USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -174:sc= -2.19! (180deg=-2.31!) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.19 (180deg=1.12) USER MOD Single : A 3 MET CE :methyl -139:sc= -1.13 (180deg=-3.04!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0489 (180deg=-0.289) USER MOD Single : A 22 MET CE :methyl -112:sc= -0.0536 (180deg=-1.06) USER MOD Single : A 25 GLN :FLIP amide:sc=-0.00597 F(o=-0.64,f=-0.006) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 114:sc= -1.26! USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 47 THR OG1 : rot -101:sc= 0.541 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0743) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= -0.0369 (180deg=-0.207) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.437 F(o=-0.97,f=-0.44) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.82! USER MOD Single : A 73 THR OG1 : rot 90:sc= -0.285 USER MOD Single : A 74 TYR OH : rot -144:sc= 0.344 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.198 13.701 4.070 1.00 24.21 N ATOM 2 CA MET A 1 -3.035 12.607 4.643 1.00 50.02 C ATOM 3 C MET A 1 -2.262 11.287 4.711 1.00 64.41 C ATOM 4 O MET A 1 -1.173 11.163 4.144 1.00 21.33 O ATOM 5 CB MET A 1 -4.317 12.410 3.820 1.00 12.02 C ATOM 6 CG MET A 1 -5.248 13.614 3.833 1.00 74.03 C ATOM 7 SD MET A 1 -6.830 13.283 3.031 1.00 1.43 S ATOM 8 CE MET A 1 -6.310 13.012 1.340 1.00 43.35 C ATOM 0 H1 MET A 1 -2.700 14.607 4.162 1.00 24.21 H new ATOM 0 H2 MET A 1 -1.295 13.752 4.583 1.00 24.21 H new ATOM 0 H3 MET A 1 -2.015 13.508 3.065 1.00 24.21 H new ATOM 0 HA MET A 1 -3.303 12.905 5.657 1.00 50.02 H new ATOM 0 HB2 MET A 1 -4.044 12.185 2.789 1.00 12.02 H new ATOM 0 HB3 MET A 1 -4.854 11.543 4.204 1.00 12.02 H new ATOM 0 HG2 MET A 1 -5.425 13.919 4.864 1.00 74.03 H new ATOM 0 HG3 MET A 1 -4.760 14.450 3.332 1.00 74.03 H new ATOM 0 HE1 MET A 1 -7.187 12.901 0.703 1.00 43.35 H new ATOM 0 HE2 MET A 1 -5.720 13.863 1.000 1.00 43.35 H new ATOM 0 HE3 MET A 1 -5.706 12.106 1.286 1.00 43.35 H new ATOM 20 N GLU A 2 -2.836 10.299 5.400 1.00 35.41 N ATOM 21 CA GLU A 2 -2.187 8.996 5.582 1.00 72.51 C ATOM 22 C GLU A 2 -3.077 7.839 5.093 1.00 71.33 C ATOM 23 O GLU A 2 -4.287 7.996 4.906 1.00 5.05 O ATOM 24 CB GLU A 2 -1.823 8.795 7.061 1.00 42.00 C ATOM 25 CG GLU A 2 -0.881 9.860 7.609 1.00 2.41 C ATOM 26 CD GLU A 2 -0.607 9.705 9.097 1.00 31.42 C ATOM 27 OE1 GLU A 2 0.202 8.832 9.471 1.00 51.44 O ATOM 28 OE2 GLU A 2 -1.201 10.463 9.893 1.00 14.13 O ATOM 0 H GLU A 2 -3.752 10.375 5.843 1.00 35.41 H new ATOM 0 HA GLU A 2 -1.279 8.989 4.979 1.00 72.51 H new ATOM 0 HB2 GLU A 2 -2.738 8.791 7.654 1.00 42.00 H new ATOM 0 HB3 GLU A 2 -1.360 7.816 7.183 1.00 42.00 H new ATOM 0 HG2 GLU A 2 0.063 9.816 7.065 1.00 2.41 H new ATOM 0 HG3 GLU A 2 -1.310 10.845 7.425 1.00 2.41 H new ATOM 35 N MET A 3 -2.464 6.676 4.889 1.00 73.55 N ATOM 36 CA MET A 3 -3.174 5.499 4.365 1.00 50.44 C ATOM 37 C MET A 3 -2.662 4.198 5.004 1.00 63.30 C ATOM 38 O MET A 3 -1.526 3.794 4.768 1.00 43.43 O ATOM 39 CB MET A 3 -3.000 5.434 2.840 1.00 44.23 C ATOM 40 CG MET A 3 -3.662 4.231 2.174 1.00 33.24 C ATOM 41 SD MET A 3 -3.357 4.187 0.392 1.00 5.34 S ATOM 42 CE MET A 3 -4.252 2.713 -0.091 1.00 74.14 C ATOM 0 H MET A 3 -1.474 6.517 5.077 1.00 73.55 H new ATOM 0 HA MET A 3 -4.230 5.600 4.616 1.00 50.44 H new ATOM 0 HB2 MET A 3 -3.408 6.345 2.402 1.00 44.23 H new ATOM 0 HB3 MET A 3 -1.935 5.419 2.610 1.00 44.23 H new ATOM 0 HG2 MET A 3 -3.287 3.314 2.628 1.00 33.24 H new ATOM 0 HG3 MET A 3 -4.736 4.261 2.357 1.00 33.24 H new ATOM 0 HE1 MET A 3 -3.667 2.155 -0.822 1.00 74.14 H new ATOM 0 HE2 MET A 3 -4.426 2.090 0.786 1.00 74.14 H new ATOM 0 HE3 MET A 3 -5.208 2.996 -0.531 1.00 74.14 H new ATOM 52 N ASP A 4 -3.506 3.555 5.811 1.00 62.42 N ATOM 53 CA ASP A 4 -3.177 2.257 6.416 1.00 71.32 C ATOM 54 C ASP A 4 -3.543 1.100 5.473 1.00 62.13 C ATOM 55 O ASP A 4 -4.704 0.938 5.100 1.00 41.50 O ATOM 56 CB ASP A 4 -3.910 2.098 7.751 1.00 12.34 C ATOM 57 CG ASP A 4 -3.313 2.964 8.845 1.00 61.44 C ATOM 58 OD1 ASP A 4 -3.410 4.203 8.752 1.00 10.12 O ATOM 59 OD2 ASP A 4 -2.722 2.403 9.793 1.00 53.41 O ATOM 0 H ASP A 4 -4.428 3.911 6.064 1.00 62.42 H new ATOM 0 HA ASP A 4 -2.102 2.226 6.591 1.00 71.32 H new ATOM 0 HB2 ASP A 4 -4.960 2.357 7.619 1.00 12.34 H new ATOM 0 HB3 ASP A 4 -3.876 1.053 8.059 1.00 12.34 H new ATOM 64 N ILE A 5 -2.552 0.293 5.103 1.00 32.25 N ATOM 65 CA ILE A 5 -2.734 -0.777 4.109 1.00 15.43 C ATOM 66 C ILE A 5 -2.313 -2.150 4.663 1.00 1.52 C ATOM 67 O ILE A 5 -1.418 -2.245 5.496 1.00 34.02 O ATOM 68 CB ILE A 5 -1.897 -0.493 2.833 1.00 41.32 C ATOM 69 CG1 ILE A 5 -2.074 0.963 2.376 1.00 1.30 C ATOM 70 CG2 ILE A 5 -2.278 -1.459 1.708 1.00 73.13 C ATOM 71 CD1 ILE A 5 -1.157 1.363 1.241 1.00 63.52 C ATOM 0 H ILE A 5 -1.605 0.356 5.477 1.00 32.25 H new ATOM 0 HA ILE A 5 -3.797 -0.797 3.867 1.00 15.43 H new ATOM 0 HB ILE A 5 -0.846 -0.649 3.078 1.00 41.32 H new ATOM 0 HG12 ILE A 5 -3.108 1.113 2.065 1.00 1.30 H new ATOM 0 HG13 ILE A 5 -1.897 1.624 3.224 1.00 1.30 H new ATOM 0 HG21 ILE A 5 -1.679 -1.242 0.824 1.00 73.13 H new ATOM 0 HG22 ILE A 5 -2.092 -2.484 2.030 1.00 73.13 H new ATOM 0 HG23 ILE A 5 -3.335 -1.340 1.469 1.00 73.13 H new ATOM 0 HD11 ILE A 5 -1.341 2.404 0.974 1.00 63.52 H new ATOM 0 HD12 ILE A 5 -0.119 1.246 1.553 1.00 63.52 H new ATOM 0 HD13 ILE A 5 -1.349 0.727 0.377 1.00 63.52 H new ATOM 83 N ARG A 6 -2.988 -3.202 4.212 1.00 54.14 N ATOM 84 CA ARG A 6 -2.577 -4.584 4.497 1.00 3.22 C ATOM 85 C ARG A 6 -2.671 -5.460 3.232 1.00 14.45 C ATOM 86 O ARG A 6 -3.768 -5.739 2.741 1.00 40.02 O ATOM 87 CB ARG A 6 -3.435 -5.208 5.613 1.00 72.54 C ATOM 88 CG ARG A 6 -3.108 -4.719 7.026 1.00 50.34 C ATOM 89 CD ARG A 6 -3.859 -5.534 8.080 1.00 74.51 C ATOM 90 NE ARG A 6 -3.460 -5.200 9.449 1.00 15.53 N ATOM 91 CZ ARG A 6 -2.925 -6.055 10.290 1.00 45.41 C ATOM 92 NH1 ARG A 6 -2.582 -7.242 9.906 1.00 73.41 N ATOM 93 NH2 ARG A 6 -2.687 -5.706 11.509 1.00 71.14 N ATOM 0 H ARG A 6 -3.831 -3.129 3.642 1.00 54.14 H new ATOM 0 HA ARG A 6 -1.540 -4.546 4.832 1.00 3.22 H new ATOM 0 HB2 ARG A 6 -4.484 -4.998 5.405 1.00 72.54 H new ATOM 0 HB3 ARG A 6 -3.314 -6.291 5.582 1.00 72.54 H new ATOM 0 HG2 ARG A 6 -2.035 -4.794 7.201 1.00 50.34 H new ATOM 0 HG3 ARG A 6 -3.373 -3.666 7.120 1.00 50.34 H new ATOM 0 HD2 ARG A 6 -4.930 -5.365 7.968 1.00 74.51 H new ATOM 0 HD3 ARG A 6 -3.684 -6.595 7.904 1.00 74.51 H new ATOM 0 HE ARG A 6 -3.607 -4.243 9.769 1.00 15.53 H new ATOM 0 HH11 ARG A 6 -2.726 -7.526 8.937 1.00 73.41 H new ATOM 0 HH12 ARG A 6 -2.168 -7.894 10.572 1.00 73.41 H new ATOM 0 HH21 ARG A 6 -2.915 -4.763 11.823 1.00 71.14 H new ATOM 0 HH22 ARG A 6 -2.271 -6.373 12.159 1.00 71.14 H new ATOM 107 N PHE A 7 -1.522 -5.873 2.690 1.00 11.43 N ATOM 108 CA PHE A 7 -1.495 -6.849 1.590 1.00 31.20 C ATOM 109 C PHE A 7 -1.439 -8.273 2.159 1.00 15.14 C ATOM 110 O PHE A 7 -0.518 -8.609 2.902 1.00 32.10 O ATOM 111 CB PHE A 7 -0.276 -6.611 0.682 1.00 20.41 C ATOM 112 CG PHE A 7 -0.381 -5.391 -0.203 1.00 71.24 C ATOM 113 CD1 PHE A 7 0.053 -4.146 0.236 1.00 22.44 C ATOM 114 CD2 PHE A 7 -0.902 -5.497 -1.487 1.00 41.32 C ATOM 115 CE1 PHE A 7 -0.033 -3.038 -0.587 1.00 0.22 C ATOM 116 CE2 PHE A 7 -0.987 -4.393 -2.312 1.00 60.54 C ATOM 117 CZ PHE A 7 -0.551 -3.162 -1.862 1.00 70.53 C ATOM 0 H PHE A 7 -0.602 -5.551 2.991 1.00 11.43 H new ATOM 0 HA PHE A 7 -2.402 -6.726 0.998 1.00 31.20 H new ATOM 0 HB2 PHE A 7 0.613 -6.516 1.306 1.00 20.41 H new ATOM 0 HB3 PHE A 7 -0.131 -7.489 0.053 1.00 20.41 H new ATOM 0 HD1 PHE A 7 0.462 -4.043 1.230 1.00 22.44 H new ATOM 0 HD2 PHE A 7 -1.245 -6.457 -1.845 1.00 41.32 H new ATOM 0 HE1 PHE A 7 0.305 -2.075 -0.233 1.00 0.22 H new ATOM 0 HE2 PHE A 7 -1.394 -4.492 -3.308 1.00 60.54 H new ATOM 0 HZ PHE A 7 -0.615 -2.297 -2.506 1.00 70.53 H new ATOM 127 N ARG A 8 -2.392 -9.120 1.774 1.00 55.02 N ATOM 128 CA ARG A 8 -2.527 -10.455 2.372 1.00 61.12 C ATOM 129 C ARG A 8 -2.486 -11.564 1.310 1.00 70.13 C ATOM 130 O ARG A 8 -3.269 -11.560 0.355 1.00 44.42 O ATOM 131 CB ARG A 8 -3.842 -10.538 3.163 1.00 20.33 C ATOM 132 CG ARG A 8 -4.020 -11.841 3.938 1.00 41.32 C ATOM 133 CD ARG A 8 -5.324 -11.856 4.726 1.00 63.25 C ATOM 134 NE ARG A 8 -5.478 -13.083 5.504 1.00 10.32 N ATOM 135 CZ ARG A 8 -6.224 -13.189 6.573 1.00 13.44 C ATOM 136 NH1 ARG A 8 -6.909 -12.178 7.005 1.00 63.04 N ATOM 137 NH2 ARG A 8 -6.292 -14.311 7.209 1.00 71.14 N ATOM 0 H ARG A 8 -3.082 -8.910 1.053 1.00 55.02 H new ATOM 0 HA ARG A 8 -1.681 -10.607 3.042 1.00 61.12 H new ATOM 0 HB2 ARG A 8 -3.887 -9.703 3.862 1.00 20.33 H new ATOM 0 HB3 ARG A 8 -4.677 -10.421 2.473 1.00 20.33 H new ATOM 0 HG2 ARG A 8 -4.005 -12.682 3.244 1.00 41.32 H new ATOM 0 HG3 ARG A 8 -3.181 -11.976 4.621 1.00 41.32 H new ATOM 0 HD2 ARG A 8 -5.353 -10.996 5.395 1.00 63.25 H new ATOM 0 HD3 ARG A 8 -6.164 -11.754 4.039 1.00 63.25 H new ATOM 0 HE ARG A 8 -4.970 -13.911 5.193 1.00 10.32 H new ATOM 0 HH11 ARG A 8 -6.870 -11.287 6.510 1.00 63.04 H new ATOM 0 HH12 ARG A 8 -7.487 -12.273 7.840 1.00 63.04 H new ATOM 0 HH21 ARG A 8 -5.763 -15.118 6.878 1.00 71.14 H new ATOM 0 HH22 ARG A 8 -6.875 -14.390 8.042 1.00 71.14 H new ATOM 151 N GLY A 9 -1.579 -12.523 1.493 1.00 43.31 N ATOM 152 CA GLY A 9 -1.466 -13.633 0.556 1.00 2.53 C ATOM 153 C GLY A 9 -0.239 -14.511 0.793 1.00 23.03 C ATOM 154 O GLY A 9 0.433 -14.401 1.820 1.00 1.32 O ATOM 0 H GLY A 9 -0.921 -12.552 2.272 1.00 43.31 H new ATOM 0 HA2 GLY A 9 -2.362 -14.249 0.626 1.00 2.53 H new ATOM 0 HA3 GLY A 9 -1.429 -13.238 -0.459 1.00 2.53 H new ATOM 158 N ASP A 10 0.047 -15.382 -0.170 1.00 21.21 N ATOM 159 CA ASP A 10 1.178 -16.307 -0.088 1.00 33.01 C ATOM 160 C ASP A 10 2.122 -16.127 -1.292 1.00 15.11 C ATOM 161 O ASP A 10 1.926 -16.743 -2.343 1.00 30.14 O ATOM 162 CB ASP A 10 0.657 -17.751 -0.010 1.00 43.44 C ATOM 163 CG ASP A 10 1.771 -18.785 0.017 1.00 32.41 C ATOM 164 OD1 ASP A 10 2.473 -18.879 1.045 1.00 74.23 O ATOM 165 OD2 ASP A 10 1.947 -19.508 -0.986 1.00 74.43 O ATOM 0 H ASP A 10 -0.496 -15.468 -1.029 1.00 21.21 H new ATOM 0 HA ASP A 10 1.750 -16.089 0.814 1.00 33.01 H new ATOM 0 HB2 ASP A 10 0.044 -17.862 0.884 1.00 43.44 H new ATOM 0 HB3 ASP A 10 0.010 -17.945 -0.866 1.00 43.44 H new ATOM 170 N ASP A 11 3.110 -15.242 -1.138 1.00 23.34 N ATOM 171 CA ASP A 11 4.115 -14.988 -2.181 1.00 35.55 C ATOM 172 C ASP A 11 5.177 -13.994 -1.672 1.00 11.10 C ATOM 173 O ASP A 11 4.855 -13.046 -0.952 1.00 21.14 O ATOM 174 CB ASP A 11 3.445 -14.442 -3.453 1.00 22.53 C ATOM 175 CG ASP A 11 4.365 -14.477 -4.660 1.00 25.10 C ATOM 176 OD1 ASP A 11 5.198 -13.559 -4.811 1.00 62.30 O ATOM 177 OD2 ASP A 11 4.266 -15.432 -5.463 1.00 42.32 O ATOM 0 H ASP A 11 3.238 -14.683 -0.294 1.00 23.34 H new ATOM 0 HA ASP A 11 4.605 -15.931 -2.423 1.00 35.55 H new ATOM 0 HB2 ASP A 11 2.550 -15.026 -3.667 1.00 22.53 H new ATOM 0 HB3 ASP A 11 3.122 -13.416 -3.277 1.00 22.53 H new ATOM 182 N LEU A 12 6.434 -14.207 -2.046 1.00 21.02 N ATOM 183 CA LEU A 12 7.536 -13.368 -1.559 1.00 12.15 C ATOM 184 C LEU A 12 7.774 -12.148 -2.470 1.00 34.41 C ATOM 185 O LEU A 12 8.042 -11.045 -1.988 1.00 71.22 O ATOM 186 CB LEU A 12 8.824 -14.197 -1.428 1.00 52.24 C ATOM 187 CG LEU A 12 10.008 -13.465 -0.767 1.00 72.32 C ATOM 188 CD1 LEU A 12 9.632 -12.986 0.634 1.00 60.22 C ATOM 189 CD2 LEU A 12 11.242 -14.366 -0.718 1.00 73.42 C ATOM 0 H LEU A 12 6.720 -14.950 -2.683 1.00 21.02 H new ATOM 0 HA LEU A 12 7.252 -12.993 -0.576 1.00 12.15 H new ATOM 0 HB2 LEU A 12 8.603 -15.094 -0.850 1.00 52.24 H new ATOM 0 HB3 LEU A 12 9.129 -14.525 -2.422 1.00 52.24 H new ATOM 0 HG LEU A 12 10.249 -12.591 -1.372 1.00 72.32 H new ATOM 0 HD11 LEU A 12 10.482 -12.472 1.083 1.00 60.22 H new ATOM 0 HD12 LEU A 12 8.786 -12.301 0.570 1.00 60.22 H new ATOM 0 HD13 LEU A 12 9.359 -13.843 1.250 1.00 60.22 H new ATOM 0 HD21 LEU A 12 12.066 -13.829 -0.248 1.00 73.42 H new ATOM 0 HD22 LEU A 12 11.016 -15.262 -0.140 1.00 73.42 H new ATOM 0 HD23 LEU A 12 11.526 -14.650 -1.731 1.00 73.42 H new ATOM 201 N GLU A 13 7.675 -12.343 -3.786 1.00 73.32 N ATOM 202 CA GLU A 13 7.863 -11.237 -4.741 1.00 51.21 C ATOM 203 C GLU A 13 6.744 -10.197 -4.614 1.00 42.41 C ATOM 204 O GLU A 13 6.965 -9.004 -4.830 1.00 41.40 O ATOM 205 CB GLU A 13 7.943 -11.752 -6.188 1.00 44.13 C ATOM 206 CG GLU A 13 9.271 -12.418 -6.548 1.00 73.22 C ATOM 207 CD GLU A 13 9.568 -13.656 -5.722 1.00 12.15 C ATOM 208 OE1 GLU A 13 8.918 -14.698 -5.956 1.00 11.14 O ATOM 209 OE2 GLU A 13 10.461 -13.601 -4.846 1.00 24.00 O ATOM 0 H GLU A 13 7.468 -13.244 -4.217 1.00 73.32 H new ATOM 0 HA GLU A 13 8.811 -10.758 -4.494 1.00 51.21 H new ATOM 0 HB2 GLU A 13 7.136 -12.466 -6.352 1.00 44.13 H new ATOM 0 HB3 GLU A 13 7.773 -10.917 -6.868 1.00 44.13 H new ATOM 0 HG2 GLU A 13 9.259 -12.689 -7.604 1.00 73.22 H new ATOM 0 HG3 GLU A 13 10.078 -11.698 -6.413 1.00 73.22 H new ATOM 216 N ALA A 14 5.544 -10.660 -4.264 1.00 74.13 N ATOM 217 CA ALA A 14 4.419 -9.764 -3.973 1.00 64.02 C ATOM 218 C ALA A 14 4.798 -8.742 -2.892 1.00 70.23 C ATOM 219 O ALA A 14 4.470 -7.559 -2.993 1.00 41.41 O ATOM 220 CB ALA A 14 3.205 -10.577 -3.533 1.00 64.05 C ATOM 0 H ALA A 14 5.323 -11.652 -4.174 1.00 74.13 H new ATOM 0 HA ALA A 14 4.169 -9.217 -4.882 1.00 64.02 H new ATOM 0 HB1 ALA A 14 2.375 -9.904 -3.319 1.00 64.05 H new ATOM 0 HB2 ALA A 14 2.919 -11.264 -4.329 1.00 64.05 H new ATOM 0 HB3 ALA A 14 3.453 -11.144 -2.636 1.00 64.05 H new ATOM 226 N PHE A 15 5.503 -9.218 -1.865 1.00 53.45 N ATOM 227 CA PHE A 15 6.009 -8.359 -0.788 1.00 62.30 C ATOM 228 C PHE A 15 6.937 -7.261 -1.332 1.00 45.41 C ATOM 229 O PHE A 15 6.696 -6.071 -1.127 1.00 42.15 O ATOM 230 CB PHE A 15 6.749 -9.220 0.253 1.00 63.54 C ATOM 231 CG PHE A 15 7.546 -8.432 1.269 1.00 33.13 C ATOM 232 CD1 PHE A 15 6.919 -7.819 2.343 1.00 1.52 C ATOM 233 CD2 PHE A 15 8.925 -8.312 1.148 1.00 14.14 C ATOM 234 CE1 PHE A 15 7.649 -7.098 3.269 1.00 24.00 C ATOM 235 CE2 PHE A 15 9.658 -7.591 2.071 1.00 24.22 C ATOM 236 CZ PHE A 15 9.019 -6.985 3.134 1.00 20.14 C ATOM 0 H PHE A 15 5.740 -10.204 -1.754 1.00 53.45 H new ATOM 0 HA PHE A 15 5.160 -7.865 -0.315 1.00 62.30 H new ATOM 0 HB2 PHE A 15 6.020 -9.836 0.780 1.00 63.54 H new ATOM 0 HB3 PHE A 15 7.422 -9.900 -0.269 1.00 63.54 H new ATOM 0 HD1 PHE A 15 5.849 -7.906 2.457 1.00 1.52 H new ATOM 0 HD2 PHE A 15 9.431 -8.789 0.321 1.00 14.14 H new ATOM 0 HE1 PHE A 15 7.148 -6.622 4.099 1.00 24.00 H new ATOM 0 HE2 PHE A 15 10.729 -7.502 1.961 1.00 24.22 H new ATOM 0 HZ PHE A 15 9.589 -6.423 3.859 1.00 20.14 H new ATOM 246 N GLU A 16 7.992 -7.670 -2.034 1.00 23.24 N ATOM 247 CA GLU A 16 8.993 -6.727 -2.550 1.00 51.32 C ATOM 248 C GLU A 16 8.392 -5.743 -3.568 1.00 64.24 C ATOM 249 O GLU A 16 8.543 -4.531 -3.433 1.00 41.20 O ATOM 250 CB GLU A 16 10.165 -7.488 -3.192 1.00 2.33 C ATOM 251 CG GLU A 16 11.298 -6.581 -3.674 1.00 22.23 C ATOM 252 CD GLU A 16 12.443 -7.348 -4.321 1.00 14.52 C ATOM 253 OE1 GLU A 16 13.332 -7.831 -3.591 1.00 21.45 O ATOM 254 OE2 GLU A 16 12.468 -7.460 -5.564 1.00 71.41 O ATOM 0 H GLU A 16 8.179 -8.647 -2.261 1.00 23.24 H new ATOM 0 HA GLU A 16 9.355 -6.147 -1.701 1.00 51.32 H new ATOM 0 HB2 GLU A 16 10.564 -8.199 -2.469 1.00 2.33 H new ATOM 0 HB3 GLU A 16 9.791 -8.067 -4.036 1.00 2.33 H new ATOM 0 HG2 GLU A 16 10.900 -5.862 -4.390 1.00 22.23 H new ATOM 0 HG3 GLU A 16 11.683 -6.010 -2.829 1.00 22.23 H new ATOM 261 N LYS A 17 7.711 -6.271 -4.583 1.00 60.31 N ATOM 262 CA LYS A 17 7.161 -5.444 -5.668 1.00 11.31 C ATOM 263 C LYS A 17 6.113 -4.436 -5.174 1.00 34.53 C ATOM 264 O LYS A 17 6.242 -3.234 -5.419 1.00 74.53 O ATOM 265 CB LYS A 17 6.553 -6.333 -6.762 1.00 71.41 C ATOM 266 CG LYS A 17 7.585 -6.957 -7.696 1.00 51.03 C ATOM 267 CD LYS A 17 8.279 -5.896 -8.548 1.00 12.51 C ATOM 268 CE LYS A 17 9.304 -6.505 -9.496 1.00 61.23 C ATOM 269 NZ LYS A 17 9.921 -5.479 -10.381 1.00 55.20 N ATOM 0 H LYS A 17 7.524 -7.269 -4.681 1.00 60.31 H new ATOM 0 HA LYS A 17 7.993 -4.871 -6.077 1.00 11.31 H new ATOM 0 HB2 LYS A 17 5.976 -7.129 -6.291 1.00 71.41 H new ATOM 0 HB3 LYS A 17 5.855 -5.740 -7.352 1.00 71.41 H new ATOM 0 HG2 LYS A 17 8.328 -7.498 -7.110 1.00 51.03 H new ATOM 0 HG3 LYS A 17 7.098 -7.685 -8.345 1.00 51.03 H new ATOM 0 HD2 LYS A 17 7.533 -5.349 -9.124 1.00 12.51 H new ATOM 0 HD3 LYS A 17 8.772 -5.174 -7.897 1.00 12.51 H new ATOM 0 HE2 LYS A 17 10.083 -7.001 -8.918 1.00 61.23 H new ATOM 0 HE3 LYS A 17 8.824 -7.270 -10.107 1.00 61.23 H new ATOM 0 HZ1 LYS A 17 10.612 -5.934 -11.011 1.00 55.20 H new ATOM 0 HZ2 LYS A 17 9.181 -5.023 -10.952 1.00 55.20 H new ATOM 0 HZ3 LYS A 17 10.401 -4.763 -9.800 1.00 55.20 H new ATOM 283 N ALA A 18 5.081 -4.918 -4.480 1.00 52.34 N ATOM 284 CA ALA A 18 4.007 -4.039 -4.000 1.00 75.23 C ATOM 285 C ALA A 18 4.552 -2.926 -3.091 1.00 2.52 C ATOM 286 O ALA A 18 4.168 -1.761 -3.216 1.00 4.41 O ATOM 287 CB ALA A 18 2.943 -4.850 -3.270 1.00 42.22 C ATOM 0 H ALA A 18 4.964 -5.902 -4.238 1.00 52.34 H new ATOM 0 HA ALA A 18 3.553 -3.564 -4.870 1.00 75.23 H new ATOM 0 HB1 ALA A 18 2.154 -4.184 -2.920 1.00 42.22 H new ATOM 0 HB2 ALA A 18 2.519 -5.589 -3.950 1.00 42.22 H new ATOM 0 HB3 ALA A 18 3.394 -5.357 -2.417 1.00 42.22 H new ATOM 293 N LEU A 19 5.452 -3.293 -2.186 1.00 72.50 N ATOM 294 CA LEU A 19 6.089 -2.325 -1.288 1.00 72.53 C ATOM 295 C LEU A 19 6.998 -1.352 -2.066 1.00 12.10 C ATOM 296 O LEU A 19 6.994 -0.144 -1.818 1.00 13.21 O ATOM 297 CB LEU A 19 6.903 -3.076 -0.225 1.00 62.02 C ATOM 298 CG LEU A 19 7.578 -2.202 0.845 1.00 20.13 C ATOM 299 CD1 LEU A 19 6.535 -1.436 1.658 1.00 51.13 C ATOM 300 CD2 LEU A 19 8.457 -3.059 1.758 1.00 61.23 C ATOM 0 H LEU A 19 5.761 -4.256 -2.051 1.00 72.50 H new ATOM 0 HA LEU A 19 5.310 -1.735 -0.805 1.00 72.53 H new ATOM 0 HB2 LEU A 19 6.244 -3.785 0.276 1.00 62.02 H new ATOM 0 HB3 LEU A 19 7.674 -3.659 -0.730 1.00 62.02 H new ATOM 0 HG LEU A 19 8.213 -1.473 0.342 1.00 20.13 H new ATOM 0 HD11 LEU A 19 7.036 -0.825 2.409 1.00 51.13 H new ATOM 0 HD12 LEU A 19 5.956 -0.794 0.994 1.00 51.13 H new ATOM 0 HD13 LEU A 19 5.868 -2.143 2.152 1.00 51.13 H new ATOM 0 HD21 LEU A 19 8.927 -2.425 2.510 1.00 61.23 H new ATOM 0 HD22 LEU A 19 7.843 -3.813 2.251 1.00 61.23 H new ATOM 0 HD23 LEU A 19 9.228 -3.551 1.164 1.00 61.23 H new ATOM 312 N LYS A 20 7.761 -1.893 -3.016 1.00 13.01 N ATOM 313 CA LYS A 20 8.719 -1.107 -3.806 1.00 12.30 C ATOM 314 C LYS A 20 8.032 0.027 -4.580 1.00 53.33 C ATOM 315 O LYS A 20 8.431 1.189 -4.478 1.00 12.23 O ATOM 316 CB LYS A 20 9.465 -2.031 -4.785 1.00 12.10 C ATOM 317 CG LYS A 20 10.539 -1.340 -5.626 1.00 53.14 C ATOM 318 CD LYS A 20 11.664 -0.772 -4.765 1.00 45.22 C ATOM 319 CE LYS A 20 12.795 -0.206 -5.617 1.00 25.04 C ATOM 320 NZ LYS A 20 13.454 -1.255 -6.437 1.00 23.20 N ATOM 0 H LYS A 20 7.736 -2.883 -3.261 1.00 13.01 H new ATOM 0 HA LYS A 20 9.426 -0.651 -3.113 1.00 12.30 H new ATOM 0 HB2 LYS A 20 9.930 -2.838 -4.218 1.00 12.10 H new ATOM 0 HB3 LYS A 20 8.738 -2.490 -5.455 1.00 12.10 H new ATOM 0 HG2 LYS A 20 10.953 -2.052 -6.340 1.00 53.14 H new ATOM 0 HG3 LYS A 20 10.084 -0.536 -6.205 1.00 53.14 H new ATOM 0 HD2 LYS A 20 11.268 0.011 -4.119 1.00 45.22 H new ATOM 0 HD3 LYS A 20 12.055 -1.554 -4.114 1.00 45.22 H new ATOM 0 HE2 LYS A 20 12.401 0.572 -6.272 1.00 25.04 H new ATOM 0 HE3 LYS A 20 13.534 0.266 -4.970 1.00 25.04 H new ATOM 0 HZ1 LYS A 20 14.360 -0.894 -6.799 1.00 23.20 H new ATOM 0 HZ2 LYS A 20 13.626 -2.097 -5.851 1.00 23.20 H new ATOM 0 HZ3 LYS A 20 12.838 -1.509 -7.236 1.00 23.20 H new ATOM 334 N GLU A 21 6.998 -0.314 -5.347 1.00 73.02 N ATOM 335 CA GLU A 21 6.309 0.662 -6.201 1.00 71.13 C ATOM 336 C GLU A 21 5.687 1.810 -5.387 1.00 2.24 C ATOM 337 O GLU A 21 5.896 2.989 -5.696 1.00 74.21 O ATOM 338 CB GLU A 21 5.226 -0.031 -7.044 1.00 71.43 C ATOM 339 CG GLU A 21 5.751 -1.168 -7.919 1.00 72.12 C ATOM 340 CD GLU A 21 6.891 -0.740 -8.836 1.00 21.13 C ATOM 341 OE1 GLU A 21 6.618 -0.132 -9.894 1.00 73.22 O ATOM 342 OE2 GLU A 21 8.063 -1.027 -8.514 1.00 53.11 O ATOM 0 H GLU A 21 6.616 -1.258 -5.397 1.00 73.02 H new ATOM 0 HA GLU A 21 7.060 1.096 -6.861 1.00 71.13 H new ATOM 0 HB2 GLU A 21 4.458 -0.424 -6.378 1.00 71.43 H new ATOM 0 HB3 GLU A 21 4.746 0.712 -7.681 1.00 71.43 H new ATOM 0 HG2 GLU A 21 6.093 -1.982 -7.280 1.00 72.12 H new ATOM 0 HG3 GLU A 21 4.934 -1.560 -8.524 1.00 72.12 H new ATOM 349 N MET A 22 4.938 1.469 -4.337 1.00 4.23 N ATOM 350 CA MET A 22 4.261 2.487 -3.522 1.00 21.31 C ATOM 351 C MET A 22 5.267 3.426 -2.831 1.00 40.44 C ATOM 352 O MET A 22 5.051 4.638 -2.763 1.00 44.02 O ATOM 353 CB MET A 22 3.341 1.839 -2.482 1.00 21.24 C ATOM 354 CG MET A 22 2.300 0.907 -3.090 1.00 32.32 C ATOM 355 SD MET A 22 0.936 0.546 -1.966 1.00 13.42 S ATOM 356 CE MET A 22 0.081 2.122 -1.971 1.00 23.34 C ATOM 0 H MET A 22 4.784 0.508 -4.031 1.00 4.23 H new ATOM 0 HA MET A 22 3.653 3.086 -4.200 1.00 21.31 H new ATOM 0 HB2 MET A 22 3.948 1.279 -1.770 1.00 21.24 H new ATOM 0 HB3 MET A 22 2.832 2.622 -1.920 1.00 21.24 H new ATOM 0 HG2 MET A 22 1.904 1.358 -4.000 1.00 32.32 H new ATOM 0 HG3 MET A 22 2.782 -0.027 -3.380 1.00 32.32 H new ATOM 0 HE1 MET A 22 0.176 2.591 -0.991 1.00 23.34 H new ATOM 0 HE2 MET A 22 0.520 2.772 -2.728 1.00 23.34 H new ATOM 0 HE3 MET A 22 -0.974 1.963 -2.197 1.00 23.34 H new ATOM 366 N ILE A 23 6.368 2.867 -2.321 1.00 55.43 N ATOM 367 CA ILE A 23 7.447 3.684 -1.750 1.00 1.52 C ATOM 368 C ILE A 23 8.090 4.567 -2.834 1.00 13.34 C ATOM 369 O ILE A 23 8.368 5.745 -2.609 1.00 11.51 O ATOM 370 CB ILE A 23 8.544 2.809 -1.082 1.00 14.15 C ATOM 371 CG1 ILE A 23 7.970 2.054 0.130 1.00 60.24 C ATOM 372 CG2 ILE A 23 9.745 3.663 -0.668 1.00 62.42 C ATOM 373 CD1 ILE A 23 8.994 1.224 0.880 1.00 4.13 C ATOM 0 H ILE A 23 6.537 1.862 -2.291 1.00 55.43 H new ATOM 0 HA ILE A 23 6.997 4.315 -0.983 1.00 1.52 H new ATOM 0 HB ILE A 23 8.886 2.076 -1.813 1.00 14.15 H new ATOM 0 HG12 ILE A 23 7.527 2.774 0.818 1.00 60.24 H new ATOM 0 HG13 ILE A 23 7.166 1.401 -0.209 1.00 60.24 H new ATOM 0 HG21 ILE A 23 10.499 3.029 -0.203 1.00 62.42 H new ATOM 0 HG22 ILE A 23 10.169 4.145 -1.549 1.00 62.42 H new ATOM 0 HG23 ILE A 23 9.423 4.424 0.043 1.00 62.42 H new ATOM 0 HD11 ILE A 23 8.512 0.723 1.720 1.00 4.13 H new ATOM 0 HD12 ILE A 23 9.420 0.478 0.209 1.00 4.13 H new ATOM 0 HD13 ILE A 23 9.787 1.873 1.251 1.00 4.13 H new ATOM 385 N ARG A 24 8.301 3.985 -4.014 1.00 51.32 N ATOM 386 CA ARG A 24 8.896 4.701 -5.151 1.00 2.35 C ATOM 387 C ARG A 24 8.087 5.965 -5.496 1.00 14.35 C ATOM 388 O ARG A 24 8.652 7.042 -5.695 1.00 34.44 O ATOM 389 CB ARG A 24 8.989 3.747 -6.361 1.00 41.42 C ATOM 390 CG ARG A 24 9.764 4.288 -7.565 1.00 42.24 C ATOM 391 CD ARG A 24 8.865 5.027 -8.556 1.00 25.51 C ATOM 392 NE ARG A 24 9.591 5.414 -9.763 1.00 14.23 N ATOM 393 CZ ARG A 24 9.558 4.752 -10.891 1.00 72.34 C ATOM 394 NH1 ARG A 24 8.840 3.680 -11.009 1.00 10.25 N ATOM 395 NH2 ARG A 24 10.251 5.171 -11.901 1.00 53.05 N ATOM 0 H ARG A 24 8.068 3.012 -4.212 1.00 51.32 H new ATOM 0 HA ARG A 24 9.900 5.029 -4.881 1.00 2.35 H new ATOM 0 HB2 ARG A 24 9.459 2.819 -6.035 1.00 41.42 H new ATOM 0 HB3 ARG A 24 7.978 3.497 -6.683 1.00 41.42 H new ATOM 0 HG2 ARG A 24 10.546 4.962 -7.216 1.00 42.24 H new ATOM 0 HG3 ARG A 24 10.259 3.462 -8.075 1.00 42.24 H new ATOM 0 HD2 ARG A 24 8.023 4.391 -8.827 1.00 25.51 H new ATOM 0 HD3 ARG A 24 8.452 5.916 -8.079 1.00 25.51 H new ATOM 0 HE ARG A 24 10.163 6.258 -9.724 1.00 14.23 H new ATOM 0 HH11 ARG A 24 8.292 3.343 -10.217 1.00 10.25 H new ATOM 0 HH12 ARG A 24 8.823 3.173 -11.894 1.00 10.25 H new ATOM 0 HH21 ARG A 24 10.819 6.014 -11.815 1.00 53.05 H new ATOM 0 HH22 ARG A 24 10.229 4.658 -12.783 1.00 53.05 H new ATOM 409 N GLN A 25 6.761 5.829 -5.567 1.00 23.55 N ATOM 410 CA GLN A 25 5.887 6.981 -5.830 1.00 54.43 C ATOM 411 C GLN A 25 5.752 7.903 -4.606 1.00 1.41 C ATOM 412 O GLN A 25 5.670 9.119 -4.748 1.00 63.22 O ATOM 413 CB GLN A 25 4.498 6.534 -6.307 1.00 1.11 C ATOM 414 CG GLN A 25 4.517 5.833 -7.661 1.00 64.32 C ATOM 415 CD GLN A 25 3.186 5.928 -8.391 1.00 33.24 C ATOM 416 OE1 GLN A 25 2.312 4.970 -8.176 1.00 2.15 O flip ATOM 417 NE2 GLN A 25 2.948 6.866 -9.150 1.00 71.40 N flip ATOM 0 H GLN A 25 6.270 4.943 -5.448 1.00 23.55 H new ATOM 0 HA GLN A 25 6.364 7.552 -6.627 1.00 54.43 H new ATOM 0 HB2 GLN A 25 4.066 5.862 -5.565 1.00 1.11 H new ATOM 0 HB3 GLN A 25 3.845 7.405 -6.367 1.00 1.11 H new ATOM 0 HG2 GLN A 25 5.299 6.271 -8.281 1.00 64.32 H new ATOM 0 HG3 GLN A 25 4.774 4.783 -7.518 1.00 64.32 H new ATOM 0 HE21 GLN A 25 3.647 7.594 -9.296 1.00 71.40 H new ATOM 0 HE22 GLN A 25 2.051 6.916 -9.634 1.00 71.40 H new ATOM 426 N ALA A 26 5.727 7.333 -3.408 1.00 4.02 N ATOM 427 CA ALA A 26 5.627 8.138 -2.187 1.00 20.23 C ATOM 428 C ALA A 26 6.822 9.098 -2.041 1.00 52.02 C ATOM 429 O ALA A 26 6.647 10.288 -1.784 1.00 33.31 O ATOM 430 CB ALA A 26 5.518 7.235 -0.965 1.00 73.31 C ATOM 0 H ALA A 26 5.774 6.326 -3.251 1.00 4.02 H new ATOM 0 HA ALA A 26 4.724 8.744 -2.262 1.00 20.23 H new ATOM 0 HB1 ALA A 26 5.444 7.847 -0.066 1.00 73.31 H new ATOM 0 HB2 ALA A 26 4.629 6.610 -1.052 1.00 73.31 H new ATOM 0 HB3 ALA A 26 6.402 6.601 -0.901 1.00 73.31 H new ATOM 436 N ARG A 27 8.031 8.576 -2.241 1.00 2.52 N ATOM 437 CA ARG A 27 9.259 9.364 -2.071 1.00 52.21 C ATOM 438 C ARG A 27 9.313 10.592 -3.002 1.00 43.42 C ATOM 439 O ARG A 27 9.751 11.666 -2.587 1.00 23.13 O ATOM 440 CB ARG A 27 10.487 8.475 -2.297 1.00 54.24 C ATOM 441 CG ARG A 27 10.671 7.408 -1.222 1.00 14.22 C ATOM 442 CD ARG A 27 11.911 6.553 -1.469 1.00 11.12 C ATOM 443 NE ARG A 27 13.137 7.351 -1.542 1.00 72.44 N ATOM 444 CZ ARG A 27 14.169 7.198 -0.753 1.00 72.45 C ATOM 445 NH1 ARG A 27 14.141 6.334 0.212 1.00 53.44 N ATOM 446 NH2 ARG A 27 15.223 7.930 -0.927 1.00 60.10 N ATOM 0 H ARG A 27 8.191 7.608 -2.522 1.00 2.52 H new ATOM 0 HA ARG A 27 9.259 9.741 -1.048 1.00 52.21 H new ATOM 0 HB2 ARG A 27 10.400 7.989 -3.269 1.00 54.24 H new ATOM 0 HB3 ARG A 27 11.378 9.102 -2.332 1.00 54.24 H new ATOM 0 HG2 ARG A 27 10.750 7.887 -0.246 1.00 14.22 H new ATOM 0 HG3 ARG A 27 9.789 6.768 -1.193 1.00 14.22 H new ATOM 0 HD2 ARG A 27 12.007 5.818 -0.670 1.00 11.12 H new ATOM 0 HD3 ARG A 27 11.787 5.998 -2.399 1.00 11.12 H new ATOM 0 HE ARG A 27 13.190 8.076 -2.257 1.00 72.44 H new ATOM 0 HH11 ARG A 27 13.308 5.765 0.363 1.00 53.44 H new ATOM 0 HH12 ARG A 27 14.952 6.223 0.821 1.00 53.44 H new ATOM 0 HH21 ARG A 27 15.246 8.622 -1.676 1.00 60.10 H new ATOM 0 HH22 ARG A 27 16.031 7.815 -0.315 1.00 60.10 H new ATOM 460 N LYS A 28 8.860 10.444 -4.249 1.00 54.22 N ATOM 461 CA LYS A 28 8.863 11.569 -5.207 1.00 50.43 C ATOM 462 C LYS A 28 7.832 12.648 -4.811 1.00 75.13 C ATOM 463 O LYS A 28 7.865 13.771 -5.314 1.00 20.24 O ATOM 464 CB LYS A 28 8.608 11.059 -6.640 1.00 72.30 C ATOM 465 CG LYS A 28 7.246 10.407 -6.837 1.00 51.31 C ATOM 466 CD LYS A 28 7.134 9.680 -8.177 1.00 11.33 C ATOM 467 CE LYS A 28 7.265 10.620 -9.369 1.00 60.20 C ATOM 468 NZ LYS A 28 7.150 9.885 -10.659 1.00 31.02 N ATOM 0 H LYS A 28 8.489 9.570 -4.623 1.00 54.22 H new ATOM 0 HA LYS A 28 9.849 12.033 -5.178 1.00 50.43 H new ATOM 0 HB2 LYS A 28 8.702 11.895 -7.333 1.00 72.30 H new ATOM 0 HB3 LYS A 28 9.384 10.339 -6.901 1.00 72.30 H new ATOM 0 HG2 LYS A 28 7.065 9.700 -6.027 1.00 51.31 H new ATOM 0 HG3 LYS A 28 6.469 11.169 -6.775 1.00 51.31 H new ATOM 0 HD2 LYS A 28 7.908 8.915 -8.236 1.00 11.33 H new ATOM 0 HD3 LYS A 28 6.174 9.167 -8.228 1.00 11.33 H new ATOM 0 HE2 LYS A 28 6.492 11.387 -9.316 1.00 60.20 H new ATOM 0 HE3 LYS A 28 8.226 11.133 -9.326 1.00 60.20 H new ATOM 0 HZ1 LYS A 28 7.244 10.554 -11.449 1.00 31.02 H new ATOM 0 HZ2 LYS A 28 7.903 9.170 -10.720 1.00 31.02 H new ATOM 0 HZ3 LYS A 28 6.223 9.416 -10.710 1.00 31.02 H new ATOM 482 N PHE A 29 6.924 12.296 -3.898 1.00 70.42 N ATOM 483 CA PHE A 29 5.967 13.261 -3.335 1.00 10.35 C ATOM 484 C PHE A 29 6.311 13.594 -1.870 1.00 71.41 C ATOM 485 O PHE A 29 5.492 14.166 -1.147 1.00 10.25 O ATOM 486 CB PHE A 29 4.531 12.725 -3.435 1.00 73.00 C ATOM 487 CG PHE A 29 4.046 12.554 -4.857 1.00 22.43 C ATOM 488 CD1 PHE A 29 3.840 13.661 -5.673 1.00 52.33 C ATOM 489 CD2 PHE A 29 3.794 11.292 -5.375 1.00 12.32 C ATOM 490 CE1 PHE A 29 3.397 13.507 -6.974 1.00 5.54 C ATOM 491 CE2 PHE A 29 3.351 11.135 -6.674 1.00 12.44 C ATOM 492 CZ PHE A 29 3.151 12.244 -7.474 1.00 12.13 C ATOM 0 H PHE A 29 6.828 11.349 -3.530 1.00 70.42 H new ATOM 0 HA PHE A 29 6.038 14.178 -3.920 1.00 10.35 H new ATOM 0 HB2 PHE A 29 4.474 11.765 -2.923 1.00 73.00 H new ATOM 0 HB3 PHE A 29 3.861 13.406 -2.911 1.00 73.00 H new ATOM 0 HD1 PHE A 29 4.028 14.652 -5.287 1.00 52.33 H new ATOM 0 HD2 PHE A 29 3.946 10.421 -4.755 1.00 12.32 H new ATOM 0 HE1 PHE A 29 3.244 14.375 -7.599 1.00 5.54 H new ATOM 0 HE2 PHE A 29 3.161 10.146 -7.064 1.00 12.44 H new ATOM 0 HZ PHE A 29 2.803 12.123 -8.489 1.00 12.13 H new ATOM 502 N ALA A 30 7.533 13.241 -1.454 1.00 71.33 N ATOM 503 CA ALA A 30 8.028 13.508 -0.089 1.00 65.31 C ATOM 504 C ALA A 30 7.253 12.718 0.986 1.00 74.54 C ATOM 505 O ALA A 30 7.337 13.024 2.179 1.00 72.41 O ATOM 506 CB ALA A 30 7.994 15.008 0.212 1.00 25.22 C ATOM 0 H ALA A 30 8.209 12.763 -2.049 1.00 71.33 H new ATOM 0 HA ALA A 30 9.061 13.163 -0.052 1.00 65.31 H new ATOM 0 HB1 ALA A 30 8.362 15.185 1.222 1.00 25.22 H new ATOM 0 HB2 ALA A 30 8.625 15.537 -0.502 1.00 25.22 H new ATOM 0 HB3 ALA A 30 6.970 15.372 0.130 1.00 25.22 H new ATOM 512 N GLY A 31 6.525 11.687 0.564 1.00 3.25 N ATOM 513 CA GLY A 31 5.747 10.872 1.494 1.00 51.22 C ATOM 514 C GLY A 31 6.588 9.858 2.270 1.00 24.44 C ATOM 515 O GLY A 31 7.409 9.147 1.693 1.00 52.13 O ATOM 0 H GLY A 31 6.457 11.397 -0.412 1.00 3.25 H new ATOM 0 HA2 GLY A 31 5.239 11.528 2.201 1.00 51.22 H new ATOM 0 HA3 GLY A 31 4.973 10.341 0.939 1.00 51.22 H new ATOM 519 N THR A 32 6.377 9.788 3.584 1.00 0.02 N ATOM 520 CA THR A 32 7.094 8.831 4.442 1.00 13.34 C ATOM 521 C THR A 32 6.321 7.511 4.564 1.00 64.32 C ATOM 522 O THR A 32 5.168 7.495 4.995 1.00 5.03 O ATOM 523 CB THR A 32 7.325 9.407 5.862 1.00 51.31 C ATOM 524 OG1 THR A 32 8.127 10.597 5.788 1.00 75.54 O ATOM 525 CG2 THR A 32 8.009 8.390 6.775 1.00 21.13 C ATOM 0 H THR A 32 5.715 10.382 4.083 1.00 0.02 H new ATOM 0 HA THR A 32 8.058 8.646 3.969 1.00 13.34 H new ATOM 0 HB THR A 32 6.349 9.645 6.284 1.00 51.31 H new ATOM 0 HG1 THR A 32 8.266 10.954 6.690 1.00 75.54 H new ATOM 0 HG21 THR A 32 8.155 8.828 7.762 1.00 21.13 H new ATOM 0 HG22 THR A 32 7.385 7.501 6.861 1.00 21.13 H new ATOM 0 HG23 THR A 32 8.976 8.115 6.353 1.00 21.13 H new ATOM 533 N VAL A 33 6.956 6.403 4.190 1.00 60.34 N ATOM 534 CA VAL A 33 6.306 5.086 4.247 1.00 2.11 C ATOM 535 C VAL A 33 6.890 4.207 5.365 1.00 33.23 C ATOM 536 O VAL A 33 8.108 4.053 5.480 1.00 32.43 O ATOM 537 CB VAL A 33 6.443 4.333 2.899 1.00 70.22 C ATOM 538 CG1 VAL A 33 5.712 2.987 2.945 1.00 64.44 C ATOM 539 CG2 VAL A 33 5.926 5.195 1.748 1.00 33.23 C ATOM 0 H VAL A 33 7.916 6.385 3.845 1.00 60.34 H new ATOM 0 HA VAL A 33 5.253 5.273 4.457 1.00 2.11 H new ATOM 0 HB VAL A 33 7.501 4.132 2.728 1.00 70.22 H new ATOM 0 HG11 VAL A 33 5.824 2.479 1.987 1.00 64.44 H new ATOM 0 HG12 VAL A 33 6.138 2.369 3.735 1.00 64.44 H new ATOM 0 HG13 VAL A 33 4.654 3.154 3.146 1.00 64.44 H new ATOM 0 HG21 VAL A 33 6.030 4.650 0.810 1.00 33.23 H new ATOM 0 HG22 VAL A 33 4.875 5.433 1.915 1.00 33.23 H new ATOM 0 HG23 VAL A 33 6.503 6.118 1.697 1.00 33.23 H new ATOM 549 N THR A 34 6.016 3.632 6.186 1.00 51.54 N ATOM 550 CA THR A 34 6.432 2.670 7.219 1.00 2.05 C ATOM 551 C THR A 34 5.671 1.347 7.069 1.00 52.03 C ATOM 552 O THR A 34 4.449 1.338 6.900 1.00 42.21 O ATOM 553 CB THR A 34 6.220 3.223 8.653 1.00 74.42 C ATOM 554 OG1 THR A 34 6.602 2.237 9.627 1.00 50.11 O ATOM 555 CG2 THR A 34 4.769 3.638 8.884 1.00 64.20 C ATOM 0 H THR A 34 5.012 3.812 6.161 1.00 51.54 H new ATOM 0 HA THR A 34 7.499 2.498 7.074 1.00 2.05 H new ATOM 0 HB THR A 34 6.849 4.107 8.763 1.00 74.42 H new ATOM 0 HG1 THR A 34 6.466 2.597 10.528 1.00 50.11 H new ATOM 0 HG21 THR A 34 4.657 4.020 9.899 1.00 64.20 H new ATOM 0 HG22 THR A 34 4.495 4.415 8.171 1.00 64.20 H new ATOM 0 HG23 THR A 34 4.118 2.775 8.748 1.00 64.20 H new ATOM 563 N TYR A 35 6.392 0.229 7.116 1.00 24.42 N ATOM 564 CA TYR A 35 5.777 -1.092 6.920 1.00 65.22 C ATOM 565 C TYR A 35 6.132 -2.077 8.049 1.00 44.30 C ATOM 566 O TYR A 35 7.232 -2.040 8.605 1.00 73.21 O ATOM 567 CB TYR A 35 6.188 -1.672 5.556 1.00 43.34 C ATOM 568 CG TYR A 35 7.688 -1.848 5.377 1.00 1.02 C ATOM 569 CD1 TYR A 35 8.493 -0.786 4.970 1.00 10.10 C ATOM 570 CD2 TYR A 35 8.300 -3.077 5.613 1.00 71.45 C ATOM 571 CE1 TYR A 35 9.857 -0.943 4.808 1.00 32.14 C ATOM 572 CE2 TYR A 35 9.664 -3.241 5.453 1.00 40.45 C ATOM 573 CZ TYR A 35 10.437 -2.171 5.049 1.00 70.43 C ATOM 574 OH TYR A 35 11.797 -2.330 4.886 1.00 44.52 O ATOM 0 H TYR A 35 7.397 0.206 7.287 1.00 24.42 H new ATOM 0 HA TYR A 35 4.696 -0.952 6.944 1.00 65.22 H new ATOM 0 HB2 TYR A 35 5.702 -2.639 5.424 1.00 43.34 H new ATOM 0 HB3 TYR A 35 5.814 -1.018 4.769 1.00 43.34 H new ATOM 0 HD1 TYR A 35 8.043 0.177 4.778 1.00 10.10 H new ATOM 0 HD2 TYR A 35 7.698 -3.917 5.927 1.00 71.45 H new ATOM 0 HE1 TYR A 35 10.466 -0.108 4.494 1.00 32.14 H new ATOM 0 HE2 TYR A 35 10.122 -4.201 5.643 1.00 40.45 H new ATOM 0 HH TYR A 35 12.046 -3.254 5.097 1.00 44.52 H new ATOM 584 N THR A 36 5.176 -2.939 8.393 1.00 43.04 N ATOM 585 CA THR A 36 5.367 -3.971 9.422 1.00 34.31 C ATOM 586 C THR A 36 4.754 -5.310 8.984 1.00 21.43 C ATOM 587 O THR A 36 3.625 -5.356 8.499 1.00 5.43 O ATOM 588 CB THR A 36 4.732 -3.555 10.776 1.00 72.24 C ATOM 589 OG1 THR A 36 3.359 -3.187 10.586 1.00 11.44 O ATOM 590 CG2 THR A 36 5.477 -2.385 11.410 1.00 72.10 C ATOM 0 H THR A 36 4.248 -2.945 7.970 1.00 43.04 H new ATOM 0 HA THR A 36 6.443 -4.084 9.552 1.00 34.31 H new ATOM 0 HB THR A 36 4.800 -4.413 11.445 1.00 72.24 H new ATOM 0 HG1 THR A 36 2.781 -3.833 11.043 1.00 11.44 H new ATOM 0 HG21 THR A 36 5.004 -2.122 12.356 1.00 72.10 H new ATOM 0 HG22 THR A 36 6.514 -2.668 11.590 1.00 72.10 H new ATOM 0 HG23 THR A 36 5.446 -1.527 10.738 1.00 72.10 H new ATOM 598 N LEU A 37 5.503 -6.400 9.147 1.00 41.50 N ATOM 599 CA LEU A 37 4.995 -7.741 8.813 1.00 24.52 C ATOM 600 C LEU A 37 4.145 -8.318 9.958 1.00 11.12 C ATOM 601 O LEU A 37 4.652 -8.573 11.053 1.00 44.41 O ATOM 602 CB LEU A 37 6.157 -8.704 8.490 1.00 11.24 C ATOM 603 CG LEU A 37 6.801 -8.547 7.098 1.00 53.44 C ATOM 604 CD1 LEU A 37 5.762 -8.743 5.997 1.00 61.13 C ATOM 605 CD2 LEU A 37 7.500 -7.194 6.959 1.00 72.20 C ATOM 0 H LEU A 37 6.458 -6.387 9.505 1.00 41.50 H new ATOM 0 HA LEU A 37 4.363 -7.639 7.931 1.00 24.52 H new ATOM 0 HB2 LEU A 37 6.933 -8.571 9.244 1.00 11.24 H new ATOM 0 HB3 LEU A 37 5.792 -9.727 8.586 1.00 11.24 H new ATOM 0 HG LEU A 37 7.560 -9.322 6.991 1.00 53.44 H new ATOM 0 HD11 LEU A 37 6.238 -8.628 5.023 1.00 61.13 H new ATOM 0 HD12 LEU A 37 5.333 -9.742 6.075 1.00 61.13 H new ATOM 0 HD13 LEU A 37 4.972 -7.999 6.105 1.00 61.13 H new ATOM 0 HD21 LEU A 37 7.944 -7.114 5.967 1.00 72.20 H new ATOM 0 HD22 LEU A 37 6.773 -6.393 7.097 1.00 72.20 H new ATOM 0 HD23 LEU A 37 8.282 -7.109 7.714 1.00 72.20 H new ATOM 617 N ASP A 38 2.853 -8.528 9.702 1.00 10.35 N ATOM 618 CA ASP A 38 1.950 -9.091 10.711 1.00 65.23 C ATOM 619 C ASP A 38 1.436 -10.483 10.295 1.00 0.30 C ATOM 620 O ASP A 38 0.340 -10.626 9.752 1.00 30.11 O ATOM 621 CB ASP A 38 0.779 -8.128 10.980 1.00 21.44 C ATOM 622 CG ASP A 38 -0.089 -8.552 12.160 1.00 43.04 C ATOM 623 OD1 ASP A 38 0.416 -9.258 13.060 1.00 31.30 O ATOM 624 OD2 ASP A 38 -1.277 -8.159 12.206 1.00 14.44 O ATOM 0 H ASP A 38 2.408 -8.318 8.808 1.00 10.35 H new ATOM 0 HA ASP A 38 2.514 -9.216 11.635 1.00 65.23 H new ATOM 0 HB2 ASP A 38 1.174 -7.130 11.168 1.00 21.44 H new ATOM 0 HB3 ASP A 38 0.159 -8.062 10.086 1.00 21.44 H new ATOM 629 N GLY A 39 2.261 -11.499 10.532 1.00 31.52 N ATOM 630 CA GLY A 39 1.859 -12.883 10.293 1.00 55.31 C ATOM 631 C GLY A 39 1.514 -13.209 8.840 1.00 2.41 C ATOM 632 O GLY A 39 2.361 -13.692 8.081 1.00 53.14 O ATOM 0 H GLY A 39 3.210 -11.391 10.889 1.00 31.52 H new ATOM 0 HA2 GLY A 39 2.665 -13.542 10.617 1.00 55.31 H new ATOM 0 HA3 GLY A 39 0.994 -13.108 10.916 1.00 55.31 H new ATOM 636 N ASN A 40 0.263 -12.943 8.455 1.00 32.44 N ATOM 637 CA ASN A 40 -0.265 -13.359 7.147 1.00 10.23 C ATOM 638 C ASN A 40 -0.266 -12.215 6.124 1.00 14.34 C ATOM 639 O ASN A 40 -0.497 -12.444 4.933 1.00 12.41 O ATOM 640 CB ASN A 40 -1.694 -13.890 7.318 1.00 51.31 C ATOM 641 CG ASN A 40 -1.758 -15.112 8.217 1.00 11.45 C ATOM 642 OD1 ASN A 40 -0.844 -15.932 8.238 1.00 24.04 O ATOM 643 ND2 ASN A 40 -2.826 -15.239 8.976 1.00 12.50 N ATOM 0 H ASN A 40 -0.409 -12.438 9.033 1.00 32.44 H new ATOM 0 HA ASN A 40 0.391 -14.140 6.764 1.00 10.23 H new ATOM 0 HB2 ASN A 40 -2.323 -13.103 7.735 1.00 51.31 H new ATOM 0 HB3 ASN A 40 -2.104 -14.141 6.340 1.00 51.31 H new ATOM 0 HD21 ASN A 40 -2.912 -16.037 9.606 1.00 12.50 H new ATOM 0 HD22 ASN A 40 -3.567 -14.540 8.934 1.00 12.50 H new ATOM 650 N ASP A 41 -0.018 -10.989 6.581 1.00 35.05 N ATOM 651 CA ASP A 41 -0.097 -9.820 5.703 1.00 71.42 C ATOM 652 C ASP A 41 0.923 -8.723 6.065 1.00 3.35 C ATOM 653 O ASP A 41 1.484 -8.701 7.166 1.00 15.12 O ATOM 654 CB ASP A 41 -1.523 -9.257 5.713 1.00 54.20 C ATOM 655 CG ASP A 41 -1.983 -8.840 7.094 1.00 33.43 C ATOM 656 OD1 ASP A 41 -1.662 -7.716 7.509 1.00 43.21 O ATOM 657 OD2 ASP A 41 -2.688 -9.630 7.760 1.00 51.51 O ATOM 0 H ASP A 41 0.237 -10.779 7.546 1.00 35.05 H new ATOM 0 HA ASP A 41 0.159 -10.155 4.698 1.00 71.42 H new ATOM 0 HB2 ASP A 41 -1.574 -8.398 5.044 1.00 54.20 H new ATOM 0 HB3 ASP A 41 -2.207 -10.008 5.319 1.00 54.20 H new ATOM 662 N LEU A 42 1.179 -7.838 5.103 1.00 52.02 N ATOM 663 CA LEU A 42 2.107 -6.711 5.281 1.00 0.11 C ATOM 664 C LEU A 42 1.361 -5.388 5.537 1.00 72.33 C ATOM 665 O LEU A 42 0.626 -4.901 4.672 1.00 40.42 O ATOM 666 CB LEU A 42 2.996 -6.567 4.033 1.00 61.21 C ATOM 667 CG LEU A 42 3.878 -5.302 3.982 1.00 41.31 C ATOM 668 CD1 LEU A 42 4.887 -5.286 5.128 1.00 44.13 C ATOM 669 CD2 LEU A 42 4.584 -5.191 2.633 1.00 42.45 C ATOM 0 H LEU A 42 0.752 -7.878 4.178 1.00 52.02 H new ATOM 0 HA LEU A 42 2.721 -6.924 6.156 1.00 0.11 H new ATOM 0 HB2 LEU A 42 3.643 -7.442 3.968 1.00 61.21 H new ATOM 0 HB3 LEU A 42 2.356 -6.577 3.151 1.00 61.21 H new ATOM 0 HG LEU A 42 3.228 -4.435 4.100 1.00 41.31 H new ATOM 0 HD11 LEU A 42 5.494 -4.383 5.066 1.00 44.13 H new ATOM 0 HD12 LEU A 42 4.357 -5.302 6.080 1.00 44.13 H new ATOM 0 HD13 LEU A 42 5.532 -6.162 5.057 1.00 44.13 H new ATOM 0 HD21 LEU A 42 5.201 -4.292 2.618 1.00 42.45 H new ATOM 0 HD22 LEU A 42 5.215 -6.067 2.479 1.00 42.45 H new ATOM 0 HD23 LEU A 42 3.841 -5.135 1.837 1.00 42.45 H new ATOM 681 N GLU A 43 1.562 -4.810 6.723 1.00 32.22 N ATOM 682 CA GLU A 43 1.000 -3.496 7.057 1.00 41.12 C ATOM 683 C GLU A 43 1.852 -2.368 6.447 1.00 21.34 C ATOM 684 O GLU A 43 3.073 -2.352 6.597 1.00 52.42 O ATOM 685 CB GLU A 43 0.924 -3.308 8.582 1.00 70.20 C ATOM 686 CG GLU A 43 0.124 -4.387 9.311 1.00 31.14 C ATOM 687 CD GLU A 43 0.002 -4.119 10.807 1.00 25.22 C ATOM 688 OE1 GLU A 43 -0.970 -3.446 11.222 1.00 42.34 O ATOM 689 OE2 GLU A 43 0.877 -4.580 11.579 1.00 23.24 O ATOM 0 H GLU A 43 2.112 -5.232 7.472 1.00 32.22 H new ATOM 0 HA GLU A 43 -0.006 -3.450 6.640 1.00 41.12 H new ATOM 0 HB2 GLU A 43 1.937 -3.289 8.985 1.00 70.20 H new ATOM 0 HB3 GLU A 43 0.478 -2.336 8.795 1.00 70.20 H new ATOM 0 HG2 GLU A 43 -0.873 -4.451 8.875 1.00 31.14 H new ATOM 0 HG3 GLU A 43 0.602 -5.354 9.157 1.00 31.14 H new ATOM 696 N ILE A 44 1.206 -1.433 5.753 1.00 62.44 N ATOM 697 CA ILE A 44 1.898 -0.294 5.131 1.00 1.51 C ATOM 698 C ILE A 44 1.151 1.019 5.400 1.00 72.43 C ATOM 699 O ILE A 44 -0.016 1.152 5.043 1.00 23.11 O ATOM 700 CB ILE A 44 2.019 -0.472 3.591 1.00 71.31 C ATOM 701 CG1 ILE A 44 2.757 -1.774 3.238 1.00 65.14 C ATOM 702 CG2 ILE A 44 2.724 0.732 2.962 1.00 73.04 C ATOM 703 CD1 ILE A 44 2.851 -2.037 1.744 1.00 52.44 C ATOM 0 H ILE A 44 0.197 -1.438 5.604 1.00 62.44 H new ATOM 0 HA ILE A 44 2.893 -0.256 5.575 1.00 1.51 H new ATOM 0 HB ILE A 44 1.011 -0.536 3.182 1.00 71.31 H new ATOM 0 HG12 ILE A 44 3.763 -1.735 3.655 1.00 65.14 H new ATOM 0 HG13 ILE A 44 2.246 -2.611 3.714 1.00 65.14 H new ATOM 0 HG21 ILE A 44 2.799 0.588 1.884 1.00 73.04 H new ATOM 0 HG22 ILE A 44 2.152 1.637 3.168 1.00 73.04 H new ATOM 0 HG23 ILE A 44 3.724 0.830 3.385 1.00 73.04 H new ATOM 0 HD11 ILE A 44 3.384 -2.972 1.572 1.00 52.44 H new ATOM 0 HD12 ILE A 44 1.848 -2.109 1.323 1.00 52.44 H new ATOM 0 HD13 ILE A 44 3.388 -1.219 1.264 1.00 52.44 H new ATOM 715 N ARG A 45 1.814 1.990 6.020 1.00 4.10 N ATOM 716 CA ARG A 45 1.215 3.317 6.211 1.00 23.04 C ATOM 717 C ARG A 45 2.040 4.401 5.503 1.00 31.24 C ATOM 718 O ARG A 45 3.229 4.577 5.778 1.00 53.40 O ATOM 719 CB ARG A 45 1.071 3.660 7.701 1.00 5.52 C ATOM 720 CG ARG A 45 0.409 5.020 7.946 1.00 51.10 C ATOM 721 CD ARG A 45 0.290 5.345 9.431 1.00 2.02 C ATOM 722 NE ARG A 45 -0.584 4.411 10.141 1.00 44.42 N ATOM 723 CZ ARG A 45 -0.506 4.155 11.419 1.00 15.43 C ATOM 724 NH1 ARG A 45 0.346 4.783 12.170 1.00 61.20 N ATOM 725 NH2 ARG A 45 -1.307 3.290 11.948 1.00 0.33 N ATOM 0 H ARG A 45 2.756 1.891 6.397 1.00 4.10 H new ATOM 0 HA ARG A 45 0.220 3.287 5.768 1.00 23.04 H new ATOM 0 HB2 ARG A 45 0.483 2.884 8.191 1.00 5.52 H new ATOM 0 HB3 ARG A 45 2.057 3.654 8.166 1.00 5.52 H new ATOM 0 HG2 ARG A 45 0.989 5.799 7.451 1.00 51.10 H new ATOM 0 HG3 ARG A 45 -0.583 5.026 7.494 1.00 51.10 H new ATOM 0 HD2 ARG A 45 1.281 5.326 9.884 1.00 2.02 H new ATOM 0 HD3 ARG A 45 -0.095 6.358 9.548 1.00 2.02 H new ATOM 0 HE ARG A 45 -1.302 3.928 9.602 1.00 44.42 H new ATOM 0 HH11 ARG A 45 0.964 5.485 11.763 1.00 61.20 H new ATOM 0 HH12 ARG A 45 0.398 4.574 13.167 1.00 61.20 H new ATOM 0 HH21 ARG A 45 -1.996 2.811 11.368 1.00 0.33 H new ATOM 0 HH22 ARG A 45 -1.251 3.086 12.946 1.00 0.33 H new ATOM 739 N ILE A 46 1.402 5.111 4.577 1.00 53.02 N ATOM 740 CA ILE A 46 2.042 6.225 3.869 1.00 62.21 C ATOM 741 C ILE A 46 1.588 7.574 4.451 1.00 5.44 C ATOM 742 O ILE A 46 0.390 7.827 4.583 1.00 21.33 O ATOM 743 CB ILE A 46 1.720 6.186 2.352 1.00 42.12 C ATOM 744 CG1 ILE A 46 2.092 4.814 1.760 1.00 22.45 C ATOM 745 CG2 ILE A 46 2.457 7.310 1.619 1.00 71.15 C ATOM 746 CD1 ILE A 46 1.793 4.683 0.280 1.00 74.51 C ATOM 0 H ILE A 46 0.437 4.937 4.295 1.00 53.02 H new ATOM 0 HA ILE A 46 3.119 6.119 4.003 1.00 62.21 H new ATOM 0 HB ILE A 46 0.649 6.338 2.220 1.00 42.12 H new ATOM 0 HG12 ILE A 46 3.155 4.635 1.923 1.00 22.45 H new ATOM 0 HG13 ILE A 46 1.551 4.037 2.300 1.00 22.45 H new ATOM 0 HG21 ILE A 46 2.220 7.268 0.556 1.00 71.15 H new ATOM 0 HG22 ILE A 46 2.145 8.273 2.023 1.00 71.15 H new ATOM 0 HG23 ILE A 46 3.532 7.190 1.756 1.00 71.15 H new ATOM 0 HD11 ILE A 46 2.082 3.690 -0.063 1.00 74.51 H new ATOM 0 HD12 ILE A 46 0.726 4.829 0.110 1.00 74.51 H new ATOM 0 HD13 ILE A 46 2.355 5.436 -0.273 1.00 74.51 H new ATOM 758 N THR A 47 2.546 8.438 4.783 1.00 43.44 N ATOM 759 CA THR A 47 2.252 9.733 5.422 1.00 51.32 C ATOM 760 C THR A 47 2.766 10.911 4.577 1.00 44.20 C ATOM 761 O THR A 47 3.826 10.822 3.960 1.00 55.43 O ATOM 762 CB THR A 47 2.904 9.823 6.832 1.00 41.21 C ATOM 763 OG1 THR A 47 2.480 8.722 7.655 1.00 24.14 O ATOM 764 CG2 THR A 47 2.557 11.137 7.528 1.00 71.41 C ATOM 0 H THR A 47 3.539 8.269 4.622 1.00 43.44 H new ATOM 0 HA THR A 47 1.167 9.796 5.509 1.00 51.32 H new ATOM 0 HB THR A 47 3.984 9.780 6.692 1.00 41.21 H new ATOM 0 HG1 THR A 47 1.782 9.025 8.272 1.00 24.14 H new ATOM 0 HG21 THR A 47 3.030 11.165 8.510 1.00 71.41 H new ATOM 0 HG22 THR A 47 2.918 11.973 6.928 1.00 71.41 H new ATOM 0 HG23 THR A 47 1.476 11.213 7.643 1.00 71.41 H new ATOM 772 N GLY A 48 2.014 12.016 4.557 1.00 72.25 N ATOM 773 CA GLY A 48 2.474 13.234 3.881 1.00 41.34 C ATOM 774 C GLY A 48 2.023 13.357 2.425 1.00 31.10 C ATOM 775 O GLY A 48 2.500 14.230 1.696 1.00 43.25 O ATOM 0 H GLY A 48 1.096 12.093 4.995 1.00 72.25 H new ATOM 0 HA2 GLY A 48 2.113 14.101 4.435 1.00 41.34 H new ATOM 0 HA3 GLY A 48 3.563 13.265 3.915 1.00 41.34 H new ATOM 779 N VAL A 49 1.103 12.497 1.996 1.00 50.20 N ATOM 780 CA VAL A 49 0.591 12.544 0.621 1.00 34.01 C ATOM 781 C VAL A 49 -0.635 13.472 0.490 1.00 11.01 C ATOM 782 O VAL A 49 -1.538 13.449 1.336 1.00 21.41 O ATOM 783 CB VAL A 49 0.230 11.128 0.100 1.00 74.43 C ATOM 784 CG1 VAL A 49 1.491 10.284 -0.069 1.00 43.53 C ATOM 785 CG2 VAL A 49 -0.759 10.437 1.038 1.00 53.32 C ATOM 0 H VAL A 49 0.696 11.761 2.574 1.00 50.20 H new ATOM 0 HA VAL A 49 1.396 12.951 0.009 1.00 34.01 H new ATOM 0 HB VAL A 49 -0.248 11.235 -0.874 1.00 74.43 H new ATOM 0 HG11 VAL A 49 1.220 9.294 -0.435 1.00 43.53 H new ATOM 0 HG12 VAL A 49 2.158 10.765 -0.784 1.00 43.53 H new ATOM 0 HG13 VAL A 49 1.997 10.189 0.892 1.00 43.53 H new ATOM 0 HG21 VAL A 49 -0.996 9.446 0.651 1.00 53.32 H new ATOM 0 HG22 VAL A 49 -0.315 10.343 2.029 1.00 53.32 H new ATOM 0 HG23 VAL A 49 -1.672 11.029 1.104 1.00 53.32 H new ATOM 795 N PRO A 50 -0.679 14.304 -0.575 1.00 40.41 N ATOM 796 CA PRO A 50 -1.790 15.249 -0.812 1.00 70.32 C ATOM 797 C PRO A 50 -3.092 14.558 -1.281 1.00 71.22 C ATOM 798 O PRO A 50 -3.111 13.353 -1.543 1.00 30.53 O ATOM 799 CB PRO A 50 -1.228 16.169 -1.901 1.00 24.33 C ATOM 800 CG PRO A 50 -0.252 15.324 -2.646 1.00 61.31 C ATOM 801 CD PRO A 50 0.356 14.394 -1.629 1.00 2.35 C ATOM 0 HA PRO A 50 -2.086 15.768 0.100 1.00 70.32 H new ATOM 0 HB2 PRO A 50 -2.018 16.533 -2.558 1.00 24.33 H new ATOM 0 HB3 PRO A 50 -0.744 17.045 -1.468 1.00 24.33 H new ATOM 0 HG2 PRO A 50 -0.747 14.764 -3.439 1.00 61.31 H new ATOM 0 HG3 PRO A 50 0.514 15.938 -3.119 1.00 61.31 H new ATOM 0 HD2 PRO A 50 0.575 13.417 -2.060 1.00 2.35 H new ATOM 0 HD3 PRO A 50 1.294 14.787 -1.237 1.00 2.35 H new ATOM 809 N GLU A 51 -4.170 15.339 -1.401 1.00 35.11 N ATOM 810 CA GLU A 51 -5.513 14.790 -1.655 1.00 54.35 C ATOM 811 C GLU A 51 -5.657 14.124 -3.039 1.00 25.23 C ATOM 812 O GLU A 51 -6.139 12.994 -3.138 1.00 25.34 O ATOM 813 CB GLU A 51 -6.582 15.882 -1.467 1.00 2.13 C ATOM 814 CG GLU A 51 -6.418 17.093 -2.383 1.00 41.32 C ATOM 815 CD GLU A 51 -7.485 18.151 -2.153 1.00 31.31 C ATOM 816 OE1 GLU A 51 -8.632 17.951 -2.598 1.00 1.34 O ATOM 817 OE2 GLU A 51 -7.180 19.188 -1.525 1.00 73.23 O ATOM 0 H GLU A 51 -4.142 16.356 -1.327 1.00 35.11 H new ATOM 0 HA GLU A 51 -5.664 13.998 -0.921 1.00 54.35 H new ATOM 0 HB2 GLU A 51 -7.565 15.444 -1.638 1.00 2.13 H new ATOM 0 HB3 GLU A 51 -6.560 16.220 -0.431 1.00 2.13 H new ATOM 0 HG2 GLU A 51 -5.434 17.534 -2.223 1.00 41.32 H new ATOM 0 HG3 GLU A 51 -6.455 16.765 -3.422 1.00 41.32 H new ATOM 824 N GLN A 52 -5.237 14.805 -4.103 1.00 75.21 N ATOM 825 CA GLN A 52 -5.411 14.269 -5.462 1.00 62.14 C ATOM 826 C GLN A 52 -4.542 13.016 -5.684 1.00 3.32 C ATOM 827 O GLN A 52 -4.989 12.031 -6.270 1.00 33.11 O ATOM 828 CB GLN A 52 -5.090 15.345 -6.512 1.00 42.53 C ATOM 829 CG GLN A 52 -3.608 15.689 -6.623 1.00 11.14 C ATOM 830 CD GLN A 52 -3.344 16.898 -7.503 1.00 23.33 C ATOM 831 OE1 GLN A 52 -4.145 17.826 -7.567 1.00 1.44 O ATOM 832 NE2 GLN A 52 -2.227 16.892 -8.200 1.00 22.24 N ATOM 0 H GLN A 52 -4.780 15.716 -4.059 1.00 75.21 H new ATOM 0 HA GLN A 52 -6.454 13.975 -5.575 1.00 62.14 H new ATOM 0 HB2 GLN A 52 -5.446 15.005 -7.484 1.00 42.53 H new ATOM 0 HB3 GLN A 52 -5.644 16.251 -6.268 1.00 42.53 H new ATOM 0 HG2 GLN A 52 -3.209 15.878 -5.626 1.00 11.14 H new ATOM 0 HG3 GLN A 52 -3.070 14.830 -7.024 1.00 11.14 H new ATOM 0 HE21 GLN A 52 -1.583 16.105 -8.124 1.00 22.24 H new ATOM 0 HE22 GLN A 52 -2.006 17.674 -8.816 1.00 22.24 H new ATOM 841 N VAL A 53 -3.304 13.056 -5.189 1.00 64.32 N ATOM 842 CA VAL A 53 -2.383 11.918 -5.305 1.00 52.34 C ATOM 843 C VAL A 53 -2.842 10.745 -4.421 1.00 21.12 C ATOM 844 O VAL A 53 -2.629 9.574 -4.751 1.00 54.34 O ATOM 845 CB VAL A 53 -0.938 12.329 -4.922 1.00 41.12 C ATOM 846 CG1 VAL A 53 0.025 11.148 -5.046 1.00 51.24 C ATOM 847 CG2 VAL A 53 -0.472 13.502 -5.785 1.00 70.31 C ATOM 0 H VAL A 53 -2.913 13.863 -4.703 1.00 64.32 H new ATOM 0 HA VAL A 53 -2.391 11.597 -6.347 1.00 52.34 H new ATOM 0 HB VAL A 53 -0.941 12.645 -3.879 1.00 41.12 H new ATOM 0 HG11 VAL A 53 1.030 11.468 -4.771 1.00 51.24 H new ATOM 0 HG12 VAL A 53 -0.295 10.346 -4.381 1.00 51.24 H new ATOM 0 HG13 VAL A 53 0.028 10.787 -6.075 1.00 51.24 H new ATOM 0 HG21 VAL A 53 0.544 13.779 -5.504 1.00 70.31 H new ATOM 0 HG22 VAL A 53 -0.492 13.211 -6.835 1.00 70.31 H new ATOM 0 HG23 VAL A 53 -1.136 14.353 -5.631 1.00 70.31 H new ATOM 857 N ARG A 54 -3.483 11.075 -3.296 1.00 40.54 N ATOM 858 CA ARG A 54 -4.051 10.070 -2.389 1.00 35.03 C ATOM 859 C ARG A 54 -4.968 9.092 -3.142 1.00 2.11 C ATOM 860 O ARG A 54 -4.921 7.879 -2.923 1.00 72.43 O ATOM 861 CB ARG A 54 -4.849 10.765 -1.271 1.00 3.34 C ATOM 862 CG ARG A 54 -5.478 9.810 -0.254 1.00 20.44 C ATOM 863 CD ARG A 54 -4.470 9.299 0.775 1.00 0.42 C ATOM 864 NE ARG A 54 -3.345 8.594 0.164 1.00 1.31 N ATOM 865 CZ ARG A 54 -3.342 7.320 -0.107 1.00 52.32 C ATOM 866 NH1 ARG A 54 -4.420 6.617 0.032 1.00 72.14 N ATOM 867 NH2 ARG A 54 -2.270 6.752 -0.551 1.00 23.24 N ATOM 0 H ARG A 54 -3.623 12.038 -2.989 1.00 40.54 H new ATOM 0 HA ARG A 54 -3.226 9.503 -1.957 1.00 35.03 H new ATOM 0 HB2 ARG A 54 -4.188 11.453 -0.744 1.00 3.34 H new ATOM 0 HB3 ARG A 54 -5.638 11.365 -1.724 1.00 3.34 H new ATOM 0 HG2 ARG A 54 -6.292 10.319 0.262 1.00 20.44 H new ATOM 0 HG3 ARG A 54 -5.916 8.962 -0.780 1.00 20.44 H new ATOM 0 HD2 ARG A 54 -4.093 10.140 1.356 1.00 0.42 H new ATOM 0 HD3 ARG A 54 -4.976 8.631 1.472 1.00 0.42 H new ATOM 0 HE ARG A 54 -2.510 9.133 -0.064 1.00 1.31 H new ATOM 0 HH11 ARG A 54 -5.280 7.060 0.356 1.00 72.14 H new ATOM 0 HH12 ARG A 54 -4.410 5.620 -0.182 1.00 72.14 H new ATOM 0 HH21 ARG A 54 -1.422 7.301 -0.690 1.00 23.24 H new ATOM 0 HH22 ARG A 54 -2.272 5.754 -0.762 1.00 23.24 H new ATOM 881 N LYS A 55 -5.795 9.639 -4.027 1.00 5.02 N ATOM 882 CA LYS A 55 -6.741 8.845 -4.817 1.00 22.33 C ATOM 883 C LYS A 55 -6.016 7.833 -5.724 1.00 52.31 C ATOM 884 O LYS A 55 -6.304 6.635 -5.696 1.00 21.11 O ATOM 885 CB LYS A 55 -7.609 9.780 -5.669 1.00 13.42 C ATOM 886 CG LYS A 55 -8.288 10.885 -4.867 1.00 21.23 C ATOM 887 CD LYS A 55 -9.046 11.853 -5.771 1.00 61.43 C ATOM 888 CE LYS A 55 -9.695 12.982 -4.974 1.00 62.43 C ATOM 889 NZ LYS A 55 -10.425 13.937 -5.849 1.00 54.22 N ATOM 0 H LYS A 55 -5.832 10.640 -4.219 1.00 5.02 H new ATOM 0 HA LYS A 55 -7.369 8.282 -4.126 1.00 22.33 H new ATOM 0 HB2 LYS A 55 -6.989 10.233 -6.442 1.00 13.42 H new ATOM 0 HB3 LYS A 55 -8.372 9.190 -6.177 1.00 13.42 H new ATOM 0 HG2 LYS A 55 -8.978 10.442 -4.148 1.00 21.23 H new ATOM 0 HG3 LYS A 55 -7.539 11.432 -4.294 1.00 21.23 H new ATOM 0 HD2 LYS A 55 -8.362 12.274 -6.507 1.00 61.43 H new ATOM 0 HD3 LYS A 55 -9.813 11.310 -6.323 1.00 61.43 H new ATOM 0 HE2 LYS A 55 -10.385 12.559 -4.244 1.00 62.43 H new ATOM 0 HE3 LYS A 55 -8.928 13.517 -4.414 1.00 62.43 H new ATOM 0 HZ1 LYS A 55 -10.850 14.687 -5.266 1.00 54.22 H new ATOM 0 HZ2 LYS A 55 -9.762 14.361 -6.529 1.00 54.22 H new ATOM 0 HZ3 LYS A 55 -11.174 13.433 -6.364 1.00 54.22 H new ATOM 903 N GLU A 56 -5.067 8.327 -6.517 1.00 12.21 N ATOM 904 CA GLU A 56 -4.323 7.484 -7.462 1.00 45.12 C ATOM 905 C GLU A 56 -3.525 6.383 -6.742 1.00 14.51 C ATOM 906 O GLU A 56 -3.522 5.228 -7.172 1.00 51.35 O ATOM 907 CB GLU A 56 -3.400 8.353 -8.327 1.00 20.04 C ATOM 908 CG GLU A 56 -4.154 9.415 -9.134 1.00 13.23 C ATOM 909 CD GLU A 56 -3.265 10.179 -10.106 1.00 50.31 C ATOM 910 OE1 GLU A 56 -3.060 9.691 -11.239 1.00 65.35 O ATOM 911 OE2 GLU A 56 -2.779 11.274 -9.750 1.00 51.10 O ATOM 0 H GLU A 56 -4.792 9.309 -6.527 1.00 12.21 H new ATOM 0 HA GLU A 56 -5.045 6.984 -8.107 1.00 45.12 H new ATOM 0 HB2 GLU A 56 -2.668 8.845 -7.686 1.00 20.04 H new ATOM 0 HB3 GLU A 56 -2.844 7.712 -9.012 1.00 20.04 H new ATOM 0 HG2 GLU A 56 -4.959 8.935 -9.690 1.00 13.23 H new ATOM 0 HG3 GLU A 56 -4.619 10.121 -8.446 1.00 13.23 H new ATOM 918 N LEU A 57 -2.866 6.736 -5.636 1.00 55.01 N ATOM 919 CA LEU A 57 -2.140 5.747 -4.823 1.00 2.40 C ATOM 920 C LEU A 57 -3.093 4.692 -4.235 1.00 62.21 C ATOM 921 O LEU A 57 -2.747 3.514 -4.129 1.00 21.55 O ATOM 922 CB LEU A 57 -1.365 6.441 -3.691 1.00 40.23 C ATOM 923 CG LEU A 57 -0.222 7.367 -4.143 1.00 21.32 C ATOM 924 CD1 LEU A 57 0.461 8.011 -2.938 1.00 73.40 C ATOM 925 CD2 LEU A 57 0.792 6.597 -4.990 1.00 43.14 C ATOM 0 H LEU A 57 -2.818 7.691 -5.281 1.00 55.01 H new ATOM 0 HA LEU A 57 -1.434 5.239 -5.480 1.00 2.40 H new ATOM 0 HB2 LEU A 57 -2.068 7.024 -3.097 1.00 40.23 H new ATOM 0 HB3 LEU A 57 -0.951 5.675 -3.035 1.00 40.23 H new ATOM 0 HG LEU A 57 -0.649 8.160 -4.757 1.00 21.32 H new ATOM 0 HD11 LEU A 57 1.266 8.661 -3.281 1.00 73.40 H new ATOM 0 HD12 LEU A 57 -0.267 8.598 -2.378 1.00 73.40 H new ATOM 0 HD13 LEU A 57 0.872 7.233 -2.294 1.00 73.40 H new ATOM 0 HD21 LEU A 57 1.592 7.269 -5.300 1.00 43.14 H new ATOM 0 HD22 LEU A 57 1.211 5.780 -4.402 1.00 43.14 H new ATOM 0 HD23 LEU A 57 0.296 6.192 -5.872 1.00 43.14 H new ATOM 937 N ALA A 58 -4.296 5.121 -3.851 1.00 15.15 N ATOM 938 CA ALA A 58 -5.315 4.197 -3.339 1.00 64.55 C ATOM 939 C ALA A 58 -5.784 3.222 -4.430 1.00 44.44 C ATOM 940 O ALA A 58 -6.177 2.090 -4.143 1.00 65.35 O ATOM 941 CB ALA A 58 -6.502 4.973 -2.778 1.00 22.13 C ATOM 0 H ALA A 58 -4.590 6.097 -3.884 1.00 15.15 H new ATOM 0 HA ALA A 58 -4.863 3.613 -2.537 1.00 64.55 H new ATOM 0 HB1 ALA A 58 -7.249 4.274 -2.402 1.00 22.13 H new ATOM 0 HB2 ALA A 58 -6.165 5.616 -1.965 1.00 22.13 H new ATOM 0 HB3 ALA A 58 -6.942 5.585 -3.566 1.00 22.13 H new ATOM 947 N LYS A 59 -5.750 3.676 -5.680 1.00 61.15 N ATOM 948 CA LYS A 59 -6.131 2.839 -6.821 1.00 55.41 C ATOM 949 C LYS A 59 -5.004 1.858 -7.202 1.00 2.43 C ATOM 950 O LYS A 59 -5.268 0.728 -7.623 1.00 0.03 O ATOM 951 CB LYS A 59 -6.507 3.728 -8.018 1.00 52.30 C ATOM 952 CG LYS A 59 -7.089 2.964 -9.206 1.00 41.10 C ATOM 953 CD LYS A 59 -7.648 3.906 -10.274 1.00 51.52 C ATOM 954 CE LYS A 59 -6.561 4.770 -10.907 1.00 32.53 C ATOM 955 NZ LYS A 59 -5.595 3.962 -11.693 1.00 43.04 N ATOM 0 H LYS A 59 -5.462 4.621 -5.932 1.00 61.15 H new ATOM 0 HA LYS A 59 -6.998 2.243 -6.534 1.00 55.41 H new ATOM 0 HB2 LYS A 59 -7.231 4.473 -7.689 1.00 52.30 H new ATOM 0 HB3 LYS A 59 -5.620 4.269 -8.347 1.00 52.30 H new ATOM 0 HG2 LYS A 59 -6.316 2.335 -9.646 1.00 41.10 H new ATOM 0 HG3 LYS A 59 -7.880 2.300 -8.858 1.00 41.10 H new ATOM 0 HD2 LYS A 59 -8.142 3.321 -11.050 1.00 51.52 H new ATOM 0 HD3 LYS A 59 -8.407 4.549 -9.828 1.00 51.52 H new ATOM 0 HE2 LYS A 59 -7.022 5.515 -11.555 1.00 32.53 H new ATOM 0 HE3 LYS A 59 -6.029 5.313 -10.126 1.00 32.53 H new ATOM 0 HZ1 LYS A 59 -4.967 4.595 -12.228 1.00 43.04 H new ATOM 0 HZ2 LYS A 59 -5.028 3.375 -11.048 1.00 43.04 H new ATOM 0 HZ3 LYS A 59 -6.113 3.349 -12.354 1.00 43.04 H new ATOM 969 N GLU A 60 -3.749 2.292 -7.049 1.00 44.52 N ATOM 970 CA GLU A 60 -2.588 1.433 -7.338 1.00 14.43 C ATOM 971 C GLU A 60 -2.559 0.189 -6.433 1.00 60.32 C ATOM 972 O GLU A 60 -2.267 -0.915 -6.896 1.00 65.25 O ATOM 973 CB GLU A 60 -1.273 2.219 -7.198 1.00 10.05 C ATOM 974 CG GLU A 60 -0.022 1.356 -7.373 1.00 0.23 C ATOM 975 CD GLU A 60 1.266 2.169 -7.437 1.00 3.34 C ATOM 976 OE1 GLU A 60 1.654 2.764 -6.408 1.00 64.22 O ATOM 977 OE2 GLU A 60 1.895 2.214 -8.521 1.00 11.23 O ATOM 0 H GLU A 60 -3.508 3.230 -6.728 1.00 44.52 H new ATOM 0 HA GLU A 60 -2.689 1.096 -8.370 1.00 14.43 H new ATOM 0 HB2 GLU A 60 -1.258 3.020 -7.937 1.00 10.05 H new ATOM 0 HB3 GLU A 60 -1.244 2.691 -6.216 1.00 10.05 H new ATOM 0 HG2 GLU A 60 0.043 0.650 -6.545 1.00 0.23 H new ATOM 0 HG3 GLU A 60 -0.119 0.769 -8.286 1.00 0.23 H new ATOM 984 N ALA A 61 -2.872 0.371 -5.148 1.00 12.04 N ATOM 985 CA ALA A 61 -2.930 -0.747 -4.193 1.00 25.22 C ATOM 986 C ALA A 61 -3.802 -1.902 -4.720 1.00 72.41 C ATOM 987 O ALA A 61 -3.435 -3.074 -4.619 1.00 31.42 O ATOM 988 CB ALA A 61 -3.452 -0.256 -2.847 1.00 13.54 C ATOM 0 H ALA A 61 -3.090 1.281 -4.741 1.00 12.04 H new ATOM 0 HA ALA A 61 -1.919 -1.133 -4.067 1.00 25.22 H new ATOM 0 HB1 ALA A 61 -3.492 -1.090 -2.146 1.00 13.54 H new ATOM 0 HB2 ALA A 61 -2.786 0.514 -2.457 1.00 13.54 H new ATOM 0 HB3 ALA A 61 -4.452 0.159 -2.974 1.00 13.54 H new ATOM 994 N GLU A 62 -4.955 -1.554 -5.288 1.00 30.10 N ATOM 995 CA GLU A 62 -5.854 -2.539 -5.904 1.00 34.14 C ATOM 996 C GLU A 62 -5.167 -3.278 -7.063 1.00 72.40 C ATOM 997 O GLU A 62 -5.312 -4.495 -7.214 1.00 5.51 O ATOM 998 CB GLU A 62 -7.123 -1.842 -6.413 1.00 5.24 C ATOM 999 CG GLU A 62 -8.063 -1.377 -5.307 1.00 32.11 C ATOM 1000 CD GLU A 62 -8.761 -2.529 -4.598 1.00 73.33 C ATOM 1001 OE1 GLU A 62 -9.286 -3.424 -5.293 1.00 70.24 O ATOM 1002 OE2 GLU A 62 -8.813 -2.534 -3.350 1.00 4.35 O ATOM 0 H GLU A 62 -5.294 -0.593 -5.336 1.00 30.10 H new ATOM 0 HA GLU A 62 -6.119 -3.274 -5.143 1.00 34.14 H new ATOM 0 HB2 GLU A 62 -6.835 -0.981 -7.016 1.00 5.24 H new ATOM 0 HB3 GLU A 62 -7.662 -2.525 -7.070 1.00 5.24 H new ATOM 0 HG2 GLU A 62 -7.498 -0.797 -4.577 1.00 32.11 H new ATOM 0 HG3 GLU A 62 -8.814 -0.710 -5.732 1.00 32.11 H new ATOM 1009 N ARG A 63 -4.421 -2.529 -7.874 1.00 63.21 N ATOM 1010 CA ARG A 63 -3.683 -3.098 -9.004 1.00 22.20 C ATOM 1011 C ARG A 63 -2.622 -4.099 -8.519 1.00 12.23 C ATOM 1012 O ARG A 63 -2.579 -5.244 -8.975 1.00 14.00 O ATOM 1013 CB ARG A 63 -3.012 -1.978 -9.819 1.00 33.13 C ATOM 1014 CG ARG A 63 -2.184 -2.484 -10.998 1.00 14.33 C ATOM 1015 CD ARG A 63 -3.056 -3.051 -12.116 1.00 74.35 C ATOM 1016 NE ARG A 63 -2.293 -3.915 -13.009 1.00 61.33 N ATOM 1017 CZ ARG A 63 -1.632 -3.509 -14.061 1.00 34.51 C ATOM 1018 NH1 ARG A 63 -1.655 -2.264 -14.429 1.00 75.05 N ATOM 1019 NH2 ARG A 63 -0.949 -4.365 -14.748 1.00 41.10 N ATOM 0 H ARG A 63 -4.311 -1.520 -7.769 1.00 63.21 H new ATOM 0 HA ARG A 63 -4.392 -3.628 -9.640 1.00 22.20 H new ATOM 0 HB2 ARG A 63 -3.781 -1.302 -10.191 1.00 33.13 H new ATOM 0 HB3 ARG A 63 -2.369 -1.396 -9.159 1.00 33.13 H new ATOM 0 HG2 ARG A 63 -1.578 -1.667 -11.391 1.00 14.33 H new ATOM 0 HG3 ARG A 63 -1.495 -3.254 -10.651 1.00 14.33 H new ATOM 0 HD2 ARG A 63 -3.882 -3.614 -11.683 1.00 74.35 H new ATOM 0 HD3 ARG A 63 -3.493 -2.232 -12.687 1.00 74.35 H new ATOM 0 HE ARG A 63 -2.274 -4.912 -12.797 1.00 61.33 H new ATOM 0 HH11 ARG A 63 -2.195 -1.584 -13.894 1.00 75.05 H new ATOM 0 HH12 ARG A 63 -1.133 -1.966 -15.253 1.00 75.05 H new ATOM 0 HH21 ARG A 63 -0.930 -5.345 -14.467 1.00 41.10 H new ATOM 0 HH22 ARG A 63 -0.429 -4.060 -15.571 1.00 41.10 H new ATOM 1033 N LEU A 64 -1.779 -3.649 -7.590 1.00 20.24 N ATOM 1034 CA LEU A 64 -0.713 -4.480 -7.012 1.00 65.30 C ATOM 1035 C LEU A 64 -1.241 -5.838 -6.528 1.00 71.10 C ATOM 1036 O LEU A 64 -0.670 -6.887 -6.838 1.00 13.12 O ATOM 1037 CB LEU A 64 -0.056 -3.738 -5.839 1.00 41.23 C ATOM 1038 CG LEU A 64 0.701 -2.455 -6.214 1.00 14.13 C ATOM 1039 CD1 LEU A 64 1.090 -1.674 -4.966 1.00 21.24 C ATOM 1040 CD2 LEU A 64 1.938 -2.789 -7.045 1.00 41.42 C ATOM 0 H LEU A 64 -1.812 -2.701 -7.215 1.00 20.24 H new ATOM 0 HA LEU A 64 0.020 -4.668 -7.796 1.00 65.30 H new ATOM 0 HB2 LEU A 64 -0.828 -3.485 -5.112 1.00 41.23 H new ATOM 0 HB3 LEU A 64 0.637 -4.418 -5.344 1.00 41.23 H new ATOM 0 HG LEU A 64 0.040 -1.830 -6.814 1.00 14.13 H new ATOM 0 HD11 LEU A 64 1.625 -0.769 -5.255 1.00 21.24 H new ATOM 0 HD12 LEU A 64 0.191 -1.403 -4.412 1.00 21.24 H new ATOM 0 HD13 LEU A 64 1.732 -2.290 -4.337 1.00 21.24 H new ATOM 0 HD21 LEU A 64 2.463 -1.869 -7.302 1.00 41.42 H new ATOM 0 HD22 LEU A 64 2.600 -3.435 -6.469 1.00 41.42 H new ATOM 0 HD23 LEU A 64 1.635 -3.302 -7.958 1.00 41.42 H new ATOM 1052 N ALA A 65 -2.335 -5.803 -5.771 1.00 44.11 N ATOM 1053 CA ALA A 65 -2.948 -7.018 -5.234 1.00 31.25 C ATOM 1054 C ALA A 65 -3.359 -7.993 -6.349 1.00 21.45 C ATOM 1055 O ALA A 65 -2.982 -9.167 -6.332 1.00 41.04 O ATOM 1056 CB ALA A 65 -4.154 -6.658 -4.376 1.00 2.42 C ATOM 0 H ALA A 65 -2.818 -4.942 -5.514 1.00 44.11 H new ATOM 0 HA ALA A 65 -2.203 -7.521 -4.618 1.00 31.25 H new ATOM 0 HB1 ALA A 65 -4.604 -7.569 -3.980 1.00 2.42 H new ATOM 0 HB2 ALA A 65 -3.836 -6.022 -3.550 1.00 2.42 H new ATOM 0 HB3 ALA A 65 -4.886 -6.125 -4.983 1.00 2.42 H new ATOM 1062 N LYS A 66 -4.122 -7.499 -7.323 1.00 73.15 N ATOM 1063 CA LYS A 66 -4.646 -8.352 -8.398 1.00 21.24 C ATOM 1064 C LYS A 66 -3.529 -8.979 -9.254 1.00 23.12 C ATOM 1065 O LYS A 66 -3.664 -10.115 -9.709 1.00 42.21 O ATOM 1066 CB LYS A 66 -5.622 -7.573 -9.289 1.00 11.24 C ATOM 1067 CG LYS A 66 -6.880 -7.112 -8.556 1.00 52.44 C ATOM 1068 CD LYS A 66 -7.970 -6.650 -9.520 1.00 21.51 C ATOM 1069 CE LYS A 66 -8.420 -7.779 -10.448 1.00 65.12 C ATOM 1070 NZ LYS A 66 -8.901 -8.968 -9.692 1.00 34.42 N ATOM 0 H LYS A 66 -4.392 -6.518 -7.393 1.00 73.15 H new ATOM 0 HA LYS A 66 -5.180 -9.169 -7.913 1.00 21.24 H new ATOM 0 HB2 LYS A 66 -5.111 -6.702 -9.700 1.00 11.24 H new ATOM 0 HB3 LYS A 66 -5.912 -8.200 -10.132 1.00 11.24 H new ATOM 0 HG2 LYS A 66 -7.261 -7.928 -7.943 1.00 52.44 H new ATOM 0 HG3 LYS A 66 -6.626 -6.296 -7.879 1.00 52.44 H new ATOM 0 HD2 LYS A 66 -8.825 -6.282 -8.953 1.00 21.51 H new ATOM 0 HD3 LYS A 66 -7.600 -5.815 -10.115 1.00 21.51 H new ATOM 0 HE2 LYS A 66 -9.216 -7.417 -11.098 1.00 65.12 H new ATOM 0 HE3 LYS A 66 -7.590 -8.071 -11.092 1.00 65.12 H new ATOM 0 HZ1 LYS A 66 -9.366 -9.630 -10.345 1.00 34.42 H new ATOM 0 HZ2 LYS A 66 -8.094 -9.440 -9.237 1.00 34.42 H new ATOM 0 HZ3 LYS A 66 -9.580 -8.666 -8.964 1.00 34.42 H new ATOM 1084 N GLU A 67 -2.432 -8.250 -9.471 1.00 12.12 N ATOM 1085 CA GLU A 67 -1.292 -8.786 -10.235 1.00 13.33 C ATOM 1086 C GLU A 67 -0.789 -10.108 -9.631 1.00 22.24 C ATOM 1087 O GLU A 67 -0.589 -11.100 -10.338 1.00 52.04 O ATOM 1088 CB GLU A 67 -0.138 -7.768 -10.282 1.00 34.01 C ATOM 1089 CG GLU A 67 -0.477 -6.460 -10.996 1.00 23.53 C ATOM 1090 CD GLU A 67 -0.821 -6.650 -12.468 1.00 41.05 C ATOM 1091 OE1 GLU A 67 0.103 -6.645 -13.312 1.00 12.12 O ATOM 1092 OE2 GLU A 67 -2.019 -6.780 -12.798 1.00 21.02 O ATOM 0 H GLU A 67 -2.304 -7.296 -9.134 1.00 12.12 H new ATOM 0 HA GLU A 67 -1.641 -8.977 -11.250 1.00 13.33 H new ATOM 0 HB2 GLU A 67 0.171 -7.541 -9.262 1.00 34.01 H new ATOM 0 HB3 GLU A 67 0.716 -8.228 -10.779 1.00 34.01 H new ATOM 0 HG2 GLU A 67 -1.319 -5.986 -10.491 1.00 23.53 H new ATOM 0 HG3 GLU A 67 0.369 -5.778 -10.913 1.00 23.53 H new ATOM 1099 N PHE A 68 -0.605 -10.117 -8.313 1.00 24.23 N ATOM 1100 CA PHE A 68 -0.125 -11.309 -7.602 1.00 24.33 C ATOM 1101 C PHE A 68 -1.289 -12.155 -7.056 1.00 73.33 C ATOM 1102 O PHE A 68 -1.076 -13.119 -6.319 1.00 2.23 O ATOM 1103 CB PHE A 68 0.812 -10.887 -6.466 1.00 2.10 C ATOM 1104 CG PHE A 68 2.042 -10.162 -6.953 1.00 73.00 C ATOM 1105 CD1 PHE A 68 3.160 -10.869 -7.374 1.00 0.31 C ATOM 1106 CD2 PHE A 68 2.080 -8.773 -6.996 1.00 64.33 C ATOM 1107 CE1 PHE A 68 4.286 -10.209 -7.828 1.00 12.12 C ATOM 1108 CE2 PHE A 68 3.205 -8.110 -7.449 1.00 70.31 C ATOM 1109 CZ PHE A 68 4.310 -8.829 -7.863 1.00 70.11 C ATOM 0 H PHE A 68 -0.780 -9.313 -7.711 1.00 24.23 H new ATOM 0 HA PHE A 68 0.421 -11.931 -8.311 1.00 24.33 H new ATOM 0 HB2 PHE A 68 0.268 -10.244 -5.774 1.00 2.10 H new ATOM 0 HB3 PHE A 68 1.116 -11.771 -5.906 1.00 2.10 H new ATOM 0 HD1 PHE A 68 3.150 -11.949 -7.346 1.00 0.31 H new ATOM 0 HD2 PHE A 68 1.220 -8.205 -6.672 1.00 64.33 H new ATOM 0 HE1 PHE A 68 5.147 -10.773 -8.155 1.00 12.12 H new ATOM 0 HE2 PHE A 68 3.220 -7.031 -7.479 1.00 70.31 H new ATOM 0 HZ PHE A 68 5.191 -8.312 -8.213 1.00 70.11 H new ATOM 1119 N ASN A 69 -2.515 -11.783 -7.434 1.00 24.15 N ATOM 1120 CA ASN A 69 -3.730 -12.515 -7.046 1.00 34.31 C ATOM 1121 C ASN A 69 -3.900 -12.560 -5.510 1.00 2.14 C ATOM 1122 O ASN A 69 -4.457 -13.509 -4.952 1.00 33.23 O ATOM 1123 CB ASN A 69 -3.701 -13.933 -7.645 1.00 42.33 C ATOM 1124 CG ASN A 69 -5.061 -14.606 -7.612 1.00 31.03 C ATOM 1125 OD1 ASN A 69 -5.325 -15.374 -6.576 1.00 42.41 O flip ATOM 1126 ND2 ASN A 69 -5.869 -14.449 -8.520 1.00 71.31 N flip ATOM 0 H ASN A 69 -2.696 -10.966 -8.018 1.00 24.15 H new ATOM 0 HA ASN A 69 -4.594 -11.984 -7.446 1.00 34.31 H new ATOM 0 HB2 ASN A 69 -3.350 -13.881 -8.676 1.00 42.33 H new ATOM 0 HB3 ASN A 69 -2.984 -14.542 -7.094 1.00 42.33 H new ATOM 0 HD21 ASN A 69 -5.637 -13.848 -9.311 1.00 71.31 H new ATOM 0 HD22 ASN A 69 -6.773 -14.920 -8.485 1.00 71.31 H new ATOM 1133 N ILE A 70 -3.431 -11.517 -4.833 1.00 1.50 N ATOM 1134 CA ILE A 70 -3.572 -11.412 -3.375 1.00 64.34 C ATOM 1135 C ILE A 70 -4.652 -10.384 -2.992 1.00 11.51 C ATOM 1136 O ILE A 70 -5.174 -9.662 -3.845 1.00 54.15 O ATOM 1137 CB ILE A 70 -2.226 -11.037 -2.697 1.00 13.14 C ATOM 1138 CG1 ILE A 70 -1.719 -9.677 -3.206 1.00 20.12 C ATOM 1139 CG2 ILE A 70 -1.181 -12.127 -2.941 1.00 24.21 C ATOM 1140 CD1 ILE A 70 -0.416 -9.227 -2.574 1.00 54.35 C ATOM 0 H ILE A 70 -2.949 -10.729 -5.266 1.00 1.50 H new ATOM 0 HA ILE A 70 -3.878 -12.394 -3.015 1.00 64.34 H new ATOM 0 HB ILE A 70 -2.395 -10.956 -1.623 1.00 13.14 H new ATOM 0 HG12 ILE A 70 -1.587 -9.732 -4.287 1.00 20.12 H new ATOM 0 HG13 ILE A 70 -2.482 -8.922 -3.016 1.00 20.12 H new ATOM 0 HG21 ILE A 70 -0.244 -11.847 -2.459 1.00 24.21 H new ATOM 0 HG22 ILE A 70 -1.535 -13.070 -2.526 1.00 24.21 H new ATOM 0 HG23 ILE A 70 -1.018 -12.241 -4.013 1.00 24.21 H new ATOM 0 HD11 ILE A 70 -0.127 -8.260 -2.986 1.00 54.35 H new ATOM 0 HD12 ILE A 70 -0.547 -9.138 -1.496 1.00 54.35 H new ATOM 0 HD13 ILE A 70 0.363 -9.959 -2.786 1.00 54.35 H new ATOM 1152 N THR A 71 -4.989 -10.326 -1.705 1.00 74.50 N ATOM 1153 CA THR A 71 -6.021 -9.401 -1.212 1.00 24.12 C ATOM 1154 C THR A 71 -5.402 -8.125 -0.624 1.00 62.11 C ATOM 1155 O THR A 71 -4.342 -8.166 0.002 1.00 0.14 O ATOM 1156 CB THR A 71 -6.914 -10.070 -0.134 1.00 63.13 C ATOM 1157 OG1 THR A 71 -6.107 -10.578 0.938 1.00 53.11 O ATOM 1158 CG2 THR A 71 -7.744 -11.207 -0.730 1.00 42.11 C ATOM 0 H THR A 71 -4.566 -10.906 -0.981 1.00 74.50 H new ATOM 0 HA THR A 71 -6.635 -9.136 -2.073 1.00 24.12 H new ATOM 0 HB THR A 71 -7.593 -9.309 0.251 1.00 63.13 H new ATOM 0 HG1 THR A 71 -6.683 -10.996 1.612 1.00 53.11 H new ATOM 0 HG21 THR A 71 -8.359 -11.656 0.050 1.00 42.11 H new ATOM 0 HG22 THR A 71 -8.387 -10.814 -1.518 1.00 42.11 H new ATOM 0 HG23 THR A 71 -7.079 -11.963 -1.147 1.00 42.11 H new ATOM 1166 N VAL A 72 -6.058 -6.984 -0.839 1.00 13.10 N ATOM 1167 CA VAL A 72 -5.592 -5.714 -0.267 1.00 43.22 C ATOM 1168 C VAL A 72 -6.713 -4.976 0.488 1.00 24.31 C ATOM 1169 O VAL A 72 -7.765 -4.652 -0.074 1.00 32.11 O ATOM 1170 CB VAL A 72 -4.980 -4.778 -1.348 1.00 25.02 C ATOM 1171 CG1 VAL A 72 -6.010 -4.407 -2.412 1.00 62.14 C ATOM 1172 CG2 VAL A 72 -4.382 -3.526 -0.706 1.00 31.35 C ATOM 0 H VAL A 72 -6.907 -6.910 -1.400 1.00 13.10 H new ATOM 0 HA VAL A 72 -4.810 -5.974 0.446 1.00 43.22 H new ATOM 0 HB VAL A 72 -4.177 -5.324 -1.844 1.00 25.02 H new ATOM 0 HG11 VAL A 72 -5.549 -3.752 -3.152 1.00 62.14 H new ATOM 0 HG12 VAL A 72 -6.369 -5.312 -2.902 1.00 62.14 H new ATOM 0 HG13 VAL A 72 -6.848 -3.891 -1.943 1.00 62.14 H new ATOM 0 HG21 VAL A 72 -3.960 -2.886 -1.481 1.00 31.35 H new ATOM 0 HG22 VAL A 72 -5.162 -2.983 -0.172 1.00 31.35 H new ATOM 0 HG23 VAL A 72 -3.597 -3.815 -0.007 1.00 31.35 H new ATOM 1182 N THR A 73 -6.481 -4.734 1.774 1.00 63.14 N ATOM 1183 CA THR A 73 -7.407 -3.959 2.611 1.00 75.30 C ATOM 1184 C THR A 73 -6.733 -2.671 3.091 1.00 31.02 C ATOM 1185 O THR A 73 -5.573 -2.684 3.498 1.00 32.34 O ATOM 1186 CB THR A 73 -7.877 -4.769 3.846 1.00 14.01 C ATOM 1187 OG1 THR A 73 -6.749 -5.145 4.650 1.00 11.24 O ATOM 1188 CG2 THR A 73 -8.643 -6.022 3.423 1.00 34.13 C ATOM 0 H THR A 73 -5.653 -5.065 2.269 1.00 63.14 H new ATOM 0 HA THR A 73 -8.277 -3.722 1.998 1.00 75.30 H new ATOM 0 HB THR A 73 -8.544 -4.134 4.429 1.00 14.01 H new ATOM 0 HG1 THR A 73 -6.574 -4.446 5.315 1.00 11.24 H new ATOM 0 HG21 THR A 73 -8.961 -6.571 4.310 1.00 34.13 H new ATOM 0 HG22 THR A 73 -9.519 -5.734 2.841 1.00 34.13 H new ATOM 0 HG23 THR A 73 -7.997 -6.656 2.816 1.00 34.13 H new ATOM 1196 N TYR A 74 -7.447 -1.549 3.034 1.00 24.12 N ATOM 1197 CA TYR A 74 -6.859 -0.261 3.422 1.00 20.43 C ATOM 1198 C TYR A 74 -7.888 0.717 4.005 1.00 61.23 C ATOM 1199 O TYR A 74 -9.082 0.632 3.727 1.00 71.30 O ATOM 1200 CB TYR A 74 -6.122 0.379 2.230 1.00 75.10 C ATOM 1201 CG TYR A 74 -6.908 0.386 0.930 1.00 73.41 C ATOM 1202 CD1 TYR A 74 -7.977 1.259 0.734 1.00 54.23 C ATOM 1203 CD2 TYR A 74 -6.576 -0.482 -0.108 1.00 64.04 C ATOM 1204 CE1 TYR A 74 -8.686 1.264 -0.452 1.00 63.42 C ATOM 1205 CE2 TYR A 74 -7.280 -0.479 -1.294 1.00 11.42 C ATOM 1206 CZ TYR A 74 -8.335 0.391 -1.461 1.00 45.30 C ATOM 1207 OH TYR A 74 -9.043 0.388 -2.642 1.00 2.32 O ATOM 0 H TYR A 74 -8.419 -1.500 2.728 1.00 24.12 H new ATOM 0 HA TYR A 74 -6.143 -0.473 4.217 1.00 20.43 H new ATOM 0 HB2 TYR A 74 -5.864 1.406 2.489 1.00 75.10 H new ATOM 0 HB3 TYR A 74 -5.185 -0.155 2.070 1.00 75.10 H new ATOM 0 HD1 TYR A 74 -8.256 1.943 1.522 1.00 54.23 H new ATOM 0 HD2 TYR A 74 -5.753 -1.169 0.018 1.00 64.04 H new ATOM 0 HE1 TYR A 74 -9.511 1.948 -0.588 1.00 63.42 H new ATOM 0 HE2 TYR A 74 -7.005 -1.156 -2.089 1.00 11.42 H new ATOM 0 HH TYR A 74 -9.115 -0.530 -2.978 1.00 2.32 H new ATOM 1217 N THR A 75 -7.397 1.646 4.825 1.00 51.23 N ATOM 1218 CA THR A 75 -8.234 2.678 5.450 1.00 35.34 C ATOM 1219 C THR A 75 -7.598 4.065 5.283 1.00 61.24 C ATOM 1220 O THR A 75 -6.405 4.246 5.540 1.00 72.44 O ATOM 1221 CB THR A 75 -8.440 2.405 6.963 1.00 70.22 C ATOM 1222 OG1 THR A 75 -8.977 1.087 7.164 1.00 15.03 O ATOM 1223 CG2 THR A 75 -9.377 3.432 7.592 1.00 60.13 C ATOM 0 H THR A 75 -6.410 1.707 5.076 1.00 51.23 H new ATOM 0 HA THR A 75 -9.202 2.650 4.949 1.00 35.34 H new ATOM 0 HB THR A 75 -7.466 2.482 7.445 1.00 70.22 H new ATOM 0 HG1 THR A 75 -9.101 0.927 8.123 1.00 15.03 H new ATOM 0 HG21 THR A 75 -9.500 3.211 8.652 1.00 60.13 H new ATOM 0 HG22 THR A 75 -8.954 4.430 7.475 1.00 60.13 H new ATOM 0 HG23 THR A 75 -10.348 3.389 7.098 1.00 60.13 H new ATOM 1231 N ILE A 76 -8.394 5.040 4.852 1.00 53.43 N ATOM 1232 CA ILE A 76 -7.905 6.408 4.639 1.00 74.14 C ATOM 1233 C ILE A 76 -8.145 7.284 5.882 1.00 3.35 C ATOM 1234 O ILE A 76 -9.285 7.441 6.329 1.00 60.42 O ATOM 1235 CB ILE A 76 -8.594 7.067 3.415 1.00 44.14 C ATOM 1236 CG1 ILE A 76 -8.465 6.169 2.169 1.00 43.20 C ATOM 1237 CG2 ILE A 76 -8.002 8.453 3.146 1.00 62.33 C ATOM 1238 CD1 ILE A 76 -7.035 5.889 1.752 1.00 3.11 C ATOM 0 H ILE A 76 -9.384 4.912 4.642 1.00 53.43 H new ATOM 0 HA ILE A 76 -6.834 6.337 4.451 1.00 74.14 H new ATOM 0 HB ILE A 76 -9.654 7.185 3.641 1.00 44.14 H new ATOM 0 HG12 ILE A 76 -8.967 5.221 2.364 1.00 43.20 H new ATOM 0 HG13 ILE A 76 -8.988 6.642 1.338 1.00 43.20 H new ATOM 0 HG21 ILE A 76 -8.498 8.899 2.284 1.00 62.33 H new ATOM 0 HG22 ILE A 76 -8.151 9.088 4.019 1.00 62.33 H new ATOM 0 HG23 ILE A 76 -6.935 8.360 2.943 1.00 62.33 H new ATOM 0 HD11 ILE A 76 -7.032 5.251 0.868 1.00 3.11 H new ATOM 0 HD12 ILE A 76 -6.532 6.829 1.523 1.00 3.11 H new ATOM 0 HD13 ILE A 76 -6.511 5.386 2.565 1.00 3.11 H new ATOM 1250 N ARG A 77 -7.075 7.855 6.437 1.00 24.32 N ATOM 1251 CA ARG A 77 -7.192 8.723 7.618 1.00 72.42 C ATOM 1252 C ARG A 77 -6.825 10.188 7.305 1.00 2.42 C ATOM 1253 O ARG A 77 -5.782 10.479 6.708 1.00 71.22 O ATOM 1254 CB ARG A 77 -6.340 8.183 8.781 1.00 23.14 C ATOM 1255 CG ARG A 77 -4.913 7.811 8.394 1.00 63.02 C ATOM 1256 CD ARG A 77 -4.071 7.445 9.612 1.00 24.00 C ATOM 1257 NE ARG A 77 -3.892 8.586 10.510 1.00 73.25 N ATOM 1258 CZ ARG A 77 -3.206 8.550 11.620 1.00 34.21 C ATOM 1259 NH1 ARG A 77 -2.632 7.454 12.010 1.00 63.42 N ATOM 1260 NH2 ARG A 77 -3.096 9.616 12.342 1.00 0.33 N ATOM 0 H ARG A 77 -6.122 7.736 6.093 1.00 24.32 H new ATOM 0 HA ARG A 77 -8.239 8.712 7.920 1.00 72.42 H new ATOM 0 HB2 ARG A 77 -6.306 8.934 9.570 1.00 23.14 H new ATOM 0 HB3 ARG A 77 -6.832 7.304 9.198 1.00 23.14 H new ATOM 0 HG2 ARG A 77 -4.932 6.971 7.700 1.00 63.02 H new ATOM 0 HG3 ARG A 77 -4.449 8.647 7.870 1.00 63.02 H new ATOM 0 HD2 ARG A 77 -4.549 6.628 10.153 1.00 24.00 H new ATOM 0 HD3 ARG A 77 -3.096 7.083 9.285 1.00 24.00 H new ATOM 0 HE ARG A 77 -4.333 9.469 10.251 1.00 73.25 H new ATOM 0 HH11 ARG A 77 -2.714 6.607 11.447 1.00 63.42 H new ATOM 0 HH12 ARG A 77 -2.099 7.439 12.879 1.00 63.42 H new ATOM 0 HH21 ARG A 77 -3.545 10.482 12.044 1.00 0.33 H new ATOM 0 HH22 ARG A 77 -2.561 9.591 13.210 1.00 0.33 H new