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= 1.34 K(o=2.3,f=-3.8!) USER MOD Set 1.2: A 64 THR OG1 : rot -64:sc= 0.987 USER MOD Single : A 8 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.49) USER MOD Single : A 9 TYR OH : rot -15:sc= -0.186 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 39 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.64) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.01 X(o=-2,f=-2.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -132:sc= -0.358 (180deg=-1.39) USER MOD Single : A 66 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.43) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 0.102 -0.553 12.824 1.00 53.34 N ATOM 67 CA GLY A 6 0.475 -0.676 11.418 1.00 53.42 C ATOM 68 C GLY A 6 0.939 0.639 10.805 1.00 3.32 C ATOM 69 O GLY A 6 1.447 1.509 11.508 1.00 35.32 O ATOM 0 HA2 GLY A 6 1.271 -1.415 11.323 1.00 53.42 H new ATOM 0 HA3 GLY A 6 -0.378 -1.052 10.854 1.00 53.42 H new ATOM 73 N PHE A 7 0.765 0.779 9.492 1.00 23.52 N ATOM 74 CA PHE A 7 1.128 2.007 8.770 1.00 74.34 C ATOM 75 C PHE A 7 0.095 2.326 7.676 1.00 30.43 C ATOM 76 O PHE A 7 -0.632 1.444 7.213 1.00 54.31 O ATOM 77 CB PHE A 7 2.527 1.876 8.141 1.00 65.23 C ATOM 78 CG PHE A 7 3.654 1.818 9.147 1.00 31.53 C ATOM 79 CD1 PHE A 7 4.198 2.985 9.667 1.00 74.23 C ATOM 80 CD2 PHE A 7 4.171 0.601 9.573 1.00 72.52 C ATOM 81 CE1 PHE A 7 5.231 2.940 10.586 1.00 65.32 C ATOM 82 CE2 PHE A 7 5.203 0.551 10.492 1.00 2.51 C ATOM 83 CZ PHE A 7 5.733 1.721 10.999 1.00 51.35 C ATOM 0 H PHE A 7 0.371 0.051 8.897 1.00 23.52 H new ATOM 0 HA PHE A 7 1.139 2.825 9.491 1.00 74.34 H new ATOM 0 HB2 PHE A 7 2.555 0.975 7.528 1.00 65.23 H new ATOM 0 HB3 PHE A 7 2.694 2.721 7.473 1.00 65.23 H new ATOM 0 HD1 PHE A 7 3.809 3.941 9.349 1.00 74.23 H new ATOM 0 HD2 PHE A 7 3.761 -0.318 9.181 1.00 72.52 H new ATOM 0 HE1 PHE A 7 5.644 3.857 10.980 1.00 65.32 H new ATOM 0 HE2 PHE A 7 5.594 -0.403 10.813 1.00 2.51 H new ATOM 0 HZ PHE A 7 6.539 1.683 11.717 1.00 51.35 H new ATOM 93 N GLN A 8 0.033 3.591 7.267 1.00 73.32 N ATOM 94 CA GLN A 8 -0.897 4.023 6.218 1.00 13.22 C ATOM 95 C GLN A 8 -0.168 4.593 4.994 1.00 10.13 C ATOM 96 O GLN A 8 0.735 5.427 5.116 1.00 33.42 O ATOM 97 CB GLN A 8 -1.872 5.076 6.761 1.00 65.12 C ATOM 98 CG GLN A 8 -2.956 4.509 7.672 1.00 13.10 C ATOM 99 CD GLN A 8 -3.923 5.572 8.171 1.00 23.43 C ATOM 100 OE1 GLN A 8 -3.555 6.726 8.368 1.00 22.51 O ATOM 101 NE2 GLN A 8 -5.168 5.193 8.378 1.00 72.13 N ATOM 0 H GLN A 8 0.615 4.338 7.645 1.00 73.32 H new ATOM 0 HA GLN A 8 -1.447 3.136 5.903 1.00 13.22 H new ATOM 0 HB2 GLN A 8 -1.308 5.829 7.311 1.00 65.12 H new ATOM 0 HB3 GLN A 8 -2.347 5.583 5.921 1.00 65.12 H new ATOM 0 HG2 GLN A 8 -3.513 3.742 7.133 1.00 13.10 H new ATOM 0 HG3 GLN A 8 -2.487 4.021 8.527 1.00 13.10 H new ATOM 0 HE21 GLN A 8 -5.442 4.226 8.205 1.00 72.13 H new ATOM 0 HE22 GLN A 8 -5.857 5.867 8.712 1.00 72.13 H new ATOM 110 N TYR A 9 -0.582 4.140 3.818 1.00 1.01 N ATOM 111 CA TYR A 9 -0.095 4.683 2.549 1.00 54.30 C ATOM 112 C TYR A 9 -1.234 5.428 1.837 1.00 21.23 C ATOM 113 O TYR A 9 -2.384 5.364 2.267 1.00 52.03 O ATOM 114 CB TYR A 9 0.455 3.556 1.664 1.00 3.30 C ATOM 115 CG TYR A 9 1.567 2.757 2.325 1.00 34.53 C ATOM 116 CD1 TYR A 9 2.873 3.237 2.357 1.00 4.52 C ATOM 117 CD2 TYR A 9 1.309 1.525 2.923 1.00 4.44 C ATOM 118 CE1 TYR A 9 3.886 2.515 2.962 1.00 3.33 C ATOM 119 CE2 TYR A 9 2.317 0.799 3.529 1.00 3.32 C ATOM 120 CZ TYR A 9 3.603 1.297 3.545 1.00 62.01 C ATOM 121 OH TYR A 9 4.608 0.571 4.143 1.00 75.51 O ATOM 0 H TYR A 9 -1.263 3.388 3.713 1.00 1.01 H new ATOM 0 HA TYR A 9 0.715 5.385 2.745 1.00 54.30 H new ATOM 0 HB2 TYR A 9 -0.359 2.881 1.400 1.00 3.30 H new ATOM 0 HB3 TYR A 9 0.829 3.984 0.734 1.00 3.30 H new ATOM 0 HD1 TYR A 9 3.099 4.190 1.902 1.00 4.52 H new ATOM 0 HD2 TYR A 9 0.304 1.131 2.913 1.00 4.44 H new ATOM 0 HE1 TYR A 9 4.894 2.903 2.978 1.00 3.33 H new ATOM 0 HE2 TYR A 9 2.099 -0.154 3.988 1.00 3.32 H new ATOM 0 HH TYR A 9 5.478 0.926 3.865 1.00 75.51 H new ATOM 131 N ARG A 10 -0.924 6.140 0.764 1.00 20.42 N ATOM 132 CA ARG A 10 -1.944 6.927 0.060 1.00 60.02 C ATOM 133 C ARG A 10 -1.649 7.008 -1.444 1.00 33.03 C ATOM 134 O ARG A 10 -0.593 7.483 -1.851 1.00 65.14 O ATOM 135 CB ARG A 10 -2.006 8.327 0.675 1.00 21.35 C ATOM 136 CG ARG A 10 -3.157 9.194 0.180 1.00 71.40 C ATOM 137 CD ARG A 10 -3.148 10.550 0.871 1.00 71.42 C ATOM 138 NE ARG A 10 -4.275 11.392 0.481 1.00 5.40 N ATOM 139 CZ ARG A 10 -4.156 12.630 0.088 1.00 73.35 C ATOM 140 NH1 ARG A 10 -2.982 13.149 -0.100 1.00 25.35 N ATOM 141 NH2 ARG A 10 -5.214 13.339 -0.136 1.00 52.50 N ATOM 0 H ARG A 10 0.011 6.194 0.360 1.00 20.42 H new ATOM 0 HA ARG A 10 -2.910 6.435 0.172 1.00 60.02 H new ATOM 0 HB2 ARG A 10 -2.083 8.229 1.758 1.00 21.35 H new ATOM 0 HB3 ARG A 10 -1.068 8.841 0.468 1.00 21.35 H new ATOM 0 HG2 ARG A 10 -3.078 9.330 -0.899 1.00 71.40 H new ATOM 0 HG3 ARG A 10 -4.105 8.691 0.369 1.00 71.40 H new ATOM 0 HD2 ARG A 10 -3.167 10.402 1.951 1.00 71.42 H new ATOM 0 HD3 ARG A 10 -2.217 11.066 0.636 1.00 71.42 H new ATOM 0 HE ARG A 10 -5.211 10.988 0.518 1.00 5.40 H new ATOM 0 HH11 ARG A 10 -2.145 12.588 0.060 1.00 25.35 H new ATOM 0 HH12 ARG A 10 -2.896 14.118 -0.407 1.00 25.35 H new ATOM 0 HH21 ARG A 10 -6.139 12.930 -0.005 1.00 52.50 H new ATOM 0 HH22 ARG A 10 -5.123 14.307 -0.443 1.00 52.50 H new ATOM 155 N ALA A 11 -2.588 6.543 -2.264 1.00 10.32 N ATOM 156 CA ALA A 11 -2.396 6.505 -3.719 1.00 2.03 C ATOM 157 C ALA A 11 -2.382 7.913 -4.333 1.00 54.12 C ATOM 158 O ALA A 11 -3.308 8.696 -4.139 1.00 42.44 O ATOM 159 CB ALA A 11 -3.477 5.648 -4.365 1.00 3.35 C ATOM 0 H ALA A 11 -3.491 6.186 -1.950 1.00 10.32 H new ATOM 0 HA ALA A 11 -1.421 6.059 -3.915 1.00 2.03 H new ATOM 0 HB1 ALA A 11 -3.327 5.625 -5.444 1.00 3.35 H new ATOM 0 HB2 ALA A 11 -3.422 4.634 -3.970 1.00 3.35 H new ATOM 0 HB3 ALA A 11 -4.457 6.071 -4.144 1.00 3.35 H new ATOM 165 N LEU A 12 -1.322 8.224 -5.073 1.00 43.31 N ATOM 166 CA LEU A 12 -1.160 9.548 -5.689 1.00 73.55 C ATOM 167 C LEU A 12 -1.670 9.582 -7.140 1.00 70.34 C ATOM 168 O LEU A 12 -2.121 10.622 -7.624 1.00 13.31 O ATOM 169 CB LEU A 12 0.319 9.964 -5.658 1.00 64.24 C ATOM 170 CG LEU A 12 0.951 10.048 -4.259 1.00 43.03 C ATOM 171 CD1 LEU A 12 2.420 10.455 -4.352 1.00 42.14 C ATOM 172 CD2 LEU A 12 0.172 11.021 -3.379 1.00 72.13 C ATOM 0 H LEU A 12 -0.556 7.578 -5.264 1.00 43.31 H new ATOM 0 HA LEU A 12 -1.760 10.249 -5.109 1.00 73.55 H new ATOM 0 HB2 LEU A 12 0.891 9.254 -6.255 1.00 64.24 H new ATOM 0 HB3 LEU A 12 0.416 10.936 -6.141 1.00 64.24 H new ATOM 0 HG LEU A 12 0.904 9.060 -3.801 1.00 43.03 H new ATOM 0 HD11 LEU A 12 2.847 10.508 -3.350 1.00 42.14 H new ATOM 0 HD12 LEU A 12 2.965 9.717 -4.940 1.00 42.14 H new ATOM 0 HD13 LEU A 12 2.498 11.431 -4.832 1.00 42.14 H new ATOM 0 HD21 LEU A 12 0.633 11.068 -2.392 1.00 72.13 H new ATOM 0 HD22 LEU A 12 0.184 12.012 -3.833 1.00 72.13 H new ATOM 0 HD23 LEU A 12 -0.858 10.679 -3.282 1.00 72.13 H new ATOM 184 N TYR A 13 -1.588 8.450 -7.835 1.00 74.33 N ATOM 185 CA TYR A 13 -1.971 8.381 -9.254 1.00 33.15 C ATOM 186 C TYR A 13 -2.988 7.257 -9.506 1.00 23.25 C ATOM 187 O TYR A 13 -2.892 6.180 -8.913 1.00 15.33 O ATOM 188 CB TYR A 13 -0.726 8.161 -10.124 1.00 21.13 C ATOM 189 CG TYR A 13 0.352 9.209 -9.926 1.00 30.25 C ATOM 190 CD1 TYR A 13 0.251 10.459 -10.528 1.00 3.51 C ATOM 191 CD2 TYR A 13 1.465 8.949 -9.134 1.00 45.22 C ATOM 192 CE1 TYR A 13 1.230 11.416 -10.349 1.00 64.13 C ATOM 193 CE2 TYR A 13 2.446 9.902 -8.950 1.00 61.11 C ATOM 194 CZ TYR A 13 2.324 11.133 -9.559 1.00 3.04 C ATOM 195 OH TYR A 13 3.306 12.082 -9.380 1.00 72.24 O ATOM 0 H TYR A 13 -1.261 7.566 -7.445 1.00 74.33 H new ATOM 0 HA TYR A 13 -2.440 9.328 -9.521 1.00 33.15 H new ATOM 0 HB2 TYR A 13 -0.309 7.178 -9.903 1.00 21.13 H new ATOM 0 HB3 TYR A 13 -1.024 8.153 -11.173 1.00 21.13 H new ATOM 0 HD1 TYR A 13 -0.606 10.684 -11.145 1.00 3.51 H new ATOM 0 HD2 TYR A 13 1.563 7.986 -8.655 1.00 45.22 H new ATOM 0 HE1 TYR A 13 1.139 12.381 -10.825 1.00 64.13 H new ATOM 0 HE2 TYR A 13 3.305 9.685 -8.332 1.00 61.11 H new ATOM 0 HH TYR A 13 4.005 11.723 -8.795 1.00 72.24 H new ATOM 205 N PRO A 14 -3.983 7.490 -10.388 1.00 23.24 N ATOM 206 CA PRO A 14 -5.004 6.480 -10.708 1.00 63.11 C ATOM 207 C PRO A 14 -4.495 5.377 -11.655 1.00 24.25 C ATOM 208 O PRO A 14 -4.090 5.646 -12.791 1.00 63.24 O ATOM 209 CB PRO A 14 -6.112 7.301 -11.376 1.00 52.24 C ATOM 210 CG PRO A 14 -5.406 8.464 -11.998 1.00 21.34 C ATOM 211 CD PRO A 14 -4.199 8.751 -11.131 1.00 42.31 C ATOM 0 HA PRO A 14 -5.326 5.939 -9.818 1.00 63.11 H new ATOM 0 HB2 PRO A 14 -6.642 6.713 -12.126 1.00 52.24 H new ATOM 0 HB3 PRO A 14 -6.853 7.632 -10.648 1.00 52.24 H new ATOM 0 HG2 PRO A 14 -5.103 8.232 -13.019 1.00 21.34 H new ATOM 0 HG3 PRO A 14 -6.062 9.333 -12.049 1.00 21.34 H new ATOM 0 HD2 PRO A 14 -3.329 9.014 -11.733 1.00 42.31 H new ATOM 0 HD3 PRO A 14 -4.383 9.586 -10.455 1.00 42.31 H new ATOM 219 N PHE A 15 -4.525 4.136 -11.177 1.00 24.44 N ATOM 220 CA PHE A 15 -4.146 2.971 -11.985 1.00 12.41 C ATOM 221 C PHE A 15 -5.134 1.818 -11.771 1.00 23.20 C ATOM 222 O PHE A 15 -5.381 1.402 -10.635 1.00 42.15 O ATOM 223 CB PHE A 15 -2.716 2.515 -11.651 1.00 22.51 C ATOM 224 CG PHE A 15 -1.646 3.393 -12.250 1.00 15.45 C ATOM 225 CD1 PHE A 15 -1.192 4.521 -11.583 1.00 54.44 C ATOM 226 CD2 PHE A 15 -1.102 3.091 -13.492 1.00 2.44 C ATOM 227 CE1 PHE A 15 -0.218 5.328 -12.141 1.00 13.32 C ATOM 228 CE2 PHE A 15 -0.127 3.893 -14.052 1.00 75.20 C ATOM 229 CZ PHE A 15 0.315 5.014 -13.376 1.00 65.23 C ATOM 0 H PHE A 15 -4.810 3.906 -10.225 1.00 24.44 H new ATOM 0 HA PHE A 15 -4.178 3.265 -13.034 1.00 12.41 H new ATOM 0 HB2 PHE A 15 -2.594 2.495 -10.568 1.00 22.51 H new ATOM 0 HB3 PHE A 15 -2.577 1.494 -12.006 1.00 22.51 H new ATOM 0 HD1 PHE A 15 -1.604 4.772 -10.617 1.00 54.44 H new ATOM 0 HD2 PHE A 15 -1.446 2.218 -14.027 1.00 2.44 H new ATOM 0 HE1 PHE A 15 0.126 6.204 -11.611 1.00 13.32 H new ATOM 0 HE2 PHE A 15 0.289 3.644 -15.017 1.00 75.20 H new ATOM 0 HZ PHE A 15 1.076 5.644 -13.813 1.00 65.23 H new ATOM 367 N LEU A 23 -4.443 -4.787 -6.642 1.00 62.31 N ATOM 368 CA LEU A 23 -5.214 -3.767 -5.904 1.00 44.43 C ATOM 369 C LEU A 23 -5.147 -2.393 -6.598 1.00 51.42 C ATOM 370 O LEU A 23 -4.077 -1.928 -6.991 1.00 54.12 O ATOM 371 CB LEU A 23 -4.729 -3.664 -4.450 1.00 34.13 C ATOM 372 CG LEU A 23 -5.556 -2.734 -3.540 1.00 73.03 C ATOM 373 CD1 LEU A 23 -7.016 -3.192 -3.477 1.00 21.21 C ATOM 374 CD2 LEU A 23 -4.945 -2.670 -2.139 1.00 1.42 C ATOM 0 HA LEU A 23 -6.257 -4.084 -5.899 1.00 44.43 H new ATOM 0 HB2 LEU A 23 -4.727 -4.663 -4.014 1.00 34.13 H new ATOM 0 HB3 LEU A 23 -3.696 -3.316 -4.453 1.00 34.13 H new ATOM 0 HG LEU A 23 -5.536 -1.731 -3.967 1.00 73.03 H new ATOM 0 HD11 LEU A 23 -7.580 -2.521 -2.829 1.00 21.21 H new ATOM 0 HD12 LEU A 23 -7.446 -3.176 -4.479 1.00 21.21 H new ATOM 0 HD13 LEU A 23 -7.063 -4.205 -3.078 1.00 21.21 H new ATOM 0 HD21 LEU A 23 -5.543 -2.009 -1.511 1.00 1.42 H new ATOM 0 HD22 LEU A 23 -4.930 -3.669 -1.703 1.00 1.42 H new ATOM 0 HD23 LEU A 23 -3.927 -2.287 -2.203 1.00 1.42 H new ATOM 386 N GLU A 24 -6.306 -1.741 -6.716 1.00 61.23 N ATOM 387 CA GLU A 24 -6.447 -0.517 -7.518 1.00 52.21 C ATOM 388 C GLU A 24 -6.058 0.747 -6.735 1.00 3.45 C ATOM 389 O GLU A 24 -6.294 0.846 -5.529 1.00 63.24 O ATOM 390 CB GLU A 24 -7.894 -0.415 -8.017 1.00 70.20 C ATOM 391 CG GLU A 24 -8.084 0.511 -9.210 1.00 54.53 C ATOM 392 CD GLU A 24 -9.372 0.216 -9.958 1.00 51.12 C ATOM 393 OE1 GLU A 24 -9.433 -0.827 -10.651 1.00 1.32 O ATOM 394 OE2 GLU A 24 -10.328 1.006 -9.858 1.00 13.55 O ATOM 0 H GLU A 24 -7.169 -2.041 -6.263 1.00 61.23 H new ATOM 0 HA GLU A 24 -5.760 -0.582 -8.362 1.00 52.21 H new ATOM 0 HB2 GLU A 24 -8.243 -1.412 -8.287 1.00 70.20 H new ATOM 0 HB3 GLU A 24 -8.524 -0.067 -7.198 1.00 70.20 H new ATOM 0 HG2 GLU A 24 -8.092 1.546 -8.868 1.00 54.53 H new ATOM 0 HG3 GLU A 24 -7.238 0.406 -9.889 1.00 54.53 H new ATOM 401 N LEU A 25 -5.467 1.718 -7.438 1.00 33.21 N ATOM 402 CA LEU A 25 -4.987 2.960 -6.811 1.00 43.14 C ATOM 403 C LEU A 25 -5.693 4.202 -7.389 1.00 32.20 C ATOM 404 O LEU A 25 -5.745 4.389 -8.604 1.00 75.13 O ATOM 405 CB LEU A 25 -3.465 3.087 -7.003 1.00 13.23 C ATOM 406 CG LEU A 25 -2.627 1.943 -6.406 1.00 5.12 C ATOM 407 CD1 LEU A 25 -1.144 2.158 -6.689 1.00 21.43 C ATOM 408 CD2 LEU A 25 -2.878 1.818 -4.906 1.00 11.00 C ATOM 0 H LEU A 25 -5.308 1.670 -8.444 1.00 33.21 H new ATOM 0 HA LEU A 25 -5.222 2.909 -5.748 1.00 43.14 H new ATOM 0 HB2 LEU A 25 -3.255 3.150 -8.071 1.00 13.23 H new ATOM 0 HB3 LEU A 25 -3.137 4.026 -6.557 1.00 13.23 H new ATOM 0 HG LEU A 25 -2.933 1.011 -6.881 1.00 5.12 H new ATOM 0 HD11 LEU A 25 -0.569 1.338 -6.259 1.00 21.43 H new ATOM 0 HD12 LEU A 25 -0.980 2.190 -7.766 1.00 21.43 H new ATOM 0 HD13 LEU A 25 -0.822 3.100 -6.245 1.00 21.43 H new ATOM 0 HD21 LEU A 25 -2.276 1.003 -4.503 1.00 11.00 H new ATOM 0 HD22 LEU A 25 -2.604 2.750 -4.412 1.00 11.00 H new ATOM 0 HD23 LEU A 25 -3.933 1.611 -4.730 1.00 11.00 H new ATOM 420 N LEU A 26 -6.246 5.043 -6.508 1.00 4.14 N ATOM 421 CA LEU A 26 -6.895 6.305 -6.914 1.00 12.54 C ATOM 422 C LEU A 26 -6.251 7.511 -6.196 1.00 13.12 C ATOM 423 O LEU A 26 -5.894 7.419 -5.022 1.00 32.32 O ATOM 424 CB LEU A 26 -8.411 6.266 -6.621 1.00 32.50 C ATOM 425 CG LEU A 26 -9.295 5.537 -7.656 1.00 54.30 C ATOM 426 CD1 LEU A 26 -9.129 6.150 -9.044 1.00 53.15 C ATOM 427 CD2 LEU A 26 -8.999 4.040 -7.690 1.00 24.10 C ATOM 0 H LEU A 26 -6.259 4.875 -5.502 1.00 4.14 H new ATOM 0 HA LEU A 26 -6.751 6.420 -7.988 1.00 12.54 H new ATOM 0 HB2 LEU A 26 -8.559 5.791 -5.651 1.00 32.50 H new ATOM 0 HB3 LEU A 26 -8.767 7.292 -6.531 1.00 32.50 H new ATOM 0 HG LEU A 26 -10.332 5.664 -7.346 1.00 54.30 H new ATOM 0 HD11 LEU A 26 -9.762 5.619 -9.755 1.00 53.15 H new ATOM 0 HD12 LEU A 26 -9.419 7.200 -9.015 1.00 53.15 H new ATOM 0 HD13 LEU A 26 -8.087 6.069 -9.355 1.00 53.15 H new ATOM 0 HD21 LEU A 26 -9.639 3.559 -8.429 1.00 24.10 H new ATOM 0 HD22 LEU A 26 -7.954 3.882 -7.957 1.00 24.10 H new ATOM 0 HD23 LEU A 26 -9.192 3.609 -6.708 1.00 24.10 H new ATOM 439 N PRO A 27 -6.122 8.669 -6.882 1.00 12.15 N ATOM 440 CA PRO A 27 -5.427 9.852 -6.330 1.00 2.04 C ATOM 441 C PRO A 27 -6.105 10.430 -5.072 1.00 10.13 C ATOM 442 O PRO A 27 -7.266 10.846 -5.108 1.00 44.43 O ATOM 443 CB PRO A 27 -5.472 10.866 -7.486 1.00 3.33 C ATOM 444 CG PRO A 27 -6.620 10.430 -8.330 1.00 75.22 C ATOM 445 CD PRO A 27 -6.656 8.931 -8.231 1.00 42.15 C ATOM 0 HA PRO A 27 -4.419 9.601 -5.999 1.00 2.04 H new ATOM 0 HB2 PRO A 27 -5.616 11.881 -7.116 1.00 3.33 H new ATOM 0 HB3 PRO A 27 -4.541 10.862 -8.052 1.00 3.33 H new ATOM 0 HG2 PRO A 27 -7.554 10.868 -7.976 1.00 75.22 H new ATOM 0 HG3 PRO A 27 -6.489 10.750 -9.364 1.00 75.22 H new ATOM 0 HD2 PRO A 27 -7.669 8.544 -8.345 1.00 42.15 H new ATOM 0 HD3 PRO A 27 -6.047 8.462 -9.003 1.00 42.15 H new ATOM 453 N GLY A 28 -5.370 10.449 -3.963 1.00 11.24 N ATOM 454 CA GLY A 28 -5.889 10.998 -2.716 1.00 20.44 C ATOM 455 C GLY A 28 -6.441 9.940 -1.762 1.00 34.42 C ATOM 456 O GLY A 28 -6.638 10.213 -0.574 1.00 34.23 O ATOM 0 H GLY A 28 -4.417 10.092 -3.904 1.00 11.24 H new ATOM 0 HA2 GLY A 28 -5.094 11.549 -2.213 1.00 20.44 H new ATOM 0 HA3 GLY A 28 -6.678 11.715 -2.945 1.00 20.44 H new ATOM 460 N ASP A 29 -6.674 8.728 -2.265 1.00 64.14 N ATOM 461 CA ASP A 29 -7.298 7.673 -1.460 1.00 12.50 C ATOM 462 C ASP A 29 -6.272 6.969 -0.545 1.00 64.23 C ATOM 463 O ASP A 29 -5.118 6.760 -0.925 1.00 14.41 O ATOM 464 CB ASP A 29 -7.998 6.657 -2.371 1.00 50.43 C ATOM 465 CG ASP A 29 -8.958 5.767 -1.600 1.00 61.34 C ATOM 466 OD1 ASP A 29 -9.988 6.283 -1.114 1.00 62.14 O ATOM 467 OD2 ASP A 29 -8.697 4.556 -1.483 1.00 0.43 O ATOM 0 H ASP A 29 -6.443 8.451 -3.219 1.00 64.14 H new ATOM 0 HA ASP A 29 -8.041 8.141 -0.814 1.00 12.50 H new ATOM 0 HB2 ASP A 29 -8.543 7.186 -3.153 1.00 50.43 H new ATOM 0 HB3 ASP A 29 -7.250 6.039 -2.867 1.00 50.43 H new ATOM 472 N VAL A 30 -6.708 6.605 0.662 1.00 13.45 N ATOM 473 CA VAL A 30 -5.818 6.020 1.678 1.00 60.22 C ATOM 474 C VAL A 30 -5.879 4.483 1.691 1.00 14.22 C ATOM 475 O VAL A 30 -6.941 3.884 1.530 1.00 4.33 O ATOM 476 CB VAL A 30 -6.173 6.549 3.094 1.00 61.34 C ATOM 477 CG1 VAL A 30 -5.287 5.910 4.166 1.00 71.04 C ATOM 478 CG2 VAL A 30 -6.066 8.072 3.142 1.00 0.01 C ATOM 0 H VAL A 30 -7.677 6.704 0.965 1.00 13.45 H new ATOM 0 HA VAL A 30 -4.805 6.323 1.411 1.00 60.22 H new ATOM 0 HB VAL A 30 -7.205 6.268 3.306 1.00 61.34 H new ATOM 0 HG11 VAL A 30 -5.561 6.302 5.146 1.00 71.04 H new ATOM 0 HG12 VAL A 30 -5.426 4.829 4.156 1.00 71.04 H new ATOM 0 HG13 VAL A 30 -4.242 6.144 3.961 1.00 71.04 H new ATOM 0 HG21 VAL A 30 -6.319 8.423 4.142 1.00 0.01 H new ATOM 0 HG22 VAL A 30 -5.047 8.373 2.898 1.00 0.01 H new ATOM 0 HG23 VAL A 30 -6.756 8.508 2.419 1.00 0.01 H new ATOM 488 N LEU A 31 -4.720 3.853 1.886 1.00 30.41 N ATOM 489 CA LEU A 31 -4.628 2.393 1.999 1.00 22.23 C ATOM 490 C LEU A 31 -4.073 1.987 3.376 1.00 20.02 C ATOM 491 O LEU A 31 -2.986 2.416 3.772 1.00 30.00 O ATOM 492 CB LEU A 31 -3.745 1.807 0.883 1.00 5.15 C ATOM 493 CG LEU A 31 -4.264 2.016 -0.555 1.00 35.22 C ATOM 494 CD1 LEU A 31 -4.003 3.441 -1.043 1.00 34.34 C ATOM 495 CD2 LEU A 31 -3.643 0.996 -1.502 1.00 21.44 C ATOM 0 H LEU A 31 -3.824 4.334 1.970 1.00 30.41 H new ATOM 0 HA LEU A 31 -5.634 1.988 1.892 1.00 22.23 H new ATOM 0 HB2 LEU A 31 -2.752 2.249 0.960 1.00 5.15 H new ATOM 0 HB3 LEU A 31 -3.632 0.737 1.058 1.00 5.15 H new ATOM 0 HG LEU A 31 -5.344 1.866 -0.545 1.00 35.22 H new ATOM 0 HD11 LEU A 31 -4.381 3.553 -2.059 1.00 34.34 H new ATOM 0 HD12 LEU A 31 -4.510 4.149 -0.387 1.00 34.34 H new ATOM 0 HD13 LEU A 31 -2.931 3.639 -1.031 1.00 34.34 H new ATOM 0 HD21 LEU A 31 -4.021 1.159 -2.511 1.00 21.44 H new ATOM 0 HD22 LEU A 31 -2.559 1.109 -1.498 1.00 21.44 H new ATOM 0 HD23 LEU A 31 -3.904 -0.010 -1.175 1.00 21.44 H new ATOM 507 N VAL A 32 -4.823 1.159 4.100 1.00 13.04 N ATOM 508 CA VAL A 32 -4.447 0.746 5.459 1.00 64.44 C ATOM 509 C VAL A 32 -3.688 -0.597 5.465 1.00 34.41 C ATOM 510 O VAL A 32 -4.186 -1.604 4.957 1.00 51.51 O ATOM 511 CB VAL A 32 -5.706 0.625 6.359 1.00 74.11 C ATOM 512 CG1 VAL A 32 -5.333 0.206 7.782 1.00 45.02 C ATOM 513 CG2 VAL A 32 -6.493 1.937 6.364 1.00 33.35 C ATOM 0 H VAL A 32 -5.700 0.757 3.770 1.00 13.04 H new ATOM 0 HA VAL A 32 -3.784 1.516 5.853 1.00 64.44 H new ATOM 0 HB VAL A 32 -6.343 -0.155 5.942 1.00 74.11 H new ATOM 0 HG11 VAL A 32 -6.236 0.130 8.387 1.00 45.02 H new ATOM 0 HG12 VAL A 32 -4.831 -0.761 7.757 1.00 45.02 H new ATOM 0 HG13 VAL A 32 -4.666 0.950 8.217 1.00 45.02 H new ATOM 0 HG21 VAL A 32 -7.372 1.832 7.000 1.00 33.35 H new ATOM 0 HG22 VAL A 32 -5.861 2.739 6.747 1.00 33.35 H new ATOM 0 HG23 VAL A 32 -6.807 2.177 5.348 1.00 33.35 H new ATOM 523 N VAL A 33 -2.484 -0.604 6.046 1.00 1.41 N ATOM 524 CA VAL A 33 -1.663 -1.823 6.147 1.00 51.41 C ATOM 525 C VAL A 33 -1.239 -2.090 7.606 1.00 71.40 C ATOM 526 O VAL A 33 -0.898 -1.167 8.345 1.00 4.32 O ATOM 527 CB VAL A 33 -0.397 -1.718 5.255 1.00 43.25 C ATOM 528 CG1 VAL A 33 0.448 -2.988 5.350 1.00 21.41 C ATOM 529 CG2 VAL A 33 -0.780 -1.433 3.801 1.00 41.24 C ATOM 0 H VAL A 33 -2.051 0.223 6.457 1.00 1.41 H new ATOM 0 HA VAL A 33 -2.277 -2.654 5.799 1.00 51.41 H new ATOM 0 HB VAL A 33 0.203 -0.885 5.621 1.00 43.25 H new ATOM 0 HG11 VAL A 33 1.329 -2.887 4.715 1.00 21.41 H new ATOM 0 HG12 VAL A 33 0.761 -3.141 6.383 1.00 21.41 H new ATOM 0 HG13 VAL A 33 -0.142 -3.843 5.019 1.00 21.41 H new ATOM 0 HG21 VAL A 33 0.123 -1.363 3.194 1.00 41.24 H new ATOM 0 HG22 VAL A 33 -1.409 -2.240 3.425 1.00 41.24 H new ATOM 0 HG23 VAL A 33 -1.327 -0.492 3.747 1.00 41.24 H new ATOM 539 N SER A 34 -1.262 -3.357 8.017 1.00 20.24 N ATOM 540 CA SER A 34 -0.892 -3.736 9.394 1.00 42.24 C ATOM 541 C SER A 34 0.592 -4.114 9.503 1.00 1.32 C ATOM 542 O SER A 34 1.228 -4.483 8.511 1.00 51.43 O ATOM 543 CB SER A 34 -1.749 -4.914 9.875 1.00 70.32 C ATOM 544 OG SER A 34 -1.369 -5.327 11.180 1.00 14.14 O ATOM 0 H SER A 34 -1.531 -4.142 7.424 1.00 20.24 H new ATOM 0 HA SER A 34 -1.073 -2.866 10.025 1.00 42.24 H new ATOM 0 HB2 SER A 34 -2.800 -4.627 9.873 1.00 70.32 H new ATOM 0 HB3 SER A 34 -1.646 -5.749 9.182 1.00 70.32 H new ATOM 0 HG SER A 34 -1.932 -6.078 11.463 1.00 14.14 H new ATOM 550 N ARG A 35 1.134 -4.036 10.723 1.00 12.44 N ATOM 551 CA ARG A 35 2.531 -4.419 10.987 1.00 61.05 C ATOM 552 C ARG A 35 2.819 -5.857 10.527 1.00 61.12 C ATOM 553 O ARG A 35 3.871 -6.132 9.951 1.00 13.45 O ATOM 554 CB ARG A 35 2.848 -4.282 12.488 1.00 0.35 C ATOM 555 CG ARG A 35 3.005 -2.840 12.968 1.00 11.42 C ATOM 556 CD ARG A 35 4.342 -2.233 12.547 1.00 40.41 C ATOM 557 NE ARG A 35 5.471 -2.916 13.179 1.00 34.24 N ATOM 558 CZ ARG A 35 6.711 -2.502 13.137 1.00 2.43 C ATOM 559 NH1 ARG A 35 7.033 -1.417 12.508 1.00 1.32 N ATOM 560 NH2 ARG A 35 7.631 -3.181 13.732 1.00 33.54 N ATOM 0 H ARG A 35 0.628 -3.711 11.547 1.00 12.44 H new ATOM 0 HA ARG A 35 3.170 -3.745 10.417 1.00 61.05 H new ATOM 0 HB2 ARG A 35 2.052 -4.759 13.060 1.00 0.35 H new ATOM 0 HB3 ARG A 35 3.767 -4.827 12.705 1.00 0.35 H new ATOM 0 HG2 ARG A 35 2.191 -2.235 12.568 1.00 11.42 H new ATOM 0 HG3 ARG A 35 2.920 -2.809 14.054 1.00 11.42 H new ATOM 0 HD2 ARG A 35 4.442 -2.291 11.463 1.00 40.41 H new ATOM 0 HD3 ARG A 35 4.361 -1.176 12.813 1.00 40.41 H new ATOM 0 HE ARG A 35 5.277 -3.778 13.689 1.00 34.24 H new ATOM 0 HH11 ARG A 35 6.314 -0.870 12.035 1.00 1.32 H new ATOM 0 HH12 ARG A 35 8.005 -1.110 12.486 1.00 1.32 H new ATOM 0 HH21 ARG A 35 7.390 -4.037 14.232 1.00 33.54 H new ATOM 0 HH22 ARG A 35 8.600 -2.863 13.702 1.00 33.54 H new ATOM 574 N ALA A 36 1.872 -6.762 10.779 1.00 41.44 N ATOM 575 CA ALA A 36 2.021 -8.178 10.411 1.00 14.12 C ATOM 576 C ALA A 36 2.361 -8.354 8.919 1.00 21.31 C ATOM 577 O ALA A 36 3.268 -9.109 8.564 1.00 33.42 O ATOM 578 CB ALA A 36 0.747 -8.945 10.762 1.00 22.32 C ATOM 0 H ALA A 36 0.988 -6.542 11.238 1.00 41.44 H new ATOM 0 HA ALA A 36 2.856 -8.583 10.982 1.00 14.12 H new ATOM 0 HB1 ALA A 36 0.866 -9.993 10.486 1.00 22.32 H new ATOM 0 HB2 ALA A 36 0.561 -8.870 11.833 1.00 22.32 H new ATOM 0 HB3 ALA A 36 -0.096 -8.520 10.217 1.00 22.32 H new ATOM 584 N ALA A 37 1.640 -7.636 8.057 1.00 13.11 N ATOM 585 CA ALA A 37 1.852 -7.713 6.606 1.00 22.12 C ATOM 586 C ALA A 37 3.274 -7.277 6.215 1.00 44.12 C ATOM 587 O ALA A 37 3.984 -7.995 5.508 1.00 70.31 O ATOM 588 CB ALA A 37 0.811 -6.862 5.880 1.00 74.32 C ATOM 0 H ALA A 37 0.901 -6.991 8.337 1.00 13.11 H new ATOM 0 HA ALA A 37 1.737 -8.754 6.304 1.00 22.12 H new ATOM 0 HB1 ALA A 37 0.976 -6.925 4.804 1.00 74.32 H new ATOM 0 HB2 ALA A 37 -0.188 -7.229 6.116 1.00 74.32 H new ATOM 0 HB3 ALA A 37 0.902 -5.824 6.201 1.00 74.32 H new ATOM 594 N LEU A 38 3.691 -6.107 6.696 1.00 31.14 N ATOM 595 CA LEU A 38 5.023 -5.568 6.384 1.00 35.42 C ATOM 596 C LEU A 38 6.147 -6.469 6.928 1.00 14.21 C ATOM 597 O LEU A 38 7.159 -6.691 6.258 1.00 63.12 O ATOM 598 CB LEU A 38 5.164 -4.143 6.942 1.00 33.51 C ATOM 599 CG LEU A 38 4.193 -3.108 6.347 1.00 21.11 C ATOM 600 CD1 LEU A 38 4.403 -1.738 6.985 1.00 4.04 C ATOM 601 CD2 LEU A 38 4.349 -3.029 4.829 1.00 1.23 C ATOM 0 H LEU A 38 3.129 -5.511 7.304 1.00 31.14 H new ATOM 0 HA LEU A 38 5.121 -5.539 5.299 1.00 35.42 H new ATOM 0 HB2 LEU A 38 5.018 -4.176 8.022 1.00 33.51 H new ATOM 0 HB3 LEU A 38 6.185 -3.802 6.769 1.00 33.51 H new ATOM 0 HG LEU A 38 3.176 -3.432 6.567 1.00 21.11 H new ATOM 0 HD11 LEU A 38 3.706 -1.023 6.549 1.00 4.04 H new ATOM 0 HD12 LEU A 38 4.229 -1.806 8.059 1.00 4.04 H new ATOM 0 HD13 LEU A 38 5.425 -1.405 6.804 1.00 4.04 H new ATOM 0 HD21 LEU A 38 3.653 -2.291 4.430 1.00 1.23 H new ATOM 0 HD22 LEU A 38 5.370 -2.736 4.583 1.00 1.23 H new ATOM 0 HD23 LEU A 38 4.136 -4.004 4.390 1.00 1.23 H new ATOM 613 N GLN A 39 5.966 -6.993 8.139 1.00 61.12 N ATOM 614 CA GLN A 39 6.951 -7.905 8.733 1.00 73.51 C ATOM 615 C GLN A 39 7.031 -9.227 7.948 1.00 44.21 C ATOM 616 O GLN A 39 8.107 -9.807 7.797 1.00 62.12 O ATOM 617 CB GLN A 39 6.613 -8.174 10.204 1.00 54.20 C ATOM 618 CG GLN A 39 6.668 -6.927 11.088 1.00 32.54 C ATOM 619 CD GLN A 39 8.038 -6.259 11.107 1.00 74.42 C ATOM 620 OE1 GLN A 39 9.063 -6.911 10.951 1.00 2.24 O ATOM 621 NE2 GLN A 39 8.067 -4.954 11.307 1.00 62.43 N ATOM 0 H GLN A 39 5.154 -6.806 8.727 1.00 61.12 H new ATOM 0 HA GLN A 39 7.928 -7.425 8.681 1.00 73.51 H new ATOM 0 HB2 GLN A 39 5.615 -8.607 10.264 1.00 54.20 H new ATOM 0 HB3 GLN A 39 7.307 -8.917 10.597 1.00 54.20 H new ATOM 0 HG2 GLN A 39 5.927 -6.209 10.737 1.00 32.54 H new ATOM 0 HG3 GLN A 39 6.391 -7.200 12.106 1.00 32.54 H new ATOM 0 HE21 GLN A 39 7.196 -4.438 11.434 1.00 62.43 H new ATOM 0 HE22 GLN A 39 8.960 -4.462 11.335 1.00 62.43 H new ATOM 630 N ALA A 40 5.888 -9.690 7.438 1.00 23.00 N ATOM 631 CA ALA A 40 5.845 -10.889 6.590 1.00 2.40 C ATOM 632 C ALA A 40 6.648 -10.689 5.294 1.00 21.22 C ATOM 633 O ALA A 40 7.231 -11.633 4.755 1.00 54.34 O ATOM 634 CB ALA A 40 4.401 -11.254 6.265 1.00 51.31 C ATOM 0 H ALA A 40 4.979 -9.255 7.596 1.00 23.00 H new ATOM 0 HA ALA A 40 6.303 -11.708 7.145 1.00 2.40 H new ATOM 0 HB1 ALA A 40 4.383 -12.144 5.636 1.00 51.31 H new ATOM 0 HB2 ALA A 40 3.859 -11.452 7.190 1.00 51.31 H new ATOM 0 HB3 ALA A 40 3.927 -10.427 5.737 1.00 51.31 H new ATOM 640 N LEU A 41 6.669 -9.450 4.800 1.00 11.20 N ATOM 641 CA LEU A 41 7.449 -9.097 3.606 1.00 1.24 C ATOM 642 C LEU A 41 8.956 -9.037 3.915 1.00 41.04 C ATOM 643 O LEU A 41 9.790 -9.163 3.015 1.00 42.00 O ATOM 644 CB LEU A 41 6.982 -7.743 3.053 1.00 71.33 C ATOM 645 CG LEU A 41 5.499 -7.669 2.653 1.00 51.03 C ATOM 646 CD1 LEU A 41 5.125 -6.252 2.230 1.00 70.32 C ATOM 647 CD2 LEU A 41 5.190 -8.667 1.538 1.00 11.12 C ATOM 0 H LEU A 41 6.154 -8.670 5.208 1.00 11.20 H new ATOM 0 HA LEU A 41 7.285 -9.874 2.860 1.00 1.24 H new ATOM 0 HB2 LEU A 41 7.177 -6.977 3.803 1.00 71.33 H new ATOM 0 HB3 LEU A 41 7.588 -7.497 2.181 1.00 71.33 H new ATOM 0 HG LEU A 41 4.897 -7.934 3.522 1.00 51.03 H new ATOM 0 HD11 LEU A 41 4.072 -6.222 1.951 1.00 70.32 H new ATOM 0 HD12 LEU A 41 5.301 -5.566 3.059 1.00 70.32 H new ATOM 0 HD13 LEU A 41 5.735 -5.954 1.377 1.00 70.32 H new ATOM 0 HD21 LEU A 41 4.136 -8.598 1.270 1.00 11.12 H new ATOM 0 HD22 LEU A 41 5.802 -8.439 0.665 1.00 11.12 H new ATOM 0 HD23 LEU A 41 5.412 -9.677 1.882 1.00 11.12 H new ATOM 659 N GLY A 42 9.295 -8.842 5.190 1.00 51.31 N ATOM 660 CA GLY A 42 10.696 -8.736 5.596 1.00 4.21 C ATOM 661 C GLY A 42 11.250 -7.320 5.460 1.00 14.40 C ATOM 662 O GLY A 42 12.374 -7.123 4.993 1.00 3.42 O ATOM 0 H GLY A 42 8.624 -8.755 5.954 1.00 51.31 H new ATOM 0 HA2 GLY A 42 10.794 -9.061 6.632 1.00 4.21 H new ATOM 0 HA3 GLY A 42 11.297 -9.415 4.991 1.00 4.21 H new ATOM 666 N VAL A 43 10.459 -6.329 5.869 1.00 14.44 N ATOM 667 CA VAL A 43 10.874 -4.924 5.790 1.00 52.42 C ATOM 668 C VAL A 43 11.703 -4.512 7.021 1.00 74.51 C ATOM 669 O VAL A 43 11.354 -4.842 8.156 1.00 54.13 O ATOM 670 CB VAL A 43 9.644 -3.985 5.665 1.00 62.40 C ATOM 671 CG1 VAL A 43 10.080 -2.524 5.536 1.00 44.01 C ATOM 672 CG2 VAL A 43 8.768 -4.402 4.481 1.00 62.33 C ATOM 0 H VAL A 43 9.527 -6.470 6.259 1.00 14.44 H new ATOM 0 HA VAL A 43 11.494 -4.826 4.899 1.00 52.42 H new ATOM 0 HB VAL A 43 9.052 -4.076 6.576 1.00 62.40 H new ATOM 0 HG11 VAL A 43 9.199 -1.888 5.450 1.00 44.01 H new ATOM 0 HG12 VAL A 43 10.651 -2.236 6.418 1.00 44.01 H new ATOM 0 HG13 VAL A 43 10.701 -2.407 4.648 1.00 44.01 H new ATOM 0 HG21 VAL A 43 7.911 -3.733 4.409 1.00 62.33 H new ATOM 0 HG22 VAL A 43 9.350 -4.347 3.561 1.00 62.33 H new ATOM 0 HG23 VAL A 43 8.419 -5.424 4.629 1.00 62.33 H new ATOM 682 N ALA A 44 12.810 -3.809 6.789 1.00 0.04 N ATOM 683 CA ALA A 44 13.630 -3.276 7.879 1.00 13.32 C ATOM 684 C ALA A 44 12.919 -2.114 8.590 1.00 40.40 C ATOM 685 O ALA A 44 12.249 -1.299 7.950 1.00 73.01 O ATOM 686 CB ALA A 44 14.984 -2.824 7.344 1.00 75.34 C ATOM 0 H ALA A 44 13.161 -3.594 5.856 1.00 0.04 H new ATOM 0 HA ALA A 44 13.785 -4.071 8.609 1.00 13.32 H new ATOM 0 HB1 ALA A 44 15.585 -2.429 8.163 1.00 75.34 H new ATOM 0 HB2 ALA A 44 15.498 -3.672 6.892 1.00 75.34 H new ATOM 0 HB3 ALA A 44 14.838 -2.047 6.594 1.00 75.34 H new ATOM 692 N GLU A 45 13.069 -2.041 9.911 1.00 24.53 N ATOM 693 CA GLU A 45 12.413 -1.001 10.710 1.00 21.13 C ATOM 694 C GLU A 45 12.877 0.403 10.276 1.00 34.21 C ATOM 695 O GLU A 45 14.017 0.807 10.536 1.00 72.00 O ATOM 696 CB GLU A 45 12.703 -1.227 12.203 1.00 32.22 C ATOM 697 CG GLU A 45 11.771 -0.465 13.142 1.00 32.24 C ATOM 698 CD GLU A 45 10.319 -0.914 13.025 1.00 65.42 C ATOM 699 OE1 GLU A 45 10.056 -2.127 13.165 1.00 3.11 O ATOM 700 OE2 GLU A 45 9.435 -0.060 12.808 1.00 53.43 O ATOM 0 H GLU A 45 13.639 -2.689 10.454 1.00 24.53 H new ATOM 0 HA GLU A 45 11.338 -1.064 10.544 1.00 21.13 H new ATOM 0 HB2 GLU A 45 12.627 -2.293 12.419 1.00 32.22 H new ATOM 0 HB3 GLU A 45 13.731 -0.932 12.411 1.00 32.22 H new ATOM 0 HG2 GLU A 45 12.107 -0.602 14.170 1.00 32.24 H new ATOM 0 HG3 GLU A 45 11.836 0.601 12.924 1.00 32.24 H new ATOM 707 N GLY A 46 11.991 1.144 9.616 1.00 10.44 N ATOM 708 CA GLY A 46 12.357 2.441 9.049 1.00 61.25 C ATOM 709 C GLY A 46 12.483 2.405 7.525 1.00 74.42 C ATOM 710 O GLY A 46 12.957 3.361 6.906 1.00 73.20 O ATOM 0 H GLY A 46 11.020 0.872 9.461 1.00 10.44 H new ATOM 0 HA2 GLY A 46 11.607 3.180 9.330 1.00 61.25 H new ATOM 0 HA3 GLY A 46 13.303 2.767 9.480 1.00 61.25 H new ATOM 714 N GLY A 47 12.073 1.291 6.922 1.00 1.12 N ATOM 715 CA GLY A 47 12.087 1.158 5.466 1.00 60.31 C ATOM 716 C GLY A 47 10.707 1.353 4.845 1.00 61.23 C ATOM 717 O GLY A 47 10.585 1.814 3.709 1.00 53.04 O ATOM 0 H GLY A 47 11.728 0.469 7.417 1.00 1.12 H new ATOM 0 HA2 GLY A 47 12.777 1.889 5.045 1.00 60.31 H new ATOM 0 HA3 GLY A 47 12.465 0.171 5.199 1.00 60.31 H new ATOM 721 N GLU A 48 9.669 1.008 5.604 1.00 12.24 N ATOM 722 CA GLU A 48 8.273 1.142 5.160 1.00 51.21 C ATOM 723 C GLU A 48 7.930 2.586 4.742 1.00 0.24 C ATOM 724 O GLU A 48 7.109 2.807 3.852 1.00 55.11 O ATOM 725 CB GLU A 48 7.320 0.671 6.277 1.00 12.20 C ATOM 726 CG GLU A 48 7.309 1.553 7.530 1.00 21.10 C ATOM 727 CD GLU A 48 8.694 1.769 8.126 1.00 61.00 C ATOM 728 OE1 GLU A 48 9.320 0.783 8.564 1.00 51.32 O ATOM 729 OE2 GLU A 48 9.173 2.924 8.129 1.00 63.41 O ATOM 0 H GLU A 48 9.766 0.627 6.545 1.00 12.24 H new ATOM 0 HA GLU A 48 8.146 0.512 4.279 1.00 51.21 H new ATOM 0 HB2 GLU A 48 6.308 0.623 5.875 1.00 12.20 H new ATOM 0 HB3 GLU A 48 7.596 -0.343 6.567 1.00 12.20 H new ATOM 0 HG2 GLU A 48 6.873 2.521 7.281 1.00 21.10 H new ATOM 0 HG3 GLU A 48 6.665 1.097 8.282 1.00 21.10 H new ATOM 736 N ARG A 49 8.572 3.564 5.386 1.00 51.34 N ATOM 737 CA ARG A 49 8.401 4.982 5.032 1.00 4.13 C ATOM 738 C ARG A 49 8.743 5.258 3.555 1.00 72.41 C ATOM 739 O ARG A 49 8.395 6.306 3.009 1.00 12.43 O ATOM 740 CB ARG A 49 9.263 5.863 5.945 1.00 13.45 C ATOM 741 CG ARG A 49 10.728 5.436 6.016 1.00 32.13 C ATOM 742 CD ARG A 49 11.571 6.426 6.815 1.00 61.03 C ATOM 743 NE ARG A 49 11.734 7.696 6.110 1.00 41.24 N ATOM 744 CZ ARG A 49 11.631 8.871 6.663 1.00 32.33 C ATOM 745 NH1 ARG A 49 11.292 8.991 7.907 1.00 71.23 N ATOM 746 NH2 ARG A 49 11.857 9.932 5.959 1.00 52.45 N ATOM 0 H ARG A 49 9.218 3.402 6.159 1.00 51.34 H new ATOM 0 HA ARG A 49 7.349 5.228 5.175 1.00 4.13 H new ATOM 0 HB2 ARG A 49 9.212 6.893 5.593 1.00 13.45 H new ATOM 0 HB3 ARG A 49 8.842 5.849 6.950 1.00 13.45 H new ATOM 0 HG2 ARG A 49 10.797 4.449 6.473 1.00 32.13 H new ATOM 0 HG3 ARG A 49 11.130 5.349 5.007 1.00 32.13 H new ATOM 0 HD2 ARG A 49 11.101 6.605 7.782 1.00 61.03 H new ATOM 0 HD3 ARG A 49 12.551 5.992 7.012 1.00 61.03 H new ATOM 0 HE ARG A 49 11.944 7.660 5.112 1.00 41.24 H new ATOM 0 HH11 ARG A 49 11.102 8.159 8.466 1.00 71.23 H new ATOM 0 HH12 ARG A 49 11.215 9.917 8.328 1.00 71.23 H new ATOM 0 HH21 ARG A 49 12.114 9.846 4.976 1.00 52.45 H new ATOM 0 HH22 ARG A 49 11.778 10.854 6.387 1.00 52.45 H new ATOM 760 N CYS A 50 9.442 4.317 2.924 1.00 2.14 N ATOM 761 CA CYS A 50 9.730 4.383 1.487 1.00 74.35 C ATOM 762 C CYS A 50 9.086 3.188 0.760 1.00 33.32 C ATOM 763 O CYS A 50 9.750 2.189 0.479 1.00 54.22 O ATOM 764 CB CYS A 50 11.246 4.406 1.242 1.00 11.44 C ATOM 765 SG CYS A 50 12.108 5.771 2.065 1.00 64.40 S ATOM 0 H CYS A 50 9.824 3.492 3.387 1.00 2.14 H new ATOM 0 HA CYS A 50 9.304 5.304 1.089 1.00 74.35 H new ATOM 0 HB2 CYS A 50 11.673 3.463 1.583 1.00 11.44 H new ATOM 0 HB3 CYS A 50 11.429 4.469 0.169 1.00 11.44 H new ATOM 0 HG CYS A 50 13.379 5.704 1.801 1.00 64.40 H new ATOM 771 N PRO A 51 7.775 3.273 0.449 1.00 65.31 N ATOM 772 CA PRO A 51 7.009 2.144 -0.121 1.00 65.44 C ATOM 773 C PRO A 51 7.614 1.594 -1.427 1.00 73.42 C ATOM 774 O PRO A 51 7.596 0.383 -1.671 1.00 3.21 O ATOM 775 CB PRO A 51 5.609 2.739 -0.367 1.00 31.53 C ATOM 776 CG PRO A 51 5.799 4.222 -0.336 1.00 34.25 C ATOM 777 CD PRO A 51 6.931 4.470 0.623 1.00 22.03 C ATOM 0 HA PRO A 51 7.007 1.286 0.552 1.00 65.44 H new ATOM 0 HB2 PRO A 51 5.207 2.414 -1.327 1.00 31.53 H new ATOM 0 HB3 PRO A 51 4.904 2.417 0.400 1.00 31.53 H new ATOM 0 HG2 PRO A 51 6.036 4.607 -1.328 1.00 34.25 H new ATOM 0 HG3 PRO A 51 4.890 4.726 -0.007 1.00 34.25 H new ATOM 0 HD2 PRO A 51 7.472 5.385 0.382 1.00 22.03 H new ATOM 0 HD3 PRO A 51 6.577 4.570 1.649 1.00 22.03 H new ATOM 785 N GLN A 52 8.165 2.483 -2.254 1.00 33.02 N ATOM 786 CA GLN A 52 8.805 2.082 -3.516 1.00 44.41 C ATOM 787 C GLN A 52 10.006 1.142 -3.282 1.00 42.03 C ATOM 788 O GLN A 52 10.442 0.435 -4.193 1.00 31.41 O ATOM 789 CB GLN A 52 9.227 3.333 -4.314 1.00 13.41 C ATOM 790 CG GLN A 52 10.028 4.365 -3.512 1.00 24.22 C ATOM 791 CD GLN A 52 11.469 3.951 -3.241 1.00 12.13 C ATOM 792 OE1 GLN A 52 12.030 4.277 -2.204 1.00 4.04 O ATOM 793 NE2 GLN A 52 12.085 3.258 -4.178 1.00 1.52 N ATOM 0 H GLN A 52 8.183 3.487 -2.076 1.00 33.02 H new ATOM 0 HA GLN A 52 8.075 1.520 -4.099 1.00 44.41 H new ATOM 0 HB2 GLN A 52 9.823 3.017 -5.170 1.00 13.41 H new ATOM 0 HB3 GLN A 52 8.332 3.815 -4.708 1.00 13.41 H new ATOM 0 HG2 GLN A 52 10.028 5.311 -4.053 1.00 24.22 H new ATOM 0 HG3 GLN A 52 9.526 4.541 -2.561 1.00 24.22 H new ATOM 0 HE21 GLN A 52 11.589 3.002 -5.032 1.00 1.52 H new ATOM 0 HE22 GLN A 52 13.057 2.978 -4.049 1.00 1.52 H new ATOM 802 N SER A 53 10.532 1.142 -2.057 1.00 24.22 N ATOM 803 CA SER A 53 11.651 0.263 -1.679 1.00 53.01 C ATOM 804 C SER A 53 11.160 -1.142 -1.306 1.00 4.23 C ATOM 805 O SER A 53 11.931 -2.104 -1.305 1.00 41.20 O ATOM 806 CB SER A 53 12.430 0.863 -0.498 1.00 2.44 C ATOM 807 OG SER A 53 13.478 0.002 -0.074 1.00 30.21 O ATOM 0 H SER A 53 10.202 1.743 -1.302 1.00 24.22 H new ATOM 0 HA SER A 53 12.308 0.181 -2.545 1.00 53.01 H new ATOM 0 HB2 SER A 53 12.845 1.828 -0.788 1.00 2.44 H new ATOM 0 HB3 SER A 53 11.749 1.046 0.333 1.00 2.44 H new ATOM 0 HG SER A 53 13.955 0.413 0.677 1.00 30.21 H new ATOM 813 N VAL A 54 9.874 -1.253 -0.975 1.00 62.40 N ATOM 814 CA VAL A 54 9.266 -2.541 -0.614 1.00 43.40 C ATOM 815 C VAL A 54 8.583 -3.197 -1.829 1.00 52.15 C ATOM 816 O VAL A 54 8.595 -4.421 -1.983 1.00 13.40 O ATOM 817 CB VAL A 54 8.227 -2.365 0.525 1.00 33.24 C ATOM 818 CG1 VAL A 54 7.680 -3.717 0.983 1.00 4.12 C ATOM 819 CG2 VAL A 54 8.834 -1.595 1.700 1.00 20.42 C ATOM 0 H VAL A 54 9.227 -0.465 -0.948 1.00 62.40 H new ATOM 0 HA VAL A 54 10.070 -3.190 -0.268 1.00 43.40 H new ATOM 0 HB VAL A 54 7.393 -1.783 0.133 1.00 33.24 H new ATOM 0 HG11 VAL A 54 6.954 -3.564 1.782 1.00 4.12 H new ATOM 0 HG12 VAL A 54 7.196 -4.217 0.144 1.00 4.12 H new ATOM 0 HG13 VAL A 54 8.499 -4.335 1.351 1.00 4.12 H new ATOM 0 HG21 VAL A 54 8.088 -1.484 2.486 1.00 20.42 H new ATOM 0 HG22 VAL A 54 9.692 -2.143 2.089 1.00 20.42 H new ATOM 0 HG23 VAL A 54 9.155 -0.610 1.362 1.00 20.42 H new ATOM 829 N GLY A 55 7.980 -2.370 -2.684 1.00 41.43 N ATOM 830 CA GLY A 55 7.331 -2.868 -3.897 1.00 34.43 C ATOM 831 C GLY A 55 5.833 -3.099 -3.720 1.00 5.33 C ATOM 832 O GLY A 55 5.123 -2.244 -3.187 1.00 14.03 O ATOM 0 H GLY A 55 7.928 -1.359 -2.560 1.00 41.43 H new ATOM 0 HA2 GLY A 55 7.490 -2.155 -4.706 1.00 34.43 H new ATOM 0 HA3 GLY A 55 7.804 -3.803 -4.198 1.00 34.43 H new ATOM 836 N TRP A 56 5.348 -4.250 -4.181 1.00 45.23 N ATOM 837 CA TRP A 56 3.938 -4.624 -4.007 1.00 64.41 C ATOM 838 C TRP A 56 3.655 -5.080 -2.564 1.00 21.04 C ATOM 839 O TRP A 56 4.371 -5.915 -2.008 1.00 43.24 O ATOM 840 CB TRP A 56 3.536 -5.714 -5.021 1.00 62.51 C ATOM 841 CG TRP A 56 4.591 -6.761 -5.257 1.00 44.34 C ATOM 842 CD1 TRP A 56 5.062 -7.675 -4.360 1.00 65.22 C ATOM 843 CD2 TRP A 56 5.295 -7.004 -6.484 1.00 61.14 C ATOM 844 NE1 TRP A 56 6.023 -8.460 -4.947 1.00 53.42 N ATOM 845 CE2 TRP A 56 6.180 -8.071 -6.252 1.00 73.41 C ATOM 846 CE3 TRP A 56 5.263 -6.418 -7.756 1.00 73.40 C ATOM 847 CZ2 TRP A 56 7.026 -8.566 -7.242 1.00 2.11 C ATOM 848 CZ3 TRP A 56 6.102 -6.910 -8.738 1.00 41.00 C ATOM 849 CH2 TRP A 56 6.973 -7.975 -8.476 1.00 42.05 C ATOM 0 H TRP A 56 5.907 -4.943 -4.679 1.00 45.23 H new ATOM 0 HA TRP A 56 3.329 -3.740 -4.197 1.00 64.41 H new ATOM 0 HB2 TRP A 56 2.628 -6.203 -4.669 1.00 62.51 H new ATOM 0 HB3 TRP A 56 3.294 -5.238 -5.971 1.00 62.51 H new ATOM 0 HD1 TRP A 56 4.727 -7.767 -3.337 1.00 65.22 H new ATOM 0 HE1 TRP A 56 6.537 -9.211 -4.487 1.00 53.42 H new ATOM 0 HE3 TRP A 56 4.594 -5.596 -7.966 1.00 73.40 H new ATOM 0 HZ2 TRP A 56 7.700 -9.387 -7.043 1.00 2.11 H new ATOM 0 HZ3 TRP A 56 6.086 -6.466 -9.723 1.00 41.00 H new ATOM 0 HH2 TRP A 56 7.616 -8.338 -9.264 1.00 42.05 H new ATOM 860 N MET A 57 2.613 -4.515 -1.956 1.00 30.32 N ATOM 861 CA MET A 57 2.269 -4.813 -0.557 1.00 12.32 C ATOM 862 C MET A 57 0.772 -5.140 -0.398 1.00 14.25 C ATOM 863 O MET A 57 -0.074 -4.512 -1.032 1.00 65.11 O ATOM 864 CB MET A 57 2.634 -3.615 0.335 1.00 34.33 C ATOM 865 CG MET A 57 4.118 -3.260 0.324 1.00 2.02 C ATOM 866 SD MET A 57 4.493 -1.795 1.306 1.00 51.14 S ATOM 867 CE MET A 57 3.659 -0.530 0.352 1.00 21.34 C ATOM 0 H MET A 57 1.988 -3.847 -2.407 1.00 30.32 H new ATOM 0 HA MET A 57 2.840 -5.690 -0.252 1.00 12.32 H new ATOM 0 HB2 MET A 57 2.061 -2.746 0.011 1.00 34.33 H new ATOM 0 HB3 MET A 57 2.331 -3.832 1.359 1.00 34.33 H new ATOM 0 HG2 MET A 57 4.692 -4.104 0.706 1.00 2.02 H new ATOM 0 HG3 MET A 57 4.440 -3.095 -0.704 1.00 2.02 H new ATOM 0 HE1 MET A 57 4.332 0.314 0.201 1.00 21.34 H new ATOM 0 HE2 MET A 57 3.365 -0.938 -0.615 1.00 21.34 H new ATOM 0 HE3 MET A 57 2.772 -0.195 0.889 1.00 21.34 H new ATOM 877 N PRO A 58 0.424 -6.133 0.448 1.00 64.25 N ATOM 878 CA PRO A 58 -0.980 -6.479 0.735 1.00 72.22 C ATOM 879 C PRO A 58 -1.642 -5.525 1.755 1.00 35.13 C ATOM 880 O PRO A 58 -1.202 -5.421 2.905 1.00 72.12 O ATOM 881 CB PRO A 58 -0.864 -7.897 1.306 1.00 12.31 C ATOM 882 CG PRO A 58 0.467 -7.921 1.980 1.00 11.41 C ATOM 883 CD PRO A 58 1.367 -7.011 1.175 1.00 13.12 C ATOM 0 HA PRO A 58 -1.613 -6.402 -0.149 1.00 72.22 H new ATOM 0 HB2 PRO A 58 -1.669 -8.109 2.010 1.00 12.31 H new ATOM 0 HB3 PRO A 58 -0.924 -8.648 0.518 1.00 12.31 H new ATOM 0 HG2 PRO A 58 0.387 -7.576 3.011 1.00 11.41 H new ATOM 0 HG3 PRO A 58 0.868 -8.934 2.013 1.00 11.41 H new ATOM 0 HD2 PRO A 58 2.033 -6.436 1.818 1.00 13.12 H new ATOM 0 HD3 PRO A 58 1.997 -7.577 0.488 1.00 13.12 H new ATOM 891 N GLY A 59 -2.703 -4.835 1.333 1.00 41.31 N ATOM 892 CA GLY A 59 -3.388 -3.895 2.220 1.00 54.41 C ATOM 893 C GLY A 59 -4.863 -3.686 1.880 1.00 33.21 C ATOM 894 O GLY A 59 -5.413 -4.353 0.999 1.00 45.12 O ATOM 0 H GLY A 59 -3.102 -4.907 0.397 1.00 41.31 H new ATOM 0 HA2 GLY A 59 -3.309 -4.255 3.246 1.00 54.41 H new ATOM 0 HA3 GLY A 59 -2.876 -2.934 2.180 1.00 54.41 H new ATOM 898 N LEU A 60 -5.501 -2.756 2.592 1.00 44.30 N ATOM 899 CA LEU A 60 -6.920 -2.428 2.379 1.00 21.52 C ATOM 900 C LEU A 60 -7.084 -1.033 1.751 1.00 34.24 C ATOM 901 O LEU A 60 -6.511 -0.058 2.233 1.00 24.25 O ATOM 902 CB LEU A 60 -7.672 -2.477 3.720 1.00 52.22 C ATOM 903 CG LEU A 60 -9.135 -1.993 3.684 1.00 22.21 C ATOM 904 CD1 LEU A 60 -9.993 -2.891 2.795 1.00 1.00 C ATOM 905 CD2 LEU A 60 -9.709 -1.915 5.096 1.00 21.21 C ATOM 0 H LEU A 60 -5.056 -2.209 3.329 1.00 44.30 H new ATOM 0 HA LEU A 60 -7.336 -3.165 1.692 1.00 21.52 H new ATOM 0 HB2 LEU A 60 -7.657 -3.503 4.087 1.00 52.22 H new ATOM 0 HB3 LEU A 60 -7.126 -1.872 4.444 1.00 52.22 H new ATOM 0 HG LEU A 60 -9.148 -0.992 3.253 1.00 22.21 H new ATOM 0 HD11 LEU A 60 -11.019 -2.524 2.790 1.00 1.00 H new ATOM 0 HD12 LEU A 60 -9.599 -2.881 1.779 1.00 1.00 H new ATOM 0 HD13 LEU A 60 -9.974 -3.910 3.181 1.00 1.00 H new ATOM 0 HD21 LEU A 60 -10.742 -1.571 5.050 1.00 21.21 H new ATOM 0 HD22 LEU A 60 -9.675 -2.902 5.558 1.00 21.21 H new ATOM 0 HD23 LEU A 60 -9.120 -1.216 5.690 1.00 21.21 H new ATOM 917 N ASN A 61 -7.877 -0.945 0.682 1.00 55.23 N ATOM 918 CA ASN A 61 -8.148 0.340 0.020 1.00 42.30 C ATOM 919 C ASN A 61 -9.487 0.945 0.491 1.00 31.23 C ATOM 920 O ASN A 61 -10.457 0.221 0.728 1.00 52.11 O ATOM 921 CB ASN A 61 -8.146 0.151 -1.501 1.00 13.10 C ATOM 922 CG ASN A 61 -8.509 1.421 -2.247 1.00 31.10 C ATOM 923 OD1 ASN A 61 -9.662 1.635 -2.604 1.00 43.51 O ATOM 924 ND2 ASN A 61 -7.541 2.282 -2.474 1.00 72.24 N ATOM 0 H ASN A 61 -8.344 -1.744 0.254 1.00 55.23 H new ATOM 0 HA ASN A 61 -7.359 1.040 0.294 1.00 42.30 H new ATOM 0 HB2 ASN A 61 -7.159 -0.184 -1.820 1.00 13.10 H new ATOM 0 HB3 ASN A 61 -8.852 -0.636 -1.767 1.00 13.10 H new ATOM 0 HD21 ASN A 61 -7.740 3.157 -2.960 1.00 72.24 H new ATOM 0 HD22 ASN A 61 -6.591 2.075 -2.164 1.00 72.24 H new ATOM 931 N GLU A 62 -9.538 2.274 0.617 1.00 14.42 N ATOM 932 CA GLU A 62 -10.730 2.958 1.143 1.00 73.11 C ATOM 933 C GLU A 62 -11.854 3.105 0.100 1.00 25.42 C ATOM 934 O GLU A 62 -12.999 2.735 0.366 1.00 35.31 O ATOM 935 CB GLU A 62 -10.353 4.336 1.712 1.00 12.32 C ATOM 936 CG GLU A 62 -9.696 4.279 3.088 1.00 13.24 C ATOM 937 CD GLU A 62 -10.641 3.748 4.158 1.00 31.54 C ATOM 938 OE1 GLU A 62 -11.421 4.549 4.722 1.00 31.52 O ATOM 939 OE2 GLU A 62 -10.627 2.529 4.424 1.00 72.22 O ATOM 0 H GLU A 62 -8.772 2.899 0.364 1.00 14.42 H new ATOM 0 HA GLU A 62 -11.121 2.326 1.940 1.00 73.11 H new ATOM 0 HB2 GLU A 62 -9.675 4.832 1.017 1.00 12.32 H new ATOM 0 HB3 GLU A 62 -11.251 4.950 1.774 1.00 12.32 H new ATOM 0 HG2 GLU A 62 -8.812 3.644 3.040 1.00 13.24 H new ATOM 0 HG3 GLU A 62 -9.357 5.276 3.368 1.00 13.24 H new ATOM 946 N ARG A 63 -11.540 3.650 -1.073 1.00 23.21 N ATOM 947 CA ARG A 63 -12.563 3.913 -2.100 1.00 51.32 C ATOM 948 C ARG A 63 -13.246 2.629 -2.606 1.00 10.22 C ATOM 949 O ARG A 63 -14.456 2.608 -2.843 1.00 40.14 O ATOM 950 CB ARG A 63 -11.962 4.671 -3.292 1.00 64.14 C ATOM 951 CG ARG A 63 -12.958 4.894 -4.426 1.00 42.12 C ATOM 952 CD ARG A 63 -12.353 5.668 -5.587 1.00 20.34 C ATOM 953 NE ARG A 63 -13.270 5.726 -6.723 1.00 0.13 N ATOM 954 CZ ARG A 63 -13.236 6.632 -7.660 1.00 71.10 C ATOM 955 NH1 ARG A 63 -12.374 7.596 -7.622 1.00 31.23 N ATOM 956 NH2 ARG A 63 -14.081 6.574 -8.637 1.00 24.24 N ATOM 0 H ARG A 63 -10.593 3.919 -1.342 1.00 23.21 H new ATOM 0 HA ARG A 63 -13.323 4.527 -1.617 1.00 51.32 H new ATOM 0 HB2 ARG A 63 -11.589 5.636 -2.950 1.00 64.14 H new ATOM 0 HB3 ARG A 63 -11.105 4.115 -3.673 1.00 64.14 H new ATOM 0 HG2 ARG A 63 -13.318 3.930 -4.784 1.00 42.12 H new ATOM 0 HG3 ARG A 63 -13.824 5.435 -4.044 1.00 42.12 H new ATOM 0 HD2 ARG A 63 -12.107 6.679 -5.264 1.00 20.34 H new ATOM 0 HD3 ARG A 63 -11.420 5.196 -5.894 1.00 20.34 H new ATOM 0 HE ARG A 63 -13.989 5.005 -6.788 1.00 0.13 H new ATOM 0 HH11 ARG A 63 -11.708 7.655 -6.851 1.00 31.23 H new ATOM 0 HH12 ARG A 63 -12.360 8.297 -8.363 1.00 31.23 H new ATOM 0 HH21 ARG A 63 -14.769 5.822 -8.672 1.00 24.24 H new ATOM 0 HH22 ARG A 63 -14.059 7.280 -9.373 1.00 24.24 H new ATOM 970 N THR A 64 -12.472 1.570 -2.796 1.00 61.31 N ATOM 971 CA THR A 64 -13.008 0.310 -3.333 1.00 3.04 C ATOM 972 C THR A 64 -13.448 -0.648 -2.222 1.00 14.52 C ATOM 973 O THR A 64 -14.193 -1.593 -2.475 1.00 52.33 O ATOM 974 CB THR A 64 -11.967 -0.414 -4.216 1.00 3.22 C ATOM 975 OG1 THR A 64 -10.828 -0.790 -3.425 1.00 33.20 O ATOM 976 CG2 THR A 64 -11.514 0.471 -5.376 1.00 63.25 C ATOM 0 H THR A 64 -11.473 1.550 -2.590 1.00 61.31 H new ATOM 0 HA THR A 64 -13.876 0.584 -3.933 1.00 3.04 H new ATOM 0 HB THR A 64 -12.439 -1.306 -4.628 1.00 3.22 H new ATOM 0 HG1 THR A 64 -10.380 0.016 -3.092 1.00 33.20 H new ATOM 0 HG21 THR A 64 -10.782 -0.066 -5.979 1.00 63.25 H new ATOM 0 HG22 THR A 64 -12.374 0.729 -5.994 1.00 63.25 H new ATOM 0 HG23 THR A 64 -11.063 1.382 -4.984 1.00 63.25 H new ATOM 984 N ARG A 65 -12.981 -0.396 -0.994 1.00 51.32 N ATOM 985 CA ARG A 65 -13.225 -1.295 0.149 1.00 42.22 C ATOM 986 C ARG A 65 -12.659 -2.707 -0.109 1.00 55.43 C ATOM 987 O ARG A 65 -13.021 -3.665 0.576 1.00 64.53 O ATOM 988 CB ARG A 65 -14.731 -1.385 0.491 1.00 45.24 C ATOM 989 CG ARG A 65 -15.315 -0.137 1.162 1.00 72.30 C ATOM 990 CD ARG A 65 -15.519 1.021 0.188 1.00 31.50 C ATOM 991 NE ARG A 65 -16.525 0.721 -0.832 1.00 4.52 N ATOM 992 CZ ARG A 65 -17.122 1.623 -1.564 1.00 30.54 C ATOM 993 NH1 ARG A 65 -16.829 2.879 -1.437 1.00 52.44 N ATOM 994 NH2 ARG A 65 -18.011 1.259 -2.430 1.00 45.31 N ATOM 0 H ARG A 65 -12.427 0.429 -0.761 1.00 51.32 H new ATOM 0 HA ARG A 65 -12.703 -0.864 1.003 1.00 42.22 H new ATOM 0 HB2 ARG A 65 -15.286 -1.580 -0.426 1.00 45.24 H new ATOM 0 HB3 ARG A 65 -14.889 -2.241 1.147 1.00 45.24 H new ATOM 0 HG2 ARG A 65 -16.270 -0.391 1.622 1.00 72.30 H new ATOM 0 HG3 ARG A 65 -14.650 0.183 1.964 1.00 72.30 H new ATOM 0 HD2 ARG A 65 -15.821 1.910 0.742 1.00 31.50 H new ATOM 0 HD3 ARG A 65 -14.572 1.255 -0.298 1.00 31.50 H new ATOM 0 HE ARG A 65 -16.776 -0.256 -0.981 1.00 4.52 H new ATOM 0 HH11 ARG A 65 -16.125 3.173 -0.760 1.00 52.44 H new ATOM 0 HH12 ARG A 65 -17.302 3.574 -2.014 1.00 52.44 H new ATOM 0 HH21 ARG A 65 -18.243 0.272 -2.539 1.00 45.31 H new ATOM 0 HH22 ARG A 65 -18.480 1.959 -3.004 1.00 45.31 H new ATOM 1008 N GLN A 66 -11.753 -2.827 -1.083 1.00 64.14 N ATOM 1009 CA GLN A 66 -11.196 -4.129 -1.472 1.00 44.41 C ATOM 1010 C GLN A 66 -9.822 -4.385 -0.834 1.00 4.13 C ATOM 1011 O GLN A 66 -9.125 -3.455 -0.418 1.00 23.31 O ATOM 1012 CB GLN A 66 -11.097 -4.221 -2.999 1.00 63.20 C ATOM 1013 CG GLN A 66 -12.451 -4.122 -3.700 1.00 11.42 C ATOM 1014 CD GLN A 66 -12.344 -4.147 -5.214 1.00 54.23 C ATOM 1015 OE1 GLN A 66 -11.436 -4.747 -5.777 1.00 40.01 O ATOM 1016 NE2 GLN A 66 -13.289 -3.518 -5.889 1.00 50.11 N ATOM 0 H GLN A 66 -11.388 -2.039 -1.618 1.00 64.14 H new ATOM 0 HA GLN A 66 -11.873 -4.900 -1.103 1.00 44.41 H new ATOM 0 HB2 GLN A 66 -10.448 -3.424 -3.363 1.00 63.20 H new ATOM 0 HB3 GLN A 66 -10.624 -5.165 -3.269 1.00 63.20 H new ATOM 0 HG2 GLN A 66 -13.083 -4.948 -3.373 1.00 11.42 H new ATOM 0 HG3 GLN A 66 -12.946 -3.201 -3.392 1.00 11.42 H new ATOM 0 HE21 GLN A 66 -14.031 -3.028 -5.390 1.00 50.11 H new ATOM 0 HE22 GLN A 66 -13.276 -3.523 -6.909 1.00 50.11 H new ATOM 1025 N ARG A 67 -9.443 -5.660 -0.767 1.00 43.12 N ATOM 1026 CA ARG A 67 -8.185 -6.079 -0.137 1.00 22.23 C ATOM 1027 C ARG A 67 -7.293 -6.846 -1.127 1.00 72.42 C ATOM 1028 O ARG A 67 -7.765 -7.731 -1.845 1.00 61.14 O ATOM 1029 CB ARG A 67 -8.496 -6.970 1.073 1.00 5.51 C ATOM 1030 CG ARG A 67 -9.466 -6.334 2.063 1.00 73.23 C ATOM 1031 CD ARG A 67 -9.899 -7.311 3.150 1.00 2.41 C ATOM 1032 NE ARG A 67 -8.776 -7.755 3.976 1.00 53.04 N ATOM 1033 CZ ARG A 67 -8.887 -8.114 5.225 1.00 12.02 C ATOM 1034 NH1 ARG A 67 -10.038 -8.123 5.813 1.00 53.04 N ATOM 1035 NH2 ARG A 67 -7.842 -8.485 5.880 1.00 63.10 N ATOM 0 H ARG A 67 -9.994 -6.431 -1.145 1.00 43.12 H new ATOM 0 HA ARG A 67 -7.646 -5.187 0.183 1.00 22.23 H new ATOM 0 HB2 ARG A 67 -8.914 -7.913 0.722 1.00 5.51 H new ATOM 0 HB3 ARG A 67 -7.565 -7.206 1.589 1.00 5.51 H new ATOM 0 HG2 ARG A 67 -8.996 -5.465 2.524 1.00 73.23 H new ATOM 0 HG3 ARG A 67 -10.345 -5.974 1.528 1.00 73.23 H new ATOM 0 HD2 ARG A 67 -10.649 -6.837 3.784 1.00 2.41 H new ATOM 0 HD3 ARG A 67 -10.373 -8.177 2.689 1.00 2.41 H new ATOM 0 HE ARG A 67 -7.850 -7.786 3.549 1.00 53.04 H new ATOM 0 HH11 ARG A 67 -10.875 -7.847 5.300 1.00 53.04 H new ATOM 0 HH12 ARG A 67 -10.109 -8.406 6.790 1.00 53.04 H new ATOM 0 HH21 ARG A 67 -6.931 -8.497 5.422 1.00 63.10 H new ATOM 0 HH22 ARG A 67 -7.926 -8.766 6.857 1.00 63.10 H new ATOM 1049 N GLY A 68 -6.003 -6.521 -1.154 1.00 64.25 N ATOM 1050 CA GLY A 68 -5.081 -7.204 -2.059 1.00 1.11 C ATOM 1051 C GLY A 68 -3.701 -6.558 -2.104 1.00 73.33 C ATOM 1052 O GLY A 68 -3.401 -5.662 -1.315 1.00 3.23 O ATOM 0 H GLY A 68 -5.577 -5.801 -0.570 1.00 64.25 H new ATOM 0 HA2 GLY A 68 -4.979 -8.244 -1.748 1.00 1.11 H new ATOM 0 HA3 GLY A 68 -5.505 -7.212 -3.063 1.00 1.11 H new ATOM 1056 N ASP A 69 -2.862 -7.015 -3.026 1.00 22.31 N ATOM 1057 CA ASP A 69 -1.510 -6.475 -3.187 1.00 32.40 C ATOM 1058 C ASP A 69 -1.498 -5.284 -4.162 1.00 25.04 C ATOM 1059 O ASP A 69 -1.909 -5.414 -5.315 1.00 51.30 O ATOM 1060 CB ASP A 69 -0.568 -7.574 -3.693 1.00 43.50 C ATOM 1061 CG ASP A 69 -0.475 -8.747 -2.730 1.00 15.32 C ATOM 1062 OD1 ASP A 69 -1.494 -9.440 -2.527 1.00 0.13 O ATOM 1063 OD2 ASP A 69 0.621 -8.993 -2.177 1.00 24.04 O ATOM 0 H ASP A 69 -3.093 -7.763 -3.679 1.00 22.31 H new ATOM 0 HA ASP A 69 -1.167 -6.120 -2.215 1.00 32.40 H new ATOM 0 HB2 ASP A 69 -0.917 -7.930 -4.662 1.00 43.50 H new ATOM 0 HB3 ASP A 69 0.426 -7.154 -3.847 1.00 43.50 H new ATOM 1068 N PHE A 70 -1.037 -4.125 -3.689 1.00 41.11 N ATOM 1069 CA PHE A 70 -0.936 -2.924 -4.530 1.00 61.02 C ATOM 1070 C PHE A 70 0.531 -2.545 -4.781 1.00 43.14 C ATOM 1071 O PHE A 70 1.380 -2.705 -3.900 1.00 21.23 O ATOM 1072 CB PHE A 70 -1.677 -1.739 -3.877 1.00 44.31 C ATOM 1073 CG PHE A 70 -1.105 -1.286 -2.552 1.00 31.53 C ATOM 1074 CD1 PHE A 70 -1.483 -1.902 -1.367 1.00 53.42 C ATOM 1075 CD2 PHE A 70 -0.197 -0.235 -2.493 1.00 63.44 C ATOM 1076 CE1 PHE A 70 -0.968 -1.482 -0.154 1.00 73.42 C ATOM 1077 CE2 PHE A 70 0.320 0.187 -1.282 1.00 32.44 C ATOM 1078 CZ PHE A 70 -0.066 -0.438 -0.112 1.00 71.13 C ATOM 0 H PHE A 70 -0.726 -3.989 -2.727 1.00 41.11 H new ATOM 0 HA PHE A 70 -1.404 -3.152 -5.488 1.00 61.02 H new ATOM 0 HB2 PHE A 70 -1.666 -0.896 -4.568 1.00 44.31 H new ATOM 0 HB3 PHE A 70 -2.721 -2.018 -3.730 1.00 44.31 H new ATOM 0 HD1 PHE A 70 -2.188 -2.720 -1.392 1.00 53.42 H new ATOM 0 HD2 PHE A 70 0.108 0.258 -3.404 1.00 63.44 H new ATOM 0 HE1 PHE A 70 -1.272 -1.971 0.760 1.00 73.42 H new ATOM 0 HE2 PHE A 70 1.025 1.005 -1.251 1.00 32.44 H new ATOM 0 HZ PHE A 70 0.338 -0.110 0.835 1.00 71.13 H new ATOM 1088 N PRO A 71 0.857 -2.044 -5.988 1.00 2.43 N ATOM 1089 CA PRO A 71 2.207 -1.544 -6.291 1.00 12.44 C ATOM 1090 C PRO A 71 2.544 -0.275 -5.484 1.00 12.20 C ATOM 1091 O PRO A 71 2.064 0.820 -5.791 1.00 60.03 O ATOM 1092 CB PRO A 71 2.151 -1.245 -7.799 1.00 62.11 C ATOM 1093 CG PRO A 71 0.702 -1.038 -8.095 1.00 50.21 C ATOM 1094 CD PRO A 71 -0.049 -1.940 -7.151 1.00 30.43 C ATOM 0 HA PRO A 71 2.984 -2.261 -6.026 1.00 12.44 H new ATOM 0 HB2 PRO A 71 2.736 -0.360 -8.048 1.00 62.11 H new ATOM 0 HB3 PRO A 71 2.559 -2.071 -8.381 1.00 62.11 H new ATOM 0 HG2 PRO A 71 0.419 0.004 -7.947 1.00 50.21 H new ATOM 0 HG3 PRO A 71 0.477 -1.285 -9.132 1.00 50.21 H new ATOM 0 HD2 PRO A 71 -1.014 -1.517 -6.873 1.00 30.43 H new ATOM 0 HD3 PRO A 71 -0.245 -2.915 -7.597 1.00 30.43 H new ATOM 1102 N GLY A 72 3.371 -0.426 -4.448 1.00 2.33 N ATOM 1103 CA GLY A 72 3.696 0.693 -3.564 1.00 70.41 C ATOM 1104 C GLY A 72 4.663 1.711 -4.169 1.00 73.43 C ATOM 1105 O GLY A 72 5.507 2.262 -3.469 1.00 4.40 O ATOM 0 H GLY A 72 3.825 -1.306 -4.202 1.00 2.33 H new ATOM 0 HA2 GLY A 72 2.773 1.204 -3.290 1.00 70.41 H new ATOM 0 HA3 GLY A 72 4.129 0.300 -2.644 1.00 70.41 H new ATOM 1109 N THR A 73 4.542 1.971 -5.467 1.00 42.44 N ATOM 1110 CA THR A 73 5.393 2.957 -6.146 1.00 54.25 C ATOM 1111 C THR A 73 4.625 4.253 -6.427 1.00 55.01 C ATOM 1112 O THR A 73 5.202 5.339 -6.455 1.00 4.53 O ATOM 1113 CB THR A 73 5.931 2.408 -7.487 1.00 52.10 C ATOM 1114 OG1 THR A 73 4.850 2.240 -8.416 1.00 54.14 O ATOM 1115 CG2 THR A 73 6.642 1.071 -7.287 1.00 41.21 C ATOM 0 H THR A 73 3.863 1.514 -6.076 1.00 42.44 H new ATOM 0 HA THR A 73 6.227 3.163 -5.475 1.00 54.25 H new ATOM 0 HB THR A 73 6.648 3.127 -7.883 1.00 52.10 H new ATOM 0 HG1 THR A 73 5.198 1.893 -9.264 1.00 54.14 H new ATOM 0 HG21 THR A 73 7.010 0.708 -8.246 1.00 41.21 H new ATOM 0 HG22 THR A 73 7.480 1.203 -6.603 1.00 41.21 H new ATOM 0 HG23 THR A 73 5.943 0.346 -6.869 1.00 41.21 H new ATOM 1123 N TYR A 74 3.312 4.128 -6.630 1.00 12.41 N ATOM 1124 CA TYR A 74 2.452 5.280 -6.929 1.00 60.34 C ATOM 1125 C TYR A 74 1.818 5.861 -5.652 1.00 34.52 C ATOM 1126 O TYR A 74 0.911 6.691 -5.729 1.00 24.14 O ATOM 1127 CB TYR A 74 1.329 4.866 -7.891 1.00 1.32 C ATOM 1128 CG TYR A 74 1.788 4.069 -9.100 1.00 60.03 C ATOM 1129 CD1 TYR A 74 2.538 4.660 -10.112 1.00 71.04 C ATOM 1130 CD2 TYR A 74 1.460 2.722 -9.231 1.00 75.43 C ATOM 1131 CE1 TYR A 74 2.946 3.933 -11.215 1.00 31.42 C ATOM 1132 CE2 TYR A 74 1.862 1.994 -10.333 1.00 74.21 C ATOM 1133 CZ TYR A 74 2.604 2.602 -11.321 1.00 52.14 C ATOM 1134 OH TYR A 74 2.998 1.876 -12.420 1.00 14.10 O ATOM 0 H TYR A 74 2.817 3.237 -6.593 1.00 12.41 H new ATOM 0 HA TYR A 74 3.081 6.043 -7.388 1.00 60.34 H new ATOM 0 HB2 TYR A 74 0.597 4.275 -7.340 1.00 1.32 H new ATOM 0 HB3 TYR A 74 0.817 5.764 -8.238 1.00 1.32 H new ATOM 0 HD1 TYR A 74 2.806 5.703 -10.035 1.00 71.04 H new ATOM 0 HD2 TYR A 74 0.881 2.239 -8.458 1.00 75.43 H new ATOM 0 HE1 TYR A 74 3.530 4.406 -11.990 1.00 31.42 H new ATOM 0 HE2 TYR A 74 1.595 0.951 -10.420 1.00 74.21 H new ATOM 0 HH TYR A 74 2.675 0.955 -12.336 1.00 14.10 H new ATOM 1144 N VAL A 75 2.290 5.426 -4.484 1.00 21.12 N ATOM 1145 CA VAL A 75 1.679 5.822 -3.204 1.00 34.33 C ATOM 1146 C VAL A 75 2.659 6.594 -2.301 1.00 62.33 C ATOM 1147 O VAL A 75 3.860 6.322 -2.290 1.00 35.54 O ATOM 1148 CB VAL A 75 1.147 4.583 -2.427 1.00 44.25 C ATOM 1149 CG1 VAL A 75 0.129 3.806 -3.262 1.00 2.23 C ATOM 1150 CG2 VAL A 75 2.295 3.675 -1.992 1.00 63.40 C ATOM 0 H VAL A 75 3.091 4.801 -4.392 1.00 21.12 H new ATOM 0 HA VAL A 75 0.849 6.482 -3.457 1.00 34.33 H new ATOM 0 HB VAL A 75 0.643 4.944 -1.531 1.00 44.25 H new ATOM 0 HG11 VAL A 75 -0.226 2.946 -2.695 1.00 2.23 H new ATOM 0 HG12 VAL A 75 -0.714 4.454 -3.504 1.00 2.23 H new ATOM 0 HG13 VAL A 75 0.600 3.464 -4.184 1.00 2.23 H new ATOM 0 HG21 VAL A 75 1.895 2.817 -1.451 1.00 63.40 H new ATOM 0 HG22 VAL A 75 2.838 3.329 -2.871 1.00 63.40 H new ATOM 0 HG23 VAL A 75 2.972 4.230 -1.343 1.00 63.40 H new ATOM 1160 N GLU A 76 2.135 7.564 -1.549 1.00 1.34 N ATOM 1161 CA GLU A 76 2.928 8.294 -0.552 1.00 52.12 C ATOM 1162 C GLU A 76 2.800 7.640 0.835 1.00 54.54 C ATOM 1163 O GLU A 76 1.972 6.749 1.042 1.00 70.45 O ATOM 1164 CB GLU A 76 2.481 9.767 -0.467 1.00 60.11 C ATOM 1165 CG GLU A 76 1.103 9.972 0.169 1.00 51.32 C ATOM 1166 CD GLU A 76 0.741 11.444 0.344 1.00 31.11 C ATOM 1167 OE1 GLU A 76 1.515 12.173 1.004 1.00 21.11 O ATOM 1168 OE2 GLU A 76 -0.318 11.877 -0.161 1.00 0.01 O ATOM 0 H GLU A 76 1.162 7.864 -1.610 1.00 1.34 H new ATOM 0 HA GLU A 76 3.970 8.256 -0.869 1.00 52.12 H new ATOM 0 HB2 GLU A 76 3.220 10.326 0.107 1.00 60.11 H new ATOM 0 HB3 GLU A 76 2.471 10.190 -1.472 1.00 60.11 H new ATOM 0 HG2 GLU A 76 0.347 9.489 -0.450 1.00 51.32 H new ATOM 0 HG3 GLU A 76 1.081 9.480 1.141 1.00 51.32 H new ATOM 1175 N PHE A 77 3.620 8.093 1.782 1.00 63.54 N ATOM 1176 CA PHE A 77 3.579 7.587 3.160 1.00 63.42 C ATOM 1177 C PHE A 77 2.864 8.583 4.091 1.00 71.13 C ATOM 1178 O PHE A 77 3.180 9.776 4.096 1.00 0.24 O ATOM 1179 CB PHE A 77 5.005 7.318 3.661 1.00 51.40 C ATOM 1180 CG PHE A 77 5.068 6.748 5.057 1.00 32.11 C ATOM 1181 CD1 PHE A 77 4.661 5.444 5.306 1.00 72.23 C ATOM 1182 CD2 PHE A 77 5.534 7.513 6.119 1.00 34.14 C ATOM 1183 CE1 PHE A 77 4.718 4.917 6.581 1.00 11.11 C ATOM 1184 CE2 PHE A 77 5.593 6.988 7.395 1.00 54.23 C ATOM 1185 CZ PHE A 77 5.186 5.689 7.626 1.00 61.50 C ATOM 0 H PHE A 77 4.325 8.813 1.623 1.00 63.54 H new ATOM 0 HA PHE A 77 3.016 6.654 3.168 1.00 63.42 H new ATOM 0 HB2 PHE A 77 5.496 6.627 2.975 1.00 51.40 H new ATOM 0 HB3 PHE A 77 5.570 8.250 3.634 1.00 51.40 H new ATOM 0 HD1 PHE A 77 4.295 4.835 4.493 1.00 72.23 H new ATOM 0 HD2 PHE A 77 5.854 8.530 5.945 1.00 34.14 H new ATOM 0 HE1 PHE A 77 4.397 3.902 6.761 1.00 11.11 H new ATOM 0 HE2 PHE A 77 5.957 7.593 8.212 1.00 54.23 H new ATOM 0 HZ PHE A 77 5.234 5.277 8.623 1.00 61.50 H new ATOM 1195 N LEU A 78 1.897 8.091 4.869 1.00 62.21 N ATOM 1196 CA LEU A 78 1.116 8.948 5.779 1.00 54.44 C ATOM 1197 C LEU A 78 1.633 8.878 7.226 1.00 71.15 C ATOM 1198 O LEU A 78 1.866 9.908 7.864 1.00 23.42 O ATOM 1199 CB LEU A 78 -0.366 8.547 5.738 1.00 52.35 C ATOM 1200 CG LEU A 78 -1.054 8.697 4.372 1.00 63.15 C ATOM 1201 CD1 LEU A 78 -2.512 8.256 4.451 1.00 30.20 C ATOM 1202 CD2 LEU A 78 -0.949 10.135 3.869 1.00 11.21 C ATOM 0 H LEU A 78 1.633 7.106 4.891 1.00 62.21 H new ATOM 0 HA LEU A 78 1.231 9.976 5.436 1.00 54.44 H new ATOM 0 HB2 LEU A 78 -0.452 7.508 6.057 1.00 52.35 H new ATOM 0 HB3 LEU A 78 -0.908 9.150 6.467 1.00 52.35 H new ATOM 0 HG LEU A 78 -0.542 8.050 3.660 1.00 63.15 H new ATOM 0 HD11 LEU A 78 -2.980 8.370 3.473 1.00 30.20 H new ATOM 0 HD12 LEU A 78 -2.560 7.211 4.756 1.00 30.20 H new ATOM 0 HD13 LEU A 78 -3.039 8.871 5.180 1.00 30.20 H new ATOM 0 HD21 LEU A 78 -1.443 10.219 2.901 1.00 11.21 H new ATOM 0 HD22 LEU A 78 -1.430 10.806 4.581 1.00 11.21 H new ATOM 0 HD23 LEU A 78 0.101 10.409 3.766 1.00 11.21 H new ATOM 1214 N GLY A 79 1.788 7.664 7.749 1.00 61.23 N ATOM 1215 CA GLY A 79 2.276 7.497 9.117 1.00 14.45 C ATOM 1216 C GLY A 79 1.847 6.179 9.763 1.00 34.21 C ATOM 1217 O GLY A 79 1.242 5.328 9.108 1.00 21.15 O ATOM 0 H GLY A 79 1.587 6.794 7.256 1.00 61.23 H new ATOM 0 HA2 GLY A 79 3.365 7.554 9.115 1.00 14.45 H new ATOM 0 HA3 GLY A 79 1.915 8.325 9.726 1.00 14.45 H new ATOM 1221 N PRO A 80 2.164 5.979 11.059 1.00 30.15 N ATOM 1222 CA PRO A 80 1.818 4.749 11.788 1.00 75.21 C ATOM 1223 C PRO A 80 0.382 4.739 12.352 1.00 5.01 C ATOM 1224 O PRO A 80 -0.160 5.776 12.738 1.00 1.21 O ATOM 1225 CB PRO A 80 2.843 4.746 12.926 1.00 72.23 C ATOM 1226 CG PRO A 80 3.075 6.192 13.221 1.00 64.11 C ATOM 1227 CD PRO A 80 2.908 6.930 11.911 1.00 12.23 C ATOM 0 HA PRO A 80 1.846 3.873 11.139 1.00 75.21 H new ATOM 0 HB2 PRO A 80 2.464 4.218 13.801 1.00 72.23 H new ATOM 0 HB3 PRO A 80 3.766 4.248 12.628 1.00 72.23 H new ATOM 0 HG2 PRO A 80 2.365 6.555 13.964 1.00 64.11 H new ATOM 0 HG3 PRO A 80 4.073 6.349 13.630 1.00 64.11 H new ATOM 0 HD2 PRO A 80 2.358 7.861 12.045 1.00 12.23 H new ATOM 0 HD3 PRO A 80 3.872 7.189 11.473 1.00 12.23 H new ATOM 1235 N LEU A 81 -0.222 3.551 12.393 1.00 45.33 N ATOM 1236 CA LEU A 81 -1.552 3.360 12.986 1.00 54.21 C ATOM 1237 C LEU A 81 -1.473 3.320 14.516 1.00 21.02 C ATOM 1238 O LEU A 81 -0.845 2.428 15.086 1.00 20.41 O ATOM 1239 CB LEU A 81 -2.179 2.051 12.479 1.00 74.01 C ATOM 1240 CG LEU A 81 -2.595 2.041 11.004 1.00 45.31 C ATOM 1241 CD1 LEU A 81 -3.032 0.638 10.582 1.00 21.25 C ATOM 1242 CD2 LEU A 81 -3.711 3.056 10.760 1.00 61.55 C ATOM 0 H LEU A 81 0.191 2.697 12.019 1.00 45.33 H new ATOM 0 HA LEU A 81 -2.173 4.205 12.687 1.00 54.21 H new ATOM 0 HB2 LEU A 81 -1.467 1.242 12.642 1.00 74.01 H new ATOM 0 HB3 LEU A 81 -3.057 1.831 13.087 1.00 74.01 H new ATOM 0 HG LEU A 81 -1.736 2.326 10.396 1.00 45.31 H new ATOM 0 HD11 LEU A 81 -3.324 0.648 9.532 1.00 21.25 H new ATOM 0 HD12 LEU A 81 -2.205 -0.058 10.722 1.00 21.25 H new ATOM 0 HD13 LEU A 81 -3.879 0.322 11.191 1.00 21.25 H new ATOM 0 HD21 LEU A 81 -3.996 3.038 9.708 1.00 61.55 H new ATOM 0 HD22 LEU A 81 -4.575 2.802 11.374 1.00 61.55 H new ATOM 0 HD23 LEU A 81 -3.359 4.054 11.023 1.00 61.55 H new