USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -101:sc= 1.28 USER MOD Single : A 37 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=-0.018) USER MOD Single : A 40 GLN : amide:sc= -0.0723 K(o=-0.072,f=-1.7) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 44 THR OG1 : rot -168:sc= 0.101 USER MOD Single : A 48 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-4.4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.05 K(o=-3.1,f=-3.9) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.185 K(o=-0.19,f=-1.1) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 74 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-1.7) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N GLN A 25 5.500 4.423 -10.255 1.00 25.33 N ATOM 70 CA GLN A 25 6.036 5.107 -11.425 1.00 42.52 C ATOM 71 C GLN A 25 5.563 6.556 -11.472 1.00 53.53 C ATOM 72 O GLN A 25 6.314 7.453 -11.856 1.00 51.14 O ATOM 73 CB GLN A 25 5.618 4.380 -12.704 1.00 73.10 C ATOM 74 CG GLN A 25 4.123 4.120 -12.795 1.00 14.42 C ATOM 75 CD GLN A 25 3.716 3.511 -14.122 1.00 34.33 C ATOM 76 OE1 GLN A 25 3.469 2.308 -14.216 1.00 23.22 O ATOM 77 NE2 GLN A 25 3.642 4.339 -15.157 1.00 3.33 N ATOM 0 HA GLN A 25 7.124 5.101 -11.351 1.00 42.52 H new ATOM 0 HB2 GLN A 25 5.929 4.971 -13.566 1.00 73.10 H new ATOM 0 HB3 GLN A 25 6.148 3.429 -12.761 1.00 73.10 H new ATOM 0 HG2 GLN A 25 3.824 3.453 -11.987 1.00 14.42 H new ATOM 0 HG3 GLN A 25 3.586 5.057 -12.650 1.00 14.42 H new ATOM 0 HE21 GLN A 25 3.855 5.329 -15.034 1.00 3.33 H new ATOM 0 HE22 GLN A 25 3.372 3.985 -16.075 1.00 3.33 H new ATOM 86 N ASP A 26 4.313 6.778 -11.080 1.00 1.21 N ATOM 87 CA ASP A 26 3.739 8.119 -11.077 1.00 22.24 C ATOM 88 C ASP A 26 4.056 8.842 -9.772 1.00 2.54 C ATOM 89 O ASP A 26 3.153 9.279 -9.056 1.00 65.21 O ATOM 90 CB ASP A 26 2.225 8.049 -11.281 1.00 1.12 C ATOM 91 CG ASP A 26 1.566 7.023 -10.380 1.00 1.11 C ATOM 92 OD1 ASP A 26 2.073 6.805 -9.260 1.00 11.12 O ATOM 93 OD2 ASP A 26 0.544 6.438 -10.795 1.00 70.43 O ATOM 0 H ASP A 26 3.678 6.047 -10.760 1.00 1.21 H new ATOM 0 HA ASP A 26 4.183 8.680 -11.900 1.00 22.24 H new ATOM 0 HB2 ASP A 26 1.790 9.030 -11.089 1.00 1.12 H new ATOM 0 HB3 ASP A 26 2.013 7.804 -12.322 1.00 1.12 H new ATOM 98 N LEU A 27 5.343 8.965 -9.467 1.00 3.51 N ATOM 99 CA LEU A 27 5.780 9.635 -8.247 1.00 2.51 C ATOM 100 C LEU A 27 6.633 10.858 -8.572 1.00 71.43 C ATOM 101 O LEU A 27 7.693 10.741 -9.188 1.00 54.42 O ATOM 102 CB LEU A 27 6.571 8.667 -7.365 1.00 43.53 C ATOM 103 CG LEU A 27 7.323 9.292 -6.189 1.00 53.12 C ATOM 104 CD1 LEU A 27 6.706 8.855 -4.869 1.00 40.54 C ATOM 105 CD2 LEU A 27 8.797 8.920 -6.240 1.00 63.31 C ATOM 0 H LEU A 27 6.102 8.610 -10.048 1.00 3.51 H new ATOM 0 HA LEU A 27 4.893 9.967 -7.707 1.00 2.51 H new ATOM 0 HB2 LEU A 27 5.882 7.918 -6.973 1.00 43.53 H new ATOM 0 HB3 LEU A 27 7.291 8.141 -7.992 1.00 43.53 H new ATOM 0 HG LEU A 27 7.240 10.376 -6.264 1.00 53.12 H new ATOM 0 HD11 LEU A 27 7.254 9.309 -4.043 1.00 40.54 H new ATOM 0 HD12 LEU A 27 5.664 9.173 -4.832 1.00 40.54 H new ATOM 0 HD13 LEU A 27 6.758 7.769 -4.785 1.00 40.54 H new ATOM 0 HD21 LEU A 27 9.316 9.374 -5.396 1.00 63.31 H new ATOM 0 HD22 LEU A 27 8.901 7.836 -6.190 1.00 63.31 H new ATOM 0 HD23 LEU A 27 9.232 9.283 -7.171 1.00 63.31 H new ATOM 117 N ASP A 28 6.165 12.028 -8.153 1.00 34.21 N ATOM 118 CA ASP A 28 6.886 13.272 -8.397 1.00 34.34 C ATOM 119 C ASP A 28 8.353 13.135 -8.002 1.00 40.44 C ATOM 120 O ASP A 28 8.674 12.581 -6.951 1.00 23.11 O ATOM 121 CB ASP A 28 6.241 14.421 -7.620 1.00 34.41 C ATOM 122 CG ASP A 28 6.295 15.733 -8.376 1.00 43.42 C ATOM 123 OD1 ASP A 28 7.002 15.797 -9.404 1.00 4.51 O ATOM 124 OD2 ASP A 28 5.630 16.696 -7.941 1.00 44.41 O ATOM 0 H ASP A 28 5.289 12.141 -7.643 1.00 34.21 H new ATOM 0 HA ASP A 28 6.834 13.491 -9.464 1.00 34.34 H new ATOM 0 HB2 ASP A 28 5.202 14.172 -7.404 1.00 34.41 H new ATOM 0 HB3 ASP A 28 6.747 14.536 -6.661 1.00 34.41 H new ATOM 129 N ILE A 29 9.238 13.643 -8.853 1.00 4.51 N ATOM 130 CA ILE A 29 10.671 13.578 -8.593 1.00 2.21 C ATOM 131 C ILE A 29 11.027 14.290 -7.292 1.00 71.11 C ATOM 132 O ILE A 29 12.082 14.047 -6.708 1.00 64.32 O ATOM 133 CB ILE A 29 11.481 14.202 -9.745 1.00 3.24 C ATOM 134 CG1 ILE A 29 12.974 13.926 -9.555 1.00 62.32 C ATOM 135 CG2 ILE A 29 11.220 15.699 -9.826 1.00 23.25 C ATOM 136 CD1 ILE A 29 13.316 12.453 -9.518 1.00 31.45 C ATOM 0 H ILE A 29 8.988 14.104 -9.728 1.00 4.51 H new ATOM 0 HA ILE A 29 10.929 12.522 -8.509 1.00 2.21 H new ATOM 0 HB ILE A 29 11.162 13.746 -10.682 1.00 3.24 H new ATOM 0 HG12 ILE A 29 13.529 14.399 -10.365 1.00 62.32 H new ATOM 0 HG13 ILE A 29 13.306 14.391 -8.627 1.00 62.32 H new ATOM 0 HG21 ILE A 29 11.799 16.126 -10.645 1.00 23.25 H new ATOM 0 HG22 ILE A 29 10.159 15.874 -10.003 1.00 23.25 H new ATOM 0 HG23 ILE A 29 11.515 16.171 -8.889 1.00 23.25 H new ATOM 0 HD11 ILE A 29 14.391 12.332 -9.381 1.00 31.45 H new ATOM 0 HD12 ILE A 29 12.789 11.978 -8.691 1.00 31.45 H new ATOM 0 HD13 ILE A 29 13.015 11.986 -10.456 1.00 31.45 H new ATOM 148 N ALA A 30 10.137 15.169 -6.843 1.00 4.32 N ATOM 149 CA ALA A 30 10.355 15.914 -5.609 1.00 24.22 C ATOM 150 C ALA A 30 10.112 15.034 -4.387 1.00 4.41 C ATOM 151 O ALA A 30 10.787 15.172 -3.366 1.00 41.04 O ATOM 152 CB ALA A 30 9.456 17.140 -5.566 1.00 53.13 C ATOM 0 H ALA A 30 9.258 15.383 -7.315 1.00 4.32 H new ATOM 0 HA ALA A 30 11.395 16.240 -5.589 1.00 24.22 H new ATOM 0 HB1 ALA A 30 9.630 17.686 -4.639 1.00 53.13 H new ATOM 0 HB2 ALA A 30 9.680 17.786 -6.415 1.00 53.13 H new ATOM 0 HB3 ALA A 30 8.413 16.828 -5.613 1.00 53.13 H new ATOM 158 N VAL A 31 9.144 14.131 -4.497 1.00 71.41 N ATOM 159 CA VAL A 31 8.812 13.228 -3.401 1.00 40.20 C ATOM 160 C VAL A 31 9.864 12.135 -3.252 1.00 73.40 C ATOM 161 O VAL A 31 10.035 11.567 -2.173 1.00 41.41 O ATOM 162 CB VAL A 31 7.433 12.574 -3.610 1.00 43.33 C ATOM 163 CG1 VAL A 31 7.167 11.533 -2.534 1.00 0.22 C ATOM 164 CG2 VAL A 31 6.339 13.631 -3.624 1.00 3.24 C ATOM 0 H VAL A 31 8.575 14.005 -5.334 1.00 71.41 H new ATOM 0 HA VAL A 31 8.786 13.829 -2.492 1.00 40.20 H new ATOM 0 HB VAL A 31 7.432 12.070 -4.577 1.00 43.33 H new ATOM 0 HG11 VAL A 31 6.188 11.082 -2.698 1.00 0.22 H new ATOM 0 HG12 VAL A 31 7.935 10.760 -2.578 1.00 0.22 H new ATOM 0 HG13 VAL A 31 7.187 12.009 -1.554 1.00 0.22 H new ATOM 0 HG21 VAL A 31 5.372 13.151 -3.773 1.00 3.24 H new ATOM 0 HG22 VAL A 31 6.337 14.165 -2.674 1.00 3.24 H new ATOM 0 HG23 VAL A 31 6.524 14.335 -4.436 1.00 3.24 H new ATOM 174 N TRP A 32 10.565 11.844 -4.342 1.00 3.24 N ATOM 175 CA TRP A 32 11.602 10.818 -4.332 1.00 74.10 C ATOM 176 C TRP A 32 12.862 11.324 -3.639 1.00 62.34 C ATOM 177 O TRP A 32 13.378 10.684 -2.722 1.00 34.14 O ATOM 178 CB TRP A 32 11.930 10.382 -5.761 1.00 12.10 C ATOM 179 CG TRP A 32 12.747 9.127 -5.826 1.00 55.15 C ATOM 180 CD1 TRP A 32 12.407 7.902 -5.328 1.00 64.31 C ATOM 181 CD2 TRP A 32 14.039 8.976 -6.423 1.00 43.20 C ATOM 182 NE1 TRP A 32 13.412 6.998 -5.579 1.00 34.11 N ATOM 183 CE2 TRP A 32 14.423 7.632 -6.250 1.00 64.12 C ATOM 184 CE3 TRP A 32 14.909 9.845 -7.088 1.00 73.21 C ATOM 185 CZ2 TRP A 32 15.639 7.140 -6.717 1.00 70.55 C ATOM 186 CZ3 TRP A 32 16.115 9.355 -7.551 1.00 71.50 C ATOM 187 CH2 TRP A 32 16.471 8.012 -7.365 1.00 12.11 C ATOM 0 H TRP A 32 10.435 12.303 -5.243 1.00 3.24 H new ATOM 0 HA TRP A 32 11.224 9.960 -3.776 1.00 74.10 H new ATOM 0 HB2 TRP A 32 11.000 10.231 -6.310 1.00 12.10 H new ATOM 0 HB3 TRP A 32 12.470 11.185 -6.263 1.00 12.10 H new ATOM 0 HD1 TRP A 32 11.485 7.676 -4.813 1.00 64.31 H new ATOM 0 HE1 TRP A 32 13.405 6.014 -5.309 1.00 34.11 H new ATOM 0 HE3 TRP A 32 14.643 10.881 -7.237 1.00 73.21 H new ATOM 0 HZ2 TRP A 32 15.916 6.106 -6.573 1.00 70.55 H new ATOM 0 HZ3 TRP A 32 16.795 10.018 -8.065 1.00 71.50 H new ATOM 0 HH2 TRP A 32 17.420 7.659 -7.740 1.00 12.11 H new ATOM 198 N LEU A 33 13.355 12.475 -4.083 1.00 75.14 N ATOM 199 CA LEU A 33 14.556 13.067 -3.505 1.00 71.03 C ATOM 200 C LEU A 33 14.284 13.585 -2.097 1.00 31.04 C ATOM 201 O LEU A 33 15.199 13.710 -1.283 1.00 51.02 O ATOM 202 CB LEU A 33 15.064 14.206 -4.391 1.00 14.33 C ATOM 203 CG LEU A 33 15.884 13.792 -5.613 1.00 54.11 C ATOM 204 CD1 LEU A 33 15.605 14.723 -6.783 1.00 61.11 C ATOM 205 CD2 LEU A 33 17.368 13.780 -5.280 1.00 44.43 C ATOM 0 H LEU A 33 12.941 13.017 -4.842 1.00 75.14 H new ATOM 0 HA LEU A 33 15.321 12.293 -3.446 1.00 71.03 H new ATOM 0 HB2 LEU A 33 14.205 14.784 -4.733 1.00 14.33 H new ATOM 0 HB3 LEU A 33 15.672 14.872 -3.779 1.00 14.33 H new ATOM 0 HG LEU A 33 15.589 12.783 -5.900 1.00 54.11 H new ATOM 0 HD11 LEU A 33 16.197 14.413 -7.644 1.00 61.11 H new ATOM 0 HD12 LEU A 33 14.546 14.681 -7.037 1.00 61.11 H new ATOM 0 HD13 LEU A 33 15.872 15.743 -6.508 1.00 61.11 H new ATOM 0 HD21 LEU A 33 17.936 13.483 -6.161 1.00 44.43 H new ATOM 0 HD22 LEU A 33 17.679 14.777 -4.967 1.00 44.43 H new ATOM 0 HD23 LEU A 33 17.554 13.072 -4.473 1.00 44.43 H new ATOM 217 N ALA A 34 13.020 13.883 -1.815 1.00 73.30 N ATOM 218 CA ALA A 34 12.627 14.383 -0.504 1.00 35.24 C ATOM 219 C ALA A 34 12.908 13.352 0.584 1.00 31.31 C ATOM 220 O ALA A 34 12.966 13.683 1.769 1.00 72.11 O ATOM 221 CB ALA A 34 11.154 14.764 -0.504 1.00 35.11 C ATOM 0 H ALA A 34 12.250 13.787 -2.478 1.00 73.30 H new ATOM 0 HA ALA A 34 13.221 15.271 -0.289 1.00 35.24 H new ATOM 0 HB1 ALA A 34 10.874 15.136 0.482 1.00 35.11 H new ATOM 0 HB2 ALA A 34 10.979 15.541 -1.248 1.00 35.11 H new ATOM 0 HB3 ALA A 34 10.552 13.888 -0.746 1.00 35.11 H new ATOM 227 N THR A 35 13.082 12.099 0.175 1.00 73.32 N ATOM 228 CA THR A 35 13.355 11.019 1.114 1.00 21.34 C ATOM 229 C THR A 35 14.734 11.174 1.745 1.00 42.22 C ATOM 230 O THR A 35 14.978 10.699 2.854 1.00 63.32 O ATOM 231 CB THR A 35 13.269 9.642 0.429 1.00 51.25 C ATOM 232 OG1 THR A 35 14.285 9.530 -0.575 1.00 13.15 O ATOM 233 CG2 THR A 35 11.900 9.437 -0.203 1.00 44.13 C ATOM 0 H THR A 35 13.039 11.807 -0.801 1.00 73.32 H new ATOM 0 HA THR A 35 12.593 11.078 1.892 1.00 21.34 H new ATOM 0 HB THR A 35 13.421 8.873 1.187 1.00 51.25 H new ATOM 0 HG1 THR A 35 13.890 9.685 -1.459 1.00 13.15 H new ATOM 0 HG21 THR A 35 11.863 8.458 -0.681 1.00 44.13 H new ATOM 0 HG22 THR A 35 11.131 9.494 0.568 1.00 44.13 H new ATOM 0 HG23 THR A 35 11.724 10.212 -0.949 1.00 44.13 H new ATOM 241 N VAL A 36 15.634 11.844 1.031 1.00 30.21 N ATOM 242 CA VAL A 36 16.989 12.064 1.522 1.00 21.30 C ATOM 243 C VAL A 36 17.241 13.542 1.796 1.00 1.12 C ATOM 244 O VAL A 36 18.386 13.972 1.938 1.00 44.02 O ATOM 245 CB VAL A 36 18.040 11.553 0.518 1.00 34.31 C ATOM 246 CG1 VAL A 36 17.977 10.037 0.405 1.00 50.25 C ATOM 247 CG2 VAL A 36 17.839 12.206 -0.841 1.00 2.21 C ATOM 0 H VAL A 36 15.449 12.244 0.111 1.00 30.21 H new ATOM 0 HA VAL A 36 17.083 11.504 2.452 1.00 21.30 H new ATOM 0 HB VAL A 36 19.030 11.825 0.884 1.00 34.31 H new ATOM 0 HG11 VAL A 36 18.726 9.694 -0.308 1.00 50.25 H new ATOM 0 HG12 VAL A 36 18.173 9.591 1.380 1.00 50.25 H new ATOM 0 HG13 VAL A 36 16.986 9.739 0.062 1.00 50.25 H new ATOM 0 HG21 VAL A 36 18.590 11.834 -1.538 1.00 2.21 H new ATOM 0 HG22 VAL A 36 16.844 11.966 -1.217 1.00 2.21 H new ATOM 0 HG23 VAL A 36 17.939 13.287 -0.744 1.00 2.21 H new ATOM 257 N HIS A 37 16.163 14.317 1.871 1.00 64.35 N ATOM 258 CA HIS A 37 16.267 15.748 2.129 1.00 2.42 C ATOM 259 C HIS A 37 17.007 16.453 0.996 1.00 53.01 C ATOM 260 O HIS A 37 17.837 17.331 1.234 1.00 41.22 O ATOM 261 CB HIS A 37 16.986 15.998 3.455 1.00 22.44 C ATOM 262 CG HIS A 37 16.679 17.332 4.062 1.00 43.35 C ATOM 263 ND1 HIS A 37 17.053 17.681 5.342 1.00 4.30 N ATOM 264 CD2 HIS A 37 16.031 18.407 3.554 1.00 4.13 C ATOM 265 CE1 HIS A 37 16.647 18.912 5.597 1.00 42.31 C ATOM 266 NE2 HIS A 37 16.025 19.375 4.528 1.00 53.40 N ATOM 0 H HIS A 37 15.208 13.977 1.757 1.00 64.35 H new ATOM 0 HA HIS A 37 15.257 16.155 2.189 1.00 2.42 H new ATOM 0 HB2 HIS A 37 16.710 15.215 4.161 1.00 22.44 H new ATOM 0 HB3 HIS A 37 18.061 15.920 3.296 1.00 22.44 H new ATOM 0 HD2 HIS A 37 15.600 18.488 2.567 1.00 4.13 H new ATOM 0 HE1 HIS A 37 16.798 19.448 6.522 1.00 42.31 H new ATOM 0 HE2 HIS A 37 15.608 20.302 4.440 1.00 53.40 H new ATOM 274 N LEU A 38 16.701 16.062 -0.236 1.00 54.44 N ATOM 275 CA LEU A 38 17.337 16.656 -1.407 1.00 54.13 C ATOM 276 C LEU A 38 16.319 16.892 -2.519 1.00 61.40 C ATOM 277 O LEU A 38 16.671 16.923 -3.698 1.00 15.52 O ATOM 278 CB LEU A 38 18.462 15.753 -1.914 1.00 24.33 C ATOM 279 CG LEU A 38 19.558 15.415 -0.902 1.00 62.23 C ATOM 280 CD1 LEU A 38 20.329 14.180 -1.343 1.00 31.02 C ATOM 281 CD2 LEU A 38 20.500 16.597 -0.721 1.00 35.30 C ATOM 0 H LEU A 38 16.017 15.337 -0.450 1.00 54.44 H new ATOM 0 HA LEU A 38 17.756 17.618 -1.113 1.00 54.13 H new ATOM 0 HB2 LEU A 38 18.021 14.821 -2.267 1.00 24.33 H new ATOM 0 HB3 LEU A 38 18.926 16.233 -2.776 1.00 24.33 H new ATOM 0 HG LEU A 38 19.087 15.201 0.057 1.00 62.23 H new ATOM 0 HD11 LEU A 38 21.105 13.955 -0.611 1.00 31.02 H new ATOM 0 HD12 LEU A 38 19.647 13.334 -1.421 1.00 31.02 H new ATOM 0 HD13 LEU A 38 20.789 14.366 -2.314 1.00 31.02 H new ATOM 0 HD21 LEU A 38 21.273 16.339 0.002 1.00 35.30 H new ATOM 0 HD22 LEU A 38 20.964 16.842 -1.676 1.00 35.30 H new ATOM 0 HD23 LEU A 38 19.938 17.458 -0.359 1.00 35.30 H new ATOM 293 N GLU A 39 15.058 17.058 -2.134 1.00 74.02 N ATOM 294 CA GLU A 39 13.990 17.292 -3.099 1.00 52.12 C ATOM 295 C GLU A 39 14.294 18.513 -3.962 1.00 4.51 C ATOM 296 O GLU A 39 13.792 18.637 -5.079 1.00 2.44 O ATOM 297 CB GLU A 39 12.654 17.484 -2.379 1.00 33.55 C ATOM 298 CG GLU A 39 12.500 18.851 -1.734 1.00 41.02 C ATOM 299 CD GLU A 39 11.630 18.817 -0.493 1.00 73.30 C ATOM 300 OE1 GLU A 39 12.111 18.338 0.555 1.00 20.13 O ATOM 301 OE2 GLU A 39 10.468 19.268 -0.570 1.00 31.23 O ATOM 0 H GLU A 39 14.751 17.035 -1.162 1.00 74.02 H new ATOM 0 HA GLU A 39 13.923 16.418 -3.747 1.00 52.12 H new ATOM 0 HB2 GLU A 39 11.843 17.334 -3.091 1.00 33.55 H new ATOM 0 HB3 GLU A 39 12.551 16.716 -1.612 1.00 33.55 H new ATOM 0 HG2 GLU A 39 13.485 19.238 -1.472 1.00 41.02 H new ATOM 0 HG3 GLU A 39 12.068 19.543 -2.457 1.00 41.02 H new ATOM 308 N GLN A 40 15.120 19.412 -3.435 1.00 13.03 N ATOM 309 CA GLN A 40 15.490 20.624 -4.156 1.00 1.12 C ATOM 310 C GLN A 40 16.132 20.285 -5.497 1.00 25.12 C ATOM 311 O GLN A 40 16.096 21.083 -6.433 1.00 42.24 O ATOM 312 CB GLN A 40 16.450 21.469 -3.316 1.00 51.03 C ATOM 313 CG GLN A 40 17.784 20.790 -3.050 1.00 11.51 C ATOM 314 CD GLN A 40 18.912 21.378 -3.874 1.00 4.31 C ATOM 315 OE1 GLN A 40 18.692 21.900 -4.967 1.00 72.02 O ATOM 316 NE2 GLN A 40 20.131 21.297 -3.352 1.00 50.15 N ATOM 0 H GLN A 40 15.545 19.324 -2.512 1.00 13.03 H new ATOM 0 HA GLN A 40 14.582 21.197 -4.344 1.00 1.12 H new ATOM 0 HB2 GLN A 40 16.629 22.416 -3.826 1.00 51.03 H new ATOM 0 HB3 GLN A 40 15.975 21.705 -2.364 1.00 51.03 H new ATOM 0 HG2 GLN A 40 18.028 20.879 -1.991 1.00 11.51 H new ATOM 0 HG3 GLN A 40 17.696 19.726 -3.269 1.00 11.51 H new ATOM 0 HE21 GLN A 40 20.268 20.856 -2.443 1.00 50.15 H new ATOM 0 HE22 GLN A 40 20.930 21.676 -3.861 1.00 50.15 H new ATOM 325 N TYR A 41 16.720 19.097 -5.582 1.00 22.33 N ATOM 326 CA TYR A 41 17.373 18.653 -6.807 1.00 64.14 C ATOM 327 C TYR A 41 16.343 18.272 -7.866 1.00 64.43 C ATOM 328 O TYR A 41 16.686 18.029 -9.023 1.00 24.11 O ATOM 329 CB TYR A 41 18.290 17.463 -6.520 1.00 20.34 C ATOM 330 CG TYR A 41 19.759 17.819 -6.508 1.00 64.14 C ATOM 331 CD1 TYR A 41 20.335 18.508 -7.569 1.00 2.12 C ATOM 332 CD2 TYR A 41 20.572 17.466 -5.438 1.00 62.44 C ATOM 333 CE1 TYR A 41 21.677 18.835 -7.563 1.00 44.24 C ATOM 334 CE2 TYR A 41 21.915 17.790 -5.424 1.00 31.22 C ATOM 335 CZ TYR A 41 22.463 18.474 -6.489 1.00 11.35 C ATOM 336 OH TYR A 41 23.800 18.798 -6.478 1.00 64.24 O ATOM 0 H TYR A 41 16.758 18.424 -4.816 1.00 22.33 H new ATOM 0 HA TYR A 41 17.972 19.480 -7.189 1.00 64.14 H new ATOM 0 HB2 TYR A 41 18.021 17.033 -5.555 1.00 20.34 H new ATOM 0 HB3 TYR A 41 18.118 16.693 -7.272 1.00 20.34 H new ATOM 0 HD1 TYR A 41 19.723 18.792 -8.412 1.00 2.12 H new ATOM 0 HD2 TYR A 41 20.147 16.929 -4.603 1.00 62.44 H new ATOM 0 HE1 TYR A 41 22.109 19.371 -8.395 1.00 44.24 H new ATOM 0 HE2 TYR A 41 22.532 17.509 -4.584 1.00 31.22 H new ATOM 0 HH TYR A 41 24.209 18.472 -5.649 1.00 64.24 H new ATOM 346 N ALA A 42 15.079 18.222 -7.461 1.00 74.41 N ATOM 347 CA ALA A 42 13.997 17.873 -8.374 1.00 62.21 C ATOM 348 C ALA A 42 13.904 18.873 -9.522 1.00 34.33 C ATOM 349 O ALA A 42 13.419 18.545 -10.605 1.00 13.21 O ATOM 350 CB ALA A 42 12.675 17.802 -7.624 1.00 3.21 C ATOM 0 H ALA A 42 14.778 18.419 -6.506 1.00 74.41 H new ATOM 0 HA ALA A 42 14.214 16.892 -8.798 1.00 62.21 H new ATOM 0 HB1 ALA A 42 11.876 17.541 -8.318 1.00 3.21 H new ATOM 0 HB2 ALA A 42 12.740 17.044 -6.843 1.00 3.21 H new ATOM 0 HB3 ALA A 42 12.460 18.771 -7.172 1.00 3.21 H new ATOM 356 N ASP A 43 14.370 20.092 -9.277 1.00 13.31 N ATOM 357 CA ASP A 43 14.339 21.140 -10.290 1.00 52.35 C ATOM 358 C ASP A 43 15.127 20.723 -11.528 1.00 23.01 C ATOM 359 O ASP A 43 14.555 20.490 -12.593 1.00 61.22 O ATOM 360 CB ASP A 43 14.906 22.443 -9.725 1.00 14.42 C ATOM 361 CG ASP A 43 15.314 23.417 -10.812 1.00 43.33 C ATOM 362 OD1 ASP A 43 14.425 24.099 -11.363 1.00 74.51 O ATOM 363 OD2 ASP A 43 16.524 23.498 -11.113 1.00 71.44 O ATOM 0 H ASP A 43 14.774 20.379 -8.385 1.00 13.31 H new ATOM 0 HA ASP A 43 13.300 21.300 -10.579 1.00 52.35 H new ATOM 0 HB2 ASP A 43 14.160 22.912 -9.083 1.00 14.42 H new ATOM 0 HB3 ASP A 43 15.770 22.219 -9.099 1.00 14.42 H new ATOM 368 N THR A 44 16.445 20.631 -11.381 1.00 4.44 N ATOM 369 CA THR A 44 17.313 20.245 -12.486 1.00 30.31 C ATOM 370 C THR A 44 16.861 18.927 -13.105 1.00 13.11 C ATOM 371 O THR A 44 17.015 18.709 -14.307 1.00 24.23 O ATOM 372 CB THR A 44 18.778 20.108 -12.029 1.00 53.12 C ATOM 373 OG1 THR A 44 19.584 19.624 -13.109 1.00 4.13 O ATOM 374 CG2 THR A 44 18.889 19.162 -10.843 1.00 13.42 C ATOM 0 H THR A 44 16.935 20.819 -10.506 1.00 4.44 H new ATOM 0 HA THR A 44 17.245 21.037 -13.232 1.00 30.31 H new ATOM 0 HB THR A 44 19.134 21.092 -11.723 1.00 53.12 H new ATOM 0 HG1 THR A 44 20.462 19.356 -12.767 1.00 4.13 H new ATOM 0 HG21 THR A 44 19.932 19.081 -10.538 1.00 13.42 H new ATOM 0 HG22 THR A 44 18.297 19.548 -10.013 1.00 13.42 H new ATOM 0 HG23 THR A 44 18.517 18.178 -11.127 1.00 13.42 H new ATOM 382 N PHE A 45 16.300 18.051 -12.277 1.00 44.41 N ATOM 383 CA PHE A 45 15.825 16.754 -12.744 1.00 4.01 C ATOM 384 C PHE A 45 14.670 16.919 -13.727 1.00 45.43 C ATOM 385 O PHE A 45 14.706 16.388 -14.837 1.00 53.55 O ATOM 386 CB PHE A 45 15.382 15.893 -11.559 1.00 40.22 C ATOM 387 CG PHE A 45 16.235 14.674 -11.352 1.00 13.24 C ATOM 388 CD1 PHE A 45 17.586 14.797 -11.072 1.00 42.41 C ATOM 389 CD2 PHE A 45 15.685 13.405 -11.435 1.00 53.35 C ATOM 390 CE1 PHE A 45 18.373 13.677 -10.882 1.00 1.34 C ATOM 391 CE2 PHE A 45 16.467 12.281 -11.245 1.00 54.44 C ATOM 392 CZ PHE A 45 17.812 12.418 -10.967 1.00 64.11 C ATOM 0 H PHE A 45 16.163 18.216 -11.280 1.00 44.41 H new ATOM 0 HA PHE A 45 16.648 16.257 -13.258 1.00 4.01 H new ATOM 0 HB2 PHE A 45 15.401 16.498 -10.653 1.00 40.22 H new ATOM 0 HB3 PHE A 45 14.349 15.582 -11.712 1.00 40.22 H new ATOM 0 HD1 PHE A 45 18.029 15.779 -11.001 1.00 42.41 H new ATOM 0 HD2 PHE A 45 14.633 13.293 -11.651 1.00 53.35 H new ATOM 0 HE1 PHE A 45 19.426 13.786 -10.667 1.00 1.34 H new ATOM 0 HE2 PHE A 45 16.026 11.297 -11.314 1.00 54.44 H new ATOM 0 HZ PHE A 45 18.425 11.542 -10.816 1.00 64.11 H new ATOM 402 N ARG A 46 13.648 17.659 -13.311 1.00 33.23 N ATOM 403 CA ARG A 46 12.481 17.893 -14.153 1.00 41.01 C ATOM 404 C ARG A 46 12.887 18.534 -15.477 1.00 74.23 C ATOM 405 O ARG A 46 12.420 18.129 -16.542 1.00 44.15 O ATOM 406 CB ARG A 46 11.474 18.788 -13.429 1.00 32.23 C ATOM 407 CG ARG A 46 10.957 18.195 -12.128 1.00 64.40 C ATOM 408 CD ARG A 46 10.660 19.277 -11.102 1.00 32.53 C ATOM 409 NE ARG A 46 9.225 19.480 -10.921 1.00 50.24 N ATOM 410 CZ ARG A 46 8.709 20.345 -10.056 1.00 15.24 C ATOM 411 NH1 ARG A 46 9.506 21.083 -9.295 1.00 54.24 N ATOM 412 NH2 ARG A 46 7.392 20.474 -9.949 1.00 61.44 N ATOM 0 H ARG A 46 13.604 18.107 -12.396 1.00 33.23 H new ATOM 0 HA ARG A 46 12.016 16.930 -14.362 1.00 41.01 H new ATOM 0 HB2 ARG A 46 11.941 19.750 -13.220 1.00 32.23 H new ATOM 0 HB3 ARG A 46 10.630 18.981 -14.091 1.00 32.23 H new ATOM 0 HG2 ARG A 46 10.052 17.619 -12.323 1.00 64.40 H new ATOM 0 HG3 ARG A 46 11.695 17.502 -11.724 1.00 64.40 H new ATOM 0 HD2 ARG A 46 11.111 19.005 -10.148 1.00 32.53 H new ATOM 0 HD3 ARG A 46 11.122 20.213 -11.418 1.00 32.53 H new ATOM 0 HE ARG A 46 8.584 18.927 -11.490 1.00 50.24 H new ATOM 0 HH11 ARG A 46 10.518 20.987 -9.373 1.00 54.24 H new ATOM 0 HH12 ARG A 46 9.107 21.747 -8.631 1.00 54.24 H new ATOM 0 HH21 ARG A 46 6.775 19.908 -10.532 1.00 61.44 H new ATOM 0 HH22 ARG A 46 6.997 21.139 -9.284 1.00 61.44 H new ATOM 426 N ARG A 47 13.757 19.535 -15.402 1.00 53.41 N ATOM 427 CA ARG A 47 14.223 20.233 -16.594 1.00 44.21 C ATOM 428 C ARG A 47 15.008 19.292 -17.503 1.00 23.31 C ATOM 429 O ARG A 47 15.236 19.590 -18.676 1.00 13.22 O ATOM 430 CB ARG A 47 15.096 21.427 -16.203 1.00 41.22 C ATOM 431 CG ARG A 47 15.082 22.553 -17.225 1.00 34.43 C ATOM 432 CD ARG A 47 13.988 23.565 -16.922 1.00 42.34 C ATOM 433 NE ARG A 47 13.356 24.068 -18.139 1.00 72.32 N ATOM 434 CZ ARG A 47 13.891 25.006 -18.912 1.00 42.11 C ATOM 435 NH1 ARG A 47 15.063 25.541 -18.596 1.00 73.25 N ATOM 436 NH2 ARG A 47 13.255 25.411 -20.004 1.00 33.03 N ATOM 0 H ARG A 47 14.154 19.881 -14.528 1.00 53.41 H new ATOM 0 HA ARG A 47 13.350 20.592 -17.139 1.00 44.21 H new ATOM 0 HB2 ARG A 47 14.757 21.815 -15.243 1.00 41.22 H new ATOM 0 HB3 ARG A 47 16.122 21.086 -16.065 1.00 41.22 H new ATOM 0 HG2 ARG A 47 16.051 23.053 -17.231 1.00 34.43 H new ATOM 0 HG3 ARG A 47 14.931 22.139 -18.222 1.00 34.43 H new ATOM 0 HD2 ARG A 47 13.233 23.103 -16.286 1.00 42.34 H new ATOM 0 HD3 ARG A 47 14.411 24.399 -16.362 1.00 42.34 H new ATOM 0 HE ARG A 47 12.454 23.677 -18.410 1.00 72.32 H new ATOM 0 HH11 ARG A 47 15.555 25.232 -17.758 1.00 73.25 H new ATOM 0 HH12 ARG A 47 15.472 26.261 -19.191 1.00 73.25 H new ATOM 0 HH21 ARG A 47 12.354 25.002 -20.251 1.00 33.03 H new ATOM 0 HH22 ARG A 47 13.667 26.132 -20.597 1.00 33.03 H new ATOM 450 N HIS A 48 15.420 18.154 -16.953 1.00 64.32 N ATOM 451 CA HIS A 48 16.180 17.168 -17.714 1.00 40.22 C ATOM 452 C HIS A 48 15.246 16.232 -18.475 1.00 41.02 C ATOM 453 O HIS A 48 15.692 15.401 -19.265 1.00 24.33 O ATOM 454 CB HIS A 48 17.084 16.360 -16.783 1.00 33.42 C ATOM 455 CG HIS A 48 18.497 16.249 -17.267 1.00 33.03 C ATOM 456 ND1 HIS A 48 19.152 15.044 -17.407 1.00 71.23 N ATOM 457 CD2 HIS A 48 19.380 17.202 -17.645 1.00 41.11 C ATOM 458 CE1 HIS A 48 20.378 15.261 -17.850 1.00 33.53 C ATOM 459 NE2 HIS A 48 20.541 16.562 -18.003 1.00 3.23 N ATOM 0 H HIS A 48 15.241 17.892 -15.984 1.00 64.32 H new ATOM 0 HA HIS A 48 16.799 17.701 -18.436 1.00 40.22 H new ATOM 0 HB2 HIS A 48 17.082 16.823 -15.796 1.00 33.42 H new ATOM 0 HB3 HIS A 48 16.669 15.359 -16.666 1.00 33.42 H new ATOM 0 HD2 HIS A 48 19.204 18.267 -17.662 1.00 41.11 H new ATOM 0 HE1 HIS A 48 21.120 14.503 -18.052 1.00 33.53 H new ATOM 0 HE2 HIS A 48 21.391 17.018 -18.334 1.00 3.23 H new ATOM 467 N GLY A 49 13.947 16.373 -18.231 1.00 54.03 N ATOM 468 CA GLY A 49 12.971 15.533 -18.901 1.00 33.14 C ATOM 469 C GLY A 49 12.495 14.389 -18.028 1.00 21.53 C ATOM 470 O GLY A 49 11.897 13.430 -18.519 1.00 24.01 O ATOM 0 H GLY A 49 13.553 17.054 -17.582 1.00 54.03 H new ATOM 0 HA2 GLY A 49 12.116 16.140 -19.197 1.00 33.14 H new ATOM 0 HA3 GLY A 49 13.408 15.131 -19.815 1.00 33.14 H new ATOM 474 N LEU A 50 12.761 14.486 -16.730 1.00 3.30 N ATOM 475 CA LEU A 50 12.358 13.450 -15.786 1.00 33.01 C ATOM 476 C LEU A 50 11.821 14.066 -14.498 1.00 21.12 C ATOM 477 O LEU A 50 12.582 14.372 -13.581 1.00 1.24 O ATOM 478 CB LEU A 50 13.539 12.531 -15.471 1.00 62.35 C ATOM 479 CG LEU A 50 14.928 13.158 -15.591 1.00 44.41 C ATOM 480 CD1 LEU A 50 15.869 12.576 -14.548 1.00 30.14 C ATOM 481 CD2 LEU A 50 15.488 12.952 -16.991 1.00 22.11 C ATOM 0 H LEU A 50 13.254 15.272 -16.307 1.00 3.30 H new ATOM 0 HA LEU A 50 11.563 12.864 -16.246 1.00 33.01 H new ATOM 0 HB2 LEU A 50 13.419 12.154 -14.455 1.00 62.35 H new ATOM 0 HB3 LEU A 50 13.492 11.670 -16.138 1.00 62.35 H new ATOM 0 HG LEU A 50 14.838 14.229 -15.412 1.00 44.41 H new ATOM 0 HD11 LEU A 50 16.853 13.035 -14.649 1.00 30.14 H new ATOM 0 HD12 LEU A 50 15.476 12.776 -13.551 1.00 30.14 H new ATOM 0 HD13 LEU A 50 15.954 11.499 -14.695 1.00 30.14 H new ATOM 0 HD21 LEU A 50 16.477 13.405 -17.057 1.00 22.11 H new ATOM 0 HD22 LEU A 50 15.563 11.885 -17.200 1.00 22.11 H new ATOM 0 HD23 LEU A 50 14.826 13.419 -17.720 1.00 22.11 H new ATOM 493 N ALA A 51 10.505 14.242 -14.436 1.00 3.52 N ATOM 494 CA ALA A 51 9.866 14.817 -13.259 1.00 4.54 C ATOM 495 C ALA A 51 9.268 13.730 -12.372 1.00 41.25 C ATOM 496 O ALA A 51 8.495 14.015 -11.457 1.00 41.51 O ATOM 497 CB ALA A 51 8.793 15.813 -13.674 1.00 31.31 C ATOM 0 H ALA A 51 9.861 13.995 -15.187 1.00 3.52 H new ATOM 0 HA ALA A 51 10.628 15.341 -12.682 1.00 4.54 H new ATOM 0 HB1 ALA A 51 8.324 16.234 -12.785 1.00 31.31 H new ATOM 0 HB2 ALA A 51 9.246 16.613 -14.259 1.00 31.31 H new ATOM 0 HB3 ALA A 51 8.039 15.306 -14.276 1.00 31.31 H new ATOM 503 N THR A 52 9.629 12.481 -12.650 1.00 45.32 N ATOM 504 CA THR A 52 9.127 11.351 -11.880 1.00 31.13 C ATOM 505 C THR A 52 10.187 10.264 -11.742 1.00 3.51 C ATOM 506 O THR A 52 11.053 10.116 -12.604 1.00 31.01 O ATOM 507 CB THR A 52 7.868 10.744 -12.528 1.00 1.42 C ATOM 508 OG1 THR A 52 8.214 10.096 -13.757 1.00 13.30 O ATOM 509 CG2 THR A 52 6.824 11.819 -12.791 1.00 70.14 C ATOM 0 H THR A 52 10.268 12.227 -13.404 1.00 45.32 H new ATOM 0 HA THR A 52 8.871 11.732 -10.892 1.00 31.13 H new ATOM 0 HB THR A 52 7.447 10.012 -11.838 1.00 1.42 H new ATOM 0 HG1 THR A 52 7.409 9.711 -14.162 1.00 13.30 H new ATOM 0 HG21 THR A 52 5.944 11.367 -13.249 1.00 70.14 H new ATOM 0 HG22 THR A 52 6.542 12.290 -11.850 1.00 70.14 H new ATOM 0 HG23 THR A 52 7.237 12.571 -13.463 1.00 70.14 H new ATOM 517 N ALA A 53 10.113 9.507 -10.653 1.00 24.33 N ATOM 518 CA ALA A 53 11.066 8.432 -10.404 1.00 32.41 C ATOM 519 C ALA A 53 10.999 7.374 -11.501 1.00 2.42 C ATOM 520 O ALA A 53 11.921 6.577 -11.665 1.00 24.13 O ATOM 521 CB ALA A 53 10.806 7.801 -9.044 1.00 23.12 C ATOM 0 H ALA A 53 9.403 9.618 -9.929 1.00 24.33 H new ATOM 0 HA ALA A 53 12.068 8.860 -10.409 1.00 32.41 H new ATOM 0 HB1 ALA A 53 11.525 7.000 -8.871 1.00 23.12 H new ATOM 0 HB2 ALA A 53 10.911 8.557 -8.266 1.00 23.12 H new ATOM 0 HB3 ALA A 53 9.795 7.393 -9.019 1.00 23.12 H new ATOM 527 N GLY A 54 9.901 7.374 -12.250 1.00 34.30 N ATOM 528 CA GLY A 54 9.734 6.409 -13.321 1.00 50.14 C ATOM 529 C GLY A 54 10.405 6.849 -14.607 1.00 45.11 C ATOM 530 O GLY A 54 10.764 6.020 -15.443 1.00 54.23 O ATOM 0 H GLY A 54 9.124 8.025 -12.134 1.00 34.30 H new ATOM 0 HA2 GLY A 54 10.147 5.450 -13.009 1.00 50.14 H new ATOM 0 HA3 GLY A 54 8.671 6.254 -13.504 1.00 50.14 H new ATOM 534 N ALA A 55 10.575 8.158 -14.767 1.00 22.54 N ATOM 535 CA ALA A 55 11.208 8.706 -15.959 1.00 62.05 C ATOM 536 C ALA A 55 12.703 8.912 -15.742 1.00 4.30 C ATOM 537 O ALA A 55 13.436 9.245 -16.673 1.00 75.15 O ATOM 538 CB ALA A 55 10.544 10.017 -16.354 1.00 24.01 C ATOM 0 H ALA A 55 10.283 8.858 -14.085 1.00 22.54 H new ATOM 0 HA ALA A 55 11.081 7.989 -16.770 1.00 62.05 H new ATOM 0 HB1 ALA A 55 11.027 10.415 -17.246 1.00 24.01 H new ATOM 0 HB2 ALA A 55 9.488 9.842 -16.560 1.00 24.01 H new ATOM 0 HB3 ALA A 55 10.641 10.734 -15.539 1.00 24.01 H new ATOM 544 N ALA A 56 13.150 8.714 -14.506 1.00 72.51 N ATOM 545 CA ALA A 56 14.558 8.877 -14.167 1.00 60.31 C ATOM 546 C ALA A 56 15.215 7.529 -13.886 1.00 53.42 C ATOM 547 O ALA A 56 16.439 7.407 -13.916 1.00 4.15 O ATOM 548 CB ALA A 56 14.708 9.800 -12.967 1.00 24.21 C ATOM 0 H ALA A 56 12.557 8.440 -13.723 1.00 72.51 H new ATOM 0 HA ALA A 56 15.063 9.326 -15.022 1.00 60.31 H new ATOM 0 HB1 ALA A 56 15.765 9.913 -12.725 1.00 24.21 H new ATOM 0 HB2 ALA A 56 14.284 10.776 -13.203 1.00 24.21 H new ATOM 0 HB3 ALA A 56 14.183 9.374 -12.112 1.00 24.21 H new ATOM 554 N ARG A 57 14.393 6.521 -13.613 1.00 51.25 N ATOM 555 CA ARG A 57 14.895 5.183 -13.325 1.00 53.03 C ATOM 556 C ARG A 57 15.884 4.731 -14.396 1.00 11.13 C ATOM 557 O ARG A 57 15.492 4.362 -15.502 1.00 33.03 O ATOM 558 CB ARG A 57 13.735 4.189 -13.235 1.00 4.03 C ATOM 559 CG ARG A 57 13.567 3.574 -11.855 1.00 52.00 C ATOM 560 CD ARG A 57 13.600 2.055 -11.915 1.00 35.24 C ATOM 561 NE ARG A 57 12.920 1.448 -10.773 1.00 72.44 N ATOM 562 CZ ARG A 57 13.055 0.171 -10.432 1.00 2.25 C ATOM 563 NH1 ARG A 57 13.841 -0.628 -11.139 1.00 24.30 N ATOM 564 NH2 ARG A 57 12.404 -0.308 -9.379 1.00 54.25 N ATOM 0 H ARG A 57 13.377 6.606 -13.585 1.00 51.25 H new ATOM 0 HA ARG A 57 15.413 5.215 -12.367 1.00 53.03 H new ATOM 0 HB2 ARG A 57 12.811 4.696 -13.513 1.00 4.03 H new ATOM 0 HB3 ARG A 57 13.893 3.392 -13.962 1.00 4.03 H new ATOM 0 HG2 ARG A 57 14.360 3.931 -11.197 1.00 52.00 H new ATOM 0 HG3 ARG A 57 12.622 3.902 -11.422 1.00 52.00 H new ATOM 0 HD2 ARG A 57 13.129 1.718 -12.839 1.00 35.24 H new ATOM 0 HD3 ARG A 57 14.635 1.716 -11.943 1.00 35.24 H new ATOM 0 HE ARG A 57 12.309 2.036 -10.207 1.00 72.44 H new ATOM 0 HH11 ARG A 57 14.344 -0.263 -11.948 1.00 24.30 H new ATOM 0 HH12 ARG A 57 13.943 -1.608 -10.875 1.00 24.30 H new ATOM 0 HH21 ARG A 57 11.800 0.304 -8.831 1.00 54.25 H new ATOM 0 HH22 ARG A 57 12.508 -1.288 -9.118 1.00 54.25 H new ATOM 578 N GLY A 58 17.170 4.764 -14.058 1.00 34.20 N ATOM 579 CA GLY A 58 18.195 4.356 -15.001 1.00 13.03 C ATOM 580 C GLY A 58 19.450 5.199 -14.893 1.00 52.22 C ATOM 581 O GLY A 58 20.540 4.752 -15.253 1.00 12.31 O ATOM 0 H GLY A 58 17.520 5.066 -13.149 1.00 34.20 H new ATOM 0 HA2 GLY A 58 18.448 3.310 -14.828 1.00 13.03 H new ATOM 0 HA3 GLY A 58 17.800 4.425 -16.015 1.00 13.03 H new ATOM 585 N LEU A 59 19.298 6.423 -14.399 1.00 31.23 N ATOM 586 CA LEU A 59 20.428 7.332 -14.246 1.00 43.23 C ATOM 587 C LEU A 59 21.567 6.663 -13.483 1.00 73.31 C ATOM 588 O LEU A 59 21.335 5.869 -12.573 1.00 34.45 O ATOM 589 CB LEU A 59 19.990 8.604 -13.519 1.00 1.43 C ATOM 590 CG LEU A 59 19.603 9.786 -14.408 1.00 15.52 C ATOM 591 CD1 LEU A 59 18.990 10.902 -13.575 1.00 44.45 C ATOM 592 CD2 LEU A 59 20.813 10.295 -15.177 1.00 22.21 C ATOM 0 H LEU A 59 18.403 6.809 -14.098 1.00 31.23 H new ATOM 0 HA LEU A 59 20.788 7.595 -15.241 1.00 43.23 H new ATOM 0 HB2 LEU A 59 19.139 8.360 -12.883 1.00 1.43 H new ATOM 0 HB3 LEU A 59 20.800 8.920 -12.861 1.00 1.43 H new ATOM 0 HG LEU A 59 18.858 9.446 -15.127 1.00 15.52 H new ATOM 0 HD11 LEU A 59 18.721 11.735 -14.224 1.00 44.45 H new ATOM 0 HD12 LEU A 59 18.097 10.532 -13.071 1.00 44.45 H new ATOM 0 HD13 LEU A 59 19.712 11.240 -12.832 1.00 44.45 H new ATOM 0 HD21 LEU A 59 20.518 11.136 -15.804 1.00 22.21 H new ATOM 0 HD22 LEU A 59 21.581 10.618 -14.474 1.00 22.21 H new ATOM 0 HD23 LEU A 59 21.208 9.496 -15.804 1.00 22.21 H new ATOM 604 N GLY A 60 22.799 6.991 -13.860 1.00 72.11 N ATOM 605 CA GLY A 60 23.955 6.414 -13.200 1.00 1.04 C ATOM 606 C GLY A 60 24.837 7.464 -12.552 1.00 74.42 C ATOM 607 O GLY A 60 24.567 8.661 -12.655 1.00 71.22 O ATOM 0 H GLY A 60 23.017 7.646 -14.611 1.00 72.11 H new ATOM 0 HA2 GLY A 60 23.621 5.706 -12.441 1.00 1.04 H new ATOM 0 HA3 GLY A 60 24.540 5.850 -13.926 1.00 1.04 H new ATOM 611 N HIS A 61 25.893 7.015 -11.881 1.00 52.22 N ATOM 612 CA HIS A 61 26.817 7.925 -11.213 1.00 33.10 C ATOM 613 C HIS A 61 27.437 8.898 -12.210 1.00 44.34 C ATOM 614 O HIS A 61 27.502 10.101 -11.959 1.00 52.12 O ATOM 615 CB HIS A 61 27.916 7.136 -10.500 1.00 50.54 C ATOM 616 CG HIS A 61 27.768 7.116 -9.010 1.00 63.11 C ATOM 617 ND1 HIS A 61 27.522 8.248 -8.263 1.00 10.15 N ATOM 618 CD2 HIS A 61 27.832 6.091 -8.128 1.00 73.03 C ATOM 619 CE1 HIS A 61 27.442 7.921 -6.985 1.00 61.21 C ATOM 620 NE2 HIS A 61 27.626 6.617 -6.877 1.00 10.33 N ATOM 0 H HIS A 61 26.130 6.028 -11.785 1.00 52.22 H new ATOM 0 HA HIS A 61 26.255 8.498 -10.476 1.00 33.10 H new ATOM 0 HB2 HIS A 61 27.915 6.111 -10.871 1.00 50.54 H new ATOM 0 HB3 HIS A 61 28.885 7.566 -10.755 1.00 50.54 H new ATOM 0 HD2 HIS A 61 28.012 5.053 -8.365 1.00 73.03 H new ATOM 0 HE1 HIS A 61 27.258 8.603 -6.168 1.00 61.21 H new ATOM 0 HE2 HIS A 61 27.617 6.087 -6.005 1.00 10.33 H new ATOM 628 N GLU A 62 27.893 8.369 -13.341 1.00 61.15 N ATOM 629 CA GLU A 62 28.510 9.192 -14.375 1.00 60.22 C ATOM 630 C GLU A 62 27.493 10.151 -14.986 1.00 13.52 C ATOM 631 O GLU A 62 27.845 11.240 -15.438 1.00 45.10 O ATOM 632 CB GLU A 62 29.114 8.308 -15.469 1.00 3.44 C ATOM 633 CG GLU A 62 30.531 7.850 -15.167 1.00 20.44 C ATOM 634 CD GLU A 62 31.581 8.766 -15.764 1.00 51.21 C ATOM 635 OE1 GLU A 62 31.737 8.760 -17.003 1.00 60.03 O ATOM 636 OE2 GLU A 62 32.246 9.489 -14.993 1.00 42.04 O ATOM 0 H GLU A 62 27.847 7.375 -13.565 1.00 61.15 H new ATOM 0 HA GLU A 62 29.304 9.778 -13.911 1.00 60.22 H new ATOM 0 HB2 GLU A 62 28.480 7.432 -15.608 1.00 3.44 H new ATOM 0 HB3 GLU A 62 29.111 8.857 -16.411 1.00 3.44 H new ATOM 0 HG2 GLU A 62 30.670 7.800 -14.087 1.00 20.44 H new ATOM 0 HG3 GLU A 62 30.673 6.841 -15.554 1.00 20.44 H new ATOM 643 N GLU A 63 26.229 9.738 -14.995 1.00 2.11 N ATOM 644 CA GLU A 63 25.161 10.560 -15.551 1.00 42.32 C ATOM 645 C GLU A 63 24.750 11.655 -14.571 1.00 23.04 C ATOM 646 O GLU A 63 24.434 12.776 -14.971 1.00 2.23 O ATOM 647 CB GLU A 63 23.950 9.694 -15.902 1.00 30.42 C ATOM 648 CG GLU A 63 24.314 8.388 -16.588 1.00 61.20 C ATOM 649 CD GLU A 63 25.290 8.582 -17.732 1.00 4.31 C ATOM 650 OE1 GLU A 63 25.085 9.515 -18.536 1.00 53.01 O ATOM 651 OE2 GLU A 63 26.261 7.801 -17.822 1.00 52.21 O ATOM 0 H GLU A 63 25.920 8.840 -14.624 1.00 2.11 H new ATOM 0 HA GLU A 63 25.537 11.032 -16.459 1.00 42.32 H new ATOM 0 HB2 GLU A 63 23.395 9.473 -14.990 1.00 30.42 H new ATOM 0 HB3 GLU A 63 23.284 10.262 -16.551 1.00 30.42 H new ATOM 0 HG2 GLU A 63 24.748 7.707 -15.857 1.00 61.20 H new ATOM 0 HG3 GLU A 63 23.407 7.915 -16.965 1.00 61.20 H new ATOM 658 N LEU A 64 24.757 11.322 -13.285 1.00 33.33 N ATOM 659 CA LEU A 64 24.384 12.275 -12.245 1.00 44.23 C ATOM 660 C LEU A 64 25.419 13.390 -12.133 1.00 41.45 C ATOM 661 O LEU A 64 25.097 14.515 -11.749 1.00 61.11 O ATOM 662 CB LEU A 64 24.239 11.562 -10.900 1.00 0.12 C ATOM 663 CG LEU A 64 22.817 11.170 -10.498 1.00 73.13 C ATOM 664 CD1 LEU A 64 22.516 9.742 -10.926 1.00 31.21 C ATOM 665 CD2 LEU A 64 22.622 11.331 -8.998 1.00 4.43 C ATOM 0 H LEU A 64 25.017 10.399 -12.937 1.00 33.33 H new ATOM 0 HA LEU A 64 23.427 12.718 -12.519 1.00 44.23 H new ATOM 0 HB2 LEU A 64 24.851 10.660 -10.922 1.00 0.12 H new ATOM 0 HB3 LEU A 64 24.650 12.207 -10.123 1.00 0.12 H new ATOM 0 HG LEU A 64 22.120 11.835 -11.008 1.00 73.13 H new ATOM 0 HD11 LEU A 64 21.500 9.480 -10.632 1.00 31.21 H new ATOM 0 HD12 LEU A 64 22.613 9.658 -12.008 1.00 31.21 H new ATOM 0 HD13 LEU A 64 23.219 9.062 -10.445 1.00 31.21 H new ATOM 0 HD21 LEU A 64 21.604 11.047 -8.731 1.00 4.43 H new ATOM 0 HD22 LEU A 64 23.328 10.691 -8.469 1.00 4.43 H new ATOM 0 HD23 LEU A 64 22.794 12.370 -8.718 1.00 4.43 H new ATOM 677 N LYS A 65 26.663 13.072 -12.474 1.00 4.22 N ATOM 678 CA LYS A 65 27.746 14.047 -12.416 1.00 21.04 C ATOM 679 C LYS A 65 27.504 15.188 -13.399 1.00 25.13 C ATOM 680 O LYS A 65 27.740 16.353 -13.080 1.00 53.12 O ATOM 681 CB LYS A 65 29.085 13.372 -12.721 1.00 20.41 C ATOM 682 CG LYS A 65 29.638 12.565 -11.559 1.00 23.11 C ATOM 683 CD LYS A 65 31.158 12.541 -11.570 1.00 75.31 C ATOM 684 CE LYS A 65 31.704 11.438 -10.676 1.00 0.42 C ATOM 685 NZ LYS A 65 32.550 11.983 -9.578 1.00 44.12 N ATOM 0 H LYS A 65 26.947 12.146 -12.794 1.00 4.22 H new ATOM 0 HA LYS A 65 27.776 14.460 -11.408 1.00 21.04 H new ATOM 0 HB2 LYS A 65 28.964 12.716 -13.583 1.00 20.41 H new ATOM 0 HB3 LYS A 65 29.811 14.135 -13.001 1.00 20.41 H new ATOM 0 HG2 LYS A 65 29.287 12.991 -10.619 1.00 23.11 H new ATOM 0 HG3 LYS A 65 29.257 11.545 -11.609 1.00 23.11 H new ATOM 0 HD2 LYS A 65 31.513 12.394 -12.590 1.00 75.31 H new ATOM 0 HD3 LYS A 65 31.541 13.505 -11.235 1.00 75.31 H new ATOM 0 HE2 LYS A 65 30.876 10.872 -10.250 1.00 0.42 H new ATOM 0 HE3 LYS A 65 32.291 10.742 -11.275 1.00 0.42 H new ATOM 0 HZ1 LYS A 65 32.903 11.201 -8.991 1.00 44.12 H new ATOM 0 HZ2 LYS A 65 33.355 12.501 -9.984 1.00 44.12 H new ATOM 0 HZ3 LYS A 65 31.984 12.628 -8.991 1.00 44.12 H new ATOM 699 N GLN A 66 27.033 14.844 -14.593 1.00 13.22 N ATOM 700 CA GLN A 66 26.759 15.841 -15.621 1.00 72.12 C ATOM 701 C GLN A 66 25.390 16.479 -15.410 1.00 75.42 C ATOM 702 O GLN A 66 25.065 17.495 -16.026 1.00 74.32 O ATOM 703 CB GLN A 66 26.829 15.204 -17.010 1.00 44.02 C ATOM 704 CG GLN A 66 27.538 16.068 -18.040 1.00 44.24 C ATOM 705 CD GLN A 66 26.615 16.527 -19.152 1.00 3.43 C ATOM 706 OE1 GLN A 66 25.689 15.814 -19.540 1.00 4.42 O ATOM 707 NE2 GLN A 66 26.863 17.724 -19.671 1.00 12.43 N ATOM 0 H GLN A 66 26.833 13.884 -14.872 1.00 13.22 H new ATOM 0 HA GLN A 66 27.518 16.620 -15.547 1.00 72.12 H new ATOM 0 HB2 GLN A 66 27.343 14.246 -16.936 1.00 44.02 H new ATOM 0 HB3 GLN A 66 25.817 14.996 -17.357 1.00 44.02 H new ATOM 0 HG2 GLN A 66 27.966 16.940 -17.545 1.00 44.24 H new ATOM 0 HG3 GLN A 66 28.368 15.507 -18.470 1.00 44.24 H new ATOM 0 HE21 GLN A 66 27.641 18.281 -19.319 1.00 12.43 H new ATOM 0 HE22 GLN A 66 26.275 18.086 -20.422 1.00 12.43 H new ATOM 716 N LEU A 67 24.590 15.876 -14.537 1.00 2.22 N ATOM 717 CA LEU A 67 23.255 16.385 -14.244 1.00 53.14 C ATOM 718 C LEU A 67 23.329 17.679 -13.440 1.00 20.35 C ATOM 719 O LEU A 67 22.395 18.479 -13.445 1.00 1.55 O ATOM 720 CB LEU A 67 22.446 15.339 -13.476 1.00 33.30 C ATOM 721 CG LEU A 67 21.222 14.773 -14.198 1.00 64.01 C ATOM 722 CD1 LEU A 67 20.468 13.809 -13.296 1.00 22.14 C ATOM 723 CD2 LEU A 67 20.309 15.898 -14.661 1.00 53.33 C ATOM 0 H LEU A 67 24.843 15.034 -14.020 1.00 2.22 H new ATOM 0 HA LEU A 67 22.758 16.596 -15.191 1.00 53.14 H new ATOM 0 HB2 LEU A 67 23.108 14.511 -13.222 1.00 33.30 H new ATOM 0 HB3 LEU A 67 22.116 15.782 -12.537 1.00 33.30 H new ATOM 0 HG LEU A 67 21.563 14.224 -15.076 1.00 64.01 H new ATOM 0 HD11 LEU A 67 19.601 13.417 -13.827 1.00 22.14 H new ATOM 0 HD12 LEU A 67 21.124 12.985 -13.014 1.00 22.14 H new ATOM 0 HD13 LEU A 67 20.138 14.333 -12.399 1.00 22.14 H new ATOM 0 HD21 LEU A 67 19.443 15.477 -15.173 1.00 53.33 H new ATOM 0 HD22 LEU A 67 19.976 16.474 -13.798 1.00 53.33 H new ATOM 0 HD23 LEU A 67 20.853 16.550 -15.345 1.00 53.33 H new ATOM 735 N GLY A 68 24.448 17.877 -12.750 1.00 3.13 N ATOM 736 CA GLY A 68 24.625 19.076 -11.951 1.00 51.13 C ATOM 737 C GLY A 68 24.897 18.766 -10.493 1.00 2.43 C ATOM 738 O GLY A 68 24.795 19.644 -9.635 1.00 53.54 O ATOM 0 H GLY A 68 25.235 17.229 -12.730 1.00 3.13 H new ATOM 0 HA2 GLY A 68 25.452 19.660 -12.356 1.00 51.13 H new ATOM 0 HA3 GLY A 68 23.731 19.695 -12.027 1.00 51.13 H new ATOM 742 N ILE A 69 25.243 17.515 -10.210 1.00 3.23 N ATOM 743 CA ILE A 69 25.530 17.093 -8.845 1.00 22.45 C ATOM 744 C ILE A 69 27.029 16.913 -8.628 1.00 71.12 C ATOM 745 O ILE A 69 27.653 16.039 -9.230 1.00 30.23 O ATOM 746 CB ILE A 69 24.812 15.775 -8.500 1.00 74.44 C ATOM 747 CG1 ILE A 69 23.330 15.864 -8.871 1.00 52.41 C ATOM 748 CG2 ILE A 69 24.975 15.452 -7.023 1.00 11.55 C ATOM 749 CD1 ILE A 69 22.578 14.567 -8.674 1.00 60.45 C ATOM 0 H ILE A 69 25.331 16.776 -10.908 1.00 3.23 H new ATOM 0 HA ILE A 69 25.162 17.881 -8.188 1.00 22.45 H new ATOM 0 HB ILE A 69 25.265 14.970 -9.079 1.00 74.44 H new ATOM 0 HG12 ILE A 69 22.860 16.642 -8.270 1.00 52.41 H new ATOM 0 HG13 ILE A 69 23.243 16.170 -9.913 1.00 52.41 H new ATOM 0 HG21 ILE A 69 24.462 14.518 -6.796 1.00 11.55 H new ATOM 0 HG22 ILE A 69 26.034 15.350 -6.788 1.00 11.55 H new ATOM 0 HG23 ILE A 69 24.546 16.256 -6.425 1.00 11.55 H new ATOM 0 HD11 ILE A 69 21.534 14.705 -8.957 1.00 60.45 H new ATOM 0 HD12 ILE A 69 23.023 13.790 -9.296 1.00 60.45 H new ATOM 0 HD13 ILE A 69 22.634 14.269 -7.627 1.00 60.45 H new ATOM 761 N SER A 70 27.600 17.745 -7.764 1.00 5.23 N ATOM 762 CA SER A 70 29.027 17.680 -7.469 1.00 20.13 C ATOM 763 C SER A 70 29.270 17.054 -6.099 1.00 3.24 C ATOM 764 O SER A 70 30.345 16.517 -5.832 1.00 34.25 O ATOM 765 CB SER A 70 29.645 19.079 -7.520 1.00 74.30 C ATOM 766 OG SER A 70 29.052 19.933 -6.557 1.00 43.32 O ATOM 0 H SER A 70 27.097 18.472 -7.256 1.00 5.23 H new ATOM 0 HA SER A 70 29.501 17.054 -8.225 1.00 20.13 H new ATOM 0 HB2 SER A 70 30.718 19.013 -7.341 1.00 74.30 H new ATOM 0 HB3 SER A 70 29.514 19.502 -8.516 1.00 74.30 H new ATOM 0 HG SER A 70 29.465 20.820 -6.608 1.00 43.32 H new ATOM 772 N ALA A 71 28.264 17.129 -5.234 1.00 32.20 N ATOM 773 CA ALA A 71 28.366 16.569 -3.892 1.00 63.32 C ATOM 774 C ALA A 71 28.301 15.046 -3.927 1.00 31.53 C ATOM 775 O ALA A 71 27.221 14.462 -4.029 1.00 64.33 O ATOM 776 CB ALA A 71 27.265 17.126 -3.002 1.00 45.10 C ATOM 0 H ALA A 71 27.369 17.572 -5.439 1.00 32.20 H new ATOM 0 HA ALA A 71 29.332 16.856 -3.478 1.00 63.32 H new ATOM 0 HB1 ALA A 71 27.354 16.699 -2.003 1.00 45.10 H new ATOM 0 HB2 ALA A 71 27.359 18.210 -2.943 1.00 45.10 H new ATOM 0 HB3 ALA A 71 26.293 16.868 -3.422 1.00 45.10 H new ATOM 782 N THR A 72 29.463 14.406 -3.841 1.00 21.40 N ATOM 783 CA THR A 72 29.538 12.950 -3.864 1.00 51.43 C ATOM 784 C THR A 72 28.592 12.335 -2.840 1.00 33.31 C ATOM 785 O THR A 72 27.774 11.478 -3.172 1.00 71.20 O ATOM 786 CB THR A 72 30.970 12.457 -3.585 1.00 61.12 C ATOM 787 OG1 THR A 72 31.920 13.351 -4.175 1.00 41.30 O ATOM 788 CG2 THR A 72 31.176 11.054 -4.137 1.00 3.23 C ATOM 0 H THR A 72 30.366 14.873 -3.755 1.00 21.40 H new ATOM 0 HA THR A 72 29.242 12.634 -4.864 1.00 51.43 H new ATOM 0 HB THR A 72 31.118 12.432 -2.505 1.00 61.12 H new ATOM 0 HG1 THR A 72 32.828 13.031 -3.991 1.00 41.30 H new ATOM 0 HG21 THR A 72 32.195 10.727 -3.928 1.00 3.23 H new ATOM 0 HG22 THR A 72 30.471 10.370 -3.665 1.00 3.23 H new ATOM 0 HG23 THR A 72 31.010 11.059 -5.214 1.00 3.23 H new ATOM 796 N GLY A 73 28.708 12.778 -1.592 1.00 3.13 N ATOM 797 CA GLY A 73 27.856 12.260 -0.538 1.00 21.53 C ATOM 798 C GLY A 73 26.385 12.326 -0.896 1.00 72.03 C ATOM 799 O GLY A 73 25.590 11.503 -0.441 1.00 54.12 O ATOM 0 H GLY A 73 29.377 13.487 -1.292 1.00 3.13 H new ATOM 0 HA2 GLY A 73 28.130 11.226 -0.329 1.00 21.53 H new ATOM 0 HA3 GLY A 73 28.030 12.827 0.377 1.00 21.53 H new ATOM 803 N HIS A 74 26.020 13.309 -1.713 1.00 42.13 N ATOM 804 CA HIS A 74 24.633 13.481 -2.132 1.00 25.41 C ATOM 805 C HIS A 74 24.296 12.546 -3.290 1.00 10.21 C ATOM 806 O HIS A 74 23.254 11.891 -3.288 1.00 30.45 O ATOM 807 CB HIS A 74 24.378 14.931 -2.541 1.00 12.51 C ATOM 808 CG HIS A 74 24.580 15.912 -1.427 1.00 55.20 C ATOM 809 ND1 HIS A 74 24.505 17.278 -1.604 1.00 24.31 N ATOM 810 CD2 HIS A 74 24.852 15.718 -0.115 1.00 45.55 C ATOM 811 CE1 HIS A 74 24.726 17.882 -0.450 1.00 32.52 C ATOM 812 NE2 HIS A 74 24.939 16.958 0.470 1.00 73.31 N ATOM 0 H HIS A 74 26.665 13.999 -2.098 1.00 42.13 H new ATOM 0 HA HIS A 74 23.990 13.232 -1.288 1.00 25.41 H new ATOM 0 HB2 HIS A 74 25.042 15.189 -3.366 1.00 12.51 H new ATOM 0 HB3 HIS A 74 23.357 15.021 -2.913 1.00 12.51 H new ATOM 0 HD2 HIS A 74 24.977 14.766 0.379 1.00 45.55 H new ATOM 0 HE1 HIS A 74 24.732 18.950 -0.286 1.00 32.52 H new ATOM 0 HE2 HIS A 74 25.136 17.136 1.455 1.00 73.31 H new ATOM 820 N ARG A 75 25.183 12.491 -4.278 1.00 4.44 N ATOM 821 CA ARG A 75 24.978 11.639 -5.443 1.00 3.15 C ATOM 822 C ARG A 75 24.770 10.187 -5.024 1.00 31.34 C ATOM 823 O ARG A 75 23.819 9.535 -5.455 1.00 60.35 O ATOM 824 CB ARG A 75 26.173 11.741 -6.392 1.00 64.31 C ATOM 825 CG ARG A 75 25.781 11.975 -7.842 1.00 23.52 C ATOM 826 CD ARG A 75 27.003 12.048 -8.744 1.00 51.34 C ATOM 827 NE ARG A 75 27.985 13.014 -8.259 1.00 12.14 N ATOM 828 CZ ARG A 75 28.994 12.696 -7.455 1.00 74.41 C ATOM 829 NH1 ARG A 75 29.153 11.443 -7.050 1.00 13.32 N ATOM 830 NH2 ARG A 75 29.846 13.631 -7.056 1.00 21.21 N ATOM 0 H ARG A 75 26.051 13.027 -4.295 1.00 4.44 H new ATOM 0 HA ARG A 75 24.082 11.982 -5.960 1.00 3.15 H new ATOM 0 HB2 ARG A 75 26.819 12.555 -6.063 1.00 64.31 H new ATOM 0 HB3 ARG A 75 26.758 10.824 -6.326 1.00 64.31 H new ATOM 0 HG2 ARG A 75 25.127 11.170 -8.178 1.00 23.52 H new ATOM 0 HG3 ARG A 75 25.213 12.902 -7.922 1.00 23.52 H new ATOM 0 HD2 ARG A 75 27.465 11.063 -8.809 1.00 51.34 H new ATOM 0 HD3 ARG A 75 26.693 12.322 -9.753 1.00 51.34 H new ATOM 0 HE ARG A 75 27.891 13.986 -8.554 1.00 12.14 H new ATOM 0 HH11 ARG A 75 28.500 10.721 -7.356 1.00 13.32 H new ATOM 0 HH12 ARG A 75 29.928 11.201 -6.433 1.00 13.32 H new ATOM 0 HH21 ARG A 75 29.727 14.595 -7.366 1.00 21.21 H new ATOM 0 HH22 ARG A 75 30.620 13.386 -6.439 1.00 21.21 H new ATOM 844 N LYS A 76 25.666 9.685 -4.180 1.00 13.41 N ATOM 845 CA LYS A 76 25.581 8.311 -3.701 1.00 60.21 C ATOM 846 C LYS A 76 24.342 8.112 -2.833 1.00 43.24 C ATOM 847 O LYS A 76 23.917 6.982 -2.592 1.00 0.54 O ATOM 848 CB LYS A 76 26.837 7.948 -2.906 1.00 62.30 C ATOM 849 CG LYS A 76 28.127 8.144 -3.684 1.00 1.14 C ATOM 850 CD LYS A 76 29.339 8.130 -2.767 1.00 14.04 C ATOM 851 CE LYS A 76 29.464 6.806 -2.029 1.00 61.20 C ATOM 852 NZ LYS A 76 30.747 6.116 -2.341 1.00 53.40 N ATOM 0 H LYS A 76 26.460 10.210 -3.814 1.00 13.41 H new ATOM 0 HA LYS A 76 25.504 7.655 -4.568 1.00 60.21 H new ATOM 0 HB2 LYS A 76 26.872 8.555 -2.001 1.00 62.30 H new ATOM 0 HB3 LYS A 76 26.768 6.907 -2.589 1.00 62.30 H new ATOM 0 HG2 LYS A 76 28.226 7.356 -4.431 1.00 1.14 H new ATOM 0 HG3 LYS A 76 28.088 9.091 -4.222 1.00 1.14 H new ATOM 0 HD2 LYS A 76 30.241 8.308 -3.352 1.00 14.04 H new ATOM 0 HD3 LYS A 76 29.261 8.944 -2.046 1.00 14.04 H new ATOM 0 HE2 LYS A 76 29.398 6.981 -0.955 1.00 61.20 H new ATOM 0 HE3 LYS A 76 28.629 6.160 -2.299 1.00 61.20 H new ATOM 0 HZ1 LYS A 76 30.794 5.218 -1.819 1.00 53.40 H new ATOM 0 HZ2 LYS A 76 30.800 5.926 -3.362 1.00 53.40 H new ATOM 0 HZ3 LYS A 76 31.544 6.722 -2.060 1.00 53.40 H new ATOM 866 N ARG A 77 23.767 9.217 -2.369 1.00 64.20 N ATOM 867 CA ARG A 77 22.577 9.163 -1.529 1.00 3.34 C ATOM 868 C ARG A 77 21.332 8.891 -2.367 1.00 33.12 C ATOM 869 O ARG A 77 20.351 8.332 -1.875 1.00 52.00 O ATOM 870 CB ARG A 77 22.411 10.475 -0.760 1.00 13.15 C ATOM 871 CG ARG A 77 21.847 10.293 0.640 1.00 11.12 C ATOM 872 CD ARG A 77 22.489 11.254 1.629 1.00 62.32 C ATOM 873 NE ARG A 77 23.755 10.742 2.146 1.00 65.45 N ATOM 874 CZ ARG A 77 24.377 11.250 3.204 1.00 34.21 C ATOM 875 NH1 ARG A 77 23.851 12.278 3.855 1.00 53.20 N ATOM 876 NH2 ARG A 77 25.526 10.729 3.614 1.00 61.22 N ATOM 0 H ARG A 77 24.106 10.160 -2.561 1.00 64.20 H new ATOM 0 HA ARG A 77 22.701 8.346 -0.818 1.00 3.34 H new ATOM 0 HB2 ARG A 77 23.379 10.971 -0.691 1.00 13.15 H new ATOM 0 HB3 ARG A 77 21.754 11.136 -1.324 1.00 13.15 H new ATOM 0 HG2 ARG A 77 20.769 10.453 0.623 1.00 11.12 H new ATOM 0 HG3 ARG A 77 22.011 9.267 0.969 1.00 11.12 H new ATOM 0 HD2 ARG A 77 22.658 12.215 1.143 1.00 62.32 H new ATOM 0 HD3 ARG A 77 21.804 11.432 2.458 1.00 62.32 H new ATOM 0 HE ARG A 77 24.186 9.950 1.668 1.00 65.45 H new ATOM 0 HH11 ARG A 77 22.967 12.680 3.544 1.00 53.20 H new ATOM 0 HH12 ARG A 77 24.330 12.667 4.667 1.00 53.20 H new ATOM 0 HH21 ARG A 77 25.933 9.937 3.117 1.00 61.22 H new ATOM 0 HH22 ARG A 77 26.002 11.120 4.427 1.00 61.22 H new ATOM 890 N ILE A 78 21.378 9.290 -3.633 1.00 63.24 N ATOM 891 CA ILE A 78 20.254 9.088 -4.539 1.00 43.12 C ATOM 892 C ILE A 78 20.277 7.687 -5.141 1.00 24.05 C ATOM 893 O ILE A 78 19.309 6.934 -5.027 1.00 11.43 O ATOM 894 CB ILE A 78 20.257 10.124 -5.679 1.00 31.20 C ATOM 895 CG1 ILE A 78 20.090 11.536 -5.114 1.00 41.14 C ATOM 896 CG2 ILE A 78 19.153 9.814 -6.679 1.00 62.41 C ATOM 897 CD1 ILE A 78 21.293 12.424 -5.343 1.00 3.04 C ATOM 0 H ILE A 78 22.182 9.755 -4.055 1.00 63.24 H new ATOM 0 HA ILE A 78 19.347 9.212 -3.948 1.00 43.12 H new ATOM 0 HB ILE A 78 21.215 10.071 -6.197 1.00 31.20 H new ATOM 0 HG12 ILE A 78 19.214 11.999 -5.569 1.00 41.14 H new ATOM 0 HG13 ILE A 78 19.896 11.470 -4.043 1.00 41.14 H new ATOM 0 HG21 ILE A 78 19.168 10.555 -7.479 1.00 62.41 H new ATOM 0 HG22 ILE A 78 19.312 8.822 -7.101 1.00 62.41 H new ATOM 0 HG23 ILE A 78 18.187 9.843 -6.175 1.00 62.41 H new ATOM 0 HD11 ILE A 78 21.104 13.409 -4.917 1.00 3.04 H new ATOM 0 HD12 ILE A 78 22.167 11.983 -4.864 1.00 3.04 H new ATOM 0 HD13 ILE A 78 21.475 12.521 -6.413 1.00 3.04 H new ATOM 909 N LEU A 79 21.390 7.342 -5.779 1.00 72.24 N ATOM 910 CA LEU A 79 21.541 6.029 -6.398 1.00 0.22 C ATOM 911 C LEU A 79 21.286 4.917 -5.385 1.00 43.50 C ATOM 912 O LEU A 79 20.744 3.866 -5.726 1.00 1.01 O ATOM 913 CB LEU A 79 22.943 5.882 -6.992 1.00 11.01 C ATOM 914 CG LEU A 79 23.203 6.639 -8.295 1.00 13.44 C ATOM 915 CD1 LEU A 79 24.656 7.079 -8.376 1.00 25.41 C ATOM 916 CD2 LEU A 79 22.836 5.778 -9.494 1.00 51.35 C ATOM 0 H LEU A 79 22.201 7.952 -5.881 1.00 72.24 H new ATOM 0 HA LEU A 79 20.804 5.944 -7.197 1.00 0.22 H new ATOM 0 HB2 LEU A 79 23.667 6.217 -6.250 1.00 11.01 H new ATOM 0 HB3 LEU A 79 23.133 4.823 -7.167 1.00 11.01 H new ATOM 0 HG LEU A 79 22.575 7.530 -8.307 1.00 13.44 H new ATOM 0 HD11 LEU A 79 24.822 7.616 -9.310 1.00 25.41 H new ATOM 0 HD12 LEU A 79 24.885 7.734 -7.535 1.00 25.41 H new ATOM 0 HD13 LEU A 79 25.304 6.203 -8.341 1.00 25.41 H new ATOM 0 HD21 LEU A 79 23.027 6.333 -10.413 1.00 51.35 H new ATOM 0 HD22 LEU A 79 23.438 4.869 -9.487 1.00 51.35 H new ATOM 0 HD23 LEU A 79 21.780 5.514 -9.443 1.00 51.35 H new ATOM 928 N ARG A 80 21.679 5.158 -4.138 1.00 41.35 N ATOM 929 CA ARG A 80 21.492 4.178 -3.076 1.00 23.13 C ATOM 930 C ARG A 80 20.010 3.894 -2.853 1.00 32.43 C ATOM 931 O ARG A 80 19.641 2.846 -2.320 1.00 52.00 O ATOM 932 CB ARG A 80 22.128 4.675 -1.776 1.00 43.33 C ATOM 933 CG ARG A 80 21.971 3.710 -0.613 1.00 23.11 C ATOM 934 CD ARG A 80 22.817 4.131 0.579 1.00 40.34 C ATOM 935 NE ARG A 80 22.301 5.340 1.216 1.00 44.14 N ATOM 936 CZ ARG A 80 21.230 5.357 2.001 1.00 3.21 C ATOM 937 NH1 ARG A 80 20.565 4.236 2.245 1.00 3.53 N ATOM 938 NH2 ARG A 80 20.823 6.497 2.545 1.00 53.15 N ATOM 0 H ARG A 80 22.129 6.023 -3.839 1.00 41.35 H new ATOM 0 HA ARG A 80 21.980 3.252 -3.381 1.00 23.13 H new ATOM 0 HB2 ARG A 80 23.189 4.855 -1.947 1.00 43.33 H new ATOM 0 HB3 ARG A 80 21.682 5.632 -1.506 1.00 43.33 H new ATOM 0 HG2 ARG A 80 20.923 3.662 -0.318 1.00 23.11 H new ATOM 0 HG3 ARG A 80 22.259 2.708 -0.929 1.00 23.11 H new ATOM 0 HD2 ARG A 80 22.845 3.321 1.308 1.00 40.34 H new ATOM 0 HD3 ARG A 80 23.843 4.302 0.253 1.00 40.34 H new ATOM 0 HE ARG A 80 22.790 6.219 1.049 1.00 44.14 H new ATOM 0 HH11 ARG A 80 20.876 3.358 1.829 1.00 3.53 H new ATOM 0 HH12 ARG A 80 19.743 4.252 2.848 1.00 3.53 H new ATOM 0 HH21 ARG A 80 21.333 7.361 2.360 1.00 53.15 H new ATOM 0 HH22 ARG A 80 20.000 6.509 3.148 1.00 53.15 H new ATOM 952 N LEU A 81 19.165 4.833 -3.263 1.00 35.32 N ATOM 953 CA LEU A 81 17.722 4.684 -3.108 1.00 34.13 C ATOM 954 C LEU A 81 17.097 4.092 -4.367 1.00 32.42 C ATOM 955 O LEU A 81 16.096 3.376 -4.299 1.00 4.11 O ATOM 956 CB LEU A 81 17.080 6.037 -2.794 1.00 64.14 C ATOM 957 CG LEU A 81 15.601 6.005 -2.409 1.00 51.43 C ATOM 958 CD1 LEU A 81 15.444 5.895 -0.901 1.00 3.14 C ATOM 959 CD2 LEU A 81 14.887 7.243 -2.932 1.00 42.44 C ATOM 0 H LEU A 81 19.454 5.706 -3.705 1.00 35.32 H new ATOM 0 HA LEU A 81 17.540 4.001 -2.278 1.00 34.13 H new ATOM 0 HB2 LEU A 81 17.637 6.500 -1.980 1.00 64.14 H new ATOM 0 HB3 LEU A 81 17.194 6.682 -3.665 1.00 64.14 H new ATOM 0 HG LEU A 81 15.146 5.127 -2.866 1.00 51.43 H new ATOM 0 HD11 LEU A 81 14.384 5.874 -0.646 1.00 3.14 H new ATOM 0 HD12 LEU A 81 15.920 4.979 -0.552 1.00 3.14 H new ATOM 0 HD13 LEU A 81 15.915 6.754 -0.423 1.00 3.14 H new ATOM 0 HD21 LEU A 81 13.835 7.203 -2.649 1.00 42.44 H new ATOM 0 HD22 LEU A 81 15.345 8.135 -2.504 1.00 42.44 H new ATOM 0 HD23 LEU A 81 14.969 7.279 -4.018 1.00 42.44 H new ATOM 971 N LEU A 82 17.694 4.392 -5.515 1.00 12.32 N ATOM 972 CA LEU A 82 17.197 3.888 -6.790 1.00 64.34 C ATOM 973 C LEU A 82 17.345 2.372 -6.871 1.00 21.30 C ATOM 974 O LEU A 82 16.543 1.694 -7.513 1.00 13.34 O ATOM 975 CB LEU A 82 17.948 4.547 -7.949 1.00 31.01 C ATOM 976 CG LEU A 82 17.100 4.946 -9.157 1.00 41.32 C ATOM 977 CD1 LEU A 82 17.901 5.826 -10.104 1.00 43.30 C ATOM 978 CD2 LEU A 82 16.587 3.710 -9.881 1.00 22.31 C ATOM 0 H LEU A 82 18.523 4.982 -5.589 1.00 12.32 H new ATOM 0 HA LEU A 82 16.138 4.136 -6.863 1.00 64.34 H new ATOM 0 HB2 LEU A 82 18.449 5.439 -7.571 1.00 31.01 H new ATOM 0 HB3 LEU A 82 18.727 3.863 -8.287 1.00 31.01 H new ATOM 0 HG LEU A 82 16.242 5.516 -8.801 1.00 41.32 H new ATOM 0 HD11 LEU A 82 17.281 6.100 -10.958 1.00 43.30 H new ATOM 0 HD12 LEU A 82 18.218 6.728 -9.581 1.00 43.30 H new ATOM 0 HD13 LEU A 82 18.778 5.281 -10.453 1.00 43.30 H new ATOM 0 HD21 LEU A 82 15.986 4.014 -10.738 1.00 22.31 H new ATOM 0 HD22 LEU A 82 17.432 3.112 -10.224 1.00 22.31 H new ATOM 0 HD23 LEU A 82 15.976 3.117 -9.201 1.00 22.31 H new ATOM 990 N GLN A 83 18.374 1.847 -6.214 1.00 64.11 N ATOM 991 CA GLN A 83 18.626 0.411 -6.211 1.00 35.44 C ATOM 992 C GLN A 83 17.431 -0.350 -5.644 1.00 51.40 C ATOM 993 O GLN A 83 17.280 -1.550 -5.872 1.00 71.41 O ATOM 994 CB GLN A 83 19.880 0.093 -5.396 1.00 24.24 C ATOM 995 CG GLN A 83 21.112 -0.161 -6.249 1.00 62.15 C ATOM 996 CD GLN A 83 22.327 -0.535 -5.424 1.00 65.30 C ATOM 997 OE1 GLN A 83 22.873 0.290 -4.691 1.00 52.53 O ATOM 998 NE2 GLN A 83 22.759 -1.786 -5.538 1.00 52.03 N ATOM 0 H GLN A 83 19.047 2.394 -5.677 1.00 64.11 H new ATOM 0 HA GLN A 83 18.781 0.093 -7.242 1.00 35.44 H new ATOM 0 HB2 GLN A 83 20.082 0.922 -4.718 1.00 24.24 H new ATOM 0 HB3 GLN A 83 19.689 -0.784 -4.778 1.00 24.24 H new ATOM 0 HG2 GLN A 83 20.899 -0.961 -6.958 1.00 62.15 H new ATOM 0 HG3 GLN A 83 21.335 0.732 -6.833 1.00 62.15 H new ATOM 0 HE21 GLN A 83 22.277 -2.438 -6.157 1.00 52.03 H new ATOM 0 HE22 GLN A 83 23.573 -2.095 -5.006 1.00 52.03 H new