USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 878 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 4 THR OG1 : rot 77:sc= -1.07! USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0661 (180deg=-0.35) USER MOD Single : A 25 THR OG1 : rot 75:sc= 0.287 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.03) USER MOD Single : A 48 LYS NZ :NH3+ 133:sc= 1.3 (180deg=0.738) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -3.73! USER MOD Single : B 4 THR OG1 : rot 79:sc= -1.25! USER MOD Single : B 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0214) USER MOD Single : B 25 THR OG1 : rot 76:sc= 0.18 USER MOD Single : B 47 LYS NZ :NH3+ -154:sc= -0.903 (180deg=-2.66!) USER MOD Single : B 48 LYS NZ :NH3+ 137:sc= 1.28 (180deg=0.607) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 3 3.371 -8.173 9.425 1.00 0.50 N ATOM 43 CA ALA A 3 2.195 -7.421 9.844 1.00 0.32 C ATOM 44 C ALA A 3 2.506 -6.320 10.855 1.00 0.37 C ATOM 45 O ALA A 3 3.125 -6.549 11.891 1.00 0.72 O ATOM 46 CB ALA A 3 1.117 -8.353 10.386 1.00 0.44 C ATOM 0 HA ALA A 3 1.823 -6.923 8.949 1.00 0.32 H new ATOM 0 HB1 ALA A 3 0.250 -7.767 10.692 1.00 0.44 H new ATOM 0 HB2 ALA A 3 0.822 -9.059 9.610 1.00 0.44 H new ATOM 0 HB3 ALA A 3 1.507 -8.900 11.245 1.00 0.44 H new ATOM 52 N THR A 4 2.072 -5.117 10.521 1.00 0.23 N ATOM 53 CA THR A 4 2.128 -3.992 11.433 1.00 0.26 C ATOM 54 C THR A 4 0.721 -3.612 11.874 1.00 0.27 C ATOM 55 O THR A 4 0.452 -3.437 13.061 1.00 0.41 O ATOM 56 CB THR A 4 2.832 -2.794 10.782 1.00 0.26 C ATOM 57 OG1 THR A 4 2.354 -2.619 9.440 1.00 0.23 O ATOM 58 CG2 THR A 4 4.340 -2.995 10.756 1.00 0.27 C ATOM 0 H THR A 4 1.671 -4.895 9.610 1.00 0.23 H new ATOM 0 HA THR A 4 2.706 -4.284 12.310 1.00 0.26 H new ATOM 0 HB THR A 4 2.608 -1.907 11.374 1.00 0.26 H new ATOM 0 HG1 THR A 4 1.468 -2.201 9.460 1.00 0.23 H new ATOM 0 HG21 THR A 4 4.814 -2.131 10.290 1.00 0.27 H new ATOM 0 HG22 THR A 4 4.710 -3.106 11.775 1.00 0.27 H new ATOM 0 HG23 THR A 4 4.578 -3.892 10.184 1.00 0.27 H new ATOM 66 N GLY A 5 -0.167 -3.498 10.902 1.00 0.21 N ATOM 67 CA GLY A 5 -1.570 -3.312 11.200 1.00 0.24 C ATOM 68 C GLY A 5 -1.906 -1.891 11.584 1.00 0.25 C ATOM 69 O GLY A 5 -2.520 -1.647 12.623 1.00 0.32 O ATOM 0 H GLY A 5 0.059 -3.531 9.908 1.00 0.21 H new ATOM 0 HA2 GLY A 5 -2.162 -3.598 10.330 1.00 0.24 H new ATOM 0 HA3 GLY A 5 -1.855 -3.980 12.013 1.00 0.24 H new ATOM 73 N ILE A 6 -1.492 -0.952 10.753 1.00 0.21 N ATOM 74 CA ILE A 6 -1.881 0.434 10.930 1.00 0.22 C ATOM 75 C ILE A 6 -2.880 0.817 9.849 1.00 0.19 C ATOM 76 O ILE A 6 -2.529 0.939 8.679 1.00 0.17 O ATOM 77 CB ILE A 6 -0.659 1.401 10.931 1.00 0.23 C ATOM 78 CG1 ILE A 6 -1.105 2.855 10.724 1.00 0.26 C ATOM 79 CG2 ILE A 6 0.367 1.008 9.879 1.00 0.20 C ATOM 80 CD1 ILE A 6 -2.022 3.378 11.807 1.00 0.31 C ATOM 0 H ILE A 6 -0.887 -1.124 9.950 1.00 0.21 H new ATOM 0 HA ILE A 6 -2.347 0.532 11.910 1.00 0.22 H new ATOM 0 HB ILE A 6 -0.186 1.320 11.909 1.00 0.23 H new ATOM 0 HG12 ILE A 6 -0.221 3.491 10.672 1.00 0.26 H new ATOM 0 HG13 ILE A 6 -1.613 2.935 9.763 1.00 0.26 H new ATOM 0 HG21 ILE A 6 1.205 1.705 9.909 1.00 0.20 H new ATOM 0 HG22 ILE A 6 0.727 -0.001 10.081 1.00 0.20 H new ATOM 0 HG23 ILE A 6 -0.094 1.038 8.892 1.00 0.20 H new ATOM 0 HD11 ILE A 6 -2.292 4.411 11.588 1.00 0.31 H new ATOM 0 HD12 ILE A 6 -2.924 2.768 11.846 1.00 0.31 H new ATOM 0 HD13 ILE A 6 -1.512 3.333 12.769 1.00 0.31 H new ATOM 92 N VAL A 7 -4.134 0.962 10.241 1.00 0.24 N ATOM 93 CA VAL A 7 -5.177 1.327 9.303 1.00 0.22 C ATOM 94 C VAL A 7 -5.129 2.824 9.003 1.00 0.23 C ATOM 95 O VAL A 7 -5.027 3.652 9.911 1.00 0.28 O ATOM 96 CB VAL A 7 -6.579 0.923 9.804 1.00 0.23 C ATOM 97 CG1 VAL A 7 -7.663 1.578 8.960 1.00 0.24 C ATOM 98 CG2 VAL A 7 -6.724 -0.591 9.766 1.00 0.23 C ATOM 0 H VAL A 7 -4.453 0.832 11.201 1.00 0.24 H new ATOM 0 HA VAL A 7 -4.990 0.774 8.383 1.00 0.22 H new ATOM 0 HB VAL A 7 -6.694 1.267 10.832 1.00 0.23 H new ATOM 0 HG11 VAL A 7 -8.643 1.279 9.331 1.00 0.24 H new ATOM 0 HG12 VAL A 7 -7.567 2.662 9.021 1.00 0.24 H new ATOM 0 HG13 VAL A 7 -7.556 1.263 7.922 1.00 0.24 H new ATOM 0 HG21 VAL A 7 -7.716 -0.871 10.121 1.00 0.23 H new ATOM 0 HG22 VAL A 7 -6.592 -0.944 8.743 1.00 0.23 H new ATOM 0 HG23 VAL A 7 -5.968 -1.045 10.407 1.00 0.23 H new ATOM 108 N ARG A 8 -5.216 3.159 7.725 1.00 0.22 N ATOM 109 CA ARG A 8 -5.152 4.520 7.245 1.00 0.25 C ATOM 110 C ARG A 8 -6.343 4.733 6.321 1.00 0.23 C ATOM 111 O ARG A 8 -6.519 3.988 5.362 1.00 0.26 O ATOM 112 CB ARG A 8 -3.834 4.734 6.462 1.00 0.26 C ATOM 113 CG ARG A 8 -3.911 5.741 5.300 1.00 0.27 C ATOM 114 CD ARG A 8 -4.427 7.103 5.728 1.00 0.31 C ATOM 115 NE ARG A 8 -3.580 7.751 6.721 1.00 1.12 N ATOM 116 CZ ARG A 8 -3.310 9.052 6.714 1.00 1.16 C ATOM 117 NH1 ARG A 8 -3.804 9.830 5.752 1.00 0.64 N ATOM 118 NH2 ARG A 8 -2.553 9.573 7.669 1.00 1.99 N ATOM 0 H ARG A 8 -5.336 2.472 6.980 1.00 0.22 H new ATOM 0 HA ARG A 8 -5.178 5.226 8.075 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -3.067 5.069 7.160 1.00 0.26 H new ATOM 0 HB3 ARG A 8 -3.507 3.773 6.066 1.00 0.26 H new ATOM 0 HG2 ARG A 8 -2.920 5.856 4.860 1.00 0.27 H new ATOM 0 HG3 ARG A 8 -4.561 5.341 4.522 1.00 0.27 H new ATOM 0 HD2 ARG A 8 -4.506 7.746 4.852 1.00 0.31 H new ATOM 0 HD3 ARG A 8 -5.433 6.992 6.134 1.00 0.31 H new ATOM 0 HE ARG A 8 -3.174 7.176 7.459 1.00 1.12 H new ATOM 0 HH11 ARG A 8 -4.390 9.427 5.021 1.00 0.64 H new ATOM 0 HH12 ARG A 8 -3.597 10.829 5.747 1.00 0.64 H new ATOM 0 HH21 ARG A 8 -2.179 8.976 8.407 1.00 1.99 H new ATOM 0 HH22 ARG A 8 -2.344 10.571 7.666 1.00 1.99 H new ATOM 132 N ARG A 9 -7.169 5.712 6.615 1.00 0.19 N ATOM 133 CA ARG A 9 -8.244 6.075 5.710 1.00 0.18 C ATOM 134 C ARG A 9 -7.672 7.010 4.665 1.00 0.20 C ATOM 135 O ARG A 9 -7.448 8.178 4.967 1.00 0.22 O ATOM 136 CB ARG A 9 -9.366 6.765 6.472 1.00 0.19 C ATOM 137 CG ARG A 9 -10.721 6.689 5.805 1.00 0.28 C ATOM 138 CD ARG A 9 -11.598 5.663 6.503 1.00 0.62 C ATOM 139 NE ARG A 9 -11.581 5.832 7.959 1.00 1.45 N ATOM 140 CZ ARG A 9 -12.611 5.570 8.760 1.00 1.80 C ATOM 141 NH1 ARG A 9 -13.763 5.141 8.255 1.00 1.59 N ATOM 142 NH2 ARG A 9 -12.480 5.746 10.068 1.00 2.80 N ATOM 0 H ARG A 9 -7.121 6.270 7.467 1.00 0.19 H new ATOM 0 HA ARG A 9 -8.658 5.184 5.238 1.00 0.18 H new ATOM 0 HB2 ARG A 9 -9.439 6.321 7.465 1.00 0.19 H new ATOM 0 HB3 ARG A 9 -9.102 7.814 6.610 1.00 0.19 H new ATOM 0 HG2 ARG A 9 -11.202 7.667 5.832 1.00 0.28 H new ATOM 0 HG3 ARG A 9 -10.602 6.421 4.755 1.00 0.28 H new ATOM 0 HD2 ARG A 9 -12.621 5.752 6.139 1.00 0.62 H new ATOM 0 HD3 ARG A 9 -11.256 4.660 6.250 1.00 0.62 H new ATOM 0 HE ARG A 9 -10.721 6.174 8.388 1.00 1.45 H new ATOM 0 HH11 ARG A 9 -13.861 5.011 7.248 1.00 1.59 H new ATOM 0 HH12 ARG A 9 -14.549 4.942 8.874 1.00 1.59 H new ATOM 0 HH21 ARG A 9 -11.596 6.079 10.452 1.00 2.80 H new ATOM 0 HH22 ARG A 9 -13.264 5.548 10.690 1.00 2.80 H new ATOM 156 N ILE A 10 -7.435 6.460 3.462 1.00 0.21 N ATOM 157 CA ILE A 10 -6.790 7.159 2.326 1.00 0.24 C ATOM 158 C ILE A 10 -6.608 8.672 2.526 1.00 0.29 C ATOM 159 O ILE A 10 -5.689 9.095 3.242 1.00 0.33 O ATOM 160 CB ILE A 10 -7.538 6.884 0.986 1.00 0.22 C ATOM 161 CG1 ILE A 10 -9.047 6.627 1.202 1.00 0.21 C ATOM 162 CG2 ILE A 10 -6.901 5.699 0.295 1.00 0.21 C ATOM 163 CD1 ILE A 10 -9.718 7.611 2.124 1.00 0.22 C ATOM 0 H ILE A 10 -7.690 5.497 3.243 1.00 0.21 H new ATOM 0 HA ILE A 10 -5.787 6.736 2.279 1.00 0.24 H new ATOM 0 HB ILE A 10 -7.452 7.774 0.362 1.00 0.22 H new ATOM 0 HG12 ILE A 10 -9.550 6.652 0.235 1.00 0.21 H new ATOM 0 HG13 ILE A 10 -9.179 5.622 1.604 1.00 0.21 H new ATOM 0 HG21 ILE A 10 -7.420 5.502 -0.643 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -5.853 5.917 0.090 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -6.970 4.822 0.939 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -10.774 7.358 2.220 1.00 0.22 H new ATOM 0 HD12 ILE A 10 -9.245 7.571 3.105 1.00 0.22 H new ATOM 0 HD13 ILE A 10 -9.622 8.617 1.715 1.00 0.22 H new ATOM 175 N ASP A 11 -7.481 9.455 1.886 1.00 0.30 N ATOM 176 CA ASP A 11 -7.541 10.903 2.025 1.00 0.36 C ATOM 177 C ASP A 11 -8.343 11.445 0.871 1.00 0.36 C ATOM 178 O ASP A 11 -9.004 10.684 0.174 1.00 0.36 O ATOM 179 CB ASP A 11 -6.156 11.575 2.062 1.00 0.37 C ATOM 180 CG ASP A 11 -5.398 11.534 0.741 1.00 0.34 C ATOM 181 OD1 ASP A 11 -5.712 10.697 -0.121 1.00 1.12 O ATOM 182 OD2 ASP A 11 -4.483 12.364 0.560 1.00 1.13 O ATOM 0 H ASP A 11 -8.181 9.085 1.242 1.00 0.30 H new ATOM 0 HA ASP A 11 -8.008 11.130 2.983 1.00 0.36 H new ATOM 0 HB2 ASP A 11 -6.279 12.615 2.364 1.00 0.37 H new ATOM 0 HB3 ASP A 11 -5.551 11.090 2.828 1.00 0.37 H new ATOM 187 N ASP A 12 -8.257 12.741 0.649 1.00 0.41 N ATOM 188 CA ASP A 12 -9.040 13.394 -0.391 1.00 0.43 C ATOM 189 C ASP A 12 -8.392 13.219 -1.767 1.00 0.37 C ATOM 190 O ASP A 12 -8.764 13.892 -2.730 1.00 0.50 O ATOM 191 CB ASP A 12 -9.222 14.881 -0.060 1.00 0.54 C ATOM 192 CG ASP A 12 -7.910 15.635 0.038 1.00 1.38 C ATOM 193 OD1 ASP A 12 -7.051 15.252 0.862 1.00 1.98 O ATOM 194 OD2 ASP A 12 -7.741 16.637 -0.686 1.00 2.26 O ATOM 0 H ASP A 12 -7.650 13.369 1.176 1.00 0.41 H new ATOM 0 HA ASP A 12 -10.021 12.920 -0.427 1.00 0.43 H new ATOM 0 HB2 ASP A 12 -9.844 15.344 -0.826 1.00 0.54 H new ATOM 0 HB3 ASP A 12 -9.758 14.974 0.884 1.00 0.54 H new ATOM 199 N LEU A 13 -7.440 12.297 -1.862 1.00 0.32 N ATOM 200 CA LEU A 13 -6.800 11.992 -3.130 1.00 0.29 C ATOM 201 C LEU A 13 -6.808 10.481 -3.368 1.00 0.24 C ATOM 202 O LEU A 13 -7.309 10.003 -4.388 1.00 0.26 O ATOM 203 CB LEU A 13 -5.368 12.545 -3.141 1.00 0.32 C ATOM 204 CG LEU A 13 -4.682 12.633 -4.512 1.00 0.40 C ATOM 205 CD1 LEU A 13 -4.250 11.262 -5.010 1.00 0.36 C ATOM 206 CD2 LEU A 13 -5.602 13.301 -5.525 1.00 0.53 C ATOM 0 H LEU A 13 -7.096 11.749 -1.073 1.00 0.32 H new ATOM 0 HA LEU A 13 -7.355 12.468 -3.939 1.00 0.29 H new ATOM 0 HB2 LEU A 13 -5.383 13.542 -2.702 1.00 0.32 H new ATOM 0 HB3 LEU A 13 -4.755 11.920 -2.491 1.00 0.32 H new ATOM 0 HG LEU A 13 -3.785 13.241 -4.395 1.00 0.40 H new ATOM 0 HD11 LEU A 13 -3.768 11.363 -5.983 1.00 0.36 H new ATOM 0 HD12 LEU A 13 -3.548 10.822 -4.302 1.00 0.36 H new ATOM 0 HD13 LEU A 13 -5.124 10.617 -5.103 1.00 0.36 H new ATOM 0 HD21 LEU A 13 -5.101 13.356 -6.491 1.00 0.53 H new ATOM 0 HD22 LEU A 13 -6.518 12.719 -5.624 1.00 0.53 H new ATOM 0 HD23 LEU A 13 -5.847 14.308 -5.186 1.00 0.53 H new ATOM 218 N GLY A 14 -6.271 9.728 -2.417 1.00 0.21 N ATOM 219 CA GLY A 14 -6.213 8.292 -2.561 1.00 0.19 C ATOM 220 C GLY A 14 -4.874 7.706 -2.158 1.00 0.19 C ATOM 221 O GLY A 14 -4.636 6.520 -2.355 1.00 0.22 O ATOM 0 H GLY A 14 -5.875 10.089 -1.549 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -6.998 7.840 -1.954 1.00 0.19 H new ATOM 0 HA3 GLY A 14 -6.421 8.028 -3.598 1.00 0.19 H new ATOM 225 N ARG A 15 -3.988 8.517 -1.591 1.00 0.19 N ATOM 226 CA ARG A 15 -2.699 7.995 -1.151 1.00 0.20 C ATOM 227 C ARG A 15 -2.861 7.262 0.142 1.00 0.17 C ATOM 228 O ARG A 15 -3.786 7.520 0.909 1.00 0.17 O ATOM 229 CB ARG A 15 -1.643 9.073 -0.905 1.00 0.25 C ATOM 230 CG ARG A 15 -1.610 10.205 -1.894 1.00 0.25 C ATOM 231 CD ARG A 15 -2.153 11.456 -1.247 1.00 0.29 C ATOM 232 NE ARG A 15 -1.645 12.670 -1.892 1.00 0.40 N ATOM 233 CZ ARG A 15 -2.174 13.885 -1.744 1.00 0.54 C ATOM 234 NH1 ARG A 15 -3.232 14.074 -0.964 1.00 0.67 N ATOM 235 NH2 ARG A 15 -1.633 14.913 -2.382 1.00 0.69 N ATOM 0 H ARG A 15 -4.132 9.514 -1.428 1.00 0.19 H new ATOM 0 HA ARG A 15 -2.361 7.352 -1.964 1.00 0.20 H new ATOM 0 HB2 ARG A 15 -1.804 9.490 0.089 1.00 0.25 H new ATOM 0 HB3 ARG A 15 -0.663 8.597 -0.896 1.00 0.25 H new ATOM 0 HG2 ARG A 15 -0.589 10.374 -2.236 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.202 9.951 -2.773 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -3.242 11.447 -1.297 1.00 0.29 H new ATOM 0 HD3 ARG A 15 -1.882 11.465 -0.191 1.00 0.29 H new ATOM 0 HE ARG A 15 -0.829 12.579 -2.497 1.00 0.40 H new ATOM 0 HH11 ARG A 15 -3.649 13.285 -0.470 1.00 0.67 H new ATOM 0 HH12 ARG A 15 -3.628 15.008 -0.859 1.00 0.67 H new ATOM 0 HH21 ARG A 15 -0.819 14.771 -2.980 1.00 0.69 H new ATOM 0 HH22 ARG A 15 -2.031 15.846 -2.275 1.00 0.69 H new ATOM 249 N VAL A 16 -1.950 6.360 0.399 1.00 0.18 N ATOM 250 CA VAL A 16 -1.870 5.799 1.703 1.00 0.20 C ATOM 251 C VAL A 16 -0.583 6.269 2.319 1.00 0.19 C ATOM 252 O VAL A 16 0.506 6.036 1.799 1.00 0.21 O ATOM 253 CB VAL A 16 -2.042 4.262 1.741 1.00 0.29 C ATOM 254 CG1 VAL A 16 -2.883 3.777 0.571 1.00 1.11 C ATOM 255 CG2 VAL A 16 -0.728 3.506 1.827 1.00 1.24 C ATOM 0 H VAL A 16 -1.267 6.009 -0.272 1.00 0.18 H new ATOM 0 HA VAL A 16 -2.715 6.150 2.295 1.00 0.20 H new ATOM 0 HB VAL A 16 -2.573 4.040 2.667 1.00 0.29 H new ATOM 0 HG11 VAL A 16 -2.988 2.693 0.623 1.00 1.11 H new ATOM 0 HG12 VAL A 16 -3.869 4.239 0.615 1.00 1.11 H new ATOM 0 HG13 VAL A 16 -2.396 4.050 -0.365 1.00 1.11 H new ATOM 0 HG21 VAL A 16 -0.926 2.434 1.850 1.00 1.24 H new ATOM 0 HG22 VAL A 16 -0.114 3.743 0.958 1.00 1.24 H new ATOM 0 HG23 VAL A 16 -0.200 3.797 2.735 1.00 1.24 H new ATOM 265 N VAL A 17 -0.725 7.041 3.362 1.00 0.20 N ATOM 266 CA VAL A 17 0.418 7.657 3.970 1.00 0.21 C ATOM 267 C VAL A 17 1.208 6.611 4.728 1.00 0.21 C ATOM 268 O VAL A 17 0.834 6.232 5.833 1.00 0.26 O ATOM 269 CB VAL A 17 0.016 8.812 4.902 1.00 0.25 C ATOM 270 CG1 VAL A 17 1.248 9.497 5.470 1.00 0.28 C ATOM 271 CG2 VAL A 17 -0.878 9.804 4.160 1.00 0.27 C ATOM 0 H VAL A 17 -1.618 7.257 3.806 1.00 0.20 H new ATOM 0 HA VAL A 17 1.038 8.084 3.182 1.00 0.21 H new ATOM 0 HB VAL A 17 -0.552 8.405 5.739 1.00 0.25 H new ATOM 0 HG11 VAL A 17 0.941 10.311 6.127 1.00 0.28 H new ATOM 0 HG12 VAL A 17 1.837 8.776 6.037 1.00 0.28 H new ATOM 0 HG13 VAL A 17 1.851 9.896 4.654 1.00 0.28 H new ATOM 0 HG21 VAL A 17 -1.155 10.617 4.831 1.00 0.27 H new ATOM 0 HG22 VAL A 17 -0.339 10.209 3.303 1.00 0.27 H new ATOM 0 HG23 VAL A 17 -1.778 9.295 3.815 1.00 0.27 H new ATOM 281 N ILE A 18 2.257 6.110 4.092 1.00 0.20 N ATOM 282 CA ILE A 18 3.109 5.104 4.692 1.00 0.22 C ATOM 283 C ILE A 18 4.148 5.768 5.578 1.00 0.20 C ATOM 284 O ILE A 18 5.069 6.428 5.094 1.00 0.21 O ATOM 285 CB ILE A 18 3.814 4.229 3.622 1.00 0.26 C ATOM 286 CG1 ILE A 18 2.793 3.383 2.862 1.00 0.42 C ATOM 287 CG2 ILE A 18 4.872 3.335 4.265 1.00 0.25 C ATOM 288 CD1 ILE A 18 2.067 2.382 3.729 1.00 0.77 C ATOM 0 H ILE A 18 2.537 6.390 3.152 1.00 0.20 H new ATOM 0 HA ILE A 18 2.475 4.450 5.291 1.00 0.22 H new ATOM 0 HB ILE A 18 4.310 4.893 2.914 1.00 0.26 H new ATOM 0 HG12 ILE A 18 2.062 4.044 2.396 1.00 0.42 H new ATOM 0 HG13 ILE A 18 3.302 2.852 2.057 1.00 0.42 H new ATOM 0 HG21 ILE A 18 5.353 2.730 3.496 1.00 0.25 H new ATOM 0 HG22 ILE A 18 5.620 3.955 4.760 1.00 0.25 H new ATOM 0 HG23 ILE A 18 4.399 2.681 4.998 1.00 0.25 H new ATOM 0 HD11 ILE A 18 1.359 1.819 3.120 1.00 0.77 H new ATOM 0 HD12 ILE A 18 2.788 1.697 4.175 1.00 0.77 H new ATOM 0 HD13 ILE A 18 1.529 2.907 4.518 1.00 0.77 H new ATOM 300 N PRO A 19 3.976 5.644 6.898 1.00 0.23 N ATOM 301 CA PRO A 19 4.943 6.128 7.871 1.00 0.26 C ATOM 302 C PRO A 19 6.359 5.724 7.526 1.00 0.24 C ATOM 303 O PRO A 19 6.611 4.621 7.027 1.00 0.23 O ATOM 304 CB PRO A 19 4.492 5.447 9.153 1.00 0.29 C ATOM 305 CG PRO A 19 3.023 5.367 9.004 1.00 0.32 C ATOM 306 CD PRO A 19 2.800 5.044 7.555 1.00 0.29 C ATOM 0 HA PRO A 19 4.969 7.216 7.927 1.00 0.26 H new ATOM 0 HB2 PRO A 19 4.939 4.459 9.261 1.00 0.29 H new ATOM 0 HB3 PRO A 19 4.775 6.023 10.034 1.00 0.29 H new ATOM 0 HG2 PRO A 19 2.602 4.597 9.650 1.00 0.32 H new ATOM 0 HG3 PRO A 19 2.546 6.308 9.277 1.00 0.32 H new ATOM 0 HD2 PRO A 19 2.747 3.969 7.384 1.00 0.29 H new ATOM 0 HD3 PRO A 19 1.868 5.472 7.185 1.00 0.29 H new ATOM 314 N LYS A 20 7.286 6.614 7.811 1.00 0.27 N ATOM 315 CA LYS A 20 8.677 6.364 7.523 1.00 0.28 C ATOM 316 C LYS A 20 9.181 5.171 8.306 1.00 0.25 C ATOM 317 O LYS A 20 10.216 4.641 7.988 1.00 0.26 O ATOM 318 CB LYS A 20 9.556 7.579 7.815 1.00 0.35 C ATOM 319 CG LYS A 20 9.448 8.088 9.240 1.00 0.40 C ATOM 320 CD LYS A 20 8.178 8.882 9.454 1.00 0.55 C ATOM 321 CE LYS A 20 8.184 10.200 8.688 1.00 0.77 C ATOM 322 NZ LYS A 20 9.330 11.068 9.062 1.00 1.57 N ATOM 0 H LYS A 20 7.098 7.519 8.243 1.00 0.27 H new ATOM 0 HA LYS A 20 8.743 6.152 6.456 1.00 0.28 H new ATOM 0 HB2 LYS A 20 10.595 7.321 7.609 1.00 0.35 H new ATOM 0 HB3 LYS A 20 9.286 8.383 7.131 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.471 7.245 9.931 1.00 0.40 H new ATOM 0 HG3 LYS A 20 10.311 8.713 9.470 1.00 0.40 H new ATOM 0 HD2 LYS A 20 7.322 8.285 9.139 1.00 0.55 H new ATOM 0 HD3 LYS A 20 8.053 9.083 10.518 1.00 0.55 H new ATOM 0 HE2 LYS A 20 8.221 9.995 7.618 1.00 0.77 H new ATOM 0 HE3 LYS A 20 7.252 10.732 8.878 1.00 0.77 H new ATOM 0 HZ1 LYS A 20 9.152 12.039 8.734 1.00 1.57 H new ATOM 0 HZ2 LYS A 20 9.443 11.068 10.096 1.00 1.57 H new ATOM 0 HZ3 LYS A 20 10.199 10.706 8.619 1.00 1.57 H new ATOM 336 N GLU A 21 8.437 4.754 9.326 1.00 0.24 N ATOM 337 CA GLU A 21 8.824 3.615 10.153 1.00 0.24 C ATOM 338 C GLU A 21 8.859 2.305 9.359 1.00 0.22 C ATOM 339 O GLU A 21 9.604 1.385 9.704 1.00 0.23 O ATOM 340 CB GLU A 21 7.885 3.492 11.351 1.00 0.27 C ATOM 341 CG GLU A 21 6.431 3.293 10.973 1.00 0.35 C ATOM 342 CD GLU A 21 5.497 3.560 12.129 1.00 0.73 C ATOM 343 OE1 GLU A 21 5.080 4.723 12.307 1.00 1.30 O ATOM 344 OE2 GLU A 21 5.185 2.615 12.878 1.00 1.32 O ATOM 0 H GLU A 21 7.557 5.191 9.601 1.00 0.24 H new ATOM 0 HA GLU A 21 9.838 3.799 10.508 1.00 0.24 H new ATOM 0 HB2 GLU A 21 8.208 2.654 11.969 1.00 0.27 H new ATOM 0 HB3 GLU A 21 7.972 4.390 11.962 1.00 0.27 H new ATOM 0 HG2 GLU A 21 6.179 3.955 10.145 1.00 0.35 H new ATOM 0 HG3 GLU A 21 6.286 2.272 10.620 1.00 0.35 H new ATOM 351 N ILE A 22 8.112 2.232 8.260 1.00 0.23 N ATOM 352 CA ILE A 22 8.091 1.010 7.472 1.00 0.25 C ATOM 353 C ILE A 22 9.235 1.070 6.472 1.00 0.24 C ATOM 354 O ILE A 22 9.997 0.122 6.330 1.00 0.25 O ATOM 355 CB ILE A 22 6.749 0.789 6.735 1.00 0.29 C ATOM 356 CG1 ILE A 22 5.595 0.773 7.736 1.00 0.27 C ATOM 357 CG2 ILE A 22 6.780 -0.518 5.950 1.00 0.35 C ATOM 358 CD1 ILE A 22 4.941 2.118 7.942 1.00 0.25 C ATOM 0 H ILE A 22 7.527 2.988 7.904 1.00 0.23 H new ATOM 0 HA ILE A 22 8.207 0.165 8.151 1.00 0.25 H new ATOM 0 HB ILE A 22 6.599 1.611 6.035 1.00 0.29 H new ATOM 0 HG12 ILE A 22 4.842 0.063 7.395 1.00 0.27 H new ATOM 0 HG13 ILE A 22 5.965 0.410 8.695 1.00 0.27 H new ATOM 0 HG21 ILE A 22 5.828 -0.657 5.438 1.00 0.35 H new ATOM 0 HG22 ILE A 22 7.585 -0.483 5.216 1.00 0.35 H new ATOM 0 HG23 ILE A 22 6.949 -1.349 6.634 1.00 0.35 H new ATOM 0 HD11 ILE A 22 4.132 2.022 8.666 1.00 0.25 H new ATOM 0 HD12 ILE A 22 5.679 2.828 8.314 1.00 0.25 H new ATOM 0 HD13 ILE A 22 4.539 2.476 6.994 1.00 0.25 H new ATOM 370 N ARG A 23 9.371 2.229 5.828 1.00 0.23 N ATOM 371 CA ARG A 23 10.493 2.512 4.943 1.00 0.22 C ATOM 372 C ARG A 23 11.793 2.489 5.744 1.00 0.23 C ATOM 373 O ARG A 23 12.871 2.231 5.219 1.00 0.24 O ATOM 374 CB ARG A 23 10.264 3.869 4.267 1.00 0.24 C ATOM 375 CG ARG A 23 11.515 4.693 4.096 1.00 0.48 C ATOM 376 CD ARG A 23 11.518 5.883 5.032 1.00 0.39 C ATOM 377 NE ARG A 23 10.587 6.927 4.600 1.00 0.82 N ATOM 378 CZ ARG A 23 10.892 8.227 4.559 1.00 0.96 C ATOM 379 NH1 ARG A 23 12.104 8.644 4.908 1.00 1.34 N ATOM 380 NH2 ARG A 23 9.988 9.116 4.168 1.00 1.50 N ATOM 0 H ARG A 23 8.704 2.997 5.907 1.00 0.23 H new ATOM 0 HA ARG A 23 10.570 1.752 4.166 1.00 0.22 H new ATOM 0 HB2 ARG A 23 9.815 3.703 3.288 1.00 0.24 H new ATOM 0 HB3 ARG A 23 9.545 4.439 4.855 1.00 0.24 H new ATOM 0 HG2 ARG A 23 12.391 4.073 4.288 1.00 0.48 H new ATOM 0 HG3 ARG A 23 11.589 5.038 3.065 1.00 0.48 H new ATOM 0 HD2 ARG A 23 11.252 5.554 6.037 1.00 0.39 H new ATOM 0 HD3 ARG A 23 12.525 6.297 5.088 1.00 0.39 H new ATOM 0 HE ARG A 23 9.650 6.645 4.313 1.00 0.82 H new ATOM 0 HH11 ARG A 23 12.808 7.970 5.209 1.00 1.34 H new ATOM 0 HH12 ARG A 23 12.331 9.638 4.874 1.00 1.34 H new ATOM 0 HH21 ARG A 23 9.054 8.808 3.897 1.00 1.50 H new ATOM 0 HH22 ARG A 23 10.227 10.107 4.139 1.00 1.50 H new ATOM 394 N ARG A 24 11.664 2.784 7.019 1.00 0.24 N ATOM 395 CA ARG A 24 12.747 2.668 7.977 1.00 0.27 C ATOM 396 C ARG A 24 13.175 1.219 8.131 1.00 0.29 C ATOM 397 O ARG A 24 14.367 0.920 8.073 1.00 0.32 O ATOM 398 CB ARG A 24 12.310 3.258 9.316 1.00 0.31 C ATOM 399 CG ARG A 24 13.226 2.964 10.483 1.00 0.39 C ATOM 400 CD ARG A 24 12.816 3.777 11.700 1.00 0.45 C ATOM 401 NE ARG A 24 13.079 5.203 11.518 1.00 1.39 N ATOM 402 CZ ARG A 24 12.378 6.173 12.105 1.00 1.90 C ATOM 403 NH1 ARG A 24 11.342 5.877 12.884 1.00 1.52 N ATOM 404 NH2 ARG A 24 12.703 7.444 11.908 1.00 2.96 N ATOM 0 H ARG A 24 10.791 3.117 7.428 1.00 0.24 H new ATOM 0 HA ARG A 24 13.608 3.228 7.612 1.00 0.27 H new ATOM 0 HB2 ARG A 24 12.224 4.339 9.207 1.00 0.31 H new ATOM 0 HB3 ARG A 24 11.315 2.881 9.553 1.00 0.31 H new ATOM 0 HG2 ARG A 24 13.192 1.901 10.720 1.00 0.39 H new ATOM 0 HG3 ARG A 24 14.256 3.198 10.212 1.00 0.39 H new ATOM 0 HD2 ARG A 24 11.755 3.626 11.896 1.00 0.45 H new ATOM 0 HD3 ARG A 24 13.356 3.417 12.576 1.00 0.45 H new ATOM 0 HE ARG A 24 13.847 5.473 10.903 1.00 1.39 H new ATOM 0 HH11 ARG A 24 11.080 4.903 13.035 1.00 1.52 H new ATOM 0 HH12 ARG A 24 10.810 6.624 13.330 1.00 1.52 H new ATOM 0 HH21 ARG A 24 13.491 7.681 11.306 1.00 2.96 H new ATOM 0 HH22 ARG A 24 12.165 8.184 12.359 1.00 2.96 H new ATOM 418 N THR A 25 12.226 0.305 8.337 1.00 0.29 N ATOM 419 CA THR A 25 12.540 -1.117 8.303 1.00 0.31 C ATOM 420 C THR A 25 13.022 -1.534 6.910 1.00 0.30 C ATOM 421 O THR A 25 13.779 -2.493 6.760 1.00 0.33 O ATOM 422 CB THR A 25 11.300 -1.943 8.698 1.00 0.34 C ATOM 423 OG1 THR A 25 10.733 -1.408 9.905 1.00 0.36 O ATOM 424 CG2 THR A 25 11.657 -3.406 8.913 1.00 0.40 C ATOM 0 H THR A 25 11.248 0.523 8.526 1.00 0.29 H new ATOM 0 HA THR A 25 13.341 -1.308 9.018 1.00 0.31 H new ATOM 0 HB THR A 25 10.577 -1.883 7.885 1.00 0.34 H new ATOM 0 HG1 THR A 25 10.258 -0.575 9.702 1.00 0.36 H new ATOM 0 HG21 THR A 25 10.762 -3.962 9.190 1.00 0.40 H new ATOM 0 HG22 THR A 25 12.070 -3.819 7.993 1.00 0.40 H new ATOM 0 HG23 THR A 25 12.396 -3.487 9.710 1.00 0.40 H new ATOM 432 N LEU A 26 12.570 -0.807 5.895 1.00 0.27 N ATOM 433 CA LEU A 26 13.058 -0.982 4.530 1.00 0.28 C ATOM 434 C LEU A 26 14.505 -0.491 4.405 1.00 0.31 C ATOM 435 O LEU A 26 15.234 -0.918 3.515 1.00 0.36 O ATOM 436 CB LEU A 26 12.163 -0.211 3.546 1.00 0.25 C ATOM 437 CG LEU A 26 11.090 -1.032 2.821 1.00 0.26 C ATOM 438 CD1 LEU A 26 11.721 -2.218 2.123 1.00 0.32 C ATOM 439 CD2 LEU A 26 10.004 -1.496 3.778 1.00 0.26 C ATOM 0 H LEU A 26 11.858 -0.083 5.993 1.00 0.27 H new ATOM 0 HA LEU A 26 13.027 -2.045 4.289 1.00 0.28 H new ATOM 0 HB2 LEU A 26 11.669 0.594 4.091 1.00 0.25 H new ATOM 0 HB3 LEU A 26 12.801 0.257 2.796 1.00 0.25 H new ATOM 0 HG LEU A 26 10.622 -0.389 2.075 1.00 0.26 H new ATOM 0 HD11 LEU A 26 10.949 -2.793 1.612 1.00 0.32 H new ATOM 0 HD12 LEU A 26 12.452 -1.865 1.395 1.00 0.32 H new ATOM 0 HD13 LEU A 26 12.218 -2.851 2.858 1.00 0.32 H new ATOM 0 HD21 LEU A 26 9.260 -2.075 3.231 1.00 0.26 H new ATOM 0 HD22 LEU A 26 10.446 -2.117 4.557 1.00 0.26 H new ATOM 0 HD23 LEU A 26 9.526 -0.629 4.234 1.00 0.26 H new ATOM 451 N ARG A 27 14.905 0.389 5.332 1.00 0.32 N ATOM 452 CA ARG A 27 16.208 1.060 5.304 1.00 0.40 C ATOM 453 C ARG A 27 16.309 2.025 4.128 1.00 0.39 C ATOM 454 O ARG A 27 17.404 2.375 3.687 1.00 0.46 O ATOM 455 CB ARG A 27 17.353 0.053 5.255 1.00 0.51 C ATOM 456 CG ARG A 27 17.707 -0.563 6.599 1.00 0.78 C ATOM 457 CD ARG A 27 16.760 -1.690 6.970 1.00 0.90 C ATOM 458 NE ARG A 27 16.804 -2.782 5.995 1.00 1.76 N ATOM 459 CZ ARG A 27 16.594 -4.062 6.297 1.00 2.28 C ATOM 460 NH1 ARG A 27 16.290 -4.418 7.537 1.00 2.36 N ATOM 461 NH2 ARG A 27 16.676 -4.986 5.349 1.00 3.20 N ATOM 0 H ARG A 27 14.327 0.656 6.129 1.00 0.32 H new ATOM 0 HA ARG A 27 16.293 1.631 6.228 1.00 0.40 H new ATOM 0 HB2 ARG A 27 17.089 -0.745 4.562 1.00 0.51 H new ATOM 0 HB3 ARG A 27 18.237 0.546 4.851 1.00 0.51 H new ATOM 0 HG2 ARG A 27 18.728 -0.942 6.567 1.00 0.78 H new ATOM 0 HG3 ARG A 27 17.676 0.206 7.371 1.00 0.78 H new ATOM 0 HD2 ARG A 27 17.020 -2.073 7.957 1.00 0.90 H new ATOM 0 HD3 ARG A 27 15.743 -1.303 7.036 1.00 0.90 H new ATOM 0 HE ARG A 27 17.008 -2.547 5.024 1.00 1.76 H new ATOM 0 HH11 ARG A 27 16.216 -3.710 8.267 1.00 2.36 H new ATOM 0 HH12 ARG A 27 16.130 -5.400 7.761 1.00 2.36 H new ATOM 0 HH21 ARG A 27 16.899 -4.716 4.391 1.00 3.20 H new ATOM 0 HH22 ARG A 27 16.516 -5.967 5.578 1.00 3.20 H new ATOM 475 N ILE A 28 15.162 2.478 3.649 1.00 0.33 N ATOM 476 CA ILE A 28 15.105 3.350 2.486 1.00 0.33 C ATOM 477 C ILE A 28 14.606 4.740 2.898 1.00 0.31 C ATOM 478 O ILE A 28 14.675 5.093 4.075 1.00 0.34 O ATOM 479 CB ILE A 28 14.226 2.709 1.385 1.00 0.36 C ATOM 480 CG1 ILE A 28 14.455 1.193 1.385 1.00 0.44 C ATOM 481 CG2 ILE A 28 14.597 3.261 0.011 1.00 0.38 C ATOM 482 CD1 ILE A 28 13.697 0.443 0.316 1.00 0.48 C ATOM 0 H ILE A 28 14.251 2.255 4.051 1.00 0.33 H new ATOM 0 HA ILE A 28 16.104 3.475 2.069 1.00 0.33 H new ATOM 0 HB ILE A 28 13.181 2.941 1.590 1.00 0.36 H new ATOM 0 HG12 ILE A 28 15.520 1.000 1.260 1.00 0.44 H new ATOM 0 HG13 ILE A 28 14.171 0.796 2.360 1.00 0.44 H new ATOM 0 HG21 ILE A 28 13.968 2.798 -0.749 1.00 0.38 H new ATOM 0 HG22 ILE A 28 14.445 4.340 -0.001 1.00 0.38 H new ATOM 0 HG23 ILE A 28 15.643 3.039 -0.200 1.00 0.38 H new ATOM 0 HD11 ILE A 28 13.919 -0.621 0.391 1.00 0.48 H new ATOM 0 HD12 ILE A 28 12.627 0.601 0.450 1.00 0.48 H new ATOM 0 HD13 ILE A 28 13.997 0.808 -0.666 1.00 0.48 H new ATOM 494 N ARG A 29 14.104 5.524 1.950 1.00 0.32 N ATOM 495 CA ARG A 29 13.819 6.941 2.194 1.00 0.32 C ATOM 496 C ARG A 29 12.810 7.494 1.183 1.00 0.30 C ATOM 497 O ARG A 29 12.073 6.732 0.563 1.00 0.28 O ATOM 498 CB ARG A 29 15.133 7.749 2.149 1.00 0.40 C ATOM 499 CG ARG A 29 15.681 8.034 0.747 1.00 0.58 C ATOM 500 CD ARG A 29 15.735 6.790 -0.131 1.00 0.64 C ATOM 501 NE ARG A 29 16.357 7.060 -1.427 1.00 0.92 N ATOM 502 CZ ARG A 29 16.703 6.118 -2.310 1.00 1.58 C ATOM 503 NH1 ARG A 29 16.558 4.830 -2.019 1.00 2.40 N ATOM 504 NH2 ARG A 29 17.219 6.474 -3.479 1.00 1.98 N ATOM 0 H ARG A 29 13.885 5.207 1.006 1.00 0.32 H new ATOM 0 HA ARG A 29 13.371 7.036 3.183 1.00 0.32 H new ATOM 0 HB2 ARG A 29 14.973 8.699 2.658 1.00 0.40 H new ATOM 0 HB3 ARG A 29 15.892 7.208 2.714 1.00 0.40 H new ATOM 0 HG2 ARG A 29 15.058 8.787 0.264 1.00 0.58 H new ATOM 0 HG3 ARG A 29 16.682 8.456 0.832 1.00 0.58 H new ATOM 0 HD2 ARG A 29 16.293 6.008 0.383 1.00 0.64 H new ATOM 0 HD3 ARG A 29 14.725 6.411 -0.286 1.00 0.64 H new ATOM 0 HE ARG A 29 16.539 8.033 -1.674 1.00 0.92 H new ATOM 0 HH11 ARG A 29 16.179 4.551 -1.114 1.00 2.40 H new ATOM 0 HH12 ARG A 29 16.825 4.120 -2.701 1.00 2.40 H new ATOM 0 HH21 ARG A 29 17.350 7.461 -3.699 1.00 1.98 H new ATOM 0 HH22 ARG A 29 17.485 5.760 -4.157 1.00 1.98 H new ATOM 518 N GLU A 30 12.791 8.822 1.026 1.00 0.34 N ATOM 519 CA GLU A 30 11.913 9.516 0.074 1.00 0.36 C ATOM 520 C GLU A 30 12.316 9.280 -1.376 1.00 0.35 C ATOM 521 O GLU A 30 12.143 10.136 -2.242 1.00 0.44 O ATOM 522 CB GLU A 30 11.912 11.008 0.362 1.00 0.45 C ATOM 523 CG GLU A 30 11.172 11.343 1.628 1.00 0.50 C ATOM 524 CD GLU A 30 12.017 11.183 2.878 1.00 0.62 C ATOM 525 OE1 GLU A 30 13.200 10.803 2.767 1.00 1.23 O ATOM 526 OE2 GLU A 30 11.492 11.426 3.985 1.00 1.08 O ATOM 0 H GLU A 30 13.389 9.452 1.560 1.00 0.34 H new ATOM 0 HA GLU A 30 10.913 9.104 0.207 1.00 0.36 H new ATOM 0 HB2 GLU A 30 12.940 11.362 0.440 1.00 0.45 H new ATOM 0 HB3 GLU A 30 11.455 11.537 -0.474 1.00 0.45 H new ATOM 0 HG2 GLU A 30 10.813 12.371 1.570 1.00 0.50 H new ATOM 0 HG3 GLU A 30 10.294 10.703 1.707 1.00 0.50 H new ATOM 533 N GLY A 31 12.839 8.099 -1.622 1.00 0.30 N ATOM 534 CA GLY A 31 13.138 7.665 -2.962 1.00 0.30 C ATOM 535 C GLY A 31 12.980 6.170 -3.075 1.00 0.30 C ATOM 536 O GLY A 31 13.576 5.529 -3.936 1.00 0.36 O ATOM 0 H GLY A 31 13.067 7.417 -0.899 1.00 0.30 H new ATOM 0 HA2 GLY A 31 12.474 8.162 -3.669 1.00 0.30 H new ATOM 0 HA3 GLY A 31 14.156 7.951 -3.226 1.00 0.30 H new ATOM 540 N ASP A 32 12.167 5.628 -2.179 1.00 0.28 N ATOM 541 CA ASP A 32 11.822 4.216 -2.192 1.00 0.31 C ATOM 542 C ASP A 32 10.693 3.974 -3.172 1.00 0.28 C ATOM 543 O ASP A 32 9.635 4.592 -3.090 1.00 0.31 O ATOM 544 CB ASP A 32 11.403 3.756 -0.794 1.00 0.38 C ATOM 545 CG ASP A 32 10.921 2.319 -0.761 1.00 0.43 C ATOM 546 OD1 ASP A 32 11.536 1.471 -1.439 1.00 1.26 O ATOM 547 OD2 ASP A 32 9.954 2.041 -0.024 1.00 1.07 O ATOM 0 H ASP A 32 11.729 6.155 -1.424 1.00 0.28 H new ATOM 0 HA ASP A 32 12.697 3.644 -2.500 1.00 0.31 H new ATOM 0 HB2 ASP A 32 12.247 3.866 -0.114 1.00 0.38 H new ATOM 0 HB3 ASP A 32 10.610 4.407 -0.426 1.00 0.38 H new ATOM 552 N PRO A 33 10.917 3.109 -4.140 1.00 0.23 N ATOM 553 CA PRO A 33 9.902 2.726 -5.077 1.00 0.26 C ATOM 554 C PRO A 33 9.070 1.597 -4.523 1.00 0.47 C ATOM 555 O PRO A 33 9.545 0.810 -3.728 1.00 1.30 O ATOM 556 CB PRO A 33 10.684 2.276 -6.308 1.00 0.22 C ATOM 557 CG PRO A 33 12.122 2.177 -5.878 1.00 0.14 C ATOM 558 CD PRO A 33 12.167 2.411 -4.388 1.00 0.23 C ATOM 0 HA PRO A 33 9.206 3.534 -5.300 1.00 0.26 H new ATOM 0 HB2 PRO A 33 10.319 1.315 -6.671 1.00 0.22 H new ATOM 0 HB3 PRO A 33 10.570 2.990 -7.124 1.00 0.22 H new ATOM 0 HG2 PRO A 33 12.529 1.196 -6.125 1.00 0.14 H new ATOM 0 HG3 PRO A 33 12.730 2.915 -6.401 1.00 0.14 H new ATOM 0 HD2 PRO A 33 12.226 1.475 -3.832 1.00 0.23 H new ATOM 0 HD3 PRO A 33 13.030 3.010 -4.097 1.00 0.23 H new ATOM 566 N LEU A 34 7.820 1.542 -4.896 1.00 0.29 N ATOM 567 CA LEU A 34 6.993 0.439 -4.501 1.00 0.21 C ATOM 568 C LEU A 34 6.106 0.032 -5.648 1.00 0.22 C ATOM 569 O LEU A 34 5.706 0.846 -6.451 1.00 0.27 O ATOM 570 CB LEU A 34 6.147 0.786 -3.274 1.00 0.23 C ATOM 571 CG LEU A 34 6.870 1.588 -2.199 1.00 0.31 C ATOM 572 CD1 LEU A 34 6.368 3.022 -2.182 1.00 0.38 C ATOM 573 CD2 LEU A 34 6.705 0.933 -0.835 1.00 0.38 C ATOM 0 H LEU A 34 7.355 2.245 -5.470 1.00 0.29 H new ATOM 0 HA LEU A 34 7.642 -0.394 -4.231 1.00 0.21 H new ATOM 0 HB2 LEU A 34 5.274 1.350 -3.601 1.00 0.23 H new ATOM 0 HB3 LEU A 34 5.780 -0.140 -2.831 1.00 0.23 H new ATOM 0 HG LEU A 34 7.934 1.603 -2.434 1.00 0.31 H new ATOM 0 HD11 LEU A 34 6.894 3.582 -1.409 1.00 0.38 H new ATOM 0 HD12 LEU A 34 6.551 3.483 -3.153 1.00 0.38 H new ATOM 0 HD13 LEU A 34 5.298 3.031 -1.972 1.00 0.38 H new ATOM 0 HD21 LEU A 34 7.229 1.522 -0.083 1.00 0.38 H new ATOM 0 HD22 LEU A 34 5.646 0.881 -0.582 1.00 0.38 H new ATOM 0 HD23 LEU A 34 7.122 -0.074 -0.862 1.00 0.38 H new ATOM 585 N GLU A 35 5.776 -1.223 -5.656 1.00 0.20 N ATOM 586 CA GLU A 35 4.956 -1.793 -6.689 1.00 0.20 C ATOM 587 C GLU A 35 3.593 -1.969 -6.117 1.00 0.16 C ATOM 588 O GLU A 35 3.422 -2.779 -5.225 1.00 0.16 O ATOM 589 CB GLU A 35 5.490 -3.138 -7.185 1.00 0.22 C ATOM 590 CG GLU A 35 4.622 -3.751 -8.278 1.00 0.23 C ATOM 591 CD GLU A 35 5.182 -5.047 -8.815 1.00 0.34 C ATOM 592 OE1 GLU A 35 6.104 -4.999 -9.650 1.00 0.95 O ATOM 593 OE2 GLU A 35 4.690 -6.123 -8.414 1.00 1.12 O ATOM 0 H GLU A 35 6.069 -1.889 -4.941 1.00 0.20 H new ATOM 0 HA GLU A 35 4.951 -1.127 -7.552 1.00 0.20 H new ATOM 0 HB2 GLU A 35 6.503 -3.004 -7.564 1.00 0.22 H new ATOM 0 HB3 GLU A 35 5.553 -3.831 -6.346 1.00 0.22 H new ATOM 0 HG2 GLU A 35 3.622 -3.929 -7.884 1.00 0.23 H new ATOM 0 HG3 GLU A 35 4.520 -3.038 -9.096 1.00 0.23 H new ATOM 600 N ILE A 36 2.652 -1.180 -6.587 1.00 0.14 N ATOM 601 CA ILE A 36 1.297 -1.239 -6.105 1.00 0.11 C ATOM 602 C ILE A 36 0.554 -2.311 -6.872 1.00 0.10 C ATOM 603 O ILE A 36 0.287 -2.163 -8.069 1.00 0.14 O ATOM 604 CB ILE A 36 0.579 0.129 -6.280 1.00 0.12 C ATOM 605 CG1 ILE A 36 1.086 1.169 -5.273 1.00 0.15 C ATOM 606 CG2 ILE A 36 -0.931 -0.024 -6.158 1.00 0.14 C ATOM 607 CD1 ILE A 36 2.509 1.634 -5.500 1.00 0.39 C ATOM 0 H ILE A 36 2.808 -0.481 -7.313 1.00 0.14 H new ATOM 0 HA ILE A 36 1.310 -1.476 -5.041 1.00 0.11 H new ATOM 0 HB ILE A 36 0.814 0.486 -7.283 1.00 0.12 H new ATOM 0 HG12 ILE A 36 0.426 2.036 -5.305 1.00 0.15 H new ATOM 0 HG13 ILE A 36 1.012 0.749 -4.270 1.00 0.15 H new ATOM 0 HG21 ILE A 36 -1.407 0.949 -6.285 1.00 0.14 H new ATOM 0 HG22 ILE A 36 -1.291 -0.707 -6.928 1.00 0.14 H new ATOM 0 HG23 ILE A 36 -1.178 -0.423 -5.174 1.00 0.14 H new ATOM 0 HD11 ILE A 36 2.778 2.367 -4.740 1.00 0.39 H new ATOM 0 HD12 ILE A 36 3.185 0.781 -5.437 1.00 0.39 H new ATOM 0 HD13 ILE A 36 2.590 2.089 -6.487 1.00 0.39 H new ATOM 619 N PHE A 37 0.280 -3.408 -6.204 1.00 0.09 N ATOM 620 CA PHE A 37 -0.473 -4.480 -6.806 1.00 0.10 C ATOM 621 C PHE A 37 -1.267 -5.204 -5.738 1.00 0.09 C ATOM 622 O PHE A 37 -0.735 -5.597 -4.713 1.00 0.09 O ATOM 623 CB PHE A 37 0.460 -5.421 -7.590 1.00 0.12 C ATOM 624 CG PHE A 37 1.125 -6.506 -6.785 1.00 0.16 C ATOM 625 CD1 PHE A 37 2.334 -6.279 -6.153 1.00 1.10 C ATOM 626 CD2 PHE A 37 0.544 -7.762 -6.676 1.00 1.12 C ATOM 627 CE1 PHE A 37 2.949 -7.280 -5.425 1.00 1.15 C ATOM 628 CE2 PHE A 37 1.154 -8.767 -5.952 1.00 1.12 C ATOM 629 CZ PHE A 37 2.358 -8.525 -5.324 1.00 0.35 C ATOM 0 H PHE A 37 0.569 -3.580 -5.241 1.00 0.09 H new ATOM 0 HA PHE A 37 -1.183 -4.074 -7.527 1.00 0.10 H new ATOM 0 HB2 PHE A 37 -0.115 -5.889 -8.389 1.00 0.12 H new ATOM 0 HB3 PHE A 37 1.236 -4.820 -8.065 1.00 0.12 H new ATOM 0 HD1 PHE A 37 2.803 -5.309 -6.229 1.00 1.10 H new ATOM 0 HD2 PHE A 37 -0.399 -7.956 -7.165 1.00 1.12 H new ATOM 0 HE1 PHE A 37 3.892 -7.089 -4.935 1.00 1.15 H new ATOM 0 HE2 PHE A 37 0.690 -9.739 -5.878 1.00 1.12 H new ATOM 0 HZ PHE A 37 2.838 -9.307 -4.754 1.00 0.35 H new ATOM 639 N VAL A 38 -2.551 -5.337 -5.969 1.00 0.09 N ATOM 640 CA VAL A 38 -3.431 -5.980 -5.010 1.00 0.09 C ATOM 641 C VAL A 38 -3.315 -7.488 -5.129 1.00 0.11 C ATOM 642 O VAL A 38 -3.150 -8.016 -6.221 1.00 0.17 O ATOM 643 CB VAL A 38 -4.898 -5.515 -5.218 1.00 0.11 C ATOM 644 CG1 VAL A 38 -5.276 -5.557 -6.694 1.00 0.16 C ATOM 645 CG2 VAL A 38 -5.878 -6.350 -4.402 1.00 0.11 C ATOM 0 H VAL A 38 -3.016 -5.008 -6.815 1.00 0.09 H new ATOM 0 HA VAL A 38 -3.129 -5.690 -4.004 1.00 0.09 H new ATOM 0 HB VAL A 38 -4.961 -4.485 -4.866 1.00 0.11 H new ATOM 0 HG11 VAL A 38 -6.308 -5.227 -6.815 1.00 0.16 H new ATOM 0 HG12 VAL A 38 -4.616 -4.898 -7.258 1.00 0.16 H new ATOM 0 HG13 VAL A 38 -5.175 -6.576 -7.067 1.00 0.16 H new ATOM 0 HG21 VAL A 38 -6.893 -5.993 -4.576 1.00 0.11 H new ATOM 0 HG22 VAL A 38 -5.805 -7.395 -4.703 1.00 0.11 H new ATOM 0 HG23 VAL A 38 -5.638 -6.260 -3.343 1.00 0.11 H new ATOM 655 N ASP A 39 -3.367 -8.164 -3.991 1.00 0.09 N ATOM 656 CA ASP A 39 -3.171 -9.608 -3.949 1.00 0.12 C ATOM 657 C ASP A 39 -4.470 -10.357 -4.169 1.00 0.16 C ATOM 658 O ASP A 39 -4.519 -11.345 -4.900 1.00 0.18 O ATOM 659 CB ASP A 39 -2.600 -10.042 -2.602 1.00 0.19 C ATOM 660 CG ASP A 39 -2.215 -11.513 -2.604 1.00 0.23 C ATOM 661 OD1 ASP A 39 -1.201 -11.866 -3.231 1.00 1.04 O ATOM 662 OD2 ASP A 39 -2.944 -12.324 -1.989 1.00 1.11 O ATOM 0 H ASP A 39 -3.544 -7.736 -3.082 1.00 0.09 H new ATOM 0 HA ASP A 39 -2.473 -9.848 -4.751 1.00 0.12 H new ATOM 0 HB2 ASP A 39 -1.725 -9.437 -2.365 1.00 0.19 H new ATOM 0 HB3 ASP A 39 -3.335 -9.859 -1.819 1.00 0.19 H new ATOM 667 N ARG A 40 -5.524 -9.884 -3.531 1.00 0.32 N ATOM 668 CA ARG A 40 -6.744 -10.658 -3.445 1.00 0.43 C ATOM 669 C ARG A 40 -7.997 -9.811 -3.647 1.00 0.43 C ATOM 670 O ARG A 40 -8.453 -9.642 -4.777 1.00 0.49 O ATOM 671 CB ARG A 40 -6.766 -11.410 -2.113 1.00 0.53 C ATOM 672 CG ARG A 40 -5.906 -10.757 -1.048 1.00 0.53 C ATOM 673 CD ARG A 40 -5.266 -11.786 -0.137 1.00 0.72 C ATOM 674 NE ARG A 40 -4.671 -11.161 1.040 1.00 1.09 N ATOM 675 CZ ARG A 40 -3.391 -11.262 1.398 1.00 1.66 C ATOM 676 NH1 ARG A 40 -2.526 -11.915 0.633 1.00 2.22 N ATOM 677 NH2 ARG A 40 -2.972 -10.660 2.508 1.00 2.29 N ATOM 0 H ARG A 40 -5.559 -8.975 -3.069 1.00 0.32 H new ATOM 0 HA ARG A 40 -6.753 -11.379 -4.263 1.00 0.43 H new ATOM 0 HB2 ARG A 40 -7.793 -11.472 -1.754 1.00 0.53 H new ATOM 0 HB3 ARG A 40 -6.422 -12.432 -2.273 1.00 0.53 H new ATOM 0 HG2 ARG A 40 -5.129 -10.159 -1.524 1.00 0.53 H new ATOM 0 HG3 ARG A 40 -6.516 -10.075 -0.455 1.00 0.53 H new ATOM 0 HD2 ARG A 40 -6.015 -12.513 0.175 1.00 0.72 H new ATOM 0 HD3 ARG A 40 -4.500 -12.334 -0.686 1.00 0.72 H new ATOM 0 HE ARG A 40 -5.283 -10.603 1.636 1.00 1.09 H new ATOM 0 HH11 ARG A 40 -2.838 -12.345 -0.238 1.00 2.22 H new ATOM 0 HH12 ARG A 40 -1.548 -11.987 0.915 1.00 2.22 H new ATOM 0 HH21 ARG A 40 -3.629 -10.126 3.078 1.00 2.29 H new ATOM 0 HH22 ARG A 40 -1.994 -10.732 2.789 1.00 2.29 H new ATOM 691 N ASP A 41 -8.547 -9.268 -2.568 1.00 0.47 N ATOM 692 CA ASP A 41 -9.777 -8.482 -2.667 1.00 0.52 C ATOM 693 C ASP A 41 -9.472 -6.996 -2.639 1.00 0.43 C ATOM 694 O ASP A 41 -9.570 -6.310 -3.654 1.00 0.50 O ATOM 695 CB ASP A 41 -10.755 -8.834 -1.539 1.00 0.57 C ATOM 696 CG ASP A 41 -12.019 -7.988 -1.570 1.00 0.96 C ATOM 697 OD1 ASP A 41 -12.853 -8.179 -2.482 1.00 1.53 O ATOM 698 OD2 ASP A 41 -12.192 -7.136 -0.669 1.00 1.34 O ATOM 0 H ASP A 41 -8.169 -9.354 -1.624 1.00 0.47 H new ATOM 0 HA ASP A 41 -10.246 -8.729 -3.620 1.00 0.52 H new ATOM 0 HB2 ASP A 41 -11.026 -9.887 -1.615 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -10.258 -8.701 -0.578 1.00 0.57 H new ATOM 703 N GLY A 42 -9.088 -6.506 -1.475 1.00 0.32 N ATOM 704 CA GLY A 42 -8.797 -5.098 -1.333 1.00 0.26 C ATOM 705 C GLY A 42 -7.503 -4.857 -0.598 1.00 0.18 C ATOM 706 O GLY A 42 -7.318 -3.813 0.017 1.00 0.18 O ATOM 0 H GLY A 42 -8.972 -7.058 -0.625 1.00 0.32 H new ATOM 0 HA2 GLY A 42 -8.744 -4.638 -2.320 1.00 0.26 H new ATOM 0 HA3 GLY A 42 -9.613 -4.612 -0.798 1.00 0.26 H new ATOM 710 N GLU A 43 -6.620 -5.842 -0.636 1.00 0.15 N ATOM 711 CA GLU A 43 -5.305 -5.695 -0.039 1.00 0.12 C ATOM 712 C GLU A 43 -4.310 -5.336 -1.118 1.00 0.08 C ATOM 713 O GLU A 43 -4.014 -6.152 -1.989 1.00 0.09 O ATOM 714 CB GLU A 43 -4.865 -6.978 0.666 1.00 0.14 C ATOM 715 CG GLU A 43 -6.030 -7.837 1.121 1.00 0.53 C ATOM 716 CD GLU A 43 -5.719 -8.676 2.345 1.00 1.00 C ATOM 717 OE1 GLU A 43 -4.859 -8.279 3.148 1.00 1.97 O ATOM 718 OE2 GLU A 43 -6.326 -9.755 2.493 1.00 1.30 O ATOM 0 H GLU A 43 -6.790 -6.748 -1.072 1.00 0.15 H new ATOM 0 HA GLU A 43 -5.351 -4.903 0.709 1.00 0.12 H new ATOM 0 HB2 GLU A 43 -4.235 -7.558 -0.008 1.00 0.14 H new ATOM 0 HB3 GLU A 43 -4.253 -6.719 1.530 1.00 0.14 H new ATOM 0 HG2 GLU A 43 -6.883 -7.194 1.338 1.00 0.53 H new ATOM 0 HG3 GLU A 43 -6.327 -8.495 0.305 1.00 0.53 H new ATOM 725 N VAL A 44 -3.836 -4.109 -1.082 1.00 0.07 N ATOM 726 CA VAL A 44 -2.851 -3.649 -2.035 1.00 0.07 C ATOM 727 C VAL A 44 -1.471 -3.916 -1.498 1.00 0.07 C ATOM 728 O VAL A 44 -1.179 -3.636 -0.347 1.00 0.08 O ATOM 729 CB VAL A 44 -2.952 -2.147 -2.330 1.00 0.09 C ATOM 730 CG1 VAL A 44 -2.418 -1.855 -3.723 1.00 0.14 C ATOM 731 CG2 VAL A 44 -4.381 -1.645 -2.171 1.00 0.12 C ATOM 0 H VAL A 44 -4.120 -3.408 -0.397 1.00 0.07 H new ATOM 0 HA VAL A 44 -3.042 -4.192 -2.961 1.00 0.07 H new ATOM 0 HB VAL A 44 -2.341 -1.611 -1.604 1.00 0.09 H new ATOM 0 HG11 VAL A 44 -2.493 -0.787 -3.925 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -1.374 -2.163 -3.785 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -3.003 -2.405 -4.460 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.418 -0.577 -2.387 1.00 0.12 H new ATOM 0 HG22 VAL A 44 -5.033 -2.178 -2.863 1.00 0.12 H new ATOM 0 HG23 VAL A 44 -4.716 -1.820 -1.149 1.00 0.12 H new ATOM 741 N ILE A 45 -0.630 -4.443 -2.336 1.00 0.08 N ATOM 742 CA ILE A 45 0.703 -4.806 -1.936 1.00 0.08 C ATOM 743 C ILE A 45 1.670 -3.834 -2.581 1.00 0.11 C ATOM 744 O ILE A 45 1.635 -3.653 -3.787 1.00 0.14 O ATOM 745 CB ILE A 45 1.040 -6.252 -2.352 1.00 0.09 C ATOM 746 CG1 ILE A 45 0.257 -7.272 -1.502 1.00 0.09 C ATOM 747 CG2 ILE A 45 2.536 -6.507 -2.225 1.00 0.11 C ATOM 748 CD1 ILE A 45 -1.244 -7.153 -1.556 1.00 0.08 C ATOM 0 H ILE A 45 -0.844 -4.635 -3.315 1.00 0.08 H new ATOM 0 HA ILE A 45 0.781 -4.757 -0.850 1.00 0.08 H new ATOM 0 HB ILE A 45 0.745 -6.377 -3.394 1.00 0.09 H new ATOM 0 HG12 ILE A 45 0.535 -8.275 -1.824 1.00 0.09 H new ATOM 0 HG13 ILE A 45 0.574 -7.171 -0.464 1.00 0.09 H new ATOM 0 HG21 ILE A 45 2.757 -7.532 -2.522 1.00 0.11 H new ATOM 0 HG22 ILE A 45 3.079 -5.817 -2.871 1.00 0.11 H new ATOM 0 HG23 ILE A 45 2.845 -6.355 -1.191 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -1.693 -7.918 -0.922 1.00 0.08 H new ATOM 0 HD12 ILE A 45 -1.544 -6.167 -1.202 1.00 0.08 H new ATOM 0 HD13 ILE A 45 -1.583 -7.288 -2.583 1.00 0.08 H new ATOM 760 N LEU A 46 2.457 -3.166 -1.760 1.00 0.11 N ATOM 761 CA LEU A 46 3.469 -2.219 -2.218 1.00 0.13 C ATOM 762 C LEU A 46 4.846 -2.828 -2.063 1.00 0.11 C ATOM 763 O LEU A 46 5.276 -3.124 -0.961 1.00 0.17 O ATOM 764 CB LEU A 46 3.381 -0.945 -1.385 1.00 0.20 C ATOM 765 CG LEU A 46 1.966 -0.559 -1.003 1.00 0.14 C ATOM 766 CD1 LEU A 46 1.991 0.459 0.122 1.00 0.19 C ATOM 767 CD2 LEU A 46 1.217 -0.016 -2.209 1.00 0.23 C ATOM 0 H LEU A 46 2.416 -3.263 -0.745 1.00 0.11 H new ATOM 0 HA LEU A 46 3.296 -1.984 -3.268 1.00 0.13 H new ATOM 0 HB2 LEU A 46 3.970 -1.075 -0.477 1.00 0.20 H new ATOM 0 HB3 LEU A 46 3.833 -0.125 -1.943 1.00 0.20 H new ATOM 0 HG LEU A 46 1.441 -1.448 -0.654 1.00 0.14 H new ATOM 0 HD11 LEU A 46 0.970 0.730 0.390 1.00 0.19 H new ATOM 0 HD12 LEU A 46 2.492 0.030 0.990 1.00 0.19 H new ATOM 0 HD13 LEU A 46 2.529 1.349 -0.204 1.00 0.19 H new ATOM 0 HD21 LEU A 46 0.203 0.256 -1.915 1.00 0.23 H new ATOM 0 HD22 LEU A 46 1.733 0.865 -2.591 1.00 0.23 H new ATOM 0 HD23 LEU A 46 1.177 -0.779 -2.986 1.00 0.23 H new ATOM 779 N LYS A 47 5.523 -2.994 -3.173 1.00 0.15 N ATOM 780 CA LYS A 47 6.785 -3.720 -3.213 1.00 0.27 C ATOM 781 C LYS A 47 7.943 -2.833 -3.695 1.00 0.16 C ATOM 782 O LYS A 47 7.868 -2.259 -4.759 1.00 0.15 O ATOM 783 CB LYS A 47 6.547 -4.896 -4.144 1.00 0.63 C ATOM 784 CG LYS A 47 7.768 -5.462 -4.824 1.00 0.29 C ATOM 785 CD LYS A 47 7.350 -6.176 -6.094 1.00 0.55 C ATOM 786 CE LYS A 47 6.311 -7.246 -5.803 1.00 0.69 C ATOM 787 NZ LYS A 47 5.893 -7.972 -7.030 1.00 0.76 N ATOM 0 H LYS A 47 5.221 -2.633 -4.078 1.00 0.15 H new ATOM 0 HA LYS A 47 7.083 -4.053 -2.219 1.00 0.27 H new ATOM 0 HB2 LYS A 47 6.071 -5.694 -3.574 1.00 0.63 H new ATOM 0 HB3 LYS A 47 5.839 -4.587 -4.913 1.00 0.63 H new ATOM 0 HG2 LYS A 47 8.471 -4.663 -5.057 1.00 0.29 H new ATOM 0 HG3 LYS A 47 8.282 -6.154 -4.157 1.00 0.29 H new ATOM 0 HD2 LYS A 47 6.945 -5.455 -6.804 1.00 0.55 H new ATOM 0 HD3 LYS A 47 8.223 -6.630 -6.564 1.00 0.55 H new ATOM 0 HE2 LYS A 47 6.716 -7.957 -5.083 1.00 0.69 H new ATOM 0 HE3 LYS A 47 5.438 -6.786 -5.340 1.00 0.69 H new ATOM 0 HZ1 LYS A 47 5.124 -8.632 -6.798 1.00 0.76 H new ATOM 0 HZ2 LYS A 47 5.560 -7.290 -7.741 1.00 0.76 H new ATOM 0 HZ3 LYS A 47 6.702 -8.503 -7.412 1.00 0.76 H new ATOM 801 N LYS A 48 9.024 -2.799 -2.916 1.00 0.19 N ATOM 802 CA LYS A 48 10.166 -1.862 -3.095 1.00 0.15 C ATOM 803 C LYS A 48 10.689 -1.678 -4.529 1.00 0.14 C ATOM 804 O LYS A 48 11.483 -0.770 -4.776 1.00 0.17 O ATOM 805 CB LYS A 48 11.309 -2.312 -2.224 1.00 0.17 C ATOM 806 CG LYS A 48 11.391 -3.817 -2.120 1.00 0.19 C ATOM 807 CD LYS A 48 11.850 -4.242 -0.746 1.00 0.20 C ATOM 808 CE LYS A 48 13.278 -3.812 -0.465 1.00 0.21 C ATOM 809 NZ LYS A 48 13.834 -4.522 0.719 1.00 0.32 N ATOM 0 H LYS A 48 9.146 -3.429 -2.123 1.00 0.19 H new ATOM 0 HA LYS A 48 9.766 -0.888 -2.813 1.00 0.15 H new ATOM 0 HB2 LYS A 48 12.245 -1.926 -2.628 1.00 0.17 H new ATOM 0 HB3 LYS A 48 11.193 -1.887 -1.227 1.00 0.17 H new ATOM 0 HG2 LYS A 48 10.415 -4.253 -2.332 1.00 0.19 H new ATOM 0 HG3 LYS A 48 12.081 -4.200 -2.872 1.00 0.19 H new ATOM 0 HD2 LYS A 48 11.188 -3.813 0.006 1.00 0.20 H new ATOM 0 HD3 LYS A 48 11.774 -5.326 -0.657 1.00 0.20 H new ATOM 0 HE2 LYS A 48 13.899 -4.014 -1.338 1.00 0.21 H new ATOM 0 HE3 LYS A 48 13.309 -2.736 -0.294 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 14.783 -4.883 0.493 1.00 0.32 H new ATOM 0 HZ2 LYS A 48 13.896 -3.863 1.521 1.00 0.32 H new ATOM 0 HZ3 LYS A 48 13.212 -5.317 0.971 1.00 0.32 H new ATOM 823 N TYR A 49 10.314 -2.564 -5.439 1.00 0.14 N ATOM 824 CA TYR A 49 10.582 -2.402 -6.873 1.00 0.16 C ATOM 825 C TYR A 49 12.052 -2.640 -7.228 1.00 0.17 C ATOM 826 O TYR A 49 12.366 -3.459 -8.092 1.00 0.24 O ATOM 827 CB TYR A 49 10.202 -1.007 -7.355 1.00 0.19 C ATOM 828 CG TYR A 49 10.677 -0.718 -8.768 1.00 0.24 C ATOM 829 CD1 TYR A 49 10.299 -1.528 -9.836 1.00 1.03 C ATOM 830 CD2 TYR A 49 11.525 0.350 -9.028 1.00 1.22 C ATOM 831 CE1 TYR A 49 10.750 -1.276 -11.116 1.00 1.01 C ATOM 832 CE2 TYR A 49 11.982 0.605 -10.304 1.00 1.28 C ATOM 833 CZ TYR A 49 11.591 -0.209 -11.344 1.00 0.40 C ATOM 834 OH TYR A 49 12.054 0.042 -12.613 1.00 0.49 O ATOM 0 H TYR A 49 9.812 -3.422 -5.210 1.00 0.14 H new ATOM 0 HA TYR A 49 9.970 -3.155 -7.370 1.00 0.16 H new ATOM 0 HB2 TYR A 49 9.118 -0.896 -7.312 1.00 0.19 H new ATOM 0 HB3 TYR A 49 10.625 -0.266 -6.677 1.00 0.19 H new ATOM 0 HD1 TYR A 49 9.642 -2.367 -9.660 1.00 1.03 H new ATOM 0 HD2 TYR A 49 11.832 0.993 -8.216 1.00 1.22 H new ATOM 0 HE1 TYR A 49 10.445 -1.912 -11.934 1.00 1.01 H new ATOM 0 HE2 TYR A 49 12.643 1.439 -10.487 1.00 1.28 H new ATOM 0 HH TYR A 49 12.635 0.831 -12.599 1.00 0.49 H new ATOM 844 N SER A 50 12.938 -1.895 -6.576 1.00 0.19 N ATOM 845 CA SER A 50 14.364 -1.914 -6.884 1.00 0.25 C ATOM 846 C SER A 50 14.958 -3.334 -6.831 1.00 0.28 C ATOM 847 O SER A 50 15.774 -3.688 -7.684 1.00 0.34 O ATOM 848 CB SER A 50 15.124 -0.938 -5.969 1.00 0.37 C ATOM 849 OG SER A 50 14.711 -1.047 -4.616 1.00 1.36 O ATOM 0 H SER A 50 12.688 -1.260 -5.818 1.00 0.19 H new ATOM 0 HA SER A 50 14.484 -1.577 -7.914 1.00 0.25 H new ATOM 0 HB2 SER A 50 16.194 -1.135 -6.038 1.00 0.37 H new ATOM 0 HB3 SER A 50 14.964 0.083 -6.316 1.00 0.37 H new ATOM 0 HG SER A 50 15.218 -0.413 -4.067 1.00 1.36 H new ATOM 855 N PRO A 51 14.586 -4.167 -5.834 1.00 0.32 N ATOM 856 CA PRO A 51 14.899 -5.584 -5.828 1.00 0.42 C ATOM 857 C PRO A 51 13.686 -6.415 -6.200 1.00 0.45 C ATOM 858 O PRO A 51 13.649 -7.629 -5.986 1.00 0.58 O ATOM 859 CB PRO A 51 15.216 -5.835 -4.371 1.00 0.52 C ATOM 860 CG PRO A 51 14.439 -4.804 -3.602 1.00 0.46 C ATOM 861 CD PRO A 51 13.889 -3.819 -4.594 1.00 0.36 C ATOM 0 HA PRO A 51 15.692 -5.842 -6.530 1.00 0.42 H new ATOM 0 HB2 PRO A 51 14.927 -6.844 -4.076 1.00 0.52 H new ATOM 0 HB3 PRO A 51 16.285 -5.741 -4.181 1.00 0.52 H new ATOM 0 HG2 PRO A 51 13.632 -5.273 -3.040 1.00 0.46 H new ATOM 0 HG3 PRO A 51 15.081 -4.301 -2.878 1.00 0.46 H new ATOM 0 HD2 PRO A 51 12.808 -3.915 -4.699 1.00 0.36 H new ATOM 0 HD3 PRO A 51 14.090 -2.791 -4.294 1.00 0.36 H new ATOM 869 N ILE A 52 12.688 -5.741 -6.747 1.00 0.37 N ATOM 870 CA ILE A 52 11.380 -6.321 -6.944 1.00 0.46 C ATOM 871 C ILE A 52 10.873 -6.837 -5.606 1.00 0.61 C ATOM 872 O ILE A 52 10.886 -6.101 -4.619 1.00 0.61 O ATOM 873 CB ILE A 52 11.406 -7.421 -8.026 1.00 0.62 C ATOM 874 CG1 ILE A 52 12.406 -7.020 -9.105 1.00 0.51 C ATOM 875 CG2 ILE A 52 10.017 -7.598 -8.632 1.00 0.78 C ATOM 876 CD1 ILE A 52 12.509 -8.005 -10.249 1.00 0.69 C ATOM 0 H ILE A 52 12.767 -4.775 -7.066 1.00 0.37 H new ATOM 0 HA ILE A 52 10.691 -5.561 -7.312 1.00 0.46 H new ATOM 0 HB ILE A 52 11.705 -8.370 -7.581 1.00 0.62 H new ATOM 0 HG12 ILE A 52 12.123 -6.046 -9.503 1.00 0.51 H new ATOM 0 HG13 ILE A 52 13.389 -6.905 -8.649 1.00 0.51 H new ATOM 0 HG21 ILE A 52 10.049 -8.377 -9.394 1.00 0.78 H new ATOM 0 HG22 ILE A 52 9.313 -7.884 -7.851 1.00 0.78 H new ATOM 0 HG23 ILE A 52 9.696 -6.660 -9.085 1.00 0.78 H new ATOM 0 HD11 ILE A 52 13.241 -7.647 -10.973 1.00 0.69 H new ATOM 0 HD12 ILE A 52 12.823 -8.976 -9.866 1.00 0.69 H new ATOM 0 HD13 ILE A 52 11.537 -8.103 -10.733 1.00 0.69 H new ATOM 976 N ALA B 3 -2.764 -8.594 -8.957 1.00 0.51 N ATOM 977 CA ALA B 3 -1.614 -7.820 -9.404 1.00 0.33 C ATOM 978 C ALA B 3 -1.973 -6.764 -10.441 1.00 0.42 C ATOM 979 O ALA B 3 -2.623 -7.035 -11.453 1.00 0.86 O ATOM 980 CB ALA B 3 -0.500 -8.726 -9.917 1.00 0.48 C ATOM 0 HA ALA B 3 -1.250 -7.286 -8.526 1.00 0.33 H new ATOM 0 HB1 ALA B 3 0.343 -8.117 -10.243 1.00 0.48 H new ATOM 0 HB2 ALA B 3 -0.178 -9.394 -9.119 1.00 0.48 H new ATOM 0 HB3 ALA B 3 -0.868 -9.315 -10.757 1.00 0.48 H new ATOM 986 N THR B 4 -1.560 -5.545 -10.146 1.00 0.24 N ATOM 987 CA THR B 4 -1.646 -4.448 -11.085 1.00 0.26 C ATOM 988 C THR B 4 -0.243 -4.048 -11.538 1.00 0.30 C ATOM 989 O THR B 4 0.029 -3.921 -12.731 1.00 0.43 O ATOM 990 CB THR B 4 -2.377 -3.251 -10.462 1.00 0.26 C ATOM 991 OG1 THR B 4 -1.942 -3.069 -9.108 1.00 0.27 O ATOM 992 CG2 THR B 4 -3.884 -3.464 -10.480 1.00 0.26 C ATOM 0 H THR B 4 -1.155 -5.290 -9.245 1.00 0.24 H new ATOM 0 HA THR B 4 -2.220 -4.772 -11.953 1.00 0.26 H new ATOM 0 HB THR B 4 -2.142 -2.364 -11.051 1.00 0.26 H new ATOM 0 HG1 THR B 4 -1.073 -2.615 -9.102 1.00 0.27 H new ATOM 0 HG21 THR B 4 -4.379 -2.602 -10.033 1.00 0.26 H new ATOM 0 HG22 THR B 4 -4.222 -3.583 -11.509 1.00 0.26 H new ATOM 0 HG23 THR B 4 -4.132 -4.360 -9.911 1.00 0.26 H new ATOM 1000 N GLY B 5 0.640 -3.875 -10.568 1.00 0.23 N ATOM 1001 CA GLY B 5 2.044 -3.661 -10.859 1.00 0.25 C ATOM 1002 C GLY B 5 2.343 -2.248 -11.295 1.00 0.26 C ATOM 1003 O GLY B 5 2.965 -2.027 -12.334 1.00 0.33 O ATOM 0 H GLY B 5 0.408 -3.879 -9.575 1.00 0.23 H new ATOM 0 HA2 GLY B 5 2.634 -3.895 -9.973 1.00 0.25 H new ATOM 0 HA3 GLY B 5 2.357 -4.352 -11.642 1.00 0.25 H new ATOM 1007 N ILE B 6 1.890 -1.289 -10.512 1.00 0.21 N ATOM 1008 CA ILE B 6 2.229 0.100 -10.748 1.00 0.22 C ATOM 1009 C ILE B 6 3.216 0.565 -9.686 1.00 0.19 C ATOM 1010 O ILE B 6 2.863 0.725 -8.521 1.00 0.16 O ATOM 1011 CB ILE B 6 0.974 1.022 -10.782 1.00 0.23 C ATOM 1012 CG1 ILE B 6 1.358 2.501 -10.625 1.00 0.26 C ATOM 1013 CG2 ILE B 6 -0.033 0.621 -9.713 1.00 0.21 C ATOM 1014 CD1 ILE B 6 2.243 3.035 -11.734 1.00 0.30 C ATOM 0 H ILE B 6 1.285 -1.447 -9.706 1.00 0.21 H new ATOM 0 HA ILE B 6 2.689 0.172 -11.734 1.00 0.22 H new ATOM 0 HB ILE B 6 0.508 0.895 -11.759 1.00 0.23 H new ATOM 0 HG12 ILE B 6 0.447 3.099 -10.583 1.00 0.26 H new ATOM 0 HG13 ILE B 6 1.870 2.632 -9.672 1.00 0.26 H new ATOM 0 HG21 ILE B 6 -0.898 1.283 -9.761 1.00 0.21 H new ATOM 0 HG22 ILE B 6 -0.353 -0.407 -9.882 1.00 0.21 H new ATOM 0 HG23 ILE B 6 0.430 0.700 -8.729 1.00 0.21 H new ATOM 0 HD11 ILE B 6 2.467 4.085 -11.547 1.00 0.30 H new ATOM 0 HD12 ILE B 6 3.172 2.465 -11.764 1.00 0.30 H new ATOM 0 HD13 ILE B 6 1.727 2.939 -12.689 1.00 0.30 H new ATOM 1026 N VAL B 7 4.467 0.732 -10.086 1.00 0.24 N ATOM 1027 CA VAL B 7 5.492 1.183 -9.167 1.00 0.22 C ATOM 1028 C VAL B 7 5.386 2.686 -8.947 1.00 0.24 C ATOM 1029 O VAL B 7 5.212 3.458 -9.894 1.00 0.27 O ATOM 1030 CB VAL B 7 6.915 0.802 -9.629 1.00 0.23 C ATOM 1031 CG1 VAL B 7 7.963 1.610 -8.868 1.00 0.24 C ATOM 1032 CG2 VAL B 7 7.142 -0.694 -9.425 1.00 0.23 C ATOM 0 H VAL B 7 4.793 0.562 -11.037 1.00 0.24 H new ATOM 0 HA VAL B 7 5.319 0.669 -8.221 1.00 0.22 H new ATOM 0 HB VAL B 7 7.013 1.034 -10.689 1.00 0.23 H new ATOM 0 HG11 VAL B 7 8.959 1.326 -9.208 1.00 0.24 H new ATOM 0 HG12 VAL B 7 7.806 2.673 -9.051 1.00 0.24 H new ATOM 0 HG13 VAL B 7 7.873 1.408 -7.801 1.00 0.24 H new ATOM 0 HG21 VAL B 7 8.148 -0.957 -9.753 1.00 0.23 H new ATOM 0 HG22 VAL B 7 7.029 -0.938 -8.369 1.00 0.23 H new ATOM 0 HG23 VAL B 7 6.412 -1.256 -10.008 1.00 0.23 H new ATOM 1042 N ARG B 8 5.486 3.088 -7.692 1.00 0.23 N ATOM 1043 CA ARG B 8 5.387 4.465 -7.286 1.00 0.25 C ATOM 1044 C ARG B 8 6.537 4.739 -6.325 1.00 0.23 C ATOM 1045 O ARG B 8 6.689 4.041 -5.325 1.00 0.26 O ATOM 1046 CB ARG B 8 4.020 4.715 -6.606 1.00 0.29 C ATOM 1047 CG ARG B 8 4.067 5.524 -5.302 1.00 0.27 C ATOM 1048 CD ARG B 8 4.538 6.944 -5.534 1.00 0.24 C ATOM 1049 NE ARG B 8 3.632 7.707 -6.391 1.00 0.99 N ATOM 1050 CZ ARG B 8 3.701 9.028 -6.543 1.00 0.92 C ATOM 1051 NH1 ARG B 8 4.542 9.740 -5.803 1.00 0.53 N ATOM 1052 NH2 ARG B 8 2.908 9.644 -7.410 1.00 1.69 N ATOM 0 H ARG B 8 5.642 2.446 -6.915 1.00 0.23 H new ATOM 0 HA ARG B 8 5.452 5.135 -8.144 1.00 0.25 H new ATOM 0 HB2 ARG B 8 3.373 5.235 -7.312 1.00 0.29 H new ATOM 0 HB3 ARG B 8 3.556 3.751 -6.398 1.00 0.29 H new ATOM 0 HG2 ARG B 8 3.076 5.540 -4.849 1.00 0.27 H new ATOM 0 HG3 ARG B 8 4.733 5.032 -4.594 1.00 0.27 H new ATOM 0 HD2 ARG B 8 4.636 7.451 -4.574 1.00 0.24 H new ATOM 0 HD3 ARG B 8 5.529 6.924 -5.987 1.00 0.24 H new ATOM 0 HE ARG B 8 2.908 7.200 -6.900 1.00 0.99 H new ATOM 0 HH11 ARG B 8 5.137 9.275 -5.117 1.00 0.53 H new ATOM 0 HH12 ARG B 8 4.594 10.752 -5.921 1.00 0.53 H new ATOM 0 HH21 ARG B 8 2.242 9.105 -7.964 1.00 1.69 H new ATOM 0 HH22 ARG B 8 2.965 10.656 -7.523 1.00 1.69 H new ATOM 1066 N ARG B 9 7.369 5.708 -6.644 1.00 0.20 N ATOM 1067 CA ARG B 9 8.396 6.136 -5.722 1.00 0.19 C ATOM 1068 C ARG B 9 7.781 7.087 -4.724 1.00 0.20 C ATOM 1069 O ARG B 9 7.501 8.234 -5.074 1.00 0.21 O ATOM 1070 CB ARG B 9 9.524 6.817 -6.468 1.00 0.18 C ATOM 1071 CG ARG B 9 10.788 6.961 -5.664 1.00 0.24 C ATOM 1072 CD ARG B 9 11.980 7.005 -6.595 1.00 0.62 C ATOM 1073 NE ARG B 9 11.814 8.027 -7.626 1.00 1.35 N ATOM 1074 CZ ARG B 9 12.153 7.862 -8.905 1.00 1.74 C ATOM 1075 NH1 ARG B 9 12.705 6.724 -9.310 1.00 1.51 N ATOM 1076 NH2 ARG B 9 11.928 8.833 -9.783 1.00 2.71 N ATOM 0 H ARG B 9 7.354 6.211 -7.531 1.00 0.20 H new ATOM 0 HA ARG B 9 8.808 5.270 -5.203 1.00 0.19 H new ATOM 0 HB2 ARG B 9 9.743 6.249 -7.372 1.00 0.18 H new ATOM 0 HB3 ARG B 9 9.192 7.806 -6.785 1.00 0.18 H new ATOM 0 HG2 ARG B 9 10.748 7.871 -5.065 1.00 0.24 H new ATOM 0 HG3 ARG B 9 10.887 6.126 -4.970 1.00 0.24 H new ATOM 0 HD2 ARG B 9 12.884 7.208 -6.021 1.00 0.62 H new ATOM 0 HD3 ARG B 9 12.113 6.030 -7.065 1.00 0.62 H new ATOM 0 HE ARG B 9 11.413 8.923 -7.350 1.00 1.35 H new ATOM 0 HH11 ARG B 9 12.871 5.972 -8.642 1.00 1.51 H new ATOM 0 HH12 ARG B 9 12.963 6.602 -10.289 1.00 1.51 H new ATOM 0 HH21 ARG B 9 11.496 9.705 -9.479 1.00 2.71 H new ATOM 0 HH22 ARG B 9 12.188 8.706 -10.761 1.00 2.71 H new ATOM 1090 N ILE B 10 7.566 6.567 -3.506 1.00 0.22 N ATOM 1091 CA ILE B 10 6.895 7.269 -2.393 1.00 0.25 C ATOM 1092 C ILE B 10 6.673 8.765 -2.636 1.00 0.30 C ATOM 1093 O ILE B 10 5.743 9.136 -3.360 1.00 0.34 O ATOM 1094 CB ILE B 10 7.651 7.055 -1.051 1.00 0.23 C ATOM 1095 CG1 ILE B 10 9.164 6.845 -1.270 1.00 0.22 C ATOM 1096 CG2 ILE B 10 7.055 5.865 -0.327 1.00 0.21 C ATOM 1097 CD1 ILE B 10 9.805 7.846 -2.196 1.00 0.23 C ATOM 0 H ILE B 10 7.860 5.622 -3.258 1.00 0.22 H new ATOM 0 HA ILE B 10 5.905 6.816 -2.332 1.00 0.25 H new ATOM 0 HB ILE B 10 7.535 7.954 -0.446 1.00 0.23 H new ATOM 0 HG12 ILE B 10 9.668 6.888 -0.304 1.00 0.22 H new ATOM 0 HG13 ILE B 10 9.325 5.844 -1.670 1.00 0.22 H new ATOM 0 HG21 ILE B 10 7.582 5.711 0.615 1.00 0.21 H new ATOM 0 HG22 ILE B 10 6.000 6.052 -0.126 1.00 0.21 H new ATOM 0 HG23 ILE B 10 7.154 4.975 -0.948 1.00 0.21 H new ATOM 0 HD11 ILE B 10 10.868 7.624 -2.293 1.00 0.23 H new ATOM 0 HD12 ILE B 10 9.332 7.790 -3.176 1.00 0.23 H new ATOM 0 HD13 ILE B 10 9.680 8.850 -1.790 1.00 0.23 H new ATOM 1109 N ASP B 11 7.531 9.596 -2.037 1.00 0.32 N ATOM 1110 CA ASP B 11 7.526 11.039 -2.219 1.00 0.39 C ATOM 1111 C ASP B 11 8.312 11.648 -1.080 1.00 0.40 C ATOM 1112 O ASP B 11 8.938 10.919 -0.318 1.00 0.42 O ATOM 1113 CB ASP B 11 6.101 11.621 -2.255 1.00 0.43 C ATOM 1114 CG ASP B 11 5.471 11.794 -0.886 1.00 0.33 C ATOM 1115 OD1 ASP B 11 5.108 10.789 -0.242 1.00 1.08 O ATOM 1116 OD2 ASP B 11 5.345 12.950 -0.441 1.00 1.18 O ATOM 0 H ASP B 11 8.260 9.272 -1.401 1.00 0.32 H new ATOM 0 HA ASP B 11 7.979 11.277 -3.182 1.00 0.39 H new ATOM 0 HB2 ASP B 11 6.127 12.588 -2.757 1.00 0.43 H new ATOM 0 HB3 ASP B 11 5.468 10.968 -2.855 1.00 0.43 H new ATOM 1121 N ASP B 12 8.257 12.965 -0.942 1.00 0.44 N ATOM 1122 CA ASP B 12 9.017 13.660 0.090 1.00 0.47 C ATOM 1123 C ASP B 12 8.343 13.531 1.456 1.00 0.43 C ATOM 1124 O ASP B 12 8.749 14.179 2.421 1.00 0.63 O ATOM 1125 CB ASP B 12 9.214 15.135 -0.280 1.00 0.58 C ATOM 1126 CG ASP B 12 7.920 15.848 -0.610 1.00 1.42 C ATOM 1127 OD1 ASP B 12 7.282 16.390 0.312 1.00 1.78 O ATOM 1128 OD2 ASP B 12 7.548 15.888 -1.805 1.00 2.39 O ATOM 0 H ASP B 12 7.693 13.576 -1.533 1.00 0.44 H new ATOM 0 HA ASP B 12 9.998 13.189 0.155 1.00 0.47 H new ATOM 0 HB2 ASP B 12 9.702 15.648 0.549 1.00 0.58 H new ATOM 0 HB3 ASP B 12 9.886 15.201 -1.136 1.00 0.58 H new ATOM 1133 N LEU B 13 7.308 12.708 1.525 1.00 0.34 N ATOM 1134 CA LEU B 13 6.690 12.355 2.790 1.00 0.28 C ATOM 1135 C LEU B 13 6.796 10.847 3.015 1.00 0.23 C ATOM 1136 O LEU B 13 7.422 10.395 3.976 1.00 0.25 O ATOM 1137 CB LEU B 13 5.225 12.808 2.809 1.00 0.27 C ATOM 1138 CG LEU B 13 4.565 12.881 4.192 1.00 0.29 C ATOM 1139 CD1 LEU B 13 4.259 11.496 4.739 1.00 0.32 C ATOM 1140 CD2 LEU B 13 5.454 13.650 5.153 1.00 0.40 C ATOM 0 H LEU B 13 6.877 12.270 0.711 1.00 0.34 H new ATOM 0 HA LEU B 13 7.213 12.864 3.599 1.00 0.28 H new ATOM 0 HB2 LEU B 13 5.163 13.793 2.346 1.00 0.27 H new ATOM 0 HB3 LEU B 13 4.646 12.126 2.187 1.00 0.27 H new ATOM 0 HG LEU B 13 3.617 13.408 4.086 1.00 0.29 H new ATOM 0 HD11 LEU B 13 3.792 11.587 5.720 1.00 0.32 H new ATOM 0 HD12 LEU B 13 3.580 10.979 4.061 1.00 0.32 H new ATOM 0 HD13 LEU B 13 5.185 10.928 4.829 1.00 0.32 H new ATOM 0 HD21 LEU B 13 4.977 13.696 6.132 1.00 0.40 H new ATOM 0 HD22 LEU B 13 6.416 13.145 5.242 1.00 0.40 H new ATOM 0 HD23 LEU B 13 5.608 14.661 4.776 1.00 0.40 H new ATOM 1152 N GLY B 14 6.193 10.068 2.123 1.00 0.21 N ATOM 1153 CA GLY B 14 6.217 8.626 2.277 1.00 0.18 C ATOM 1154 C GLY B 14 4.885 7.970 1.976 1.00 0.17 C ATOM 1155 O GLY B 14 4.677 6.809 2.311 1.00 0.20 O ATOM 0 H GLY B 14 5.692 10.407 1.302 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.977 8.209 1.616 1.00 0.18 H new ATOM 0 HA3 GLY B 14 6.513 8.381 3.297 1.00 0.18 H new ATOM 1159 N ARG B 15 3.977 8.693 1.339 1.00 0.18 N ATOM 1160 CA ARG B 15 2.699 8.102 0.969 1.00 0.20 C ATOM 1161 C ARG B 15 2.855 7.310 -0.287 1.00 0.18 C ATOM 1162 O ARG B 15 3.731 7.570 -1.109 1.00 0.20 O ATOM 1163 CB ARG B 15 1.606 9.137 0.716 1.00 0.29 C ATOM 1164 CG ARG B 15 1.584 10.290 1.682 1.00 0.24 C ATOM 1165 CD ARG B 15 2.203 11.513 1.048 1.00 0.42 C ATOM 1166 NE ARG B 15 1.829 12.735 1.762 1.00 0.52 N ATOM 1167 CZ ARG B 15 2.217 13.963 1.420 1.00 0.51 C ATOM 1168 NH1 ARG B 15 3.092 14.147 0.442 1.00 0.87 N ATOM 1169 NH2 ARG B 15 1.768 15.008 2.100 1.00 0.90 N ATOM 0 H ARG B 15 4.096 9.670 1.072 1.00 0.18 H new ATOM 0 HA ARG B 15 2.400 7.481 1.814 1.00 0.20 H new ATOM 0 HB2 ARG B 15 1.727 9.531 -0.293 1.00 0.29 H new ATOM 0 HB3 ARG B 15 0.638 8.636 0.749 1.00 0.29 H new ATOM 0 HG2 ARG B 15 0.558 10.505 1.979 1.00 0.24 H new ATOM 0 HG3 ARG B 15 2.129 10.025 2.588 1.00 0.24 H new ATOM 0 HD2 ARG B 15 3.288 11.411 1.042 1.00 0.42 H new ATOM 0 HD3 ARG B 15 1.884 11.586 0.008 1.00 0.42 H new ATOM 0 HE ARG B 15 1.228 12.640 2.581 1.00 0.52 H new ATOM 0 HH11 ARG B 15 3.475 13.344 -0.057 1.00 0.87 H new ATOM 0 HH12 ARG B 15 3.382 15.091 0.188 1.00 0.87 H new ATOM 0 HH21 ARG B 15 1.128 14.871 2.882 1.00 0.90 H new ATOM 0 HH22 ARG B 15 2.063 15.950 1.841 1.00 0.90 H new ATOM 1183 N VAL B 16 1.989 6.351 -0.444 1.00 0.18 N ATOM 1184 CA VAL B 16 1.911 5.671 -1.682 1.00 0.19 C ATOM 1185 C VAL B 16 0.640 6.117 -2.349 1.00 0.17 C ATOM 1186 O VAL B 16 -0.470 5.869 -1.877 1.00 0.20 O ATOM 1187 CB VAL B 16 2.027 4.139 -1.547 1.00 0.27 C ATOM 1188 CG1 VAL B 16 3.190 3.766 -0.643 1.00 1.15 C ATOM 1189 CG2 VAL B 16 0.746 3.489 -1.067 1.00 1.27 C ATOM 0 H VAL B 16 1.335 6.032 0.271 1.00 0.18 H new ATOM 0 HA VAL B 16 2.768 5.930 -2.304 1.00 0.19 H new ATOM 0 HB VAL B 16 2.216 3.752 -2.548 1.00 0.27 H new ATOM 0 HG11 VAL B 16 3.254 2.681 -0.561 1.00 1.15 H new ATOM 0 HG12 VAL B 16 4.117 4.153 -1.065 1.00 1.15 H new ATOM 0 HG13 VAL B 16 3.034 4.196 0.347 1.00 1.15 H new ATOM 0 HG21 VAL B 16 0.891 2.411 -0.992 1.00 1.27 H new ATOM 0 HG22 VAL B 16 0.480 3.888 -0.088 1.00 1.27 H new ATOM 0 HG23 VAL B 16 -0.056 3.699 -1.775 1.00 1.27 H new ATOM 1199 N VAL B 17 0.813 6.897 -3.382 1.00 0.18 N ATOM 1200 CA VAL B 17 -0.310 7.494 -4.040 1.00 0.19 C ATOM 1201 C VAL B 17 -1.078 6.421 -4.789 1.00 0.19 C ATOM 1202 O VAL B 17 -0.691 6.025 -5.885 1.00 0.22 O ATOM 1203 CB VAL B 17 0.126 8.626 -4.988 1.00 0.23 C ATOM 1204 CG1 VAL B 17 -1.087 9.293 -5.615 1.00 0.27 C ATOM 1205 CG2 VAL B 17 1.001 9.637 -4.242 1.00 0.25 C ATOM 0 H VAL B 17 1.721 7.132 -3.783 1.00 0.18 H new ATOM 0 HA VAL B 17 -0.959 7.944 -3.289 1.00 0.19 H new ATOM 0 HB VAL B 17 0.722 8.200 -5.795 1.00 0.23 H new ATOM 0 HG11 VAL B 17 -0.760 10.091 -6.282 1.00 0.27 H new ATOM 0 HG12 VAL B 17 -1.655 8.556 -6.182 1.00 0.27 H new ATOM 0 HG13 VAL B 17 -1.718 9.712 -4.831 1.00 0.27 H new ATOM 0 HG21 VAL B 17 1.302 10.432 -4.925 1.00 0.25 H new ATOM 0 HG22 VAL B 17 0.437 10.065 -3.413 1.00 0.25 H new ATOM 0 HG23 VAL B 17 1.888 9.135 -3.856 1.00 0.25 H new ATOM 1215 N ILE B 18 -2.125 5.917 -4.147 1.00 0.19 N ATOM 1216 CA ILE B 18 -2.929 4.850 -4.707 1.00 0.20 C ATOM 1217 C ILE B 18 -3.993 5.421 -5.633 1.00 0.18 C ATOM 1218 O ILE B 18 -4.930 6.085 -5.185 1.00 0.18 O ATOM 1219 CB ILE B 18 -3.597 3.989 -3.601 1.00 0.24 C ATOM 1220 CG1 ILE B 18 -2.538 3.227 -2.808 1.00 0.39 C ATOM 1221 CG2 ILE B 18 -4.618 3.027 -4.202 1.00 0.25 C ATOM 1222 CD1 ILE B 18 -1.720 2.272 -3.644 1.00 0.82 C ATOM 0 H ILE B 18 -2.435 6.237 -3.230 1.00 0.19 H new ATOM 0 HA ILE B 18 -2.262 4.203 -5.276 1.00 0.20 H new ATOM 0 HB ILE B 18 -4.125 4.656 -2.920 1.00 0.24 H new ATOM 0 HG12 ILE B 18 -1.868 3.944 -2.332 1.00 0.39 H new ATOM 0 HG13 ILE B 18 -3.027 2.669 -2.010 1.00 0.39 H new ATOM 0 HG21 ILE B 18 -5.072 2.435 -3.407 1.00 0.25 H new ATOM 0 HG22 ILE B 18 -5.392 3.594 -4.719 1.00 0.25 H new ATOM 0 HG23 ILE B 18 -4.120 2.364 -4.909 1.00 0.25 H new ATOM 0 HD11 ILE B 18 -0.990 1.768 -3.011 1.00 0.82 H new ATOM 0 HD12 ILE B 18 -2.378 1.532 -4.099 1.00 0.82 H new ATOM 0 HD13 ILE B 18 -1.201 2.826 -4.426 1.00 0.82 H new ATOM 1234 N PRO B 19 -3.825 5.219 -6.944 1.00 0.21 N ATOM 1235 CA PRO B 19 -4.815 5.610 -7.937 1.00 0.23 C ATOM 1236 C PRO B 19 -6.222 5.181 -7.562 1.00 0.21 C ATOM 1237 O PRO B 19 -6.441 4.090 -7.023 1.00 0.21 O ATOM 1238 CB PRO B 19 -4.356 4.868 -9.180 1.00 0.28 C ATOM 1239 CG PRO B 19 -2.882 4.844 -9.043 1.00 0.30 C ATOM 1240 CD PRO B 19 -2.629 4.632 -7.575 1.00 0.27 C ATOM 0 HA PRO B 19 -4.873 6.692 -8.052 1.00 0.23 H new ATOM 0 HB2 PRO B 19 -4.772 3.861 -9.223 1.00 0.28 H new ATOM 0 HB3 PRO B 19 -4.666 5.380 -10.091 1.00 0.28 H new ATOM 0 HG2 PRO B 19 -2.444 4.043 -9.638 1.00 0.30 H new ATOM 0 HG3 PRO B 19 -2.439 5.778 -9.389 1.00 0.30 H new ATOM 0 HD2 PRO B 19 -2.523 3.575 -7.332 1.00 0.27 H new ATOM 0 HD3 PRO B 19 -1.715 5.128 -7.247 1.00 0.27 H new ATOM 1248 N LYS B 20 -7.174 6.042 -7.858 1.00 0.23 N ATOM 1249 CA LYS B 20 -8.574 5.760 -7.597 1.00 0.23 C ATOM 1250 C LYS B 20 -9.044 4.511 -8.327 1.00 0.21 C ATOM 1251 O LYS B 20 -10.096 3.985 -8.010 1.00 0.22 O ATOM 1252 CB LYS B 20 -9.474 6.941 -7.973 1.00 0.28 C ATOM 1253 CG LYS B 20 -9.256 7.475 -9.386 1.00 0.39 C ATOM 1254 CD LYS B 20 -8.006 8.335 -9.466 1.00 0.53 C ATOM 1255 CE LYS B 20 -8.208 9.687 -8.796 1.00 0.90 C ATOM 1256 NZ LYS B 20 -9.040 10.602 -9.622 1.00 1.77 N ATOM 0 H LYS B 20 -7.002 6.953 -8.284 1.00 0.23 H new ATOM 0 HA LYS B 20 -8.654 5.589 -6.523 1.00 0.23 H new ATOM 0 HB2 LYS B 20 -10.515 6.636 -7.870 1.00 0.28 H new ATOM 0 HB3 LYS B 20 -9.307 7.750 -7.262 1.00 0.28 H new ATOM 0 HG2 LYS B 20 -9.171 6.641 -10.083 1.00 0.39 H new ATOM 0 HG3 LYS B 20 -10.123 8.060 -9.693 1.00 0.39 H new ATOM 0 HD2 LYS B 20 -7.175 7.814 -8.991 1.00 0.53 H new ATOM 0 HD3 LYS B 20 -7.733 8.484 -10.511 1.00 0.53 H new ATOM 0 HE2 LYS B 20 -8.683 9.543 -7.826 1.00 0.90 H new ATOM 0 HE3 LYS B 20 -7.238 10.148 -8.611 1.00 0.90 H new ATOM 0 HZ1 LYS B 20 -9.082 11.537 -9.169 1.00 1.77 H new ATOM 0 HZ2 LYS B 20 -8.619 10.694 -10.569 1.00 1.77 H new ATOM 0 HZ3 LYS B 20 -10.002 10.215 -9.707 1.00 1.77 H new ATOM 1270 N GLU B 21 -8.271 4.046 -9.302 1.00 0.21 N ATOM 1271 CA GLU B 21 -8.637 2.857 -10.065 1.00 0.20 C ATOM 1272 C GLU B 21 -8.673 1.610 -9.176 1.00 0.20 C ATOM 1273 O GLU B 21 -9.446 0.679 -9.426 1.00 0.20 O ATOM 1274 CB GLU B 21 -7.676 2.653 -11.239 1.00 0.23 C ATOM 1275 CG GLU B 21 -6.239 2.420 -10.818 1.00 0.47 C ATOM 1276 CD GLU B 21 -5.293 2.304 -11.995 1.00 1.08 C ATOM 1277 OE1 GLU B 21 -5.149 1.191 -12.543 1.00 1.92 O ATOM 1278 OE2 GLU B 21 -4.686 3.327 -12.373 1.00 1.53 O ATOM 0 H GLU B 21 -7.388 4.473 -9.583 1.00 0.21 H new ATOM 0 HA GLU B 21 -9.641 3.013 -10.460 1.00 0.20 H new ATOM 0 HB2 GLU B 21 -8.014 1.802 -11.830 1.00 0.23 H new ATOM 0 HB3 GLU B 21 -7.718 3.528 -11.887 1.00 0.23 H new ATOM 0 HG2 GLU B 21 -5.915 3.240 -10.177 1.00 0.47 H new ATOM 0 HG3 GLU B 21 -6.183 1.509 -10.222 1.00 0.47 H new ATOM 1285 N ILE B 22 -7.907 1.616 -8.087 1.00 0.22 N ATOM 1286 CA ILE B 22 -7.848 0.444 -7.232 1.00 0.25 C ATOM 1287 C ILE B 22 -8.980 0.543 -6.226 1.00 0.24 C ATOM 1288 O ILE B 22 -9.714 -0.412 -6.001 1.00 0.24 O ATOM 1289 CB ILE B 22 -6.496 0.288 -6.494 1.00 0.32 C ATOM 1290 CG1 ILE B 22 -5.347 0.194 -7.497 1.00 0.28 C ATOM 1291 CG2 ILE B 22 -6.510 -0.944 -5.599 1.00 0.44 C ATOM 1292 CD1 ILE B 22 -4.761 1.531 -7.867 1.00 0.25 C ATOM 0 H ILE B 22 -7.332 2.403 -7.785 1.00 0.22 H new ATOM 0 HA ILE B 22 -7.947 -0.440 -7.863 1.00 0.25 H new ATOM 0 HB ILE B 22 -6.347 1.169 -5.870 1.00 0.32 H new ATOM 0 HG12 ILE B 22 -4.561 -0.435 -7.079 1.00 0.28 H new ATOM 0 HG13 ILE B 22 -5.704 -0.300 -8.401 1.00 0.28 H new ATOM 0 HG21 ILE B 22 -5.550 -1.035 -5.090 1.00 0.44 H new ATOM 0 HG22 ILE B 22 -7.305 -0.848 -4.860 1.00 0.44 H new ATOM 0 HG23 ILE B 22 -6.684 -1.833 -6.206 1.00 0.44 H new ATOM 0 HD11 ILE B 22 -3.951 1.388 -8.582 1.00 0.25 H new ATOM 0 HD12 ILE B 22 -5.534 2.156 -8.315 1.00 0.25 H new ATOM 0 HD13 ILE B 22 -4.373 2.019 -6.972 1.00 0.25 H new ATOM 1304 N ARG B 23 -9.142 1.743 -5.673 1.00 0.24 N ATOM 1305 CA ARG B 23 -10.239 2.048 -4.772 1.00 0.23 C ATOM 1306 C ARG B 23 -11.568 1.933 -5.514 1.00 0.22 C ATOM 1307 O ARG B 23 -12.613 1.674 -4.919 1.00 0.23 O ATOM 1308 CB ARG B 23 -10.027 3.447 -4.182 1.00 0.26 C ATOM 1309 CG ARG B 23 -11.294 4.244 -4.012 1.00 0.50 C ATOM 1310 CD ARG B 23 -11.361 5.374 -5.014 1.00 0.35 C ATOM 1311 NE ARG B 23 -10.459 6.477 -4.673 1.00 0.85 N ATOM 1312 CZ ARG B 23 -10.811 7.765 -4.719 1.00 0.95 C ATOM 1313 NH1 ARG B 23 -12.045 8.111 -5.068 1.00 1.36 N ATOM 1314 NH2 ARG B 23 -9.930 8.710 -4.417 1.00 1.40 N ATOM 0 H ARG B 23 -8.513 2.528 -5.840 1.00 0.24 H new ATOM 0 HA ARG B 23 -10.265 1.333 -3.949 1.00 0.23 H new ATOM 0 HB2 ARG B 23 -9.539 3.350 -3.212 1.00 0.26 H new ATOM 0 HB3 ARG B 23 -9.346 4.002 -4.827 1.00 0.26 H new ATOM 0 HG2 ARG B 23 -12.158 3.591 -4.136 1.00 0.50 H new ATOM 0 HG3 ARG B 23 -11.342 4.647 -3.000 1.00 0.50 H new ATOM 0 HD2 ARG B 23 -11.108 4.994 -6.004 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -12.383 5.748 -5.068 1.00 0.35 H new ATOM 0 HE ARG B 23 -9.508 6.249 -4.384 1.00 0.85 H new ATOM 0 HH11 ARG B 23 -12.729 7.392 -5.303 1.00 1.36 H new ATOM 0 HH12 ARG B 23 -12.308 9.096 -5.101 1.00 1.36 H new ATOM 0 HH21 ARG B 23 -8.980 8.454 -4.148 1.00 1.40 H new ATOM 0 HH22 ARG B 23 -10.203 9.692 -4.453 1.00 1.40 H new ATOM 1328 N ARG B 24 -11.514 2.132 -6.820 1.00 0.22 N ATOM 1329 CA ARG B 24 -12.658 1.894 -7.678 1.00 0.25 C ATOM 1330 C ARG B 24 -13.019 0.421 -7.703 1.00 0.26 C ATOM 1331 O ARG B 24 -14.181 0.074 -7.507 1.00 0.28 O ATOM 1332 CB ARG B 24 -12.413 2.392 -9.100 1.00 0.29 C ATOM 1333 CG ARG B 24 -13.389 1.811 -10.110 1.00 0.42 C ATOM 1334 CD ARG B 24 -13.331 2.546 -11.436 1.00 0.55 C ATOM 1335 NE ARG B 24 -13.980 3.852 -11.356 1.00 1.47 N ATOM 1336 CZ ARG B 24 -13.906 4.783 -12.304 1.00 2.06 C ATOM 1337 NH1 ARG B 24 -13.271 4.532 -13.444 1.00 1.83 N ATOM 1338 NH2 ARG B 24 -14.497 5.955 -12.124 1.00 3.19 N ATOM 0 H ARG B 24 -10.682 2.460 -7.311 1.00 0.22 H new ATOM 0 HA ARG B 24 -13.492 2.458 -7.260 1.00 0.25 H new ATOM 0 HB2 ARG B 24 -12.487 3.479 -9.116 1.00 0.29 H new ATOM 0 HB3 ARG B 24 -11.396 2.137 -9.398 1.00 0.29 H new ATOM 0 HG2 ARG B 24 -13.163 0.756 -10.269 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -14.401 1.863 -9.709 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -12.291 2.674 -11.737 1.00 0.55 H new ATOM 0 HD3 ARG B 24 -13.814 1.946 -12.207 1.00 0.55 H new ATOM 0 HE ARG B 24 -14.525 4.064 -10.520 1.00 1.47 H new ATOM 0 HH11 ARG B 24 -12.837 3.622 -13.596 1.00 1.83 H new ATOM 0 HH12 ARG B 24 -13.218 5.250 -14.167 1.00 1.83 H new ATOM 0 HH21 ARG B 24 -15.007 6.142 -11.261 1.00 3.19 H new ATOM 0 HH22 ARG B 24 -14.442 6.671 -12.849 1.00 3.19 H new ATOM 1352 N THR B 25 -12.044 -0.458 -7.944 1.00 0.26 N ATOM 1353 CA THR B 25 -12.302 -1.889 -7.861 1.00 0.29 C ATOM 1354 C THR B 25 -12.691 -2.281 -6.433 1.00 0.28 C ATOM 1355 O THR B 25 -13.309 -3.315 -6.197 1.00 0.33 O ATOM 1356 CB THR B 25 -11.057 -2.687 -8.300 1.00 0.32 C ATOM 1357 OG1 THR B 25 -10.619 -2.220 -9.585 1.00 0.35 O ATOM 1358 CG2 THR B 25 -11.355 -4.180 -8.378 1.00 0.40 C ATOM 0 H THR B 25 -11.087 -0.207 -8.193 1.00 0.26 H new ATOM 0 HA THR B 25 -13.129 -2.126 -8.530 1.00 0.29 H new ATOM 0 HB THR B 25 -10.274 -2.533 -7.557 1.00 0.32 H new ATOM 0 HG1 THR B 25 -10.160 -1.360 -9.482 1.00 0.35 H new ATOM 0 HG21 THR B 25 -10.458 -4.714 -8.690 1.00 0.40 H new ATOM 0 HG22 THR B 25 -11.669 -4.540 -7.398 1.00 0.40 H new ATOM 0 HG23 THR B 25 -12.151 -4.355 -9.102 1.00 0.40 H new ATOM 1366 N LEU B 26 -12.308 -1.436 -5.484 1.00 0.26 N ATOM 1367 CA LEU B 26 -12.713 -1.581 -4.094 1.00 0.26 C ATOM 1368 C LEU B 26 -14.177 -1.179 -3.907 1.00 0.26 C ATOM 1369 O LEU B 26 -14.819 -1.602 -2.947 1.00 0.29 O ATOM 1370 CB LEU B 26 -11.824 -0.710 -3.197 1.00 0.24 C ATOM 1371 CG LEU B 26 -10.701 -1.445 -2.452 1.00 0.27 C ATOM 1372 CD1 LEU B 26 -11.269 -2.615 -1.676 1.00 0.33 C ATOM 1373 CD2 LEU B 26 -9.623 -1.927 -3.407 1.00 0.27 C ATOM 0 H LEU B 26 -11.707 -0.630 -5.658 1.00 0.26 H new ATOM 0 HA LEU B 26 -12.601 -2.629 -3.814 1.00 0.26 H new ATOM 0 HB2 LEU B 26 -11.376 0.071 -3.811 1.00 0.24 H new ATOM 0 HB3 LEU B 26 -12.458 -0.214 -2.462 1.00 0.24 H new ATOM 0 HG LEU B 26 -10.243 -0.740 -1.758 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -10.464 -3.129 -1.151 1.00 0.33 H new ATOM 0 HD12 LEU B 26 -11.999 -2.252 -0.953 1.00 0.33 H new ATOM 0 HD13 LEU B 26 -11.754 -3.307 -2.364 1.00 0.33 H new ATOM 0 HD21 LEU B 26 -8.844 -2.443 -2.846 1.00 0.27 H new ATOM 0 HD22 LEU B 26 -10.060 -2.612 -4.134 1.00 0.27 H new ATOM 0 HD23 LEU B 26 -9.190 -1.073 -3.928 1.00 0.27 H new ATOM 1385 N ARG B 27 -14.694 -0.386 -4.856 1.00 0.27 N ATOM 1386 CA ARG B 27 -16.036 0.201 -4.773 1.00 0.32 C ATOM 1387 C ARG B 27 -16.110 1.228 -3.648 1.00 0.31 C ATOM 1388 O ARG B 27 -17.174 1.470 -3.077 1.00 0.34 O ATOM 1389 CB ARG B 27 -17.099 -0.876 -4.564 1.00 0.37 C ATOM 1390 CG ARG B 27 -17.635 -1.498 -5.847 1.00 0.75 C ATOM 1391 CD ARG B 27 -16.592 -2.341 -6.561 1.00 1.00 C ATOM 1392 NE ARG B 27 -16.082 -3.423 -5.717 1.00 1.79 N ATOM 1393 CZ ARG B 27 -16.061 -4.707 -6.075 1.00 2.41 C ATOM 1394 NH1 ARG B 27 -16.603 -5.090 -7.223 1.00 2.67 N ATOM 1395 NH2 ARG B 27 -15.504 -5.612 -5.282 1.00 3.28 N ATOM 0 H ARG B 27 -14.190 -0.133 -5.706 1.00 0.27 H new ATOM 0 HA ARG B 27 -16.233 0.701 -5.721 1.00 0.32 H new ATOM 0 HB2 ARG B 27 -16.679 -1.666 -3.941 1.00 0.37 H new ATOM 0 HB3 ARG B 27 -17.932 -0.443 -4.011 1.00 0.37 H new ATOM 0 HG2 ARG B 27 -18.501 -2.117 -5.613 1.00 0.75 H new ATOM 0 HG3 ARG B 27 -17.979 -0.708 -6.515 1.00 0.75 H new ATOM 0 HD2 ARG B 27 -17.027 -2.764 -7.467 1.00 1.00 H new ATOM 0 HD3 ARG B 27 -15.764 -1.704 -6.872 1.00 1.00 H new ATOM 0 HE ARG B 27 -15.719 -3.179 -4.796 1.00 1.79 H new ATOM 0 HH11 ARG B 27 -17.038 -4.401 -7.836 1.00 2.67 H new ATOM 0 HH12 ARG B 27 -16.584 -6.074 -7.493 1.00 2.67 H new ATOM 0 HH21 ARG B 27 -15.090 -5.327 -4.395 1.00 3.28 H new ATOM 0 HH22 ARG B 27 -15.490 -6.593 -5.559 1.00 3.28 H new ATOM 1409 N ILE B 28 -14.979 1.847 -3.351 1.00 0.29 N ATOM 1410 CA ILE B 28 -14.892 2.799 -2.250 1.00 0.30 C ATOM 1411 C ILE B 28 -14.431 4.169 -2.763 1.00 0.30 C ATOM 1412 O ILE B 28 -14.482 4.426 -3.964 1.00 0.33 O ATOM 1413 CB ILE B 28 -13.953 2.263 -1.143 1.00 0.31 C ATOM 1414 CG1 ILE B 28 -14.175 0.756 -0.980 1.00 0.34 C ATOM 1415 CG2 ILE B 28 -14.241 2.961 0.183 1.00 0.34 C ATOM 1416 CD1 ILE B 28 -13.313 0.104 0.074 1.00 0.37 C ATOM 0 H ILE B 28 -14.105 1.708 -3.857 1.00 0.29 H new ATOM 0 HA ILE B 28 -15.883 2.923 -1.813 1.00 0.30 H new ATOM 0 HB ILE B 28 -12.920 2.461 -1.429 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -15.222 0.581 -0.733 1.00 0.34 H new ATOM 0 HG13 ILE B 28 -13.987 0.269 -1.937 1.00 0.34 H new ATOM 0 HG21 ILE B 28 -13.572 2.573 0.951 1.00 0.34 H new ATOM 0 HG22 ILE B 28 -14.082 4.034 0.072 1.00 0.34 H new ATOM 0 HG23 ILE B 28 -15.275 2.776 0.475 1.00 0.34 H new ATOM 0 HD11 ILE B 28 -13.538 -0.962 0.120 1.00 0.37 H new ATOM 0 HD12 ILE B 28 -12.262 0.243 -0.179 1.00 0.37 H new ATOM 0 HD13 ILE B 28 -13.516 0.560 1.043 1.00 0.37 H new ATOM 1428 N ARG B 29 -13.978 5.038 -1.864 1.00 0.28 N ATOM 1429 CA ARG B 29 -13.717 6.442 -2.201 1.00 0.30 C ATOM 1430 C ARG B 29 -12.727 7.072 -1.211 1.00 0.27 C ATOM 1431 O ARG B 29 -11.982 6.357 -0.547 1.00 0.25 O ATOM 1432 CB ARG B 29 -15.049 7.223 -2.221 1.00 0.33 C ATOM 1433 CG ARG B 29 -15.587 7.643 -0.849 1.00 0.57 C ATOM 1434 CD ARG B 29 -15.562 6.515 0.171 1.00 0.59 C ATOM 1435 NE ARG B 29 -15.989 6.969 1.494 1.00 1.03 N ATOM 1436 CZ ARG B 29 -16.318 6.158 2.500 1.00 1.47 C ATOM 1437 NH1 ARG B 29 -16.336 4.840 2.327 1.00 2.15 N ATOM 1438 NH2 ARG B 29 -16.640 6.672 3.680 1.00 1.99 N ATOM 0 H ARG B 29 -13.782 4.798 -0.892 1.00 0.28 H new ATOM 0 HA ARG B 29 -13.263 6.489 -3.191 1.00 0.30 H new ATOM 0 HB2 ARG B 29 -14.917 8.118 -2.830 1.00 0.33 H new ATOM 0 HB3 ARG B 29 -15.802 6.610 -2.715 1.00 0.33 H new ATOM 0 HG2 ARG B 29 -14.996 8.478 -0.473 1.00 0.57 H new ATOM 0 HG3 ARG B 29 -16.610 8.002 -0.961 1.00 0.57 H new ATOM 0 HD2 ARG B 29 -16.213 5.708 -0.164 1.00 0.59 H new ATOM 0 HD3 ARG B 29 -14.554 6.105 0.235 1.00 0.59 H new ATOM 0 HE ARG B 29 -16.039 7.974 1.658 1.00 1.03 H new ATOM 0 HH11 ARG B 29 -16.097 4.442 1.419 1.00 2.15 H new ATOM 0 HH12 ARG B 29 -16.589 4.227 3.102 1.00 2.15 H new ATOM 0 HH21 ARG B 29 -16.635 7.683 3.814 1.00 1.99 H new ATOM 0 HH22 ARG B 29 -16.892 6.056 4.453 1.00 1.99 H new ATOM 1452 N GLU B 30 -12.737 8.408 -1.114 1.00 0.30 N ATOM 1453 CA GLU B 30 -11.867 9.154 -0.189 1.00 0.31 C ATOM 1454 C GLU B 30 -12.246 8.954 1.277 1.00 0.30 C ATOM 1455 O GLU B 30 -12.046 9.832 2.116 1.00 0.36 O ATOM 1456 CB GLU B 30 -11.906 10.642 -0.505 1.00 0.39 C ATOM 1457 CG GLU B 30 -11.193 10.997 -1.786 1.00 0.44 C ATOM 1458 CD GLU B 30 -12.040 10.759 -3.015 1.00 0.55 C ATOM 1459 OE1 GLU B 30 -13.236 10.421 -2.866 1.00 1.18 O ATOM 1460 OE2 GLU B 30 -11.516 10.912 -4.136 1.00 1.08 O ATOM 0 H GLU B 30 -13.347 9.004 -1.673 1.00 0.30 H new ATOM 0 HA GLU B 30 -10.862 8.758 -0.333 1.00 0.31 H new ATOM 0 HB2 GLU B 30 -12.945 10.965 -0.574 1.00 0.39 H new ATOM 0 HB3 GLU B 30 -11.454 11.194 0.319 1.00 0.39 H new ATOM 0 HG2 GLU B 30 -10.897 12.045 -1.753 1.00 0.44 H new ATOM 0 HG3 GLU B 30 -10.278 10.409 -1.862 1.00 0.44 H new ATOM 1467 N GLY B 31 -12.773 7.784 1.575 1.00 0.26 N ATOM 1468 CA GLY B 31 -13.029 7.400 2.940 1.00 0.26 C ATOM 1469 C GLY B 31 -12.808 5.917 3.111 1.00 0.27 C ATOM 1470 O GLY B 31 -13.397 5.278 3.982 1.00 0.35 O ATOM 0 H GLY B 31 -13.032 7.082 0.882 1.00 0.26 H new ATOM 0 HA2 GLY B 31 -12.372 7.953 3.611 1.00 0.26 H new ATOM 0 HA3 GLY B 31 -14.053 7.657 3.213 1.00 0.26 H new ATOM 1474 N ASP B 32 -11.964 5.382 2.243 1.00 0.27 N ATOM 1475 CA ASP B 32 -11.559 3.989 2.300 1.00 0.29 C ATOM 1476 C ASP B 32 -10.451 3.808 3.312 1.00 0.26 C ATOM 1477 O ASP B 32 -9.404 4.450 3.236 1.00 0.29 O ATOM 1478 CB ASP B 32 -11.080 3.516 0.927 1.00 0.35 C ATOM 1479 CG ASP B 32 -10.385 2.170 0.966 1.00 0.41 C ATOM 1480 OD1 ASP B 32 -10.965 1.219 1.528 1.00 1.29 O ATOM 1481 OD2 ASP B 32 -9.280 2.064 0.399 1.00 1.07 O ATOM 0 H ASP B 32 -11.540 5.905 1.477 1.00 0.27 H new ATOM 0 HA ASP B 32 -12.421 3.393 2.601 1.00 0.29 H new ATOM 0 HB2 ASP B 32 -11.934 3.457 0.252 1.00 0.35 H new ATOM 0 HB3 ASP B 32 -10.397 4.258 0.513 1.00 0.35 H new ATOM 1486 N PRO B 33 -10.683 2.966 4.299 1.00 0.21 N ATOM 1487 CA PRO B 33 -9.669 2.599 5.243 1.00 0.24 C ATOM 1488 C PRO B 33 -8.806 1.496 4.686 1.00 0.41 C ATOM 1489 O PRO B 33 -9.267 0.677 3.917 1.00 1.10 O ATOM 1490 CB PRO B 33 -10.443 2.110 6.464 1.00 0.19 C ATOM 1491 CG PRO B 33 -11.880 1.999 6.038 1.00 0.12 C ATOM 1492 CD PRO B 33 -11.942 2.282 4.557 1.00 0.20 C ATOM 0 HA PRO B 33 -9.001 3.427 5.480 1.00 0.24 H new ATOM 0 HB2 PRO B 33 -10.063 1.147 6.805 1.00 0.19 H new ATOM 0 HB3 PRO B 33 -10.337 2.806 7.296 1.00 0.19 H new ATOM 0 HG2 PRO B 33 -12.267 1.003 6.254 1.00 0.12 H new ATOM 0 HG3 PRO B 33 -12.498 2.708 6.589 1.00 0.12 H new ATOM 0 HD2 PRO B 33 -12.029 1.365 3.975 1.00 0.20 H new ATOM 0 HD3 PRO B 33 -12.799 2.905 4.301 1.00 0.20 H new ATOM 1500 N LEU B 34 -7.551 1.495 5.037 1.00 0.25 N ATOM 1501 CA LEU B 34 -6.692 0.404 4.667 1.00 0.19 C ATOM 1502 C LEU B 34 -5.818 0.033 5.832 1.00 0.19 C ATOM 1503 O LEU B 34 -5.429 0.875 6.611 1.00 0.22 O ATOM 1504 CB LEU B 34 -5.818 0.763 3.466 1.00 0.19 C ATOM 1505 CG LEU B 34 -6.541 1.490 2.339 1.00 0.27 C ATOM 1506 CD1 LEU B 34 -6.070 2.932 2.248 1.00 0.32 C ATOM 1507 CD2 LEU B 34 -6.336 0.770 1.015 1.00 0.44 C ATOM 0 H LEU B 34 -7.101 2.234 5.577 1.00 0.25 H new ATOM 0 HA LEU B 34 -7.321 -0.441 4.388 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -4.992 1.386 3.810 1.00 0.19 H new ATOM 0 HB3 LEU B 34 -5.381 -0.152 3.067 1.00 0.19 H new ATOM 0 HG LEU B 34 -7.608 1.492 2.560 1.00 0.27 H new ATOM 0 HD11 LEU B 34 -6.597 3.436 1.438 1.00 0.32 H new ATOM 0 HD12 LEU B 34 -6.277 3.442 3.189 1.00 0.32 H new ATOM 0 HD13 LEU B 34 -4.998 2.953 2.052 1.00 0.32 H new ATOM 0 HD21 LEU B 34 -6.861 1.306 0.224 1.00 0.44 H new ATOM 0 HD22 LEU B 34 -5.272 0.731 0.783 1.00 0.44 H new ATOM 0 HD23 LEU B 34 -6.728 -0.244 1.088 1.00 0.44 H new ATOM 1519 N GLU B 35 -5.478 -1.217 5.897 1.00 0.18 N ATOM 1520 CA GLU B 35 -4.626 -1.699 6.947 1.00 0.17 C ATOM 1521 C GLU B 35 -3.258 -1.853 6.371 1.00 0.13 C ATOM 1522 O GLU B 35 -3.070 -2.687 5.501 1.00 0.12 O ATOM 1523 CB GLU B 35 -5.109 -3.020 7.526 1.00 0.20 C ATOM 1524 CG GLU B 35 -4.245 -3.526 8.669 1.00 0.21 C ATOM 1525 CD GLU B 35 -4.763 -4.820 9.249 1.00 0.28 C ATOM 1526 OE1 GLU B 35 -5.976 -4.908 9.517 1.00 1.09 O ATOM 1527 OE2 GLU B 35 -3.972 -5.771 9.399 1.00 1.10 O ATOM 0 H GLU B 35 -5.779 -1.929 5.231 1.00 0.18 H new ATOM 0 HA GLU B 35 -4.632 -0.987 7.772 1.00 0.17 H new ATOM 0 HB2 GLU B 35 -6.133 -2.901 7.879 1.00 0.20 H new ATOM 0 HB3 GLU B 35 -5.129 -3.770 6.735 1.00 0.20 H new ATOM 0 HG2 GLU B 35 -3.225 -3.672 8.313 1.00 0.21 H new ATOM 0 HG3 GLU B 35 -4.204 -2.770 9.453 1.00 0.21 H new ATOM 1534 N ILE B 36 -2.336 -1.012 6.810 1.00 0.12 N ATOM 1535 CA ILE B 36 -0.972 -1.038 6.338 1.00 0.11 C ATOM 1536 C ILE B 36 -0.193 -2.059 7.147 1.00 0.11 C ATOM 1537 O ILE B 36 0.059 -1.863 8.340 1.00 0.14 O ATOM 1538 CB ILE B 36 -0.298 0.358 6.480 1.00 0.13 C ATOM 1539 CG1 ILE B 36 -0.850 1.361 5.453 1.00 0.15 C ATOM 1540 CG2 ILE B 36 1.214 0.252 6.346 1.00 0.17 C ATOM 1541 CD1 ILE B 36 -2.232 1.895 5.760 1.00 0.62 C ATOM 0 H ILE B 36 -2.519 -0.291 7.507 1.00 0.12 H new ATOM 0 HA ILE B 36 -0.973 -1.307 5.282 1.00 0.11 H new ATOM 0 HB ILE B 36 -0.536 0.728 7.477 1.00 0.13 H new ATOM 0 HG12 ILE B 36 -0.160 2.202 5.381 1.00 0.15 H new ATOM 0 HG13 ILE B 36 -0.871 0.881 4.474 1.00 0.15 H new ATOM 0 HG21 ILE B 36 1.659 1.242 6.449 1.00 0.17 H new ATOM 0 HG22 ILE B 36 1.603 -0.404 7.125 1.00 0.17 H new ATOM 0 HG23 ILE B 36 1.465 -0.158 5.368 1.00 0.17 H new ATOM 0 HD11 ILE B 36 -2.534 2.594 4.980 1.00 0.62 H new ATOM 0 HD12 ILE B 36 -2.941 1.068 5.801 1.00 0.62 H new ATOM 0 HD13 ILE B 36 -2.218 2.409 6.721 1.00 0.62 H new ATOM 1553 N PHE B 37 0.131 -3.167 6.518 1.00 0.10 N ATOM 1554 CA PHE B 37 0.930 -4.186 7.159 1.00 0.11 C ATOM 1555 C PHE B 37 1.743 -4.935 6.118 1.00 0.10 C ATOM 1556 O PHE B 37 1.210 -5.396 5.120 1.00 0.10 O ATOM 1557 CB PHE B 37 0.041 -5.118 7.999 1.00 0.12 C ATOM 1558 CG PHE B 37 -0.634 -6.240 7.249 1.00 0.21 C ATOM 1559 CD1 PHE B 37 -1.889 -6.064 6.690 1.00 1.09 C ATOM 1560 CD2 PHE B 37 -0.016 -7.476 7.119 1.00 1.16 C ATOM 1561 CE1 PHE B 37 -2.510 -7.095 6.014 1.00 1.14 C ATOM 1562 CE2 PHE B 37 -0.635 -8.510 6.445 1.00 1.20 C ATOM 1563 CZ PHE B 37 -1.884 -8.319 5.891 1.00 0.49 C ATOM 0 H PHE B 37 -0.148 -3.385 5.561 1.00 0.10 H new ATOM 0 HA PHE B 37 1.634 -3.720 7.848 1.00 0.11 H new ATOM 0 HB2 PHE B 37 0.650 -5.552 8.792 1.00 0.12 H new ATOM 0 HB3 PHE B 37 -0.728 -4.516 8.482 1.00 0.12 H new ATOM 0 HD1 PHE B 37 -2.387 -5.110 6.784 1.00 1.09 H new ATOM 0 HD2 PHE B 37 0.962 -7.631 7.551 1.00 1.16 H new ATOM 0 HE1 PHE B 37 -3.488 -6.944 5.581 1.00 1.14 H new ATOM 0 HE2 PHE B 37 -0.142 -9.467 6.352 1.00 1.20 H new ATOM 0 HZ PHE B 37 -2.371 -9.125 5.362 1.00 0.49 H new ATOM 1573 N VAL B 38 3.037 -5.024 6.338 1.00 0.10 N ATOM 1574 CA VAL B 38 3.920 -5.672 5.382 1.00 0.10 C ATOM 1575 C VAL B 38 3.855 -7.181 5.534 1.00 0.13 C ATOM 1576 O VAL B 38 3.675 -7.688 6.635 1.00 0.20 O ATOM 1577 CB VAL B 38 5.380 -5.157 5.522 1.00 0.13 C ATOM 1578 CG1 VAL B 38 5.791 -5.065 6.987 1.00 0.18 C ATOM 1579 CG2 VAL B 38 6.367 -6.032 4.747 1.00 0.17 C ATOM 0 H VAL B 38 3.504 -4.658 7.168 1.00 0.10 H new ATOM 0 HA VAL B 38 3.578 -5.415 4.379 1.00 0.10 H new ATOM 0 HB VAL B 38 5.409 -4.157 5.090 1.00 0.13 H new ATOM 0 HG11 VAL B 38 6.817 -4.702 7.055 1.00 0.18 H new ATOM 0 HG12 VAL B 38 5.127 -4.376 7.509 1.00 0.18 H new ATOM 0 HG13 VAL B 38 5.724 -6.051 7.446 1.00 0.18 H new ATOM 0 HG21 VAL B 38 7.376 -5.639 4.870 1.00 0.17 H new ATOM 0 HG22 VAL B 38 6.326 -7.052 5.128 1.00 0.17 H new ATOM 0 HG23 VAL B 38 6.103 -6.029 3.689 1.00 0.17 H new ATOM 1589 N ASP B 39 3.975 -7.874 4.410 1.00 0.14 N ATOM 1590 CA ASP B 39 3.841 -9.326 4.363 1.00 0.19 C ATOM 1591 C ASP B 39 5.139 -10.014 4.756 1.00 0.42 C ATOM 1592 O ASP B 39 5.139 -10.948 5.560 1.00 1.05 O ATOM 1593 CB ASP B 39 3.451 -9.769 2.954 1.00 0.26 C ATOM 1594 CG ASP B 39 3.038 -11.228 2.900 1.00 0.32 C ATOM 1595 OD1 ASP B 39 1.869 -11.530 3.205 1.00 1.13 O ATOM 1596 OD2 ASP B 39 3.878 -12.083 2.547 1.00 1.14 O ATOM 0 H ASP B 39 4.168 -7.447 3.504 1.00 0.14 H new ATOM 0 HA ASP B 39 3.065 -9.610 5.073 1.00 0.19 H new ATOM 0 HB2 ASP B 39 2.630 -9.148 2.595 1.00 0.26 H new ATOM 0 HB3 ASP B 39 4.292 -9.607 2.279 1.00 0.26 H new ATOM 1601 N ARG B 40 6.250 -9.562 4.182 1.00 0.46 N ATOM 1602 CA ARG B 40 7.527 -10.208 4.438 1.00 0.54 C ATOM 1603 C ARG B 40 8.700 -9.228 4.479 1.00 0.52 C ATOM 1604 O ARG B 40 9.161 -8.853 5.555 1.00 0.59 O ATOM 1605 CB ARG B 40 7.786 -11.315 3.418 1.00 0.65 C ATOM 1606 CG ARG B 40 7.452 -10.929 1.993 1.00 0.75 C ATOM 1607 CD ARG B 40 6.649 -12.017 1.316 1.00 0.77 C ATOM 1608 NE ARG B 40 6.462 -11.769 -0.110 1.00 1.29 N ATOM 1609 CZ ARG B 40 5.321 -11.970 -0.759 1.00 2.04 C ATOM 1610 NH1 ARG B 40 4.220 -12.274 -0.086 1.00 2.59 N ATOM 1611 NH2 ARG B 40 5.276 -11.826 -2.079 1.00 2.71 N ATOM 0 H ARG B 40 6.290 -8.764 3.547 1.00 0.46 H new ATOM 0 HA ARG B 40 7.456 -10.647 5.433 1.00 0.54 H new ATOM 0 HB2 ARG B 40 8.836 -11.604 3.469 1.00 0.65 H new ATOM 0 HB3 ARG B 40 7.201 -12.192 3.693 1.00 0.65 H new ATOM 0 HG2 ARG B 40 6.887 -9.997 1.987 1.00 0.75 H new ATOM 0 HG3 ARG B 40 8.371 -10.749 1.435 1.00 0.75 H new ATOM 0 HD2 ARG B 40 7.153 -12.974 1.452 1.00 0.77 H new ATOM 0 HD3 ARG B 40 5.675 -12.098 1.798 1.00 0.77 H new ATOM 0 HE ARG B 40 7.259 -11.419 -0.642 1.00 1.29 H new ATOM 0 HH11 ARG B 40 4.249 -12.354 0.930 1.00 2.59 H new ATOM 0 HH12 ARG B 40 3.344 -12.428 -0.585 1.00 2.59 H new ATOM 0 HH21 ARG B 40 6.117 -11.562 -2.592 1.00 2.71 H new ATOM 0 HH22 ARG B 40 4.401 -11.980 -2.579 1.00 2.71 H new ATOM 1625 N ASP B 41 9.177 -8.806 3.318 1.00 0.53 N ATOM 1626 CA ASP B 41 10.405 -8.028 3.237 1.00 0.56 C ATOM 1627 C ASP B 41 10.117 -6.543 3.145 1.00 0.48 C ATOM 1628 O ASP B 41 10.456 -5.772 4.047 1.00 0.59 O ATOM 1629 CB ASP B 41 11.218 -8.470 2.024 1.00 0.59 C ATOM 1630 CG ASP B 41 12.456 -7.610 1.818 1.00 0.62 C ATOM 1631 OD1 ASP B 41 13.346 -7.615 2.695 1.00 1.18 O ATOM 1632 OD2 ASP B 41 12.544 -6.918 0.785 1.00 1.32 O ATOM 0 H ASP B 41 8.733 -8.989 2.418 1.00 0.53 H new ATOM 0 HA ASP B 41 10.975 -8.206 4.149 1.00 0.56 H new ATOM 0 HB2 ASP B 41 11.517 -9.511 2.149 1.00 0.59 H new ATOM 0 HB3 ASP B 41 10.592 -8.423 1.133 1.00 0.59 H new ATOM 1637 N GLY B 42 9.500 -6.149 2.053 1.00 0.34 N ATOM 1638 CA GLY B 42 9.207 -4.754 1.833 1.00 0.26 C ATOM 1639 C GLY B 42 7.909 -4.569 1.092 1.00 0.18 C ATOM 1640 O GLY B 42 7.645 -3.507 0.540 1.00 0.17 O ATOM 0 H GLY B 42 9.193 -6.774 1.307 1.00 0.34 H new ATOM 0 HA2 GLY B 42 9.156 -4.237 2.791 1.00 0.26 H new ATOM 0 HA3 GLY B 42 10.018 -4.296 1.267 1.00 0.26 H new ATOM 1644 N GLU B 43 7.104 -5.616 1.077 1.00 0.15 N ATOM 1645 CA GLU B 43 5.796 -5.556 0.465 1.00 0.12 C ATOM 1646 C GLU B 43 4.761 -5.167 1.501 1.00 0.09 C ATOM 1647 O GLU B 43 4.431 -5.956 2.383 1.00 0.09 O ATOM 1648 CB GLU B 43 5.404 -6.890 -0.177 1.00 0.16 C ATOM 1649 CG GLU B 43 6.113 -8.109 0.395 1.00 0.57 C ATOM 1650 CD GLU B 43 7.500 -8.298 -0.171 1.00 1.17 C ATOM 1651 OE1 GLU B 43 7.622 -8.611 -1.372 1.00 2.07 O ATOM 1652 OE2 GLU B 43 8.467 -8.139 0.596 1.00 1.65 O ATOM 0 H GLU B 43 7.338 -6.521 1.485 1.00 0.15 H new ATOM 0 HA GLU B 43 5.835 -4.804 -0.323 1.00 0.12 H new ATOM 0 HB2 GLU B 43 4.328 -7.028 -0.066 1.00 0.16 H new ATOM 0 HB3 GLU B 43 5.610 -6.836 -1.246 1.00 0.16 H new ATOM 0 HG2 GLU B 43 6.178 -8.011 1.479 1.00 0.57 H new ATOM 0 HG3 GLU B 43 5.518 -8.999 0.191 1.00 0.57 H new ATOM 1659 N VAL B 44 4.273 -3.945 1.411 1.00 0.08 N ATOM 1660 CA VAL B 44 3.278 -3.472 2.354 1.00 0.07 C ATOM 1661 C VAL B 44 1.897 -3.798 1.837 1.00 0.07 C ATOM 1662 O VAL B 44 1.578 -3.525 0.693 1.00 0.08 O ATOM 1663 CB VAL B 44 3.348 -1.957 2.592 1.00 0.09 C ATOM 1664 CG1 VAL B 44 2.732 -1.616 3.939 1.00 0.10 C ATOM 1665 CG2 VAL B 44 4.777 -1.445 2.496 1.00 0.13 C ATOM 0 H VAL B 44 4.546 -3.266 0.700 1.00 0.08 H new ATOM 0 HA VAL B 44 3.484 -3.974 3.299 1.00 0.07 H new ATOM 0 HB VAL B 44 2.776 -1.458 1.810 1.00 0.09 H new ATOM 0 HG11 VAL B 44 2.785 -0.539 4.101 1.00 0.10 H new ATOM 0 HG12 VAL B 44 1.690 -1.934 3.953 1.00 0.10 H new ATOM 0 HG13 VAL B 44 3.279 -2.130 4.730 1.00 0.10 H new ATOM 0 HG21 VAL B 44 4.790 -0.369 2.670 1.00 0.13 H new ATOM 0 HG22 VAL B 44 5.392 -1.941 3.246 1.00 0.13 H new ATOM 0 HG23 VAL B 44 5.174 -1.657 1.503 1.00 0.13 H new ATOM 1675 N ILE B 45 1.083 -4.362 2.684 1.00 0.07 N ATOM 1676 CA ILE B 45 -0.252 -4.755 2.300 1.00 0.08 C ATOM 1677 C ILE B 45 -1.227 -3.789 2.937 1.00 0.09 C ATOM 1678 O ILE B 45 -1.211 -3.615 4.147 1.00 0.11 O ATOM 1679 CB ILE B 45 -0.584 -6.196 2.745 1.00 0.10 C ATOM 1680 CG1 ILE B 45 0.161 -7.223 1.877 1.00 0.10 C ATOM 1681 CG2 ILE B 45 -2.091 -6.446 2.695 1.00 0.12 C ATOM 1682 CD1 ILE B 45 1.667 -7.124 1.917 1.00 0.09 C ATOM 0 H ILE B 45 1.320 -4.563 3.655 1.00 0.07 H new ATOM 0 HA ILE B 45 -0.325 -4.730 1.213 1.00 0.08 H new ATOM 0 HB ILE B 45 -0.251 -6.314 3.776 1.00 0.10 H new ATOM 0 HG12 ILE B 45 -0.130 -8.224 2.195 1.00 0.10 H new ATOM 0 HG13 ILE B 45 -0.168 -7.109 0.844 1.00 0.10 H new ATOM 0 HG21 ILE B 45 -2.301 -7.467 3.013 1.00 0.12 H new ATOM 0 HG22 ILE B 45 -2.598 -5.747 3.361 1.00 0.12 H new ATOM 0 HG23 ILE B 45 -2.450 -6.302 1.676 1.00 0.12 H new ATOM 0 HD11 ILE B 45 2.099 -7.890 1.273 1.00 0.09 H new ATOM 0 HD12 ILE B 45 1.976 -6.139 1.567 1.00 0.09 H new ATOM 0 HD13 ILE B 45 2.014 -7.271 2.940 1.00 0.09 H new ATOM 1694 N LEU B 46 -2.004 -3.114 2.113 1.00 0.09 N ATOM 1695 CA LEU B 46 -3.030 -2.185 2.576 1.00 0.10 C ATOM 1696 C LEU B 46 -4.399 -2.770 2.304 1.00 0.11 C ATOM 1697 O LEU B 46 -4.763 -2.961 1.153 1.00 0.11 O ATOM 1698 CB LEU B 46 -2.894 -0.875 1.808 1.00 0.11 C ATOM 1699 CG LEU B 46 -1.476 -0.583 1.356 1.00 0.10 C ATOM 1700 CD1 LEU B 46 -1.480 0.431 0.227 1.00 0.15 C ATOM 1701 CD2 LEU B 46 -0.633 -0.090 2.518 1.00 0.13 C ATOM 0 H LEU B 46 -1.945 -3.191 1.098 1.00 0.09 H new ATOM 0 HA LEU B 46 -2.910 -2.010 3.645 1.00 0.10 H new ATOM 0 HB2 LEU B 46 -3.546 -0.905 0.935 1.00 0.11 H new ATOM 0 HB3 LEU B 46 -3.242 -0.056 2.438 1.00 0.11 H new ATOM 0 HG LEU B 46 -1.034 -1.508 0.987 1.00 0.10 H new ATOM 0 HD11 LEU B 46 -0.455 0.630 -0.087 1.00 0.15 H new ATOM 0 HD12 LEU B 46 -2.047 0.035 -0.616 1.00 0.15 H new ATOM 0 HD13 LEU B 46 -1.941 1.357 0.571 1.00 0.15 H new ATOM 0 HD21 LEU B 46 0.380 0.113 2.172 1.00 0.13 H new ATOM 0 HD22 LEU B 46 -1.069 0.824 2.922 1.00 0.13 H new ATOM 0 HD23 LEU B 46 -0.604 -0.853 3.296 1.00 0.13 H new ATOM 1713 N LYS B 47 -5.167 -3.043 3.340 1.00 0.12 N ATOM 1714 CA LYS B 47 -6.473 -3.654 3.121 1.00 0.16 C ATOM 1715 C LYS B 47 -7.612 -2.896 3.805 1.00 0.14 C ATOM 1716 O LYS B 47 -7.480 -2.439 4.926 1.00 0.14 O ATOM 1717 CB LYS B 47 -6.408 -5.137 3.499 1.00 0.22 C ATOM 1718 CG LYS B 47 -7.526 -5.647 4.385 1.00 0.24 C ATOM 1719 CD LYS B 47 -7.169 -5.532 5.856 1.00 0.40 C ATOM 1720 CE LYS B 47 -5.781 -6.088 6.137 1.00 0.52 C ATOM 1721 NZ LYS B 47 -5.709 -6.811 7.439 1.00 0.95 N ATOM 0 H LYS B 47 -4.925 -2.861 4.314 1.00 0.12 H new ATOM 0 HA LYS B 47 -6.716 -3.587 2.061 1.00 0.16 H new ATOM 0 HB2 LYS B 47 -6.402 -5.725 2.581 1.00 0.22 H new ATOM 0 HB3 LYS B 47 -5.459 -5.322 4.003 1.00 0.22 H new ATOM 0 HG2 LYS B 47 -8.436 -5.081 4.185 1.00 0.24 H new ATOM 0 HG3 LYS B 47 -7.738 -6.688 4.142 1.00 0.24 H new ATOM 0 HD2 LYS B 47 -7.212 -4.487 6.161 1.00 0.40 H new ATOM 0 HD3 LYS B 47 -7.905 -6.069 6.453 1.00 0.40 H new ATOM 0 HE2 LYS B 47 -5.495 -6.765 5.332 1.00 0.52 H new ATOM 0 HE3 LYS B 47 -5.059 -5.271 6.138 1.00 0.52 H new ATOM 0 HZ1 LYS B 47 -4.733 -6.784 7.797 1.00 0.95 H new ATOM 0 HZ2 LYS B 47 -6.342 -6.354 8.125 1.00 0.95 H new ATOM 0 HZ3 LYS B 47 -6.001 -7.800 7.304 1.00 0.95 H new ATOM 1735 N LYS B 48 -8.737 -2.845 3.092 1.00 0.17 N ATOM 1736 CA LYS B 48 -9.897 -1.958 3.348 1.00 0.17 C ATOM 1737 C LYS B 48 -10.377 -1.790 4.803 1.00 0.13 C ATOM 1738 O LYS B 48 -11.214 -0.928 5.062 1.00 0.16 O ATOM 1739 CB LYS B 48 -11.054 -2.456 2.520 1.00 0.22 C ATOM 1740 CG LYS B 48 -11.121 -3.966 2.490 1.00 0.24 C ATOM 1741 CD LYS B 48 -11.591 -4.464 1.143 1.00 0.35 C ATOM 1742 CE LYS B 48 -13.041 -4.106 0.887 1.00 0.43 C ATOM 1743 NZ LYS B 48 -13.564 -4.792 -0.323 1.00 0.64 N ATOM 0 H LYS B 48 -8.882 -3.445 2.280 1.00 0.17 H new ATOM 0 HA LYS B 48 -9.538 -0.965 3.079 1.00 0.17 H new ATOM 0 HB2 LYS B 48 -11.986 -2.060 2.924 1.00 0.22 H new ATOM 0 HB3 LYS B 48 -10.961 -2.077 1.502 1.00 0.22 H new ATOM 0 HG2 LYS B 48 -10.138 -4.381 2.712 1.00 0.24 H new ATOM 0 HG3 LYS B 48 -11.798 -4.318 3.268 1.00 0.24 H new ATOM 0 HD2 LYS B 48 -10.967 -4.036 0.359 1.00 0.35 H new ATOM 0 HD3 LYS B 48 -11.469 -5.546 1.092 1.00 0.35 H new ATOM 0 HE2 LYS B 48 -13.644 -4.382 1.752 1.00 0.43 H new ATOM 0 HE3 LYS B 48 -13.135 -3.027 0.764 1.00 0.43 H new ATOM 0 HZ1 LYS B 48 -14.518 -5.157 -0.130 1.00 0.64 H new ATOM 0 HZ2 LYS B 48 -13.605 -4.118 -1.114 1.00 0.64 H new ATOM 0 HZ3 LYS B 48 -12.935 -5.582 -0.573 1.00 0.64 H new ATOM 1757 N TYR B 49 -9.917 -2.626 5.721 1.00 0.13 N ATOM 1758 CA TYR B 49 -10.189 -2.457 7.161 1.00 0.15 C ATOM 1759 C TYR B 49 -11.641 -2.769 7.547 1.00 0.18 C ATOM 1760 O TYR B 49 -11.884 -3.577 8.440 1.00 0.25 O ATOM 1761 CB TYR B 49 -9.871 -1.045 7.633 1.00 0.19 C ATOM 1762 CG TYR B 49 -10.157 -0.836 9.109 1.00 0.31 C ATOM 1763 CD1 TYR B 49 -9.702 -1.745 10.057 1.00 1.18 C ATOM 1764 CD2 TYR B 49 -10.886 0.261 9.552 1.00 1.14 C ATOM 1765 CE1 TYR B 49 -9.961 -1.567 11.400 1.00 1.26 C ATOM 1766 CE2 TYR B 49 -11.147 0.446 10.896 1.00 1.19 C ATOM 1767 CZ TYR B 49 -10.681 -0.472 11.816 1.00 0.62 C ATOM 1768 OH TYR B 49 -10.937 -0.293 13.156 1.00 0.79 O ATOM 0 H TYR B 49 -9.345 -3.442 5.501 1.00 0.13 H new ATOM 0 HA TYR B 49 -9.535 -3.178 7.651 1.00 0.15 H new ATOM 0 HB2 TYR B 49 -8.820 -0.830 7.438 1.00 0.19 H new ATOM 0 HB3 TYR B 49 -10.455 -0.333 7.051 1.00 0.19 H new ATOM 0 HD1 TYR B 49 -9.135 -2.607 9.736 1.00 1.18 H new ATOM 0 HD2 TYR B 49 -11.254 0.980 8.835 1.00 1.14 H new ATOM 0 HE1 TYR B 49 -9.600 -2.285 12.122 1.00 1.26 H new ATOM 0 HE2 TYR B 49 -11.713 1.305 11.225 1.00 1.19 H new ATOM 0 HH TYR B 49 -11.456 0.529 13.283 1.00 0.79 H new ATOM 1778 N SER B 50 -12.587 -2.089 6.898 1.00 0.20 N ATOM 1779 CA SER B 50 -14.009 -2.199 7.224 1.00 0.28 C ATOM 1780 C SER B 50 -14.454 -3.667 7.268 1.00 0.29 C ATOM 1781 O SER B 50 -14.956 -4.125 8.293 1.00 0.35 O ATOM 1782 CB SER B 50 -14.841 -1.380 6.222 1.00 0.39 C ATOM 1783 OG SER B 50 -16.226 -1.391 6.539 1.00 1.22 O ATOM 0 H SER B 50 -12.389 -1.446 6.131 1.00 0.20 H new ATOM 0 HA SER B 50 -14.175 -1.788 8.220 1.00 0.28 H new ATOM 0 HB2 SER B 50 -14.481 -0.351 6.209 1.00 0.39 H new ATOM 0 HB3 SER B 50 -14.696 -1.781 5.219 1.00 0.39 H new ATOM 0 HG SER B 50 -16.717 -0.858 5.879 1.00 1.22 H new ATOM 1789 N PRO B 51 -14.270 -4.438 6.177 1.00 0.34 N ATOM 1790 CA PRO B 51 -14.488 -5.880 6.204 1.00 0.43 C ATOM 1791 C PRO B 51 -13.223 -6.619 6.591 1.00 0.45 C ATOM 1792 O PRO B 51 -13.125 -7.839 6.444 1.00 0.56 O ATOM 1793 CB PRO B 51 -14.827 -6.187 4.764 1.00 0.52 C ATOM 1794 CG PRO B 51 -13.975 -5.241 3.992 1.00 0.47 C ATOM 1795 CD PRO B 51 -13.876 -3.989 4.824 1.00 0.41 C ATOM 0 HA PRO B 51 -15.251 -6.179 6.923 1.00 0.43 H new ATOM 0 HB2 PRO B 51 -14.604 -7.224 4.512 1.00 0.52 H new ATOM 0 HB3 PRO B 51 -15.886 -6.030 4.560 1.00 0.52 H new ATOM 0 HG2 PRO B 51 -12.988 -5.666 3.810 1.00 0.47 H new ATOM 0 HG3 PRO B 51 -14.415 -5.027 3.018 1.00 0.47 H new ATOM 0 HD2 PRO B 51 -12.865 -3.581 4.816 1.00 0.41 H new ATOM 0 HD3 PRO B 51 -14.538 -3.207 4.452 1.00 0.41 H new ATOM 1803 N ILE B 52 -12.263 -5.858 7.097 1.00 0.37 N ATOM 1804 CA ILE B 52 -10.936 -6.363 7.379 1.00 0.45 C ATOM 1805 C ILE B 52 -10.376 -6.982 6.109 1.00 0.57 C ATOM 1806 O ILE B 52 -10.466 -6.375 5.039 1.00 0.57 O ATOM 1807 CB ILE B 52 -10.964 -7.365 8.551 1.00 0.60 C ATOM 1808 CG1 ILE B 52 -12.024 -6.919 9.554 1.00 0.50 C ATOM 1809 CG2 ILE B 52 -9.597 -7.421 9.231 1.00 0.73 C ATOM 1810 CD1 ILE B 52 -12.157 -7.822 10.761 1.00 0.70 C ATOM 0 H ILE B 52 -12.387 -4.871 7.322 1.00 0.37 H new ATOM 0 HA ILE B 52 -10.284 -5.547 7.691 1.00 0.45 H new ATOM 0 HB ILE B 52 -11.204 -8.360 8.175 1.00 0.60 H new ATOM 0 HG12 ILE B 52 -11.785 -5.911 9.893 1.00 0.50 H new ATOM 0 HG13 ILE B 52 -12.987 -6.865 9.047 1.00 0.50 H new ATOM 0 HG21 ILE B 52 -9.630 -8.132 10.057 1.00 0.73 H new ATOM 0 HG22 ILE B 52 -8.844 -7.738 8.509 1.00 0.73 H new ATOM 0 HG23 ILE B 52 -9.340 -6.433 9.613 1.00 0.73 H new ATOM 0 HD11 ILE B 52 -12.931 -7.433 11.423 1.00 0.70 H new ATOM 0 HD12 ILE B 52 -12.428 -8.826 10.436 1.00 0.70 H new ATOM 0 HD13 ILE B 52 -11.208 -7.858 11.295 1.00 0.70 H new