393 1.00 71.41 C ATOM 894 O GLY A 59 -5.009 -3.941 0.430 1.00 64.03 O ATOM 0 H GLY A 59 -2.692 -4.639 -0.057 1.00 42.21 H new ATOM 0 HA2 GLY A 59 -2.870 -3.737 2.745 1.00 2.21 H new ATOM 0 HA3 GLY A 59 -2.518 -2.541 1.514 1.00 2.21 H new ATOM 898 N LEU A 60 -5.187 -2.598 2.233 1.00 52.04 N ATOM 899 CA LEU A 60 -6.629 -2.358 2.089 1.00 64.45 C ATOM 900 C LEU A 60 -6.912 -1.023 1.379 1.00 71.25 C ATOM 901 O LEU A 60 -6.341 0.010 1.731 1.00 55.34 O ATOM 902 CB LEU A 60 -7.292 -2.351 3.475 1.00 44.33 C ATOM 903 CG LEU A 60 -8.803 -2.056 3.487 1.00 34.43 C ATOM 904 CD1 LEU A 60 -9.576 -3.146 2.753 1.00 34.32 C ATOM 905 CD2 LEU A 60 -9.312 -1.902 4.920 1.00 2.34 C ATOM 0 H LEU A 60 -4.768 -2.123 3.032 1.00 52.04 H new ATOM 0 HA LEU A 60 -7.044 -3.161 1.479 1.00 64.45 H new ATOM 0 HB2 LEU A 60 -7.126 -3.321 3.943 1.00 44.33 H new ATOM 0 HB3 LEU A 60 -6.790 -1.608 4.095 1.00 44.33 H new ATOM 0 HG LEU A 60 -8.968 -1.114 2.963 1.00 34.43 H new ATOM 0 HD11 LEU A 60 -10.641 -2.915 2.775 1.00 34.32 H new ATOM 0 HD12 LEU A 60 -9.238 -3.198 1.718 1.00 34.32 H new ATOM 0 HD13 LEU A 60 -9.403 -4.106 3.240 1.00 34.32 H new ATOM 0 HD21 LEU A 60 -10.382 -1.694 4.906 1.00 2.34 H new ATOM 0 HD22 LEU A 60 -9.129 -2.824 5.472 1.00 2.34 H new ATOM 0 HD23 LEU A 60 -8.789 -1.078 5.405 1.00 2.34 H new ATOM 917 N ASN A 61 -7.799 -1.055 0.385 1.00 60.20 N ATOM 918 CA ASN A 61 -8.238 0.159 -0.317 1.00 72.21 C ATOM 919 C ASN A 61 -9.451 0.791 0.394 1.00 5.14 C ATOM 920 O ASN A 61 -10.521 0.186 0.459 1.00 13.34 O ATOM 921 CB ASN A 61 -8.591 -0.196 -1.768 1.00 34.21 C ATOM 922 CG ASN A 61 -9.121 0.988 -2.549 1.00 33.32 C ATOM 923 OD1 ASN A 61 -10.324 1.210 -2.621 1.00 50.01 O ATOM 924 ND2 ASN A 61 -8.236 1.762 -3.131 1.00 42.21 N ATOM 0 H ASN A 61 -8.232 -1.913 0.043 1.00 60.20 H new ATOM 0 HA ASN A 61 -7.428 0.889 -0.310 1.00 72.21 H new ATOM 0 HB2 ASN A 61 -7.705 -0.588 -2.267 1.00 34.21 H new ATOM 0 HB3 ASN A 61 -9.337 -0.991 -1.772 1.00 34.21 H new ATOM 0 HD21 ASN A 61 -8.542 2.577 -3.663 1.00 42.21 H new ATOM 0 HD22 ASN A 61 -7.242 1.549 -3.052 1.00 42.21 H new ATOM 931 N GLU A 62 -9.291 2.010 0.914 1.00 51.22 N ATOM 932 CA GLU A 62 -10.352 2.666 1.700 1.00 24.34 C ATOM 933 C GLU A 62 -11.600 3.011 0.863 1.00 71.35 C ATOM 934 O GLU A 62 -12.676 3.228 1.420 1.00 52.53 O ATOM 935 CB GLU A 62 -9.810 3.931 2.386 1.00 52.12 C ATOM 936 CG GLU A 62 -8.830 3.655 3.528 1.00 73.45 C ATOM 937 CD GLU A 62 -9.487 3.036 4.755 1.00 15.42 C ATOM 938 OE1 GLU A 62 -9.657 1.798 4.795 1.00 53.51 O ATOM 939 OE2 GLU A 62 -9.832 3.785 5.694 1.00 24.44 O ATOM 0 H GLU A 62 -8.442 2.566 0.809 1.00 51.22 H new ATOM 0 HA GLU A 62 -10.667 1.945 2.455 1.00 24.34 H new ATOM 0 HB2 GLU A 62 -9.315 4.552 1.639 1.00 52.12 H new ATOM 0 HB3 GLU A 62 -10.649 4.508 2.774 1.00 52.12 H new ATOM 0 HG2 GLU A 62 -8.046 2.988 3.170 1.00 73.45 H new ATOM 0 HG3 GLU A 62 -8.347 4.589 3.816 1.00 73.45 H new ATOM 946 N ARG A 63 -11.469 3.072 -0.463 1.00 23.52 N ATOM 947 CA ARG A 63 -12.631 3.348 -1.325 1.00 60.02 C ATOM 948 C ARG A 63 -13.568 2.133 -1.415 1.00 42.41 C ATOM 949 O ARG A 63 -14.718 2.176 -0.973 1.00 62.33 O ATOM 950 CB ARG A 63 -12.196 3.750 -2.746 1.00 54.12 C ATOM 951 CG ARG A 63 -11.299 4.985 -2.833 1.00 64.02 C ATOM 952 CD ARG A 63 -11.875 6.191 -2.094 1.00 1.11 C ATOM 953 NE ARG A 63 -11.610 6.128 -0.657 1.00 13.04 N ATOM 954 CZ ARG A 63 -12.454 6.467 0.277 1.00 65.14 C ATOM 955 NH1 ARG A 63 -13.662 6.833 -0.011 1.00 72.52 N ATOM 956 NH2 ARG A 63 -12.089 6.416 1.513 1.00 21.41 N ATOM 0 H ARG A 63 -10.589 2.938 -0.961 1.00 23.52 H new ATOM 0 HA ARG A 63 -13.166 4.179 -0.866 1.00 60.02 H new ATOM 0 HB2 ARG A 63 -11.672 2.908 -3.199 1.00 54.12 H new ATOM 0 HB3 ARG A 63 -13.089 3.928 -3.344 1.00 54.12 H new ATOM 0 HG2 ARG A 63 -10.319 4.746 -2.420 1.00 64.02 H new ATOM 0 HG3 ARG A 63 -11.148 5.245 -3.881 1.00 64.02 H new ATOM 0 HD2 ARG A 63 -11.446 7.106 -2.502 1.00 1.11 H new ATOM 0 HD3 ARG A 63 -12.951 6.240 -2.263 1.00 1.11 H new ATOM 0 HE ARG A 63 -10.693 5.793 -0.362 1.00 13.04 H new ATOM 0 HH11 ARG A 63 -13.969 6.860 -0.983 1.00 72.52 H new ATOM 0 HH12 ARG A 63 -14.307 7.094 0.735 1.00 72.52 H new ATOM 0 HH21 ARG A 63 -11.146 6.112 1.754 1.00 21.41 H new ATOM 0 HH22 ARG A 63 -12.744 6.680 2.249 1.00 21.41 H new ATOM 970 N THR A 64 -13.060 1.047 -1.989 1.00 2.31 N ATOM 971 CA THR A 64 -13.864 -0.152 -2.265 1.00 71.11 C ATOM 972 C THR A 64 -13.869 -1.136 -1.089 1.00 34.20 C ATOM 973 O THR A 64 -14.773 -1.964 -0.977 1.00 30.33 O ATOM 974 CB THR A 64 -13.334 -0.895 -3.514 1.00 33.24 C ATOM 975 OG1 THR A 64 -11.981 -1.329 -3.285 1.00 51.04 O ATOM 976 CG2 THR A 64 -13.386 0.003 -4.749 1.00 72.41 C ATOM 0 H THR A 64 -12.085 0.967 -2.277 1.00 2.31 H new ATOM 0 HA THR A 64 -14.882 0.200 -2.434 1.00 71.11 H new ATOM 0 HB THR A 64 -13.971 -1.761 -3.693 1.00 33.24 H new ATOM 0 HG1 THR A 64 -11.394 -0.547 -3.215 1.00 51.04 H new ATOM 0 HG21 THR A 64 -13.008 -0.544 -5.613 1.00 72.41 H new ATOM 0 HG22 THR A 64 -14.416 0.307 -4.935 1.00 72.41 H new ATOM 0 HG23 THR A 64 -12.771 0.887 -4.582 1.00 72.41 H new ATOM 984 N ARG A 65 -12.861 -1.028 -0.219 1.00 74.44 N ATOM 985 CA ARG A 65 -12.652 -1.972 0.894 1.00 52.14 C ATOM 986 C ARG A 65 -12.187 -3.348 0.396 1.00 42.32 C ATOM 987 O ARG A 65 -12.269 -4.345 1.116 1.00 73.12 O ATOM 988 CB ARG A 65 -13.905 -2.101 1.783 1.00 62.53 C ATOM 989 CG ARG A 65 -14.021 -1.007 2.843 1.00 2.20 C ATOM 990 CD ARG A 65 -14.162 0.383 2.234 1.00 44.11 C ATOM 991 NE ARG A 65 -13.985 1.431 3.235 1.00 4.34 N ATOM 992 CZ ARG A 65 -14.828 2.403 3.443 1.00 50.31 C ATOM 993 NH1 ARG A 65 -15.964 2.435 2.823 1.00 41.15 N ATOM 994 NH2 ARG A 65 -14.547 3.326 4.301 1.00 0.33 N ATOM 0 H ARG A 65 -12.164 -0.285 -0.262 1.00 74.44 H new ATOM 0 HA ARG A 65 -11.854 -1.556 1.509 1.00 52.14 H new ATOM 0 HB2 ARG A 65 -14.792 -2.077 1.151 1.00 62.53 H new ATOM 0 HB3 ARG A 65 -13.891 -3.073 2.276 1.00 62.53 H new ATOM 0 HG2 ARG A 65 -14.883 -1.211 3.478 1.00 2.20 H new ATOM 0 HG3 ARG A 65 -13.140 -1.032 3.484 1.00 2.20 H new ATOM 0 HD2 ARG A 65 -13.425 0.509 1.441 1.00 44.11 H new ATOM 0 HD3 ARG A 65 -15.145 0.481 1.774 1.00 44.11 H new ATOM 0 HE ARG A 65 -13.144 1.400 3.811 1.00 4.34 H new ATOM 0 HH11 ARG A 65 -16.207 1.695 2.164 1.00 41.15 H new ATOM 0 HH12 ARG A 65 -16.616 3.200 2.993 1.00 41.15 H new ATOM 0 HH21 ARG A 65 -13.666 3.294 4.815 1.00 0.33 H new ATOM 0 HH22 ARG A 65 -15.206 4.087 4.465 1.00 0.33 H new ATOM 1008 N GLN A 66 -11.671 -3.389 -0.831 1.00 2.13 N ATOM 1009 CA GLN A 66 -11.057 -4.606 -1.370 1.00 31.23 C ATOM 1010 C GLN A 66 -9.576 -4.689 -0.967 1.00 31.33 C ATOM 1011 O GLN A 66 -8.843 -3.699 -1.045 1.00 23.40 O ATOM 1012 CB GLN A 66 -11.189 -4.640 -2.900 1.00 4.13 C ATOM 1013 CG GLN A 66 -12.628 -4.687 -3.409 1.00 54.33 C ATOM 1014 CD GLN A 66 -13.379 -5.930 -2.958 1.00 43.51 C ATOM 1015 OE1 GLN A 66 -14.034 -5.940 -1.921 1.00 43.41 O ATOM 1016 NE2 GLN A 66 -13.286 -6.994 -3.728 1.00 34.03 N ATOM 0 H GLN A 66 -11.665 -2.596 -1.472 1.00 2.13 H new ATOM 0 HA GLN A 66 -11.580 -5.466 -0.952 1.00 31.23 H new ATOM 0 HB2 GLN A 66 -10.699 -3.759 -3.314 1.00 4.13 H new ATOM 0 HB3 GLN A 66 -10.654 -5.511 -3.279 1.00 4.13 H new ATOM 0 HG2 GLN A 66 -13.160 -3.802 -3.060 1.00 54.33 H new ATOM 0 HG3 GLN A 66 -12.623 -4.648 -4.498 1.00 54.33 H new ATOM 0 HE21 GLN A 66 -12.734 -6.957 -4.585 1.00 34.03 H new ATOM 0 HE22 GLN A 66 -13.766 -7.856 -3.468 1.00 34.03 H new ATOM 1025 N ARG A 67 -9.147 -5.866 -0.518 1.00 63.41 N ATOM 1026 CA ARG A 67 -7.751 -6.090 -0.131 1.00 41.22 C ATOM 1027 C ARG A 67 -6.950 -6.691 -1.295 1.00 42.35 C ATOM 1028 O ARG A 67 -7.333 -7.716 -1.858 1.00 14.30 O ATOM 1029 CB ARG A 67 -7.683 -7.034 1.079 1.00 12.42 C ATOM 1030 CG ARG A 67 -8.470 -6.542 2.288 1.00 22.45 C ATOM 1031 CD ARG A 67 -8.415 -7.534 3.446 1.00 15.33 C ATOM 1032 NE ARG A 67 -8.843 -8.872 3.039 1.00 73.43 N ATOM 1033 CZ ARG A 67 -10.006 -9.394 3.320 1.00 42.21 C ATOM 1034 NH1 ARG A 67 -10.900 -8.711 3.963 1.00 44.20 N ATOM 1035 NH2 ARG A 67 -10.277 -10.597 2.937 1.00 71.34 N ATOM 0 H ARG A 67 -9.747 -6.684 -0.412 1.00 63.41 H new ATOM 0 HA ARG A 67 -7.315 -5.127 0.134 1.00 41.22 H new ATOM 0 HB2 ARG A 67 -8.061 -8.014 0.786 1.00 12.42 H new ATOM 0 HB3 ARG A 67 -6.640 -7.167 1.366 1.00 12.42 H new ATOM 0 HG2 ARG A 67 -8.071 -5.581 2.614 1.00 22.45 H new ATOM 0 HG3 ARG A 67 -9.508 -6.376 2.002 1.00 22.45 H new ATOM 0 HD2 ARG A 67 -7.398 -7.581 3.836 1.00 15.33 H new ATOM 0 HD3 ARG A 67 -9.051 -7.180 4.257 1.00 15.33 H new ATOM 0 HE ARG A 67 -8.187 -9.436 2.498 1.00 73.43 H new ATOM 0 HH11 ARG A 67 -10.698 -7.755 4.255 1.00 44.20 H new ATOM 0 HH12 ARG A 67 -11.805 -9.130 4.177 1.00 44.20 H new ATOM 0 HH21 ARG A 67 -9.584 -11.135 2.417 1.00 71.34 H new ATOM 0 HH22 ARG A 67 -11.184 -11.009 3.154 1.00 71.34 H new ATOM 1049 N GLY A 68 -5.836 -6.055 -1.641 1.00 11.24 N ATOM 1050 CA GLY A 68 -5.005 -6.541 -2.738 1.00 34.44 C ATOM 1051 C GLY A 68 -3.535 -6.174 -2.576 1.00 24.21 C ATOM 1052 O GLY A 68 -3.098 -5.811 -1.482 1.00 11.43 O ATOM 0 H GLY A 68 -5.490 -5.211 -1.184 1.00 11.24 H new ATOM 0 HA2 GLY A 68 -5.098 -7.625 -2.805 1.00 34.44 H new ATOM 0 HA3 GLY A 68 -5.375 -6.130 -3.677 1.00 34.44 H new ATOM 1056 N ASP A 69 -2.775 -6.282 -3.660 1.00 52.31 N ATOM 1057 CA ASP A 69 -1.359 -5.897 -3.670 1.00 24.13 C ATOM 1058 C ASP A 69 -1.142 -4.629 -4.505 1.00 20.24 C ATOM 1059 O ASP A 69 -1.906 -4.340 -5.423 1.00 72.34 O ATOM 1060 CB ASP A 69 -0.496 -7.044 -4.219 1.00 33.42 C ATOM 1061 CG ASP A 69 0.148 -7.871 -3.119 1.00 21.35 C ATOM 1062 OD1 ASP A 69 -0.552 -8.693 -2.491 1.00 41.51 O ATOM 1063 OD2 ASP A 69 1.362 -7.710 -2.884 1.00 52.23 O ATOM 0 H ASP A 69 -3.115 -6.636 -4.554 1.00 52.31 H new ATOM 0 HA ASP A 69 -1.058 -5.688 -2.643 1.00 24.13 H new ATOM 0 HB2 ASP A 69 -1.113 -7.692 -4.841 1.00 33.42 H new ATOM 0 HB3 ASP A 69 0.282 -6.632 -4.862 1.00 33.42 H new ATOM 1068 N PHE A 70 -0.099 -3.874 -4.173 1.00 34.01 N ATOM 1069 CA PHE A 70 0.240 -2.656 -4.913 1.00 5.45 C ATOM 1070 C PHE A 70 1.738 -2.328 -4.793 1.00 0.12 C ATOM 1071 O PHE A 70 2.329 -2.462 -3.717 1.00 24.23 O ATOM 1072 CB PHE A 70 -0.597 -1.469 -4.403 1.00 44.32 C ATOM 1073 CG PHE A 70 -0.361 -1.125 -2.949 1.00 41.34 C ATOM 1074 CD1 PHE A 70 -1.052 -1.787 -1.943 1.00 32.11 C ATOM 1075 CD2 PHE A 70 0.551 -0.139 -2.590 1.00 3.51 C ATOM 1076 CE1 PHE A 70 -0.840 -1.472 -0.614 1.00 1.32 C ATOM 1077 CE2 PHE A 70 0.766 0.178 -1.262 1.00 55.33 C ATOM 1078 CZ PHE A 70 0.072 -0.490 -0.273 1.00 62.41 C ATOM 0 H PHE A 70 0.528 -4.082 -3.396 1.00 34.01 H new ATOM 0 HA PHE A 70 0.012 -2.832 -5.964 1.00 5.45 H new ATOM 0 HB2 PHE A 70 -0.375 -0.593 -5.013 1.00 44.32 H new ATOM 0 HB3 PHE A 70 -1.654 -1.696 -4.544 1.00 44.32 H new ATOM 0 HD1 PHE A 70 -1.764 -2.557 -2.202 1.00 32.11 H new ATOM 0 HD2 PHE A 70 1.099 0.386 -3.359 1.00 3.51 H new ATOM 0 HE1 PHE A 70 -1.387 -1.993 0.158 1.00 1.32 H new ATOM 0 HE2 PHE A 70 1.476 0.948 -0.998 1.00 55.33 H new ATOM 0 HZ PHE A 70 0.241 -0.246 0.765 1.00 62.41 H new ATOM 1088 N PRO A 71 2.380 -1.907 -5.899 1.00 41.15 N ATOM 1089 CA PRO A 71 3.776 -1.446 -5.876 1.00 74.35 C ATOM 1090 C PRO A 71 3.929 -0.094 -5.153 1.00 15.00 C ATOM 1091 O PRO A 71 3.359 0.918 -5.574 1.00 14.12 O ATOM 1092 CB PRO A 71 4.147 -1.312 -7.368 1.00 33.44 C ATOM 1093 CG PRO A 71 3.043 -1.987 -8.118 1.00 73.21 C ATOM 1094 CD PRO A 71 1.818 -1.868 -7.256 1.00 55.12 C ATOM 0 HA PRO A 71 4.422 -2.135 -5.332 1.00 74.35 H new ATOM 0 HB2 PRO A 71 4.235 -0.265 -7.658 1.00 33.44 H new ATOM 0 HB3 PRO A 71 5.108 -1.782 -7.577 1.00 33.44 H new ATOM 0 HG2 PRO A 71 2.885 -1.514 -9.087 1.00 73.21 H new ATOM 0 HG3 PRO A 71 3.285 -3.033 -8.309 1.00 73.21 H new ATOM 0 HD2 PRO A 71 1.277 -0.941 -7.445 1.00 55.12 H new ATOM 0 HD3 PRO A 71 1.119 -2.686 -7.429 1.00 55.12 H new ATOM 1102 N GLY A 72 4.707 -0.081 -4.071 1.00 43.13 N ATOM 1103 CA GLY A 72 4.888 1.132 -3.270 1.00 53.42 C ATOM 1104 C GLY A 72 5.329 2.362 -4.068 1.00 31.21 C ATOM 1105 O GLY A 72 5.152 3.494 -3.619 1.00 54.10 O ATOM 0 H GLY A 72 5.221 -0.893 -3.729 1.00 43.13 H new ATOM 0 HA2 GLY A 72 3.950 1.361 -2.764 1.00 53.42 H new ATOM 0 HA3 GLY A 72 5.628 0.933 -2.495 1.00 53.42 H new ATOM 1109 N THR A 73 5.896 2.143 -5.249 1.00 62.21 N ATOM 1110 CA THR A 73 6.345 3.244 -6.118 1.00 73.42 C ATOM 1111 C THR A 73 5.197 4.183 -6.545 1.00 13.41 C ATOM 1112 O THR A 73 5.442 5.300 -7.004 1.00 43.53 O ATOM 1113 CB THR A 73 7.050 2.709 -7.390 1.00 45.52 C ATOM 1114 OG1 THR A 73 7.503 3.795 -8.214 1.00 31.12 O ATOM 1115 CG2 THR A 73 6.121 1.811 -8.203 1.00 52.21 C ATOM 0 H THR A 73 6.060 1.213 -5.635 1.00 62.21 H new ATOM 0 HA THR A 73 7.049 3.819 -5.516 1.00 73.42 H new ATOM 0 HB THR A 73 7.908 2.121 -7.063 1.00 45.52 H new ATOM 0 HG1 THR A 73 7.004 4.607 -7.988 1.00 31.12 H new ATOM 0 HG21 THR A 73 6.645 1.452 -9.089 1.00 52.21 H new ATOM 0 HG22 THR A 73 5.812 0.961 -7.595 1.00 52.21 H new ATOM 0 HG23 THR A 73 5.241 2.378 -8.507 1.00 52.21 H new ATOM 1123 N TYR A 74 3.949 3.736 -6.395 1.00 70.24 N ATOM 1124 CA TYR A 74 2.781 4.547 -6.790 1.00 65.31 C ATOM 1125 C TYR A 74 2.139 5.283 -5.596 1.00 23.12 C ATOM 1126 O TYR A 74 1.197 6.060 -5.774 1.00 34.02 O ATOM 1127 CB TYR A 74 1.723 3.664 -7.470 1.00 14.32 C ATOM 1128 CG TYR A 74 2.192 3.004 -8.754 1.00 54.23 C ATOM 1129 CD1 TYR A 74 2.436 3.757 -9.897 1.00 51.12 C ATOM 1130 CD2 TYR A 74 2.388 1.630 -8.824 1.00 72.21 C ATOM 1131 CE1 TYR A 74 2.859 3.159 -11.071 1.00 42.43 C ATOM 1132 CE2 TYR A 74 2.809 1.026 -9.993 1.00 3.43 C ATOM 1133 CZ TYR A 74 3.044 1.794 -11.112 1.00 45.42 C ATOM 1134 OH TYR A 74 3.462 1.191 -12.278 1.00 44.41 O ATOM 0 H TYR A 74 3.715 2.823 -6.006 1.00 70.24 H new ATOM 0 HA TYR A 74 3.146 5.301 -7.488 1.00 65.31 H new ATOM 0 HB2 TYR A 74 1.409 2.889 -6.771 1.00 14.32 H new ATOM 0 HB3 TYR A 74 0.845 4.272 -7.687 1.00 14.32 H new ATOM 0 HD1 TYR A 74 2.293 4.827 -9.868 1.00 51.12 H new ATOM 0 HD2 TYR A 74 2.208 1.023 -7.949 1.00 72.21 H new ATOM 0 HE1 TYR A 74 3.043 3.759 -11.950 1.00 42.43 H new ATOM 0 HE2 TYR A 74 2.953 -0.044 -10.029 1.00 3.43 H new ATOM 0 HH TYR A 74 3.544 0.225 -12.136 1.00 44.41 H new ATOM 1144 N VAL A 75 2.641 5.042 -4.385 1.00 13.01 N ATOM 1145 CA VAL A 75 2.050 5.636 -3.173 1.00 32.12 C ATOM 1146 C VAL A 75 3.101 6.317 -2.281 1.00 23.12 C ATOM 1147 O VAL A 75 4.297 6.046 -2.386 1.00 64.05 O ATOM 1148 CB VAL A 75 1.300 4.569 -2.330 1.00 1.34 C ATOM 1149 CG1 VAL A 75 0.145 3.957 -3.125 1.00 34.42 C ATOM 1150 CG2 VAL A 75 2.263 3.484 -1.845 1.00 21.44 C ATOM 0 H VAL A 75 3.449 4.445 -4.211 1.00 13.01 H new ATOM 0 HA VAL A 75 1.347 6.392 -3.524 1.00 32.12 H new ATOM 0 HB VAL A 75 0.880 5.065 -1.455 1.00 1.34 H new ATOM 0 HG11 VAL A 75 -0.364 3.213 -2.513 1.00 34.42 H new ATOM 0 HG12 VAL A 75 -0.559 4.740 -3.405 1.00 34.42 H new ATOM 0 HG13 VAL A 75 0.535 3.481 -4.025 1.00 34.42 H new ATOM 0 HG21 VAL A 75 1.715 2.748 -1.257 1.00 21.44 H new ATOM 0 HG22 VAL A 75 2.721 2.994 -2.704 1.00 21.44 H new ATOM 0 HG23 VAL A 75 3.040 3.936 -1.228 1.00 21.44 H new ATOM 1160 N GLU A 76 2.643 7.208 -1.402 1.00 32.40 N ATOM 1161 CA GLU A 76 3.524 7.849 -0.415 1.00 35.40 C ATOM 1162 C GLU A 76 3.211 7.346 1.003 1.00 65.51 C ATOM 1163 O GLU A 76 2.077 6.962 1.299 1.00 3.51 O ATOM 1164 CB GLU A 76 3.369 9.378 -0.455 1.00 11.41 C ATOM 1165 CG GLU A 76 2.008 9.869 0.028 1.00 13.32 C ATOM 1166 CD GLU A 76 1.942 11.379 0.189 1.00 75.33 C ATOM 1167 OE1 GLU A 76 2.508 11.901 1.175 1.00 13.11 O ATOM 1168 OE2 GLU A 76 1.308 12.047 -0.648 1.00 1.34 O ATOM 0 H GLU A 76 1.669 7.505 -1.350 1.00 32.40 H new ATOM 0 HA GLU A 76 4.550 7.586 -0.671 1.00 35.40 H new ATOM 0 HB2 GLU A 76 4.147 9.829 0.160 1.00 11.41 H new ATOM 0 HB3 GLU A 76 3.529 9.724 -1.476 1.00 11.41 H new ATOM 0 HG2 GLU A 76 1.242 9.551 -0.679 1.00 13.32 H new ATOM 0 HG3 GLU A 76 1.776 9.397 0.983 1.00 13.32 H new ATOM 1175 N PHE A 77 4.214 7.358 1.877 1.00 62.04 N ATOM 1176 CA PHE A 77 4.029 6.953 3.276 1.00 33.15 C ATOM 1177 C PHE A 77 3.463 8.108 4.119 1.00 61.40 C ATOM 1178 O PHE A 77 4.085 9.164 4.242 1.00 4.44 O ATOM 1179 CB PHE A 77 5.362 6.465 3.865 1.00 11.32 C ATOM 1180 CG PHE A 77 5.308 6.149 5.343 1.00 33.13 C ATOM 1181 CD1 PHE A 77 4.437 5.184 5.836 1.00 35.22 C ATOM 1182 CD2 PHE A 77 6.127 6.823 6.240 1.00 3.01 C ATOM 1183 CE1 PHE A 77 4.390 4.901 7.188 1.00 23.32 C ATOM 1184 CE2 PHE A 77 6.081 6.541 7.593 1.00 2.53 C ATOM 1185 CZ PHE A 77 5.212 5.578 8.066 1.00 71.23 C ATOM 0 H PHE A 77 5.165 7.643 1.645 1.00 62.04 H new ATOM 0 HA PHE A 77 3.308 6.136 3.301 1.00 33.15 H new ATOM 0 HB2 PHE A 77 5.680 5.573 3.326 1.00 11.32 H new ATOM 0 HB3 PHE A 77 6.122 7.228 3.695 1.00 11.32 H new ATOM 0 HD1 PHE A 77 3.790 4.650 5.155 1.00 35.22 H new ATOM 0 HD2 PHE A 77 6.809 7.577 5.876 1.00 3.01 H new ATOM 0 HE1 PHE A 77 3.709 4.149 7.558 1.00 23.32 H new ATOM 0 HE2 PHE A 77 6.724 7.073 8.279 1.00 2.53 H new ATOM 0 HZ PHE A 77 5.175 5.355 9.122 1.00 71.23 H new ATOM 1195 N LEU A 78 2.279 7.904 4.696 1.00 1.23 N ATOM 1196 CA LEU A 78 1.641 8.923 5.538 1.00 75.43 C ATOM 1197 C LEU A 78 2.045 8.757 7.012 1.00 4.31 C ATOM 1198 O LEU A 78 2.653 9.650 7.608 1.00 13.13 O ATOM 1199 CB LEU A 78 0.111 8.847 5.400 1.00 34.33 C ATOM 1200 CG LEU A 78 -0.436 9.085 3.981 1.00 24.21 C ATOM 1201 CD1 LEU A 78 -1.955 8.947 3.958 1.00 52.44 C ATOM 1202 CD2 LEU A 78 -0.009 10.456 3.457 1.00 24.42 C ATOM 0 H LEU A 78 1.740 7.044 4.598 1.00 1.23 H new ATOM 0 HA LEU A 78 1.982 9.901 5.199 1.00 75.43 H new ATOM 0 HB2 LEU A 78 -0.219 7.865 5.738 1.00 34.33 H new ATOM 0 HB3 LEU A 78 -0.334 9.582 6.071 1.00 34.33 H new ATOM 0 HG LEU A 78 -0.015 8.325 3.323 1.00 24.21 H new ATOM 0 HD11 LEU A 78 -2.321 9.119 2.946 1.00 52.44 H new ATOM 0 HD12 LEU A 78 -2.234 7.943 4.279 1.00 52.44 H new ATOM 0 HD13 LEU A 78 -2.397 9.680 4.633 1.00 52.44 H new ATOM 0 HD21 LEU A 78 -0.407 10.602 2.453 1.00 24.42 H new ATOM 0 HD22 LEU A 78 -0.394 11.234 4.117 1.00 24.42 H new ATOM 0 HD23 LEU A 78 1.079 10.511 3.427 1.00 24.42 H new ATOM 1214 N GLY A 79 1.706 7.610 7.595 1.00 40.43 N ATOM 1215 CA GLY A 79 2.036 7.346 8.992 1.00 45.41 C ATOM 1216 C GLY A 79 1.124 6.306 9.636 1.00 70.15 C ATOM 1217 O GLY A 79 0.364 5.631 8.939 1.00 41.43 O ATOM 0 H GLY A 79 1.207 6.854 7.126 1.00 40.43 H new ATOM 0 HA2 GLY A 79 3.069 7.005 9.057 1.00 45.41 H new ATOM 0 HA3 GLY A 79 1.972 8.276 9.556 1.00 45.41 H new ATOM 1221 N PRO A 80 1.184 6.140 10.973 1.00 4.25 N ATOM 1222 CA PRO A 80 0.328 5.179 11.694 1.00 71.53 C ATOM 1223 C PRO A 80 -1.139 5.643 11.808 1.00 75.32 C ATOM 1224 O PRO A 80 -1.485 6.767 11.435 1.00 40.02 O ATOM 1225 CB PRO A 80 0.989 5.102 13.076 1.00 33.54 C ATOM 1226 CG PRO A 80 1.632 6.438 13.257 1.00 24.54 C ATOM 1227 CD PRO A 80 2.096 6.864 11.886 1.00 24.34 C ATOM 0 HA PRO A 80 0.264 4.221 11.178 1.00 71.53 H new ATOM 0 HB2 PRO A 80 0.254 4.906 13.857 1.00 33.54 H new ATOM 0 HB3 PRO A 80 1.724 4.298 13.120 1.00 33.54 H new ATOM 0 HG2 PRO A 80 0.926 7.158 13.671 1.00 24.54 H new ATOM 0 HG3 PRO A 80 2.470 6.377 13.951 1.00 24.54 H new ATOM 0 HD2 PRO A 80 2.022 7.944 11.755 1.00 24.34 H new ATOM 0 HD3 PRO A 80 3.137 6.592 11.712 1.00 24.34 H new ATOM 1235 N LEU A 81 -2.001 4.766 12.323 1.00 22.35 N ATOM 1236 CA LEU A 81 -3.431 5.073 12.471 1.00 61.35 C ATOM 1237 C LEU A 81 -3.754 5.573 13.886 1.00 54.20 C ATOM 1238 O LEU A 81 -2.973 5.387 14.820 1.00 23.13 O ATOM 1239 CB LEU A 81 -4.292 3.841 12.136 1.00 10.11 C ATOM 1240 CG LEU A 81 -4.247 3.380 10.665 1.00 14.42 C ATOM 1241 CD1 LEU A 81 -2.891 2.779 10.307 1.00 65.35 C ATOM 1242 CD2 LEU A 81 -5.368 2.390 10.366 1.00 54.45 C ATOM 0 H LEU A 81 -1.737 3.835 12.646 1.00 22.35 H new ATOM 0 HA LEU A 81 -3.668 5.870 11.767 1.00 61.35 H new ATOM 0 HB2 LEU A 81 -3.972 3.013 12.768 1.00 10.11 H new ATOM 0 HB3 LEU A 81 -5.327 4.060 12.398 1.00 10.11 H new ATOM 0 HG LEU A 81 -4.395 4.263 10.044 1.00 14.42 H new ATOM 0 HD11 LEU A 81 -2.896 2.465 9.263 1.00 65.35 H new ATOM 0 HD12 LEU A 81 -2.111 3.525 10.458 1.00 65.35 H new ATOM 0 HD13 LEU A 81 -2.696 1.916 10.944 1.00 65.35 H new ATOM 0 HD21 LEU A 81 -5.312 2.082 9.322 1.00 54.45 H new ATOM 0 HD22 LEU A 81 -5.262 1.516 11.009 1.00 54.45 H new ATOM 0 HD23 LEU A 81 -6.332 2.864 10.553 1.00 54.45 H new