USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 337 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 18 MET CE :methyl -133:sc= -3.63! (180deg=-3!) USER MOD Set 1.2: A 21 MET CE :methyl -177:sc= -4.6! (180deg=-4.73!) USER MOD Single : A 14 SER OG : rot -100:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.865 K(o=-0.86,f=-5.5!) USER MOD Single : A 36 THR OG1 : rot 77:sc= 0.843 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.11) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 57:sc= -0.271 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ALA A 7 0.793 -12.844 -3.197 1.00 41.12 N ATOM 75 CA ALA A 7 0.048 -14.056 -3.516 1.00 44.30 C ATOM 76 C ALA A 7 -0.419 -14.762 -2.248 1.00 73.22 C ATOM 77 O ALA A 7 -0.224 -14.263 -1.140 1.00 15.31 O ATOM 78 CB ALA A 7 0.900 -14.992 -4.361 1.00 1.34 C ATOM 0 HA ALA A 7 -0.835 -13.771 -4.088 1.00 44.30 H new ATOM 0 HB1 ALA A 7 0.331 -15.893 -4.592 1.00 1.34 H new ATOM 0 HB2 ALA A 7 1.180 -14.492 -5.288 1.00 1.34 H new ATOM 0 HB3 ALA A 7 1.800 -15.263 -3.809 1.00 1.34 H new ATOM 84 N ASP A 8 -1.037 -15.926 -2.419 1.00 12.33 N ATOM 85 CA ASP A 8 -1.533 -16.701 -1.287 1.00 64.45 C ATOM 86 C ASP A 8 -0.969 -18.119 -1.312 1.00 10.30 C ATOM 87 O ASP A 8 -0.512 -18.614 -2.343 1.00 11.35 O ATOM 88 CB ASP A 8 -3.061 -16.747 -1.303 1.00 53.32 C ATOM 89 CG ASP A 8 -3.675 -15.971 -0.155 1.00 14.43 C ATOM 90 OD1 ASP A 8 -3.224 -14.835 0.103 1.00 3.01 O ATOM 91 OD2 ASP A 8 -4.608 -16.498 0.486 1.00 72.42 O ATOM 0 H ASP A 8 -1.206 -16.353 -3.330 1.00 12.33 H new ATOM 0 HA ASP A 8 -1.202 -16.213 -0.371 1.00 64.45 H new ATOM 0 HB2 ASP A 8 -3.424 -16.341 -2.247 1.00 53.32 H new ATOM 0 HB3 ASP A 8 -3.391 -17.785 -1.254 1.00 53.32 H new ATOM 96 N PRO A 9 -1.000 -18.788 -0.150 1.00 72.42 N ATOM 97 CA PRO A 9 -0.496 -20.158 -0.012 1.00 40.03 C ATOM 98 C PRO A 9 -1.374 -21.174 -0.734 1.00 62.44 C ATOM 99 O PRO A 9 -0.883 -22.185 -1.239 1.00 15.31 O ATOM 100 CB PRO A 9 -0.532 -20.399 1.499 1.00 2.40 C ATOM 101 CG PRO A 9 -1.584 -19.473 2.005 1.00 31.40 C ATOM 102 CD PRO A 9 -1.531 -18.260 1.118 1.00 65.40 C ATOM 0 HA PRO A 9 0.494 -20.274 -0.453 1.00 40.03 H new ATOM 0 HB2 PRO A 9 -0.774 -21.437 1.729 1.00 2.40 H new ATOM 0 HB3 PRO A 9 0.435 -20.188 1.957 1.00 2.40 H new ATOM 0 HG2 PRO A 9 -2.567 -19.942 1.967 1.00 31.40 H new ATOM 0 HG3 PRO A 9 -1.399 -19.204 3.045 1.00 31.40 H new ATOM 0 HD2 PRO A 9 -2.517 -17.815 0.986 1.00 65.40 H new ATOM 0 HD3 PRO A 9 -0.885 -17.486 1.533 1.00 65.40 H new ATOM 110 N ARG A 10 -2.673 -20.900 -0.781 1.00 34.15 N ATOM 111 CA ARG A 10 -3.619 -21.792 -1.441 1.00 14.43 C ATOM 112 C ARG A 10 -3.791 -21.412 -2.909 1.00 25.03 C ATOM 113 O ARG A 10 -4.696 -21.901 -3.586 1.00 0.30 O ATOM 114 CB ARG A 10 -4.974 -21.749 -0.731 1.00 2.24 C ATOM 115 CG ARG A 10 -5.199 -22.912 0.222 1.00 1.51 C ATOM 116 CD ARG A 10 -4.322 -22.796 1.459 1.00 12.23 C ATOM 117 NE ARG A 10 -4.856 -23.562 2.582 1.00 31.11 N ATOM 118 CZ ARG A 10 -4.263 -23.638 3.768 1.00 11.33 C ATOM 119 NH1 ARG A 10 -3.123 -22.996 3.985 1.00 32.44 N ATOM 120 NH2 ARG A 10 -4.811 -24.355 4.741 1.00 61.53 N ATOM 0 H ARG A 10 -3.095 -20.067 -0.370 1.00 34.15 H new ATOM 0 HA ARG A 10 -3.221 -22.805 -1.389 1.00 14.43 H new ATOM 0 HB2 ARG A 10 -5.054 -20.814 -0.176 1.00 2.24 H new ATOM 0 HB3 ARG A 10 -5.767 -21.745 -1.479 1.00 2.24 H new ATOM 0 HG2 ARG A 10 -6.247 -22.943 0.519 1.00 1.51 H new ATOM 0 HG3 ARG A 10 -4.985 -23.850 -0.290 1.00 1.51 H new ATOM 0 HD2 ARG A 10 -3.317 -23.148 1.225 1.00 12.23 H new ATOM 0 HD3 ARG A 10 -4.234 -21.748 1.744 1.00 12.23 H new ATOM 0 HE ARG A 10 -5.732 -24.066 2.448 1.00 31.11 H new ATOM 0 HH11 ARG A 10 -2.700 -22.442 3.240 1.00 32.44 H new ATOM 0 HH12 ARG A 10 -2.670 -23.056 4.897 1.00 32.44 H new ATOM 0 HH21 ARG A 10 -5.689 -24.849 4.579 1.00 61.53 H new ATOM 0 HH22 ARG A 10 -4.354 -24.413 5.651 1.00 61.53 H new ATOM 134 N LEU A 11 -2.916 -20.538 -3.394 1.00 41.01 N ATOM 135 CA LEU A 11 -2.970 -20.092 -4.782 1.00 2.10 C ATOM 136 C LEU A 11 -1.679 -20.440 -5.516 1.00 71.14 C ATOM 137 O LEU A 11 -1.709 -21.002 -6.612 1.00 10.22 O ATOM 138 CB LEU A 11 -3.214 -18.583 -4.844 1.00 75.23 C ATOM 139 CG LEU A 11 -3.115 -17.944 -6.230 1.00 4.34 C ATOM 140 CD1 LEU A 11 -4.279 -18.381 -7.104 1.00 53.44 C ATOM 141 CD2 LEU A 11 -3.071 -16.427 -6.115 1.00 1.11 C ATOM 0 H LEU A 11 -2.161 -20.124 -2.847 1.00 41.01 H new ATOM 0 HA LEU A 11 -3.796 -20.608 -5.272 1.00 2.10 H new ATOM 0 HB2 LEU A 11 -4.206 -18.379 -4.442 1.00 75.23 H new ATOM 0 HB3 LEU A 11 -2.496 -18.092 -4.187 1.00 75.23 H new ATOM 0 HG LEU A 11 -2.190 -18.280 -6.699 1.00 4.34 H new ATOM 0 HD11 LEU A 11 -4.191 -17.916 -8.086 1.00 53.44 H new ATOM 0 HD12 LEU A 11 -4.265 -19.465 -7.213 1.00 53.44 H new ATOM 0 HD13 LEU A 11 -5.217 -18.075 -6.640 1.00 53.44 H new ATOM 0 HD21 LEU A 11 -3.001 -15.989 -7.110 1.00 1.11 H new ATOM 0 HD22 LEU A 11 -3.978 -16.073 -5.626 1.00 1.11 H new ATOM 0 HD23 LEU A 11 -2.202 -16.132 -5.526 1.00 1.11 H new ATOM 153 N ILE A 12 -0.548 -20.105 -4.905 1.00 41.33 N ATOM 154 CA ILE A 12 0.753 -20.385 -5.500 1.00 21.11 C ATOM 155 C ILE A 12 0.874 -21.854 -5.890 1.00 21.31 C ATOM 156 O ILE A 12 1.581 -22.199 -6.837 1.00 12.44 O ATOM 157 CB ILE A 12 1.901 -20.025 -4.538 1.00 51.44 C ATOM 158 CG1 ILE A 12 1.793 -20.844 -3.251 1.00 23.41 C ATOM 159 CG2 ILE A 12 1.883 -18.535 -4.228 1.00 24.45 C ATOM 160 CD1 ILE A 12 2.633 -22.102 -3.264 1.00 24.34 C ATOM 0 H ILE A 12 -0.506 -19.639 -3.998 1.00 41.33 H new ATOM 0 HA ILE A 12 0.831 -19.766 -6.394 1.00 21.11 H new ATOM 0 HB ILE A 12 2.849 -20.265 -5.020 1.00 51.44 H new ATOM 0 HG12 ILE A 12 2.096 -20.223 -2.408 1.00 23.41 H new ATOM 0 HG13 ILE A 12 0.750 -21.115 -3.089 1.00 23.41 H new ATOM 0 HG21 ILE A 12 2.700 -18.295 -3.547 1.00 24.45 H new ATOM 0 HG22 ILE A 12 2.003 -17.970 -5.152 1.00 24.45 H new ATOM 0 HG23 ILE A 12 0.933 -18.272 -3.762 1.00 24.45 H new ATOM 0 HD11 ILE A 12 2.508 -22.633 -2.320 1.00 24.34 H new ATOM 0 HD12 ILE A 12 2.315 -22.743 -4.086 1.00 24.34 H new ATOM 0 HD13 ILE A 12 3.682 -21.838 -3.395 1.00 24.34 H new ATOM 172 N GLU A 13 0.178 -22.716 -5.154 1.00 41.44 N ATOM 173 CA GLU A 13 0.207 -24.148 -5.425 1.00 23.22 C ATOM 174 C GLU A 13 -0.155 -24.435 -6.879 1.00 52.21 C ATOM 175 O GLU A 13 0.470 -25.270 -7.533 1.00 35.13 O ATOM 176 CB GLU A 13 -0.756 -24.885 -4.493 1.00 34.44 C ATOM 177 CG GLU A 13 -2.186 -24.377 -4.569 1.00 50.41 C ATOM 178 CD GLU A 13 -3.063 -25.232 -5.462 1.00 61.43 C ATOM 179 OE1 GLU A 13 -2.515 -25.913 -6.355 1.00 4.33 O ATOM 180 OE2 GLU A 13 -4.297 -25.222 -5.270 1.00 4.15 O ATOM 0 H GLU A 13 -0.412 -22.447 -4.367 1.00 41.44 H new ATOM 0 HA GLU A 13 1.221 -24.505 -5.245 1.00 23.22 H new ATOM 0 HB2 GLU A 13 -0.743 -25.947 -4.738 1.00 34.44 H new ATOM 0 HB3 GLU A 13 -0.400 -24.790 -3.467 1.00 34.44 H new ATOM 0 HG2 GLU A 13 -2.612 -24.351 -3.566 1.00 50.41 H new ATOM 0 HG3 GLU A 13 -2.184 -23.353 -4.941 1.00 50.41 H new ATOM 187 N SER A 14 -1.170 -23.736 -7.379 1.00 24.13 N ATOM 188 CA SER A 14 -1.619 -23.918 -8.754 1.00 12.00 C ATOM 189 C SER A 14 -0.630 -23.297 -9.735 1.00 41.25 C ATOM 190 O SER A 14 -0.206 -23.938 -10.698 1.00 34.30 O ATOM 191 CB SER A 14 -3.004 -23.297 -8.946 1.00 71.05 C ATOM 192 OG SER A 14 -3.992 -24.025 -8.239 1.00 34.33 O ATOM 0 H SER A 14 -1.696 -23.039 -6.852 1.00 24.13 H new ATOM 0 HA SER A 14 -1.677 -24.988 -8.953 1.00 12.00 H new ATOM 0 HB2 SER A 14 -2.993 -22.263 -8.601 1.00 71.05 H new ATOM 0 HB3 SER A 14 -3.253 -23.276 -10.007 1.00 71.05 H new ATOM 0 HG SER A 14 -4.468 -24.616 -8.858 1.00 34.33 H new ATOM 198 N LEU A 15 -0.266 -22.044 -9.485 1.00 63.11 N ATOM 199 CA LEU A 15 0.674 -21.334 -10.346 1.00 21.12 C ATOM 200 C LEU A 15 1.914 -22.181 -10.613 1.00 4.30 C ATOM 201 O LEU A 15 2.391 -22.261 -11.745 1.00 23.21 O ATOM 202 CB LEU A 15 1.078 -20.005 -9.706 1.00 3.14 C ATOM 203 CG LEU A 15 0.009 -18.912 -9.695 1.00 74.22 C ATOM 204 CD1 LEU A 15 -0.147 -18.331 -8.299 1.00 10.24 C ATOM 205 CD2 LEU A 15 0.354 -17.818 -10.695 1.00 21.21 C ATOM 0 H LEU A 15 -0.607 -21.499 -8.693 1.00 63.11 H new ATOM 0 HA LEU A 15 0.180 -21.137 -11.297 1.00 21.12 H new ATOM 0 HB2 LEU A 15 1.382 -20.198 -8.677 1.00 3.14 H new ATOM 0 HB3 LEU A 15 1.954 -19.623 -10.231 1.00 3.14 H new ATOM 0 HG LEU A 15 -0.941 -19.358 -9.988 1.00 74.22 H new ATOM 0 HD11 LEU A 15 -0.912 -17.555 -8.311 1.00 10.24 H new ATOM 0 HD12 LEU A 15 -0.442 -19.120 -7.607 1.00 10.24 H new ATOM 0 HD13 LEU A 15 0.801 -17.901 -7.976 1.00 10.24 H new ATOM 0 HD21 LEU A 15 -0.418 -17.049 -10.673 1.00 21.21 H new ATOM 0 HD22 LEU A 15 1.315 -17.375 -10.433 1.00 21.21 H new ATOM 0 HD23 LEU A 15 0.412 -18.245 -11.696 1.00 21.21 H new ATOM 217 N SER A 16 2.431 -22.812 -9.564 1.00 31.25 N ATOM 218 CA SER A 16 3.617 -23.652 -9.684 1.00 72.14 C ATOM 219 C SER A 16 3.463 -24.648 -10.830 1.00 51.21 C ATOM 220 O SER A 16 4.438 -25.007 -11.489 1.00 43.40 O ATOM 221 CB SER A 16 3.874 -24.400 -8.375 1.00 34.13 C ATOM 222 OG SER A 16 5.257 -24.649 -8.192 1.00 53.41 O ATOM 0 H SER A 16 2.047 -22.758 -8.621 1.00 31.25 H new ATOM 0 HA SER A 16 4.469 -23.006 -9.898 1.00 72.14 H new ATOM 0 HB2 SER A 16 3.493 -23.815 -7.538 1.00 34.13 H new ATOM 0 HB3 SER A 16 3.329 -25.344 -8.379 1.00 34.13 H new ATOM 0 HG SER A 16 5.394 -25.127 -7.347 1.00 53.41 H new ATOM 228 N GLN A 17 2.231 -25.089 -11.060 1.00 74.53 N ATOM 229 CA GLN A 17 1.948 -26.044 -12.126 1.00 24.35 C ATOM 230 C GLN A 17 1.860 -25.342 -13.477 1.00 21.24 C ATOM 231 O GLN A 17 2.335 -25.859 -14.488 1.00 34.15 O ATOM 232 CB GLN A 17 0.644 -26.790 -11.839 1.00 11.24 C ATOM 233 CG GLN A 17 0.516 -27.260 -10.399 1.00 11.03 C ATOM 234 CD GLN A 17 0.131 -28.723 -10.294 1.00 43.44 C ATOM 235 OE1 GLN A 17 0.486 -29.532 -11.151 1.00 60.45 O ATOM 236 NE2 GLN A 17 -0.598 -29.069 -9.240 1.00 73.54 N ATOM 0 H GLN A 17 1.413 -24.801 -10.523 1.00 74.53 H new ATOM 0 HA GLN A 17 2.768 -26.762 -12.163 1.00 24.35 H new ATOM 0 HB2 GLN A 17 -0.197 -26.139 -12.076 1.00 11.24 H new ATOM 0 HB3 GLN A 17 0.575 -27.653 -12.501 1.00 11.24 H new ATOM 0 HG2 GLN A 17 1.463 -27.100 -9.883 1.00 11.03 H new ATOM 0 HG3 GLN A 17 -0.232 -26.654 -9.888 1.00 11.03 H new ATOM 0 HE21 GLN A 17 -0.870 -28.364 -8.554 1.00 73.54 H new ATOM 0 HE22 GLN A 17 -0.887 -30.039 -9.116 1.00 73.54 H new ATOM 245 N MET A 18 1.249 -24.162 -13.486 1.00 4.14 N ATOM 246 CA MET A 18 1.100 -23.389 -14.713 1.00 51.30 C ATOM 247 C MET A 18 2.453 -22.891 -15.210 1.00 63.25 C ATOM 248 O MET A 18 2.868 -23.201 -16.328 1.00 75.33 O ATOM 249 CB MET A 18 0.161 -22.203 -14.483 1.00 73.00 C ATOM 250 CG MET A 18 -1.157 -22.589 -13.830 1.00 44.00 C ATOM 251 SD MET A 18 -2.561 -22.426 -14.949 1.00 43.33 S ATOM 252 CE MET A 18 -1.927 -23.247 -16.409 1.00 71.24 C ATOM 0 H MET A 18 0.849 -23.721 -12.658 1.00 4.14 H new ATOM 0 HA MET A 18 0.671 -24.041 -15.474 1.00 51.30 H new ATOM 0 HB2 MET A 18 0.665 -21.467 -13.857 1.00 73.00 H new ATOM 0 HB3 MET A 18 -0.044 -21.722 -15.439 1.00 73.00 H new ATOM 0 HG2 MET A 18 -1.096 -23.619 -13.478 1.00 44.00 H new ATOM 0 HG3 MET A 18 -1.321 -21.962 -12.954 1.00 44.00 H new ATOM 0 HE1 MET A 18 -2.127 -22.633 -17.287 1.00 71.24 H new ATOM 0 HE2 MET A 18 -0.852 -23.393 -16.306 1.00 71.24 H new ATOM 0 HE3 MET A 18 -2.415 -24.215 -16.523 1.00 71.24 H new ATOM 262 N LEU A 19 3.138 -22.118 -14.375 1.00 21.43 N ATOM 263 CA LEU A 19 4.446 -21.578 -14.730 1.00 14.41 C ATOM 264 C LEU A 19 5.402 -22.692 -15.141 1.00 64.01 C ATOM 265 O LEU A 19 6.255 -22.503 -16.009 1.00 21.05 O ATOM 266 CB LEU A 19 5.032 -20.794 -13.554 1.00 70.40 C ATOM 267 CG LEU A 19 4.108 -19.761 -12.908 1.00 61.32 C ATOM 268 CD1 LEU A 19 4.823 -19.038 -11.778 1.00 25.13 C ATOM 269 CD2 LEU A 19 3.609 -18.768 -13.948 1.00 23.23 C ATOM 0 H LEU A 19 2.810 -21.851 -13.447 1.00 21.43 H new ATOM 0 HA LEU A 19 4.316 -20.906 -15.578 1.00 14.41 H new ATOM 0 HB2 LEU A 19 5.341 -21.505 -12.788 1.00 70.40 H new ATOM 0 HB3 LEU A 19 5.932 -20.283 -13.896 1.00 70.40 H new ATOM 0 HG LEU A 19 3.247 -20.283 -12.490 1.00 61.32 H new ATOM 0 HD11 LEU A 19 4.150 -18.307 -11.330 1.00 25.13 H new ATOM 0 HD12 LEU A 19 5.130 -19.760 -11.021 1.00 25.13 H new ATOM 0 HD13 LEU A 19 5.703 -18.528 -12.171 1.00 25.13 H new ATOM 0 HD21 LEU A 19 2.953 -18.040 -13.471 1.00 23.23 H new ATOM 0 HD22 LEU A 19 4.459 -18.252 -14.395 1.00 23.23 H new ATOM 0 HD23 LEU A 19 3.058 -19.300 -14.724 1.00 23.23 H new ATOM 281 N SER A 20 5.253 -23.854 -14.514 1.00 24.41 N ATOM 282 CA SER A 20 6.105 -24.999 -14.813 1.00 63.34 C ATOM 283 C SER A 20 5.644 -25.701 -16.087 1.00 32.41 C ATOM 284 O SER A 20 6.436 -26.343 -16.776 1.00 73.24 O ATOM 285 CB SER A 20 6.100 -25.985 -13.644 1.00 25.34 C ATOM 286 OG SER A 20 7.030 -27.033 -13.856 1.00 62.42 O ATOM 0 H SER A 20 4.550 -24.028 -13.796 1.00 24.41 H new ATOM 0 HA SER A 20 7.121 -24.634 -14.967 1.00 63.34 H new ATOM 0 HB2 SER A 20 6.344 -25.460 -12.720 1.00 25.34 H new ATOM 0 HB3 SER A 20 5.100 -26.401 -13.520 1.00 25.34 H new ATOM 0 HG SER A 20 7.008 -27.649 -13.094 1.00 62.42 H new ATOM 292 N MET A 21 4.357 -25.574 -16.392 1.00 74.10 N ATOM 293 CA MET A 21 3.789 -26.195 -17.583 1.00 71.11 C ATOM 294 C MET A 21 4.099 -25.369 -18.827 1.00 64.24 C ATOM 295 O MET A 21 4.248 -25.910 -19.922 1.00 72.32 O ATOM 296 CB MET A 21 2.275 -26.356 -17.428 1.00 64.23 C ATOM 297 CG MET A 21 1.859 -27.726 -16.918 1.00 61.21 C ATOM 298 SD MET A 21 0.069 -27.931 -16.858 1.00 53.44 S ATOM 299 CE MET A 21 -0.410 -26.463 -15.950 1.00 25.25 C ATOM 0 H MET A 21 3.688 -25.047 -15.831 1.00 74.10 H new ATOM 0 HA MET A 21 4.242 -27.180 -17.700 1.00 71.11 H new ATOM 0 HB2 MET A 21 1.905 -25.594 -16.742 1.00 64.23 H new ATOM 0 HB3 MET A 21 1.798 -26.176 -18.391 1.00 64.23 H new ATOM 0 HG2 MET A 21 2.287 -28.494 -17.562 1.00 61.21 H new ATOM 0 HG3 MET A 21 2.272 -27.879 -15.921 1.00 61.21 H new ATOM 0 HE1 MET A 21 -1.487 -26.473 -15.785 1.00 25.25 H new ATOM 0 HE2 MET A 21 0.104 -26.445 -14.989 1.00 25.25 H new ATOM 0 HE3 MET A 21 -0.139 -25.576 -16.523 1.00 25.25 H new ATOM 309 N GLY A 22 4.196 -24.055 -18.651 1.00 50.21 N ATOM 310 CA GLY A 22 4.488 -23.176 -19.769 1.00 12.05 C ATOM 311 C GLY A 22 3.609 -21.941 -19.779 1.00 44.34 C ATOM 312 O GLY A 22 3.032 -21.589 -20.809 1.00 23.43 O ATOM 0 H GLY A 22 4.078 -23.583 -17.754 1.00 50.21 H new ATOM 0 HA2 GLY A 22 5.534 -22.873 -19.726 1.00 12.05 H new ATOM 0 HA3 GLY A 22 4.352 -23.723 -20.702 1.00 12.05 H new ATOM 316 N PHE A 23 3.506 -21.280 -18.631 1.00 32.10 N ATOM 317 CA PHE A 23 2.689 -20.078 -18.511 1.00 72.14 C ATOM 318 C PHE A 23 3.391 -19.026 -17.658 1.00 40.11 C ATOM 319 O PHE A 23 4.486 -19.257 -17.145 1.00 50.23 O ATOM 320 CB PHE A 23 1.327 -20.420 -17.902 1.00 45.40 C ATOM 321 CG PHE A 23 0.486 -21.308 -18.774 1.00 3.43 C ATOM 322 CD1 PHE A 23 0.570 -22.686 -18.667 1.00 24.41 C ATOM 323 CD2 PHE A 23 -0.388 -20.763 -19.700 1.00 73.35 C ATOM 324 CE1 PHE A 23 -0.203 -23.506 -19.467 1.00 65.43 C ATOM 325 CE2 PHE A 23 -1.164 -21.578 -20.503 1.00 70.22 C ATOM 326 CZ PHE A 23 -1.070 -22.951 -20.387 1.00 71.44 C ATOM 0 H PHE A 23 3.978 -21.556 -17.770 1.00 32.10 H new ATOM 0 HA PHE A 23 2.540 -19.669 -19.510 1.00 72.14 H new ATOM 0 HB2 PHE A 23 1.481 -20.909 -16.940 1.00 45.40 H new ATOM 0 HB3 PHE A 23 0.783 -19.496 -17.706 1.00 45.40 H new ATOM 0 HD1 PHE A 23 1.248 -23.125 -17.950 1.00 24.41 H new ATOM 0 HD2 PHE A 23 -0.464 -19.690 -19.796 1.00 73.35 H new ATOM 0 HE1 PHE A 23 -0.129 -24.579 -19.373 1.00 65.43 H new ATOM 0 HE2 PHE A 23 -1.843 -21.141 -21.220 1.00 70.22 H new ATOM 0 HZ PHE A 23 -1.674 -23.589 -21.015 1.00 71.44 H new ATOM 336 N SER A 24 2.753 -17.869 -17.511 1.00 74.34 N ATOM 337 CA SER A 24 3.317 -16.779 -16.724 1.00 60.15 C ATOM 338 C SER A 24 2.218 -16.006 -16.002 1.00 5.44 C ATOM 339 O SER A 24 1.064 -16.431 -15.969 1.00 15.43 O ATOM 340 CB SER A 24 4.116 -15.833 -17.623 1.00 75.25 C ATOM 341 OG SER A 24 5.302 -15.400 -16.982 1.00 24.34 O ATOM 0 H SER A 24 1.845 -17.663 -17.927 1.00 74.34 H new ATOM 0 HA SER A 24 3.985 -17.210 -15.978 1.00 60.15 H new ATOM 0 HB2 SER A 24 4.367 -16.338 -18.556 1.00 75.25 H new ATOM 0 HB3 SER A 24 3.504 -14.970 -17.883 1.00 75.25 H new ATOM 0 HG SER A 24 5.795 -14.798 -17.578 1.00 24.34 H new ATOM 347 N ASP A 25 2.587 -14.868 -15.424 1.00 3.24 N ATOM 348 CA ASP A 25 1.634 -14.033 -14.702 1.00 3.05 C ATOM 349 C ASP A 25 1.732 -12.580 -15.155 1.00 5.33 C ATOM 350 O ASP A 25 1.511 -11.659 -14.369 1.00 53.13 O ATOM 351 CB ASP A 25 1.880 -14.128 -13.195 1.00 33.02 C ATOM 352 CG ASP A 25 3.275 -13.681 -12.806 1.00 63.12 C ATOM 353 OD1 ASP A 25 4.240 -14.409 -13.120 1.00 72.30 O ATOM 354 OD2 ASP A 25 3.403 -12.604 -12.188 1.00 11.45 O ATOM 0 H ASP A 25 3.539 -14.503 -15.441 1.00 3.24 H new ATOM 0 HA ASP A 25 0.630 -14.396 -14.922 1.00 3.05 H new ATOM 0 HB2 ASP A 25 1.146 -13.516 -12.671 1.00 33.02 H new ATOM 0 HB3 ASP A 25 1.727 -15.157 -12.869 1.00 33.02 H new ATOM 359 N GLU A 26 2.067 -12.383 -16.426 1.00 43.21 N ATOM 360 CA GLU A 26 2.197 -11.041 -16.982 1.00 74.14 C ATOM 361 C GLU A 26 0.947 -10.212 -16.699 1.00 5.24 C ATOM 362 O GLU A 26 -0.144 -10.533 -17.167 1.00 21.24 O ATOM 363 CB GLU A 26 2.443 -11.112 -18.491 1.00 3.12 C ATOM 364 CG GLU A 26 3.697 -11.883 -18.867 1.00 3.01 C ATOM 365 CD GLU A 26 4.930 -11.002 -18.921 1.00 0.53 C ATOM 366 OE1 GLU A 26 5.059 -10.222 -19.888 1.00 2.32 O ATOM 367 OE2 GLU A 26 5.765 -11.091 -17.997 1.00 22.41 O ATOM 0 H GLU A 26 2.253 -13.135 -17.090 1.00 43.21 H new ATOM 0 HA GLU A 26 3.049 -10.558 -16.504 1.00 74.14 H new ATOM 0 HB2 GLU A 26 1.582 -11.579 -18.969 1.00 3.12 H new ATOM 0 HB3 GLU A 26 2.517 -10.099 -18.887 1.00 3.12 H new ATOM 0 HG2 GLU A 26 3.858 -12.682 -18.144 1.00 3.01 H new ATOM 0 HG3 GLU A 26 3.550 -12.356 -19.838 1.00 3.01 H new ATOM 374 N GLY A 27 1.117 -9.142 -15.927 1.00 71.11 N ATOM 375 CA GLY A 27 -0.004 -8.283 -15.593 1.00 72.31 C ATOM 376 C GLY A 27 -0.791 -8.794 -14.403 1.00 35.32 C ATOM 377 O GLY A 27 -1.023 -8.062 -13.442 1.00 4.12 O ATOM 0 H GLY A 27 2.011 -8.855 -15.527 1.00 71.11 H new ATOM 0 HA2 GLY A 27 0.363 -7.279 -15.378 1.00 72.31 H new ATOM 0 HA3 GLY A 27 -0.666 -8.203 -16.455 1.00 72.31 H new ATOM 381 N GLY A 28 -1.206 -10.056 -14.467 1.00 14.01 N ATOM 382 CA GLY A 28 -1.970 -10.642 -13.381 1.00 4.04 C ATOM 383 C GLY A 28 -3.150 -11.454 -13.874 1.00 34.51 C ATOM 384 O GLY A 28 -4.270 -11.291 -13.390 1.00 54.40 O ATOM 0 H GLY A 28 -1.027 -10.683 -15.252 1.00 14.01 H new ATOM 0 HA2 GLY A 28 -1.318 -11.280 -12.785 1.00 4.04 H new ATOM 0 HA3 GLY A 28 -2.328 -9.849 -12.724 1.00 4.04 H new ATOM 388 N TRP A 29 -2.901 -12.331 -14.840 1.00 23.13 N ATOM 389 CA TRP A 29 -3.953 -13.171 -15.400 1.00 53.01 C ATOM 390 C TRP A 29 -3.977 -14.537 -14.724 1.00 33.31 C ATOM 391 O TRP A 29 -4.978 -15.253 -14.783 1.00 13.21 O ATOM 392 CB TRP A 29 -3.753 -13.338 -16.907 1.00 51.53 C ATOM 393 CG TRP A 29 -2.648 -14.288 -17.258 1.00 53.53 C ATOM 394 CD1 TRP A 29 -1.319 -13.995 -17.366 1.00 42.41 C ATOM 395 CD2 TRP A 29 -2.778 -15.683 -17.549 1.00 75.34 C ATOM 396 NE1 TRP A 29 -0.615 -15.124 -17.707 1.00 24.23 N ATOM 397 CE2 TRP A 29 -1.487 -16.174 -17.824 1.00 41.22 C ATOM 398 CE3 TRP A 29 -3.860 -16.567 -17.603 1.00 2.14 C ATOM 399 CZ2 TRP A 29 -1.251 -17.507 -18.148 1.00 64.10 C ATOM 400 CZ3 TRP A 29 -3.624 -17.890 -17.924 1.00 43.15 C ATOM 401 CH2 TRP A 29 -2.328 -18.350 -18.193 1.00 63.10 C ATOM 0 H TRP A 29 -1.980 -12.479 -15.252 1.00 23.13 H new ATOM 0 HA TRP A 29 -4.909 -12.680 -15.220 1.00 53.01 H new ATOM 0 HB2 TRP A 29 -4.682 -13.693 -17.353 1.00 51.53 H new ATOM 0 HB3 TRP A 29 -3.539 -12.364 -17.348 1.00 51.53 H new ATOM 0 HD1 TRP A 29 -0.885 -13.019 -17.207 1.00 42.41 H new ATOM 0 HE1 TRP A 29 0.394 -15.173 -17.850 1.00 24.23 H new ATOM 0 HE3 TRP A 29 -4.862 -16.222 -17.397 1.00 2.14 H new ATOM 0 HZ2 TRP A 29 -0.253 -17.863 -18.357 1.00 64.10 H new ATOM 0 HZ3 TRP A 29 -4.453 -18.581 -17.968 1.00 43.15 H new ATOM 0 HH2 TRP A 29 -2.176 -19.390 -18.441 1.00 63.10 H new ATOM 412 N LEU A 30 -2.871 -14.894 -14.082 1.00 24.32 N ATOM 413 CA LEU A 30 -2.765 -16.176 -13.393 1.00 71.24 C ATOM 414 C LEU A 30 -2.876 -15.994 -11.883 1.00 73.01 C ATOM 415 O LEU A 30 -2.774 -16.956 -11.121 1.00 61.00 O ATOM 416 CB LEU A 30 -1.439 -16.856 -13.740 1.00 74.13 C ATOM 417 CG LEU A 30 -1.371 -18.362 -13.486 1.00 60.41 C ATOM 418 CD1 LEU A 30 -2.367 -19.098 -14.368 1.00 71.55 C ATOM 419 CD2 LEU A 30 0.040 -18.880 -13.725 1.00 0.11 C ATOM 0 H LEU A 30 -2.034 -14.314 -14.024 1.00 24.32 H new ATOM 0 HA LEU A 30 -3.589 -16.808 -13.726 1.00 71.24 H new ATOM 0 HB2 LEU A 30 -1.226 -16.675 -14.794 1.00 74.13 H new ATOM 0 HB3 LEU A 30 -0.646 -16.375 -13.167 1.00 74.13 H new ATOM 0 HG LEU A 30 -1.633 -18.547 -12.444 1.00 60.41 H new ATOM 0 HD11 LEU A 30 -2.304 -20.169 -14.173 1.00 71.55 H new ATOM 0 HD12 LEU A 30 -3.376 -18.748 -14.148 1.00 71.55 H new ATOM 0 HD13 LEU A 30 -2.136 -18.906 -15.416 1.00 71.55 H new ATOM 0 HD21 LEU A 30 0.070 -19.954 -13.539 1.00 0.11 H new ATOM 0 HD22 LEU A 30 0.330 -18.682 -14.757 1.00 0.11 H new ATOM 0 HD23 LEU A 30 0.732 -18.376 -13.050 1.00 0.11 H new ATOM 431 N THR A 31 -3.089 -14.753 -11.456 1.00 21.22 N ATOM 432 CA THR A 31 -3.215 -14.444 -10.037 1.00 75.51 C ATOM 433 C THR A 31 -4.672 -14.498 -9.590 1.00 60.45 C ATOM 434 O THR A 31 -4.962 -14.661 -8.405 1.00 41.11 O ATOM 435 CB THR A 31 -2.642 -13.052 -9.712 1.00 22.53 C ATOM 436 OG1 THR A 31 -2.778 -12.781 -8.312 1.00 71.33 O ATOM 437 CG2 THR A 31 -3.353 -11.973 -10.514 1.00 64.12 C ATOM 0 H THR A 31 -3.178 -13.946 -12.073 1.00 21.22 H new ATOM 0 HA THR A 31 -2.643 -15.199 -9.497 1.00 75.51 H new ATOM 0 HB THR A 31 -1.586 -13.046 -9.982 1.00 22.53 H new ATOM 0 HG1 THR A 31 -2.410 -11.895 -8.113 1.00 71.33 H new ATOM 0 HG21 THR A 31 -2.931 -10.999 -10.267 1.00 64.12 H new ATOM 0 HG22 THR A 31 -3.223 -12.166 -11.579 1.00 64.12 H new ATOM 0 HG23 THR A 31 -4.416 -11.980 -10.271 1.00 64.12 H new ATOM 445 N ARG A 32 -5.585 -14.362 -10.547 1.00 3.13 N ATOM 446 CA ARG A 32 -7.012 -14.395 -10.251 1.00 1.21 C ATOM 447 C ARG A 32 -7.689 -15.558 -10.969 1.00 33.42 C ATOM 448 O ARG A 32 -8.711 -16.073 -10.513 1.00 31.34 O ATOM 449 CB ARG A 32 -7.670 -13.076 -10.661 1.00 41.00 C ATOM 450 CG ARG A 32 -7.030 -11.853 -10.025 1.00 14.40 C ATOM 451 CD ARG A 32 -7.831 -11.365 -8.828 1.00 2.53 C ATOM 452 NE ARG A 32 -8.457 -10.070 -9.079 1.00 55.43 N ATOM 453 CZ ARG A 32 -9.443 -9.574 -8.340 1.00 34.23 C ATOM 454 NH1 ARG A 32 -9.912 -10.262 -7.307 1.00 52.25 N ATOM 455 NH2 ARG A 32 -9.962 -8.388 -8.632 1.00 32.42 N ATOM 0 H ARG A 32 -5.362 -14.228 -11.533 1.00 3.13 H new ATOM 0 HA ARG A 32 -7.132 -14.534 -9.177 1.00 1.21 H new ATOM 0 HB2 ARG A 32 -7.623 -12.978 -11.746 1.00 41.00 H new ATOM 0 HB3 ARG A 32 -8.725 -13.106 -10.389 1.00 41.00 H new ATOM 0 HG2 ARG A 32 -6.014 -12.094 -9.711 1.00 14.40 H new ATOM 0 HG3 ARG A 32 -6.954 -11.055 -10.764 1.00 14.40 H new ATOM 0 HD2 ARG A 32 -8.600 -12.098 -8.583 1.00 2.53 H new ATOM 0 HD3 ARG A 32 -7.176 -11.289 -7.960 1.00 2.53 H new ATOM 0 HE ARG A 32 -8.118 -9.516 -9.865 1.00 55.43 H new ATOM 0 HH11 ARG A 32 -9.515 -11.174 -7.079 1.00 52.25 H new ATOM 0 HH12 ARG A 32 -10.669 -9.879 -6.741 1.00 52.25 H new ATOM 0 HH21 ARG A 32 -9.604 -7.856 -9.425 1.00 32.42 H new ATOM 0 HH22 ARG A 32 -10.719 -8.009 -8.063 1.00 32.42 H new ATOM 469 N LEU A 33 -7.114 -15.968 -12.094 1.00 52.32 N ATOM 470 CA LEU A 33 -7.662 -17.071 -12.876 1.00 53.53 C ATOM 471 C LEU A 33 -7.902 -18.294 -11.998 1.00 70.51 C ATOM 472 O LEU A 33 -8.998 -18.857 -11.984 1.00 1.42 O ATOM 473 CB LEU A 33 -6.715 -17.429 -14.023 1.00 0.23 C ATOM 474 CG LEU A 33 -6.895 -18.820 -14.632 1.00 41.53 C ATOM 475 CD1 LEU A 33 -8.336 -19.027 -15.072 1.00 20.44 C ATOM 476 CD2 LEU A 33 -5.945 -19.015 -15.805 1.00 4.04 C ATOM 0 H LEU A 33 -6.268 -15.553 -12.485 1.00 52.32 H new ATOM 0 HA LEU A 33 -8.618 -16.751 -13.290 1.00 53.53 H new ATOM 0 HB2 LEU A 33 -6.838 -16.689 -14.814 1.00 0.23 H new ATOM 0 HB3 LEU A 33 -5.690 -17.342 -13.662 1.00 0.23 H new ATOM 0 HG LEU A 33 -6.658 -19.563 -13.870 1.00 41.53 H new ATOM 0 HD11 LEU A 33 -8.445 -20.022 -15.503 1.00 20.44 H new ATOM 0 HD12 LEU A 33 -8.997 -18.930 -14.211 1.00 20.44 H new ATOM 0 HD13 LEU A 33 -8.600 -18.278 -15.818 1.00 20.44 H new ATOM 0 HD21 LEU A 33 -6.087 -20.010 -16.226 1.00 4.04 H new ATOM 0 HD22 LEU A 33 -6.151 -18.265 -16.569 1.00 4.04 H new ATOM 0 HD23 LEU A 33 -4.916 -18.910 -15.461 1.00 4.04 H new ATOM 488 N LEU A 34 -6.871 -18.701 -11.265 1.00 74.33 N ATOM 489 CA LEU A 34 -6.970 -19.858 -10.382 1.00 11.24 C ATOM 490 C LEU A 34 -8.043 -19.641 -9.319 1.00 62.21 C ATOM 491 O LEU A 34 -8.866 -20.521 -9.067 1.00 5.03 O ATOM 492 CB LEU A 34 -5.621 -20.130 -9.713 1.00 35.00 C ATOM 493 CG LEU A 34 -4.548 -20.761 -10.600 1.00 44.32 C ATOM 494 CD1 LEU A 34 -5.085 -22.009 -11.283 1.00 41.45 C ATOM 495 CD2 LEU A 34 -4.051 -19.758 -11.631 1.00 50.33 C ATOM 0 H LEU A 34 -5.958 -18.247 -11.265 1.00 74.33 H new ATOM 0 HA LEU A 34 -7.251 -20.722 -10.985 1.00 11.24 H new ATOM 0 HB2 LEU A 34 -5.235 -19.188 -9.324 1.00 35.00 H new ATOM 0 HB3 LEU A 34 -5.788 -20.784 -8.857 1.00 35.00 H new ATOM 0 HG LEU A 34 -3.707 -21.051 -9.970 1.00 44.32 H new ATOM 0 HD11 LEU A 34 -4.307 -22.444 -11.910 1.00 41.45 H new ATOM 0 HD12 LEU A 34 -5.390 -22.734 -10.528 1.00 41.45 H new ATOM 0 HD13 LEU A 34 -5.943 -21.745 -11.901 1.00 41.45 H new ATOM 0 HD21 LEU A 34 -3.288 -20.224 -12.254 1.00 50.33 H new ATOM 0 HD22 LEU A 34 -4.884 -19.437 -12.257 1.00 50.33 H new ATOM 0 HD23 LEU A 34 -3.625 -18.893 -11.122 1.00 50.33 H new ATOM 507 N GLN A 35 -8.028 -18.464 -8.702 1.00 72.21 N ATOM 508 CA GLN A 35 -9.001 -18.132 -7.668 1.00 71.10 C ATOM 509 C GLN A 35 -10.425 -18.342 -8.173 1.00 1.32 C ATOM 510 O GLN A 35 -11.315 -18.724 -7.413 1.00 32.14 O ATOM 511 CB GLN A 35 -8.817 -16.684 -7.211 1.00 53.13 C ATOM 512 CG GLN A 35 -7.442 -16.400 -6.629 1.00 12.43 C ATOM 513 CD GLN A 35 -7.300 -14.973 -6.137 1.00 53.53 C ATOM 514 OE1 GLN A 35 -7.069 -14.053 -6.923 1.00 63.21 O ATOM 515 NE2 GLN A 35 -7.439 -14.779 -4.831 1.00 21.42 N ATOM 0 H GLN A 35 -7.353 -17.725 -8.900 1.00 72.21 H new ATOM 0 HA GLN A 35 -8.834 -18.797 -6.820 1.00 71.10 H new ATOM 0 HB2 GLN A 35 -8.988 -16.020 -8.058 1.00 53.13 H new ATOM 0 HB3 GLN A 35 -9.575 -16.449 -6.463 1.00 53.13 H new ATOM 0 HG2 GLN A 35 -7.253 -17.086 -5.803 1.00 12.43 H new ATOM 0 HG3 GLN A 35 -6.683 -16.596 -7.387 1.00 12.43 H new ATOM 0 HE21 GLN A 35 -7.630 -15.570 -4.215 1.00 21.42 H new ATOM 0 HE22 GLN A 35 -7.355 -13.839 -4.443 1.00 21.42 H new ATOM 524 N THR A 36 -10.634 -18.088 -9.461 1.00 73.41 N ATOM 525 CA THR A 36 -11.950 -18.248 -10.067 1.00 40.44 C ATOM 526 C THR A 36 -12.240 -19.712 -10.375 1.00 61.12 C ATOM 527 O THR A 36 -13.397 -20.115 -10.495 1.00 71.01 O ATOM 528 CB THR A 36 -12.073 -17.428 -11.366 1.00 12.24 C ATOM 529 OG1 THR A 36 -10.780 -16.983 -11.789 1.00 24.02 O ATOM 530 CG2 THR A 36 -12.986 -16.228 -11.163 1.00 74.14 C ATOM 0 H THR A 36 -9.909 -17.771 -10.104 1.00 73.41 H new ATOM 0 HA THR A 36 -12.678 -17.881 -9.343 1.00 40.44 H new ATOM 0 HB THR A 36 -12.505 -18.069 -12.135 1.00 12.24 H new ATOM 0 HG1 THR A 36 -10.295 -17.730 -12.198 1.00 24.02 H new ATOM 0 HG21 THR A 36 -13.058 -15.664 -12.093 1.00 74.14 H new ATOM 0 HG22 THR A 36 -13.978 -16.571 -10.869 1.00 74.14 H new ATOM 0 HG23 THR A 36 -12.577 -15.588 -10.381 1.00 74.14 H new ATOM 538 N LYS A 37 -11.182 -20.506 -10.502 1.00 0.04 N ATOM 539 CA LYS A 37 -11.322 -21.928 -10.794 1.00 11.44 C ATOM 540 C LYS A 37 -11.103 -22.765 -9.538 1.00 22.22 C ATOM 541 O LYS A 37 -10.918 -23.979 -9.615 1.00 34.05 O ATOM 542 CB LYS A 37 -10.328 -22.347 -11.879 1.00 0.20 C ATOM 543 CG LYS A 37 -10.472 -21.562 -13.171 1.00 43.24 C ATOM 544 CD LYS A 37 -11.893 -21.622 -13.705 1.00 52.30 C ATOM 545 CE LYS A 37 -11.939 -21.346 -15.200 1.00 53.40 C ATOM 546 NZ LYS A 37 -13.205 -21.833 -15.815 1.00 62.13 N ATOM 0 H LYS A 37 -10.217 -20.188 -10.407 1.00 0.04 H new ATOM 0 HA LYS A 37 -12.336 -22.102 -11.153 1.00 11.44 H new ATOM 0 HB2 LYS A 37 -9.314 -22.222 -11.499 1.00 0.20 H new ATOM 0 HB3 LYS A 37 -10.461 -23.408 -12.091 1.00 0.20 H new ATOM 0 HG2 LYS A 37 -10.190 -20.523 -13.000 1.00 43.24 H new ATOM 0 HG3 LYS A 37 -9.785 -21.960 -13.918 1.00 43.24 H new ATOM 0 HD2 LYS A 37 -12.318 -22.605 -13.502 1.00 52.30 H new ATOM 0 HD3 LYS A 37 -12.511 -20.893 -13.180 1.00 52.30 H new ATOM 0 HE2 LYS A 37 -11.839 -20.275 -15.375 1.00 53.40 H new ATOM 0 HE3 LYS A 37 -11.090 -21.829 -15.685 1.00 53.40 H new ATOM 0 HZ1 LYS A 37 -13.198 -21.626 -16.834 1.00 62.13 H new ATOM 0 HZ2 LYS A 37 -13.289 -22.860 -15.671 1.00 62.13 H new ATOM 0 HZ3 LYS A 37 -14.014 -21.354 -15.370 1.00 62.13 H new ATOM 560 N ASN A 38 -11.126 -22.108 -8.382 1.00 63.45 N ATOM 561 CA ASN A 38 -10.930 -22.793 -7.110 1.00 32.51 C ATOM 562 C ASN A 38 -9.560 -23.462 -7.057 1.00 70.51 C ATOM 563 O ASN A 38 -9.427 -24.592 -6.586 1.00 71.43 O ATOM 564 CB ASN A 38 -12.028 -23.837 -6.895 1.00 13.13 C ATOM 565 CG ASN A 38 -12.154 -24.253 -5.442 1.00 24.22 C ATOM 566 OD1 ASN A 38 -12.439 -23.431 -4.571 1.00 53.24 O ATOM 567 ND2 ASN A 38 -11.939 -25.536 -5.173 1.00 54.05 N ATOM 0 H ASN A 38 -11.278 -21.103 -8.301 1.00 63.45 H new ATOM 0 HA ASN A 38 -10.983 -22.050 -6.314 1.00 32.51 H new ATOM 0 HB2 ASN A 38 -12.981 -23.434 -7.239 1.00 13.13 H new ATOM 0 HB3 ASN A 38 -11.815 -24.715 -7.504 1.00 13.13 H new ATOM 0 HD21 ASN A 38 -12.008 -25.874 -4.213 1.00 54.05 H new ATOM 0 HD22 ASN A 38 -11.705 -26.183 -5.926 1.00 54.05 H new ATOM 574 N TYR A 39 -8.544 -22.757 -7.542 1.00 75.25 N ATOM 575 CA TYR A 39 -7.185 -23.283 -7.552 1.00 45.15 C ATOM 576 C TYR A 39 -7.121 -24.616 -8.292 1.00 11.20 C ATOM 577 O TYR A 39 -6.708 -25.631 -7.731 1.00 1.21 O ATOM 578 CB TYR A 39 -6.672 -23.456 -6.122 1.00 4.22 C ATOM 579 CG TYR A 39 -7.038 -22.311 -5.205 1.00 12.04 C ATOM 580 CD1 TYR A 39 -6.672 -21.006 -5.510 1.00 55.34 C ATOM 581 CD2 TYR A 39 -7.749 -22.534 -4.032 1.00 72.31 C ATOM 582 CE1 TYR A 39 -7.005 -19.957 -4.675 1.00 45.42 C ATOM 583 CE2 TYR A 39 -8.087 -21.491 -3.192 1.00 21.22 C ATOM 584 CZ TYR A 39 -7.712 -20.204 -3.517 1.00 71.35 C ATOM 585 OH TYR A 39 -8.045 -19.163 -2.682 1.00 53.33 O ATOM 0 H TYR A 39 -8.636 -21.820 -7.933 1.00 75.25 H new ATOM 0 HA TYR A 39 -6.550 -22.567 -8.075 1.00 45.15 H new ATOM 0 HB2 TYR A 39 -7.073 -24.382 -5.711 1.00 4.22 H new ATOM 0 HB3 TYR A 39 -5.587 -23.560 -6.144 1.00 4.22 H new ATOM 0 HD1 TYR A 39 -6.118 -20.808 -6.415 1.00 55.34 H new ATOM 0 HD2 TYR A 39 -8.042 -23.541 -3.773 1.00 72.31 H new ATOM 0 HE1 TYR A 39 -6.713 -18.948 -4.928 1.00 45.42 H new ATOM 0 HE2 TYR A 39 -8.642 -21.682 -2.285 1.00 21.22 H new ATOM 0 HH TYR A 39 -8.543 -19.508 -1.912 1.00 53.33 H new ATOM 595 N ASP A 40 -7.533 -24.604 -9.555 1.00 20.22 N ATOM 596 CA ASP A 40 -7.522 -25.811 -10.374 1.00 11.22 C ATOM 597 C ASP A 40 -6.460 -25.718 -11.464 1.00 45.34 C ATOM 598 O ASP A 40 -6.124 -24.627 -11.926 1.00 51.41 O ATOM 599 CB ASP A 40 -8.898 -26.038 -11.003 1.00 24.43 C ATOM 600 CG ASP A 40 -9.698 -27.101 -10.276 1.00 22.32 C ATOM 601 OD1 ASP A 40 -9.571 -28.290 -10.637 1.00 43.32 O ATOM 602 OD2 ASP A 40 -10.452 -26.745 -9.346 1.00 42.30 O ATOM 0 H ASP A 40 -7.879 -23.772 -10.034 1.00 20.22 H new ATOM 0 HA ASP A 40 -7.282 -26.656 -9.729 1.00 11.22 H new ATOM 0 HB2 ASP A 40 -9.455 -25.101 -10.999 1.00 24.43 H new ATOM 0 HB3 ASP A 40 -8.774 -26.330 -12.046 1.00 24.43 H new ATOM 607 N ILE A 41 -5.933 -26.868 -11.870 1.00 74.34 N ATOM 608 CA ILE A 41 -4.909 -26.916 -12.906 1.00 71.03 C ATOM 609 C ILE A 41 -5.501 -27.344 -14.245 1.00 63.10 C ATOM 610 O ILE A 41 -5.008 -26.959 -15.305 1.00 34.13 O ATOM 611 CB ILE A 41 -3.771 -27.882 -12.528 1.00 62.24 C ATOM 612 CG1 ILE A 41 -3.466 -27.785 -11.032 1.00 63.12 C ATOM 613 CG2 ILE A 41 -2.526 -27.581 -13.349 1.00 42.31 C ATOM 614 CD1 ILE A 41 -3.091 -26.391 -10.581 1.00 41.32 C ATOM 0 H ILE A 41 -6.198 -27.779 -11.497 1.00 74.34 H new ATOM 0 HA ILE A 41 -4.504 -25.908 -12.996 1.00 71.03 H new ATOM 0 HB ILE A 41 -4.090 -28.900 -12.749 1.00 62.24 H new ATOM 0 HG12 ILE A 41 -4.338 -28.118 -10.469 1.00 63.12 H new ATOM 0 HG13 ILE A 41 -2.651 -28.468 -10.791 1.00 63.12 H new ATOM 0 HG21 ILE A 41 -1.731 -28.272 -13.070 1.00 42.31 H new ATOM 0 HG22 ILE A 41 -2.752 -27.697 -14.409 1.00 42.31 H new ATOM 0 HG23 ILE A 41 -2.202 -26.558 -13.157 1.00 42.31 H new ATOM 0 HD11 ILE A 41 -2.888 -26.397 -9.510 1.00 41.32 H new ATOM 0 HD12 ILE A 41 -2.201 -26.062 -11.117 1.00 41.32 H new ATOM 0 HD13 ILE A 41 -3.914 -25.707 -10.791 1.00 41.32 H new ATOM 626 N GLY A 42 -6.562 -28.143 -14.189 1.00 14.43 N ATOM 627 CA GLY A 42 -7.205 -28.609 -15.403 1.00 55.43 C ATOM 628 C GLY A 42 -8.187 -27.599 -15.964 1.00 12.33 C ATOM 629 O GLY A 42 -8.535 -27.649 -17.143 1.00 63.41 O ATOM 0 H GLY A 42 -6.988 -28.476 -13.324 1.00 14.43 H new ATOM 0 HA2 GLY A 42 -6.444 -28.827 -16.153 1.00 55.43 H new ATOM 0 HA3 GLY A 42 -7.727 -29.544 -15.198 1.00 55.43 H new ATOM 633 N ALA A 43 -8.637 -26.679 -15.116 1.00 22.42 N ATOM 634 CA ALA A 43 -9.584 -25.653 -15.533 1.00 72.43 C ATOM 635 C ALA A 43 -8.860 -24.401 -16.015 1.00 0.33 C ATOM 636 O ALA A 43 -9.329 -23.711 -16.919 1.00 45.54 O ATOM 637 CB ALA A 43 -10.530 -25.312 -14.391 1.00 72.54 C ATOM 0 H ALA A 43 -8.360 -26.624 -14.136 1.00 22.42 H new ATOM 0 HA ALA A 43 -10.166 -26.048 -16.366 1.00 72.43 H new ATOM 0 HB1 ALA A 43 -11.232 -24.544 -14.717 1.00 72.54 H new ATOM 0 HB2 ALA A 43 -11.081 -26.205 -14.096 1.00 72.54 H new ATOM 0 HB3 ALA A 43 -9.956 -24.942 -13.541 1.00 72.54 H new ATOM 643 N ALA A 44 -7.716 -24.113 -15.403 1.00 44.34 N ATOM 644 CA ALA A 44 -6.926 -22.944 -15.771 1.00 13.30 C ATOM 645 C ALA A 44 -6.130 -23.198 -17.046 1.00 51.24 C ATOM 646 O ALA A 44 -5.653 -22.262 -17.690 1.00 14.21 O ATOM 647 CB ALA A 44 -5.994 -22.557 -14.632 1.00 61.25 C ATOM 0 H ALA A 44 -7.316 -24.673 -14.650 1.00 44.34 H new ATOM 0 HA ALA A 44 -7.612 -22.118 -15.961 1.00 13.30 H new ATOM 0 HB1 ALA A 44 -5.410 -21.683 -14.921 1.00 61.25 H new ATOM 0 HB2 ALA A 44 -6.582 -22.324 -13.744 1.00 61.25 H new ATOM 0 HB3 ALA A 44 -5.321 -23.387 -14.414 1.00 61.25 H new ATOM 653 N LEU A 45 -5.989 -24.469 -17.407 1.00 3.44 N ATOM 654 CA LEU A 45 -5.249 -24.846 -18.606 1.00 21.11 C ATOM 655 C LEU A 45 -6.071 -24.573 -19.861 1.00 60.14 C ATOM 656 O LEU A 45 -5.526 -24.459 -20.959 1.00 52.54 O ATOM 657 CB LEU A 45 -4.863 -26.325 -18.547 1.00 32.24 C ATOM 658 CG LEU A 45 -3.568 -26.652 -17.802 1.00 13.11 C ATOM 659 CD1 LEU A 45 -3.496 -28.137 -17.483 1.00 60.12 C ATOM 660 CD2 LEU A 45 -2.360 -26.220 -18.620 1.00 25.55 C ATOM 0 H LEU A 45 -6.377 -25.256 -16.887 1.00 3.44 H new ATOM 0 HA LEU A 45 -4.343 -24.242 -18.649 1.00 21.11 H new ATOM 0 HB2 LEU A 45 -5.678 -26.874 -18.076 1.00 32.24 H new ATOM 0 HB3 LEU A 45 -4.776 -26.698 -19.567 1.00 32.24 H new ATOM 0 HG LEU A 45 -3.562 -26.100 -16.862 1.00 13.11 H new ATOM 0 HD11 LEU A 45 -2.568 -28.351 -16.953 1.00 60.12 H new ATOM 0 HD12 LEU A 45 -4.344 -28.416 -16.857 1.00 60.12 H new ATOM 0 HD13 LEU A 45 -3.525 -28.710 -18.410 1.00 60.12 H new ATOM 0 HD21 LEU A 45 -1.447 -26.460 -18.075 1.00 25.55 H new ATOM 0 HD22 LEU A 45 -2.361 -26.745 -19.575 1.00 25.55 H new ATOM 0 HD23 LEU A 45 -2.405 -25.145 -18.796 1.00 25.55 H new ATOM 672 N ASP A 46 -7.384 -24.468 -19.691 1.00 12.01 N ATOM 673 CA ASP A 46 -8.282 -24.205 -20.810 1.00 2.22 C ATOM 674 C ASP A 46 -8.868 -22.799 -20.717 1.00 63.33 C ATOM 675 O ASP A 46 -9.951 -22.531 -21.237 1.00 53.33 O ATOM 676 CB ASP A 46 -9.408 -25.239 -20.842 1.00 61.21 C ATOM 677 CG ASP A 46 -9.552 -25.896 -22.201 1.00 25.53 C ATOM 678 OD1 ASP A 46 -8.516 -26.257 -22.798 1.00 44.23 O ATOM 679 OD2 ASP A 46 -10.700 -26.051 -22.666 1.00 22.41 O ATOM 0 H ASP A 46 -7.851 -24.561 -18.789 1.00 12.01 H new ATOM 0 HA ASP A 46 -7.705 -24.279 -21.732 1.00 2.22 H new ATOM 0 HB2 ASP A 46 -9.216 -26.004 -20.090 1.00 61.21 H new ATOM 0 HB3 ASP A 46 -10.348 -24.757 -20.573 1.00 61.21 H new ATOM 684 N THR A 47 -8.145 -21.905 -20.051 1.00 4.33 N ATOM 685 CA THR A 47 -8.593 -20.528 -19.888 1.00 13.31 C ATOM 686 C THR A 47 -7.676 -19.560 -20.626 1.00 40.42 C ATOM 687 O THR A 47 -7.715 -18.352 -20.391 1.00 2.51 O ATOM 688 CB THR A 47 -8.653 -20.128 -18.401 1.00 64.34 C ATOM 689 OG1 THR A 47 -9.169 -21.213 -17.623 1.00 34.32 O ATOM 690 CG2 THR A 47 -9.524 -18.897 -18.206 1.00 74.03 C ATOM 0 H THR A 47 -7.246 -22.110 -19.615 1.00 4.33 H new ATOM 0 HA THR A 47 -9.595 -20.470 -20.313 1.00 13.31 H new ATOM 0 HB THR A 47 -7.642 -19.893 -18.070 1.00 64.34 H new ATOM 0 HG1 THR A 47 -8.613 -22.008 -17.761 1.00 34.32 H new ATOM 0 HG21 THR A 47 -9.551 -18.634 -17.149 1.00 74.03 H new ATOM 0 HG22 THR A 47 -9.111 -18.065 -18.776 1.00 74.03 H new ATOM 0 HG23 THR A 47 -10.535 -19.108 -18.553 1.00 74.03 H new ATOM 698 N ILE A 48 -6.853 -20.097 -21.520 1.00 25.12 N ATOM 699 CA ILE A 48 -5.927 -19.279 -22.294 1.00 22.43 C ATOM 700 C ILE A 48 -6.206 -19.398 -23.788 1.00 50.21 C ATOM 701 O ILE A 48 -5.982 -18.456 -24.547 1.00 41.53 O ATOM 702 CB ILE A 48 -4.464 -19.676 -22.023 1.00 65.42 C ATOM 703 CG1 ILE A 48 -4.324 -20.268 -20.619 1.00 70.42 C ATOM 704 CG2 ILE A 48 -3.549 -18.472 -22.190 1.00 24.34 C ATOM 705 CD1 ILE A 48 -4.530 -21.766 -20.572 1.00 34.22 C ATOM 0 H ILE A 48 -6.808 -21.095 -21.726 1.00 25.12 H new ATOM 0 HA ILE A 48 -6.079 -18.246 -21.980 1.00 22.43 H new ATOM 0 HB ILE A 48 -4.169 -20.435 -22.747 1.00 65.42 H new ATOM 0 HG12 ILE A 48 -3.333 -20.033 -20.232 1.00 70.42 H new ATOM 0 HG13 ILE A 48 -5.046 -19.789 -19.958 1.00 70.42 H new ATOM 0 HG21 ILE A 48 -2.518 -18.768 -21.995 1.00 24.34 H new ATOM 0 HG22 ILE A 48 -3.631 -18.091 -23.208 1.00 24.34 H new ATOM 0 HG23 ILE A 48 -3.841 -17.692 -21.487 1.00 24.34 H new ATOM 0 HD11 ILE A 48 -4.416 -22.117 -19.546 1.00 34.22 H new ATOM 0 HD12 ILE A 48 -5.531 -22.007 -20.929 1.00 34.22 H new ATOM 0 HD13 ILE A 48 -3.791 -22.255 -21.207 1.00 34.22 H new ATOM 717 N GLN A 49 -6.698 -20.561 -24.202 1.00 41.03 N ATOM 718 CA GLN A 49 -7.009 -20.802 -25.606 1.00 40.23 C ATOM 719 C GLN A 49 -7.882 -19.686 -26.170 1.00 14.44 C ATOM 720 O GLN A 49 -7.609 -19.152 -27.245 1.00 64.31 O ATOM 721 CB GLN A 49 -7.714 -22.149 -25.770 1.00 71.35 C ATOM 722 CG GLN A 49 -6.906 -23.326 -25.249 1.00 62.41 C ATOM 723 CD GLN A 49 -5.869 -23.809 -26.244 1.00 72.15 C ATOM 724 OE1 GLN A 49 -6.161 -24.633 -27.112 1.00 51.52 O ATOM 725 NE2 GLN A 49 -4.650 -23.298 -26.124 1.00 44.34 N ATOM 0 H GLN A 49 -6.890 -21.351 -23.586 1.00 41.03 H new ATOM 0 HA GLN A 49 -6.071 -20.821 -26.161 1.00 40.23 H new ATOM 0 HB2 GLN A 49 -8.670 -22.115 -25.247 1.00 71.35 H new ATOM 0 HB3 GLN A 49 -7.934 -22.309 -26.826 1.00 71.35 H new ATOM 0 HG2 GLN A 49 -6.409 -23.039 -24.323 1.00 62.41 H new ATOM 0 HG3 GLN A 49 -7.581 -24.147 -25.007 1.00 62.41 H new ATOM 0 HE21 GLN A 49 -4.452 -22.618 -25.390 1.00 44.34 H new ATOM 0 HE22 GLN A 49 -3.911 -23.585 -26.766 1.00 44.34 H new ATOM 734 N TYR A 50 -8.934 -19.337 -25.437 1.00 31.42 N ATOM 735 CA TYR A 50 -9.850 -18.286 -25.865 1.00 25.33 C ATOM 736 C TYR A 50 -10.661 -17.757 -24.686 1.00 5.11 C ATOM 737 O TYR A 50 -11.223 -18.528 -23.909 1.00 33.12 O ATOM 738 CB TYR A 50 -10.790 -18.811 -26.951 1.00 33.35 C ATOM 739 CG TYR A 50 -11.786 -19.832 -26.447 1.00 52.34 C ATOM 740 CD1 TYR A 50 -11.474 -21.186 -26.429 1.00 40.43 C ATOM 741 CD2 TYR A 50 -13.039 -19.442 -25.991 1.00 74.40 C ATOM 742 CE1 TYR A 50 -12.381 -22.122 -25.971 1.00 42.31 C ATOM 743 CE2 TYR A 50 -13.952 -20.371 -25.530 1.00 22.22 C ATOM 744 CZ TYR A 50 -13.618 -21.710 -25.522 1.00 11.50 C ATOM 745 OH TYR A 50 -14.525 -22.638 -25.065 1.00 22.14 O ATOM 0 H TYR A 50 -9.173 -19.767 -24.543 1.00 31.42 H new ATOM 0 HA TYR A 50 -9.258 -17.466 -26.272 1.00 25.33 H new ATOM 0 HB2 TYR A 50 -11.332 -17.972 -27.388 1.00 33.35 H new ATOM 0 HB3 TYR A 50 -10.197 -19.257 -27.749 1.00 33.35 H new ATOM 0 HD1 TYR A 50 -10.506 -21.512 -26.779 1.00 40.43 H new ATOM 0 HD2 TYR A 50 -13.304 -18.395 -25.997 1.00 74.40 H new ATOM 0 HE1 TYR A 50 -12.123 -23.171 -25.965 1.00 42.31 H new ATOM 0 HE2 TYR A 50 -14.922 -20.051 -25.178 1.00 22.22 H new ATOM 0 HH TYR A 50 -15.346 -22.182 -24.785 1.00 22.14 H new