USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 721 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 53 SER OG : rot 114:sc= -0.357 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -135:sc= 0 (180deg=-0.0753) USER MOD Single : A 5 SER OG : rot 160:sc= -0.0452 USER MOD Single : A 6 THR OG1 : rot -158:sc= 1.22 USER MOD Single : A 25 THR OG1 : rot -73:sc= 0.00999 USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= -0.108 (180deg=-0.627) USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= 2.12 (180deg=0.837) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -174:sc= -0.036 (180deg=-0.169) USER MOD Single : A 66 GLN :FLIP amide:sc=-0.00537 F(o=-0.61,f=-0.0054) USER MOD Single : A 70 SER OG : rot 180:sc=-0.00411 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.923 -15.864 13.515 1.00 55.11 N ATOM 2 CA GLY A 1 -13.053 -16.632 12.276 1.00 42.22 C ATOM 3 C GLY A 1 -13.805 -15.791 11.268 1.00 22.20 C ATOM 4 O GLY A 1 -14.997 -15.548 11.441 1.00 53.34 O ATOM 0 H1 GLY A 1 -12.408 -16.428 14.221 1.00 55.11 H new ATOM 0 H2 GLY A 1 -12.400 -14.985 13.325 1.00 55.11 H new ATOM 0 H3 GLY A 1 -13.869 -15.632 13.881 1.00 55.11 H new ATOM 0 HA2 GLY A 1 -12.069 -16.897 11.889 1.00 42.22 H new ATOM 0 HA3 GLY A 1 -13.584 -17.565 12.463 1.00 42.22 H new ATOM 8 N MET A 2 -13.120 -15.299 10.234 1.00 3.51 N ATOM 9 CA MET A 2 -13.692 -14.451 9.191 1.00 72.14 C ATOM 10 C MET A 2 -13.072 -14.839 7.855 1.00 42.53 C ATOM 11 O MET A 2 -12.008 -15.469 7.830 1.00 40.34 O ATOM 12 CB MET A 2 -13.403 -12.965 9.460 1.00 52.33 C ATOM 13 CG MET A 2 -13.894 -12.470 10.822 1.00 41.21 C ATOM 14 SD MET A 2 -13.939 -10.667 10.975 1.00 20.41 S ATOM 15 CE MET A 2 -15.465 -10.353 10.052 1.00 40.25 C ATOM 0 H MET A 2 -12.127 -15.485 10.097 1.00 3.51 H new ATOM 0 HA MET A 2 -14.772 -14.595 9.178 1.00 72.14 H new ATOM 0 HB2 MET A 2 -12.328 -12.796 9.390 1.00 52.33 H new ATOM 0 HB3 MET A 2 -13.871 -12.367 8.678 1.00 52.33 H new ATOM 0 HG2 MET A 2 -14.894 -12.865 11.002 1.00 41.21 H new ATOM 0 HG3 MET A 2 -13.246 -12.875 11.600 1.00 41.21 H new ATOM 0 HE1 MET A 2 -15.313 -9.515 9.371 1.00 40.25 H new ATOM 0 HE2 MET A 2 -15.734 -11.241 9.480 1.00 40.25 H new ATOM 0 HE3 MET A 2 -16.269 -10.113 10.748 1.00 40.25 H new ATOM 23 N LEU A 3 -13.690 -14.398 6.761 1.00 71.32 N ATOM 24 CA LEU A 3 -13.267 -14.679 5.395 1.00 74.03 C ATOM 25 C LEU A 3 -13.363 -13.380 4.591 1.00 64.34 C ATOM 26 O LEU A 3 -14.078 -13.261 3.598 1.00 11.24 O ATOM 27 CB LEU A 3 -14.107 -15.847 4.847 1.00 41.55 C ATOM 28 CG LEU A 3 -13.444 -16.708 3.756 1.00 42.22 C ATOM 29 CD1 LEU A 3 -13.409 -16.057 2.376 1.00 41.45 C ATOM 30 CD2 LEU A 3 -12.035 -17.164 4.164 1.00 52.41 C ATOM 0 H LEU A 3 -14.527 -13.816 6.805 1.00 71.32 H new ATOM 0 HA LEU A 3 -12.229 -15.006 5.330 1.00 74.03 H new ATOM 0 HB2 LEU A 3 -14.375 -16.497 5.680 1.00 41.55 H new ATOM 0 HB3 LEU A 3 -15.036 -15.442 4.446 1.00 41.55 H new ATOM 0 HG LEU A 3 -14.090 -17.581 3.667 1.00 42.22 H new ATOM 0 HD11 LEU A 3 -12.926 -16.730 1.668 1.00 41.45 H new ATOM 0 HD12 LEU A 3 -14.427 -15.852 2.045 1.00 41.45 H new ATOM 0 HD13 LEU A 3 -12.849 -15.123 2.428 1.00 41.45 H new ATOM 0 HD21 LEU A 3 -11.603 -17.769 3.367 1.00 52.41 H new ATOM 0 HD22 LEU A 3 -11.406 -16.291 4.339 1.00 52.41 H new ATOM 0 HD23 LEU A 3 -12.094 -17.757 5.077 1.00 52.41 H new ATOM 41 N LEU A 4 -12.663 -12.362 5.099 1.00 24.42 N ATOM 42 CA LEU A 4 -12.390 -11.131 4.365 1.00 24.21 C ATOM 43 C LEU A 4 -11.514 -11.508 3.169 1.00 51.52 C ATOM 44 O LEU A 4 -10.847 -12.547 3.194 1.00 13.33 O ATOM 45 CB LEU A 4 -11.665 -10.121 5.273 1.00 72.31 C ATOM 46 CG LEU A 4 -12.569 -9.565 6.394 1.00 1.41 C ATOM 47 CD1 LEU A 4 -11.814 -9.414 7.718 1.00 62.22 C ATOM 48 CD2 LEU A 4 -13.175 -8.219 5.995 1.00 11.44 C ATOM 0 H LEU A 4 -12.268 -12.373 6.039 1.00 24.42 H new ATOM 0 HA LEU A 4 -13.315 -10.662 4.029 1.00 24.21 H new ATOM 0 HB2 LEU A 4 -10.794 -10.601 5.720 1.00 72.31 H new ATOM 0 HB3 LEU A 4 -11.296 -9.294 4.666 1.00 72.31 H new ATOM 0 HG LEU A 4 -13.369 -10.291 6.538 1.00 1.41 H new ATOM 0 HD11 LEU A 4 -12.488 -9.020 8.478 1.00 62.22 H new ATOM 0 HD12 LEU A 4 -11.438 -10.387 8.035 1.00 62.22 H new ATOM 0 HD13 LEU A 4 -10.978 -8.728 7.584 1.00 62.22 H new ATOM 0 HD21 LEU A 4 -13.807 -7.851 6.803 1.00 11.44 H new ATOM 0 HD22 LEU A 4 -12.376 -7.503 5.804 1.00 11.44 H new ATOM 0 HD23 LEU A 4 -13.774 -8.343 5.093 1.00 11.44 H new ATOM 59 N SER A 5 -11.485 -10.667 2.142 1.00 55.42 N ATOM 60 CA SER A 5 -10.662 -10.899 0.970 1.00 20.02 C ATOM 61 C SER A 5 -10.007 -9.595 0.535 1.00 35.30 C ATOM 62 O SER A 5 -10.345 -8.520 1.038 1.00 40.31 O ATOM 63 CB SER A 5 -11.526 -11.542 -0.119 1.00 0.32 C ATOM 64 OG SER A 5 -11.904 -12.853 0.284 1.00 12.21 O ATOM 0 H SER A 5 -12.032 -9.807 2.102 1.00 55.42 H new ATOM 0 HA SER A 5 -9.849 -11.591 1.189 1.00 20.02 H new ATOM 0 HB2 SER A 5 -12.414 -10.936 -0.298 1.00 0.32 H new ATOM 0 HB3 SER A 5 -10.974 -11.584 -1.058 1.00 0.32 H new ATOM 0 HG SER A 5 -12.689 -13.139 -0.228 1.00 12.21 H new ATOM 69 N THR A 6 -9.059 -9.695 -0.391 1.00 31.20 N ATOM 70 CA THR A 6 -8.234 -8.586 -0.830 1.00 61.23 C ATOM 71 C THR A 6 -9.098 -7.438 -1.365 1.00 61.32 C ATOM 72 O THR A 6 -8.878 -6.284 -0.994 1.00 34.00 O ATOM 73 CB THR A 6 -7.161 -9.095 -1.810 1.00 1.33 C ATOM 74 OG1 THR A 6 -6.463 -10.195 -1.252 1.00 34.22 O ATOM 75 CG2 THR A 6 -6.167 -7.975 -2.092 1.00 33.01 C ATOM 0 H THR A 6 -8.842 -10.572 -0.865 1.00 31.20 H new ATOM 0 HA THR A 6 -7.695 -8.157 0.015 1.00 61.23 H new ATOM 0 HB THR A 6 -7.650 -9.411 -2.732 1.00 1.33 H new ATOM 0 HG1 THR A 6 -5.594 -10.290 -1.695 1.00 34.22 H new ATOM 0 HG21 THR A 6 -5.405 -8.331 -2.786 1.00 33.01 H new ATOM 0 HG22 THR A 6 -6.690 -7.126 -2.532 1.00 33.01 H new ATOM 0 HG23 THR A 6 -5.693 -7.666 -1.160 1.00 33.01 H new ATOM 83 N ASP A 7 -10.103 -7.740 -2.191 1.00 64.24 N ATOM 84 CA ASP A 7 -11.010 -6.733 -2.727 1.00 54.44 C ATOM 85 C ASP A 7 -11.742 -6.000 -1.596 1.00 51.51 C ATOM 86 O ASP A 7 -11.853 -4.769 -1.628 1.00 4.31 O ATOM 87 CB ASP A 7 -11.980 -7.319 -3.764 1.00 12.44 C ATOM 88 CG ASP A 7 -13.115 -8.175 -3.194 1.00 72.15 C ATOM 89 OD1 ASP A 7 -12.901 -8.921 -2.210 1.00 44.32 O ATOM 90 OD2 ASP A 7 -14.232 -8.117 -3.762 1.00 3.42 O ATOM 0 H ASP A 7 -10.307 -8.689 -2.504 1.00 64.24 H new ATOM 0 HA ASP A 7 -10.408 -5.997 -3.260 1.00 54.44 H new ATOM 0 HB2 ASP A 7 -12.417 -6.498 -4.332 1.00 12.44 H new ATOM 0 HB3 ASP A 7 -11.410 -7.925 -4.468 1.00 12.44 H new ATOM 94 N ILE A 8 -12.175 -6.725 -0.562 1.00 33.30 N ATOM 95 CA ILE A 8 -12.887 -6.170 0.578 1.00 3.23 C ATOM 96 C ILE A 8 -12.046 -5.104 1.276 1.00 21.12 C ATOM 97 O ILE A 8 -12.535 -3.996 1.511 1.00 1.23 O ATOM 98 CB ILE A 8 -13.313 -7.249 1.586 1.00 71.11 C ATOM 99 CG1 ILE A 8 -14.090 -8.423 0.969 1.00 22.21 C ATOM 100 CG2 ILE A 8 -14.137 -6.566 2.684 1.00 60.25 C ATOM 101 CD1 ILE A 8 -15.327 -8.053 0.152 1.00 14.31 C ATOM 0 H ILE A 8 -12.035 -7.733 -0.498 1.00 33.30 H new ATOM 0 HA ILE A 8 -13.795 -5.711 0.186 1.00 3.23 H new ATOM 0 HB ILE A 8 -12.408 -7.703 1.989 1.00 71.11 H new ATOM 0 HG12 ILE A 8 -13.411 -8.985 0.328 1.00 22.21 H new ATOM 0 HG13 ILE A 8 -14.397 -9.092 1.773 1.00 22.21 H new ATOM 0 HG21 ILE A 8 -14.454 -7.309 3.416 1.00 60.25 H new ATOM 0 HG22 ILE A 8 -13.529 -5.808 3.177 1.00 60.25 H new ATOM 0 HG23 ILE A 8 -15.015 -6.095 2.241 1.00 60.25 H new ATOM 0 HD11 ILE A 8 -15.793 -8.960 -0.233 1.00 14.31 H new ATOM 0 HD12 ILE A 8 -16.036 -7.522 0.786 1.00 14.31 H new ATOM 0 HD13 ILE A 8 -15.035 -7.413 -0.681 1.00 14.31 H new ATOM 112 N TRP A 9 -10.823 -5.442 1.695 1.00 72.24 N ATOM 113 CA TRP A 9 -10.058 -4.513 2.514 1.00 32.41 C ATOM 114 C TRP A 9 -9.702 -3.268 1.715 1.00 35.30 C ATOM 115 O TRP A 9 -9.771 -2.166 2.266 1.00 23.32 O ATOM 116 CB TRP A 9 -8.780 -5.141 3.051 1.00 21.30 C ATOM 117 CG TRP A 9 -8.902 -6.343 3.926 1.00 53.42 C ATOM 118 CD1 TRP A 9 -9.531 -6.416 5.119 1.00 2.12 C ATOM 119 CD2 TRP A 9 -8.278 -7.637 3.726 1.00 72.01 C ATOM 120 NE1 TRP A 9 -9.271 -7.644 5.694 1.00 34.24 N ATOM 121 CE2 TRP A 9 -8.543 -8.459 4.855 1.00 35.34 C ATOM 122 CE3 TRP A 9 -7.488 -8.179 2.699 1.00 15.23 C ATOM 123 CZ2 TRP A 9 -8.062 -9.773 4.947 1.00 60.34 C ATOM 124 CZ3 TRP A 9 -7.033 -9.507 2.755 1.00 51.52 C ATOM 125 CH2 TRP A 9 -7.318 -10.303 3.880 1.00 53.43 C ATOM 0 H TRP A 9 -10.357 -6.325 1.486 1.00 72.24 H new ATOM 0 HA TRP A 9 -10.690 -4.245 3.361 1.00 32.41 H new ATOM 0 HB2 TRP A 9 -8.157 -5.411 2.198 1.00 21.30 H new ATOM 0 HB3 TRP A 9 -8.241 -4.375 3.609 1.00 21.30 H new ATOM 0 HD1 TRP A 9 -10.140 -5.638 5.554 1.00 2.12 H new ATOM 0 HE1 TRP A 9 -9.581 -7.915 6.627 1.00 34.24 H new ATOM 0 HE3 TRP A 9 -7.226 -7.564 1.851 1.00 15.23 H new ATOM 0 HZ2 TRP A 9 -8.261 -10.369 5.826 1.00 60.34 H new ATOM 0 HZ3 TRP A 9 -6.464 -9.917 1.934 1.00 51.52 H new ATOM 0 HH2 TRP A 9 -6.964 -11.323 3.923 1.00 53.43 H new ATOM 135 N VAL A 10 -9.319 -3.417 0.440 1.00 21.42 N ATOM 136 CA VAL A 10 -9.020 -2.285 -0.437 1.00 63.33 C ATOM 137 C VAL A 10 -10.219 -1.330 -0.422 1.00 3.43 C ATOM 138 O VAL A 10 -10.035 -0.127 -0.237 1.00 1.41 O ATOM 139 CB VAL A 10 -8.658 -2.796 -1.850 1.00 32.14 C ATOM 140 CG1 VAL A 10 -8.575 -1.665 -2.890 1.00 72.24 C ATOM 141 CG2 VAL A 10 -7.316 -3.542 -1.859 1.00 12.24 C ATOM 0 H VAL A 10 -9.209 -4.326 -0.009 1.00 21.42 H new ATOM 0 HA VAL A 10 -8.151 -1.729 -0.085 1.00 63.33 H new ATOM 0 HB VAL A 10 -9.468 -3.473 -2.121 1.00 32.14 H new ATOM 0 HG11 VAL A 10 -8.318 -2.084 -3.863 1.00 72.24 H new ATOM 0 HG12 VAL A 10 -9.539 -1.160 -2.956 1.00 72.24 H new ATOM 0 HG13 VAL A 10 -7.810 -0.949 -2.589 1.00 72.24 H new ATOM 0 HG21 VAL A 10 -7.097 -3.885 -2.870 1.00 12.24 H new ATOM 0 HG22 VAL A 10 -6.525 -2.871 -1.524 1.00 12.24 H new ATOM 0 HG23 VAL A 10 -7.372 -4.400 -1.189 1.00 12.24 H new ATOM 151 N ALA A 11 -11.439 -1.871 -0.534 1.00 24.44 N ATOM 152 CA ALA A 11 -12.664 -1.093 -0.582 1.00 12.40 C ATOM 153 C ALA A 11 -12.824 -0.186 0.647 1.00 54.31 C ATOM 154 O ALA A 11 -13.122 1.000 0.510 1.00 55.51 O ATOM 155 CB ALA A 11 -13.862 -2.042 -0.755 1.00 22.33 C ATOM 0 H ALA A 11 -11.595 -2.877 -0.594 1.00 24.44 H new ATOM 0 HA ALA A 11 -12.617 -0.423 -1.441 1.00 12.40 H new ATOM 0 HB1 ALA A 11 -14.784 -1.461 -0.791 1.00 22.33 H new ATOM 0 HB2 ALA A 11 -13.750 -2.604 -1.682 1.00 22.33 H new ATOM 0 HB3 ALA A 11 -13.902 -2.734 0.086 1.00 22.33 H new ATOM 161 N ALA A 12 -12.648 -0.722 1.860 1.00 33.14 N ATOM 162 CA ALA A 12 -12.786 0.072 3.080 1.00 0.50 C ATOM 163 C ALA A 12 -11.635 1.065 3.234 1.00 23.12 C ATOM 164 O ALA A 12 -11.844 2.213 3.626 1.00 44.11 O ATOM 165 CB ALA A 12 -12.853 -0.845 4.305 1.00 35.30 C ATOM 0 H ALA A 12 -12.410 -1.701 2.020 1.00 33.14 H new ATOM 0 HA ALA A 12 -13.714 0.639 3.004 1.00 0.50 H new ATOM 0 HB1 ALA A 12 -12.956 -0.241 5.206 1.00 35.30 H new ATOM 0 HB2 ALA A 12 -13.711 -1.511 4.215 1.00 35.30 H new ATOM 0 HB3 ALA A 12 -11.940 -1.437 4.367 1.00 35.30 H new ATOM 171 N LEU A 13 -10.408 0.612 2.983 1.00 53.13 N ATOM 172 CA LEU A 13 -9.190 1.397 3.115 1.00 64.43 C ATOM 173 C LEU A 13 -9.222 2.646 2.235 1.00 32.14 C ATOM 174 O LEU A 13 -8.904 3.732 2.722 1.00 44.23 O ATOM 175 CB LEU A 13 -7.985 0.488 2.829 1.00 23.42 C ATOM 176 CG LEU A 13 -6.671 1.270 2.678 1.00 75.23 C ATOM 177 CD1 LEU A 13 -6.203 1.794 4.046 1.00 15.32 C ATOM 178 CD2 LEU A 13 -5.567 0.390 2.095 1.00 55.45 C ATOM 0 H LEU A 13 -10.233 -0.344 2.672 1.00 53.13 H new ATOM 0 HA LEU A 13 -9.102 1.772 4.135 1.00 64.43 H new ATOM 0 HB2 LEU A 13 -7.881 -0.235 3.638 1.00 23.42 H new ATOM 0 HB3 LEU A 13 -8.172 -0.079 1.917 1.00 23.42 H new ATOM 0 HG LEU A 13 -6.863 2.102 2.000 1.00 75.23 H new ATOM 0 HD11 LEU A 13 -5.271 2.346 3.925 1.00 15.32 H new ATOM 0 HD12 LEU A 13 -6.964 2.454 4.463 1.00 15.32 H new ATOM 0 HD13 LEU A 13 -6.042 0.954 4.722 1.00 15.32 H new ATOM 0 HD21 LEU A 13 -4.650 0.972 2.000 1.00 55.45 H new ATOM 0 HD22 LEU A 13 -5.392 -0.459 2.756 1.00 55.45 H new ATOM 0 HD23 LEU A 13 -5.871 0.029 1.112 1.00 55.45 H new ATOM 189 N ILE A 14 -9.597 2.521 0.962 1.00 13.22 N ATOM 190 CA ILE A 14 -9.752 3.675 0.079 1.00 34.14 C ATOM 191 C ILE A 14 -10.686 4.707 0.694 1.00 43.33 C ATOM 192 O ILE A 14 -10.309 5.874 0.824 1.00 64.32 O ATOM 193 CB ILE A 14 -10.169 3.196 -1.329 1.00 20.23 C ATOM 194 CG1 ILE A 14 -8.956 2.604 -2.070 1.00 33.04 C ATOM 195 CG2 ILE A 14 -10.869 4.258 -2.190 1.00 32.00 C ATOM 196 CD1 ILE A 14 -7.868 3.641 -2.376 1.00 64.01 C ATOM 0 H ILE A 14 -9.800 1.626 0.518 1.00 13.22 H new ATOM 0 HA ILE A 14 -8.799 4.191 -0.040 1.00 34.14 H new ATOM 0 HB ILE A 14 -10.922 2.425 -1.166 1.00 20.23 H new ATOM 0 HG12 ILE A 14 -8.526 1.803 -1.468 1.00 33.04 H new ATOM 0 HG13 ILE A 14 -9.293 2.155 -3.004 1.00 33.04 H new ATOM 0 HG21 ILE A 14 -11.124 3.830 -3.160 1.00 32.00 H new ATOM 0 HG22 ILE A 14 -11.779 4.590 -1.690 1.00 32.00 H new ATOM 0 HG23 ILE A 14 -10.202 5.108 -2.333 1.00 32.00 H new ATOM 0 HD11 ILE A 14 -7.042 3.158 -2.899 1.00 64.01 H new ATOM 0 HD12 ILE A 14 -8.283 4.430 -3.003 1.00 64.01 H new ATOM 0 HD13 ILE A 14 -7.504 4.073 -1.444 1.00 64.01 H new ATOM 207 N ARG A 15 -11.853 4.258 1.165 1.00 75.33 N ATOM 208 CA ARG A 15 -12.808 5.174 1.796 1.00 33.04 C ATOM 209 C ARG A 15 -12.147 5.886 2.970 1.00 3.41 C ATOM 210 O ARG A 15 -12.284 7.095 3.100 1.00 12.21 O ATOM 211 CB ARG A 15 -14.117 4.497 2.238 1.00 40.11 C ATOM 212 CG ARG A 15 -15.001 4.025 1.075 1.00 1.43 C ATOM 213 CD ARG A 15 -16.445 3.816 1.554 1.00 63.43 C ATOM 214 NE ARG A 15 -17.278 3.201 0.513 1.00 44.25 N ATOM 215 CZ ARG A 15 -18.588 2.955 0.587 1.00 20.23 C ATOM 216 NH1 ARG A 15 -19.352 3.440 1.561 1.00 43.14 N ATOM 217 NH2 ARG A 15 -19.148 2.207 -0.349 1.00 71.21 N ATOM 0 H ARG A 15 -12.156 3.285 1.123 1.00 75.33 H new ATOM 0 HA ARG A 15 -13.093 5.900 1.034 1.00 33.04 H new ATOM 0 HB2 ARG A 15 -13.876 3.641 2.868 1.00 40.11 H new ATOM 0 HB3 ARG A 15 -14.685 5.195 2.852 1.00 40.11 H new ATOM 0 HG2 ARG A 15 -14.980 4.761 0.271 1.00 1.43 H new ATOM 0 HG3 ARG A 15 -14.608 3.094 0.665 1.00 1.43 H new ATOM 0 HD2 ARG A 15 -16.446 3.184 2.442 1.00 63.43 H new ATOM 0 HD3 ARG A 15 -16.874 4.775 1.845 1.00 63.43 H new ATOM 0 HE ARG A 15 -16.809 2.935 -0.353 1.00 44.25 H new ATOM 0 HH11 ARG A 15 -18.941 4.024 2.289 1.00 43.14 H new ATOM 0 HH12 ARG A 15 -20.349 3.228 1.580 1.00 43.14 H new ATOM 0 HH21 ARG A 15 -18.580 1.830 -1.108 1.00 71.21 H new ATOM 0 HH22 ARG A 15 -20.147 2.007 -0.312 1.00 71.21 H new ATOM 228 N ARG A 16 -11.415 5.166 3.824 1.00 43.34 N ATOM 229 CA ARG A 16 -10.787 5.740 5.016 1.00 40.14 C ATOM 230 C ARG A 16 -9.862 6.913 4.676 1.00 40.54 C ATOM 231 O ARG A 16 -9.870 7.884 5.430 1.00 55.33 O ATOM 232 CB ARG A 16 -10.032 4.640 5.782 1.00 64.05 C ATOM 233 CG ARG A 16 -10.971 3.630 6.464 1.00 11.54 C ATOM 234 CD ARG A 16 -10.340 2.236 6.612 1.00 71.23 C ATOM 235 NE ARG A 16 -10.768 1.540 7.836 1.00 43.44 N ATOM 236 CZ ARG A 16 -11.998 1.132 8.173 1.00 4.34 C ATOM 237 NH1 ARG A 16 -13.061 1.380 7.413 1.00 31.02 N ATOM 238 NH2 ARG A 16 -12.167 0.460 9.300 1.00 1.33 N ATOM 0 H ARG A 16 -11.241 4.168 3.708 1.00 43.34 H new ATOM 0 HA ARG A 16 -11.574 6.144 5.652 1.00 40.14 H new ATOM 0 HB2 ARG A 16 -9.376 4.109 5.092 1.00 64.05 H new ATOM 0 HB3 ARG A 16 -9.395 5.102 6.536 1.00 64.05 H new ATOM 0 HG2 ARG A 16 -11.247 4.005 7.449 1.00 11.54 H new ATOM 0 HG3 ARG A 16 -11.891 3.548 5.885 1.00 11.54 H new ATOM 0 HD2 ARG A 16 -10.603 1.630 5.745 1.00 71.23 H new ATOM 0 HD3 ARG A 16 -9.254 2.333 6.616 1.00 71.23 H new ATOM 0 HE ARG A 16 -10.033 1.343 8.515 1.00 43.44 H new ATOM 0 HH11 ARG A 16 -12.955 1.897 6.540 1.00 31.02 H new ATOM 0 HH12 ARG A 16 -13.983 1.053 7.703 1.00 31.02 H new ATOM 0 HH21 ARG A 16 -11.366 0.259 9.899 1.00 1.33 H new ATOM 0 HH22 ARG A 16 -13.098 0.143 9.570 1.00 1.33 H new ATOM 249 N ALA A 17 -9.081 6.842 3.593 1.00 64.11 N ATOM 250 CA ALA A 17 -8.210 7.942 3.178 1.00 74.33 C ATOM 251 C ALA A 17 -9.015 9.106 2.615 1.00 21.42 C ATOM 252 O ALA A 17 -8.804 10.254 3.014 1.00 64.34 O ATOM 253 CB ALA A 17 -7.230 7.474 2.104 1.00 44.22 C ATOM 0 H ALA A 17 -9.036 6.025 2.984 1.00 64.11 H new ATOM 0 HA ALA A 17 -7.668 8.272 4.064 1.00 74.33 H new ATOM 0 HB1 ALA A 17 -6.591 8.305 1.808 1.00 44.22 H new ATOM 0 HB2 ALA A 17 -6.615 6.666 2.500 1.00 44.22 H new ATOM 0 HB3 ALA A 17 -7.785 7.116 1.237 1.00 44.22 H new ATOM 259 N GLU A 18 -9.909 8.800 1.674 1.00 13.51 N ATOM 260 CA GLU A 18 -10.750 9.772 0.988 1.00 62.02 C ATOM 261 C GLU A 18 -11.610 10.557 1.991 1.00 3.42 C ATOM 262 O GLU A 18 -11.862 11.740 1.794 1.00 73.14 O ATOM 263 CB GLU A 18 -11.629 9.026 -0.024 1.00 72.05 C ATOM 264 CG GLU A 18 -10.961 8.767 -1.388 1.00 1.24 C ATOM 265 CD GLU A 18 -12.040 8.326 -2.379 1.00 44.23 C ATOM 266 OE1 GLU A 18 -12.853 9.191 -2.779 1.00 51.24 O ATOM 267 OE2 GLU A 18 -12.204 7.107 -2.615 1.00 15.13 O ATOM 0 H GLU A 18 -10.070 7.842 1.362 1.00 13.51 H new ATOM 0 HA GLU A 18 -10.124 10.496 0.466 1.00 62.02 H new ATOM 0 HB2 GLU A 18 -11.925 8.070 0.408 1.00 72.05 H new ATOM 0 HB3 GLU A 18 -12.542 9.600 -0.185 1.00 72.05 H new ATOM 0 HG2 GLU A 18 -10.465 9.670 -1.745 1.00 1.24 H new ATOM 0 HG3 GLU A 18 -10.195 7.998 -1.295 1.00 1.24 H new ATOM 272 N LEU A 19 -12.009 9.947 3.110 1.00 43.21 N ATOM 273 CA LEU A 19 -12.764 10.585 4.192 1.00 64.32 C ATOM 274 C LEU A 19 -11.948 11.615 4.972 1.00 23.40 C ATOM 275 O LEU A 19 -12.486 12.594 5.496 1.00 20.20 O ATOM 276 CB LEU A 19 -13.267 9.485 5.138 1.00 72.23 C ATOM 277 CG LEU A 19 -14.750 9.224 4.875 1.00 74.43 C ATOM 278 CD1 LEU A 19 -15.105 8.726 3.467 1.00 61.42 C ATOM 279 CD2 LEU A 19 -15.264 8.205 5.892 1.00 63.25 C ATOM 0 H LEU A 19 -11.809 8.964 3.294 1.00 43.21 H new ATOM 0 HA LEU A 19 -13.593 11.134 3.746 1.00 64.32 H new ATOM 0 HB2 LEU A 19 -12.694 8.570 4.987 1.00 72.23 H new ATOM 0 HB3 LEU A 19 -13.118 9.786 6.175 1.00 72.23 H new ATOM 0 HG LEU A 19 -15.229 10.199 4.970 1.00 74.43 H new ATOM 0 HD11 LEU A 19 -16.182 8.575 3.395 1.00 61.42 H new ATOM 0 HD12 LEU A 19 -14.792 9.466 2.730 1.00 61.42 H new ATOM 0 HD13 LEU A 19 -14.593 7.783 3.275 1.00 61.42 H new ATOM 0 HD21 LEU A 19 -16.322 8.013 5.712 1.00 63.25 H new ATOM 0 HD22 LEU A 19 -14.704 7.275 5.791 1.00 63.25 H new ATOM 0 HD23 LEU A 19 -15.134 8.599 6.900 1.00 63.25 H new ATOM 290 N GLY A 20 -10.640 11.405 5.022 1.00 55.45 N ATOM 291 CA GLY A 20 -9.650 12.399 5.440 1.00 2.33 C ATOM 292 C GLY A 20 -9.432 13.496 4.385 1.00 63.44 C ATOM 293 O GLY A 20 -8.713 14.468 4.641 1.00 62.45 O ATOM 0 H GLY A 20 -10.221 10.511 4.765 1.00 55.45 H new ATOM 0 HA2 GLY A 20 -9.973 12.858 6.374 1.00 2.33 H new ATOM 0 HA3 GLY A 20 -8.702 11.900 5.641 1.00 2.33 H new ATOM 297 N GLY A 21 -10.059 13.356 3.215 1.00 23.21 N ATOM 298 CA GLY A 21 -10.088 14.296 2.109 1.00 54.24 C ATOM 299 C GLY A 21 -8.969 14.100 1.103 1.00 15.43 C ATOM 300 O GLY A 21 -8.891 14.873 0.147 1.00 74.22 O ATOM 0 H GLY A 21 -10.599 12.516 3.008 1.00 23.21 H new ATOM 0 HA2 GLY A 21 -11.045 14.207 1.595 1.00 54.24 H new ATOM 0 HA3 GLY A 21 -10.033 15.310 2.506 1.00 54.24 H new ATOM 304 N ALA A 22 -8.095 13.121 1.330 1.00 2.32 N ATOM 305 CA ALA A 22 -6.925 12.883 0.507 1.00 22.31 C ATOM 306 C ALA A 22 -7.309 12.258 -0.835 1.00 1.43 C ATOM 307 O ALA A 22 -8.486 12.026 -1.132 1.00 22.11 O ATOM 308 CB ALA A 22 -5.962 11.998 1.295 1.00 61.04 C ATOM 0 H ALA A 22 -8.187 12.464 2.105 1.00 2.32 H new ATOM 0 HA ALA A 22 -6.435 13.828 0.271 1.00 22.31 H new ATOM 0 HB1 ALA A 22 -5.072 11.805 0.696 1.00 61.04 H new ATOM 0 HB2 ALA A 22 -5.675 12.503 2.217 1.00 61.04 H new ATOM 0 HB3 ALA A 22 -6.450 11.053 1.535 1.00 61.04 H new ATOM 314 N PHE A 23 -6.297 11.972 -1.645 1.00 0.14 N ATOM 315 CA PHE A 23 -6.431 11.530 -3.013 1.00 61.31 C ATOM 316 C PHE A 23 -5.992 10.069 -3.058 1.00 15.44 C ATOM 317 O PHE A 23 -4.818 9.774 -3.270 1.00 71.03 O ATOM 318 CB PHE A 23 -5.617 12.492 -3.905 1.00 1.12 C ATOM 319 CG PHE A 23 -6.209 12.718 -5.272 1.00 32.21 C ATOM 320 CD1 PHE A 23 -7.311 13.584 -5.421 1.00 22.22 C ATOM 321 CD2 PHE A 23 -5.682 12.042 -6.386 1.00 20.32 C ATOM 322 CE1 PHE A 23 -7.915 13.733 -6.681 1.00 61.14 C ATOM 323 CE2 PHE A 23 -6.297 12.186 -7.639 1.00 21.04 C ATOM 324 CZ PHE A 23 -7.416 13.024 -7.788 1.00 44.11 C ATOM 0 H PHE A 23 -5.324 12.047 -1.347 1.00 0.14 H new ATOM 0 HA PHE A 23 -7.451 11.562 -3.395 1.00 61.31 H new ATOM 0 HB2 PHE A 23 -5.528 13.452 -3.397 1.00 1.12 H new ATOM 0 HB3 PHE A 23 -4.608 12.097 -4.019 1.00 1.12 H new ATOM 0 HD1 PHE A 23 -7.690 14.131 -4.570 1.00 22.22 H new ATOM 0 HD2 PHE A 23 -4.809 11.415 -6.278 1.00 20.32 H new ATOM 0 HE1 PHE A 23 -8.762 14.392 -6.799 1.00 61.14 H new ATOM 0 HE2 PHE A 23 -5.909 11.651 -8.493 1.00 21.04 H new ATOM 0 HZ PHE A 23 -7.892 13.123 -8.752 1.00 44.11 H new ATOM 333 N ALA A 24 -6.912 9.136 -2.819 1.00 14.22 N ATOM 334 CA ALA A 24 -6.602 7.714 -2.802 1.00 24.32 C ATOM 335 C ALA A 24 -7.237 7.049 -4.016 1.00 24.30 C ATOM 336 O ALA A 24 -8.305 7.467 -4.466 1.00 35.34 O ATOM 337 CB ALA A 24 -7.080 7.086 -1.494 1.00 54.52 C ATOM 0 H ALA A 24 -7.892 9.348 -2.632 1.00 14.22 H new ATOM 0 HA ALA A 24 -5.523 7.566 -2.856 1.00 24.32 H new ATOM 0 HB1 ALA A 24 -6.843 6.022 -1.493 1.00 54.52 H new ATOM 0 HB2 ALA A 24 -6.581 7.570 -0.654 1.00 54.52 H new ATOM 0 HB3 ALA A 24 -8.158 7.217 -1.400 1.00 54.52 H new ATOM 343 N THR A 25 -6.609 5.991 -4.525 1.00 75.24 N ATOM 344 CA THR A 25 -7.170 5.190 -5.595 1.00 11.43 C ATOM 345 C THR A 25 -6.569 3.795 -5.576 1.00 22.01 C ATOM 346 O THR A 25 -5.509 3.551 -4.990 1.00 60.23 O ATOM 347 CB THR A 25 -7.022 5.899 -6.945 1.00 52.31 C ATOM 348 OG1 THR A 25 -7.922 5.361 -7.882 1.00 74.34 O ATOM 349 CG2 THR A 25 -5.618 5.877 -7.515 1.00 14.22 C ATOM 0 H THR A 25 -5.696 5.670 -4.202 1.00 75.24 H new ATOM 0 HA THR A 25 -8.242 5.072 -5.436 1.00 11.43 H new ATOM 0 HB THR A 25 -7.253 6.946 -6.749 1.00 52.31 H new ATOM 0 HG1 THR A 25 -7.611 4.475 -8.163 1.00 74.34 H new ATOM 0 HG21 THR A 25 -5.605 6.401 -8.471 1.00 14.22 H new ATOM 0 HG22 THR A 25 -4.936 6.370 -6.822 1.00 14.22 H new ATOM 0 HG23 THR A 25 -5.302 4.845 -7.663 1.00 14.22 H new ATOM 357 N VAL A 26 -7.278 2.876 -6.220 1.00 44.22 N ATOM 358 CA VAL A 26 -6.769 1.581 -6.606 1.00 4.53 C ATOM 359 C VAL A 26 -6.325 1.716 -8.063 1.00 54.33 C ATOM 360 O VAL A 26 -7.019 2.330 -8.877 1.00 20.33 O ATOM 361 CB VAL A 26 -7.848 0.516 -6.341 1.00 35.11 C ATOM 362 CG1 VAL A 26 -9.181 0.721 -7.080 1.00 64.01 C ATOM 363 CG2 VAL A 26 -7.300 -0.874 -6.657 1.00 54.45 C ATOM 0 H VAL A 26 -8.250 3.023 -6.492 1.00 44.22 H new ATOM 0 HA VAL A 26 -5.907 1.250 -6.026 1.00 4.53 H new ATOM 0 HB VAL A 26 -8.086 0.621 -5.282 1.00 35.11 H new ATOM 0 HG11 VAL A 26 -9.868 -0.085 -6.822 1.00 64.01 H new ATOM 0 HG12 VAL A 26 -9.616 1.677 -6.787 1.00 64.01 H new ATOM 0 HG13 VAL A 26 -9.005 0.717 -8.156 1.00 64.01 H new ATOM 0 HG21 VAL A 26 -8.071 -1.621 -6.466 1.00 54.45 H new ATOM 0 HG22 VAL A 26 -7.003 -0.918 -7.705 1.00 54.45 H new ATOM 0 HG23 VAL A 26 -6.435 -1.076 -6.026 1.00 54.45 H new ATOM 373 N ALA A 27 -5.143 1.181 -8.359 1.00 71.01 N ATOM 374 CA ALA A 27 -4.458 1.319 -9.638 1.00 5.24 C ATOM 375 C ALA A 27 -4.060 -0.042 -10.225 1.00 43.15 C ATOM 376 O ALA A 27 -3.438 -0.105 -11.288 1.00 64.42 O ATOM 377 CB ALA A 27 -3.241 2.220 -9.424 1.00 30.41 C ATOM 0 H ALA A 27 -4.618 0.619 -7.689 1.00 71.01 H new ATOM 0 HA ALA A 27 -5.130 1.770 -10.368 1.00 5.24 H new ATOM 0 HB1 ALA A 27 -2.708 2.341 -10.367 1.00 30.41 H new ATOM 0 HB2 ALA A 27 -3.569 3.195 -9.065 1.00 30.41 H new ATOM 0 HB3 ALA A 27 -2.577 1.766 -8.688 1.00 30.41 H new ATOM 383 N ARG A 28 -4.393 -1.150 -9.552 1.00 65.24 N ATOM 384 CA ARG A 28 -4.184 -2.520 -10.038 1.00 53.55 C ATOM 385 C ARG A 28 -5.173 -3.439 -9.340 1.00 72.42 C ATOM 386 O ARG A 28 -5.525 -3.176 -8.188 1.00 54.25 O ATOM 387 CB ARG A 28 -2.757 -2.970 -9.713 1.00 43.21 C ATOM 388 CG ARG A 28 -2.130 -3.986 -10.663 1.00 25.41 C ATOM 389 CD ARG A 28 -1.349 -3.248 -11.747 1.00 61.44 C ATOM 390 NE ARG A 28 -0.520 -4.177 -12.521 1.00 33.11 N ATOM 391 CZ ARG A 28 0.021 -3.906 -13.710 1.00 1.41 C ATOM 392 NH1 ARG A 28 -0.261 -2.777 -14.354 1.00 65.04 N ATOM 393 NH2 ARG A 28 0.858 -4.770 -14.262 1.00 44.32 N ATOM 0 H ARG A 28 -4.827 -1.118 -8.629 1.00 65.24 H new ATOM 0 HA ARG A 28 -4.334 -2.557 -11.117 1.00 53.55 H new ATOM 0 HB2 ARG A 28 -2.118 -2.087 -9.688 1.00 43.21 H new ATOM 0 HB3 ARG A 28 -2.754 -3.394 -8.709 1.00 43.21 H new ATOM 0 HG2 ARG A 28 -1.468 -4.655 -10.113 1.00 25.41 H new ATOM 0 HG3 ARG A 28 -2.905 -4.605 -11.115 1.00 25.41 H new ATOM 0 HD2 ARG A 28 -2.042 -2.732 -12.412 1.00 61.44 H new ATOM 0 HD3 ARG A 28 -0.718 -2.485 -11.290 1.00 61.44 H new ATOM 0 HE ARG A 28 -0.344 -5.099 -12.121 1.00 33.11 H new ATOM 0 HH11 ARG A 28 -0.901 -2.100 -13.940 1.00 65.04 H new ATOM 0 HH12 ARG A 28 0.163 -2.588 -15.262 1.00 65.04 H new ATOM 0 HH21 ARG A 28 1.087 -5.638 -13.779 1.00 44.32 H new ATOM 0 HH22 ARG A 28 1.274 -4.567 -15.171 1.00 44.32 H new ATOM 404 N LYS A 29 -5.527 -4.546 -9.985 1.00 4.11 N ATOM 405 CA LYS A 29 -6.600 -5.431 -9.565 1.00 42.12 C ATOM 406 C LYS A 29 -6.048 -6.850 -9.524 1.00 13.41 C ATOM 407 O LYS A 29 -6.128 -7.576 -10.517 1.00 31.32 O ATOM 408 CB LYS A 29 -7.786 -5.250 -10.526 1.00 10.24 C ATOM 409 CG LYS A 29 -8.967 -6.168 -10.189 1.00 12.44 C ATOM 410 CD LYS A 29 -10.158 -5.919 -11.131 1.00 12.32 C ATOM 411 CE LYS A 29 -11.109 -4.822 -10.634 1.00 62.45 C ATOM 412 NZ LYS A 29 -11.671 -5.143 -9.304 1.00 35.30 N ATOM 0 H LYS A 29 -5.061 -4.858 -10.837 1.00 4.11 H new ATOM 0 HA LYS A 29 -6.971 -5.201 -8.566 1.00 42.12 H new ATOM 0 HB2 LYS A 29 -8.118 -4.212 -10.495 1.00 10.24 H new ATOM 0 HB3 LYS A 29 -7.456 -5.449 -11.545 1.00 10.24 H new ATOM 0 HG2 LYS A 29 -8.653 -7.209 -10.264 1.00 12.44 H new ATOM 0 HG3 LYS A 29 -9.276 -6.002 -9.157 1.00 12.44 H new ATOM 0 HD2 LYS A 29 -9.781 -5.644 -12.116 1.00 12.32 H new ATOM 0 HD3 LYS A 29 -10.717 -6.847 -11.251 1.00 12.32 H new ATOM 0 HE2 LYS A 29 -10.575 -3.873 -10.583 1.00 62.45 H new ATOM 0 HE3 LYS A 29 -11.921 -4.693 -11.350 1.00 62.45 H new ATOM 0 HZ1 LYS A 29 -12.579 -4.651 -9.183 1.00 35.30 H new ATOM 0 HZ2 LYS A 29 -11.821 -6.169 -9.229 1.00 35.30 H new ATOM 0 HZ3 LYS A 29 -11.009 -4.835 -8.564 1.00 35.30 H new ATOM 422 N GLY A 30 -5.487 -7.220 -8.371 1.00 31.02 N ATOM 423 CA GLY A 30 -5.113 -8.590 -8.053 1.00 2.42 C ATOM 424 C GLY A 30 -6.345 -9.502 -7.997 1.00 23.10 C ATOM 425 O GLY A 30 -7.470 -9.067 -8.237 1.00 31.12 O ATOM 0 H GLY A 30 -5.278 -6.560 -7.622 1.00 31.02 H new ATOM 0 HA2 GLY A 30 -4.415 -8.963 -8.803 1.00 2.42 H new ATOM 0 HA3 GLY A 30 -4.595 -8.615 -7.094 1.00 2.42 H new ATOM 429 N ASP A 31 -6.155 -10.755 -7.575 1.00 32.13 N ATOM 430 CA ASP A 31 -7.089 -11.885 -7.747 1.00 12.14 C ATOM 431 C ASP A 31 -8.356 -11.851 -6.877 1.00 30.23 C ATOM 432 O ASP A 31 -8.959 -12.882 -6.602 1.00 71.03 O ATOM 433 CB ASP A 31 -6.316 -13.178 -7.411 1.00 14.40 C ATOM 434 CG ASP A 31 -6.952 -14.412 -8.067 1.00 30.24 C ATOM 435 OD1 ASP A 31 -7.058 -14.423 -9.317 1.00 50.31 O ATOM 436 OD2 ASP A 31 -7.329 -15.351 -7.331 1.00 21.01 O ATOM 0 H ASP A 31 -5.306 -11.028 -7.079 1.00 32.13 H new ATOM 0 HA ASP A 31 -7.443 -11.828 -8.776 1.00 12.14 H new ATOM 0 HB2 ASP A 31 -5.283 -13.081 -7.745 1.00 14.40 H new ATOM 0 HB3 ASP A 31 -6.289 -13.315 -6.330 1.00 14.40 H new ATOM 440 N ALA A 32 -8.762 -10.668 -6.420 1.00 1.20 N ATOM 441 CA ALA A 32 -9.735 -10.300 -5.383 1.00 71.23 C ATOM 442 C ALA A 32 -9.601 -11.025 -4.042 1.00 63.41 C ATOM 443 O ALA A 32 -10.023 -10.494 -3.021 1.00 53.11 O ATOM 444 CB ALA A 32 -11.160 -10.408 -5.929 1.00 24.20 C ATOM 0 H ALA A 32 -8.360 -9.823 -6.825 1.00 1.20 H new ATOM 0 HA ALA A 32 -9.498 -9.264 -5.140 1.00 71.23 H new ATOM 0 HB1 ALA A 32 -11.870 -10.132 -5.149 1.00 24.20 H new ATOM 0 HB2 ALA A 32 -11.276 -9.736 -6.779 1.00 24.20 H new ATOM 0 HB3 ALA A 32 -11.351 -11.433 -6.248 1.00 24.20 H new ATOM 450 N ARG A 33 -8.980 -12.193 -4.009 1.00 23.34 N ATOM 451 CA ARG A 33 -9.060 -13.180 -2.947 1.00 51.54 C ATOM 452 C ARG A 33 -7.696 -13.805 -2.726 1.00 74.24 C ATOM 453 O ARG A 33 -7.331 -14.012 -1.576 1.00 44.33 O ATOM 454 CB ARG A 33 -10.101 -14.225 -3.376 1.00 71.03 C ATOM 455 CG ARG A 33 -11.508 -13.830 -2.899 1.00 20.21 C ATOM 456 CD ARG A 33 -12.595 -14.494 -3.736 1.00 73.11 C ATOM 457 NE ARG A 33 -13.944 -14.030 -3.361 1.00 74.13 N ATOM 458 CZ ARG A 33 -15.007 -14.018 -4.175 1.00 23.24 C ATOM 459 NH1 ARG A 33 -14.890 -14.362 -5.454 1.00 43.35 N ATOM 460 NH2 ARG A 33 -16.197 -13.687 -3.689 1.00 63.15 N ATOM 0 H ARG A 33 -8.370 -12.494 -4.769 1.00 23.34 H new ATOM 0 HA ARG A 33 -9.362 -12.729 -2.002 1.00 51.54 H new ATOM 0 HB2 ARG A 33 -10.096 -14.324 -4.461 1.00 71.03 H new ATOM 0 HB3 ARG A 33 -9.834 -15.199 -2.966 1.00 71.03 H new ATOM 0 HG2 ARG A 33 -11.630 -14.113 -1.853 1.00 20.21 H new ATOM 0 HG3 ARG A 33 -11.619 -12.747 -2.951 1.00 20.21 H new ATOM 0 HD2 ARG A 33 -12.420 -14.283 -4.791 1.00 73.11 H new ATOM 0 HD3 ARG A 33 -12.537 -15.576 -3.613 1.00 73.11 H new ATOM 0 HE ARG A 33 -14.077 -13.692 -2.408 1.00 74.13 H new ATOM 0 HH11 ARG A 33 -13.982 -14.640 -5.826 1.00 43.35 H new ATOM 0 HH12 ARG A 33 -15.708 -14.348 -6.063 1.00 43.35 H new ATOM 0 HH21 ARG A 33 -16.296 -13.445 -2.703 1.00 63.15 H new ATOM 0 HH22 ARG A 33 -17.013 -13.675 -4.301 1.00 63.15 H new ATOM 471 N ALA A 34 -6.909 -14.016 -3.781 1.00 34.40 N ATOM 472 CA ALA A 34 -5.522 -14.463 -3.692 1.00 34.40 C ATOM 473 C ALA A 34 -4.578 -13.451 -4.343 1.00 64.12 C ATOM 474 O ALA A 34 -3.518 -13.807 -4.861 1.00 53.13 O ATOM 475 CB ALA A 34 -5.388 -15.881 -4.257 1.00 50.23 C ATOM 0 H ALA A 34 -7.226 -13.878 -4.741 1.00 34.40 H new ATOM 0 HA ALA A 34 -5.222 -14.515 -2.645 1.00 34.40 H new ATOM 0 HB1 ALA A 34 -4.350 -16.204 -4.186 1.00 50.23 H new ATOM 0 HB2 ALA A 34 -6.020 -16.561 -3.686 1.00 50.23 H new ATOM 0 HB3 ALA A 34 -5.699 -15.887 -5.302 1.00 50.23 H new ATOM 481 N GLY A 35 -4.987 -12.180 -4.360 1.00 55.14 N ATOM 482 CA GLY A 35 -4.117 -11.102 -4.770 1.00 30.43 C ATOM 483 C GLY A 35 -3.407 -10.571 -3.533 1.00 0.44 C ATOM 484 O GLY A 35 -4.059 -10.338 -2.513 1.00 60.45 O ATOM 0 H GLY A 35 -5.925 -11.882 -4.090 1.00 55.14 H new ATOM 0 HA2 GLY A 35 -3.392 -11.456 -5.503 1.00 30.43 H new ATOM 0 HA3 GLY A 35 -4.692 -10.309 -5.248 1.00 30.43 H new ATOM 488 N ALA A 36 -2.094 -10.390 -3.636 1.00 71.24 N ATOM 489 CA ALA A 36 -1.296 -9.640 -2.659 1.00 74.01 C ATOM 490 C ALA A 36 -1.525 -8.128 -2.849 1.00 71.34 C ATOM 491 O ALA A 36 -2.236 -7.733 -3.781 1.00 34.00 O ATOM 492 CB ALA A 36 0.183 -10.025 -2.819 1.00 10.42 C ATOM 0 H ALA A 36 -1.543 -10.763 -4.409 1.00 71.24 H new ATOM 0 HA ALA A 36 -1.603 -9.890 -1.643 1.00 74.01 H new ATOM 0 HB1 ALA A 36 0.783 -9.472 -2.096 1.00 10.42 H new ATOM 0 HB2 ALA A 36 0.301 -11.095 -2.646 1.00 10.42 H new ATOM 0 HB3 ALA A 36 0.515 -9.782 -3.828 1.00 10.42 H new ATOM 498 N VAL A 37 -0.906 -7.272 -2.028 1.00 72.14 N ATOM 499 CA VAL A 37 -1.132 -5.825 -2.008 1.00 64.42 C ATOM 500 C VAL A 37 0.206 -5.057 -1.943 1.00 31.20 C ATOM 501 O VAL A 37 1.231 -5.595 -1.516 1.00 55.53 O ATOM 502 CB VAL A 37 -2.056 -5.512 -0.801 1.00 31.40 C ATOM 503 CG1 VAL A 37 -2.514 -4.050 -0.749 1.00 74.13 C ATOM 504 CG2 VAL A 37 -3.340 -6.360 -0.795 1.00 44.13 C ATOM 0 H VAL A 37 -0.216 -7.576 -1.341 1.00 72.14 H new ATOM 0 HA VAL A 37 -1.617 -5.496 -2.927 1.00 64.42 H new ATOM 0 HB VAL A 37 -1.430 -5.746 0.060 1.00 31.40 H new ATOM 0 HG11 VAL A 37 -3.156 -3.901 0.119 1.00 74.13 H new ATOM 0 HG12 VAL A 37 -1.643 -3.399 -0.672 1.00 74.13 H new ATOM 0 HG13 VAL A 37 -3.068 -3.810 -1.656 1.00 74.13 H new ATOM 0 HG21 VAL A 37 -3.946 -6.097 0.072 1.00 44.13 H new ATOM 0 HG22 VAL A 37 -3.907 -6.168 -1.706 1.00 44.13 H new ATOM 0 HG23 VAL A 37 -3.078 -7.417 -0.747 1.00 44.13 H new ATOM 514 N LEU A 38 0.182 -3.771 -2.320 1.00 21.42 N ATOM 515 CA LEU A 38 1.143 -2.736 -1.935 1.00 33.21 C ATOM 516 C LEU A 38 0.389 -1.550 -1.348 1.00 72.45 C ATOM 517 O LEU A 38 -0.771 -1.315 -1.696 1.00 23.40 O ATOM 518 CB LEU A 38 1.934 -2.185 -3.139 1.00 15.51 C ATOM 519 CG LEU A 38 3.071 -3.054 -3.683 1.00 4.22 C ATOM 520 CD1 LEU A 38 3.808 -2.272 -4.772 1.00 41.22 C ATOM 521 CD2 LEU A 38 4.093 -3.413 -2.620 1.00 42.24 C ATOM 0 H LEU A 38 -0.548 -3.409 -2.934 1.00 21.42 H new ATOM 0 HA LEU A 38 1.831 -3.198 -1.226 1.00 33.21 H new ATOM 0 HB2 LEU A 38 1.230 -2.002 -3.951 1.00 15.51 H new ATOM 0 HB3 LEU A 38 2.352 -1.219 -2.856 1.00 15.51 H new ATOM 0 HG LEU A 38 2.621 -3.973 -4.058 1.00 4.22 H new ATOM 0 HD11 LEU A 38 4.621 -2.879 -5.169 1.00 41.22 H new ATOM 0 HD12 LEU A 38 3.114 -2.025 -5.575 1.00 41.22 H new ATOM 0 HD13 LEU A 38 4.214 -1.354 -4.349 1.00 41.22 H new ATOM 0 HD21 LEU A 38 4.876 -4.030 -3.061 1.00 42.24 H new ATOM 0 HD22 LEU A 38 4.533 -2.501 -2.216 1.00 42.24 H new ATOM 0 HD23 LEU A 38 3.605 -3.966 -1.818 1.00 42.24 H new ATOM 532 N VAL A 39 1.100 -0.741 -0.561 1.00 42.51 N ATOM 533 CA VAL A 39 0.664 0.573 -0.105 1.00 33.01 C ATOM 534 C VAL A 39 1.823 1.512 -0.411 1.00 73.21 C ATOM 535 O VAL A 39 2.782 1.591 0.363 1.00 54.44 O ATOM 536 CB VAL A 39 0.329 0.561 1.400 1.00 60.35 C ATOM 537 CG1 VAL A 39 -0.124 1.953 1.880 1.00 53.33 C ATOM 538 CG2 VAL A 39 -0.742 -0.467 1.767 1.00 33.12 C ATOM 0 H VAL A 39 2.025 -0.994 -0.214 1.00 42.51 H new ATOM 0 HA VAL A 39 -0.250 0.890 -0.606 1.00 33.01 H new ATOM 0 HB VAL A 39 1.253 0.277 1.904 1.00 60.35 H new ATOM 0 HG11 VAL A 39 -0.353 1.914 2.945 1.00 53.33 H new ATOM 0 HG12 VAL A 39 0.674 2.675 1.707 1.00 53.33 H new ATOM 0 HG13 VAL A 39 -1.014 2.256 1.328 1.00 53.33 H new ATOM 0 HG21 VAL A 39 -0.933 -0.426 2.839 1.00 33.12 H new ATOM 0 HG22 VAL A 39 -1.661 -0.244 1.226 1.00 33.12 H new ATOM 0 HG23 VAL A 39 -0.396 -1.465 1.498 1.00 33.12 H new ATOM 548 N LYS A 40 1.779 2.210 -1.543 1.00 12.21 N ATOM 549 CA LYS A 40 2.769 3.239 -1.834 1.00 11.13 C ATOM 550 C LYS A 40 2.086 4.564 -1.513 1.00 53.11 C ATOM 551 O LYS A 40 1.108 4.910 -2.180 1.00 4.30 O ATOM 552 CB LYS A 40 3.206 3.148 -3.305 1.00 1.41 C ATOM 553 CG LYS A 40 4.407 4.063 -3.599 1.00 20.45 C ATOM 554 CD LYS A 40 4.285 4.895 -4.881 1.00 13.34 C ATOM 555 CE LYS A 40 3.417 6.148 -4.718 1.00 31.21 C ATOM 556 NZ LYS A 40 1.969 5.883 -4.743 1.00 2.31 N ATOM 0 H LYS A 40 1.073 2.082 -2.268 1.00 12.21 H new ATOM 0 HA LYS A 40 3.679 3.127 -1.244 1.00 11.13 H new ATOM 0 HB2 LYS A 40 3.467 2.117 -3.544 1.00 1.41 H new ATOM 0 HB3 LYS A 40 2.372 3.424 -3.950 1.00 1.41 H new ATOM 0 HG2 LYS A 40 4.545 4.740 -2.756 1.00 20.45 H new ATOM 0 HG3 LYS A 40 5.305 3.449 -3.665 1.00 20.45 H new ATOM 0 HD2 LYS A 40 5.281 5.193 -5.207 1.00 13.34 H new ATOM 0 HD3 LYS A 40 3.864 4.272 -5.670 1.00 13.34 H new ATOM 0 HE2 LYS A 40 3.671 6.633 -3.775 1.00 31.21 H new ATOM 0 HE3 LYS A 40 3.661 6.852 -5.514 1.00 31.21 H new ATOM 0 HZ1 LYS A 40 1.462 6.749 -5.017 1.00 2.31 H new ATOM 0 HZ2 LYS A 40 1.766 5.130 -5.431 1.00 2.31 H new ATOM 0 HZ3 LYS A 40 1.655 5.582 -3.798 1.00 2.31 H new ATOM 566 N ALA A 41 2.540 5.267 -0.482 1.00 72.04 N ATOM 567 CA ALA A 41 1.962 6.520 -0.019 1.00 22.11 C ATOM 568 C ALA A 41 2.978 7.641 -0.198 1.00 2.31 C ATOM 569 O ALA A 41 4.184 7.401 -0.135 1.00 35.21 O ATOM 570 CB ALA A 41 1.576 6.392 1.458 1.00 15.53 C ATOM 0 H ALA A 41 3.345 4.971 0.070 1.00 72.04 H new ATOM 0 HA ALA A 41 1.069 6.749 -0.600 1.00 22.11 H new ATOM 0 HB1 ALA A 41 1.143 7.331 1.804 1.00 15.53 H new ATOM 0 HB2 ALA A 41 0.846 5.591 1.575 1.00 15.53 H new ATOM 0 HB3 ALA A 41 2.464 6.163 2.048 1.00 15.53 H new ATOM 576 N VAL A 42 2.496 8.871 -0.353 1.00 60.45 N ATOM 577 CA VAL A 42 3.353 10.013 -0.649 1.00 24.32 C ATOM 578 C VAL A 42 3.327 10.952 0.567 1.00 72.54 C ATOM 579 O VAL A 42 2.371 10.923 1.349 1.00 51.35 O ATOM 580 CB VAL A 42 2.844 10.672 -1.952 1.00 41.41 C ATOM 581 CG1 VAL A 42 1.740 11.696 -1.680 1.00 23.21 C ATOM 582 CG2 VAL A 42 3.969 11.252 -2.807 1.00 33.25 C ATOM 0 H VAL A 42 1.506 9.103 -0.277 1.00 60.45 H new ATOM 0 HA VAL A 42 4.392 9.730 -0.818 1.00 24.32 H new ATOM 0 HB VAL A 42 2.401 9.871 -2.544 1.00 41.41 H new ATOM 0 HG11 VAL A 42 1.411 12.135 -2.622 1.00 23.21 H new ATOM 0 HG12 VAL A 42 0.897 11.203 -1.196 1.00 23.21 H new ATOM 0 HG13 VAL A 42 2.124 12.481 -1.028 1.00 23.21 H new ATOM 0 HG21 VAL A 42 3.548 11.700 -3.707 1.00 33.25 H new ATOM 0 HG22 VAL A 42 4.503 12.013 -2.238 1.00 33.25 H new ATOM 0 HG23 VAL A 42 4.660 10.457 -3.087 1.00 33.25 H new ATOM 592 N ASP A 43 4.308 11.848 0.682 1.00 32.51 N ATOM 593 CA ASP A 43 4.286 12.982 1.601 1.00 55.23 C ATOM 594 C ASP A 43 4.340 14.264 0.774 1.00 32.53 C ATOM 595 O ASP A 43 5.408 14.826 0.507 1.00 12.24 O ATOM 596 CB ASP A 43 5.441 12.918 2.605 1.00 34.31 C ATOM 597 CG ASP A 43 5.283 13.956 3.725 1.00 21.53 C ATOM 598 OD1 ASP A 43 5.093 15.159 3.440 1.00 0.24 O ATOM 599 OD2 ASP A 43 5.372 13.534 4.903 1.00 12.32 O ATOM 0 H ASP A 43 5.160 11.802 0.124 1.00 32.51 H new ATOM 0 HA ASP A 43 3.369 12.958 2.189 1.00 55.23 H new ATOM 0 HB2 ASP A 43 5.490 11.920 3.039 1.00 34.31 H new ATOM 0 HB3 ASP A 43 6.384 13.086 2.085 1.00 34.31 H new ATOM 603 N ARG A 44 3.196 14.727 0.269 1.00 2.01 N ATOM 604 CA ARG A 44 3.179 15.982 -0.489 1.00 34.30 C ATOM 605 C ARG A 44 3.291 17.203 0.422 1.00 0.21 C ATOM 606 O ARG A 44 3.311 18.312 -0.107 1.00 53.31 O ATOM 607 CB ARG A 44 1.967 16.046 -1.436 1.00 75.04 C ATOM 608 CG ARG A 44 2.176 15.171 -2.688 1.00 73.45 C ATOM 609 CD ARG A 44 3.141 15.743 -3.729 1.00 32.11 C ATOM 610 NE ARG A 44 2.591 16.919 -4.415 1.00 71.32 N ATOM 611 CZ ARG A 44 1.702 16.897 -5.415 1.00 60.34 C ATOM 612 NH1 ARG A 44 1.115 15.766 -5.793 1.00 61.05 N ATOM 613 NH2 ARG A 44 1.402 18.030 -6.035 1.00 22.12 N ATOM 0 H ARG A 44 2.290 14.268 0.366 1.00 2.01 H new ATOM 0 HA ARG A 44 4.068 16.001 -1.120 1.00 34.30 H new ATOM 0 HB2 ARG A 44 1.073 15.716 -0.906 1.00 75.04 H new ATOM 0 HB3 ARG A 44 1.795 17.079 -1.738 1.00 75.04 H new ATOM 0 HG2 ARG A 44 2.544 14.195 -2.372 1.00 73.45 H new ATOM 0 HG3 ARG A 44 1.209 15.008 -3.163 1.00 73.45 H new ATOM 0 HD2 ARG A 44 4.077 16.015 -3.242 1.00 32.11 H new ATOM 0 HD3 ARG A 44 3.376 14.973 -4.464 1.00 32.11 H new ATOM 0 HE ARG A 44 2.915 17.834 -4.102 1.00 71.32 H new ATOM 0 HH11 ARG A 44 1.339 14.892 -5.318 1.00 61.05 H new ATOM 0 HH12 ARG A 44 0.440 15.773 -6.558 1.00 61.05 H new ATOM 0 HH21 ARG A 44 1.847 18.902 -5.748 1.00 22.12 H new ATOM 0 HH22 ARG A 44 0.726 18.030 -6.799 1.00 22.12 H new ATOM 624 N ARG A 45 3.351 17.069 1.753 1.00 72.54 N ATOM 625 CA ARG A 45 3.581 18.221 2.620 1.00 72.53 C ATOM 626 C ARG A 45 5.039 18.639 2.486 1.00 61.52 C ATOM 627 O ARG A 45 5.319 19.764 2.073 1.00 34.31 O ATOM 628 CB ARG A 45 3.175 17.912 4.077 1.00 14.31 C ATOM 629 CG ARG A 45 2.337 19.066 4.631 1.00 72.22 C ATOM 630 CD ARG A 45 1.769 18.768 6.018 1.00 22.30 C ATOM 631 NE ARG A 45 0.884 19.861 6.447 1.00 51.33 N ATOM 632 CZ ARG A 45 1.242 20.968 7.103 1.00 71.43 C ATOM 633 NH1 ARG A 45 2.504 21.183 7.447 1.00 74.12 N ATOM 634 NH2 ARG A 45 0.309 21.863 7.387 1.00 22.22 N ATOM 0 H ARG A 45 3.244 16.182 2.245 1.00 72.54 H new ATOM 0 HA ARG A 45 2.953 19.057 2.313 1.00 72.53 H new ATOM 0 HB2 ARG A 45 2.606 16.983 4.118 1.00 14.31 H new ATOM 0 HB3 ARG A 45 4.064 17.768 4.690 1.00 14.31 H new ATOM 0 HG2 ARG A 45 2.951 19.965 4.680 1.00 72.22 H new ATOM 0 HG3 ARG A 45 1.517 19.277 3.944 1.00 72.22 H new ATOM 0 HD2 ARG A 45 1.217 17.829 5.999 1.00 22.30 H new ATOM 0 HD3 ARG A 45 2.582 18.646 6.734 1.00 22.30 H new ATOM 0 HE ARG A 45 -0.106 19.764 6.220 1.00 51.33 H new ATOM 0 HH11 ARG A 45 3.221 20.497 7.211 1.00 74.12 H new ATOM 0 HH12 ARG A 45 2.758 22.035 7.948 1.00 74.12 H new ATOM 0 HH21 ARG A 45 -0.658 21.699 7.106 1.00 22.22 H new ATOM 0 HH22 ARG A 45 0.557 22.717 7.887 1.00 22.22 H new ATOM 645 N GLU A 46 5.960 17.732 2.807 1.00 4.11 N ATOM 646 CA GLU A 46 7.396 17.976 2.778 1.00 55.10 C ATOM 647 C GLU A 46 7.971 17.769 1.375 1.00 34.13 C ATOM 648 O GLU A 46 9.046 18.292 1.062 1.00 74.21 O ATOM 649 CB GLU A 46 8.114 17.063 3.786 1.00 44.40 C ATOM 650 CG GLU A 46 7.529 17.231 5.201 1.00 32.23 C ATOM 651 CD GLU A 46 8.474 16.904 6.360 1.00 23.31 C ATOM 652 OE1 GLU A 46 9.706 16.755 6.180 1.00 4.25 O ATOM 653 OE2 GLU A 46 7.991 16.916 7.518 1.00 43.21 O ATOM 0 H GLU A 46 5.720 16.785 3.101 1.00 4.11 H new ATOM 0 HA GLU A 46 7.562 19.016 3.058 1.00 55.10 H new ATOM 0 HB2 GLU A 46 8.020 16.024 3.471 1.00 44.40 H new ATOM 0 HB3 GLU A 46 9.179 17.297 3.799 1.00 44.40 H new ATOM 0 HG2 GLU A 46 7.191 18.261 5.313 1.00 32.23 H new ATOM 0 HG3 GLU A 46 6.648 16.595 5.286 1.00 32.23 H new ATOM 658 N GLY A 47 7.264 17.044 0.506 1.00 75.12 N ATOM 659 CA GLY A 47 7.756 16.672 -0.812 1.00 3.11 C ATOM 660 C GLY A 47 8.536 15.359 -0.770 1.00 2.21 C ATOM 661 O GLY A 47 9.374 15.146 -1.643 1.00 55.20 O ATOM 0 H GLY A 47 6.325 16.698 0.704 1.00 75.12 H new ATOM 0 HA2 GLY A 47 6.917 16.576 -1.501 1.00 3.11 H new ATOM 0 HA3 GLY A 47 8.397 17.464 -1.199 1.00 3.11 H new ATOM 665 N THR A 48 8.311 14.500 0.231 1.00 13.32 N ATOM 666 CA THR A 48 8.915 13.174 0.312 1.00 64.10 C ATOM 667 C THR A 48 7.903 12.096 -0.099 1.00 54.24 C ATOM 668 O THR A 48 6.798 12.410 -0.550 1.00 32.22 O ATOM 669 CB THR A 48 9.605 12.964 1.674 1.00 42.30 C ATOM 670 OG1 THR A 48 8.782 13.189 2.801 1.00 34.41 O ATOM 671 CG2 THR A 48 10.789 13.928 1.804 1.00 62.31 C ATOM 0 H THR A 48 7.695 14.714 1.016 1.00 13.32 H new ATOM 0 HA THR A 48 9.724 13.084 -0.413 1.00 64.10 H new ATOM 0 HB THR A 48 9.897 11.914 1.676 1.00 42.30 H new ATOM 0 HG1 THR A 48 9.298 13.032 3.619 1.00 34.41 H new ATOM 0 HG21 THR A 48 11.276 13.778 2.768 1.00 62.31 H new ATOM 0 HG22 THR A 48 11.503 13.737 1.003 1.00 62.31 H new ATOM 0 HG23 THR A 48 10.431 14.955 1.734 1.00 62.31 H new ATOM 679 N ALA A 49 8.263 10.818 -0.013 1.00 74.50 N ATOM 680 CA ALA A 49 7.351 9.705 -0.223 1.00 1.43 C ATOM 681 C ALA A 49 7.750 8.546 0.695 1.00 63.32 C ATOM 682 O ALA A 49 8.771 8.611 1.394 1.00 21.12 O ATOM 683 CB ALA A 49 7.333 9.342 -1.717 1.00 42.40 C ATOM 0 H ALA A 49 9.215 10.525 0.209 1.00 74.50 H new ATOM 0 HA ALA A 49 6.328 9.971 0.043 1.00 1.43 H new ATOM 0 HB1 ALA A 49 6.651 8.508 -1.881 1.00 42.40 H new ATOM 0 HB2 ALA A 49 6.999 10.203 -2.297 1.00 42.40 H new ATOM 0 HB3 ALA A 49 8.336 9.058 -2.034 1.00 42.40 H new ATOM 689 N ARG A 50 6.935 7.490 0.729 1.00 21.33 N ATOM 690 CA ARG A 50 7.162 6.263 1.494 1.00 75.43 C ATOM 691 C ARG A 50 6.895 5.074 0.571 1.00 20.32 C ATOM 692 O ARG A 50 6.474 5.240 -0.573 1.00 55.12 O ATOM 693 CB ARG A 50 6.232 6.218 2.728 1.00 43.44 C ATOM 694 CG ARG A 50 6.388 7.375 3.727 1.00 55.31 C ATOM 695 CD ARG A 50 7.705 7.332 4.516 1.00 20.44 C ATOM 696 NE ARG A 50 7.924 8.590 5.246 1.00 1.02 N ATOM 697 CZ ARG A 50 8.789 8.822 6.239 1.00 11.31 C ATOM 698 NH1 ARG A 50 9.549 7.860 6.751 1.00 60.21 N ATOM 699 NH2 ARG A 50 8.895 10.053 6.724 1.00 53.14 N ATOM 0 H ARG A 50 6.062 7.466 0.202 1.00 21.33 H new ATOM 0 HA ARG A 50 8.190 6.228 1.856 1.00 75.43 H new ATOM 0 HB2 ARG A 50 5.199 6.200 2.380 1.00 43.44 H new ATOM 0 HB3 ARG A 50 6.406 5.281 3.257 1.00 43.44 H new ATOM 0 HG2 ARG A 50 6.328 8.320 3.188 1.00 55.31 H new ATOM 0 HG3 ARG A 50 5.553 7.354 4.428 1.00 55.31 H new ATOM 0 HD2 ARG A 50 7.685 6.499 5.218 1.00 20.44 H new ATOM 0 HD3 ARG A 50 8.536 7.154 3.834 1.00 20.44 H new ATOM 0 HE ARG A 50 7.346 9.381 4.960 1.00 1.02 H new ATOM 0 HH11 ARG A 50 9.483 6.910 6.387 1.00 60.21 H new ATOM 0 HH12 ARG A 50 10.199 8.072 7.508 1.00 60.21 H new ATOM 0 HH21 ARG A 50 8.322 10.804 6.339 1.00 53.14 H new ATOM 0 HH22 ARG A 50 9.550 10.248 7.481 1.00 53.14 H new ATOM 710 N LEU A 51 7.126 3.860 1.070 1.00 14.15 N ATOM 711 CA LEU A 51 6.672 2.634 0.426 1.00 24.11 C ATOM 712 C LEU A 51 6.396 1.615 1.504 1.00 13.22 C ATOM 713 O LEU A 51 7.178 1.538 2.453 1.00 43.40 O ATOM 714 CB LEU A 51 7.744 2.048 -0.500 1.00 43.54 C ATOM 715 CG LEU A 51 7.232 1.934 -1.935 1.00 1.51 C ATOM 716 CD1 LEU A 51 8.408 1.503 -2.784 1.00 41.44 C ATOM 717 CD2 LEU A 51 6.121 0.893 -2.139 1.00 20.25 C ATOM 0 H LEU A 51 7.637 3.702 1.938 1.00 14.15 H new ATOM 0 HA LEU A 51 5.786 2.866 -0.165 1.00 24.11 H new ATOM 0 HB2 LEU A 51 8.632 2.679 -0.477 1.00 43.54 H new ATOM 0 HB3 LEU A 51 8.042 1.064 -0.138 1.00 43.54 H new ATOM 0 HG LEU A 51 6.808 2.902 -2.202 1.00 1.51 H new ATOM 0 HD11 LEU A 51 8.091 1.407 -3.823 1.00 41.44 H new ATOM 0 HD12 LEU A 51 9.200 2.248 -2.713 1.00 41.44 H new ATOM 0 HD13 LEU A 51 8.781 0.542 -2.428 1.00 41.44 H new ATOM 0 HD21 LEU A 51 5.820 0.882 -3.187 1.00 20.25 H new ATOM 0 HD22 LEU A 51 6.490 -0.093 -1.857 1.00 20.25 H new ATOM 0 HD23 LEU A 51 5.263 1.150 -1.518 1.00 20.25 H new ATOM 728 N PHE A 52 5.357 0.803 1.319 1.00 12.31 N ATOM 729 CA PHE A 52 5.166 -0.396 2.125 1.00 31.32 C ATOM 730 C PHE A 52 4.719 -1.556 1.238 1.00 74.24 C ATOM 731 O PHE A 52 3.838 -1.408 0.386 1.00 60.00 O ATOM 732 CB PHE A 52 4.167 -0.153 3.269 1.00 34.24 C ATOM 733 CG PHE A 52 4.423 1.101 4.089 1.00 22.51 C ATOM 734 CD1 PHE A 52 5.507 1.149 4.984 1.00 52.21 C ATOM 735 CD2 PHE A 52 3.617 2.241 3.913 1.00 73.34 C ATOM 736 CE1 PHE A 52 5.823 2.350 5.648 1.00 0.44 C ATOM 737 CE2 PHE A 52 3.945 3.447 4.566 1.00 2.04 C ATOM 738 CZ PHE A 52 5.050 3.504 5.432 1.00 1.34 C ATOM 0 H PHE A 52 4.634 0.956 0.616 1.00 12.31 H new ATOM 0 HA PHE A 52 6.120 -0.656 2.584 1.00 31.32 H new ATOM 0 HB2 PHE A 52 3.163 -0.095 2.849 1.00 34.24 H new ATOM 0 HB3 PHE A 52 4.184 -1.015 3.936 1.00 34.24 H new ATOM 0 HD1 PHE A 52 6.098 0.263 5.162 1.00 52.21 H new ATOM 0 HD2 PHE A 52 2.746 2.192 3.277 1.00 73.34 H new ATOM 0 HE1 PHE A 52 6.663 2.385 6.326 1.00 0.44 H new ATOM 0 HE2 PHE A 52 3.345 4.330 4.400 1.00 2.04 H new ATOM 0 HZ PHE A 52 5.304 4.429 5.929 1.00 1.34 H new ATOM 747 N SER A 53 5.310 -2.718 1.493 1.00 64.20 N ATOM 748 CA SER A 53 4.962 -4.015 0.935 1.00 64.43 C ATOM 749 C SER A 53 4.452 -4.890 2.067 1.00 20.25 C ATOM 750 O SER A 53 4.945 -4.768 3.191 1.00 72.11 O ATOM 751 CB SER A 53 6.226 -4.644 0.347 1.00 31.25 C ATOM 752 OG SER A 53 6.188 -4.722 -1.051 1.00 45.11 O ATOM 0 H SER A 53 6.097 -2.780 2.138 1.00 64.20 H new ATOM 0 HA SER A 53 4.202 -3.916 0.160 1.00 64.43 H new ATOM 0 HB2 SER A 53 7.094 -4.059 0.651 1.00 31.25 H new ATOM 0 HB3 SER A 53 6.355 -5.644 0.760 1.00 31.25 H new ATOM 0 HG SER A 53 6.871 -4.131 -1.430 1.00 45.11 H new ATOM 757 N GLU A 54 3.485 -5.759 1.778 1.00 64.43 N ATOM 758 CA GLU A 54 3.126 -6.801 2.713 1.00 42.24 C ATOM 759 C GLU A 54 4.223 -7.869 2.693 1.00 44.22 C ATOM 760 O GLU A 54 4.961 -8.014 1.713 1.00 62.20 O ATOM 761 CB GLU A 54 1.716 -7.339 2.433 1.00 63.33 C ATOM 762 CG GLU A 54 1.586 -8.165 1.154 1.00 62.25 C ATOM 763 CD GLU A 54 0.201 -8.813 1.073 1.00 33.21 C ATOM 764 OE1 GLU A 54 -0.759 -8.117 0.686 1.00 43.23 O ATOM 765 OE2 GLU A 54 0.049 -10.006 1.421 1.00 40.12 O ATOM 0 H GLU A 54 2.947 -5.756 0.912 1.00 64.43 H new ATOM 0 HA GLU A 54 3.070 -6.407 3.728 1.00 42.24 H new ATOM 0 HB2 GLU A 54 1.402 -7.952 3.278 1.00 63.33 H new ATOM 0 HB3 GLU A 54 1.026 -6.497 2.376 1.00 63.33 H new ATOM 0 HG2 GLU A 54 1.747 -7.528 0.285 1.00 62.25 H new ATOM 0 HG3 GLU A 54 2.357 -8.936 1.132 1.00 62.25 H new ATOM 770 N ALA A 55 4.326 -8.615 3.785 1.00 12.22 N ATOM 771 CA ALA A 55 5.172 -9.779 3.948 1.00 63.03 C ATOM 772 C ALA A 55 4.558 -10.652 5.030 1.00 22.55 C ATOM 773 O ALA A 55 3.786 -10.153 5.849 1.00 44.40 O ATOM 774 CB ALA A 55 6.559 -9.327 4.396 1.00 32.15 C ATOM 0 H ALA A 55 3.788 -8.408 4.627 1.00 12.22 H new ATOM 0 HA ALA A 55 5.255 -10.330 3.011 1.00 63.03 H new ATOM 0 HB1 ALA A 55 7.203 -10.198 4.521 1.00 32.15 H new ATOM 0 HB2 ALA A 55 6.987 -8.665 3.643 1.00 32.15 H new ATOM 0 HB3 ALA A 55 6.480 -8.795 5.344 1.00 32.15 H new ATOM 780 N THR A 56 4.958 -11.918 5.099 1.00 2.11 N ATOM 781 CA THR A 56 4.533 -12.847 6.131 1.00 21.13 C ATOM 782 C THR A 56 5.736 -13.429 6.854 1.00 62.31 C ATOM 783 O THR A 56 6.878 -13.342 6.394 1.00 24.51 O ATOM 784 CB THR A 56 3.614 -13.944 5.567 1.00 60.10 C ATOM 785 OG1 THR A 56 3.926 -14.293 4.228 1.00 75.10 O ATOM 786 CG2 THR A 56 2.158 -13.498 5.654 1.00 34.30 C ATOM 0 H THR A 56 5.600 -12.332 4.423 1.00 2.11 H new ATOM 0 HA THR A 56 3.942 -12.293 6.861 1.00 21.13 H new ATOM 0 HB THR A 56 3.775 -14.833 6.176 1.00 60.10 H new ATOM 0 HG1 THR A 56 3.314 -14.994 3.921 1.00 75.10 H new ATOM 0 HG21 THR A 56 1.513 -14.280 5.253 1.00 34.30 H new ATOM 0 HG22 THR A 56 1.896 -13.311 6.695 1.00 34.30 H new ATOM 0 HG23 THR A 56 2.022 -12.584 5.076 1.00 34.30 H new ATOM 794 N ARG A 57 5.471 -14.003 8.024 1.00 64.34 N ATOM 795 CA ARG A 57 6.472 -14.525 8.952 1.00 23.12 C ATOM 796 C ARG A 57 6.419 -16.040 9.043 1.00 0.41 C ATOM 797 O ARG A 57 5.592 -16.669 8.384 1.00 33.12 O ATOM 798 CB ARG A 57 6.315 -13.795 10.296 1.00 63.33 C ATOM 799 CG ARG A 57 6.727 -12.338 10.059 1.00 14.14 C ATOM 800 CD ARG A 57 6.939 -11.523 11.323 1.00 44.21 C ATOM 801 NE ARG A 57 7.777 -10.354 10.988 1.00 61.34 N ATOM 802 CZ ARG A 57 8.646 -9.741 11.796 1.00 32.54 C ATOM 803 NH1 ARG A 57 8.599 -9.963 13.102 1.00 1.31 N ATOM 804 NH2 ARG A 57 9.546 -8.903 11.296 1.00 75.44 N ATOM 0 H ARG A 57 4.517 -14.122 8.366 1.00 64.34 H new ATOM 0 HA ARG A 57 7.478 -14.322 8.586 1.00 23.12 H new ATOM 0 HB2 ARG A 57 5.286 -13.853 10.650 1.00 63.33 H new ATOM 0 HB3 ARG A 57 6.941 -14.254 11.061 1.00 63.33 H new ATOM 0 HG2 ARG A 57 7.648 -12.326 9.477 1.00 14.14 H new ATOM 0 HG3 ARG A 57 5.961 -11.852 9.454 1.00 14.14 H new ATOM 0 HD2 ARG A 57 5.981 -11.199 11.731 1.00 44.21 H new ATOM 0 HD3 ARG A 57 7.423 -12.129 12.089 1.00 44.21 H new ATOM 0 HE ARG A 57 7.683 -9.977 10.045 1.00 61.34 H new ATOM 0 HH11 ARG A 57 7.901 -10.600 13.486 1.00 1.31 H new ATOM 0 HH12 ARG A 57 9.261 -9.497 13.723 1.00 1.31 H new ATOM 0 HH21 ARG A 57 9.575 -8.726 10.292 1.00 75.44 H new ATOM 0 HH22 ARG A 57 10.208 -8.436 11.916 1.00 75.44 H new ATOM 815 N GLY A 58 7.292 -16.639 9.853 1.00 4.15 N ATOM 816 CA GLY A 58 7.325 -18.078 10.098 1.00 51.01 C ATOM 817 C GLY A 58 6.040 -18.601 10.737 1.00 42.20 C ATOM 818 O GLY A 58 5.836 -19.815 10.790 1.00 44.40 O ATOM 0 H GLY A 58 8.009 -16.126 10.366 1.00 4.15 H new ATOM 0 HA2 GLY A 58 7.494 -18.598 9.155 1.00 51.01 H new ATOM 0 HA3 GLY A 58 8.169 -18.312 10.747 1.00 51.01 H new ATOM 822 N ASP A 59 5.164 -17.708 11.211 1.00 31.52 N ATOM 823 CA ASP A 59 3.832 -18.074 11.683 1.00 41.35 C ATOM 824 C ASP A 59 2.713 -17.505 10.807 1.00 44.22 C ATOM 825 O ASP A 59 1.550 -17.515 11.202 1.00 61.34 O ATOM 826 CB ASP A 59 3.671 -17.719 13.161 1.00 35.13 C ATOM 827 CG ASP A 59 2.583 -18.573 13.813 1.00 14.24 C ATOM 828 OD1 ASP A 59 2.685 -19.818 13.700 1.00 24.10 O ATOM 829 OD2 ASP A 59 1.691 -18.012 14.494 1.00 20.54 O ATOM 0 H ASP A 59 5.363 -16.710 11.277 1.00 31.52 H new ATOM 0 HA ASP A 59 3.736 -19.156 11.593 1.00 41.35 H new ATOM 0 HB2 ASP A 59 4.617 -17.870 13.680 1.00 35.13 H new ATOM 0 HB3 ASP A 59 3.418 -16.663 13.260 1.00 35.13 H new ATOM 833 N GLY A 60 3.029 -17.006 9.606 1.00 64.51 N ATOM 834 CA GLY A 60 2.057 -16.400 8.695 1.00 43.14 C ATOM 835 C GLY A 60 1.568 -15.035 9.174 1.00 44.14 C ATOM 836 O GLY A 60 0.607 -14.505 8.621 1.00 20.52 O ATOM 0 H GLY A 60 3.980 -17.013 9.237 1.00 64.51 H new ATOM 0 HA2 GLY A 60 2.508 -16.294 7.708 1.00 43.14 H new ATOM 0 HA3 GLY A 60 1.203 -17.069 8.585 1.00 43.14 H new ATOM 840 N GLU A 61 2.226 -14.463 10.185 1.00 20.40 N ATOM 841 CA GLU A 61 1.917 -13.142 10.701 1.00 53.01 C ATOM 842 C GLU A 61 2.261 -12.147 9.605 1.00 40.11 C ATOM 843 O GLU A 61 3.406 -12.132 9.141 1.00 42.02 O ATOM 844 CB GLU A 61 2.755 -12.867 11.959 1.00 42.42 C ATOM 845 CG GLU A 61 2.047 -11.898 12.911 1.00 3.43 C ATOM 846 CD GLU A 61 1.196 -12.667 13.916 1.00 64.11 C ATOM 847 OE1 GLU A 61 1.818 -13.269 14.828 1.00 72.15 O ATOM 848 OE2 GLU A 61 -0.048 -12.697 13.774 1.00 3.30 O ATOM 0 H GLU A 61 2.999 -14.918 10.671 1.00 20.40 H new ATOM 0 HA GLU A 61 0.866 -13.060 10.976 1.00 53.01 H new ATOM 0 HB2 GLU A 61 2.953 -13.806 12.476 1.00 42.42 H new ATOM 0 HB3 GLU A 61 3.721 -12.452 11.670 1.00 42.42 H new ATOM 0 HG2 GLU A 61 2.784 -11.292 13.438 1.00 3.43 H new ATOM 0 HG3 GLU A 61 1.419 -11.213 12.342 1.00 3.43 H new ATOM 853 N ARG A 62 1.278 -11.376 9.149 1.00 15.10 N ATOM 854 CA ARG A 62 1.515 -10.370 8.132 1.00 35.40 C ATOM 855 C ARG A 62 2.181 -9.147 8.769 1.00 64.44 C ATOM 856 O ARG A 62 2.058 -8.931 9.980 1.00 52.31 O ATOM 857 CB ARG A 62 0.190 -10.067 7.416 1.00 71.11 C ATOM 858 CG ARG A 62 0.414 -9.357 6.067 1.00 53.32 C ATOM 859 CD ARG A 62 -0.567 -9.804 4.980 1.00 54.42 C ATOM 860 NE ARG A 62 -1.966 -9.391 5.173 1.00 74.24 N ATOM 861 CZ ARG A 62 -2.947 -9.749 4.329 1.00 71.13 C ATOM 862 NH1 ARG A 62 -2.668 -10.477 3.249 1.00 51.21 N ATOM 863 NH2 ARG A 62 -4.206 -9.387 4.556 1.00 15.10 N ATOM 0 H ARG A 62 0.312 -11.433 9.471 1.00 15.10 H new ATOM 0 HA ARG A 62 2.208 -10.724 7.369 1.00 35.40 H new ATOM 0 HB2 ARG A 62 -0.354 -10.997 7.251 1.00 71.11 H new ATOM 0 HB3 ARG A 62 -0.434 -9.442 8.056 1.00 71.11 H new ATOM 0 HG2 ARG A 62 0.321 -8.280 6.211 1.00 53.32 H new ATOM 0 HG3 ARG A 62 1.433 -9.547 5.729 1.00 53.32 H new ATOM 0 HD2 ARG A 62 -0.221 -9.415 4.022 1.00 54.42 H new ATOM 0 HD3 ARG A 62 -0.535 -10.891 4.912 1.00 54.42 H new ATOM 0 HE ARG A 62 -2.199 -8.811 5.979 1.00 74.24 H new ATOM 0 HH11 ARG A 62 -1.707 -10.764 3.062 1.00 51.21 H new ATOM 0 HH12 ARG A 62 -3.415 -10.748 2.609 1.00 51.21 H new ATOM 0 HH21 ARG A 62 -4.436 -8.831 5.379 1.00 15.10 H new ATOM 0 HH22 ARG A 62 -4.942 -9.666 3.907 1.00 15.10 H new ATOM 874 N PHE A 63 2.917 -8.364 7.987 1.00 35.21 N ATOM 875 CA PHE A 63 3.469 -7.076 8.385 1.00 2.04 C ATOM 876 C PHE A 63 3.685 -6.228 7.138 1.00 20.12 C ATOM 877 O PHE A 63 3.755 -6.759 6.027 1.00 44.32 O ATOM 878 CB PHE A 63 4.776 -7.230 9.191 1.00 11.40 C ATOM 879 CG PHE A 63 5.968 -7.937 8.551 1.00 74.50 C ATOM 880 CD1 PHE A 63 5.920 -9.311 8.237 1.00 44.44 C ATOM 881 CD2 PHE A 63 7.182 -7.242 8.363 1.00 23.33 C ATOM 882 CE1 PHE A 63 7.060 -9.969 7.740 1.00 12.01 C ATOM 883 CE2 PHE A 63 8.334 -7.917 7.920 1.00 1.33 C ATOM 884 CZ PHE A 63 8.274 -9.280 7.596 1.00 53.13 C ATOM 0 H PHE A 63 3.153 -8.618 7.028 1.00 35.21 H new ATOM 0 HA PHE A 63 2.760 -6.579 9.047 1.00 2.04 H new ATOM 0 HB2 PHE A 63 5.103 -6.231 9.479 1.00 11.40 H new ATOM 0 HB3 PHE A 63 4.533 -7.763 10.110 1.00 11.40 H new ATOM 0 HD1 PHE A 63 5.002 -9.862 8.379 1.00 44.44 H new ATOM 0 HD2 PHE A 63 7.227 -6.181 8.561 1.00 23.33 H new ATOM 0 HE1 PHE A 63 7.000 -11.012 7.467 1.00 12.01 H new ATOM 0 HE2 PHE A 63 9.268 -7.383 7.829 1.00 1.33 H new ATOM 0 HZ PHE A 63 9.154 -9.795 7.239 1.00 53.13 H new ATOM 893 N TRP A 64 3.829 -4.918 7.330 1.00 52.24 N ATOM 894 CA TRP A 64 4.132 -3.962 6.280 1.00 20.52 C ATOM 895 C TRP A 64 5.611 -3.600 6.367 1.00 60.50 C ATOM 896 O TRP A 64 5.989 -2.766 7.188 1.00 0.44 O ATOM 897 CB TRP A 64 3.222 -2.740 6.426 1.00 12.20 C ATOM 898 CG TRP A 64 1.795 -2.993 6.060 1.00 24.24 C ATOM 899 CD1 TRP A 64 0.762 -3.111 6.921 1.00 4.00 C ATOM 900 CD2 TRP A 64 1.236 -3.207 4.732 1.00 61.45 C ATOM 901 NE1 TRP A 64 -0.399 -3.373 6.216 1.00 44.15 N ATOM 902 CE2 TRP A 64 -0.164 -3.437 4.860 1.00 63.23 C ATOM 903 CE3 TRP A 64 1.779 -3.239 3.432 1.00 22.11 C ATOM 904 CZ2 TRP A 64 -0.982 -3.685 3.749 1.00 35.33 C ATOM 905 CZ3 TRP A 64 0.977 -3.522 2.313 1.00 34.14 C ATOM 906 CH2 TRP A 64 -0.400 -3.754 2.473 1.00 53.53 C ATOM 0 H TRP A 64 3.734 -4.485 8.249 1.00 52.24 H new ATOM 0 HA TRP A 64 3.944 -4.387 5.294 1.00 20.52 H new ATOM 0 HB2 TRP A 64 3.265 -2.390 7.457 1.00 12.20 H new ATOM 0 HB3 TRP A 64 3.609 -1.936 5.800 1.00 12.20 H new ATOM 0 HD1 TRP A 64 0.831 -3.016 7.995 1.00 4.00 H new ATOM 0 HE1 TRP A 64 -1.315 -3.503 6.646 1.00 44.15 H new ATOM 0 HE3 TRP A 64 2.832 -3.042 3.293 1.00 22.11 H new ATOM 0 HZ2 TRP A 64 -2.046 -3.821 3.873 1.00 35.33 H new ATOM 0 HZ3 TRP A 64 1.420 -3.561 1.329 1.00 34.14 H new ATOM 0 HH2 TRP A 64 -1.011 -3.986 1.613 1.00 53.53 H new ATOM 916 N MET A 65 6.468 -4.242 5.576 1.00 41.44 N ATOM 917 CA MET A 65 7.890 -3.919 5.542 1.00 74.22 C ATOM 918 C MET A 65 8.209 -2.906 4.447 1.00 51.12 C ATOM 919 O MET A 65 7.359 -2.589 3.609 1.00 61.21 O ATOM 920 CB MET A 65 8.729 -5.190 5.417 1.00 3.35 C ATOM 921 CG MET A 65 8.683 -5.858 4.037 1.00 15.14 C ATOM 922 SD MET A 65 9.385 -7.527 3.893 1.00 22.22 S ATOM 923 CE MET A 65 10.816 -7.439 4.987 1.00 15.12 C ATOM 0 H MET A 65 6.197 -4.996 4.945 1.00 41.44 H new ATOM 0 HA MET A 65 8.154 -3.445 6.487 1.00 74.22 H new ATOM 0 HB2 MET A 65 9.765 -4.949 5.654 1.00 3.35 H new ATOM 0 HB3 MET A 65 8.389 -5.908 6.164 1.00 3.35 H new ATOM 0 HG2 MET A 65 7.641 -5.902 3.719 1.00 15.14 H new ATOM 0 HG3 MET A 65 9.205 -5.211 3.332 1.00 15.14 H new ATOM 0 HE1 MET A 65 11.392 -8.361 4.907 1.00 15.12 H new ATOM 0 HE2 MET A 65 11.442 -6.594 4.701 1.00 15.12 H new ATOM 0 HE3 MET A 65 10.480 -7.310 6.016 1.00 15.12 H new ATOM 931 N GLN A 66 9.453 -2.421 4.428 1.00 73.14 N ATOM 932 CA GLN A 66 9.913 -1.429 3.469 1.00 3.33 C ATOM 933 C GLN A 66 11.078 -1.963 2.623 1.00 3.11 C ATOM 934 O GLN A 66 12.233 -1.650 2.911 1.00 11.13 O ATOM 935 CB GLN A 66 10.264 -0.095 4.143 1.00 23.24 C ATOM 936 CG GLN A 66 9.164 0.456 5.060 1.00 53.32 C ATOM 937 CD GLN A 66 9.480 1.853 5.569 1.00 40.20 C ATOM 938 OE1 GLN A 66 10.004 2.720 4.731 1.00 34.34 O flip ATOM 939 NE2 GLN A 66 9.269 2.196 6.730 1.00 13.03 N flip ATOM 0 H GLN A 66 10.173 -2.713 5.088 1.00 73.14 H new ATOM 0 HA GLN A 66 9.083 -1.230 2.792 1.00 3.33 H new ATOM 0 HB2 GLN A 66 11.176 -0.224 4.726 1.00 23.24 H new ATOM 0 HB3 GLN A 66 10.481 0.643 3.371 1.00 23.24 H new ATOM 0 HG2 GLN A 66 8.219 0.475 4.518 1.00 53.32 H new ATOM 0 HG3 GLN A 66 9.032 -0.216 5.908 1.00 53.32 H new ATOM 0 HE21 GLN A 66 8.863 1.534 7.391 1.00 13.03 H new ATOM 0 HE22 GLN A 66 9.500 3.142 7.032 1.00 13.03 H new ATOM 946 N PRO A 67 10.815 -2.731 1.551 1.00 35.45 N ATOM 947 CA PRO A 67 11.851 -3.380 0.740 1.00 62.12 C ATOM 948 C PRO A 67 12.783 -2.435 -0.034 1.00 45.00 C ATOM 949 O PRO A 67 13.733 -2.887 -0.671 1.00 25.54 O ATOM 950 CB PRO A 67 11.104 -4.349 -0.180 1.00 65.24 C ATOM 951 CG PRO A 67 9.698 -3.774 -0.259 1.00 2.21 C ATOM 952 CD PRO A 67 9.497 -3.159 1.119 1.00 42.43 C ATOM 0 HA PRO A 67 12.554 -3.888 1.400 1.00 62.12 H new ATOM 0 HB2 PRO A 67 11.569 -4.403 -1.164 1.00 65.24 H new ATOM 0 HB3 PRO A 67 11.099 -5.361 0.226 1.00 65.24 H new ATOM 0 HG2 PRO A 67 9.611 -3.028 -1.049 1.00 2.21 H new ATOM 0 HG3 PRO A 67 8.958 -4.547 -0.467 1.00 2.21 H new ATOM 0 HD2 PRO A 67 8.806 -2.317 1.076 1.00 42.43 H new ATOM 0 HD3 PRO A 67 9.073 -3.884 1.814 1.00 42.43 H new ATOM 957 N VAL A 68 12.551 -1.129 0.030 1.00 74.12 N ATOM 958 CA VAL A 68 13.414 -0.073 -0.450 1.00 33.51 C ATOM 959 C VAL A 68 13.536 0.977 0.650 1.00 53.20 C ATOM 960 O VAL A 68 12.660 1.828 0.835 1.00 54.44 O ATOM 961 CB VAL A 68 12.928 0.392 -1.835 1.00 22.22 C ATOM 962 CG1 VAL A 68 11.413 0.567 -1.968 1.00 23.33 C ATOM 963 CG2 VAL A 68 13.586 1.716 -2.253 1.00 30.42 C ATOM 0 H VAL A 68 11.696 -0.763 0.448 1.00 74.12 H new ATOM 0 HA VAL A 68 14.439 -0.393 -0.639 1.00 33.51 H new ATOM 0 HB VAL A 68 13.226 -0.426 -2.491 1.00 22.22 H new ATOM 0 HG11 VAL A 68 11.172 0.896 -2.979 1.00 23.33 H new ATOM 0 HG12 VAL A 68 10.918 -0.383 -1.768 1.00 23.33 H new ATOM 0 HG13 VAL A 68 11.069 1.313 -1.252 1.00 23.33 H new ATOM 0 HG21 VAL A 68 13.218 2.011 -3.236 1.00 30.42 H new ATOM 0 HG22 VAL A 68 13.340 2.490 -1.526 1.00 30.42 H new ATOM 0 HG23 VAL A 68 14.668 1.588 -2.295 1.00 30.42 H new ATOM 973 N ARG A 69 14.632 0.918 1.412 1.00 61.51 N ATOM 974 CA ARG A 69 14.975 1.918 2.423 1.00 34.23 C ATOM 975 C ARG A 69 15.609 3.155 1.767 1.00 74.54 C ATOM 976 O ARG A 69 16.611 3.678 2.252 1.00 10.04 O ATOM 977 CB ARG A 69 15.885 1.295 3.495 1.00 3.22 C ATOM 978 CG ARG A 69 15.838 2.108 4.805 1.00 22.14 C ATOM 979 CD ARG A 69 14.750 1.572 5.743 1.00 53.30 C ATOM 980 NE ARG A 69 14.768 2.174 7.093 1.00 72.33 N ATOM 981 CZ ARG A 69 15.626 1.830 8.069 1.00 71.40 C ATOM 982 NH1 ARG A 69 16.762 1.203 7.795 1.00 23.14 N ATOM 983 NH2 ARG A 69 15.369 2.107 9.338 1.00 51.22 N ATOM 0 H ARG A 69 15.314 0.163 1.342 1.00 61.51 H new ATOM 0 HA ARG A 69 14.065 2.254 2.921 1.00 34.23 H new ATOM 0 HB2 ARG A 69 15.573 0.269 3.689 1.00 3.22 H new ATOM 0 HB3 ARG A 69 16.910 1.253 3.126 1.00 3.22 H new ATOM 0 HG2 ARG A 69 16.807 2.061 5.302 1.00 22.14 H new ATOM 0 HG3 ARG A 69 15.645 3.157 4.580 1.00 22.14 H new ATOM 0 HD2 ARG A 69 13.775 1.750 5.290 1.00 53.30 H new ATOM 0 HD3 ARG A 69 14.865 0.492 5.837 1.00 53.30 H new ATOM 0 HE ARG A 69 14.082 2.901 7.298 1.00 72.33 H new ATOM 0 HH11 ARG A 69 16.998 0.973 6.830 1.00 23.14 H new ATOM 0 HH12 ARG A 69 17.400 0.950 8.550 1.00 23.14 H new ATOM 0 HH21 ARG A 69 14.507 2.590 9.590 1.00 51.22 H new ATOM 0 HH22 ARG A 69 16.033 1.837 10.064 1.00 51.22 H new ATOM 994 N SER A 70 15.038 3.636 0.668 1.00 50.12 N ATOM 995 CA SER A 70 15.477 4.828 -0.035 1.00 30.24 C ATOM 996 C SER A 70 14.379 5.884 0.085 1.00 2.15 C ATOM 997 O SER A 70 13.287 5.623 0.603 1.00 75.50 O ATOM 998 CB SER A 70 15.825 4.456 -1.486 1.00 52.03 C ATOM 999 OG SER A 70 16.422 5.537 -2.171 1.00 34.44 O ATOM 0 H SER A 70 14.231 3.190 0.231 1.00 50.12 H new ATOM 0 HA SER A 70 16.383 5.252 0.399 1.00 30.24 H new ATOM 0 HB2 SER A 70 16.503 3.603 -1.491 1.00 52.03 H new ATOM 0 HB3 SER A 70 14.920 4.147 -2.010 1.00 52.03 H new ATOM 0 HG SER A 70 16.632 5.267 -3.089 1.00 34.44 H new ATOM 1004 N THR A 71 14.676 7.079 -0.407 1.00 53.13 N ATOM 1005 CA THR A 71 13.784 8.231 -0.450 1.00 23.54 C ATOM 1006 C THR A 71 13.762 8.834 -1.871 1.00 65.44 C ATOM 1007 O THR A 71 13.066 9.820 -2.086 1.00 53.24 O ATOM 1008 CB THR A 71 14.087 9.160 0.739 1.00 62.32 C ATOM 1009 OG1 THR A 71 13.110 10.149 1.052 1.00 11.02 O ATOM 1010 CG2 THR A 71 15.424 9.809 0.497 1.00 23.53 C ATOM 0 H THR A 71 15.592 7.282 -0.807 1.00 53.13 H new ATOM 0 HA THR A 71 12.739 7.963 -0.294 1.00 23.54 H new ATOM 0 HB THR A 71 14.080 8.517 1.619 1.00 62.32 H new ATOM 0 HG1 THR A 71 13.412 10.674 1.822 1.00 11.02 H new ATOM 0 HG21 THR A 71 15.662 10.474 1.328 1.00 23.53 H new ATOM 0 HG22 THR A 71 16.192 9.040 0.416 1.00 23.53 H new ATOM 0 HG23 THR A 71 15.387 10.384 -0.428 1.00 23.53 H new ATOM 1018 N PHE A 72 14.488 8.261 -2.842 1.00 70.22 N ATOM 1019 CA PHE A 72 14.429 8.686 -4.237 1.00 72.41 C ATOM 1020 C PHE A 72 13.018 8.446 -4.777 1.00 32.22 C ATOM 1021 O PHE A 72 12.529 7.314 -4.760 1.00 11.44 O ATOM 1022 CB PHE A 72 15.478 7.935 -5.071 1.00 71.12 C ATOM 1023 CG PHE A 72 16.857 8.564 -5.026 1.00 30.11 C ATOM 1024 CD1 PHE A 72 17.743 8.276 -3.972 1.00 42.01 C ATOM 1025 CD2 PHE A 72 17.253 9.457 -6.038 1.00 31.13 C ATOM 1026 CE1 PHE A 72 19.012 8.876 -3.933 1.00 42.02 C ATOM 1027 CE2 PHE A 72 18.514 10.079 -5.985 1.00 33.25 C ATOM 1028 CZ PHE A 72 19.395 9.790 -4.930 1.00 43.11 C ATOM 0 H PHE A 72 15.133 7.488 -2.675 1.00 70.22 H new ATOM 0 HA PHE A 72 14.655 9.750 -4.305 1.00 72.41 H new ATOM 0 HB2 PHE A 72 15.545 6.907 -4.714 1.00 71.12 H new ATOM 0 HB3 PHE A 72 15.142 7.891 -6.107 1.00 71.12 H new ATOM 0 HD1 PHE A 72 17.446 7.592 -3.191 1.00 42.01 H new ATOM 0 HD2 PHE A 72 16.585 9.666 -6.861 1.00 31.13 H new ATOM 0 HE1 PHE A 72 19.697 8.634 -3.134 1.00 42.02 H new ATOM 0 HE2 PHE A 72 18.804 10.778 -6.755 1.00 33.25 H new ATOM 0 HZ PHE A 72 20.362 10.268 -4.885 1.00 43.11 H new ATOM 1037 N GLU A 73 12.383 9.510 -5.265 1.00 30.44 N ATOM 1038 CA GLU A 73 11.027 9.509 -5.816 1.00 31.03 C ATOM 1039 C GLU A 73 10.873 8.404 -6.875 1.00 53.41 C ATOM 1040 O GLU A 73 10.042 7.514 -6.681 1.00 72.13 O ATOM 1041 CB GLU A 73 10.595 10.891 -6.371 1.00 22.32 C ATOM 1042 CG GLU A 73 11.303 12.121 -5.789 1.00 71.44 C ATOM 1043 CD GLU A 73 12.688 12.342 -6.414 1.00 5.21 C ATOM 1044 OE1 GLU A 73 12.770 12.775 -7.589 1.00 3.55 O ATOM 1045 OE2 GLU A 73 13.703 12.019 -5.751 1.00 64.33 O ATOM 0 H GLU A 73 12.815 10.434 -5.289 1.00 30.44 H new ATOM 0 HA GLU A 73 10.351 9.295 -4.989 1.00 31.03 H new ATOM 0 HB2 GLU A 73 10.751 10.888 -7.450 1.00 22.32 H new ATOM 0 HB3 GLU A 73 9.524 11.005 -6.204 1.00 22.32 H new ATOM 0 HG2 GLU A 73 10.687 13.005 -5.954 1.00 71.44 H new ATOM 0 HG3 GLU A 73 11.408 12.002 -4.711 1.00 71.44 H new ATOM 1050 N PRO A 74 11.691 8.369 -7.951 1.00 50.11 N ATOM 1051 CA PRO A 74 11.556 7.361 -8.995 1.00 2.11 C ATOM 1052 C PRO A 74 12.081 5.979 -8.577 1.00 22.44 C ATOM 1053 O PRO A 74 12.199 5.110 -9.435 1.00 70.44 O ATOM 1054 CB PRO A 74 12.313 7.931 -10.198 1.00 24.02 C ATOM 1055 CG PRO A 74 13.447 8.704 -9.540 1.00 30.32 C ATOM 1056 CD PRO A 74 12.757 9.305 -8.319 1.00 25.01 C ATOM 0 HA PRO A 74 10.507 7.175 -9.224 1.00 2.11 H new ATOM 0 HB2 PRO A 74 12.686 7.143 -10.853 1.00 24.02 H new ATOM 0 HB3 PRO A 74 11.680 8.578 -10.806 1.00 24.02 H new ATOM 0 HG2 PRO A 74 14.276 8.053 -9.261 1.00 30.32 H new ATOM 0 HG3 PRO A 74 13.853 9.472 -10.198 1.00 30.32 H new ATOM 0 HD2 PRO A 74 13.462 9.435 -7.498 1.00 25.01 H new ATOM 0 HD3 PRO A 74 12.349 10.290 -8.547 1.00 25.01 H new ATOM 1061 N ASP A 75 12.419 5.732 -7.308 1.00 72.11 N ATOM 1062 CA ASP A 75 12.640 4.377 -6.786 1.00 22.41 C ATOM 1063 C ASP A 75 11.405 3.921 -6.017 1.00 1.21 C ATOM 1064 O ASP A 75 11.000 2.761 -6.119 1.00 41.11 O ATOM 1065 CB ASP A 75 13.891 4.309 -5.893 1.00 71.43 C ATOM 1066 CG ASP A 75 15.051 3.616 -6.598 1.00 21.21 C ATOM 1067 OD1 ASP A 75 15.473 4.058 -7.688 1.00 4.33 O ATOM 1068 OD2 ASP A 75 15.496 2.545 -6.122 1.00 33.04 O ATOM 0 H ASP A 75 12.548 6.466 -6.611 1.00 72.11 H new ATOM 0 HA ASP A 75 12.810 3.707 -7.629 1.00 22.41 H new ATOM 0 HB2 ASP A 75 14.189 5.318 -5.607 1.00 71.43 H new ATOM 0 HB3 ASP A 75 13.653 3.775 -4.973 1.00 71.43 H new ATOM 1072 N LEU A 76 10.794 4.834 -5.258 1.00 51.54 N ATOM 1073 CA LEU A 76 9.576 4.584 -4.500 1.00 71.32 C ATOM 1074 C LEU A 76 8.399 4.390 -5.452 1.00 31.45 C ATOM 1075 O LEU A 76 7.630 3.448 -5.288 1.00 42.54 O ATOM 1076 CB LEU A 76 9.321 5.743 -3.521 1.00 44.13 C ATOM 1077 CG LEU A 76 10.398 5.888 -2.424 1.00 42.02 C ATOM 1078 CD1 LEU A 76 10.154 7.170 -1.629 1.00 60.42 C ATOM 1079 CD2 LEU A 76 10.391 4.718 -1.437 1.00 41.02 C ATOM 0 H LEU A 76 11.144 5.787 -5.154 1.00 51.54 H new ATOM 0 HA LEU A 76 9.691 3.670 -3.918 1.00 71.32 H new ATOM 0 HB2 LEU A 76 9.263 6.674 -4.084 1.00 44.13 H new ATOM 0 HB3 LEU A 76 8.351 5.597 -3.046 1.00 44.13 H new ATOM 0 HG LEU A 76 11.362 5.910 -2.933 1.00 42.02 H new ATOM 0 HD11 LEU A 76 10.916 7.269 -0.856 1.00 60.42 H new ATOM 0 HD12 LEU A 76 10.203 8.028 -2.299 1.00 60.42 H new ATOM 0 HD13 LEU A 76 9.169 7.128 -1.164 1.00 60.42 H new ATOM 0 HD21 LEU A 76 11.167 4.870 -0.687 1.00 41.02 H new ATOM 0 HD22 LEU A 76 9.419 4.661 -0.947 1.00 41.02 H new ATOM 0 HD23 LEU A 76 10.582 3.788 -1.973 1.00 41.02 H new ATOM 1090 N ASP A 77 8.264 5.238 -6.471 1.00 13.52 N ATOM 1091 CA ASP A 77 7.233 5.039 -7.483 1.00 65.21 C ATOM 1092 C ASP A 77 7.544 3.794 -8.299 1.00 3.21 C ATOM 1093 O ASP A 77 6.638 2.998 -8.558 1.00 12.12 O ATOM 1094 CB ASP A 77 7.111 6.241 -8.423 1.00 52.40 C ATOM 1095 CG ASP A 77 6.298 7.396 -7.854 1.00 30.01 C ATOM 1096 OD1 ASP A 77 5.229 7.140 -7.256 1.00 41.11 O ATOM 1097 OD2 ASP A 77 6.708 8.565 -8.050 1.00 21.44 O ATOM 0 H ASP A 77 8.850 6.060 -6.615 1.00 13.52 H new ATOM 0 HA ASP A 77 6.283 4.921 -6.961 1.00 65.21 H new ATOM 0 HB2 ASP A 77 8.111 6.600 -8.667 1.00 52.40 H new ATOM 0 HB3 ASP A 77 6.653 5.914 -9.356 1.00 52.40 H new ATOM 1101 N ALA A 78 8.804 3.614 -8.713 1.00 5.31 N ATOM 1102 CA ALA A 78 9.157 2.539 -9.625 1.00 10.32 C ATOM 1103 C ALA A 78 8.929 1.166 -9.011 1.00 54.23 C ATOM 1104 O ALA A 78 8.489 0.284 -9.740 1.00 10.35 O ATOM 1105 CB ALA A 78 10.600 2.650 -10.099 1.00 11.52 C ATOM 0 H ALA A 78 9.588 4.201 -8.428 1.00 5.31 H new ATOM 0 HA ALA A 78 8.495 2.646 -10.484 1.00 10.32 H new ATOM 0 HB1 ALA A 78 10.824 1.828 -10.779 1.00 11.52 H new ATOM 0 HB2 ALA A 78 10.741 3.598 -10.618 1.00 11.52 H new ATOM 0 HB3 ALA A 78 11.270 2.603 -9.240 1.00 11.52 H new ATOM 1111 N TYR A 79 9.189 0.949 -7.713 1.00 61.42 N ATOM 1112 CA TYR A 79 8.958 -0.361 -7.092 1.00 50.11 C ATOM 1113 C TYR A 79 7.526 -0.822 -7.363 1.00 42.22 C ATOM 1114 O TYR A 79 7.316 -1.968 -7.758 1.00 31.14 O ATOM 1115 CB TYR A 79 9.168 -0.309 -5.576 1.00 23.02 C ATOM 1116 CG TYR A 79 9.153 -1.661 -4.878 1.00 10.23 C ATOM 1117 CD1 TYR A 79 7.939 -2.224 -4.440 1.00 51.52 C ATOM 1118 CD2 TYR A 79 10.353 -2.363 -4.665 1.00 4.33 C ATOM 1119 CE1 TYR A 79 7.919 -3.499 -3.842 1.00 21.12 C ATOM 1120 CE2 TYR A 79 10.343 -3.619 -4.031 1.00 13.34 C ATOM 1121 CZ TYR A 79 9.122 -4.209 -3.635 1.00 42.31 C ATOM 1122 OH TYR A 79 9.132 -5.437 -3.037 1.00 1.33 O ATOM 0 H TYR A 79 9.556 1.658 -7.079 1.00 61.42 H new ATOM 0 HA TYR A 79 9.675 -1.058 -7.527 1.00 50.11 H new ATOM 0 HB2 TYR A 79 10.122 0.177 -5.373 1.00 23.02 H new ATOM 0 HB3 TYR A 79 8.391 0.318 -5.138 1.00 23.02 H new ATOM 0 HD1 TYR A 79 7.017 -1.675 -4.563 1.00 51.52 H new ATOM 0 HD2 TYR A 79 11.289 -1.935 -4.991 1.00 4.33 H new ATOM 0 HE1 TYR A 79 6.979 -3.936 -3.540 1.00 21.12 H new ATOM 0 HE2 TYR A 79 11.274 -4.135 -3.846 1.00 13.34 H new ATOM 0 HH TYR A 79 10.053 -5.767 -2.984 1.00 1.33 H new ATOM 1131 N ALA A 80 6.555 0.080 -7.177 1.00 32.22 N ATOM 1132 CA ALA A 80 5.147 -0.231 -7.327 1.00 13.32 C ATOM 1133 C ALA A 80 4.763 -0.524 -8.776 1.00 44.31 C ATOM 1134 O ALA A 80 3.714 -1.123 -9.011 1.00 63.31 O ATOM 1135 CB ALA A 80 4.315 0.920 -6.756 1.00 45.11 C ATOM 0 H ALA A 80 6.736 1.050 -6.917 1.00 32.22 H new ATOM 0 HA ALA A 80 4.939 -1.145 -6.770 1.00 13.32 H new ATOM 0 HB1 ALA A 80 3.255 0.692 -6.866 1.00 45.11 H new ATOM 0 HB2 ALA A 80 4.551 1.050 -5.700 1.00 45.11 H new ATOM 0 HB3 ALA A 80 4.546 1.839 -7.295 1.00 45.11 H new ATOM 1141 N GLU A 81 5.582 -0.126 -9.750 1.00 42.51 N ATOM 1142 CA GLU A 81 5.435 -0.558 -11.130 1.00 30.02 C ATOM 1143 C GLU A 81 6.125 -1.911 -11.319 1.00 63.14 C ATOM 1144 O GLU A 81 5.556 -2.820 -11.922 1.00 2.33 O ATOM 1145 CB GLU A 81 6.050 0.464 -12.094 1.00 13.11 C ATOM 1146 CG GLU A 81 5.396 1.849 -12.018 1.00 53.30 C ATOM 1147 CD GLU A 81 5.988 2.778 -13.076 1.00 70.13 C ATOM 1148 OE1 GLU A 81 7.231 2.887 -13.169 1.00 41.10 O ATOM 1149 OE2 GLU A 81 5.230 3.332 -13.909 1.00 71.02 O ATOM 0 H GLU A 81 6.367 0.507 -9.598 1.00 42.51 H new ATOM 0 HA GLU A 81 4.371 -0.647 -11.350 1.00 30.02 H new ATOM 0 HB2 GLU A 81 7.114 0.561 -11.877 1.00 13.11 H new ATOM 0 HB3 GLU A 81 5.965 0.087 -13.113 1.00 13.11 H new ATOM 0 HG2 GLU A 81 4.320 1.758 -12.166 1.00 53.30 H new ATOM 0 HG3 GLU A 81 5.546 2.275 -11.026 1.00 53.30 H new ATOM 1154 N ARG A 82 7.371 -2.033 -10.845 1.00 21.24 N ATOM 1155 CA ARG A 82 8.256 -3.167 -11.095 1.00 12.51 C ATOM 1156 C ARG A 82 7.646 -4.432 -10.525 1.00 2.33 C ATOM 1157 O ARG A 82 7.486 -5.402 -11.261 1.00 21.45 O ATOM 1158 CB ARG A 82 9.658 -2.943 -10.489 1.00 14.25 C ATOM 1159 CG ARG A 82 10.390 -1.669 -10.942 1.00 51.52 C ATOM 1160 CD ARG A 82 11.668 -1.928 -11.745 1.00 12.43 C ATOM 1161 NE ARG A 82 12.423 -0.679 -11.964 1.00 33.12 N ATOM 1162 CZ ARG A 82 13.109 -0.001 -11.031 1.00 3.52 C ATOM 1163 NH1 ARG A 82 13.321 -0.517 -9.830 1.00 65.10 N ATOM 1164 NH2 ARG A 82 13.599 1.192 -11.313 1.00 45.32 N ATOM 0 H ARG A 82 7.801 -1.319 -10.258 1.00 21.24 H new ATOM 0 HA ARG A 82 8.371 -3.267 -12.174 1.00 12.51 H new ATOM 0 HB2 ARG A 82 9.563 -2.918 -9.403 1.00 14.25 H new ATOM 0 HB3 ARG A 82 10.281 -3.803 -10.735 1.00 14.25 H new ATOM 0 HG2 ARG A 82 9.710 -1.069 -11.547 1.00 51.52 H new ATOM 0 HG3 ARG A 82 10.641 -1.076 -10.062 1.00 51.52 H new ATOM 0 HD2 ARG A 82 12.294 -2.646 -11.216 1.00 12.43 H new ATOM 0 HD3 ARG A 82 11.413 -2.375 -12.706 1.00 12.43 H new ATOM 0 HE ARG A 82 12.423 -0.297 -12.910 1.00 33.12 H new ATOM 0 HH11 ARG A 82 12.961 -1.444 -9.602 1.00 65.10 H new ATOM 0 HH12 ARG A 82 13.845 0.012 -9.133 1.00 65.10 H new ATOM 0 HH21 ARG A 82 13.456 1.596 -12.238 1.00 45.32 H new ATOM 0 HH22 ARG A 82 14.121 1.709 -10.605 1.00 45.32 H new ATOM 1175 N ALA A 83 7.319 -4.435 -9.231 1.00 4.32 N ATOM 1176 CA ALA A 83 6.794 -5.618 -8.559 1.00 63.40 C ATOM 1177 C ALA A 83 5.533 -6.111 -9.283 1.00 12.41 C ATOM 1178 O ALA A 83 5.400 -7.308 -9.546 1.00 12.13 O ATOM 1179 CB ALA A 83 6.560 -5.309 -7.075 1.00 50.13 C ATOM 0 H ALA A 83 7.411 -3.620 -8.625 1.00 4.32 H new ATOM 0 HA ALA A 83 7.517 -6.433 -8.600 1.00 63.40 H new ATOM 0 HB1 ALA A 83 6.168 -6.195 -6.576 1.00 50.13 H new ATOM 0 HB2 ALA A 83 7.503 -5.019 -6.611 1.00 50.13 H new ATOM 0 HB3 ALA A 83 5.843 -4.493 -6.982 1.00 50.13 H new ATOM 1185 N ALA A 84 4.679 -5.185 -9.736 1.00 45.32 N ATOM 1186 CA ALA A 84 3.409 -5.463 -10.403 1.00 3.34 C ATOM 1187 C ALA A 84 3.560 -6.044 -11.819 1.00 21.31 C ATOM 1188 O ALA A 84 2.566 -6.155 -12.540 1.00 34.03 O ATOM 1189 CB ALA A 84 2.570 -4.176 -10.443 1.00 42.30 C ATOM 0 H ALA A 84 4.864 -4.186 -9.643 1.00 45.32 H new ATOM 0 HA ALA A 84 2.908 -6.236 -9.820 1.00 3.34 H new ATOM 0 HB1 ALA A 84 1.620 -4.376 -10.940 1.00 42.30 H new ATOM 0 HB2 ALA A 84 2.382 -3.832 -9.426 1.00 42.30 H new ATOM 0 HB3 ALA A 84 3.111 -3.406 -10.992 1.00 42.30 H new ATOM 1195 N ARG A 85 4.785 -6.364 -12.250 1.00 65.41 N ATOM 1196 CA ARG A 85 5.094 -6.966 -13.546 1.00 54.20 C ATOM 1197 C ARG A 85 5.735 -8.344 -13.398 1.00 14.15 C ATOM 1198 O ARG A 85 5.997 -8.982 -14.423 1.00 44.11 O ATOM 1199 CB ARG A 85 6.028 -6.029 -14.320 1.00 41.52 C ATOM 1200 CG ARG A 85 5.365 -4.705 -14.706 1.00 10.13 C ATOM 1201 CD ARG A 85 6.467 -3.715 -15.089 1.00 3.45 C ATOM 1202 NE ARG A 85 5.900 -2.456 -15.595 1.00 54.14 N ATOM 1203 CZ ARG A 85 5.583 -2.189 -16.865 1.00 63.04 C ATOM 1204 NH1 ARG A 85 5.824 -3.076 -17.824 1.00 73.03 N ATOM 1205 NH2 ARG A 85 5.033 -1.028 -17.192 1.00 10.52 N ATOM 0 H ARG A 85 5.617 -6.204 -11.683 1.00 65.41 H new ATOM 0 HA ARG A 85 4.161 -7.104 -14.092 1.00 54.20 H new ATOM 0 HB2 ARG A 85 6.910 -5.823 -13.714 1.00 41.52 H new ATOM 0 HB3 ARG A 85 6.372 -6.533 -15.223 1.00 41.52 H new ATOM 0 HG2 ARG A 85 4.679 -4.852 -15.540 1.00 10.13 H new ATOM 0 HG3 ARG A 85 4.777 -4.317 -13.874 1.00 10.13 H new ATOM 0 HD2 ARG A 85 7.094 -3.511 -14.221 1.00 3.45 H new ATOM 0 HD3 ARG A 85 7.110 -4.159 -15.849 1.00 3.45 H new ATOM 0 HE ARG A 85 5.733 -1.717 -14.912 1.00 54.14 H new ATOM 0 HH11 ARG A 85 6.255 -3.971 -17.594 1.00 73.03 H new ATOM 0 HH12 ARG A 85 5.578 -2.862 -18.790 1.00 73.03 H new ATOM 0 HH21 ARG A 85 4.849 -0.330 -16.471 1.00 10.52 H new ATOM 0 HH22 ARG A 85 4.794 -0.833 -18.164 1.00 10.52 H new ATOM 1216 N ILE A 86 6.044 -8.786 -12.179 1.00 43.40 N ATOM 1217 CA ILE A 86 6.467 -10.157 -11.909 1.00 13.15 C ATOM 1218 C ILE A 86 5.387 -10.837 -11.066 1.00 32.24 C ATOM 1219 O ILE A 86 5.107 -12.008 -11.314 1.00 4.55 O ATOM 1220 CB ILE A 86 7.868 -10.246 -11.245 1.00 4.41 C ATOM 1221 CG1 ILE A 86 9.007 -9.497 -11.975 1.00 70.44 C ATOM 1222 CG2 ILE A 86 8.328 -11.717 -11.187 1.00 61.40 C ATOM 1223 CD1 ILE A 86 9.027 -7.986 -11.758 1.00 23.34 C ATOM 0 H ILE A 86 6.007 -8.198 -11.347 1.00 43.40 H new ATOM 0 HA ILE A 86 6.579 -10.680 -12.859 1.00 13.15 H new ATOM 0 HB ILE A 86 7.718 -9.780 -10.271 1.00 4.41 H new ATOM 0 HG12 ILE A 86 9.961 -9.909 -11.647 1.00 70.44 H new ATOM 0 HG13 ILE A 86 8.925 -9.695 -13.044 1.00 70.44 H new ATOM 0 HG21 ILE A 86 9.311 -11.773 -10.720 1.00 61.40 H new ATOM 0 HG22 ILE A 86 7.615 -12.298 -10.602 1.00 61.40 H new ATOM 0 HG23 ILE A 86 8.383 -12.121 -12.198 1.00 61.40 H new ATOM 0 HD11 ILE A 86 9.860 -7.550 -12.309 1.00 23.34 H new ATOM 0 HD12 ILE A 86 8.091 -7.555 -12.114 1.00 23.34 H new ATOM 0 HD13 ILE A 86 9.144 -7.773 -10.695 1.00 23.34 H new ATOM 1234 N ASP A 87 4.772 -10.146 -10.095 1.00 31.24 N ATOM 1235 CA ASP A 87 3.798 -10.799 -9.218 1.00 3.22 C ATOM 1236 C ASP A 87 2.587 -11.248 -10.041 1.00 22.04 C ATOM 1237 O ASP A 87 2.161 -10.509 -10.940 1.00 65.40 O ATOM 1238 CB ASP A 87 3.348 -9.855 -8.089 1.00 23.34 C ATOM 1239 CG ASP A 87 3.791 -10.383 -6.731 1.00 70.11 C ATOM 1240 OD1 ASP A 87 5.014 -10.382 -6.473 1.00 71.03 O ATOM 1241 OD2 ASP A 87 2.933 -10.837 -5.940 1.00 24.03 O ATOM 0 H ASP A 87 4.929 -9.157 -9.902 1.00 31.24 H new ATOM 0 HA ASP A 87 4.272 -11.668 -8.761 1.00 3.22 H new ATOM 0 HB2 ASP A 87 3.766 -8.862 -8.252 1.00 23.34 H new ATOM 0 HB3 ASP A 87 2.263 -9.751 -8.107 1.00 23.34 H new ATOM 1245 N PRO A 88 1.982 -12.399 -9.712 1.00 24.13 N ATOM 1246 CA PRO A 88 0.999 -13.047 -10.570 1.00 70.34 C ATOM 1247 C PRO A 88 -0.313 -12.278 -10.567 1.00 25.22 C ATOM 1248 O PRO A 88 -0.983 -12.204 -11.595 1.00 62.40 O ATOM 1249 CB PRO A 88 0.827 -14.466 -10.015 1.00 14.51 C ATOM 1250 CG PRO A 88 1.275 -14.344 -8.559 1.00 25.02 C ATOM 1251 CD PRO A 88 2.351 -13.275 -8.616 1.00 3.35 C ATOM 0 HA PRO A 88 1.326 -13.074 -11.609 1.00 70.34 H new ATOM 0 HB2 PRO A 88 -0.207 -14.802 -10.089 1.00 14.51 H new ATOM 0 HB3 PRO A 88 1.436 -15.186 -10.562 1.00 14.51 H new ATOM 0 HG2 PRO A 88 0.451 -14.052 -7.907 1.00 25.02 H new ATOM 0 HG3 PRO A 88 1.665 -15.288 -8.177 1.00 25.02 H new ATOM 0 HD2 PRO A 88 2.405 -12.724 -7.677 1.00 3.35 H new ATOM 0 HD3 PRO A 88 3.333 -13.717 -8.783 1.00 3.35 H new ATOM 1256 N ASP A 89 -0.680 -11.686 -9.430 1.00 52.30 N ATOM 1257 CA ASP A 89 -1.789 -10.760 -9.344 1.00 21.45 C ATOM 1258 C ASP A 89 -1.636 -10.002 -8.041 1.00 12.21 C ATOM 1259 O ASP A 89 -1.877 -10.559 -6.968 1.00 50.50 O ATOM 1260 CB ASP A 89 -3.156 -11.471 -9.412 1.00 51.45 C ATOM 1261 CG ASP A 89 -4.043 -10.922 -10.531 1.00 11.23 C ATOM 1262 OD1 ASP A 89 -3.867 -9.749 -10.938 1.00 4.40 O ATOM 1263 OD2 ASP A 89 -4.956 -11.659 -10.963 1.00 71.15 O ATOM 0 H ASP A 89 -0.206 -11.843 -8.540 1.00 52.30 H new ATOM 0 HA ASP A 89 -1.767 -10.082 -10.198 1.00 21.45 H new ATOM 0 HB2 ASP A 89 -3.000 -12.539 -9.566 1.00 51.45 H new ATOM 0 HB3 ASP A 89 -3.669 -11.359 -8.457 1.00 51.45 H new ATOM 1267 N ILE A 90 -1.199 -8.753 -8.114 1.00 24.03 N ATOM 1268 CA ILE A 90 -1.045 -7.878 -6.953 1.00 41.30 C ATOM 1269 C ILE A 90 -1.930 -6.632 -7.111 1.00 31.22 C ATOM 1270 O ILE A 90 -2.240 -6.217 -8.229 1.00 51.32 O ATOM 1271 CB ILE A 90 0.463 -7.620 -6.738 1.00 22.03 C ATOM 1272 CG1 ILE A 90 0.772 -7.061 -5.339 1.00 21.03 C ATOM 1273 CG2 ILE A 90 1.075 -6.765 -7.860 1.00 30.04 C ATOM 1274 CD1 ILE A 90 2.262 -7.086 -4.978 1.00 13.14 C ATOM 0 H ILE A 90 -0.936 -8.309 -8.994 1.00 24.03 H new ATOM 0 HA ILE A 90 -1.403 -8.339 -6.032 1.00 41.30 H new ATOM 0 HB ILE A 90 0.951 -8.593 -6.791 1.00 22.03 H new ATOM 0 HG12 ILE A 90 0.411 -6.034 -5.280 1.00 21.03 H new ATOM 0 HG13 ILE A 90 0.218 -7.637 -4.597 1.00 21.03 H new ATOM 0 HG21 ILE A 90 2.136 -6.612 -7.663 1.00 30.04 H new ATOM 0 HG22 ILE A 90 0.953 -7.276 -8.815 1.00 30.04 H new ATOM 0 HG23 ILE A 90 0.570 -5.800 -7.899 1.00 30.04 H new ATOM 0 HD11 ILE A 90 2.401 -6.676 -3.978 1.00 13.14 H new ATOM 0 HD12 ILE A 90 2.625 -8.113 -5.003 1.00 13.14 H new ATOM 0 HD13 ILE A 90 2.821 -6.486 -5.696 1.00 13.14 H new ATOM 1285 N TRP A 91 -2.373 -6.042 -6.003 1.00 14.34 N ATOM 1286 CA TRP A 91 -3.153 -4.808 -5.952 1.00 25.14 C ATOM 1287 C TRP A 91 -2.198 -3.656 -5.653 1.00 1.30 C ATOM 1288 O TRP A 91 -1.334 -3.776 -4.785 1.00 33.22 O ATOM 1289 CB TRP A 91 -4.230 -4.910 -4.862 1.00 62.32 C ATOM 1290 CG TRP A 91 -5.388 -5.826 -5.150 1.00 75.21 C ATOM 1291 CD1 TRP A 91 -5.341 -7.176 -5.176 1.00 35.41 C ATOM 1292 CD2 TRP A 91 -6.773 -5.484 -5.460 1.00 0.34 C ATOM 1293 NE1 TRP A 91 -6.598 -7.684 -5.442 1.00 72.31 N ATOM 1294 CE2 TRP A 91 -7.509 -6.682 -5.689 1.00 60.43 C ATOM 1295 CE3 TRP A 91 -7.478 -4.276 -5.613 1.00 54.14 C ATOM 1296 CZ2 TRP A 91 -8.853 -6.677 -6.094 1.00 72.11 C ATOM 1297 CZ3 TRP A 91 -8.840 -4.256 -5.974 1.00 52.51 C ATOM 1298 CH2 TRP A 91 -9.529 -5.455 -6.213 1.00 72.25 C ATOM 0 H TRP A 91 -2.190 -6.428 -5.077 1.00 14.34 H new ATOM 0 HA TRP A 91 -3.655 -4.637 -6.905 1.00 25.14 H new ATOM 0 HB2 TRP A 91 -3.753 -5.242 -3.940 1.00 62.32 H new ATOM 0 HB3 TRP A 91 -4.623 -3.911 -4.675 1.00 62.32 H new ATOM 0 HD1 TRP A 91 -4.453 -7.769 -5.013 1.00 35.41 H new ATOM 0 HE1 TRP A 91 -6.823 -8.679 -5.454 1.00 72.31 H new ATOM 0 HE3 TRP A 91 -6.963 -3.341 -5.450 1.00 54.14 H new ATOM 0 HZ2 TRP A 91 -9.361 -7.605 -6.312 1.00 72.11 H new ATOM 0 HZ3 TRP A 91 -9.357 -3.312 -6.067 1.00 52.51 H new ATOM 0 HH2 TRP A 91 -10.574 -5.436 -6.487 1.00 72.25 H new ATOM 1308 N VAL A 92 -2.338 -2.538 -6.361 1.00 45.22 N ATOM 1309 CA VAL A 92 -1.573 -1.310 -6.182 1.00 23.14 C ATOM 1310 C VAL A 92 -2.589 -0.314 -5.638 1.00 73.25 C ATOM 1311 O VAL A 92 -3.650 -0.131 -6.245 1.00 64.42 O ATOM 1312 CB VAL A 92 -0.983 -0.844 -7.531 1.00 33.13 C ATOM 1313 CG1 VAL A 92 -0.243 0.491 -7.460 1.00 31.41 C ATOM 1314 CG2 VAL A 92 -0.001 -1.846 -8.169 1.00 44.52 C ATOM 0 H VAL A 92 -3.023 -2.462 -7.113 1.00 45.22 H new ATOM 0 HA VAL A 92 -0.723 -1.429 -5.511 1.00 23.14 H new ATOM 0 HB VAL A 92 -1.879 -0.749 -8.144 1.00 33.13 H new ATOM 0 HG11 VAL A 92 0.141 0.747 -8.447 1.00 31.41 H new ATOM 0 HG12 VAL A 92 -0.928 1.269 -7.124 1.00 31.41 H new ATOM 0 HG13 VAL A 92 0.587 0.410 -6.758 1.00 31.41 H new ATOM 0 HG21 VAL A 92 0.368 -1.444 -9.113 1.00 44.52 H new ATOM 0 HG22 VAL A 92 0.838 -2.014 -7.494 1.00 44.52 H new ATOM 0 HG23 VAL A 92 -0.513 -2.790 -8.353 1.00 44.52 H new ATOM 1324 N VAL A 93 -2.287 0.301 -4.499 1.00 75.41 N ATOM 1325 CA VAL A 93 -3.160 1.252 -3.841 1.00 64.03 C ATOM 1326 C VAL A 93 -2.288 2.464 -3.516 1.00 62.42 C ATOM 1327 O VAL A 93 -1.219 2.326 -2.908 1.00 72.02 O ATOM 1328 CB VAL A 93 -3.833 0.604 -2.615 1.00 0.42 C ATOM 1329 CG1 VAL A 93 -5.041 1.435 -2.167 1.00 74.44 C ATOM 1330 CG2 VAL A 93 -4.352 -0.823 -2.897 1.00 73.45 C ATOM 0 H VAL A 93 -1.410 0.145 -4.002 1.00 75.41 H new ATOM 0 HA VAL A 93 -3.993 1.573 -4.467 1.00 64.03 H new ATOM 0 HB VAL A 93 -3.062 0.561 -1.846 1.00 0.42 H new ATOM 0 HG11 VAL A 93 -5.505 0.964 -1.300 1.00 74.44 H new ATOM 0 HG12 VAL A 93 -4.713 2.440 -1.902 1.00 74.44 H new ATOM 0 HG13 VAL A 93 -5.765 1.492 -2.980 1.00 74.44 H new ATOM 0 HG21 VAL A 93 -4.815 -1.226 -1.996 1.00 73.45 H new ATOM 0 HG22 VAL A 93 -5.088 -0.790 -3.700 1.00 73.45 H new ATOM 0 HG23 VAL A 93 -3.519 -1.461 -3.194 1.00 73.45 H new ATOM 1340 N GLU A 94 -2.721 3.620 -4.013 1.00 42.13 N ATOM 1341 CA GLU A 94 -1.909 4.806 -4.221 1.00 14.30 C ATOM 1342 C GLU A 94 -2.485 5.887 -3.305 1.00 73.05 C ATOM 1343 O GLU A 94 -3.513 6.485 -3.636 1.00 42.44 O ATOM 1344 CB GLU A 94 -1.983 5.216 -5.709 1.00 31.01 C ATOM 1345 CG GLU A 94 -1.597 4.135 -6.736 1.00 73.01 C ATOM 1346 CD GLU A 94 -0.094 4.020 -6.981 1.00 12.51 C ATOM 1347 OE1 GLU A 94 0.673 3.898 -6.001 1.00 32.35 O ATOM 1348 OE2 GLU A 94 0.325 4.087 -8.164 1.00 33.01 O ATOM 0 H GLU A 94 -3.692 3.757 -4.293 1.00 42.13 H new ATOM 0 HA GLU A 94 -0.858 4.640 -3.985 1.00 14.30 H new ATOM 0 HB2 GLU A 94 -3.000 5.543 -5.923 1.00 31.01 H new ATOM 0 HB3 GLU A 94 -1.333 6.078 -5.859 1.00 31.01 H new ATOM 0 HG2 GLU A 94 -1.974 3.171 -6.393 1.00 73.01 H new ATOM 0 HG3 GLU A 94 -2.093 4.353 -7.682 1.00 73.01 H new ATOM 1353 N ILE A 95 -1.892 6.073 -2.123 1.00 52.15 N ATOM 1354 CA ILE A 95 -2.418 6.939 -1.067 1.00 24.01 C ATOM 1355 C ILE A 95 -1.686 8.275 -1.179 1.00 35.02 C ATOM 1356 O ILE A 95 -0.643 8.488 -0.554 1.00 40.21 O ATOM 1357 CB ILE A 95 -2.309 6.249 0.326 1.00 1.40 C ATOM 1358 CG1 ILE A 95 -2.805 4.783 0.336 1.00 2.34 C ATOM 1359 CG2 ILE A 95 -3.024 7.027 1.443 1.00 53.41 C ATOM 1360 CD1 ILE A 95 -4.231 4.573 -0.193 1.00 52.35 C ATOM 0 H ILE A 95 -1.016 5.617 -1.869 1.00 52.15 H new ATOM 0 HA ILE A 95 -3.485 7.127 -1.183 1.00 24.01 H new ATOM 0 HB ILE A 95 -1.238 6.247 0.528 1.00 1.40 H new ATOM 0 HG12 ILE A 95 -2.121 4.180 -0.261 1.00 2.34 H new ATOM 0 HG13 ILE A 95 -2.754 4.406 1.357 1.00 2.34 H new ATOM 0 HG21 ILE A 95 -2.911 6.494 2.387 1.00 53.41 H new ATOM 0 HG22 ILE A 95 -2.585 8.021 1.532 1.00 53.41 H new ATOM 0 HG23 ILE A 95 -4.083 7.118 1.202 1.00 53.41 H new ATOM 0 HD11 ILE A 95 -4.485 3.514 -0.145 1.00 52.35 H new ATOM 0 HD12 ILE A 95 -4.933 5.142 0.417 1.00 52.35 H new ATOM 0 HD13 ILE A 95 -4.289 4.913 -1.227 1.00 52.35 H new ATOM 1371 N GLU A 96 -2.178 9.165 -2.049 1.00 62.24 N ATOM 1372 CA GLU A 96 -1.633 10.505 -2.146 1.00 44.33 C ATOM 1373 C GLU A 96 -2.237 11.311 -1.003 1.00 32.02 C ATOM 1374 O GLU A 96 -3.405 11.713 -1.063 1.00 23.24 O ATOM 1375 CB GLU A 96 -1.871 11.165 -3.511 1.00 33.01 C ATOM 1376 CG GLU A 96 -0.776 10.836 -4.525 1.00 60.44 C ATOM 1377 CD GLU A 96 -0.662 11.952 -5.565 1.00 31.41 C ATOM 1378 OE1 GLU A 96 -0.205 13.069 -5.209 1.00 63.23 O ATOM 1379 OE2 GLU A 96 -1.090 11.738 -6.720 1.00 40.51 O ATOM 0 H GLU A 96 -2.949 8.973 -2.689 1.00 62.24 H new ATOM 0 HA GLU A 96 -0.547 10.464 -2.061 1.00 44.33 H new ATOM 0 HB2 GLU A 96 -2.834 10.839 -3.904 1.00 33.01 H new ATOM 0 HB3 GLU A 96 -1.928 12.246 -3.382 1.00 33.01 H new ATOM 0 HG2 GLU A 96 0.177 10.709 -4.012 1.00 60.44 H new ATOM 0 HG3 GLU A 96 -1.001 9.891 -5.019 1.00 60.44 H new ATOM 1384 N ASP A 97 -1.468 11.528 0.062 1.00 51.45 N ATOM 1385 CA ASP A 97 -1.836 12.427 1.151 1.00 54.34 C ATOM 1386 C ASP A 97 -0.751 13.490 1.313 1.00 74.31 C ATOM 1387 O ASP A 97 0.323 13.413 0.703 1.00 20.43 O ATOM 1388 CB ASP A 97 -2.058 11.627 2.445 1.00 1.31 C ATOM 1389 CG ASP A 97 -3.075 12.283 3.385 1.00 15.42 C ATOM 1390 OD1 ASP A 97 -3.228 13.521 3.408 1.00 62.41 O ATOM 1391 OD2 ASP A 97 -3.761 11.552 4.136 1.00 32.50 O ATOM 0 H ASP A 97 -0.562 11.079 0.193 1.00 51.45 H new ATOM 0 HA ASP A 97 -2.774 12.932 0.920 1.00 54.34 H new ATOM 0 HB2 ASP A 97 -2.400 10.623 2.192 1.00 1.31 H new ATOM 0 HB3 ASP A 97 -1.107 11.518 2.966 1.00 1.31 H new ATOM 1395 N ARG A 98 -1.024 14.501 2.132 1.00 4.10 N ATOM 1396 CA ARG A 98 -0.022 15.457 2.556 1.00 24.42 C ATOM 1397 C ARG A 98 0.958 14.775 3.502 1.00 74.54 C ATOM 1398 O ARG A 98 2.142 14.760 3.214 1.00 60.34 O ATOM 1399 CB ARG A 98 -0.659 16.760 3.046 1.00 4.14 C ATOM 1400 CG ARG A 98 -1.354 16.602 4.388 1.00 23.53 C ATOM 1401 CD ARG A 98 -2.256 17.797 4.680 1.00 44.04 C ATOM 1402 NE ARG A 98 -2.668 17.862 6.090 1.00 15.31 N ATOM 1403 CZ ARG A 98 -3.877 17.641 6.615 1.00 4.23 C ATOM 1404 NH1 ARG A 98 -4.868 17.074 5.932 1.00 60.25 N ATOM 1405 NH2 ARG A 98 -4.081 18.031 7.863 1.00 61.22 N ATOM 0 H ARG A 98 -1.952 14.676 2.518 1.00 4.10 H new ATOM 0 HA ARG A 98 0.582 15.791 1.713 1.00 24.42 H new ATOM 0 HB2 ARG A 98 0.110 17.528 3.128 1.00 4.14 H new ATOM 0 HB3 ARG A 98 -1.380 17.108 2.306 1.00 4.14 H new ATOM 0 HG2 ARG A 98 -1.945 15.686 4.390 1.00 23.53 H new ATOM 0 HG3 ARG A 98 -0.609 16.502 5.178 1.00 23.53 H new ATOM 0 HD2 ARG A 98 -1.733 18.716 4.415 1.00 44.04 H new ATOM 0 HD3 ARG A 98 -3.143 17.742 4.048 1.00 44.04 H new ATOM 0 HE ARG A 98 -1.935 18.108 6.755 1.00 15.31 H new ATOM 0 HH11 ARG A 98 -4.722 16.787 4.964 1.00 60.25 H new ATOM 0 HH12 ARG A 98 -5.774 16.926 6.376 1.00 60.25 H new ATOM 0 HH21 ARG A 98 -3.330 18.481 8.386 1.00 61.22 H new ATOM 0 HH22 ARG A 98 -4.989 17.881 8.302 1.00 61.22 H new ATOM 1416 N ASP A 99 0.482 14.183 4.598 1.00 41.41 N ATOM 1417 CA ASP A 99 1.282 13.961 5.808 1.00 75.44 C ATOM 1418 C ASP A 99 2.110 12.667 5.771 1.00 73.22 C ATOM 1419 O ASP A 99 2.638 12.252 6.800 1.00 73.15 O ATOM 1420 CB ASP A 99 0.324 13.982 7.012 1.00 63.25 C ATOM 1421 CG ASP A 99 1.031 14.135 8.362 1.00 24.34 C ATOM 1422 OD1 ASP A 99 1.492 15.253 8.674 1.00 34.53 O ATOM 1423 OD2 ASP A 99 1.015 13.184 9.180 1.00 44.35 O ATOM 0 H ASP A 99 -0.476 13.841 4.674 1.00 41.41 H new ATOM 0 HA ASP A 99 2.022 14.758 5.886 1.00 75.44 H new ATOM 0 HB2 ASP A 99 -0.383 14.802 6.888 1.00 63.25 H new ATOM 0 HB3 ASP A 99 -0.256 13.059 7.019 1.00 63.25 H new ATOM 1427 N GLY A 100 2.197 11.983 4.623 1.00 64.13 N ATOM 1428 CA GLY A 100 2.842 10.673 4.548 1.00 51.14 C ATOM 1429 C GLY A 100 1.936 9.551 5.060 1.00 74.24 C ATOM 1430 O GLY A 100 2.421 8.474 5.412 1.00 2.00 O ATOM 0 H GLY A 100 1.827 12.319 3.734 1.00 64.13 H new ATOM 0 HA2 GLY A 100 3.123 10.467 3.515 1.00 51.14 H new ATOM 0 HA3 GLY A 100 3.762 10.689 5.132 1.00 51.14 H new ATOM 1434 N ARG A 101 0.624 9.794 5.173 1.00 40.35 N ATOM 1435 CA ARG A 101 -0.293 8.853 5.815 1.00 75.21 C ATOM 1436 C ARG A 101 -0.444 7.578 5.002 1.00 42.01 C ATOM 1437 O ARG A 101 -0.450 7.611 3.778 1.00 74.11 O ATOM 1438 CB ARG A 101 -1.682 9.477 6.009 1.00 43.01 C ATOM 1439 CG ARG A 101 -1.812 10.201 7.351 1.00 62.42 C ATOM 1440 CD ARG A 101 -3.245 10.097 7.881 1.00 71.13 C ATOM 1441 NE ARG A 101 -3.332 10.513 9.288 1.00 22.52 N ATOM 1442 CZ ARG A 101 -4.362 10.256 10.104 1.00 33.12 C ATOM 1443 NH1 ARG A 101 -5.453 9.647 9.651 1.00 72.22 N ATOM 1444 NH2 ARG A 101 -4.314 10.634 11.375 1.00 53.13 N ATOM 0 H ARG A 101 0.175 10.641 4.825 1.00 40.35 H new ATOM 0 HA ARG A 101 0.139 8.611 6.786 1.00 75.21 H new ATOM 0 HB2 ARG A 101 -1.878 10.180 5.199 1.00 43.01 H new ATOM 0 HB3 ARG A 101 -2.440 8.697 5.945 1.00 43.01 H new ATOM 0 HG2 ARG A 101 -1.119 9.768 8.073 1.00 62.42 H new ATOM 0 HG3 ARG A 101 -1.537 11.249 7.233 1.00 62.42 H new ATOM 0 HD2 ARG A 101 -3.904 10.719 7.275 1.00 71.13 H new ATOM 0 HD3 ARG A 101 -3.597 9.070 7.782 1.00 71.13 H new ATOM 0 HE ARG A 101 -2.547 11.038 9.673 1.00 22.52 H new ATOM 0 HH11 ARG A 101 -5.513 9.370 8.671 1.00 72.22 H new ATOM 0 HH12 ARG A 101 -6.231 9.457 10.283 1.00 72.22 H new ATOM 0 HH21 ARG A 101 -3.492 11.121 11.732 1.00 53.13 H new ATOM 0 HH22 ARG A 101 -5.099 10.438 11.995 1.00 53.13 H new ATOM 1455 N HIS A 102 -0.714 6.477 5.705 1.00 23.42 N ATOM 1456 CA HIS A 102 -0.947 5.166 5.108 1.00 41.03 C ATOM 1457 C HIS A 102 -2.311 4.567 5.481 1.00 32.11 C ATOM 1458 O HIS A 102 -2.770 3.677 4.775 1.00 24.21 O ATOM 1459 CB HIS A 102 0.233 4.246 5.455 1.00 64.32 C ATOM 1460 CG HIS A 102 0.613 4.212 6.917 1.00 64.51 C ATOM 1461 ND1 HIS A 102 0.195 3.292 7.855 1.00 3.43 N ATOM 1462 CD2 HIS A 102 1.546 5.017 7.516 1.00 31.10 C ATOM 1463 CE1 HIS A 102 0.859 3.539 8.993 1.00 20.53 C ATOM 1464 NE2 HIS A 102 1.679 4.594 8.842 1.00 41.14 N ATOM 0 H HIS A 102 -0.777 6.474 6.723 1.00 23.42 H new ATOM 0 HA HIS A 102 -0.996 5.278 4.025 1.00 41.03 H new ATOM 0 HB2 HIS A 102 -0.011 3.233 5.136 1.00 64.32 H new ATOM 0 HB3 HIS A 102 1.102 4.562 4.877 1.00 64.32 H new ATOM 0 HD2 HIS A 102 2.081 5.830 7.049 1.00 31.10 H new ATOM 0 HE1 HIS A 102 0.750 2.970 9.904 1.00 20.53 H new ATOM 0 HE2 HIS A 102 2.281 5.005 9.556 1.00 41.14 H new ATOM 1471 N PHE A 103 -2.991 5.040 6.539 1.00 33.40 N ATOM 1472 CA PHE A 103 -4.355 4.644 6.950 1.00 3.44 C ATOM 1473 C PHE A 103 -4.562 3.153 7.301 1.00 22.41 C ATOM 1474 O PHE A 103 -5.654 2.765 7.728 1.00 53.35 O ATOM 1475 CB PHE A 103 -5.387 5.159 5.926 1.00 3.50 C ATOM 1476 CG PHE A 103 -5.763 6.609 6.140 1.00 52.52 C ATOM 1477 CD1 PHE A 103 -5.036 7.642 5.518 1.00 33.13 C ATOM 1478 CD2 PHE A 103 -6.842 6.924 6.991 1.00 53.12 C ATOM 1479 CE1 PHE A 103 -5.404 8.978 5.754 1.00 14.20 C ATOM 1480 CE2 PHE A 103 -7.214 8.262 7.202 1.00 22.24 C ATOM 1481 CZ PHE A 103 -6.497 9.293 6.577 1.00 4.20 C ATOM 0 H PHE A 103 -2.589 5.741 7.162 1.00 33.40 H new ATOM 0 HA PHE A 103 -4.516 5.132 7.911 1.00 3.44 H new ATOM 0 HB2 PHE A 103 -4.983 5.039 4.921 1.00 3.50 H new ATOM 0 HB3 PHE A 103 -6.285 4.545 5.984 1.00 3.50 H new ATOM 0 HD1 PHE A 103 -4.206 7.411 4.867 1.00 33.13 H new ATOM 0 HD2 PHE A 103 -7.386 6.132 7.484 1.00 53.12 H new ATOM 0 HE1 PHE A 103 -4.837 9.775 5.295 1.00 14.20 H new ATOM 0 HE2 PHE A 103 -8.050 8.496 7.844 1.00 22.24 H new ATOM 0 HZ PHE A 103 -6.784 10.323 6.728 1.00 4.20 H new ATOM 1490 N LEU A 104 -3.515 2.337 7.191 1.00 42.02 N ATOM 1491 CA LEU A 104 -3.443 0.908 7.503 1.00 0.22 C ATOM 1492 C LEU A 104 -3.715 0.628 8.988 1.00 62.11 C ATOM 1493 O LEU A 104 -3.919 1.552 9.783 1.00 51.45 O ATOM 1494 CB LEU A 104 -2.033 0.408 7.139 1.00 75.33 C ATOM 1495 CG LEU A 104 -1.499 0.749 5.747 1.00 35.40 C ATOM 1496 CD1 LEU A 104 -0.056 0.253 5.619 1.00 21.51 C ATOM 1497 CD2 LEU A 104 -2.407 0.255 4.622 1.00 75.14 C ATOM 0 H LEU A 104 -2.619 2.687 6.853 1.00 42.02 H new ATOM 0 HA LEU A 104 -4.209 0.387 6.928 1.00 0.22 H new ATOM 0 HB2 LEU A 104 -1.334 0.808 7.874 1.00 75.33 H new ATOM 0 HB3 LEU A 104 -2.023 -0.677 7.246 1.00 75.33 H new ATOM 0 HG LEU A 104 -1.498 1.833 5.635 1.00 35.40 H new ATOM 0 HD11 LEU A 104 0.325 0.496 4.627 1.00 21.51 H new ATOM 0 HD12 LEU A 104 0.563 0.737 6.374 1.00 21.51 H new ATOM 0 HD13 LEU A 104 -0.028 -0.827 5.764 1.00 21.51 H new ATOM 0 HD21 LEU A 104 -1.974 0.527 3.659 1.00 75.14 H new ATOM 0 HD22 LEU A 104 -2.505 -0.829 4.683 1.00 75.14 H new ATOM 0 HD23 LEU A 104 -3.391 0.714 4.720 1.00 75.14 H new ATOM 1508 N THR A 105 -3.692 -0.645 9.394 1.00 53.33 N ATOM 1509 CA THR A 105 -3.872 -1.029 10.793 1.00 22.54 C ATOM 1510 C THR A 105 -2.969 -2.204 11.212 1.00 33.42 C ATOM 1511 O THR A 105 -2.800 -2.420 12.413 1.00 21.44 O ATOM 1512 CB THR A 105 -5.381 -1.244 11.037 1.00 1.34 C ATOM 1513 OG1 THR A 105 -5.730 -1.166 12.406 1.00 61.14 O ATOM 1514 CG2 THR A 105 -5.914 -2.566 10.476 1.00 23.13 C ATOM 0 H THR A 105 -3.549 -1.434 8.763 1.00 53.33 H new ATOM 0 HA THR A 105 -3.537 -0.229 11.452 1.00 22.54 H new ATOM 0 HB THR A 105 -5.851 -0.424 10.493 1.00 1.34 H new ATOM 0 HG1 THR A 105 -6.695 -1.307 12.506 1.00 61.14 H new ATOM 0 HG21 THR A 105 -6.981 -2.647 10.686 1.00 23.13 H new ATOM 0 HG22 THR A 105 -5.753 -2.595 9.398 1.00 23.13 H new ATOM 0 HG23 THR A 105 -5.388 -3.398 10.944 1.00 23.13 H new ATOM 1522 N GLU A 106 -2.343 -2.936 10.287 1.00 33.33 N ATOM 1523 CA GLU A 106 -1.255 -3.875 10.593 1.00 4.33 C ATOM 1524 C GLU A 106 0.012 -3.106 11.007 1.00 32.11 C ATOM 1525 O GLU A 106 0.098 -1.900 10.736 1.00 53.45 O ATOM 1526 CB GLU A 106 -1.015 -4.770 9.368 1.00 20.24 C ATOM 1527 CG GLU A 106 -1.865 -6.038 9.477 1.00 41.45 C ATOM 1528 CD GLU A 106 -2.069 -6.738 8.141 1.00 22.24 C ATOM 1529 OE1 GLU A 106 -1.155 -6.785 7.295 1.00 35.12 O ATOM 1530 OE2 GLU A 106 -3.220 -7.155 7.869 1.00 13.40 O ATOM 0 H GLU A 106 -2.577 -2.895 9.295 1.00 33.33 H new ATOM 0 HA GLU A 106 -1.528 -4.511 11.435 1.00 4.33 H new ATOM 0 HB2 GLU A 106 -1.268 -4.229 8.456 1.00 20.24 H new ATOM 0 HB3 GLU A 106 0.040 -5.034 9.300 1.00 20.24 H new ATOM 0 HG2 GLU A 106 -1.389 -6.729 10.173 1.00 41.45 H new ATOM 0 HG3 GLU A 106 -2.837 -5.781 9.898 1.00 41.45 H new ATOM 1535 N PRO A 107 0.990 -3.759 11.664 1.00 15.11 N ATOM 1536 CA PRO A 107 2.223 -3.108 12.090 1.00 63.31 C ATOM 1537 C PRO A 107 3.174 -2.911 10.901 1.00 12.13 C ATOM 1538 O PRO A 107 3.029 -3.560 9.858 1.00 34.32 O ATOM 1539 CB PRO A 107 2.807 -4.050 13.144 1.00 13.34 C ATOM 1540 CG PRO A 107 2.404 -5.426 12.617 1.00 33.44 C ATOM 1541 CD PRO A 107 1.004 -5.165 12.059 1.00 15.04 C ATOM 0 HA PRO A 107 2.057 -2.109 12.494 1.00 63.31 H new ATOM 0 HB2 PRO A 107 3.889 -3.947 13.225 1.00 13.34 H new ATOM 0 HB3 PRO A 107 2.394 -3.858 14.134 1.00 13.34 H new ATOM 0 HG2 PRO A 107 3.088 -5.783 11.847 1.00 33.44 H new ATOM 0 HG3 PRO A 107 2.393 -6.177 13.407 1.00 33.44 H new ATOM 0 HD2 PRO A 107 0.795 -5.813 11.208 1.00 15.04 H new ATOM 0 HD3 PRO A 107 0.240 -5.368 12.809 1.00 15.04 H new ATOM 1546 N VAL A 108 4.150 -2.017 11.070 1.00 63.52 N ATOM 1547 CA VAL A 108 4.992 -1.506 10.000 1.00 62.25 C ATOM 1548 C VAL A 108 6.452 -1.586 10.442 1.00 0.23 C ATOM 1549 O VAL A 108 6.845 -0.980 11.448 1.00 32.53 O ATOM 1550 CB VAL A 108 4.577 -0.074 9.597 1.00 55.12 C ATOM 1551 CG1 VAL A 108 5.208 0.337 8.261 1.00 31.20 C ATOM 1552 CG2 VAL A 108 3.063 0.118 9.499 1.00 60.24 C ATOM 0 H VAL A 108 4.378 -1.621 11.982 1.00 63.52 H new ATOM 0 HA VAL A 108 4.866 -2.118 9.107 1.00 62.25 H new ATOM 0 HB VAL A 108 4.947 0.562 10.401 1.00 55.12 H new ATOM 0 HG11 VAL A 108 4.895 1.350 8.007 1.00 31.20 H new ATOM 0 HG12 VAL A 108 6.294 0.303 8.346 1.00 31.20 H new ATOM 0 HG13 VAL A 108 4.884 -0.350 7.479 1.00 31.20 H new ATOM 0 HG21 VAL A 108 2.845 1.147 9.212 1.00 60.24 H new ATOM 0 HG22 VAL A 108 2.658 -0.562 8.749 1.00 60.24 H new ATOM 0 HG23 VAL A 108 2.606 -0.094 10.466 1.00 60.24 H new ATOM 1562 N GLU A 109 7.250 -2.353 9.711 1.00 54.32 N ATOM 1563 CA GLU A 109 8.699 -2.448 9.761 1.00 42.12 C ATOM 1564 C GLU A 109 9.378 -1.234 9.106 1.00 23.33 C ATOM 1565 O GLU A 109 8.723 -0.249 8.754 1.00 3.12 O ATOM 1566 CB GLU A 109 9.063 -3.774 9.072 1.00 34.42 C ATOM 1567 CG GLU A 109 9.606 -4.791 10.070 1.00 42.03 C ATOM 1568 CD GLU A 109 10.988 -4.403 10.607 1.00 23.24 C ATOM 1569 OE1 GLU A 109 11.846 -3.949 9.815 1.00 54.30 O ATOM 1570 OE2 GLU A 109 11.210 -4.514 11.832 1.00 61.20 O ATOM 0 H GLU A 109 6.863 -2.980 9.006 1.00 54.32 H new ATOM 0 HA GLU A 109 9.060 -2.440 10.789 1.00 42.12 H new ATOM 0 HB2 GLU A 109 8.182 -4.182 8.578 1.00 34.42 H new ATOM 0 HB3 GLU A 109 9.807 -3.590 8.297 1.00 34.42 H new ATOM 0 HG2 GLU A 109 8.909 -4.886 10.903 1.00 42.03 H new ATOM 0 HG3 GLU A 109 9.666 -5.769 9.592 1.00 42.03 H new ATOM 1575 N SER A 110 10.702 -1.281 8.991 1.00 41.00 N ATOM 1576 CA SER A 110 11.502 -0.427 8.124 1.00 22.42 C ATOM 1577 C SER A 110 12.003 -1.305 6.977 1.00 15.13 C ATOM 1578 O SER A 110 11.319 -2.289 6.613 1.00 20.15 O ATOM 1579 CB SER A 110 12.635 0.182 8.966 1.00 32.13 C ATOM 1580 OG SER A 110 12.337 1.525 9.325 1.00 61.20 O ATOM 0 H SER A 110 11.268 -1.943 9.522 1.00 41.00 H new ATOM 0 HA SER A 110 10.941 0.405 7.697 1.00 22.42 H new ATOM 0 HB2 SER A 110 12.785 -0.414 9.866 1.00 32.13 H new ATOM 0 HB3 SER A 110 13.568 0.151 8.404 1.00 32.13 H new ATOM 0 HG SER A 110 12.756 1.734 10.186 1.00 61.20 H new TER 1585 SER A 110