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 155:sc= 0.0922 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.289 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 170:sc= 0 (180deg=-0.0794) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -124:sc= 1.11 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00391) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 2.16 (180deg=2.13) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0502 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 158:sc= -0.0421 (180deg=-0.521) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.266 F(o=-0.83,f=-0.27) USER MOD Single : A 70 SER OG : rot -168:sc= 1.35 USER MOD Single : A 71 THR OG1 : rot 35:sc= 0.0941 USER MOD Single : A 102 HIS : no HD1:sc= -0.318 K(o=-0.32,f=-1.1) USER MOD Single : A 105 THR OG1 : rot -35:sc= 0.103 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.380 -17.078 13.400 1.00 41.41 N ATOM 2 CA GLY A 1 -11.849 -15.714 13.376 1.00 41.15 C ATOM 3 C GLY A 1 -12.591 -14.907 12.331 1.00 71.14 C ATOM 4 O GLY A 1 -13.800 -14.704 12.449 1.00 23.21 O ATOM 0 H1 GLY A 1 -11.873 -17.635 14.117 1.00 41.41 H new ATOM 0 H2 GLY A 1 -13.393 -17.052 13.635 1.00 41.41 H new ATOM 0 H3 GLY A 1 -12.252 -17.517 12.466 1.00 41.41 H new ATOM 0 HA2 GLY A 1 -11.960 -15.251 14.356 1.00 41.15 H new ATOM 0 HA3 GLY A 1 -10.783 -15.730 13.150 1.00 41.15 H new ATOM 8 N MET A 2 -11.890 -14.449 11.293 1.00 74.12 N ATOM 9 CA MET A 2 -12.475 -13.693 10.190 1.00 11.22 C ATOM 10 C MET A 2 -11.890 -14.196 8.870 1.00 54.22 C ATOM 11 O MET A 2 -10.955 -15.002 8.867 1.00 2.03 O ATOM 12 CB MET A 2 -12.226 -12.186 10.377 1.00 24.24 C ATOM 13 CG MET A 2 -12.884 -11.623 11.642 1.00 60.12 C ATOM 14 SD MET A 2 -12.864 -9.815 11.762 1.00 25.10 S ATOM 15 CE MET A 2 -14.133 -9.393 10.531 1.00 2.01 C ATOM 0 H MET A 2 -10.885 -14.596 11.196 1.00 74.12 H new ATOM 0 HA MET A 2 -13.554 -13.844 10.174 1.00 11.22 H new ATOM 0 HB2 MET A 2 -11.152 -12.003 10.420 1.00 24.24 H new ATOM 0 HB3 MET A 2 -12.606 -11.650 9.507 1.00 24.24 H new ATOM 0 HG2 MET A 2 -13.918 -11.965 11.681 1.00 60.12 H new ATOM 0 HG3 MET A 2 -12.378 -12.038 12.514 1.00 60.12 H new ATOM 0 HE1 MET A 2 -14.372 -8.332 10.604 1.00 2.01 H new ATOM 0 HE2 MET A 2 -13.757 -9.612 9.531 1.00 2.01 H new ATOM 0 HE3 MET A 2 -15.031 -9.981 10.718 1.00 2.01 H new ATOM 23 N LEU A 3 -12.449 -13.735 7.749 1.00 64.54 N ATOM 24 CA LEU A 3 -12.008 -14.099 6.412 1.00 40.11 C ATOM 25 C LEU A 3 -12.179 -12.883 5.503 1.00 22.42 C ATOM 26 O LEU A 3 -13.191 -12.727 4.821 1.00 32.13 O ATOM 27 CB LEU A 3 -12.771 -15.344 5.916 1.00 63.14 C ATOM 28 CG LEU A 3 -11.917 -16.323 5.096 1.00 20.24 C ATOM 29 CD1 LEU A 3 -11.151 -15.660 3.949 1.00 5.33 C ATOM 30 CD2 LEU A 3 -10.954 -17.080 6.017 1.00 14.05 C ATOM 0 H LEU A 3 -13.236 -13.086 7.751 1.00 64.54 H new ATOM 0 HA LEU A 3 -10.954 -14.376 6.409 1.00 40.11 H new ATOM 0 HB2 LEU A 3 -13.181 -15.871 6.777 1.00 63.14 H new ATOM 0 HB3 LEU A 3 -13.616 -15.020 5.308 1.00 63.14 H new ATOM 0 HG LEU A 3 -12.611 -17.022 4.629 1.00 20.24 H new ATOM 0 HD11 LEU A 3 -10.571 -16.413 3.416 1.00 5.33 H new ATOM 0 HD12 LEU A 3 -11.857 -15.192 3.263 1.00 5.33 H new ATOM 0 HD13 LEU A 3 -10.479 -14.902 4.351 1.00 5.33 H new ATOM 0 HD21 LEU A 3 -10.353 -17.771 5.426 1.00 14.05 H new ATOM 0 HD22 LEU A 3 -10.299 -16.370 6.521 1.00 14.05 H new ATOM 0 HD23 LEU A 3 -11.524 -17.638 6.760 1.00 14.05 H new ATOM 41 N LEU A 4 -11.204 -11.980 5.551 1.00 2.20 N ATOM 42 CA LEU A 4 -11.113 -10.823 4.659 1.00 53.14 C ATOM 43 C LEU A 4 -10.663 -11.306 3.270 1.00 0.23 C ATOM 44 O LEU A 4 -10.340 -12.483 3.092 1.00 23.51 O ATOM 45 CB LEU A 4 -10.127 -9.794 5.250 1.00 75.44 C ATOM 46 CG LEU A 4 -10.628 -8.933 6.433 1.00 11.31 C ATOM 47 CD1 LEU A 4 -11.626 -7.882 5.953 1.00 4.05 C ATOM 48 CD2 LEU A 4 -11.257 -9.706 7.601 1.00 40.12 C ATOM 0 H LEU A 4 -10.439 -12.031 6.223 1.00 2.20 H new ATOM 0 HA LEU A 4 -12.083 -10.335 4.559 1.00 53.14 H new ATOM 0 HB2 LEU A 4 -9.235 -10.329 5.576 1.00 75.44 H new ATOM 0 HB3 LEU A 4 -9.820 -9.121 4.449 1.00 75.44 H new ATOM 0 HG LEU A 4 -9.719 -8.476 6.825 1.00 11.31 H new ATOM 0 HD11 LEU A 4 -11.965 -7.288 6.802 1.00 4.05 H new ATOM 0 HD12 LEU A 4 -11.146 -7.231 5.223 1.00 4.05 H new ATOM 0 HD13 LEU A 4 -12.481 -8.376 5.491 1.00 4.05 H new ATOM 0 HD21 LEU A 4 -11.573 -9.005 8.373 1.00 40.12 H new ATOM 0 HD22 LEU A 4 -12.122 -10.265 7.244 1.00 40.12 H new ATOM 0 HD23 LEU A 4 -10.524 -10.398 8.016 1.00 40.12 H new ATOM 59 N SER A 5 -10.618 -10.418 2.276 1.00 65.42 N ATOM 60 CA SER A 5 -10.032 -10.697 0.965 1.00 22.10 C ATOM 61 C SER A 5 -9.268 -9.474 0.472 1.00 2.25 C ATOM 62 O SER A 5 -9.437 -8.386 1.026 1.00 72.44 O ATOM 63 CB SER A 5 -11.107 -11.046 -0.072 1.00 22.34 C ATOM 64 OG SER A 5 -12.340 -11.477 0.463 1.00 11.35 O ATOM 0 H SER A 5 -10.992 -9.473 2.360 1.00 65.42 H new ATOM 0 HA SER A 5 -9.363 -11.550 1.080 1.00 22.10 H new ATOM 0 HB2 SER A 5 -11.286 -10.170 -0.695 1.00 22.34 H new ATOM 0 HB3 SER A 5 -10.719 -11.828 -0.725 1.00 22.34 H new ATOM 0 HG SER A 5 -12.962 -11.675 -0.268 1.00 11.35 H new ATOM 69 N THR A 6 -8.533 -9.618 -0.632 1.00 12.44 N ATOM 70 CA THR A 6 -7.741 -8.541 -1.191 1.00 21.31 C ATOM 71 C THR A 6 -8.604 -7.316 -1.514 1.00 2.40 C ATOM 72 O THR A 6 -8.308 -6.214 -1.052 1.00 73.45 O ATOM 73 CB THR A 6 -6.950 -9.055 -2.400 1.00 73.52 C ATOM 74 OG1 THR A 6 -6.440 -10.360 -2.178 1.00 24.22 O ATOM 75 CG2 THR A 6 -5.792 -8.094 -2.633 1.00 24.11 C ATOM 0 H THR A 6 -8.476 -10.490 -1.159 1.00 12.44 H new ATOM 0 HA THR A 6 -7.020 -8.202 -0.447 1.00 21.31 H new ATOM 0 HB THR A 6 -7.610 -9.106 -3.266 1.00 73.52 H new ATOM 0 HG1 THR A 6 -5.470 -10.360 -2.314 1.00 24.22 H new ATOM 0 HG21 THR A 6 -5.206 -8.431 -3.489 1.00 24.11 H new ATOM 0 HG22 THR A 6 -6.182 -7.095 -2.830 1.00 24.11 H new ATOM 0 HG23 THR A 6 -5.158 -8.067 -1.747 1.00 24.11 H new ATOM 83 N ASP A 7 -9.706 -7.524 -2.243 1.00 0.32 N ATOM 84 CA ASP A 7 -10.651 -6.459 -2.594 1.00 54.14 C ATOM 85 C ASP A 7 -11.179 -5.750 -1.346 1.00 1.01 C ATOM 86 O ASP A 7 -11.341 -4.532 -1.352 1.00 44.04 O ATOM 87 CB ASP A 7 -11.819 -7.045 -3.394 1.00 54.04 C ATOM 88 CG ASP A 7 -12.986 -6.065 -3.520 1.00 41.24 C ATOM 89 OD1 ASP A 7 -12.894 -5.078 -4.282 1.00 41.11 O ATOM 90 OD2 ASP A 7 -14.043 -6.314 -2.902 1.00 4.00 O ATOM 0 H ASP A 7 -9.968 -8.440 -2.607 1.00 0.32 H new ATOM 0 HA ASP A 7 -10.123 -5.724 -3.202 1.00 54.14 H new ATOM 0 HB2 ASP A 7 -11.472 -7.323 -4.389 1.00 54.04 H new ATOM 0 HB3 ASP A 7 -12.165 -7.959 -2.911 1.00 54.04 H new ATOM 94 N ILE A 8 -11.406 -6.498 -0.263 1.00 64.41 N ATOM 95 CA ILE A 8 -12.007 -5.980 0.955 1.00 3.22 C ATOM 96 C ILE A 8 -11.102 -4.920 1.583 1.00 15.40 C ATOM 97 O ILE A 8 -11.571 -3.844 1.970 1.00 25.30 O ATOM 98 CB ILE A 8 -12.310 -7.106 1.957 1.00 35.13 C ATOM 99 CG1 ILE A 8 -13.102 -8.273 1.357 1.00 65.11 C ATOM 100 CG2 ILE A 8 -13.055 -6.482 3.145 1.00 42.41 C ATOM 101 CD1 ILE A 8 -14.411 -7.928 0.662 1.00 51.34 C ATOM 0 H ILE A 8 -11.173 -7.490 -0.213 1.00 64.41 H new ATOM 0 HA ILE A 8 -12.957 -5.515 0.691 1.00 3.22 H new ATOM 0 HB ILE A 8 -11.365 -7.549 2.273 1.00 35.13 H new ATOM 0 HG12 ILE A 8 -12.461 -8.785 0.639 1.00 65.11 H new ATOM 0 HG13 ILE A 8 -13.318 -8.983 2.155 1.00 65.11 H new ATOM 0 HG21 ILE A 8 -13.286 -7.256 3.877 1.00 42.41 H new ATOM 0 HG22 ILE A 8 -12.428 -5.720 3.608 1.00 42.41 H new ATOM 0 HG23 ILE A 8 -13.981 -6.026 2.795 1.00 42.41 H new ATOM 0 HD11 ILE A 8 -14.873 -8.839 0.282 1.00 51.34 H new ATOM 0 HD12 ILE A 8 -15.085 -7.449 1.372 1.00 51.34 H new ATOM 0 HD13 ILE A 8 -14.215 -7.248 -0.167 1.00 51.34 H new ATOM 112 N TRP A 9 -9.807 -5.218 1.714 1.00 13.35 N ATOM 113 CA TRP A 9 -8.879 -4.270 2.305 1.00 21.23 C ATOM 114 C TRP A 9 -8.753 -3.048 1.421 1.00 32.10 C ATOM 115 O TRP A 9 -8.833 -1.937 1.939 1.00 60.23 O ATOM 116 CB TRP A 9 -7.502 -4.887 2.491 1.00 14.15 C ATOM 117 CG TRP A 9 -7.448 -6.068 3.393 1.00 34.22 C ATOM 118 CD1 TRP A 9 -7.980 -6.174 4.630 1.00 4.04 C ATOM 119 CD2 TRP A 9 -6.888 -7.368 3.081 1.00 25.51 C ATOM 120 NE1 TRP A 9 -7.709 -7.433 5.128 1.00 3.34 N ATOM 121 CE2 TRP A 9 -7.131 -8.244 4.173 1.00 51.04 C ATOM 122 CE3 TRP A 9 -6.235 -7.890 1.950 1.00 53.21 C ATOM 123 CZ2 TRP A 9 -6.800 -9.604 4.118 1.00 64.13 C ATOM 124 CZ3 TRP A 9 -5.905 -9.255 1.877 1.00 53.03 C ATOM 125 CH2 TRP A 9 -6.211 -10.111 2.949 1.00 33.53 C ATOM 0 H TRP A 9 -9.387 -6.100 1.420 1.00 13.35 H new ATOM 0 HA TRP A 9 -9.272 -3.988 3.282 1.00 21.23 H new ATOM 0 HB2 TRP A 9 -7.119 -5.180 1.514 1.00 14.15 H new ATOM 0 HB3 TRP A 9 -6.830 -4.123 2.881 1.00 14.15 H new ATOM 0 HD1 TRP A 9 -8.528 -5.400 5.146 1.00 4.04 H new ATOM 0 HE1 TRP A 9 -7.911 -7.727 6.084 1.00 3.34 H new ATOM 0 HE3 TRP A 9 -5.984 -7.235 1.129 1.00 53.21 H new ATOM 0 HZ2 TRP A 9 -6.995 -10.251 4.960 1.00 64.13 H new ATOM 0 HZ3 TRP A 9 -5.416 -9.646 0.997 1.00 53.03 H new ATOM 0 HH2 TRP A 9 -5.992 -11.166 2.873 1.00 33.53 H new ATOM 135 N VAL A 10 -8.561 -3.228 0.112 1.00 43.11 N ATOM 136 CA VAL A 10 -8.397 -2.099 -0.794 1.00 51.23 C ATOM 137 C VAL A 10 -9.672 -1.242 -0.815 1.00 13.24 C ATOM 138 O VAL A 10 -9.584 -0.021 -0.967 1.00 13.10 O ATOM 139 CB VAL A 10 -7.949 -2.593 -2.184 1.00 33.33 C ATOM 140 CG1 VAL A 10 -7.752 -1.394 -3.123 1.00 35.54 C ATOM 141 CG2 VAL A 10 -6.623 -3.373 -2.079 1.00 1.21 C ATOM 0 H VAL A 10 -8.516 -4.142 -0.338 1.00 43.11 H new ATOM 0 HA VAL A 10 -7.603 -1.444 -0.436 1.00 51.23 H new ATOM 0 HB VAL A 10 -8.721 -3.252 -2.581 1.00 33.33 H new ATOM 0 HG11 VAL A 10 -7.435 -1.748 -4.104 1.00 35.54 H new ATOM 0 HG12 VAL A 10 -8.691 -0.849 -3.220 1.00 35.54 H new ATOM 0 HG13 VAL A 10 -6.989 -0.732 -2.713 1.00 35.54 H new ATOM 0 HG21 VAL A 10 -6.322 -3.714 -3.070 1.00 1.21 H new ATOM 0 HG22 VAL A 10 -5.850 -2.723 -1.669 1.00 1.21 H new ATOM 0 HG23 VAL A 10 -6.758 -4.234 -1.424 1.00 1.21 H new ATOM 151 N ALA A 11 -10.854 -1.829 -0.606 1.00 12.01 N ATOM 152 CA ALA A 11 -12.080 -1.074 -0.433 1.00 42.51 C ATOM 153 C ALA A 11 -12.000 -0.215 0.826 1.00 13.12 C ATOM 154 O ALA A 11 -12.140 1.007 0.766 1.00 22.41 O ATOM 155 CB ALA A 11 -13.285 -2.032 -0.383 1.00 0.15 C ATOM 0 H ALA A 11 -10.979 -2.840 -0.553 1.00 12.01 H new ATOM 0 HA ALA A 11 -12.213 -0.406 -1.284 1.00 42.51 H new ATOM 0 HB1 ALA A 11 -14.202 -1.457 -0.253 1.00 0.15 H new ATOM 0 HB2 ALA A 11 -13.340 -2.597 -1.314 1.00 0.15 H new ATOM 0 HB3 ALA A 11 -13.167 -2.721 0.453 1.00 0.15 H new ATOM 161 N ALA A 12 -11.768 -0.859 1.967 1.00 42.14 N ATOM 162 CA ALA A 12 -11.790 -0.239 3.276 1.00 45.21 C ATOM 163 C ALA A 12 -10.760 0.886 3.344 1.00 23.51 C ATOM 164 O ALA A 12 -11.098 2.023 3.663 1.00 21.34 O ATOM 165 CB ALA A 12 -11.528 -1.332 4.313 1.00 5.31 C ATOM 0 H ALA A 12 -11.554 -1.856 2.000 1.00 42.14 H new ATOM 0 HA ALA A 12 -12.759 0.218 3.480 1.00 45.21 H new ATOM 0 HB1 ALA A 12 -11.538 -0.896 5.312 1.00 5.31 H new ATOM 0 HB2 ALA A 12 -12.304 -2.094 4.242 1.00 5.31 H new ATOM 0 HB3 ALA A 12 -10.555 -1.786 4.125 1.00 5.31 H new ATOM 171 N LEU A 13 -9.510 0.565 3.013 1.00 33.30 N ATOM 172 CA LEU A 13 -8.353 1.445 2.977 1.00 11.45 C ATOM 173 C LEU A 13 -8.641 2.744 2.226 1.00 25.43 C ATOM 174 O LEU A 13 -8.373 3.818 2.756 1.00 4.50 O ATOM 175 CB LEU A 13 -7.167 0.679 2.373 1.00 52.42 C ATOM 176 CG LEU A 13 -5.957 1.567 2.042 1.00 22.41 C ATOM 177 CD1 LEU A 13 -5.405 2.306 3.267 1.00 63.21 C ATOM 178 CD2 LEU A 13 -4.857 0.665 1.466 1.00 52.51 C ATOM 0 H LEU A 13 -9.267 -0.388 2.744 1.00 33.30 H new ATOM 0 HA LEU A 13 -8.102 1.745 3.994 1.00 11.45 H new ATOM 0 HB2 LEU A 13 -6.855 -0.098 3.071 1.00 52.42 H new ATOM 0 HB3 LEU A 13 -7.497 0.177 1.463 1.00 52.42 H new ATOM 0 HG LEU A 13 -6.279 2.328 1.331 1.00 22.41 H new ATOM 0 HD11 LEU A 13 -4.552 2.916 2.970 1.00 63.21 H new ATOM 0 HD12 LEU A 13 -6.181 2.946 3.686 1.00 63.21 H new ATOM 0 HD13 LEU A 13 -5.089 1.581 4.017 1.00 63.21 H new ATOM 0 HD21 LEU A 13 -3.983 1.268 1.221 1.00 52.51 H new ATOM 0 HD22 LEU A 13 -4.582 -0.089 2.203 1.00 52.51 H new ATOM 0 HD23 LEU A 13 -5.224 0.174 0.564 1.00 52.51 H new ATOM 189 N ILE A 14 -9.182 2.661 1.011 1.00 34.23 N ATOM 190 CA ILE A 14 -9.506 3.855 0.238 1.00 62.32 C ATOM 191 C ILE A 14 -10.494 4.724 1.001 1.00 52.41 C ATOM 192 O ILE A 14 -10.296 5.931 1.125 1.00 31.13 O ATOM 193 CB ILE A 14 -10.007 3.423 -1.157 1.00 3.21 C ATOM 194 CG1 ILE A 14 -8.819 2.909 -1.993 1.00 61.33 C ATOM 195 CG2 ILE A 14 -10.757 4.530 -1.922 1.00 24.12 C ATOM 196 CD1 ILE A 14 -7.715 3.942 -2.208 1.00 61.41 C ATOM 0 H ILE A 14 -9.404 1.782 0.544 1.00 34.23 H new ATOM 0 HA ILE A 14 -8.622 4.475 0.088 1.00 62.32 H new ATOM 0 HB ILE A 14 -10.735 2.628 -0.995 1.00 3.21 H new ATOM 0 HG12 ILE A 14 -8.393 2.035 -1.500 1.00 61.33 H new ATOM 0 HG13 ILE A 14 -9.188 2.579 -2.964 1.00 61.33 H new ATOM 0 HG21 ILE A 14 -11.077 4.149 -2.892 1.00 24.12 H new ATOM 0 HG22 ILE A 14 -11.630 4.841 -1.348 1.00 24.12 H new ATOM 0 HG23 ILE A 14 -10.095 5.384 -2.068 1.00 24.12 H new ATOM 0 HD11 ILE A 14 -6.916 3.502 -2.805 1.00 61.41 H new ATOM 0 HD12 ILE A 14 -8.123 4.808 -2.730 1.00 61.41 H new ATOM 0 HD13 ILE A 14 -7.316 4.255 -1.243 1.00 61.41 H new ATOM 207 N ARG A 15 -11.527 4.098 1.558 1.00 41.14 N ATOM 208 CA ARG A 15 -12.597 4.819 2.234 1.00 1.31 C ATOM 209 C ARG A 15 -12.044 5.630 3.404 1.00 13.45 C ATOM 210 O ARG A 15 -12.325 6.825 3.487 1.00 42.32 O ATOM 211 CB ARG A 15 -13.709 3.847 2.660 1.00 71.13 C ATOM 212 CG ARG A 15 -14.493 3.256 1.479 1.00 31.50 C ATOM 213 CD ARG A 15 -15.524 4.261 0.965 1.00 52.14 C ATOM 214 NE ARG A 15 -16.145 3.805 -0.284 1.00 11.02 N ATOM 215 CZ ARG A 15 -17.451 3.700 -0.538 1.00 11.10 C ATOM 216 NH1 ARG A 15 -18.354 4.271 0.257 1.00 74.12 N ATOM 217 NH2 ARG A 15 -17.836 2.988 -1.586 1.00 22.50 N ATOM 0 H ARG A 15 -11.644 3.085 1.553 1.00 41.14 H new ATOM 0 HA ARG A 15 -13.043 5.532 1.541 1.00 1.31 H new ATOM 0 HB2 ARG A 15 -13.268 3.034 3.236 1.00 71.13 H new ATOM 0 HB3 ARG A 15 -14.402 4.367 3.321 1.00 71.13 H new ATOM 0 HG2 ARG A 15 -13.806 2.988 0.676 1.00 31.50 H new ATOM 0 HG3 ARG A 15 -14.994 2.339 1.790 1.00 31.50 H new ATOM 0 HD2 ARG A 15 -16.294 4.412 1.721 1.00 52.14 H new ATOM 0 HD3 ARG A 15 -15.043 5.226 0.802 1.00 52.14 H new ATOM 0 HE ARG A 15 -15.511 3.540 -1.038 1.00 11.02 H new ATOM 0 HH11 ARG A 15 -18.052 4.799 1.076 1.00 74.12 H new ATOM 0 HH12 ARG A 15 -19.348 4.180 0.047 1.00 74.12 H new ATOM 0 HH21 ARG A 15 -17.140 2.535 -2.178 1.00 22.50 H new ATOM 0 HH22 ARG A 15 -18.829 2.893 -1.801 1.00 22.50 H new ATOM 228 N ARG A 16 -11.256 5.004 4.286 1.00 72.52 N ATOM 229 CA ARG A 16 -10.629 5.664 5.442 1.00 12.01 C ATOM 230 C ARG A 16 -9.605 6.717 5.037 1.00 42.22 C ATOM 231 O ARG A 16 -9.546 7.763 5.682 1.00 11.24 O ATOM 232 CB ARG A 16 -10.016 4.665 6.445 1.00 62.24 C ATOM 233 CG ARG A 16 -9.242 3.466 5.858 1.00 43.21 C ATOM 234 CD ARG A 16 -9.564 2.120 6.508 1.00 45.43 C ATOM 235 NE ARG A 16 -11.015 1.904 6.528 1.00 41.22 N ATOM 236 CZ ARG A 16 -11.676 0.954 7.175 1.00 55.45 C ATOM 237 NH1 ARG A 16 -11.022 -0.074 7.700 1.00 53.34 N ATOM 238 NH2 ARG A 16 -12.995 1.054 7.247 1.00 62.54 N ATOM 0 H ARG A 16 -11.032 4.011 4.218 1.00 72.52 H new ATOM 0 HA ARG A 16 -11.445 6.178 5.951 1.00 12.01 H new ATOM 0 HB2 ARG A 16 -9.341 5.215 7.101 1.00 62.24 H new ATOM 0 HB3 ARG A 16 -10.820 4.276 7.069 1.00 62.24 H new ATOM 0 HG2 ARG A 16 -9.456 3.400 4.791 1.00 43.21 H new ATOM 0 HG3 ARG A 16 -8.173 3.656 5.958 1.00 43.21 H new ATOM 0 HD2 ARG A 16 -9.076 1.316 5.957 1.00 45.43 H new ATOM 0 HD3 ARG A 16 -9.171 2.095 7.524 1.00 45.43 H new ATOM 0 HE ARG A 16 -11.578 2.557 5.984 1.00 41.22 H new ATOM 0 HH11 ARG A 16 -10.008 -0.135 7.606 1.00 53.34 H new ATOM 0 HH12 ARG A 16 -11.533 -0.803 8.197 1.00 53.34 H new ATOM 0 HH21 ARG A 16 -13.471 1.844 6.812 1.00 62.54 H new ATOM 0 HH22 ARG A 16 -13.535 0.341 7.737 1.00 62.54 H new ATOM 249 N ALA A 17 -8.801 6.457 4.009 1.00 62.42 N ATOM 250 CA ALA A 17 -7.774 7.385 3.562 1.00 33.50 C ATOM 251 C ALA A 17 -8.391 8.687 3.055 1.00 2.30 C ATOM 252 O ALA A 17 -7.977 9.780 3.449 1.00 62.31 O ATOM 253 CB ALA A 17 -6.972 6.717 2.454 1.00 55.22 C ATOM 0 H ALA A 17 -8.846 5.596 3.464 1.00 62.42 H new ATOM 0 HA ALA A 17 -7.124 7.635 4.401 1.00 33.50 H new ATOM 0 HB1 ALA A 17 -6.196 7.398 2.105 1.00 55.22 H new ATOM 0 HB2 ALA A 17 -6.511 5.807 2.837 1.00 55.22 H new ATOM 0 HB3 ALA A 17 -7.634 6.467 1.625 1.00 55.22 H new ATOM 259 N GLU A 18 -9.398 8.566 2.188 1.00 24.21 N ATOM 260 CA GLU A 18 -10.172 9.691 1.686 1.00 61.21 C ATOM 261 C GLU A 18 -10.837 10.435 2.849 1.00 61.32 C ATOM 262 O GLU A 18 -10.874 11.663 2.840 1.00 63.24 O ATOM 263 CB GLU A 18 -11.232 9.179 0.707 1.00 45.55 C ATOM 264 CG GLU A 18 -10.710 8.937 -0.718 1.00 62.11 C ATOM 265 CD GLU A 18 -11.825 8.442 -1.652 1.00 35.34 C ATOM 266 OE1 GLU A 18 -13.017 8.741 -1.405 1.00 41.13 O ATOM 267 OE2 GLU A 18 -11.521 7.731 -2.636 1.00 63.51 O ATOM 0 H GLU A 18 -9.699 7.667 1.812 1.00 24.21 H new ATOM 0 HA GLU A 18 -9.510 10.385 1.168 1.00 61.21 H new ATOM 0 HB2 GLU A 18 -11.647 8.248 1.093 1.00 45.55 H new ATOM 0 HB3 GLU A 18 -12.049 9.899 0.665 1.00 45.55 H new ATOM 0 HG2 GLU A 18 -10.287 9.861 -1.113 1.00 62.11 H new ATOM 0 HG3 GLU A 18 -9.904 8.203 -0.691 1.00 62.11 H new ATOM 272 N LEU A 19 -11.316 9.711 3.868 1.00 4.43 N ATOM 273 CA LEU A 19 -11.934 10.257 5.079 1.00 13.50 C ATOM 274 C LEU A 19 -11.002 11.212 5.810 1.00 62.23 C ATOM 275 O LEU A 19 -11.422 12.258 6.295 1.00 33.52 O ATOM 276 CB LEU A 19 -12.310 9.107 6.032 1.00 72.13 C ATOM 277 CG LEU A 19 -13.744 9.187 6.543 1.00 11.12 C ATOM 278 CD1 LEU A 19 -14.117 7.821 7.131 1.00 34.23 C ATOM 279 CD2 LEU A 19 -13.948 10.293 7.584 1.00 62.52 C ATOM 0 H LEU A 19 -11.282 8.692 3.870 1.00 4.43 H new ATOM 0 HA LEU A 19 -12.822 10.810 4.773 1.00 13.50 H new ATOM 0 HB2 LEU A 19 -12.169 8.157 5.516 1.00 72.13 H new ATOM 0 HB3 LEU A 19 -11.628 9.113 6.883 1.00 72.13 H new ATOM 0 HG LEU A 19 -14.393 9.442 5.706 1.00 11.12 H new ATOM 0 HD11 LEU A 19 -15.141 7.853 7.504 1.00 34.23 H new ATOM 0 HD12 LEU A 19 -14.036 7.058 6.357 1.00 34.23 H new ATOM 0 HD13 LEU A 19 -13.440 7.580 7.950 1.00 34.23 H new ATOM 0 HD21 LEU A 19 -14.988 10.299 7.909 1.00 62.52 H new ATOM 0 HD22 LEU A 19 -13.301 10.109 8.442 1.00 62.52 H new ATOM 0 HD23 LEU A 19 -13.700 11.258 7.143 1.00 62.52 H new ATOM 290 N GLY A 20 -9.729 10.844 5.907 1.00 33.41 N ATOM 291 CA GLY A 20 -8.701 11.707 6.474 1.00 14.55 C ATOM 292 C GLY A 20 -8.481 12.970 5.633 1.00 40.33 C ATOM 293 O GLY A 20 -8.121 14.016 6.176 1.00 74.22 O ATOM 0 H GLY A 20 -9.381 9.938 5.594 1.00 33.41 H new ATOM 0 HA2 GLY A 20 -8.985 11.991 7.487 1.00 14.55 H new ATOM 0 HA3 GLY A 20 -7.765 11.154 6.549 1.00 14.55 H new ATOM 297 N GLY A 21 -8.765 12.910 4.330 1.00 33.22 N ATOM 298 CA GLY A 21 -8.512 13.980 3.377 1.00 61.52 C ATOM 299 C GLY A 21 -7.249 13.723 2.556 1.00 24.53 C ATOM 300 O GLY A 21 -6.499 14.672 2.307 1.00 43.11 O ATOM 0 H GLY A 21 -9.190 12.088 3.901 1.00 33.22 H new ATOM 0 HA2 GLY A 21 -9.366 14.080 2.708 1.00 61.52 H new ATOM 0 HA3 GLY A 21 -8.413 14.925 3.910 1.00 61.52 H new ATOM 304 N ALA A 22 -6.997 12.472 2.150 1.00 53.02 N ATOM 305 CA ALA A 22 -5.990 12.129 1.149 1.00 45.01 C ATOM 306 C ALA A 22 -6.647 12.042 -0.228 1.00 41.03 C ATOM 307 O ALA A 22 -7.845 11.746 -0.329 1.00 33.24 O ATOM 308 CB ALA A 22 -5.368 10.763 1.473 1.00 1.34 C ATOM 0 H ALA A 22 -7.496 11.661 2.516 1.00 53.02 H new ATOM 0 HA ALA A 22 -5.218 12.898 1.154 1.00 45.01 H new ATOM 0 HB1 ALA A 22 -4.619 10.517 0.721 1.00 1.34 H new ATOM 0 HB2 ALA A 22 -4.897 10.801 2.455 1.00 1.34 H new ATOM 0 HB3 ALA A 22 -6.146 10.000 1.473 1.00 1.34 H new ATOM 314 N PHE A 23 -5.843 12.177 -1.283 1.00 44.45 N ATOM 315 CA PHE A 23 -6.205 11.735 -2.621 1.00 61.35 C ATOM 316 C PHE A 23 -5.747 10.282 -2.748 1.00 5.31 C ATOM 317 O PHE A 23 -4.687 9.981 -3.303 1.00 12.33 O ATOM 318 CB PHE A 23 -5.607 12.654 -3.692 1.00 32.11 C ATOM 319 CG PHE A 23 -6.276 12.447 -5.033 1.00 3.15 C ATOM 320 CD1 PHE A 23 -7.449 13.164 -5.330 1.00 72.12 C ATOM 321 CD2 PHE A 23 -5.775 11.507 -5.957 1.00 40.35 C ATOM 322 CE1 PHE A 23 -8.127 12.934 -6.535 1.00 35.25 C ATOM 323 CE2 PHE A 23 -6.454 11.283 -7.167 1.00 21.11 C ATOM 324 CZ PHE A 23 -7.634 11.993 -7.453 1.00 73.15 C ATOM 0 H PHE A 23 -4.916 12.600 -1.228 1.00 44.45 H new ATOM 0 HA PHE A 23 -7.282 11.789 -2.779 1.00 61.35 H new ATOM 0 HB2 PHE A 23 -5.718 13.694 -3.385 1.00 32.11 H new ATOM 0 HB3 PHE A 23 -4.538 12.461 -3.783 1.00 32.11 H new ATOM 0 HD1 PHE A 23 -7.828 13.893 -4.629 1.00 72.12 H new ATOM 0 HD2 PHE A 23 -4.871 10.960 -5.735 1.00 40.35 H new ATOM 0 HE1 PHE A 23 -9.031 13.482 -6.758 1.00 35.25 H new ATOM 0 HE2 PHE A 23 -6.070 10.566 -7.877 1.00 21.11 H new ATOM 0 HZ PHE A 23 -8.161 11.814 -8.379 1.00 73.15 H new ATOM 333 N ALA A 24 -6.513 9.372 -2.148 1.00 12.04 N ATOM 334 CA ALA A 24 -6.226 7.957 -2.227 1.00 60.34 C ATOM 335 C ALA A 24 -6.912 7.384 -3.460 1.00 23.40 C ATOM 336 O ALA A 24 -8.010 7.826 -3.798 1.00 52.43 O ATOM 337 CB ALA A 24 -6.702 7.271 -0.950 1.00 20.33 C ATOM 0 H ALA A 24 -7.342 9.601 -1.600 1.00 12.04 H new ATOM 0 HA ALA A 24 -5.153 7.787 -2.318 1.00 60.34 H new ATOM 0 HB1 ALA A 24 -6.486 6.204 -1.008 1.00 20.33 H new ATOM 0 HB2 ALA A 24 -6.184 7.700 -0.092 1.00 20.33 H new ATOM 0 HB3 ALA A 24 -7.776 7.418 -0.836 1.00 20.33 H new ATOM 343 N THR A 25 -6.328 6.371 -4.093 1.00 24.22 N ATOM 344 CA THR A 25 -7.013 5.574 -5.104 1.00 25.33 C ATOM 345 C THR A 25 -6.338 4.209 -5.248 1.00 63.53 C ATOM 346 O THR A 25 -5.243 3.968 -4.730 1.00 60.43 O ATOM 347 CB THR A 25 -7.147 6.350 -6.424 1.00 1.04 C ATOM 348 OG1 THR A 25 -8.257 5.863 -7.157 1.00 21.21 O ATOM 349 CG2 THR A 25 -5.881 6.322 -7.273 1.00 44.13 C ATOM 0 H THR A 25 -5.366 6.080 -3.919 1.00 24.22 H new ATOM 0 HA THR A 25 -8.035 5.377 -4.782 1.00 25.33 H new ATOM 0 HB THR A 25 -7.309 7.396 -6.164 1.00 1.04 H new ATOM 0 HG1 THR A 25 -8.339 6.362 -7.996 1.00 21.21 H new ATOM 0 HG21 THR A 25 -6.045 6.889 -8.190 1.00 44.13 H new ATOM 0 HG22 THR A 25 -5.058 6.767 -6.714 1.00 44.13 H new ATOM 0 HG23 THR A 25 -5.634 5.290 -7.523 1.00 44.13 H new ATOM 357 N VAL A 26 -7.033 3.281 -5.898 1.00 4.04 N ATOM 358 CA VAL A 26 -6.483 2.003 -6.307 1.00 33.34 C ATOM 359 C VAL A 26 -5.947 2.191 -7.723 1.00 12.24 C ATOM 360 O VAL A 26 -6.617 2.773 -8.572 1.00 41.31 O ATOM 361 CB VAL A 26 -7.531 0.887 -6.133 1.00 4.20 C ATOM 362 CG1 VAL A 26 -8.896 1.097 -6.800 1.00 4.12 C ATOM 363 CG2 VAL A 26 -6.977 -0.469 -6.584 1.00 34.51 C ATOM 0 H VAL A 26 -8.012 3.403 -6.158 1.00 4.04 H new ATOM 0 HA VAL A 26 -5.653 1.674 -5.682 1.00 33.34 H new ATOM 0 HB VAL A 26 -7.724 0.917 -5.061 1.00 4.20 H new ATOM 0 HG11 VAL A 26 -9.536 0.238 -6.598 1.00 4.12 H new ATOM 0 HG12 VAL A 26 -9.362 1.998 -6.400 1.00 4.12 H new ATOM 0 HG13 VAL A 26 -8.762 1.205 -7.876 1.00 4.12 H new ATOM 0 HG21 VAL A 26 -7.739 -1.236 -6.449 1.00 34.51 H new ATOM 0 HG22 VAL A 26 -6.697 -0.416 -7.636 1.00 34.51 H new ATOM 0 HG23 VAL A 26 -6.100 -0.720 -5.988 1.00 34.51 H new ATOM 373 N ALA A 27 -4.723 1.723 -7.962 1.00 23.11 N ATOM 374 CA ALA A 27 -3.991 1.907 -9.210 1.00 52.12 C ATOM 375 C ALA A 27 -3.667 0.575 -9.893 1.00 0.00 C ATOM 376 O ALA A 27 -3.004 0.545 -10.933 1.00 3.20 O ATOM 377 CB ALA A 27 -2.718 2.703 -8.915 1.00 12.05 C ATOM 0 H ALA A 27 -4.199 1.189 -7.269 1.00 23.11 H new ATOM 0 HA ALA A 27 -4.619 2.459 -9.909 1.00 52.12 H new ATOM 0 HB1 ALA A 27 -2.158 2.850 -9.839 1.00 12.05 H new ATOM 0 HB2 ALA A 27 -2.984 3.673 -8.494 1.00 12.05 H new ATOM 0 HB3 ALA A 27 -2.103 2.155 -8.201 1.00 12.05 H new ATOM 383 N ARG A 28 -4.076 -0.553 -9.306 1.00 21.10 N ATOM 384 CA ARG A 28 -3.930 -1.887 -9.879 1.00 25.42 C ATOM 385 C ARG A 28 -4.907 -2.797 -9.157 1.00 72.23 C ATOM 386 O ARG A 28 -5.057 -2.641 -7.941 1.00 24.23 O ATOM 387 CB ARG A 28 -2.493 -2.366 -9.687 1.00 74.11 C ATOM 388 CG ARG A 28 -2.040 -3.436 -10.670 1.00 14.13 C ATOM 389 CD ARG A 28 -0.516 -3.557 -10.596 1.00 31.13 C ATOM 390 NE ARG A 28 0.000 -4.205 -11.797 1.00 72.34 N ATOM 391 CZ ARG A 28 0.871 -3.710 -12.677 1.00 1.15 C ATOM 392 NH1 ARG A 28 1.580 -2.610 -12.437 1.00 60.51 N ATOM 393 NH2 ARG A 28 1.035 -4.368 -13.810 1.00 51.43 N ATOM 0 H ARG A 28 -4.530 -0.560 -8.393 1.00 21.10 H new ATOM 0 HA ARG A 28 -4.142 -1.888 -10.948 1.00 25.42 H new ATOM 0 HB2 ARG A 28 -1.825 -1.509 -9.771 1.00 74.11 H new ATOM 0 HB3 ARG A 28 -2.387 -2.755 -8.674 1.00 74.11 H new ATOM 0 HG2 ARG A 28 -2.507 -4.391 -10.430 1.00 14.13 H new ATOM 0 HG3 ARG A 28 -2.350 -3.175 -11.682 1.00 14.13 H new ATOM 0 HD2 ARG A 28 -0.071 -2.568 -10.489 1.00 31.13 H new ATOM 0 HD3 ARG A 28 -0.233 -4.132 -9.714 1.00 31.13 H new ATOM 0 HE ARG A 28 -0.346 -5.146 -11.985 1.00 72.34 H new ATOM 0 HH11 ARG A 28 1.467 -2.113 -11.553 1.00 60.51 H new ATOM 0 HH12 ARG A 28 2.236 -2.264 -13.137 1.00 60.51 H new ATOM 0 HH21 ARG A 28 0.505 -5.222 -13.985 1.00 51.43 H new ATOM 0 HH22 ARG A 28 1.692 -4.023 -14.510 1.00 51.43 H new ATOM 404 N LYS A 29 -5.515 -3.750 -9.858 1.00 44.44 N ATOM 405 CA LYS A 29 -6.544 -4.624 -9.309 1.00 32.12 C ATOM 406 C LYS A 29 -6.163 -6.060 -9.621 1.00 13.24 C ATOM 407 O LYS A 29 -6.521 -6.609 -10.668 1.00 2.00 O ATOM 408 CB LYS A 29 -7.932 -4.202 -9.807 1.00 12.40 C ATOM 409 CG LYS A 29 -9.030 -5.165 -9.324 1.00 51.01 C ATOM 410 CD LYS A 29 -10.360 -4.455 -9.039 1.00 54.24 C ATOM 411 CE LYS A 29 -10.933 -3.716 -10.251 1.00 42.43 C ATOM 412 NZ LYS A 29 -11.187 -4.603 -11.401 1.00 40.24 N ATOM 0 H LYS A 29 -5.303 -3.938 -10.838 1.00 44.44 H new ATOM 0 HA LYS A 29 -6.606 -4.539 -8.224 1.00 32.12 H new ATOM 0 HB2 LYS A 29 -8.153 -3.194 -9.456 1.00 12.40 H new ATOM 0 HB3 LYS A 29 -7.932 -4.168 -10.896 1.00 12.40 H new ATOM 0 HG2 LYS A 29 -9.189 -5.935 -10.079 1.00 51.01 H new ATOM 0 HG3 LYS A 29 -8.692 -5.670 -8.419 1.00 51.01 H new ATOM 0 HD2 LYS A 29 -11.088 -5.190 -8.695 1.00 54.24 H new ATOM 0 HD3 LYS A 29 -10.216 -3.744 -8.226 1.00 54.24 H new ATOM 0 HE2 LYS A 29 -11.864 -3.227 -9.964 1.00 42.43 H new ATOM 0 HE3 LYS A 29 -10.240 -2.931 -10.552 1.00 42.43 H new ATOM 0 HZ1 LYS A 29 -11.590 -4.050 -12.184 1.00 40.24 H new ATOM 0 HZ2 LYS A 29 -10.294 -5.038 -11.708 1.00 40.24 H new ATOM 0 HZ3 LYS A 29 -11.857 -5.348 -11.123 1.00 40.24 H new ATOM 422 N GLY A 30 -5.407 -6.641 -8.696 1.00 11.12 N ATOM 423 CA GLY A 30 -5.044 -8.040 -8.706 1.00 43.14 C ATOM 424 C GLY A 30 -6.254 -8.923 -8.414 1.00 31.42 C ATOM 425 O GLY A 30 -7.408 -8.525 -8.582 1.00 1.31 O ATOM 0 H GLY A 30 -5.023 -6.132 -7.900 1.00 11.12 H new ATOM 0 HA2 GLY A 30 -4.624 -8.303 -9.677 1.00 43.14 H new ATOM 0 HA3 GLY A 30 -4.268 -8.223 -7.962 1.00 43.14 H new ATOM 429 N ASP A 31 -5.989 -10.148 -7.967 1.00 55.03 N ATOM 430 CA ASP A 31 -7.032 -11.115 -7.657 1.00 2.53 C ATOM 431 C ASP A 31 -7.870 -10.604 -6.486 1.00 42.02 C ATOM 432 O ASP A 31 -7.298 -10.148 -5.494 1.00 12.10 O ATOM 433 CB ASP A 31 -6.416 -12.449 -7.243 1.00 21.22 C ATOM 434 CG ASP A 31 -7.400 -13.573 -7.474 1.00 25.24 C ATOM 435 OD1 ASP A 31 -8.349 -13.695 -6.663 1.00 2.04 O ATOM 436 OD2 ASP A 31 -7.279 -14.274 -8.503 1.00 42.05 O ATOM 0 H ASP A 31 -5.043 -10.496 -7.810 1.00 55.03 H new ATOM 0 HA ASP A 31 -7.648 -11.250 -8.546 1.00 2.53 H new ATOM 0 HB2 ASP A 31 -5.505 -12.630 -7.814 1.00 21.22 H new ATOM 0 HB3 ASP A 31 -6.131 -12.416 -6.191 1.00 21.22 H new ATOM 440 N ALA A 32 -9.200 -10.687 -6.552 1.00 64.22 N ATOM 441 CA ALA A 32 -10.047 -10.240 -5.449 1.00 4.30 C ATOM 442 C ALA A 32 -10.058 -11.202 -4.253 1.00 55.34 C ATOM 443 O ALA A 32 -10.494 -10.794 -3.169 1.00 14.01 O ATOM 444 CB ALA A 32 -11.470 -10.000 -5.947 1.00 5.43 C ATOM 0 H ALA A 32 -9.710 -11.058 -7.354 1.00 64.22 H new ATOM 0 HA ALA A 32 -9.615 -9.308 -5.086 1.00 4.30 H new ATOM 0 HB1 ALA A 32 -12.094 -9.667 -5.118 1.00 5.43 H new ATOM 0 HB2 ALA A 32 -11.460 -9.235 -6.723 1.00 5.43 H new ATOM 0 HB3 ALA A 32 -11.874 -10.926 -6.356 1.00 5.43 H new ATOM 450 N ARG A 33 -9.609 -12.452 -4.418 1.00 14.11 N ATOM 451 CA ARG A 33 -9.405 -13.406 -3.331 1.00 1.43 C ATOM 452 C ARG A 33 -7.928 -13.499 -2.993 1.00 34.30 C ATOM 453 O ARG A 33 -7.589 -13.436 -1.815 1.00 60.41 O ATOM 454 CB ARG A 33 -9.895 -14.818 -3.705 1.00 4.23 C ATOM 455 CG ARG A 33 -11.405 -15.049 -3.550 1.00 33.50 C ATOM 456 CD ARG A 33 -12.261 -14.610 -4.743 1.00 72.35 C ATOM 457 NE ARG A 33 -11.928 -15.330 -5.984 1.00 62.52 N ATOM 458 CZ ARG A 33 -12.458 -16.466 -6.458 1.00 52.12 C ATOM 459 NH1 ARG A 33 -13.267 -17.231 -5.727 1.00 64.23 N ATOM 460 NH2 ARG A 33 -12.160 -16.822 -7.700 1.00 63.42 N ATOM 0 H ARG A 33 -9.373 -12.833 -5.334 1.00 14.11 H new ATOM 0 HA ARG A 33 -9.980 -13.044 -2.479 1.00 1.43 H new ATOM 0 HB2 ARG A 33 -9.617 -15.019 -4.740 1.00 4.23 H new ATOM 0 HB3 ARG A 33 -9.367 -15.544 -3.086 1.00 4.23 H new ATOM 0 HG2 ARG A 33 -11.577 -16.110 -3.372 1.00 33.50 H new ATOM 0 HG3 ARG A 33 -11.748 -14.517 -2.663 1.00 33.50 H new ATOM 0 HD2 ARG A 33 -13.313 -14.770 -4.507 1.00 72.35 H new ATOM 0 HD3 ARG A 33 -12.130 -13.540 -4.904 1.00 72.35 H new ATOM 0 HE ARG A 33 -11.198 -14.909 -6.558 1.00 62.52 H new ATOM 0 HH11 ARG A 33 -13.502 -16.959 -4.773 1.00 64.23 H new ATOM 0 HH12 ARG A 33 -13.652 -18.089 -6.122 1.00 64.23 H new ATOM 0 HH21 ARG A 33 -11.544 -16.237 -8.264 1.00 63.42 H new ATOM 0 HH22 ARG A 33 -12.547 -17.681 -8.091 1.00 63.42 H new ATOM 471 N ALA A 34 -7.071 -13.745 -3.985 1.00 25.51 N ATOM 472 CA ALA A 34 -5.734 -14.295 -3.781 1.00 44.03 C ATOM 473 C ALA A 34 -4.672 -13.454 -4.474 1.00 53.13 C ATOM 474 O ALA A 34 -3.798 -13.973 -5.175 1.00 72.32 O ATOM 475 CB ALA A 34 -5.717 -15.773 -4.198 1.00 63.24 C ATOM 0 H ALA A 34 -7.291 -13.565 -4.965 1.00 25.51 H new ATOM 0 HA ALA A 34 -5.481 -14.255 -2.721 1.00 44.03 H new ATOM 0 HB1 ALA A 34 -4.719 -16.183 -4.045 1.00 63.24 H new ATOM 0 HB2 ALA A 34 -6.434 -16.330 -3.594 1.00 63.24 H new ATOM 0 HB3 ALA A 34 -5.987 -15.857 -5.251 1.00 63.24 H new ATOM 481 N GLY A 35 -4.788 -12.141 -4.302 1.00 53.01 N ATOM 482 CA GLY A 35 -3.879 -11.169 -4.864 1.00 33.10 C ATOM 483 C GLY A 35 -3.132 -10.501 -3.721 1.00 61.21 C ATOM 484 O GLY A 35 -3.656 -10.398 -2.603 1.00 62.53 O ATOM 0 H GLY A 35 -5.538 -11.721 -3.753 1.00 53.01 H new ATOM 0 HA2 GLY A 35 -3.178 -11.653 -5.545 1.00 33.10 H new ATOM 0 HA3 GLY A 35 -4.427 -10.427 -5.445 1.00 33.10 H new ATOM 488 N ALA A 36 -1.911 -10.063 -4.007 1.00 3.01 N ATOM 489 CA ALA A 36 -1.085 -9.310 -3.066 1.00 11.13 C ATOM 490 C ALA A 36 -1.434 -7.817 -3.139 1.00 64.14 C ATOM 491 O ALA A 36 -2.199 -7.418 -4.020 1.00 24.25 O ATOM 492 CB ALA A 36 0.389 -9.560 -3.387 1.00 11.23 C ATOM 0 H ALA A 36 -1.461 -10.222 -4.908 1.00 3.01 H new ATOM 0 HA ALA A 36 -1.279 -9.642 -2.046 1.00 11.13 H new ATOM 0 HB1 ALA A 36 1.013 -9.002 -2.689 1.00 11.23 H new ATOM 0 HB2 ALA A 36 0.606 -10.624 -3.296 1.00 11.23 H new ATOM 0 HB3 ALA A 36 0.600 -9.232 -4.405 1.00 11.23 H new ATOM 498 N VAL A 37 -0.865 -6.976 -2.271 1.00 51.34 N ATOM 499 CA VAL A 37 -1.153 -5.541 -2.216 1.00 11.43 C ATOM 500 C VAL A 37 0.125 -4.739 -1.942 1.00 31.12 C ATOM 501 O VAL A 37 0.905 -5.086 -1.054 1.00 41.22 O ATOM 502 CB VAL A 37 -2.209 -5.257 -1.122 1.00 4.10 C ATOM 503 CG1 VAL A 37 -2.726 -3.810 -1.188 1.00 32.43 C ATOM 504 CG2 VAL A 37 -3.440 -6.168 -1.184 1.00 41.35 C ATOM 0 H VAL A 37 -0.181 -7.278 -1.577 1.00 51.34 H new ATOM 0 HA VAL A 37 -1.549 -5.230 -3.183 1.00 11.43 H new ATOM 0 HB VAL A 37 -1.672 -5.448 -0.193 1.00 4.10 H new ATOM 0 HG11 VAL A 37 -3.466 -3.652 -0.403 1.00 32.43 H new ATOM 0 HG12 VAL A 37 -1.894 -3.120 -1.047 1.00 32.43 H new ATOM 0 HG13 VAL A 37 -3.185 -3.632 -2.160 1.00 32.43 H new ATOM 0 HG21 VAL A 37 -4.130 -5.902 -0.383 1.00 41.35 H new ATOM 0 HG22 VAL A 37 -3.936 -6.044 -2.146 1.00 41.35 H new ATOM 0 HG23 VAL A 37 -3.130 -7.206 -1.067 1.00 41.35 H new ATOM 514 N LEU A 38 0.290 -3.616 -2.650 1.00 53.32 N ATOM 515 CA LEU A 38 1.240 -2.551 -2.331 1.00 2.11 C ATOM 516 C LEU A 38 0.496 -1.345 -1.776 1.00 34.41 C ATOM 517 O LEU A 38 -0.657 -1.109 -2.147 1.00 54.14 O ATOM 518 CB LEU A 38 1.988 -2.084 -3.587 1.00 42.52 C ATOM 519 CG LEU A 38 2.749 -3.179 -4.338 1.00 41.01 C ATOM 520 CD1 LEU A 38 3.592 -2.519 -5.427 1.00 33.44 C ATOM 521 CD2 LEU A 38 3.661 -3.965 -3.402 1.00 11.42 C ATOM 0 H LEU A 38 -0.255 -3.419 -3.490 1.00 53.32 H new ATOM 0 HA LEU A 38 1.946 -2.950 -1.603 1.00 2.11 H new ATOM 0 HB2 LEU A 38 1.270 -1.629 -4.270 1.00 42.52 H new ATOM 0 HB3 LEU A 38 2.694 -1.304 -3.301 1.00 42.52 H new ATOM 0 HG LEU A 38 2.030 -3.875 -4.769 1.00 41.01 H new ATOM 0 HD11 LEU A 38 4.143 -3.284 -5.974 1.00 33.44 H new ATOM 0 HD12 LEU A 38 2.941 -1.979 -6.114 1.00 33.44 H new ATOM 0 HD13 LEU A 38 4.295 -1.822 -4.971 1.00 33.44 H new ATOM 0 HD21 LEU A 38 4.186 -4.735 -3.967 1.00 11.42 H new ATOM 0 HD22 LEU A 38 4.386 -3.289 -2.948 1.00 11.42 H new ATOM 0 HD23 LEU A 38 3.063 -4.434 -2.620 1.00 11.42 H new ATOM 532 N VAL A 39 1.176 -0.553 -0.944 1.00 12.44 N ATOM 533 CA VAL A 39 0.650 0.708 -0.423 1.00 33.31 C ATOM 534 C VAL A 39 1.760 1.757 -0.472 1.00 2.02 C ATOM 535 O VAL A 39 2.698 1.705 0.323 1.00 2.01 O ATOM 536 CB VAL A 39 0.057 0.542 0.991 1.00 12.25 C ATOM 537 CG1 VAL A 39 -0.562 1.868 1.472 1.00 1.40 C ATOM 538 CG2 VAL A 39 -1.031 -0.541 1.038 1.00 2.03 C ATOM 0 H VAL A 39 2.115 -0.772 -0.611 1.00 12.44 H new ATOM 0 HA VAL A 39 -0.179 1.043 -1.047 1.00 33.31 H new ATOM 0 HB VAL A 39 0.879 0.244 1.641 1.00 12.25 H new ATOM 0 HG11 VAL A 39 -0.976 1.735 2.471 1.00 1.40 H new ATOM 0 HG12 VAL A 39 0.207 2.640 1.498 1.00 1.40 H new ATOM 0 HG13 VAL A 39 -1.355 2.169 0.788 1.00 1.40 H new ATOM 0 HG21 VAL A 39 -1.419 -0.623 2.053 1.00 2.03 H new ATOM 0 HG22 VAL A 39 -1.841 -0.273 0.360 1.00 2.03 H new ATOM 0 HG23 VAL A 39 -0.606 -1.498 0.734 1.00 2.03 H new ATOM 548 N LYS A 40 1.679 2.718 -1.389 1.00 72.23 N ATOM 549 CA LYS A 40 2.593 3.853 -1.447 1.00 13.04 C ATOM 550 C LYS A 40 1.944 5.019 -0.699 1.00 4.35 C ATOM 551 O LYS A 40 0.716 5.109 -0.624 1.00 21.52 O ATOM 552 CB LYS A 40 2.911 4.129 -2.920 1.00 42.14 C ATOM 553 CG LYS A 40 3.961 5.228 -3.169 1.00 55.24 C ATOM 554 CD LYS A 40 4.392 5.288 -4.650 1.00 53.43 C ATOM 555 CE LYS A 40 3.967 6.599 -5.328 1.00 15.10 C ATOM 556 NZ LYS A 40 3.388 6.373 -6.672 1.00 54.25 N ATOM 0 H LYS A 40 0.968 2.729 -2.121 1.00 72.23 H new ATOM 0 HA LYS A 40 3.549 3.667 -0.957 1.00 13.04 H new ATOM 0 HB2 LYS A 40 3.260 3.204 -3.379 1.00 42.14 H new ATOM 0 HB3 LYS A 40 1.988 4.409 -3.428 1.00 42.14 H new ATOM 0 HG2 LYS A 40 3.553 6.194 -2.870 1.00 55.24 H new ATOM 0 HG3 LYS A 40 4.835 5.044 -2.544 1.00 55.24 H new ATOM 0 HD2 LYS A 40 5.475 5.182 -4.716 1.00 53.43 H new ATOM 0 HD3 LYS A 40 3.956 4.446 -5.187 1.00 53.43 H new ATOM 0 HE2 LYS A 40 3.236 7.110 -4.701 1.00 15.10 H new ATOM 0 HE3 LYS A 40 4.831 7.259 -5.413 1.00 15.10 H new ATOM 0 HZ1 LYS A 40 3.147 7.288 -7.105 1.00 54.25 H new ATOM 0 HZ2 LYS A 40 4.081 5.879 -7.270 1.00 54.25 H new ATOM 0 HZ3 LYS A 40 2.529 5.793 -6.587 1.00 54.25 H new ATOM 566 N ALA A 41 2.764 5.858 -0.072 1.00 54.25 N ATOM 567 CA ALA A 41 2.346 6.897 0.858 1.00 60.42 C ATOM 568 C ALA A 41 3.180 8.134 0.541 1.00 11.40 C ATOM 569 O ALA A 41 4.385 8.146 0.787 1.00 2.11 O ATOM 570 CB ALA A 41 2.562 6.410 2.299 1.00 21.13 C ATOM 0 H ALA A 41 3.775 5.830 -0.204 1.00 54.25 H new ATOM 0 HA ALA A 41 1.287 7.136 0.759 1.00 60.42 H new ATOM 0 HB1 ALA A 41 2.249 7.187 2.996 1.00 21.13 H new ATOM 0 HB2 ALA A 41 1.972 5.510 2.471 1.00 21.13 H new ATOM 0 HB3 ALA A 41 3.618 6.187 2.453 1.00 21.13 H new ATOM 576 N VAL A 42 2.576 9.147 -0.070 1.00 24.14 N ATOM 577 CA VAL A 42 3.283 10.296 -0.615 1.00 3.44 C ATOM 578 C VAL A 42 2.838 11.512 0.192 1.00 53.03 C ATOM 579 O VAL A 42 1.649 11.833 0.230 1.00 22.55 O ATOM 580 CB VAL A 42 3.014 10.398 -2.130 1.00 75.12 C ATOM 581 CG1 VAL A 42 3.893 11.473 -2.777 1.00 24.23 C ATOM 582 CG2 VAL A 42 3.334 9.081 -2.854 1.00 74.41 C ATOM 0 H VAL A 42 1.566 9.192 -0.202 1.00 24.14 H new ATOM 0 HA VAL A 42 4.366 10.212 -0.525 1.00 3.44 H new ATOM 0 HB VAL A 42 1.956 10.643 -2.228 1.00 75.12 H new ATOM 0 HG11 VAL A 42 3.681 11.522 -3.845 1.00 24.23 H new ATOM 0 HG12 VAL A 42 3.681 12.440 -2.320 1.00 24.23 H new ATOM 0 HG13 VAL A 42 4.943 11.223 -2.626 1.00 24.23 H new ATOM 0 HG21 VAL A 42 3.132 9.193 -3.919 1.00 74.41 H new ATOM 0 HG22 VAL A 42 4.385 8.832 -2.709 1.00 74.41 H new ATOM 0 HG23 VAL A 42 2.712 8.283 -2.449 1.00 74.41 H new ATOM 592 N ASP A 43 3.783 12.164 0.868 1.00 63.25 N ATOM 593 CA ASP A 43 3.566 13.353 1.686 1.00 40.22 C ATOM 594 C ASP A 43 3.775 14.595 0.818 1.00 13.04 C ATOM 595 O ASP A 43 4.892 15.107 0.684 1.00 12.33 O ATOM 596 CB ASP A 43 4.543 13.362 2.871 1.00 35.11 C ATOM 597 CG ASP A 43 4.233 14.490 3.862 1.00 4.20 C ATOM 598 OD1 ASP A 43 3.958 15.627 3.418 1.00 2.50 O ATOM 599 OD2 ASP A 43 4.288 14.213 5.082 1.00 61.41 O ATOM 0 H ASP A 43 4.758 11.865 0.859 1.00 63.25 H new ATOM 0 HA ASP A 43 2.549 13.350 2.079 1.00 40.22 H new ATOM 0 HB2 ASP A 43 4.496 12.403 3.387 1.00 35.11 H new ATOM 0 HB3 ASP A 43 5.562 13.475 2.500 1.00 35.11 H new ATOM 603 N ARG A 44 2.730 15.091 0.156 1.00 42.41 N ATOM 604 CA ARG A 44 2.831 16.324 -0.636 1.00 52.52 C ATOM 605 C ARG A 44 2.835 17.580 0.247 1.00 53.13 C ATOM 606 O ARG A 44 2.877 18.683 -0.290 1.00 5.14 O ATOM 607 CB ARG A 44 1.714 16.364 -1.700 1.00 41.41 C ATOM 608 CG ARG A 44 1.886 15.273 -2.772 1.00 41.32 C ATOM 609 CD ARG A 44 2.893 15.675 -3.836 1.00 3.03 C ATOM 610 NE ARG A 44 2.302 16.627 -4.779 1.00 64.41 N ATOM 611 CZ ARG A 44 2.928 17.585 -5.460 1.00 62.34 C ATOM 612 NH1 ARG A 44 4.240 17.761 -5.353 1.00 55.34 N ATOM 613 NH2 ARG A 44 2.199 18.356 -6.254 1.00 3.13 N ATOM 0 H ARG A 44 1.805 14.662 0.150 1.00 42.41 H new ATOM 0 HA ARG A 44 3.791 16.318 -1.152 1.00 52.52 H new ATOM 0 HB2 ARG A 44 0.747 16.241 -1.212 1.00 41.41 H new ATOM 0 HB3 ARG A 44 1.707 17.343 -2.179 1.00 41.41 H new ATOM 0 HG2 ARG A 44 2.210 14.347 -2.298 1.00 41.32 H new ATOM 0 HG3 ARG A 44 0.923 15.071 -3.242 1.00 41.32 H new ATOM 0 HD2 ARG A 44 3.769 16.120 -3.364 1.00 3.03 H new ATOM 0 HD3 ARG A 44 3.235 14.790 -4.372 1.00 3.03 H new ATOM 0 HE ARG A 44 1.297 16.547 -4.931 1.00 64.41 H new ATOM 0 HH11 ARG A 44 4.787 17.156 -4.740 1.00 55.34 H new ATOM 0 HH12 ARG A 44 4.700 18.501 -5.883 1.00 55.34 H new ATOM 0 HH21 ARG A 44 1.193 18.205 -6.328 1.00 3.13 H new ATOM 0 HH22 ARG A 44 2.644 19.100 -6.791 1.00 3.13 H new ATOM 624 N ARG A 45 2.746 17.466 1.583 1.00 61.33 N ATOM 625 CA ARG A 45 2.775 18.631 2.458 1.00 41.45 C ATOM 626 C ARG A 45 4.228 19.052 2.635 1.00 11.43 C ATOM 627 O ARG A 45 4.564 20.208 2.381 1.00 63.41 O ATOM 628 CB ARG A 45 2.117 18.310 3.816 1.00 63.44 C ATOM 629 CG ARG A 45 1.130 19.411 4.212 1.00 4.32 C ATOM 630 CD ARG A 45 0.809 19.311 5.712 1.00 2.33 C ATOM 631 NE ARG A 45 -0.334 20.121 6.190 1.00 71.14 N ATOM 632 CZ ARG A 45 -0.746 21.353 5.858 1.00 34.20 C ATOM 633 NH1 ARG A 45 -0.023 22.146 5.075 1.00 44.53 N ATOM 634 NH2 ARG A 45 -1.908 21.788 6.328 1.00 72.34 N ATOM 0 H ARG A 45 2.654 16.576 2.072 1.00 61.33 H new ATOM 0 HA ARG A 45 2.207 19.449 2.015 1.00 41.45 H new ATOM 0 HB2 ARG A 45 1.598 17.353 3.757 1.00 63.44 H new ATOM 0 HB3 ARG A 45 2.885 18.210 4.583 1.00 63.44 H new ATOM 0 HG2 ARG A 45 1.554 20.390 3.986 1.00 4.32 H new ATOM 0 HG3 ARG A 45 0.214 19.318 3.628 1.00 4.32 H new ATOM 0 HD2 ARG A 45 0.613 18.266 5.952 1.00 2.33 H new ATOM 0 HD3 ARG A 45 1.696 19.605 6.273 1.00 2.33 H new ATOM 0 HE ARG A 45 -0.909 19.661 6.896 1.00 71.14 H new ATOM 0 HH11 ARG A 45 0.872 21.822 4.709 1.00 44.53 H new ATOM 0 HH12 ARG A 45 -0.363 23.078 4.840 1.00 44.53 H new ATOM 0 HH21 ARG A 45 -2.471 21.188 6.931 1.00 72.34 H new ATOM 0 HH22 ARG A 45 -2.238 22.722 6.086 1.00 72.34 H new ATOM 645 N GLU A 46 5.067 18.122 3.079 1.00 25.11 N ATOM 646 CA GLU A 46 6.493 18.303 3.293 1.00 42.41 C ATOM 647 C GLU A 46 7.266 18.101 1.994 1.00 33.40 C ATOM 648 O GLU A 46 8.373 18.621 1.864 1.00 71.24 O ATOM 649 CB GLU A 46 7.007 17.302 4.345 1.00 1.54 C ATOM 650 CG GLU A 46 6.194 17.357 5.643 1.00 2.32 C ATOM 651 CD GLU A 46 6.945 16.819 6.855 1.00 72.12 C ATOM 652 OE1 GLU A 46 6.994 15.589 7.087 1.00 3.32 O ATOM 653 OE2 GLU A 46 7.502 17.638 7.627 1.00 44.11 O ATOM 0 H GLU A 46 4.754 17.179 3.309 1.00 25.11 H new ATOM 0 HA GLU A 46 6.651 19.321 3.648 1.00 42.41 H new ATOM 0 HB2 GLU A 46 6.965 16.293 3.935 1.00 1.54 H new ATOM 0 HB3 GLU A 46 8.053 17.514 4.565 1.00 1.54 H new ATOM 0 HG2 GLU A 46 5.902 18.389 5.836 1.00 2.32 H new ATOM 0 HG3 GLU A 46 5.276 16.785 5.511 1.00 2.32 H new ATOM 658 N GLY A 47 6.715 17.359 1.032 1.00 3.24 N ATOM 659 CA GLY A 47 7.429 16.975 -0.174 1.00 22.40 C ATOM 660 C GLY A 47 8.317 15.759 0.088 1.00 22.10 C ATOM 661 O GLY A 47 9.469 15.765 -0.349 1.00 23.10 O ATOM 0 H GLY A 47 5.758 17.009 1.073 1.00 3.24 H new ATOM 0 HA2 GLY A 47 6.717 16.747 -0.967 1.00 22.40 H new ATOM 0 HA3 GLY A 47 8.039 17.809 -0.523 1.00 22.40 H new ATOM 665 N THR A 48 7.800 14.748 0.796 1.00 53.25 N ATOM 666 CA THR A 48 8.453 13.462 1.044 1.00 20.42 C ATOM 667 C THR A 48 7.584 12.295 0.530 1.00 54.21 C ATOM 668 O THR A 48 6.477 12.518 0.030 1.00 11.11 O ATOM 669 CB THR A 48 8.853 13.357 2.533 1.00 3.30 C ATOM 670 OG1 THR A 48 7.853 13.740 3.457 1.00 51.52 O ATOM 671 CG2 THR A 48 10.022 14.292 2.828 1.00 43.12 C ATOM 0 H THR A 48 6.878 14.808 1.228 1.00 53.25 H new ATOM 0 HA THR A 48 9.380 13.395 0.475 1.00 20.42 H new ATOM 0 HB THR A 48 9.075 12.298 2.663 1.00 3.30 H new ATOM 0 HG1 THR A 48 8.195 13.639 4.370 1.00 51.52 H new ATOM 0 HG21 THR A 48 10.296 14.211 3.880 1.00 43.12 H new ATOM 0 HG22 THR A 48 10.875 14.015 2.208 1.00 43.12 H new ATOM 0 HG23 THR A 48 9.731 15.319 2.607 1.00 43.12 H new ATOM 679 N ALA A 49 8.053 11.043 0.598 1.00 55.54 N ATOM 680 CA ALA A 49 7.264 9.852 0.282 1.00 40.23 C ATOM 681 C ALA A 49 7.842 8.628 0.996 1.00 63.24 C ATOM 682 O ALA A 49 8.955 8.679 1.519 1.00 64.24 O ATOM 683 CB ALA A 49 7.278 9.595 -1.232 1.00 72.21 C ATOM 0 H ALA A 49 9.010 10.828 0.880 1.00 55.54 H new ATOM 0 HA ALA A 49 6.241 10.021 0.617 1.00 40.23 H new ATOM 0 HB1 ALA A 49 6.688 8.706 -1.456 1.00 72.21 H new ATOM 0 HB2 ALA A 49 6.852 10.454 -1.751 1.00 72.21 H new ATOM 0 HB3 ALA A 49 8.304 9.442 -1.566 1.00 72.21 H new ATOM 689 N ARG A 50 7.103 7.518 0.975 1.00 12.02 N ATOM 690 CA ARG A 50 7.518 6.167 1.342 1.00 14.05 C ATOM 691 C ARG A 50 6.699 5.151 0.550 1.00 1.14 C ATOM 692 O ARG A 50 5.672 5.506 -0.035 1.00 40.01 O ATOM 693 CB ARG A 50 7.287 5.978 2.846 1.00 24.40 C ATOM 694 CG ARG A 50 8.605 5.969 3.620 1.00 62.23 C ATOM 695 CD ARG A 50 8.342 6.349 5.074 1.00 5.42 C ATOM 696 NE ARG A 50 8.391 7.806 5.275 1.00 5.03 N ATOM 697 CZ ARG A 50 8.249 8.424 6.454 1.00 21.44 C ATOM 698 NH1 ARG A 50 8.128 7.717 7.575 1.00 40.03 N ATOM 699 NH2 ARG A 50 8.234 9.750 6.501 1.00 44.34 N ATOM 0 H ARG A 50 6.127 7.544 0.679 1.00 12.02 H new ATOM 0 HA ARG A 50 8.573 6.019 1.113 1.00 14.05 H new ATOM 0 HB2 ARG A 50 6.650 6.779 3.220 1.00 24.40 H new ATOM 0 HB3 ARG A 50 6.756 5.042 3.019 1.00 24.40 H new ATOM 0 HG2 ARG A 50 9.063 4.981 3.568 1.00 62.23 H new ATOM 0 HG3 ARG A 50 9.308 6.671 3.171 1.00 62.23 H new ATOM 0 HD2 ARG A 50 7.365 5.973 5.377 1.00 5.42 H new ATOM 0 HD3 ARG A 50 9.081 5.868 5.715 1.00 5.42 H new ATOM 0 HE ARG A 50 8.545 8.390 4.453 1.00 5.03 H new ATOM 0 HH11 ARG A 50 8.143 6.698 7.539 1.00 40.03 H new ATOM 0 HH12 ARG A 50 8.020 8.194 8.470 1.00 40.03 H new ATOM 0 HH21 ARG A 50 8.330 10.292 5.642 1.00 44.34 H new ATOM 0 HH22 ARG A 50 8.126 10.227 7.396 1.00 44.34 H new ATOM 710 N LEU A 51 7.103 3.879 0.560 1.00 40.45 N ATOM 711 CA LEU A 51 6.378 2.812 -0.124 1.00 3.35 C ATOM 712 C LEU A 51 6.457 1.543 0.700 1.00 2.10 C ATOM 713 O LEU A 51 7.533 1.174 1.172 1.00 11.21 O ATOM 714 CB LEU A 51 6.988 2.587 -1.508 1.00 73.11 C ATOM 715 CG LEU A 51 6.041 2.099 -2.611 1.00 42.01 C ATOM 716 CD1 LEU A 51 6.900 1.940 -3.840 1.00 51.24 C ATOM 717 CD2 LEU A 51 5.300 0.777 -2.462 1.00 55.14 C ATOM 0 H LEU A 51 7.943 3.562 1.044 1.00 40.45 H new ATOM 0 HA LEU A 51 5.331 3.092 -0.242 1.00 3.35 H new ATOM 0 HB2 LEU A 51 7.438 3.524 -1.837 1.00 73.11 H new ATOM 0 HB3 LEU A 51 7.796 1.862 -1.409 1.00 73.11 H new ATOM 0 HG LEU A 51 5.245 2.844 -2.613 1.00 42.01 H new ATOM 0 HD11 LEU A 51 6.286 1.592 -4.671 1.00 51.24 H new ATOM 0 HD12 LEU A 51 7.349 2.900 -4.097 1.00 51.24 H new ATOM 0 HD13 LEU A 51 7.688 1.213 -3.642 1.00 51.24 H new ATOM 0 HD21 LEU A 51 4.681 0.606 -3.342 1.00 55.14 H new ATOM 0 HD22 LEU A 51 6.021 -0.035 -2.362 1.00 55.14 H new ATOM 0 HD23 LEU A 51 4.668 0.812 -1.575 1.00 55.14 H new ATOM 728 N PHE A 52 5.322 0.873 0.856 1.00 32.53 N ATOM 729 CA PHE A 52 5.181 -0.314 1.671 1.00 14.00 C ATOM 730 C PHE A 52 4.670 -1.451 0.783 1.00 74.41 C ATOM 731 O PHE A 52 3.921 -1.236 -0.172 1.00 71.33 O ATOM 732 CB PHE A 52 4.195 -0.032 2.815 1.00 20.13 C ATOM 733 CG PHE A 52 4.591 1.147 3.690 1.00 55.53 C ATOM 734 CD1 PHE A 52 4.284 2.468 3.299 1.00 43.21 C ATOM 735 CD2 PHE A 52 5.294 0.930 4.890 1.00 12.24 C ATOM 736 CE1 PHE A 52 4.688 3.557 4.091 1.00 64.52 C ATOM 737 CE2 PHE A 52 5.680 2.022 5.688 1.00 4.20 C ATOM 738 CZ PHE A 52 5.389 3.336 5.287 1.00 74.31 C ATOM 0 H PHE A 52 4.452 1.154 0.403 1.00 32.53 H new ATOM 0 HA PHE A 52 6.139 -0.599 2.106 1.00 14.00 H new ATOM 0 HB2 PHE A 52 3.208 0.156 2.393 1.00 20.13 H new ATOM 0 HB3 PHE A 52 4.111 -0.923 3.438 1.00 20.13 H new ATOM 0 HD1 PHE A 52 3.735 2.643 2.386 1.00 43.21 H new ATOM 0 HD2 PHE A 52 5.537 -0.076 5.198 1.00 12.24 H new ATOM 0 HE1 PHE A 52 4.459 4.565 3.779 1.00 64.52 H new ATOM 0 HE2 PHE A 52 6.204 1.849 6.616 1.00 4.20 H new ATOM 0 HZ PHE A 52 5.703 4.172 5.895 1.00 74.31 H new ATOM 747 N SER A 53 5.016 -2.673 1.155 1.00 54.25 N ATOM 748 CA SER A 53 4.584 -3.927 0.564 1.00 52.31 C ATOM 749 C SER A 53 4.063 -4.764 1.724 1.00 13.35 C ATOM 750 O SER A 53 4.499 -4.588 2.867 1.00 14.21 O ATOM 751 CB SER A 53 5.806 -4.600 -0.077 1.00 62.33 C ATOM 752 OG SER A 53 5.685 -4.859 -1.453 1.00 72.21 O ATOM 0 H SER A 53 5.654 -2.824 1.936 1.00 54.25 H new ATOM 0 HA SER A 53 3.819 -3.800 -0.202 1.00 52.31 H new ATOM 0 HB2 SER A 53 6.678 -3.965 0.083 1.00 62.33 H new ATOM 0 HB3 SER A 53 5.997 -5.541 0.440 1.00 62.33 H new ATOM 0 HG SER A 53 6.577 -4.901 -1.858 1.00 72.21 H new ATOM 757 N GLU A 54 3.161 -5.695 1.443 1.00 52.31 N ATOM 758 CA GLU A 54 2.866 -6.734 2.412 1.00 1.34 C ATOM 759 C GLU A 54 4.121 -7.590 2.647 1.00 31.32 C ATOM 760 O GLU A 54 5.086 -7.576 1.869 1.00 12.21 O ATOM 761 CB GLU A 54 1.646 -7.545 1.960 1.00 14.53 C ATOM 762 CG GLU A 54 1.932 -8.369 0.702 1.00 35.11 C ATOM 763 CD GLU A 54 0.759 -9.255 0.302 1.00 52.34 C ATOM 764 OE1 GLU A 54 -0.283 -8.683 -0.092 1.00 0.32 O ATOM 765 OE2 GLU A 54 0.901 -10.497 0.397 1.00 64.35 O ATOM 0 H GLU A 54 2.633 -5.751 0.572 1.00 52.31 H new ATOM 0 HA GLU A 54 2.600 -6.295 3.374 1.00 1.34 H new ATOM 0 HB2 GLU A 54 1.336 -8.211 2.765 1.00 14.53 H new ATOM 0 HB3 GLU A 54 0.813 -6.868 1.767 1.00 14.53 H new ATOM 0 HG2 GLU A 54 2.172 -7.696 -0.122 1.00 35.11 H new ATOM 0 HG3 GLU A 54 2.811 -8.991 0.872 1.00 35.11 H new ATOM 770 N ALA A 55 4.110 -8.353 3.730 1.00 31.34 N ATOM 771 CA ALA A 55 4.985 -9.481 3.975 1.00 12.43 C ATOM 772 C ALA A 55 4.269 -10.397 4.955 1.00 22.32 C ATOM 773 O ALA A 55 3.311 -9.990 5.620 1.00 32.23 O ATOM 774 CB ALA A 55 6.305 -9.006 4.582 1.00 2.24 C ATOM 0 H ALA A 55 3.457 -8.191 4.497 1.00 31.34 H new ATOM 0 HA ALA A 55 5.211 -10.001 3.044 1.00 12.43 H new ATOM 0 HB1 ALA A 55 6.953 -9.864 4.761 1.00 2.24 H new ATOM 0 HB2 ALA A 55 6.796 -8.318 3.893 1.00 2.24 H new ATOM 0 HB3 ALA A 55 6.109 -8.496 5.525 1.00 2.24 H new ATOM 780 N THR A 56 4.778 -11.612 5.092 1.00 44.02 N ATOM 781 CA THR A 56 4.233 -12.612 5.986 1.00 15.24 C ATOM 782 C THR A 56 5.357 -13.336 6.719 1.00 54.21 C ATOM 783 O THR A 56 6.535 -13.305 6.337 1.00 13.25 O ATOM 784 CB THR A 56 3.284 -13.566 5.231 1.00 42.22 C ATOM 785 OG1 THR A 56 3.643 -13.720 3.871 1.00 31.42 O ATOM 786 CG2 THR A 56 1.843 -13.063 5.313 1.00 64.24 C ATOM 0 H THR A 56 5.596 -11.932 4.574 1.00 44.02 H new ATOM 0 HA THR A 56 3.626 -12.122 6.748 1.00 15.24 H new ATOM 0 HB THR A 56 3.370 -14.538 5.716 1.00 42.22 H new ATOM 0 HG1 THR A 56 3.016 -14.333 3.434 1.00 31.42 H new ATOM 0 HG21 THR A 56 1.187 -13.748 4.775 1.00 64.24 H new ATOM 0 HG22 THR A 56 1.535 -13.010 6.357 1.00 64.24 H new ATOM 0 HG23 THR A 56 1.778 -12.071 4.865 1.00 64.24 H new ATOM 794 N ARG A 57 4.993 -13.936 7.846 1.00 24.50 N ATOM 795 CA ARG A 57 5.914 -14.619 8.742 1.00 75.52 C ATOM 796 C ARG A 57 5.862 -16.116 8.508 1.00 52.31 C ATOM 797 O ARG A 57 5.080 -16.592 7.679 1.00 64.15 O ATOM 798 CB ARG A 57 5.621 -14.243 10.203 1.00 25.23 C ATOM 799 CG ARG A 57 5.513 -12.723 10.435 1.00 31.53 C ATOM 800 CD ARG A 57 6.391 -12.252 11.577 1.00 52.04 C ATOM 801 NE ARG A 57 7.772 -12.000 11.148 1.00 2.34 N ATOM 802 CZ ARG A 57 8.828 -11.977 11.959 1.00 4.40 C ATOM 803 NH1 ARG A 57 8.742 -12.473 13.189 1.00 11.20 N ATOM 804 NH2 ARG A 57 9.975 -11.465 11.531 1.00 11.44 N ATOM 0 H ARG A 57 4.026 -13.961 8.169 1.00 24.50 H new ATOM 0 HA ARG A 57 6.932 -14.294 8.528 1.00 75.52 H new ATOM 0 HB2 ARG A 57 4.690 -14.717 10.512 1.00 25.23 H new ATOM 0 HB3 ARG A 57 6.410 -14.645 10.839 1.00 25.23 H new ATOM 0 HG2 ARG A 57 5.795 -12.197 9.522 1.00 31.53 H new ATOM 0 HG3 ARG A 57 4.476 -12.463 10.646 1.00 31.53 H new ATOM 0 HD2 ARG A 57 5.972 -11.340 12.002 1.00 52.04 H new ATOM 0 HD3 ARG A 57 6.389 -13.002 12.368 1.00 52.04 H new ATOM 0 HE ARG A 57 7.935 -11.830 10.156 1.00 2.34 H new ATOM 0 HH11 ARG A 57 7.863 -12.874 13.517 1.00 11.20 H new ATOM 0 HH12 ARG A 57 9.555 -12.452 13.805 1.00 11.20 H new ATOM 0 HH21 ARG A 57 10.045 -11.091 10.585 1.00 11.44 H new ATOM 0 HH22 ARG A 57 10.787 -11.445 12.149 1.00 11.44 H new ATOM 815 N GLY A 58 6.629 -16.853 9.309 1.00 32.31 N ATOM 816 CA GLY A 58 6.607 -18.306 9.326 1.00 41.25 C ATOM 817 C GLY A 58 5.181 -18.840 9.414 1.00 32.55 C ATOM 818 O GLY A 58 4.855 -19.817 8.741 1.00 60.31 O ATOM 0 H GLY A 58 7.290 -16.448 9.972 1.00 32.31 H new ATOM 0 HA2 GLY A 58 7.086 -18.689 8.425 1.00 41.25 H new ATOM 0 HA3 GLY A 58 7.187 -18.670 10.174 1.00 41.25 H new ATOM 822 N ASP A 59 4.320 -18.199 10.203 1.00 72.15 N ATOM 823 CA ASP A 59 2.934 -18.619 10.411 1.00 71.22 C ATOM 824 C ASP A 59 1.947 -18.106 9.351 1.00 45.02 C ATOM 825 O ASP A 59 0.764 -18.429 9.391 1.00 33.20 O ATOM 826 CB ASP A 59 2.489 -18.191 11.804 1.00 73.14 C ATOM 827 CG ASP A 59 1.158 -18.831 12.167 1.00 2.34 C ATOM 828 OD1 ASP A 59 1.096 -20.084 12.135 1.00 15.53 O ATOM 829 OD2 ASP A 59 0.182 -18.115 12.487 1.00 31.33 O ATOM 0 H ASP A 59 4.570 -17.359 10.725 1.00 72.15 H new ATOM 0 HA ASP A 59 2.918 -19.704 10.312 1.00 71.22 H new ATOM 0 HB2 ASP A 59 3.246 -18.475 12.535 1.00 73.14 H new ATOM 0 HB3 ASP A 59 2.398 -17.106 11.844 1.00 73.14 H new ATOM 833 N GLY A 60 2.404 -17.286 8.406 1.00 61.54 N ATOM 834 CA GLY A 60 1.520 -16.534 7.514 1.00 41.25 C ATOM 835 C GLY A 60 0.977 -15.272 8.185 1.00 3.12 C ATOM 836 O GLY A 60 0.096 -14.613 7.639 1.00 23.52 O ATOM 0 H GLY A 60 3.397 -17.124 8.236 1.00 61.54 H new ATOM 0 HA2 GLY A 60 2.064 -16.260 6.610 1.00 41.25 H new ATOM 0 HA3 GLY A 60 0.689 -17.168 7.206 1.00 41.25 H new ATOM 840 N GLU A 61 1.515 -14.922 9.355 1.00 71.34 N ATOM 841 CA GLU A 61 1.165 -13.735 10.123 1.00 62.45 C ATOM 842 C GLU A 61 1.648 -12.515 9.333 1.00 53.12 C ATOM 843 O GLU A 61 2.799 -12.522 8.891 1.00 42.42 O ATOM 844 CB GLU A 61 1.843 -13.880 11.493 1.00 11.02 C ATOM 845 CG GLU A 61 1.326 -12.930 12.573 1.00 4.35 C ATOM 846 CD GLU A 61 0.659 -13.731 13.692 1.00 4.50 C ATOM 847 OE1 GLU A 61 -0.534 -14.073 13.570 1.00 33.15 O ATOM 848 OE2 GLU A 61 1.304 -14.054 14.718 1.00 53.21 O ATOM 0 H GLU A 61 2.236 -15.484 9.808 1.00 71.34 H new ATOM 0 HA GLU A 61 0.094 -13.614 10.285 1.00 62.45 H new ATOM 0 HB2 GLU A 61 1.713 -14.905 11.839 1.00 11.02 H new ATOM 0 HB3 GLU A 61 2.914 -13.719 11.371 1.00 11.02 H new ATOM 0 HG2 GLU A 61 2.150 -12.341 12.976 1.00 4.35 H new ATOM 0 HG3 GLU A 61 0.613 -12.228 12.141 1.00 4.35 H new ATOM 853 N ARG A 62 0.798 -11.516 9.076 1.00 24.43 N ATOM 854 CA ARG A 62 1.064 -10.494 8.055 1.00 54.04 C ATOM 855 C ARG A 62 1.409 -9.138 8.664 1.00 0.54 C ATOM 856 O ARG A 62 0.965 -8.814 9.769 1.00 1.33 O ATOM 857 CB ARG A 62 -0.150 -10.427 7.122 1.00 62.22 C ATOM 858 CG ARG A 62 -0.060 -9.373 6.008 1.00 1.33 C ATOM 859 CD ARG A 62 -0.949 -9.790 4.841 1.00 74.11 C ATOM 860 NE ARG A 62 -1.409 -8.647 4.046 1.00 40.14 N ATOM 861 CZ ARG A 62 -1.827 -8.766 2.785 1.00 53.45 C ATOM 862 NH1 ARG A 62 -2.281 -9.936 2.355 1.00 55.01 N ATOM 863 NH2 ARG A 62 -1.750 -7.727 1.966 1.00 71.21 N ATOM 0 H ARG A 62 -0.088 -11.392 9.565 1.00 24.43 H new ATOM 0 HA ARG A 62 1.947 -10.774 7.481 1.00 54.04 H new ATOM 0 HB2 ARG A 62 -0.291 -11.406 6.664 1.00 62.22 H new ATOM 0 HB3 ARG A 62 -1.038 -10.225 7.721 1.00 62.22 H new ATOM 0 HG2 ARG A 62 -0.372 -8.400 6.387 1.00 1.33 H new ATOM 0 HG3 ARG A 62 0.972 -9.269 5.674 1.00 1.33 H new ATOM 0 HD2 ARG A 62 -0.399 -10.477 4.198 1.00 74.11 H new ATOM 0 HD3 ARG A 62 -1.813 -10.333 5.223 1.00 74.11 H new ATOM 0 HE ARG A 62 -1.409 -7.722 4.475 1.00 40.14 H new ATOM 0 HH11 ARG A 62 -2.309 -10.736 2.987 1.00 55.01 H new ATOM 0 HH12 ARG A 62 -2.603 -10.036 1.392 1.00 55.01 H new ATOM 0 HH21 ARG A 62 -1.372 -6.841 2.301 1.00 71.21 H new ATOM 0 HH22 ARG A 62 -2.069 -7.814 1.001 1.00 71.21 H new ATOM 874 N PHE A 63 2.181 -8.344 7.920 1.00 64.31 N ATOM 875 CA PHE A 63 2.635 -7.000 8.252 1.00 0.11 C ATOM 876 C PHE A 63 2.839 -6.194 6.965 1.00 71.24 C ATOM 877 O PHE A 63 2.882 -6.764 5.872 1.00 0.01 O ATOM 878 CB PHE A 63 3.931 -7.062 9.085 1.00 12.01 C ATOM 879 CG PHE A 63 5.134 -7.790 8.486 1.00 20.22 C ATOM 880 CD1 PHE A 63 5.131 -9.198 8.382 1.00 22.13 C ATOM 881 CD2 PHE A 63 6.303 -7.081 8.120 1.00 51.24 C ATOM 882 CE1 PHE A 63 6.279 -9.885 7.953 1.00 15.32 C ATOM 883 CE2 PHE A 63 7.459 -7.784 7.736 1.00 54.54 C ATOM 884 CZ PHE A 63 7.458 -9.184 7.670 1.00 52.43 C ATOM 0 H PHE A 63 2.527 -8.647 7.009 1.00 64.31 H new ATOM 0 HA PHE A 63 1.877 -6.500 8.856 1.00 0.11 H new ATOM 0 HB2 PHE A 63 4.236 -6.039 9.306 1.00 12.01 H new ATOM 0 HB3 PHE A 63 3.694 -7.536 10.037 1.00 12.01 H new ATOM 0 HD1 PHE A 63 4.239 -9.752 8.634 1.00 22.13 H new ATOM 0 HD2 PHE A 63 6.307 -6.001 8.136 1.00 51.24 H new ATOM 0 HE1 PHE A 63 6.252 -10.959 7.841 1.00 15.32 H new ATOM 0 HE2 PHE A 63 8.358 -7.239 7.489 1.00 54.54 H new ATOM 0 HZ PHE A 63 8.358 -9.717 7.403 1.00 52.43 H new ATOM 893 N TRP A 64 2.995 -4.875 7.095 1.00 1.13 N ATOM 894 CA TRP A 64 3.387 -3.975 6.016 1.00 40.02 C ATOM 895 C TRP A 64 4.842 -3.588 6.219 1.00 51.43 C ATOM 896 O TRP A 64 5.145 -2.772 7.088 1.00 31.13 O ATOM 897 CB TRP A 64 2.521 -2.719 6.032 1.00 32.41 C ATOM 898 CG TRP A 64 1.086 -2.937 5.731 1.00 72.14 C ATOM 899 CD1 TRP A 64 0.086 -2.993 6.635 1.00 64.43 C ATOM 900 CD2 TRP A 64 0.489 -3.171 4.432 1.00 2.24 C ATOM 901 NE1 TRP A 64 -1.100 -3.217 5.973 1.00 42.22 N ATOM 902 CE2 TRP A 64 -0.909 -3.360 4.616 1.00 13.50 C ATOM 903 CE3 TRP A 64 0.997 -3.275 3.123 1.00 72.41 C ATOM 904 CZ2 TRP A 64 -1.768 -3.665 3.552 1.00 31.20 C ATOM 905 CZ3 TRP A 64 0.151 -3.596 2.049 1.00 53.24 C ATOM 906 CH2 TRP A 64 -1.226 -3.786 2.264 1.00 22.11 C ATOM 0 H TRP A 64 2.847 -4.392 7.981 1.00 1.13 H new ATOM 0 HA TRP A 64 3.255 -4.475 5.057 1.00 40.02 H new ATOM 0 HB2 TRP A 64 2.603 -2.253 7.014 1.00 32.41 H new ATOM 0 HB3 TRP A 64 2.924 -2.010 5.308 1.00 32.41 H new ATOM 0 HD1 TRP A 64 0.198 -2.880 7.703 1.00 64.43 H new ATOM 0 HE1 TRP A 64 -2.010 -3.271 6.431 1.00 42.22 H new ATOM 0 HE3 TRP A 64 2.048 -3.106 2.943 1.00 72.41 H new ATOM 0 HZ2 TRP A 64 -2.826 -3.804 3.720 1.00 31.20 H new ATOM 0 HZ3 TRP A 64 0.559 -3.697 1.054 1.00 53.24 H new ATOM 0 HH2 TRP A 64 -1.870 -4.027 1.431 1.00 22.11 H new ATOM 916 N MET A 65 5.749 -4.174 5.452 1.00 41.45 N ATOM 917 CA MET A 65 7.143 -3.759 5.437 1.00 63.31 C ATOM 918 C MET A 65 7.382 -2.707 4.357 1.00 12.41 C ATOM 919 O MET A 65 6.490 -2.415 3.562 1.00 63.55 O ATOM 920 CB MET A 65 8.034 -4.985 5.265 1.00 2.45 C ATOM 921 CG MET A 65 7.856 -5.686 3.911 1.00 24.54 C ATOM 922 SD MET A 65 9.363 -6.341 3.140 1.00 33.33 S ATOM 923 CE MET A 65 10.212 -7.074 4.566 1.00 71.13 C ATOM 0 H MET A 65 5.540 -4.949 4.823 1.00 41.45 H new ATOM 0 HA MET A 65 7.398 -3.290 6.387 1.00 63.31 H new ATOM 0 HB2 MET A 65 9.076 -4.685 5.376 1.00 2.45 H new ATOM 0 HB3 MET A 65 7.820 -5.695 6.064 1.00 2.45 H new ATOM 0 HG2 MET A 65 7.153 -6.509 4.042 1.00 24.54 H new ATOM 0 HG3 MET A 65 7.396 -4.981 3.219 1.00 24.54 H new ATOM 0 HE1 MET A 65 10.920 -7.828 4.220 1.00 71.13 H new ATOM 0 HE2 MET A 65 10.748 -6.296 5.110 1.00 71.13 H new ATOM 0 HE3 MET A 65 9.480 -7.539 5.226 1.00 71.13 H new ATOM 931 N GLN A 66 8.599 -2.173 4.269 1.00 12.43 N ATOM 932 CA GLN A 66 9.005 -1.228 3.231 1.00 61.52 C ATOM 933 C GLN A 66 10.279 -1.752 2.542 1.00 54.21 C ATOM 934 O GLN A 66 11.398 -1.414 2.937 1.00 34.20 O ATOM 935 CB GLN A 66 9.069 0.214 3.763 1.00 43.54 C ATOM 936 CG GLN A 66 9.731 0.352 5.134 1.00 5.33 C ATOM 937 CD GLN A 66 10.017 1.811 5.473 1.00 55.15 C ATOM 938 OE1 GLN A 66 9.055 2.507 6.065 1.00 20.44 O flip ATOM 939 NE2 GLN A 66 11.086 2.344 5.174 1.00 24.13 N flip ATOM 0 H GLN A 66 9.345 -2.390 4.930 1.00 12.43 H new ATOM 0 HA GLN A 66 8.247 -1.164 2.450 1.00 61.52 H new ATOM 0 HB2 GLN A 66 9.614 0.829 3.046 1.00 43.54 H new ATOM 0 HB3 GLN A 66 8.056 0.613 3.820 1.00 43.54 H new ATOM 0 HG2 GLN A 66 9.083 -0.079 5.897 1.00 5.33 H new ATOM 0 HG3 GLN A 66 10.662 -0.215 5.148 1.00 5.33 H new ATOM 0 HE21 GLN A 66 11.818 1.799 4.719 1.00 24.13 H new ATOM 0 HE22 GLN A 66 11.239 3.331 5.381 1.00 24.13 H new ATOM 946 N PRO A 67 10.154 -2.626 1.530 1.00 42.11 N ATOM 947 CA PRO A 67 11.275 -3.281 0.848 1.00 73.14 C ATOM 948 C PRO A 67 12.088 -2.348 -0.065 1.00 44.52 C ATOM 949 O PRO A 67 12.991 -2.819 -0.758 1.00 71.14 O ATOM 950 CB PRO A 67 10.668 -4.435 0.052 1.00 51.14 C ATOM 951 CG PRO A 67 9.277 -3.914 -0.261 1.00 3.30 C ATOM 952 CD PRO A 67 8.903 -3.150 1.001 1.00 45.23 C ATOM 0 HA PRO A 67 11.998 -3.621 1.590 1.00 73.14 H new ATOM 0 HB2 PRO A 67 11.236 -4.648 -0.854 1.00 51.14 H new ATOM 0 HB3 PRO A 67 10.636 -5.357 0.632 1.00 51.14 H new ATOM 0 HG2 PRO A 67 9.277 -3.268 -1.139 1.00 3.30 H new ATOM 0 HG3 PRO A 67 8.578 -4.726 -0.463 1.00 3.30 H new ATOM 0 HD2 PRO A 67 8.204 -2.344 0.778 1.00 45.23 H new ATOM 0 HD3 PRO A 67 8.415 -3.804 1.724 1.00 45.23 H new ATOM 957 N VAL A 68 11.804 -1.047 -0.108 1.00 34.43 N ATOM 958 CA VAL A 68 12.553 -0.060 -0.876 1.00 43.24 C ATOM 959 C VAL A 68 12.960 1.066 0.066 1.00 73.12 C ATOM 960 O VAL A 68 12.234 2.022 0.341 1.00 31.41 O ATOM 961 CB VAL A 68 11.806 0.316 -2.174 1.00 2.04 C ATOM 962 CG1 VAL A 68 10.318 0.643 -1.976 1.00 32.32 C ATOM 963 CG2 VAL A 68 12.525 1.443 -2.928 1.00 51.41 C ATOM 0 H VAL A 68 11.023 -0.641 0.407 1.00 34.43 H new ATOM 0 HA VAL A 68 13.492 -0.453 -1.267 1.00 43.24 H new ATOM 0 HB VAL A 68 11.827 -0.585 -2.787 1.00 2.04 H new ATOM 0 HG11 VAL A 68 9.870 0.896 -2.937 1.00 32.32 H new ATOM 0 HG12 VAL A 68 9.808 -0.223 -1.555 1.00 32.32 H new ATOM 0 HG13 VAL A 68 10.219 1.489 -1.295 1.00 32.32 H new ATOM 0 HG21 VAL A 68 11.973 1.683 -3.837 1.00 51.41 H new ATOM 0 HG22 VAL A 68 12.581 2.327 -2.293 1.00 51.41 H new ATOM 0 HG23 VAL A 68 13.532 1.120 -3.190 1.00 51.41 H new ATOM 973 N ARG A 69 14.169 0.887 0.592 1.00 60.53 N ATOM 974 CA ARG A 69 14.917 1.802 1.442 1.00 22.55 C ATOM 975 C ARG A 69 15.497 2.971 0.633 1.00 43.15 C ATOM 976 O ARG A 69 16.699 3.248 0.648 1.00 41.53 O ATOM 977 CB ARG A 69 15.966 0.982 2.210 1.00 12.53 C ATOM 978 CG ARG A 69 16.935 0.121 1.369 1.00 41.41 C ATOM 979 CD ARG A 69 18.359 0.654 1.288 1.00 74.13 C ATOM 980 NE ARG A 69 19.002 0.710 2.607 1.00 0.55 N ATOM 981 CZ ARG A 69 19.919 1.593 3.011 1.00 0.33 C ATOM 982 NH1 ARG A 69 20.254 2.655 2.280 1.00 44.22 N ATOM 983 NH2 ARG A 69 20.501 1.382 4.178 1.00 40.43 N ATOM 0 H ARG A 69 14.691 0.028 0.419 1.00 60.53 H new ATOM 0 HA ARG A 69 14.264 2.281 2.172 1.00 22.55 H new ATOM 0 HB2 ARG A 69 16.559 1.670 2.812 1.00 12.53 H new ATOM 0 HB3 ARG A 69 15.441 0.324 2.902 1.00 12.53 H new ATOM 0 HG2 ARG A 69 16.962 -0.885 1.789 1.00 41.41 H new ATOM 0 HG3 ARG A 69 16.537 0.034 0.358 1.00 41.41 H new ATOM 0 HD2 ARG A 69 18.947 0.019 0.625 1.00 74.13 H new ATOM 0 HD3 ARG A 69 18.348 1.651 0.847 1.00 74.13 H new ATOM 0 HE ARG A 69 18.719 0.002 3.284 1.00 0.55 H new ATOM 0 HH11 ARG A 69 19.805 2.816 1.378 1.00 44.22 H new ATOM 0 HH12 ARG A 69 20.959 3.308 2.622 1.00 44.22 H new ATOM 0 HH21 ARG A 69 20.245 0.567 4.736 1.00 40.43 H new ATOM 0 HH22 ARG A 69 21.206 2.034 4.521 1.00 40.43 H new ATOM 994 N SER A 70 14.642 3.651 -0.112 1.00 75.42 N ATOM 995 CA SER A 70 14.922 4.934 -0.720 1.00 61.25 C ATOM 996 C SER A 70 13.712 5.811 -0.424 1.00 63.25 C ATOM 997 O SER A 70 12.632 5.317 -0.097 1.00 0.44 O ATOM 998 CB SER A 70 15.176 4.755 -2.225 1.00 32.20 C ATOM 999 OG SER A 70 15.558 5.982 -2.821 1.00 61.41 O ATOM 0 H SER A 70 13.702 3.310 -0.315 1.00 75.42 H new ATOM 0 HA SER A 70 15.822 5.402 -0.321 1.00 61.25 H new ATOM 0 HB2 SER A 70 15.958 4.011 -2.380 1.00 32.20 H new ATOM 0 HB3 SER A 70 14.275 4.376 -2.708 1.00 32.20 H new ATOM 0 HG SER A 70 15.528 5.895 -3.797 1.00 61.41 H new ATOM 1004 N THR A 71 13.892 7.115 -0.578 1.00 65.25 N ATOM 1005 CA THR A 71 12.844 8.113 -0.484 1.00 0.03 C ATOM 1006 C THR A 71 12.710 8.830 -1.845 1.00 71.22 C ATOM 1007 O THR A 71 11.801 9.644 -2.024 1.00 20.32 O ATOM 1008 CB THR A 71 13.075 8.945 0.787 1.00 43.11 C ATOM 1009 OG1 THR A 71 11.913 9.553 1.328 1.00 61.34 O ATOM 1010 CG2 THR A 71 14.128 9.978 0.499 1.00 73.22 C ATOM 0 H THR A 71 14.807 7.519 -0.779 1.00 65.25 H new ATOM 0 HA THR A 71 11.843 7.709 -0.332 1.00 0.03 H new ATOM 0 HB THR A 71 13.401 8.249 1.560 1.00 43.11 H new ATOM 0 HG1 THR A 71 11.143 8.961 1.197 1.00 61.34 H new ATOM 0 HG21 THR A 71 14.304 10.577 1.392 1.00 73.22 H new ATOM 0 HG22 THR A 71 15.054 9.482 0.207 1.00 73.22 H new ATOM 0 HG23 THR A 71 13.791 10.625 -0.311 1.00 73.22 H new ATOM 1018 N PHE A 72 13.580 8.529 -2.826 1.00 3.54 N ATOM 1019 CA PHE A 72 13.518 9.130 -4.151 1.00 13.50 C ATOM 1020 C PHE A 72 12.266 8.657 -4.873 1.00 63.34 C ATOM 1021 O PHE A 72 12.005 7.466 -5.002 1.00 53.53 O ATOM 1022 CB PHE A 72 14.783 8.845 -4.970 1.00 35.25 C ATOM 1023 CG PHE A 72 15.864 9.880 -4.739 1.00 61.12 C ATOM 1024 CD1 PHE A 72 15.870 11.068 -5.495 1.00 1.33 C ATOM 1025 CD2 PHE A 72 16.816 9.698 -3.719 1.00 51.22 C ATOM 1026 CE1 PHE A 72 16.823 12.067 -5.234 1.00 65.45 C ATOM 1027 CE2 PHE A 72 17.765 10.702 -3.454 1.00 1.10 C ATOM 1028 CZ PHE A 72 17.770 11.885 -4.215 1.00 35.22 C ATOM 0 H PHE A 72 14.342 7.861 -2.712 1.00 3.54 H new ATOM 0 HA PHE A 72 13.466 10.212 -4.033 1.00 13.50 H new ATOM 0 HB2 PHE A 72 15.167 7.858 -4.710 1.00 35.25 H new ATOM 0 HB3 PHE A 72 14.529 8.819 -6.030 1.00 35.25 H new ATOM 0 HD1 PHE A 72 15.140 11.212 -6.278 1.00 1.33 H new ATOM 0 HD2 PHE A 72 16.818 8.787 -3.139 1.00 51.22 H new ATOM 0 HE1 PHE A 72 16.826 12.975 -5.818 1.00 65.45 H new ATOM 0 HE2 PHE A 72 18.490 10.564 -2.666 1.00 1.10 H new ATOM 0 HZ PHE A 72 18.503 12.653 -4.015 1.00 35.22 H new ATOM 1037 N GLU A 73 11.503 9.623 -5.350 1.00 43.24 N ATOM 1038 CA GLU A 73 10.225 9.481 -6.020 1.00 33.40 C ATOM 1039 C GLU A 73 10.224 8.420 -7.138 1.00 63.22 C ATOM 1040 O GLU A 73 9.379 7.529 -7.060 1.00 1.31 O ATOM 1041 CB GLU A 73 9.862 10.897 -6.455 1.00 13.44 C ATOM 1042 CG GLU A 73 8.404 11.146 -6.809 1.00 22.10 C ATOM 1043 CD GLU A 73 8.362 12.540 -7.418 1.00 32.24 C ATOM 1044 OE1 GLU A 73 8.471 13.530 -6.662 1.00 11.10 O ATOM 1045 OE2 GLU A 73 8.462 12.653 -8.664 1.00 55.13 O ATOM 0 H GLU A 73 11.782 10.601 -5.273 1.00 43.24 H new ATOM 0 HA GLU A 73 9.455 9.076 -5.363 1.00 33.40 H new ATOM 0 HB2 GLU A 73 10.140 11.582 -5.654 1.00 13.44 H new ATOM 0 HB3 GLU A 73 10.472 11.155 -7.321 1.00 13.44 H new ATOM 0 HG2 GLU A 73 8.039 10.399 -7.514 1.00 22.10 H new ATOM 0 HG3 GLU A 73 7.770 11.086 -5.924 1.00 22.10 H new ATOM 1050 N PRO A 74 11.151 8.412 -8.123 1.00 42.32 N ATOM 1051 CA PRO A 74 11.156 7.374 -9.153 1.00 15.14 C ATOM 1052 C PRO A 74 11.518 5.991 -8.605 1.00 1.51 C ATOM 1053 O PRO A 74 11.037 5.001 -9.144 1.00 42.12 O ATOM 1054 CB PRO A 74 12.178 7.819 -10.207 1.00 71.24 C ATOM 1055 CG PRO A 74 13.113 8.731 -9.422 1.00 62.12 C ATOM 1056 CD PRO A 74 12.178 9.403 -8.422 1.00 62.34 C ATOM 0 HA PRO A 74 10.155 7.266 -9.571 1.00 15.14 H new ATOM 0 HB2 PRO A 74 12.710 6.970 -10.636 1.00 71.24 H new ATOM 0 HB3 PRO A 74 11.701 8.346 -11.033 1.00 71.24 H new ATOM 0 HG2 PRO A 74 13.901 8.167 -8.922 1.00 62.12 H new ATOM 0 HG3 PRO A 74 13.603 9.459 -10.068 1.00 62.12 H new ATOM 0 HD2 PRO A 74 12.714 9.697 -7.520 1.00 62.34 H new ATOM 0 HD3 PRO A 74 11.740 10.308 -8.842 1.00 62.34 H new ATOM 1061 N ASP A 75 12.334 5.894 -7.548 1.00 15.10 N ATOM 1062 CA ASP A 75 12.744 4.602 -6.983 1.00 14.23 C ATOM 1063 C ASP A 75 11.515 3.902 -6.429 1.00 71.52 C ATOM 1064 O ASP A 75 11.352 2.685 -6.552 1.00 24.42 O ATOM 1065 CB ASP A 75 13.763 4.760 -5.834 1.00 54.15 C ATOM 1066 CG ASP A 75 15.145 5.254 -6.244 1.00 40.24 C ATOM 1067 OD1 ASP A 75 15.422 5.403 -7.457 1.00 21.42 O ATOM 1068 OD2 ASP A 75 15.983 5.493 -5.347 1.00 2.14 O ATOM 0 H ASP A 75 12.726 6.702 -7.064 1.00 15.10 H new ATOM 0 HA ASP A 75 13.216 4.028 -7.781 1.00 14.23 H new ATOM 0 HB2 ASP A 75 13.352 5.453 -5.100 1.00 54.15 H new ATOM 0 HB3 ASP A 75 13.874 3.797 -5.336 1.00 54.15 H new ATOM 1072 N LEU A 76 10.661 4.708 -5.800 1.00 3.43 N ATOM 1073 CA LEU A 76 9.422 4.289 -5.197 1.00 65.11 C ATOM 1074 C LEU A 76 8.453 3.917 -6.311 1.00 15.31 C ATOM 1075 O LEU A 76 8.044 2.761 -6.379 1.00 31.21 O ATOM 1076 CB LEU A 76 8.897 5.393 -4.252 1.00 14.22 C ATOM 1077 CG LEU A 76 9.853 5.660 -3.070 1.00 41.54 C ATOM 1078 CD1 LEU A 76 9.426 6.932 -2.335 1.00 11.41 C ATOM 1079 CD2 LEU A 76 9.926 4.504 -2.068 1.00 20.11 C ATOM 0 H LEU A 76 10.831 5.709 -5.699 1.00 3.43 H new ATOM 0 HA LEU A 76 9.556 3.406 -4.572 1.00 65.11 H new ATOM 0 HB2 LEU A 76 8.756 6.314 -4.817 1.00 14.22 H new ATOM 0 HB3 LEU A 76 7.919 5.103 -3.867 1.00 14.22 H new ATOM 0 HG LEU A 76 10.848 5.773 -3.501 1.00 41.54 H new ATOM 0 HD11 LEU A 76 10.104 7.116 -1.502 1.00 11.41 H new ATOM 0 HD12 LEU A 76 9.458 7.777 -3.022 1.00 11.41 H new ATOM 0 HD13 LEU A 76 8.411 6.810 -1.957 1.00 11.41 H new ATOM 0 HD21 LEU A 76 10.616 4.762 -1.265 1.00 20.11 H new ATOM 0 HD22 LEU A 76 8.936 4.321 -1.651 1.00 20.11 H new ATOM 0 HD23 LEU A 76 10.278 3.605 -2.574 1.00 20.11 H new ATOM 1090 N ASP A 77 8.095 4.849 -7.196 1.00 3.34 N ATOM 1091 CA ASP A 77 7.064 4.576 -8.200 1.00 21.10 C ATOM 1092 C ASP A 77 7.432 3.393 -9.105 1.00 31.40 C ATOM 1093 O ASP A 77 6.562 2.617 -9.501 1.00 33.13 O ATOM 1094 CB ASP A 77 6.763 5.830 -9.026 1.00 34.53 C ATOM 1095 CG ASP A 77 5.426 5.687 -9.752 1.00 21.14 C ATOM 1096 OD1 ASP A 77 4.416 5.440 -9.054 1.00 62.14 O ATOM 1097 OD2 ASP A 77 5.378 5.880 -10.990 1.00 43.14 O ATOM 0 H ASP A 77 8.496 5.786 -7.239 1.00 3.34 H new ATOM 0 HA ASP A 77 6.159 4.292 -7.663 1.00 21.10 H new ATOM 0 HB2 ASP A 77 6.738 6.704 -8.375 1.00 34.53 H new ATOM 0 HB3 ASP A 77 7.561 5.995 -9.750 1.00 34.53 H new ATOM 1101 N ALA A 78 8.731 3.184 -9.356 1.00 2.24 N ATOM 1102 CA ALA A 78 9.221 2.025 -10.087 1.00 4.32 C ATOM 1103 C ALA A 78 8.923 0.702 -9.371 1.00 32.23 C ATOM 1104 O ALA A 78 8.681 -0.297 -10.051 1.00 21.10 O ATOM 1105 CB ALA A 78 10.723 2.155 -10.353 1.00 2.42 C ATOM 0 H ALA A 78 9.468 3.821 -9.054 1.00 2.24 H new ATOM 0 HA ALA A 78 8.684 2.003 -11.035 1.00 4.32 H new ATOM 0 HB1 ALA A 78 11.073 1.280 -10.900 1.00 2.42 H new ATOM 0 HB2 ALA A 78 10.912 3.052 -10.943 1.00 2.42 H new ATOM 0 HB3 ALA A 78 11.256 2.226 -9.405 1.00 2.42 H new ATOM 1111 N TYR A 79 8.916 0.645 -8.035 1.00 40.03 N ATOM 1112 CA TYR A 79 8.598 -0.591 -7.313 1.00 0.14 C ATOM 1113 C TYR A 79 7.199 -1.087 -7.710 1.00 71.22 C ATOM 1114 O TYR A 79 6.996 -2.276 -7.955 1.00 71.22 O ATOM 1115 CB TYR A 79 8.627 -0.373 -5.795 1.00 54.01 C ATOM 1116 CG TYR A 79 8.587 -1.656 -4.993 1.00 71.24 C ATOM 1117 CD1 TYR A 79 7.338 -2.208 -4.671 1.00 51.34 C ATOM 1118 CD2 TYR A 79 9.767 -2.315 -4.588 1.00 45.33 C ATOM 1119 CE1 TYR A 79 7.256 -3.424 -3.982 1.00 21.42 C ATOM 1120 CE2 TYR A 79 9.687 -3.529 -3.875 1.00 54.55 C ATOM 1121 CZ TYR A 79 8.426 -4.095 -3.579 1.00 34.12 C ATOM 1122 OH TYR A 79 8.332 -5.285 -2.926 1.00 4.02 O ATOM 0 H TYR A 79 9.127 1.440 -7.432 1.00 40.03 H new ATOM 0 HA TYR A 79 9.352 -1.331 -7.580 1.00 0.14 H new ATOM 0 HB2 TYR A 79 9.529 0.180 -5.534 1.00 54.01 H new ATOM 0 HB3 TYR A 79 7.778 0.249 -5.510 1.00 54.01 H new ATOM 0 HD1 TYR A 79 6.434 -1.691 -4.957 1.00 51.34 H new ATOM 0 HD2 TYR A 79 10.731 -1.890 -4.824 1.00 45.33 H new ATOM 0 HE1 TYR A 79 6.289 -3.850 -3.758 1.00 21.42 H new ATOM 0 HE2 TYR A 79 10.590 -4.027 -3.555 1.00 54.55 H new ATOM 0 HH TYR A 79 9.231 -5.616 -2.719 1.00 4.02 H new ATOM 1131 N ALA A 80 6.231 -0.167 -7.779 1.00 44.11 N ATOM 1132 CA ALA A 80 4.839 -0.455 -8.103 1.00 54.14 C ATOM 1133 C ALA A 80 4.589 -0.774 -9.586 1.00 41.35 C ATOM 1134 O ALA A 80 3.444 -1.016 -9.986 1.00 45.24 O ATOM 1135 CB ALA A 80 3.991 0.732 -7.652 1.00 43.54 C ATOM 0 H ALA A 80 6.404 0.823 -7.606 1.00 44.11 H new ATOM 0 HA ALA A 80 4.558 -1.365 -7.573 1.00 54.14 H new ATOM 0 HB1 ALA A 80 2.943 0.540 -7.884 1.00 43.54 H new ATOM 0 HB2 ALA A 80 4.105 0.873 -6.577 1.00 43.54 H new ATOM 0 HB3 ALA A 80 4.319 1.632 -8.172 1.00 43.54 H new ATOM 1141 N GLU A 81 5.629 -0.781 -10.420 1.00 44.51 N ATOM 1142 CA GLU A 81 5.651 -1.533 -11.653 1.00 11.33 C ATOM 1143 C GLU A 81 6.338 -2.877 -11.376 1.00 0.45 C ATOM 1144 O GLU A 81 5.791 -3.930 -11.705 1.00 40.45 O ATOM 1145 CB GLU A 81 6.378 -0.699 -12.718 1.00 34.42 C ATOM 1146 CG GLU A 81 6.826 -1.614 -13.856 1.00 34.52 C ATOM 1147 CD GLU A 81 7.358 -0.927 -15.109 1.00 32.15 C ATOM 1148 OE1 GLU A 81 6.648 -0.075 -15.688 1.00 44.02 O ATOM 1149 OE2 GLU A 81 8.382 -1.417 -15.651 1.00 41.24 O ATOM 0 H GLU A 81 6.485 -0.255 -10.247 1.00 44.51 H new ATOM 0 HA GLU A 81 4.649 -1.741 -12.030 1.00 11.33 H new ATOM 0 HB2 GLU A 81 5.718 0.079 -13.100 1.00 34.42 H new ATOM 0 HB3 GLU A 81 7.240 -0.198 -12.278 1.00 34.42 H new ATOM 0 HG2 GLU A 81 7.602 -2.278 -13.475 1.00 34.52 H new ATOM 0 HG3 GLU A 81 5.982 -2.241 -14.143 1.00 34.52 H new ATOM 1154 N ARG A 82 7.552 -2.833 -10.810 1.00 12.45 N ATOM 1155 CA ARG A 82 8.488 -3.946 -10.689 1.00 44.03 C ATOM 1156 C ARG A 82 7.788 -5.182 -10.163 1.00 71.34 C ATOM 1157 O ARG A 82 7.901 -6.245 -10.768 1.00 51.34 O ATOM 1158 CB ARG A 82 9.642 -3.545 -9.750 1.00 74.41 C ATOM 1159 CG ARG A 82 10.797 -4.553 -9.737 1.00 22.30 C ATOM 1160 CD ARG A 82 11.740 -4.303 -8.551 1.00 44.33 C ATOM 1161 NE ARG A 82 11.378 -5.127 -7.386 1.00 53.24 N ATOM 1162 CZ ARG A 82 12.194 -5.515 -6.400 1.00 11.31 C ATOM 1163 NH1 ARG A 82 13.355 -4.907 -6.179 1.00 40.24 N ATOM 1164 NH2 ARG A 82 11.865 -6.545 -5.641 1.00 34.12 N ATOM 0 H ARG A 82 7.921 -1.973 -10.405 1.00 12.45 H new ATOM 0 HA ARG A 82 8.888 -4.180 -11.676 1.00 44.03 H new ATOM 0 HB2 ARG A 82 10.024 -2.570 -10.053 1.00 74.41 H new ATOM 0 HB3 ARG A 82 9.254 -3.435 -8.737 1.00 74.41 H new ATOM 0 HG2 ARG A 82 10.398 -5.566 -9.681 1.00 22.30 H new ATOM 0 HG3 ARG A 82 11.356 -4.482 -10.670 1.00 22.30 H new ATOM 0 HD2 ARG A 82 12.765 -4.523 -8.848 1.00 44.33 H new ATOM 0 HD3 ARG A 82 11.707 -3.249 -8.276 1.00 44.33 H new ATOM 0 HE ARG A 82 10.407 -5.433 -7.325 1.00 53.24 H new ATOM 0 HH11 ARG A 82 13.642 -4.125 -6.768 1.00 40.24 H new ATOM 0 HH12 ARG A 82 13.959 -5.222 -5.420 1.00 40.24 H new ATOM 0 HH21 ARG A 82 10.990 -7.042 -5.808 1.00 34.12 H new ATOM 0 HH22 ARG A 82 12.486 -6.843 -4.888 1.00 34.12 H new ATOM 1175 N ALA A 83 7.067 -5.030 -9.056 1.00 2.31 N ATOM 1176 CA ALA A 83 6.478 -6.135 -8.337 1.00 44.24 C ATOM 1177 C ALA A 83 5.584 -6.963 -9.239 1.00 0.03 C ATOM 1178 O ALA A 83 5.670 -8.191 -9.261 1.00 40.11 O ATOM 1179 CB ALA A 83 5.686 -5.573 -7.155 1.00 54.23 C ATOM 0 H ALA A 83 6.878 -4.121 -8.635 1.00 2.31 H new ATOM 0 HA ALA A 83 7.266 -6.796 -7.976 1.00 44.24 H new ATOM 0 HB1 ALA A 83 5.232 -6.393 -6.598 1.00 54.23 H new ATOM 0 HB2 ALA A 83 6.356 -5.016 -6.500 1.00 54.23 H new ATOM 0 HB3 ALA A 83 4.904 -4.909 -7.524 1.00 54.23 H new ATOM 1185 N ALA A 84 4.763 -6.289 -10.038 1.00 1.43 N ATOM 1186 CA ALA A 84 3.741 -6.927 -10.841 1.00 41.45 C ATOM 1187 C ALA A 84 4.315 -7.752 -11.997 1.00 25.41 C ATOM 1188 O ALA A 84 3.570 -8.443 -12.691 1.00 3.05 O ATOM 1189 CB ALA A 84 2.836 -5.830 -11.378 1.00 0.12 C ATOM 0 H ALA A 84 4.794 -5.275 -10.143 1.00 1.43 H new ATOM 0 HA ALA A 84 3.193 -7.632 -10.216 1.00 41.45 H new ATOM 0 HB1 ALA A 84 2.051 -6.273 -11.990 1.00 0.12 H new ATOM 0 HB2 ALA A 84 2.386 -5.290 -10.545 1.00 0.12 H new ATOM 0 HB3 ALA A 84 3.422 -5.139 -11.984 1.00 0.12 H new ATOM 1195 N ARG A 85 5.628 -7.682 -12.236 1.00 75.32 N ATOM 1196 CA ARG A 85 6.279 -8.462 -13.288 1.00 62.33 C ATOM 1197 C ARG A 85 6.697 -9.842 -12.792 1.00 34.41 C ATOM 1198 O ARG A 85 7.193 -10.641 -13.591 1.00 75.14 O ATOM 1199 CB ARG A 85 7.486 -7.692 -13.821 1.00 12.33 C ATOM 1200 CG ARG A 85 7.069 -6.378 -14.486 1.00 31.14 C ATOM 1201 CD ARG A 85 8.343 -5.642 -14.896 1.00 41.55 C ATOM 1202 NE ARG A 85 8.064 -4.422 -15.676 1.00 61.41 N ATOM 1203 CZ ARG A 85 7.577 -4.365 -16.923 1.00 52.51 C ATOM 1204 NH1 ARG A 85 7.348 -5.482 -17.607 1.00 62.23 N ATOM 1205 NH2 ARG A 85 7.318 -3.190 -17.484 1.00 40.03 N ATOM 0 H ARG A 85 6.265 -7.086 -11.708 1.00 75.32 H new ATOM 0 HA ARG A 85 5.562 -8.615 -14.094 1.00 62.33 H new ATOM 0 HB2 ARG A 85 8.175 -7.483 -13.003 1.00 12.33 H new ATOM 0 HB3 ARG A 85 8.023 -8.310 -14.541 1.00 12.33 H new ATOM 0 HG2 ARG A 85 6.442 -6.572 -15.356 1.00 31.14 H new ATOM 0 HG3 ARG A 85 6.481 -5.771 -13.798 1.00 31.14 H new ATOM 0 HD2 ARG A 85 8.909 -5.377 -14.003 1.00 41.55 H new ATOM 0 HD3 ARG A 85 8.971 -6.310 -15.485 1.00 41.55 H new ATOM 0 HE ARG A 85 8.262 -3.531 -15.220 1.00 61.41 H new ATOM 0 HH11 ARG A 85 7.543 -6.389 -17.183 1.00 62.23 H new ATOM 0 HH12 ARG A 85 6.977 -5.432 -18.556 1.00 62.23 H new ATOM 0 HH21 ARG A 85 7.490 -2.328 -16.966 1.00 40.03 H new ATOM 0 HH22 ARG A 85 6.947 -3.149 -18.433 1.00 40.03 H new ATOM 1216 N ILE A 86 6.556 -10.103 -11.492 1.00 23.53 N ATOM 1217 CA ILE A 86 6.835 -11.395 -10.876 1.00 63.43 C ATOM 1218 C ILE A 86 5.659 -11.841 -9.990 1.00 13.51 C ATOM 1219 O ILE A 86 5.399 -13.044 -9.894 1.00 72.32 O ATOM 1220 CB ILE A 86 8.180 -11.380 -10.097 1.00 22.51 C ATOM 1221 CG1 ILE A 86 9.361 -10.657 -10.794 1.00 62.12 C ATOM 1222 CG2 ILE A 86 8.630 -12.831 -9.864 1.00 2.22 C ATOM 1223 CD1 ILE A 86 9.407 -9.150 -10.521 1.00 25.25 C ATOM 0 H ILE A 86 6.236 -9.402 -10.824 1.00 23.53 H new ATOM 0 HA ILE A 86 6.945 -12.132 -11.672 1.00 63.43 H new ATOM 0 HB ILE A 86 7.964 -10.824 -9.185 1.00 22.51 H new ATOM 0 HG12 ILE A 86 10.297 -11.106 -10.463 1.00 62.12 H new ATOM 0 HG13 ILE A 86 9.292 -10.821 -11.869 1.00 62.12 H new ATOM 0 HG21 ILE A 86 9.573 -12.836 -9.318 1.00 2.22 H new ATOM 0 HG22 ILE A 86 7.872 -13.358 -9.284 1.00 2.22 H new ATOM 0 HG23 ILE A 86 8.764 -13.329 -10.824 1.00 2.22 H new ATOM 0 HD11 ILE A 86 10.259 -8.712 -11.041 1.00 25.25 H new ATOM 0 HD12 ILE A 86 8.487 -8.687 -10.878 1.00 25.25 H new ATOM 0 HD13 ILE A 86 9.508 -8.977 -9.450 1.00 25.25 H new ATOM 1234 N ASP A 87 4.939 -10.919 -9.338 1.00 73.23 N ATOM 1235 CA ASP A 87 3.751 -11.273 -8.561 1.00 53.04 C ATOM 1236 C ASP A 87 2.588 -11.562 -9.512 1.00 51.42 C ATOM 1237 O ASP A 87 2.419 -10.861 -10.516 1.00 52.32 O ATOM 1238 CB ASP A 87 3.373 -10.172 -7.549 1.00 25.21 C ATOM 1239 CG ASP A 87 3.968 -10.425 -6.160 1.00 31.25 C ATOM 1240 OD1 ASP A 87 3.838 -11.557 -5.642 1.00 44.55 O ATOM 1241 OD2 ASP A 87 4.540 -9.499 -5.536 1.00 22.14 O ATOM 0 H ASP A 87 5.161 -9.923 -9.335 1.00 73.23 H new ATOM 0 HA ASP A 87 3.977 -12.168 -7.981 1.00 53.04 H new ATOM 0 HB2 ASP A 87 3.720 -9.207 -7.919 1.00 25.21 H new ATOM 0 HB3 ASP A 87 2.287 -10.112 -7.471 1.00 25.21 H new ATOM 1245 N PRO A 88 1.735 -12.541 -9.166 1.00 5.00 N ATOM 1246 CA PRO A 88 0.827 -13.181 -10.112 1.00 74.43 C ATOM 1247 C PRO A 88 -0.345 -12.281 -10.477 1.00 35.40 C ATOM 1248 O PRO A 88 -0.808 -12.312 -11.617 1.00 22.32 O ATOM 1249 CB PRO A 88 0.355 -14.461 -9.413 1.00 4.03 C ATOM 1250 CG PRO A 88 0.480 -14.122 -7.925 1.00 21.45 C ATOM 1251 CD PRO A 88 1.724 -13.251 -7.897 1.00 22.35 C ATOM 0 HA PRO A 88 1.325 -13.394 -11.058 1.00 74.43 H new ATOM 0 HB2 PRO A 88 -0.671 -14.711 -9.683 1.00 4.03 H new ATOM 0 HB3 PRO A 88 0.973 -15.317 -9.683 1.00 4.03 H new ATOM 0 HG2 PRO A 88 -0.397 -13.592 -7.553 1.00 21.45 H new ATOM 0 HG3 PRO A 88 0.595 -15.016 -7.312 1.00 21.45 H new ATOM 0 HD2 PRO A 88 1.696 -12.555 -7.059 1.00 22.35 H new ATOM 0 HD3 PRO A 88 2.623 -13.856 -7.779 1.00 22.35 H new ATOM 1256 N ASP A 89 -0.816 -11.474 -9.524 1.00 0.04 N ATOM 1257 CA ASP A 89 -1.862 -10.481 -9.713 1.00 21.23 C ATOM 1258 C ASP A 89 -1.899 -9.646 -8.439 1.00 3.41 C ATOM 1259 O ASP A 89 -2.468 -10.058 -7.423 1.00 54.11 O ATOM 1260 CB ASP A 89 -3.230 -11.118 -10.016 1.00 22.11 C ATOM 1261 CG ASP A 89 -3.820 -10.591 -11.325 1.00 60.32 C ATOM 1262 OD1 ASP A 89 -3.778 -9.362 -11.571 1.00 63.23 O ATOM 1263 OD2 ASP A 89 -4.293 -11.416 -12.140 1.00 4.34 O ATOM 0 H ASP A 89 -0.463 -11.499 -8.567 1.00 0.04 H new ATOM 0 HA ASP A 89 -1.643 -9.861 -10.582 1.00 21.23 H new ATOM 0 HB2 ASP A 89 -3.122 -12.201 -10.075 1.00 22.11 H new ATOM 0 HB3 ASP A 89 -3.918 -10.910 -9.197 1.00 22.11 H new ATOM 1267 N ILE A 90 -1.214 -8.510 -8.454 1.00 14.00 N ATOM 1268 CA ILE A 90 -0.960 -7.682 -7.281 1.00 62.14 C ATOM 1269 C ILE A 90 -1.656 -6.331 -7.430 1.00 14.41 C ATOM 1270 O ILE A 90 -1.625 -5.695 -8.479 1.00 74.31 O ATOM 1271 CB ILE A 90 0.559 -7.581 -7.041 1.00 20.23 C ATOM 1272 CG1 ILE A 90 0.904 -6.642 -5.871 1.00 44.13 C ATOM 1273 CG2 ILE A 90 1.297 -7.160 -8.319 1.00 61.14 C ATOM 1274 CD1 ILE A 90 2.338 -6.844 -5.380 1.00 44.02 C ATOM 0 H ILE A 90 -0.808 -8.127 -9.308 1.00 14.00 H new ATOM 0 HA ILE A 90 -1.386 -8.140 -6.388 1.00 62.14 H new ATOM 0 HB ILE A 90 0.901 -8.578 -6.763 1.00 20.23 H new ATOM 0 HG12 ILE A 90 0.770 -5.607 -6.185 1.00 44.13 H new ATOM 0 HG13 ILE A 90 0.211 -6.817 -5.048 1.00 44.13 H new ATOM 0 HG21 ILE A 90 2.366 -7.097 -8.118 1.00 61.14 H new ATOM 0 HG22 ILE A 90 1.118 -7.897 -9.102 1.00 61.14 H new ATOM 0 HG23 ILE A 90 0.932 -6.186 -8.646 1.00 61.14 H new ATOM 0 HD11 ILE A 90 2.539 -6.162 -4.554 1.00 44.02 H new ATOM 0 HD12 ILE A 90 2.465 -7.872 -5.041 1.00 44.02 H new ATOM 0 HD13 ILE A 90 3.033 -6.643 -6.195 1.00 44.02 H new ATOM 1285 N TRP A 91 -2.282 -5.888 -6.353 1.00 60.54 N ATOM 1286 CA TRP A 91 -2.954 -4.610 -6.242 1.00 14.05 C ATOM 1287 C TRP A 91 -1.941 -3.524 -5.886 1.00 43.01 C ATOM 1288 O TRP A 91 -0.867 -3.798 -5.348 1.00 42.12 O ATOM 1289 CB TRP A 91 -4.034 -4.697 -5.162 1.00 2.52 C ATOM 1290 CG TRP A 91 -5.185 -5.618 -5.434 1.00 2.42 C ATOM 1291 CD1 TRP A 91 -5.137 -6.963 -5.541 1.00 12.41 C ATOM 1292 CD2 TRP A 91 -6.591 -5.272 -5.577 1.00 3.00 C ATOM 1293 NE1 TRP A 91 -6.416 -7.463 -5.693 1.00 41.31 N ATOM 1294 CE2 TRP A 91 -7.358 -6.459 -5.711 1.00 3.14 C ATOM 1295 CE3 TRP A 91 -7.285 -4.054 -5.606 1.00 25.31 C ATOM 1296 CZ2 TRP A 91 -8.756 -6.431 -5.830 1.00 12.33 C ATOM 1297 CZ3 TRP A 91 -8.682 -3.998 -5.735 1.00 64.11 C ATOM 1298 CH2 TRP A 91 -9.421 -5.193 -5.830 1.00 14.02 C ATOM 0 H TRP A 91 -2.337 -6.436 -5.495 1.00 60.54 H new ATOM 0 HA TRP A 91 -3.420 -4.358 -7.195 1.00 14.05 H new ATOM 0 HB2 TRP A 91 -3.560 -5.010 -4.231 1.00 2.52 H new ATOM 0 HB3 TRP A 91 -4.431 -3.696 -4.996 1.00 2.52 H new ATOM 0 HD1 TRP A 91 -4.236 -7.558 -5.512 1.00 12.41 H new ATOM 0 HE1 TRP A 91 -6.636 -8.455 -5.781 1.00 41.31 H new ATOM 0 HE3 TRP A 91 -6.729 -3.132 -5.527 1.00 25.31 H new ATOM 0 HZ2 TRP A 91 -9.315 -7.351 -5.921 1.00 12.33 H new ATOM 0 HZ3 TRP A 91 -9.187 -3.044 -5.761 1.00 64.11 H new ATOM 0 HH2 TRP A 91 -10.498 -5.158 -5.903 1.00 14.02 H new ATOM 1308 N VAL A 92 -2.306 -2.274 -6.138 1.00 34.14 N ATOM 1309 CA VAL A 92 -1.508 -1.089 -5.867 1.00 74.22 C ATOM 1310 C VAL A 92 -2.505 -0.095 -5.298 1.00 33.42 C ATOM 1311 O VAL A 92 -3.538 0.154 -5.925 1.00 2.43 O ATOM 1312 CB VAL A 92 -0.849 -0.577 -7.168 1.00 40.25 C ATOM 1313 CG1 VAL A 92 -0.058 0.718 -6.991 1.00 34.34 C ATOM 1314 CG2 VAL A 92 0.123 -1.600 -7.772 1.00 55.05 C ATOM 0 H VAL A 92 -3.209 -2.050 -6.556 1.00 34.14 H new ATOM 0 HA VAL A 92 -0.684 -1.270 -5.176 1.00 74.22 H new ATOM 0 HB VAL A 92 -1.698 -0.401 -7.829 1.00 40.25 H new ATOM 0 HG11 VAL A 92 0.374 1.014 -7.947 1.00 34.34 H new ATOM 0 HG12 VAL A 92 -0.723 1.505 -6.635 1.00 34.34 H new ATOM 0 HG13 VAL A 92 0.740 0.561 -6.265 1.00 34.34 H new ATOM 0 HG21 VAL A 92 0.559 -1.193 -8.684 1.00 55.05 H new ATOM 0 HG22 VAL A 92 0.916 -1.816 -7.055 1.00 55.05 H new ATOM 0 HG23 VAL A 92 -0.415 -2.519 -8.006 1.00 55.05 H new ATOM 1324 N VAL A 93 -2.227 0.440 -4.115 1.00 33.25 N ATOM 1325 CA VAL A 93 -3.047 1.467 -3.497 1.00 14.10 C ATOM 1326 C VAL A 93 -2.126 2.637 -3.187 1.00 12.42 C ATOM 1327 O VAL A 93 -1.010 2.449 -2.702 1.00 22.22 O ATOM 1328 CB VAL A 93 -3.790 0.942 -2.252 1.00 43.03 C ATOM 1329 CG1 VAL A 93 -5.042 1.800 -2.032 1.00 12.14 C ATOM 1330 CG2 VAL A 93 -4.239 -0.523 -2.374 1.00 71.43 C ATOM 0 H VAL A 93 -1.418 0.169 -3.555 1.00 33.25 H new ATOM 0 HA VAL A 93 -3.840 1.788 -4.172 1.00 14.10 H new ATOM 0 HB VAL A 93 -3.089 1.002 -1.420 1.00 43.03 H new ATOM 0 HG11 VAL A 93 -5.579 1.441 -1.154 1.00 12.14 H new ATOM 0 HG12 VAL A 93 -4.749 2.839 -1.879 1.00 12.14 H new ATOM 0 HG13 VAL A 93 -5.689 1.731 -2.907 1.00 12.14 H new ATOM 0 HG21 VAL A 93 -4.754 -0.823 -1.461 1.00 71.43 H new ATOM 0 HG22 VAL A 93 -4.915 -0.627 -3.223 1.00 71.43 H new ATOM 0 HG23 VAL A 93 -3.367 -1.160 -2.524 1.00 71.43 H new ATOM 1340 N GLU A 94 -2.587 3.835 -3.499 1.00 1.21 N ATOM 1341 CA GLU A 94 -1.800 5.051 -3.544 1.00 23.40 C ATOM 1342 C GLU A 94 -2.483 6.015 -2.582 1.00 72.54 C ATOM 1343 O GLU A 94 -3.702 6.168 -2.683 1.00 2.21 O ATOM 1344 CB GLU A 94 -1.825 5.557 -5.002 1.00 14.02 C ATOM 1345 CG GLU A 94 -1.133 4.610 -5.998 1.00 62.34 C ATOM 1346 CD GLU A 94 0.347 4.418 -5.674 1.00 51.24 C ATOM 1347 OE1 GLU A 94 1.081 5.432 -5.666 1.00 45.44 O ATOM 1348 OE2 GLU A 94 0.762 3.277 -5.383 1.00 31.44 O ATOM 0 H GLU A 94 -3.566 3.992 -3.739 1.00 1.21 H new ATOM 0 HA GLU A 94 -0.757 4.925 -3.252 1.00 23.40 H new ATOM 0 HB2 GLU A 94 -2.861 5.700 -5.310 1.00 14.02 H new ATOM 0 HB3 GLU A 94 -1.342 6.533 -5.047 1.00 14.02 H new ATOM 0 HG2 GLU A 94 -1.635 3.642 -5.986 1.00 62.34 H new ATOM 0 HG3 GLU A 94 -1.234 5.009 -7.007 1.00 62.34 H new ATOM 1353 N ILE A 95 -1.751 6.585 -1.617 1.00 53.12 N ATOM 1354 CA ILE A 95 -2.281 7.482 -0.590 1.00 21.42 C ATOM 1355 C ILE A 95 -1.486 8.795 -0.665 1.00 4.01 C ATOM 1356 O ILE A 95 -0.490 8.967 0.047 1.00 75.12 O ATOM 1357 CB ILE A 95 -2.281 6.828 0.831 1.00 52.01 C ATOM 1358 CG1 ILE A 95 -2.510 5.296 0.871 1.00 23.44 C ATOM 1359 CG2 ILE A 95 -3.291 7.551 1.736 1.00 2.13 C ATOM 1360 CD1 ILE A 95 -3.924 4.803 0.536 1.00 54.33 C ATOM 0 H ILE A 95 -0.747 6.429 -1.529 1.00 53.12 H new ATOM 0 HA ILE A 95 -3.334 7.694 -0.779 1.00 21.42 H new ATOM 0 HB ILE A 95 -1.264 6.955 1.202 1.00 52.01 H new ATOM 0 HG12 ILE A 95 -1.813 4.829 0.175 1.00 23.44 H new ATOM 0 HG13 ILE A 95 -2.252 4.939 1.868 1.00 23.44 H new ATOM 0 HG21 ILE A 95 -3.287 7.092 2.725 1.00 2.13 H new ATOM 0 HG22 ILE A 95 -3.015 8.602 1.823 1.00 2.13 H new ATOM 0 HG23 ILE A 95 -4.288 7.473 1.303 1.00 2.13 H new ATOM 0 HD11 ILE A 95 -3.954 3.715 0.599 1.00 54.33 H new ATOM 0 HD12 ILE A 95 -4.635 5.227 1.245 1.00 54.33 H new ATOM 0 HD13 ILE A 95 -4.189 5.116 -0.474 1.00 54.33 H new ATOM 1371 N GLU A 96 -1.902 9.724 -1.532 1.00 54.32 N ATOM 1372 CA GLU A 96 -1.409 11.100 -1.522 1.00 41.31 C ATOM 1373 C GLU A 96 -2.060 11.829 -0.335 1.00 40.43 C ATOM 1374 O GLU A 96 -3.100 12.485 -0.466 1.00 41.02 O ATOM 1375 CB GLU A 96 -1.659 11.804 -2.873 1.00 41.51 C ATOM 1376 CG GLU A 96 -0.519 11.560 -3.874 1.00 32.42 C ATOM 1377 CD GLU A 96 -0.697 12.277 -5.223 1.00 44.03 C ATOM 1378 OE1 GLU A 96 -1.750 12.904 -5.505 1.00 45.32 O ATOM 1379 OE2 GLU A 96 0.258 12.273 -6.037 1.00 60.31 O ATOM 0 H GLU A 96 -2.591 9.540 -2.261 1.00 54.32 H new ATOM 0 HA GLU A 96 -0.327 11.113 -1.393 1.00 41.31 H new ATOM 0 HB2 GLU A 96 -2.597 11.447 -3.299 1.00 41.51 H new ATOM 0 HB3 GLU A 96 -1.772 12.875 -2.707 1.00 41.51 H new ATOM 0 HG2 GLU A 96 0.419 11.885 -3.424 1.00 32.42 H new ATOM 0 HG3 GLU A 96 -0.432 10.488 -4.054 1.00 32.42 H new ATOM 1384 N ASP A 97 -1.472 11.684 0.855 1.00 34.40 N ATOM 1385 CA ASP A 97 -1.949 12.272 2.108 1.00 52.53 C ATOM 1386 C ASP A 97 -1.386 13.680 2.302 1.00 21.22 C ATOM 1387 O ASP A 97 -0.597 14.178 1.495 1.00 63.42 O ATOM 1388 CB ASP A 97 -1.579 11.341 3.271 1.00 34.14 C ATOM 1389 CG ASP A 97 -2.555 11.498 4.429 1.00 13.24 C ATOM 1390 OD1 ASP A 97 -2.419 12.462 5.216 1.00 31.13 O ATOM 1391 OD2 ASP A 97 -3.488 10.676 4.529 1.00 40.01 O ATOM 0 H ASP A 97 -0.621 11.135 0.976 1.00 34.40 H new ATOM 0 HA ASP A 97 -3.034 12.373 2.075 1.00 52.53 H new ATOM 0 HB2 ASP A 97 -1.580 10.306 2.928 1.00 34.14 H new ATOM 0 HB3 ASP A 97 -0.567 11.563 3.611 1.00 34.14 H new ATOM 1395 N ARG A 98 -1.777 14.350 3.380 1.00 22.10 N ATOM 1396 CA ARG A 98 -0.969 15.402 3.956 1.00 61.15 C ATOM 1397 C ARG A 98 0.213 14.750 4.637 1.00 52.34 C ATOM 1398 O ARG A 98 1.255 14.632 4.014 1.00 33.34 O ATOM 1399 CB ARG A 98 -1.815 16.301 4.855 1.00 32.12 C ATOM 1400 CG ARG A 98 -2.638 17.218 3.948 1.00 55.21 C ATOM 1401 CD ARG A 98 -3.395 18.256 4.761 1.00 73.41 C ATOM 1402 NE ARG A 98 -4.230 19.067 3.875 1.00 23.11 N ATOM 1403 CZ ARG A 98 -5.075 20.019 4.270 1.00 60.43 C ATOM 1404 NH1 ARG A 98 -5.162 20.350 5.552 1.00 54.11 N ATOM 1405 NH2 ARG A 98 -5.836 20.622 3.371 1.00 72.44 N ATOM 0 H ARG A 98 -2.655 14.177 3.870 1.00 22.10 H new ATOM 0 HA ARG A 98 -0.577 16.078 3.196 1.00 61.15 H new ATOM 0 HB2 ARG A 98 -2.469 15.702 5.489 1.00 32.12 H new ATOM 0 HB3 ARG A 98 -1.179 16.888 5.517 1.00 32.12 H new ATOM 0 HG2 ARG A 98 -1.980 17.718 3.237 1.00 55.21 H new ATOM 0 HG3 ARG A 98 -3.342 16.623 3.366 1.00 55.21 H new ATOM 0 HD2 ARG A 98 -4.015 17.763 5.510 1.00 73.41 H new ATOM 0 HD3 ARG A 98 -2.693 18.893 5.298 1.00 73.41 H new ATOM 0 HE ARG A 98 -4.160 18.889 2.873 1.00 23.11 H new ATOM 0 HH11 ARG A 98 -4.580 19.875 6.242 1.00 54.11 H new ATOM 0 HH12 ARG A 98 -5.811 21.080 5.847 1.00 54.11 H new ATOM 0 HH21 ARG A 98 -5.772 20.357 2.388 1.00 72.44 H new ATOM 0 HH22 ARG A 98 -6.487 21.352 3.661 1.00 72.44 H new ATOM 1416 N ASP A 99 0.044 14.297 5.873 1.00 22.43 N ATOM 1417 CA ASP A 99 1.144 14.078 6.820 1.00 32.30 C ATOM 1418 C ASP A 99 1.747 12.675 6.679 1.00 43.52 C ATOM 1419 O ASP A 99 1.946 11.965 7.671 1.00 20.42 O ATOM 1420 CB ASP A 99 0.638 14.364 8.243 1.00 73.32 C ATOM 1421 CG ASP A 99 1.769 14.632 9.242 1.00 31.33 C ATOM 1422 OD1 ASP A 99 2.749 15.341 8.905 1.00 61.44 O ATOM 1423 OD2 ASP A 99 1.587 14.341 10.446 1.00 11.41 O ATOM 0 H ASP A 99 -0.872 14.066 6.257 1.00 22.43 H new ATOM 0 HA ASP A 99 1.958 14.767 6.596 1.00 32.30 H new ATOM 0 HB2 ASP A 99 -0.029 15.226 8.218 1.00 73.32 H new ATOM 0 HB3 ASP A 99 0.049 13.515 8.590 1.00 73.32 H new ATOM 1427 N GLY A 100 1.941 12.242 5.427 1.00 45.33 N ATOM 1428 CA GLY A 100 2.451 10.935 5.033 1.00 43.13 C ATOM 1429 C GLY A 100 1.631 9.776 5.597 1.00 42.23 C ATOM 1430 O GLY A 100 2.163 8.682 5.806 1.00 44.52 O ATOM 0 H GLY A 100 1.733 12.832 4.621 1.00 45.33 H new ATOM 0 HA2 GLY A 100 2.462 10.869 3.945 1.00 43.13 H new ATOM 0 HA3 GLY A 100 3.484 10.839 5.368 1.00 43.13 H new ATOM 1434 N ARG A 101 0.353 10.005 5.915 1.00 51.51 N ATOM 1435 CA ARG A 101 -0.485 9.002 6.557 1.00 62.51 C ATOM 1436 C ARG A 101 -0.822 7.890 5.573 1.00 33.44 C ATOM 1437 O ARG A 101 -0.682 8.021 4.356 1.00 3.40 O ATOM 1438 CB ARG A 101 -1.734 9.656 7.173 1.00 32.13 C ATOM 1439 CG ARG A 101 -1.629 9.822 8.687 1.00 42.41 C ATOM 1440 CD ARG A 101 -2.041 8.546 9.435 1.00 21.44 C ATOM 1441 NE ARG A 101 -1.225 8.274 10.632 1.00 35.20 N ATOM 1442 CZ ARG A 101 -0.934 9.081 11.662 1.00 1.52 C ATOM 1443 NH1 ARG A 101 -1.436 10.312 11.767 1.00 14.00 N ATOM 1444 NH2 ARG A 101 -0.170 8.624 12.640 1.00 53.44 N ATOM 0 H ARG A 101 -0.123 10.889 5.733 1.00 51.51 H new ATOM 0 HA ARG A 101 0.063 8.543 7.380 1.00 62.51 H new ATOM 0 HB2 ARG A 101 -1.890 10.633 6.715 1.00 32.13 H new ATOM 0 HB3 ARG A 101 -2.609 9.050 6.938 1.00 32.13 H new ATOM 0 HG2 ARG A 101 -0.605 10.084 8.953 1.00 42.41 H new ATOM 0 HG3 ARG A 101 -2.262 10.650 9.006 1.00 42.41 H new ATOM 0 HD2 ARG A 101 -3.087 8.630 9.730 1.00 21.44 H new ATOM 0 HD3 ARG A 101 -1.968 7.697 8.755 1.00 21.44 H new ATOM 0 HE ARG A 101 -0.824 7.337 10.684 1.00 35.20 H new ATOM 0 HH11 ARG A 101 -2.065 10.669 11.048 1.00 14.00 H new ATOM 0 HH12 ARG A 101 -1.191 10.896 12.566 1.00 14.00 H new ATOM 0 HH21 ARG A 101 0.189 7.670 12.604 1.00 53.44 H new ATOM 0 HH22 ARG A 101 0.061 9.226 13.431 1.00 53.44 H new ATOM 1455 N HIS A 102 -1.250 6.769 6.142 1.00 13.03 N ATOM 1456 CA HIS A 102 -1.360 5.486 5.468 1.00 55.23 C ATOM 1457 C HIS A 102 -2.733 4.869 5.701 1.00 15.40 C ATOM 1458 O HIS A 102 -3.198 4.114 4.856 1.00 5.42 O ATOM 1459 CB HIS A 102 -0.248 4.560 5.983 1.00 61.53 C ATOM 1460 CG HIS A 102 -0.234 4.413 7.489 1.00 42.03 C ATOM 1461 ND1 HIS A 102 -0.805 3.397 8.229 1.00 63.41 N ATOM 1462 CD2 HIS A 102 0.280 5.327 8.369 1.00 60.22 C ATOM 1463 CE1 HIS A 102 -0.672 3.717 9.527 1.00 0.31 C ATOM 1464 NE2 HIS A 102 -0.031 4.891 9.659 1.00 41.01 N ATOM 0 H HIS A 102 -1.539 6.730 7.119 1.00 13.03 H new ATOM 0 HA HIS A 102 -1.245 5.627 4.393 1.00 55.23 H new ATOM 0 HB2 HIS A 102 -0.368 3.575 5.531 1.00 61.53 H new ATOM 0 HB3 HIS A 102 0.717 4.946 5.655 1.00 61.53 H new ATOM 0 HD2 HIS A 102 0.827 6.222 8.112 1.00 60.22 H new ATOM 0 HE1 HIS A 102 -1.030 3.115 10.349 1.00 0.31 H new ATOM 0 HE2 HIS A 102 0.186 5.371 10.532 1.00 41.01 H new ATOM 1471 N PHE A 103 -3.401 5.175 6.824 1.00 71.35 N ATOM 1472 CA PHE A 103 -4.773 4.759 7.127 1.00 11.10 C ATOM 1473 C PHE A 103 -5.009 3.234 7.159 1.00 45.03 C ATOM 1474 O PHE A 103 -6.145 2.778 7.324 1.00 53.34 O ATOM 1475 CB PHE A 103 -5.738 5.569 6.246 1.00 73.15 C ATOM 1476 CG PHE A 103 -5.923 6.974 6.777 1.00 60.12 C ATOM 1477 CD1 PHE A 103 -6.880 7.199 7.786 1.00 2.20 C ATOM 1478 CD2 PHE A 103 -5.103 8.031 6.334 1.00 12.14 C ATOM 1479 CE1 PHE A 103 -7.030 8.475 8.350 1.00 73.24 C ATOM 1480 CE2 PHE A 103 -5.246 9.300 6.927 1.00 3.33 C ATOM 1481 CZ PHE A 103 -6.201 9.525 7.930 1.00 42.43 C ATOM 0 H PHE A 103 -2.985 5.736 7.567 1.00 71.35 H new ATOM 0 HA PHE A 103 -4.986 5.002 8.168 1.00 11.10 H new ATOM 0 HB2 PHE A 103 -5.354 5.611 5.227 1.00 73.15 H new ATOM 0 HB3 PHE A 103 -6.703 5.065 6.202 1.00 73.15 H new ATOM 0 HD1 PHE A 103 -7.502 6.385 8.127 1.00 2.20 H new ATOM 0 HD2 PHE A 103 -4.376 7.870 5.552 1.00 12.14 H new ATOM 0 HE1 PHE A 103 -7.782 8.648 9.106 1.00 73.24 H new ATOM 0 HE2 PHE A 103 -4.611 10.112 6.605 1.00 3.33 H new ATOM 0 HZ PHE A 103 -6.297 10.503 8.377 1.00 42.43 H new ATOM 1490 N LEU A 104 -3.939 2.437 7.086 1.00 4.20 N ATOM 1491 CA LEU A 104 -3.949 0.978 7.151 1.00 42.03 C ATOM 1492 C LEU A 104 -4.429 0.510 8.521 1.00 45.15 C ATOM 1493 O LEU A 104 -4.041 1.078 9.541 1.00 4.24 O ATOM 1494 CB LEU A 104 -2.534 0.420 6.882 1.00 40.22 C ATOM 1495 CG LEU A 104 -1.993 0.766 5.483 1.00 33.34 C ATOM 1496 CD1 LEU A 104 -0.480 0.534 5.406 1.00 0.05 C ATOM 1497 CD2 LEU A 104 -2.717 -0.036 4.401 1.00 11.02 C ATOM 0 H LEU A 104 -2.997 2.813 6.975 1.00 4.20 H new ATOM 0 HA LEU A 104 -4.632 0.606 6.387 1.00 42.03 H new ATOM 0 HB2 LEU A 104 -1.849 0.811 7.635 1.00 40.22 H new ATOM 0 HB3 LEU A 104 -2.551 -0.664 6.998 1.00 40.22 H new ATOM 0 HG LEU A 104 -2.184 1.824 5.306 1.00 33.34 H new ATOM 0 HD11 LEU A 104 -0.124 0.786 4.407 1.00 0.05 H new ATOM 0 HD12 LEU A 104 0.022 1.164 6.140 1.00 0.05 H new ATOM 0 HD13 LEU A 104 -0.261 -0.513 5.616 1.00 0.05 H new ATOM 0 HD21 LEU A 104 -2.315 0.228 3.423 1.00 11.02 H new ATOM 0 HD22 LEU A 104 -2.570 -1.101 4.578 1.00 11.02 H new ATOM 0 HD23 LEU A 104 -3.782 0.193 4.430 1.00 11.02 H new ATOM 1508 N THR A 105 -5.224 -0.557 8.554 1.00 34.30 N ATOM 1509 CA THR A 105 -5.784 -1.137 9.776 1.00 13.04 C ATOM 1510 C THR A 105 -4.770 -2.022 10.539 1.00 62.31 C ATOM 1511 O THR A 105 -5.110 -2.588 11.579 1.00 64.11 O ATOM 1512 CB THR A 105 -7.088 -1.868 9.368 1.00 34.11 C ATOM 1513 OG1 THR A 105 -7.877 -2.281 10.463 1.00 31.42 O ATOM 1514 CG2 THR A 105 -6.858 -3.111 8.505 1.00 64.44 C ATOM 0 H THR A 105 -5.505 -1.056 7.710 1.00 34.30 H new ATOM 0 HA THR A 105 -6.020 -0.359 10.502 1.00 13.04 H new ATOM 0 HB THR A 105 -7.611 -1.103 8.794 1.00 34.11 H new ATOM 0 HG1 THR A 105 -7.294 -2.544 11.206 1.00 31.42 H new ATOM 0 HG21 THR A 105 -7.817 -3.567 8.261 1.00 64.44 H new ATOM 0 HG22 THR A 105 -6.347 -2.826 7.585 1.00 64.44 H new ATOM 0 HG23 THR A 105 -6.246 -3.827 9.054 1.00 64.44 H new ATOM 1522 N GLU A 106 -3.534 -2.161 10.052 1.00 12.11 N ATOM 1523 CA GLU A 106 -2.622 -3.278 10.325 1.00 62.14 C ATOM 1524 C GLU A 106 -1.244 -2.776 10.791 1.00 62.45 C ATOM 1525 O GLU A 106 -0.944 -1.588 10.609 1.00 5.20 O ATOM 1526 CB GLU A 106 -2.493 -4.076 9.014 1.00 53.13 C ATOM 1527 CG GLU A 106 -3.608 -5.125 8.854 1.00 71.34 C ATOM 1528 CD GLU A 106 -3.921 -5.492 7.398 1.00 1.10 C ATOM 1529 OE1 GLU A 106 -3.455 -4.794 6.465 1.00 0.12 O ATOM 1530 OE2 GLU A 106 -4.706 -6.440 7.168 1.00 45.04 O ATOM 0 H GLU A 106 -3.122 -1.467 9.428 1.00 12.11 H new ATOM 0 HA GLU A 106 -3.014 -3.901 11.129 1.00 62.14 H new ATOM 0 HB2 GLU A 106 -2.521 -3.388 8.169 1.00 53.13 H new ATOM 0 HB3 GLU A 106 -1.523 -4.573 8.988 1.00 53.13 H new ATOM 0 HG2 GLU A 106 -3.321 -6.029 9.391 1.00 71.34 H new ATOM 0 HG3 GLU A 106 -4.516 -4.749 9.325 1.00 71.34 H new ATOM 1535 N PRO A 107 -0.399 -3.656 11.366 1.00 24.43 N ATOM 1536 CA PRO A 107 0.973 -3.340 11.747 1.00 32.41 C ATOM 1537 C PRO A 107 1.832 -2.976 10.537 1.00 73.13 C ATOM 1538 O PRO A 107 1.782 -3.653 9.505 1.00 0.04 O ATOM 1539 CB PRO A 107 1.522 -4.598 12.426 1.00 1.50 C ATOM 1540 CG PRO A 107 0.628 -5.727 11.934 1.00 12.25 C ATOM 1541 CD PRO A 107 -0.711 -5.036 11.720 1.00 12.25 C ATOM 0 HA PRO A 107 0.995 -2.473 12.408 1.00 32.41 H new ATOM 0 HB2 PRO A 107 2.563 -4.771 12.155 1.00 1.50 H new ATOM 0 HB3 PRO A 107 1.486 -4.509 13.512 1.00 1.50 H new ATOM 0 HG2 PRO A 107 1.006 -6.168 11.012 1.00 12.25 H new ATOM 0 HG3 PRO A 107 0.554 -6.532 12.666 1.00 12.25 H new ATOM 0 HD2 PRO A 107 -1.279 -5.523 10.928 1.00 12.25 H new ATOM 0 HD3 PRO A 107 -1.321 -5.079 12.622 1.00 12.25 H new ATOM 1546 N VAL A 108 2.657 -1.941 10.692 1.00 35.14 N ATOM 1547 CA VAL A 108 3.497 -1.407 9.643 1.00 44.54 C ATOM 1548 C VAL A 108 4.872 -1.020 10.196 1.00 33.25 C ATOM 1549 O VAL A 108 4.993 -0.427 11.273 1.00 33.43 O ATOM 1550 CB VAL A 108 2.721 -0.292 8.920 1.00 74.42 C ATOM 1551 CG1 VAL A 108 2.058 0.762 9.811 1.00 20.40 C ATOM 1552 CG2 VAL A 108 3.582 0.393 7.855 1.00 2.44 C ATOM 0 H VAL A 108 2.755 -1.444 11.577 1.00 35.14 H new ATOM 0 HA VAL A 108 3.728 -2.155 8.884 1.00 44.54 H new ATOM 0 HB VAL A 108 1.894 -0.829 8.455 1.00 74.42 H new ATOM 0 HG11 VAL A 108 1.543 1.493 9.188 1.00 20.40 H new ATOM 0 HG12 VAL A 108 1.340 0.279 10.473 1.00 20.40 H new ATOM 0 HG13 VAL A 108 2.819 1.266 10.407 1.00 20.40 H new ATOM 0 HG21 VAL A 108 3.001 1.175 7.365 1.00 2.44 H new ATOM 0 HG22 VAL A 108 4.460 0.835 8.326 1.00 2.44 H new ATOM 0 HG23 VAL A 108 3.898 -0.342 7.115 1.00 2.44 H new ATOM 1562 N GLU A 109 5.898 -1.412 9.445 1.00 33.44 N ATOM 1563 CA GLU A 109 7.318 -1.314 9.741 1.00 15.52 C ATOM 1564 C GLU A 109 7.929 -0.039 9.162 1.00 54.11 C ATOM 1565 O GLU A 109 7.261 0.762 8.501 1.00 33.41 O ATOM 1566 CB GLU A 109 7.993 -2.572 9.168 1.00 22.50 C ATOM 1567 CG GLU A 109 8.274 -3.608 10.253 1.00 34.40 C ATOM 1568 CD GLU A 109 9.711 -3.508 10.753 1.00 15.33 C ATOM 1569 OE1 GLU A 109 10.168 -2.393 11.101 1.00 75.21 O ATOM 1570 OE2 GLU A 109 10.377 -4.566 10.786 1.00 60.12 O ATOM 0 H GLU A 109 5.739 -1.844 8.535 1.00 33.44 H new ATOM 0 HA GLU A 109 7.474 -1.257 10.818 1.00 15.52 H new ATOM 0 HB2 GLU A 109 7.353 -3.011 8.403 1.00 22.50 H new ATOM 0 HB3 GLU A 109 8.927 -2.293 8.681 1.00 22.50 H new ATOM 0 HG2 GLU A 109 7.586 -3.462 11.086 1.00 34.40 H new ATOM 0 HG3 GLU A 109 8.092 -4.608 9.860 1.00 34.40 H new ATOM 1575 N SER A 110 9.216 0.159 9.440 1.00 40.51 N ATOM 1576 CA SER A 110 9.929 1.393 9.165 1.00 4.00 C ATOM 1577 C SER A 110 11.331 1.064 8.674 1.00 73.52 C ATOM 1578 O SER A 110 11.474 0.130 7.860 1.00 52.31 O ATOM 1579 CB SER A 110 9.885 2.232 10.439 1.00 54.12 C ATOM 1580 OG SER A 110 10.193 3.590 10.173 1.00 21.32 O ATOM 0 H SER A 110 9.801 -0.555 9.873 1.00 40.51 H new ATOM 0 HA SER A 110 9.473 1.980 8.368 1.00 4.00 H new ATOM 0 HB2 SER A 110 8.894 2.163 10.888 1.00 54.12 H new ATOM 0 HB3 SER A 110 10.593 1.832 11.165 1.00 54.12 H new ATOM 0 HG SER A 110 10.155 4.103 11.007 1.00 21.32 H new TER 1585 SER A 110