USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 MET CE :methyl -131:sc= -3.99! (180deg=-4.46!) USER MOD Set 1.2: A 112 MET CE :methyl -165:sc= -0.691 (180deg=-1.11) USER MOD Set 2.1: A 54 ASN : amide:sc= -5.97! C(o=-7!,f=-14!) USER MOD Set 2.2: A 58 ASN : amide:sc= -1.03 K(o=-7,f=-13!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.77 X(o=-0.77,f=-0.31) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 36:sc= -3.98! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -54:sc= -0.527! USER MOD Single : A 29 ASN : amide:sc= 0.123 K(o=0.12,f=-3.8!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 43 GLN : amide:sc= -2.08 K(o=-2.1,f=-6.9!) USER MOD Single : A 47 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 57 SER OG : rot 161:sc= 1.05 USER MOD Single : A 64 THR OG1 : rot 117:sc= 0.013 USER MOD Single : A 71 GLN : amide:sc= -3.51! C(o=-3.5!,f=-2.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0326 (180deg=-0.306) USER MOD Single : A 90 GLN : amide:sc= -1.02! K(o=-1!,f=-0.092) USER MOD Single : A 95 SER OG : rot 72:sc= -1.1! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 175:sc= 0.867 (180deg=0.784) USER MOD Single : A 109 HIS : no HE2:sc= -8.07! C(o=-8.1!,f=-6.9!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.953 K(o=-0.95,f=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -15.625 -3.123 6.864 1.00 51.40 N ATOM 51 CA ILE A 4 -14.550 -2.654 5.979 1.00 15.12 C ATOM 52 C ILE A 4 -14.543 -1.127 5.847 1.00 71.22 C ATOM 53 O ILE A 4 -15.172 -0.418 6.637 1.00 32.24 O ATOM 54 CB ILE A 4 -14.575 -3.328 4.570 1.00 23.45 C ATOM 55 CG1 ILE A 4 -15.736 -2.829 3.702 1.00 35.42 C ATOM 56 CG2 ILE A 4 -14.642 -4.842 4.717 1.00 11.04 C ATOM 57 CD1 ILE A 4 -15.744 -3.399 2.299 1.00 53.10 C ATOM 0 HA ILE A 4 -13.622 -2.961 6.461 1.00 15.12 H new ATOM 0 HB ILE A 4 -13.652 -3.049 4.062 1.00 23.45 H new ATOM 0 HG12 ILE A 4 -16.677 -3.081 4.191 1.00 35.42 H new ATOM 0 HG13 ILE A 4 -15.690 -1.742 3.641 1.00 35.42 H new ATOM 0 HG21 ILE A 4 -14.659 -5.303 3.729 1.00 11.04 H new ATOM 0 HG22 ILE A 4 -13.769 -5.193 5.266 1.00 11.04 H new ATOM 0 HG23 ILE A 4 -15.546 -5.115 5.261 1.00 11.04 H new ATOM 0 HD11 ILE A 4 -16.595 -2.998 1.748 1.00 53.10 H new ATOM 0 HD12 ILE A 4 -14.820 -3.125 1.790 1.00 53.10 H new ATOM 0 HD13 ILE A 4 -15.823 -4.485 2.348 1.00 53.10 H new ATOM 69 N ASP A 5 -13.801 -0.622 4.874 1.00 62.04 N ATOM 70 CA ASP A 5 -13.684 0.815 4.670 1.00 2.33 C ATOM 71 C ASP A 5 -14.192 1.199 3.293 1.00 45.41 C ATOM 72 O ASP A 5 -14.016 0.453 2.329 1.00 71.54 O ATOM 73 CB ASP A 5 -12.231 1.275 4.840 1.00 73.13 C ATOM 74 CG ASP A 5 -11.747 1.152 6.271 1.00 55.55 C ATOM 75 OD1 ASP A 5 -12.059 2.047 7.087 1.00 45.22 O ATOM 76 OD2 ASP A 5 -11.061 0.161 6.592 1.00 54.22 O ATOM 0 H ASP A 5 -13.269 -1.187 4.211 1.00 62.04 H new ATOM 0 HA ASP A 5 -14.295 1.313 5.423 1.00 2.33 H new ATOM 0 HB2 ASP A 5 -11.587 0.682 4.190 1.00 73.13 H new ATOM 0 HB3 ASP A 5 -12.142 2.312 4.517 1.00 73.13 H new ATOM 81 N ASP A 6 -14.836 2.353 3.211 1.00 3.35 N ATOM 82 CA ASP A 6 -15.345 2.860 1.942 1.00 62.03 C ATOM 83 C ASP A 6 -14.238 3.615 1.215 1.00 71.33 C ATOM 84 O ASP A 6 -13.195 3.908 1.799 1.00 21.15 O ATOM 85 CB ASP A 6 -16.555 3.774 2.176 1.00 74.31 C ATOM 86 CG ASP A 6 -17.307 4.100 0.895 1.00 25.42 C ATOM 87 OD1 ASP A 6 -16.967 5.102 0.232 1.00 25.40 O ATOM 88 OD2 ASP A 6 -18.240 3.352 0.546 1.00 4.20 O ATOM 0 H ASP A 6 -15.020 2.959 4.010 1.00 3.35 H new ATOM 0 HA ASP A 6 -15.668 2.021 1.326 1.00 62.03 H new ATOM 0 HB2 ASP A 6 -17.236 3.294 2.879 1.00 74.31 H new ATOM 0 HB3 ASP A 6 -16.219 4.701 2.640 1.00 74.31 H new ATOM 93 N TYR A 7 -14.463 3.938 -0.050 1.00 51.24 N ATOM 94 CA TYR A 7 -13.458 4.613 -0.854 1.00 15.04 C ATOM 95 C TYR A 7 -13.977 5.953 -1.386 1.00 51.21 C ATOM 96 O TYR A 7 -14.463 6.045 -2.513 1.00 43.14 O ATOM 97 CB TYR A 7 -12.981 3.698 -2.001 1.00 74.43 C ATOM 98 CG TYR A 7 -14.097 3.084 -2.834 1.00 74.45 C ATOM 99 CD1 TYR A 7 -14.866 2.033 -2.341 1.00 51.30 C ATOM 100 CD2 TYR A 7 -14.376 3.552 -4.113 1.00 14.01 C ATOM 101 CE1 TYR A 7 -15.879 1.474 -3.095 1.00 42.05 C ATOM 102 CE2 TYR A 7 -15.388 2.996 -4.873 1.00 55.24 C ATOM 103 CZ TYR A 7 -16.138 1.960 -4.358 1.00 63.24 C ATOM 104 OH TYR A 7 -17.149 1.406 -5.111 1.00 32.40 O ATOM 0 H TYR A 7 -15.335 3.743 -0.542 1.00 51.24 H new ATOM 0 HA TYR A 7 -12.602 4.830 -0.216 1.00 15.04 H new ATOM 0 HB2 TYR A 7 -12.330 4.273 -2.659 1.00 74.43 H new ATOM 0 HB3 TYR A 7 -12.378 2.894 -1.579 1.00 74.43 H new ATOM 0 HD1 TYR A 7 -14.667 1.648 -1.352 1.00 51.30 H new ATOM 0 HD2 TYR A 7 -13.792 4.364 -4.520 1.00 14.01 H new ATOM 0 HE1 TYR A 7 -16.466 0.659 -2.696 1.00 42.05 H new ATOM 0 HE2 TYR A 7 -15.590 3.371 -5.865 1.00 55.24 H new ATOM 0 HH TYR A 7 -17.201 1.864 -5.976 1.00 32.40 H new ATOM 114 N PRO A 8 -13.911 7.018 -0.563 1.00 32.50 N ATOM 115 CA PRO A 8 -14.301 8.364 -0.990 1.00 43.14 C ATOM 116 C PRO A 8 -13.220 9.017 -1.847 1.00 43.42 C ATOM 117 O PRO A 8 -13.447 10.062 -2.462 1.00 12.12 O ATOM 118 CB PRO A 8 -14.480 9.121 0.326 1.00 24.43 C ATOM 119 CG PRO A 8 -13.546 8.458 1.277 1.00 14.14 C ATOM 120 CD PRO A 8 -13.473 6.991 0.846 1.00 41.11 C ATOM 0 HA PRO A 8 -15.199 8.360 -1.608 1.00 43.14 H new ATOM 0 HB2 PRO A 8 -14.241 10.178 0.210 1.00 24.43 H new ATOM 0 HB3 PRO A 8 -15.510 9.064 0.678 1.00 24.43 H new ATOM 0 HG2 PRO A 8 -12.561 8.923 1.244 1.00 14.14 H new ATOM 0 HG3 PRO A 8 -13.906 8.546 2.302 1.00 14.14 H new ATOM 0 HD2 PRO A 8 -12.462 6.595 0.944 1.00 41.11 H new ATOM 0 HD3 PRO A 8 -14.122 6.362 1.455 1.00 41.11 H new ATOM 128 N GLN A 9 -12.043 8.387 -1.863 1.00 21.13 N ATOM 129 CA GLN A 9 -10.918 8.819 -2.689 1.00 0.54 C ATOM 130 C GLN A 9 -10.403 10.193 -2.244 1.00 31.10 C ATOM 131 O GLN A 9 -10.813 10.724 -1.212 1.00 31.15 O ATOM 132 CB GLN A 9 -11.336 8.856 -4.168 1.00 2.51 C ATOM 133 CG GLN A 9 -10.256 8.406 -5.141 1.00 61.11 C ATOM 134 CD GLN A 9 -9.865 6.955 -4.944 1.00 2.35 C ATOM 135 OE1 GLN A 9 -10.459 6.056 -5.534 1.00 11.22 O ATOM 136 NE2 GLN A 9 -8.861 6.718 -4.113 1.00 3.24 N ATOM 0 H GLN A 9 -11.845 7.560 -1.300 1.00 21.13 H new ATOM 0 HA GLN A 9 -10.107 8.101 -2.567 1.00 0.54 H new ATOM 0 HB2 GLN A 9 -12.213 8.223 -4.300 1.00 2.51 H new ATOM 0 HB3 GLN A 9 -11.636 9.873 -4.422 1.00 2.51 H new ATOM 0 HG2 GLN A 9 -10.609 8.548 -6.162 1.00 61.11 H new ATOM 0 HG3 GLN A 9 -9.375 9.036 -5.018 1.00 61.11 H new ATOM 0 HE21 GLN A 9 -8.394 7.494 -3.643 1.00 3.24 H new ATOM 0 HE22 GLN A 9 -8.555 5.760 -3.943 1.00 3.24 H new ATOM 145 N ALA A 10 -9.476 10.738 -3.014 1.00 41.34 N ATOM 146 CA ALA A 10 -8.978 12.087 -2.804 1.00 60.25 C ATOM 147 C ALA A 10 -8.716 12.710 -4.160 1.00 24.30 C ATOM 148 O ALA A 10 -9.421 13.620 -4.597 1.00 62.12 O ATOM 149 CB ALA A 10 -7.713 12.074 -1.954 1.00 13.33 C ATOM 0 H ALA A 10 -9.047 10.256 -3.804 1.00 41.34 H new ATOM 0 HA ALA A 10 -9.719 12.677 -2.264 1.00 60.25 H new ATOM 0 HB1 ALA A 10 -7.360 13.095 -1.811 1.00 13.33 H new ATOM 0 HB2 ALA A 10 -7.931 11.626 -0.984 1.00 13.33 H new ATOM 0 HB3 ALA A 10 -6.942 11.491 -2.458 1.00 13.33 H new ATOM 155 N LYS A 11 -7.692 12.200 -4.816 1.00 1.53 N ATOM 156 CA LYS A 11 -7.462 12.455 -6.224 1.00 1.21 C ATOM 157 C LYS A 11 -7.246 11.107 -6.888 1.00 15.43 C ATOM 158 O LYS A 11 -7.075 10.104 -6.192 1.00 44.42 O ATOM 159 CB LYS A 11 -6.232 13.346 -6.436 1.00 10.24 C ATOM 160 CG LYS A 11 -6.240 14.626 -5.619 1.00 13.34 C ATOM 161 CD LYS A 11 -7.298 15.601 -6.098 1.00 3.12 C ATOM 162 CE LYS A 11 -7.334 16.839 -5.222 1.00 65.53 C ATOM 163 NZ LYS A 11 -8.382 17.799 -5.654 1.00 61.55 N ATOM 0 H LYS A 11 -6.993 11.595 -4.385 1.00 1.53 H new ATOM 0 HA LYS A 11 -8.315 12.979 -6.654 1.00 1.21 H new ATOM 0 HB2 LYS A 11 -5.337 12.775 -6.187 1.00 10.24 H new ATOM 0 HB3 LYS A 11 -6.162 13.604 -7.493 1.00 10.24 H new ATOM 0 HG2 LYS A 11 -6.417 14.386 -4.571 1.00 13.34 H new ATOM 0 HG3 LYS A 11 -5.259 15.098 -5.676 1.00 13.34 H new ATOM 0 HD2 LYS A 11 -7.093 15.887 -7.130 1.00 3.12 H new ATOM 0 HD3 LYS A 11 -8.274 15.117 -6.089 1.00 3.12 H new ATOM 0 HE2 LYS A 11 -7.516 16.546 -4.188 1.00 65.53 H new ATOM 0 HE3 LYS A 11 -6.361 17.329 -5.248 1.00 65.53 H new ATOM 0 HZ1 LYS A 11 -8.371 18.630 -5.028 1.00 61.55 H new ATOM 0 HZ2 LYS A 11 -8.195 18.100 -6.632 1.00 61.55 H new ATOM 0 HZ3 LYS A 11 -9.314 17.341 -5.605 1.00 61.55 H new ATOM 177 N ARG A 12 -7.275 11.059 -8.203 1.00 44.12 N ATOM 178 CA ARG A 12 -7.005 9.811 -8.900 1.00 64.42 C ATOM 179 C ARG A 12 -5.817 9.954 -9.842 1.00 1.15 C ATOM 180 O ARG A 12 -5.411 8.995 -10.493 1.00 31.02 O ATOM 181 CB ARG A 12 -8.248 9.330 -9.651 1.00 34.32 C ATOM 182 CG ARG A 12 -8.802 10.335 -10.643 1.00 2.42 C ATOM 183 CD ARG A 12 -10.118 9.849 -11.231 1.00 15.10 C ATOM 184 NE ARG A 12 -9.980 8.545 -11.885 1.00 74.44 N ATOM 185 CZ ARG A 12 -10.789 7.507 -11.659 1.00 3.05 C ATOM 186 NH1 ARG A 12 -11.805 7.618 -10.813 1.00 25.14 N ATOM 187 NH2 ARG A 12 -10.583 6.352 -12.280 1.00 3.53 N ATOM 0 H ARG A 12 -7.479 11.855 -8.807 1.00 44.12 H new ATOM 0 HA ARG A 12 -6.747 9.058 -8.155 1.00 64.42 H new ATOM 0 HB2 ARG A 12 -8.005 8.409 -10.181 1.00 34.32 H new ATOM 0 HB3 ARG A 12 -9.025 9.085 -8.926 1.00 34.32 H new ATOM 0 HG2 ARG A 12 -8.952 11.295 -10.149 1.00 2.42 H new ATOM 0 HG3 ARG A 12 -8.080 10.498 -11.443 1.00 2.42 H new ATOM 0 HD2 ARG A 12 -10.865 9.780 -10.440 1.00 15.10 H new ATOM 0 HD3 ARG A 12 -10.484 10.579 -11.953 1.00 15.10 H new ATOM 0 HE ARG A 12 -9.220 8.423 -12.554 1.00 74.44 H new ATOM 0 HH11 ARG A 12 -11.972 8.501 -10.330 1.00 25.14 H new ATOM 0 HH12 ARG A 12 -12.419 6.821 -10.646 1.00 25.14 H new ATOM 0 HH21 ARG A 12 -9.805 6.255 -12.932 1.00 3.53 H new ATOM 0 HH22 ARG A 12 -11.203 5.561 -12.105 1.00 3.53 H new ATOM 201 N VAL A 13 -5.265 11.160 -9.915 1.00 70.03 N ATOM 202 CA VAL A 13 -4.065 11.403 -10.712 1.00 52.22 C ATOM 203 C VAL A 13 -3.044 12.242 -9.928 1.00 53.41 C ATOM 204 O VAL A 13 -1.904 11.808 -9.757 1.00 63.52 O ATOM 205 CB VAL A 13 -4.372 12.082 -12.076 1.00 14.21 C ATOM 206 CG1 VAL A 13 -3.099 12.256 -12.891 1.00 53.03 C ATOM 207 CG2 VAL A 13 -5.399 11.287 -12.867 1.00 23.43 C ATOM 0 H VAL A 13 -5.627 11.983 -9.434 1.00 70.03 H new ATOM 0 HA VAL A 13 -3.639 10.423 -10.926 1.00 52.22 H new ATOM 0 HB VAL A 13 -4.790 13.067 -11.868 1.00 14.21 H new ATOM 0 HG11 VAL A 13 -3.338 12.733 -13.841 1.00 53.03 H new ATOM 0 HG12 VAL A 13 -2.396 12.879 -12.339 1.00 53.03 H new ATOM 0 HG13 VAL A 13 -2.650 11.280 -13.077 1.00 53.03 H new ATOM 0 HG21 VAL A 13 -5.593 11.786 -13.816 1.00 23.43 H new ATOM 0 HG22 VAL A 13 -5.016 10.284 -13.056 1.00 23.43 H new ATOM 0 HG23 VAL A 13 -6.325 11.220 -12.296 1.00 23.43 H new ATOM 217 N PRO A 14 -3.418 13.445 -9.432 1.00 32.34 N ATOM 218 CA PRO A 14 -2.513 14.306 -8.686 1.00 61.32 C ATOM 219 C PRO A 14 -2.723 14.204 -7.175 1.00 42.44 C ATOM 220 O PRO A 14 -3.062 15.189 -6.512 1.00 22.53 O ATOM 221 CB PRO A 14 -2.910 15.697 -9.190 1.00 54.43 C ATOM 222 CG PRO A 14 -4.361 15.593 -9.566 1.00 10.21 C ATOM 223 CD PRO A 14 -4.727 14.098 -9.554 1.00 10.43 C ATOM 0 HA PRO A 14 -1.465 14.049 -8.837 1.00 61.32 H new ATOM 0 HB2 PRO A 14 -2.758 16.451 -8.418 1.00 54.43 H new ATOM 0 HB3 PRO A 14 -2.303 15.991 -10.047 1.00 54.43 H new ATOM 0 HG2 PRO A 14 -4.982 16.147 -8.862 1.00 10.21 H new ATOM 0 HG3 PRO A 14 -4.535 16.024 -10.552 1.00 10.21 H new ATOM 0 HD2 PRO A 14 -5.383 13.849 -8.720 1.00 10.43 H new ATOM 0 HD3 PRO A 14 -5.244 13.801 -10.466 1.00 10.43 H new ATOM 231 N GLY A 15 -2.544 13.006 -6.639 1.00 22.23 N ATOM 232 CA GLY A 15 -2.699 12.803 -5.213 1.00 64.23 C ATOM 233 C GLY A 15 -3.657 11.673 -4.908 1.00 54.43 C ATOM 234 O GLY A 15 -4.656 11.856 -4.208 1.00 53.24 O ATOM 0 H GLY A 15 -2.294 12.170 -7.167 1.00 22.23 H new ATOM 0 HA2 GLY A 15 -1.728 12.586 -4.769 1.00 64.23 H new ATOM 0 HA3 GLY A 15 -3.062 13.722 -4.752 1.00 64.23 H new ATOM 238 N LEU A 16 -3.351 10.506 -5.440 1.00 42.12 N ATOM 239 CA LEU A 16 -4.205 9.343 -5.281 1.00 30.14 C ATOM 240 C LEU A 16 -3.780 8.561 -4.049 1.00 12.44 C ATOM 241 O LEU A 16 -2.615 8.565 -3.666 1.00 3.24 O ATOM 242 CB LEU A 16 -4.140 8.474 -6.551 1.00 4.35 C ATOM 243 CG LEU A 16 -4.543 7.000 -6.396 1.00 33.25 C ATOM 244 CD1 LEU A 16 -5.986 6.872 -5.954 1.00 62.12 C ATOM 245 CD2 LEU A 16 -4.309 6.248 -7.695 1.00 14.13 C ATOM 0 H LEU A 16 -2.510 10.336 -5.991 1.00 42.12 H new ATOM 0 HA LEU A 16 -5.239 9.658 -5.141 1.00 30.14 H new ATOM 0 HB2 LEU A 16 -4.783 8.926 -7.306 1.00 4.35 H new ATOM 0 HB3 LEU A 16 -3.121 8.510 -6.937 1.00 4.35 H new ATOM 0 HG LEU A 16 -3.917 6.557 -5.621 1.00 33.25 H new ATOM 0 HD11 LEU A 16 -6.243 5.818 -5.853 1.00 62.12 H new ATOM 0 HD12 LEU A 16 -6.118 7.372 -4.994 1.00 62.12 H new ATOM 0 HD13 LEU A 16 -6.636 7.334 -6.697 1.00 62.12 H new ATOM 0 HD21 LEU A 16 -4.599 5.205 -7.569 1.00 14.13 H new ATOM 0 HD22 LEU A 16 -4.906 6.698 -8.488 1.00 14.13 H new ATOM 0 HD23 LEU A 16 -3.253 6.301 -7.961 1.00 14.13 H new ATOM 257 N VAL A 17 -4.730 7.906 -3.418 1.00 60.40 N ATOM 258 CA VAL A 17 -4.439 7.144 -2.229 1.00 22.23 C ATOM 259 C VAL A 17 -5.451 6.023 -2.029 1.00 4.23 C ATOM 260 O VAL A 17 -6.664 6.235 -2.103 1.00 43.23 O ATOM 261 CB VAL A 17 -4.398 8.055 -0.985 1.00 32.03 C ATOM 262 CG1 VAL A 17 -5.660 8.893 -0.873 1.00 13.11 C ATOM 263 CG2 VAL A 17 -4.176 7.230 0.268 1.00 53.31 C ATOM 0 H VAL A 17 -5.707 7.887 -3.709 1.00 60.40 H new ATOM 0 HA VAL A 17 -3.455 6.695 -2.362 1.00 22.23 H new ATOM 0 HB VAL A 17 -3.559 8.743 -1.095 1.00 32.03 H new ATOM 0 HG11 VAL A 17 -5.600 9.524 0.014 1.00 13.11 H new ATOM 0 HG12 VAL A 17 -5.760 9.520 -1.759 1.00 13.11 H new ATOM 0 HG13 VAL A 17 -6.527 8.237 -0.793 1.00 13.11 H new ATOM 0 HG21 VAL A 17 -4.150 7.888 1.137 1.00 53.31 H new ATOM 0 HG22 VAL A 17 -4.989 6.513 0.380 1.00 53.31 H new ATOM 0 HG23 VAL A 17 -3.229 6.695 0.189 1.00 53.31 H new ATOM 273 N VAL A 18 -4.935 4.822 -1.821 1.00 33.34 N ATOM 274 CA VAL A 18 -5.750 3.682 -1.445 1.00 73.11 C ATOM 275 C VAL A 18 -5.175 3.073 -0.172 1.00 44.22 C ATOM 276 O VAL A 18 -3.994 3.253 0.130 1.00 4.13 O ATOM 277 CB VAL A 18 -5.847 2.615 -2.562 1.00 10.40 C ATOM 278 CG1 VAL A 18 -6.581 3.170 -3.776 1.00 52.43 C ATOM 279 CG2 VAL A 18 -4.469 2.109 -2.953 1.00 23.41 C ATOM 0 H VAL A 18 -3.941 4.612 -1.908 1.00 33.34 H new ATOM 0 HA VAL A 18 -6.768 4.034 -1.276 1.00 73.11 H new ATOM 0 HB VAL A 18 -6.418 1.772 -2.173 1.00 10.40 H new ATOM 0 HG11 VAL A 18 -6.638 2.403 -4.549 1.00 52.43 H new ATOM 0 HG12 VAL A 18 -7.589 3.469 -3.487 1.00 52.43 H new ATOM 0 HG13 VAL A 18 -6.043 4.035 -4.162 1.00 52.43 H new ATOM 0 HG21 VAL A 18 -4.566 1.360 -3.739 1.00 23.41 H new ATOM 0 HG22 VAL A 18 -3.865 2.941 -3.316 1.00 23.41 H new ATOM 0 HG23 VAL A 18 -3.986 1.662 -2.084 1.00 23.41 H new ATOM 289 N TYR A 19 -5.993 2.370 0.581 1.00 0.45 N ATOM 290 CA TYR A 19 -5.600 1.943 1.911 1.00 23.40 C ATOM 291 C TYR A 19 -5.909 0.481 2.162 1.00 4.33 C ATOM 292 O TYR A 19 -6.645 -0.160 1.409 1.00 22.41 O ATOM 293 CB TYR A 19 -6.300 2.808 2.962 1.00 4.53 C ATOM 294 CG TYR A 19 -7.567 3.454 2.457 1.00 25.11 C ATOM 295 CD1 TYR A 19 -8.727 2.713 2.271 1.00 34.43 C ATOM 296 CD2 TYR A 19 -7.593 4.805 2.142 1.00 5.20 C ATOM 297 CE1 TYR A 19 -9.874 3.304 1.787 1.00 11.14 C ATOM 298 CE2 TYR A 19 -8.735 5.400 1.654 1.00 31.52 C ATOM 299 CZ TYR A 19 -9.871 4.646 1.480 1.00 44.23 C ATOM 300 OH TYR A 19 -11.006 5.233 0.984 1.00 42.14 O ATOM 0 H TYR A 19 -6.930 2.082 0.299 1.00 0.45 H new ATOM 0 HA TYR A 19 -4.519 2.065 1.985 1.00 23.40 H new ATOM 0 HB2 TYR A 19 -6.535 2.193 3.830 1.00 4.53 H new ATOM 0 HB3 TYR A 19 -5.614 3.585 3.299 1.00 4.53 H new ATOM 0 HD1 TYR A 19 -8.730 1.660 2.509 1.00 34.43 H new ATOM 0 HD2 TYR A 19 -6.703 5.400 2.282 1.00 5.20 H new ATOM 0 HE1 TYR A 19 -10.770 2.718 1.649 1.00 11.14 H new ATOM 0 HE2 TYR A 19 -8.738 6.452 1.410 1.00 31.52 H new ATOM 0 HH TYR A 19 -11.794 4.828 1.403 1.00 42.14 H new ATOM 310 N ARG A 20 -5.323 -0.042 3.228 1.00 60.03 N ATOM 311 CA ARG A 20 -5.586 -1.399 3.665 1.00 62.42 C ATOM 312 C ARG A 20 -6.946 -1.465 4.359 1.00 53.44 C ATOM 313 O ARG A 20 -7.144 -0.831 5.394 1.00 25.44 O ATOM 314 CB ARG A 20 -4.501 -1.849 4.638 1.00 13.15 C ATOM 315 CG ARG A 20 -3.089 -1.853 4.079 1.00 45.25 C ATOM 316 CD ARG A 20 -2.862 -3.030 3.150 1.00 32.24 C ATOM 317 NE ARG A 20 -1.454 -3.438 3.120 1.00 42.02 N ATOM 318 CZ ARG A 20 -0.899 -4.248 4.033 1.00 11.22 C ATOM 319 NH1 ARG A 20 -1.614 -4.682 5.059 1.00 22.12 N ATOM 320 NH2 ARG A 20 0.371 -4.617 3.929 1.00 4.25 N ATOM 0 H ARG A 20 -4.655 0.462 3.811 1.00 60.03 H new ATOM 0 HA ARG A 20 -5.589 -2.056 2.796 1.00 62.42 H new ATOM 0 HB2 ARG A 20 -4.526 -1.197 5.511 1.00 13.15 H new ATOM 0 HB3 ARG A 20 -4.740 -2.855 4.983 1.00 13.15 H new ATOM 0 HG2 ARG A 20 -2.907 -0.923 3.541 1.00 45.25 H new ATOM 0 HG3 ARG A 20 -2.372 -1.892 4.899 1.00 45.25 H new ATOM 0 HD2 ARG A 20 -3.477 -3.871 3.472 1.00 32.24 H new ATOM 0 HD3 ARG A 20 -3.185 -2.766 2.143 1.00 32.24 H new ATOM 0 HE ARG A 20 -0.865 -3.087 2.364 1.00 42.02 H new ATOM 0 HH11 ARG A 20 -2.589 -4.400 5.156 1.00 22.12 H new ATOM 0 HH12 ARG A 20 -1.189 -5.298 5.752 1.00 22.12 H new ATOM 0 HH21 ARG A 20 0.937 -4.284 3.148 1.00 4.25 H new ATOM 0 HH22 ARG A 20 0.782 -5.234 4.630 1.00 4.25 H new ATOM 334 N TYR A 21 -7.873 -2.227 3.787 1.00 44.30 N ATOM 335 CA TYR A 21 -9.235 -2.313 4.317 1.00 33.54 C ATOM 336 C TYR A 21 -9.277 -3.085 5.634 1.00 45.52 C ATOM 337 O TYR A 21 -8.307 -3.741 6.014 1.00 63.43 O ATOM 338 CB TYR A 21 -10.161 -2.989 3.301 1.00 44.55 C ATOM 339 CG TYR A 21 -10.214 -2.297 1.960 1.00 11.21 C ATOM 340 CD1 TYR A 21 -11.022 -1.187 1.757 1.00 31.45 C ATOM 341 CD2 TYR A 21 -9.451 -2.757 0.893 1.00 50.12 C ATOM 342 CE1 TYR A 21 -11.071 -0.554 0.529 1.00 52.14 C ATOM 343 CE2 TYR A 21 -9.495 -2.132 -0.336 1.00 4.54 C ATOM 344 CZ TYR A 21 -10.305 -1.032 -0.513 1.00 62.31 C ATOM 345 OH TYR A 21 -10.354 -0.408 -1.740 1.00 70.01 O ATOM 0 H TYR A 21 -7.709 -2.795 2.956 1.00 44.30 H new ATOM 0 HA TYR A 21 -9.577 -1.295 4.504 1.00 33.54 H new ATOM 0 HB2 TYR A 21 -9.832 -4.018 3.154 1.00 44.55 H new ATOM 0 HB3 TYR A 21 -11.168 -3.032 3.716 1.00 44.55 H new ATOM 0 HD1 TYR A 21 -11.623 -0.811 2.572 1.00 31.45 H new ATOM 0 HD2 TYR A 21 -8.813 -3.618 1.028 1.00 50.12 H new ATOM 0 HE1 TYR A 21 -11.705 0.309 0.387 1.00 52.14 H new ATOM 0 HE2 TYR A 21 -8.897 -2.503 -1.155 1.00 4.54 H new ATOM 0 HH TYR A 21 -9.755 -0.867 -2.365 1.00 70.01 H new ATOM 355 N ASP A 22 -10.423 -3.016 6.307 1.00 15.25 N ATOM 356 CA ASP A 22 -10.641 -3.707 7.585 1.00 63.21 C ATOM 357 C ASP A 22 -11.047 -5.164 7.353 1.00 15.11 C ATOM 358 O ASP A 22 -11.811 -5.747 8.121 1.00 4.43 O ATOM 359 CB ASP A 22 -11.742 -2.982 8.378 1.00 30.41 C ATOM 360 CG ASP A 22 -11.913 -3.505 9.797 1.00 70.34 C ATOM 361 OD1 ASP A 22 -10.956 -3.416 10.593 1.00 13.53 O ATOM 362 OD2 ASP A 22 -13.017 -3.990 10.130 1.00 4.30 O ATOM 0 H ASP A 22 -11.230 -2.481 5.986 1.00 15.25 H new ATOM 0 HA ASP A 22 -9.710 -3.695 8.151 1.00 63.21 H new ATOM 0 HB2 ASP A 22 -11.510 -1.918 8.417 1.00 30.41 H new ATOM 0 HB3 ASP A 22 -12.688 -3.082 7.846 1.00 30.41 H new ATOM 367 N ALA A 23 -10.522 -5.770 6.304 1.00 13.04 N ATOM 368 CA ALA A 23 -10.938 -7.115 5.952 1.00 71.14 C ATOM 369 C ALA A 23 -9.770 -8.052 5.745 1.00 42.24 C ATOM 370 O ALA A 23 -8.852 -7.752 4.990 1.00 52.51 O ATOM 371 CB ALA A 23 -11.792 -7.092 4.700 1.00 72.35 C ATOM 0 H ALA A 23 -9.818 -5.361 5.690 1.00 13.04 H new ATOM 0 HA ALA A 23 -11.518 -7.492 6.795 1.00 71.14 H new ATOM 0 HB1 ALA A 23 -12.096 -8.108 4.448 1.00 72.35 H new ATOM 0 HB2 ALA A 23 -12.677 -6.481 4.875 1.00 72.35 H new ATOM 0 HB3 ALA A 23 -11.217 -6.671 3.875 1.00 72.35 H new ATOM 377 N PRO A 24 -9.793 -9.195 6.440 1.00 1.22 N ATOM 378 CA PRO A 24 -8.818 -10.268 6.243 1.00 33.22 C ATOM 379 C PRO A 24 -8.920 -10.893 4.856 1.00 35.13 C ATOM 380 O PRO A 24 -9.837 -11.669 4.577 1.00 44.33 O ATOM 381 CB PRO A 24 -9.180 -11.305 7.317 1.00 2.45 C ATOM 382 CG PRO A 24 -9.984 -10.554 8.317 1.00 3.31 C ATOM 383 CD PRO A 24 -10.754 -9.521 7.505 1.00 13.51 C ATOM 0 HA PRO A 24 -7.796 -9.897 6.323 1.00 33.22 H new ATOM 0 HB2 PRO A 24 -9.750 -12.132 6.892 1.00 2.45 H new ATOM 0 HB3 PRO A 24 -8.286 -11.733 7.770 1.00 2.45 H new ATOM 0 HG2 PRO A 24 -10.661 -11.216 8.857 1.00 3.31 H new ATOM 0 HG3 PRO A 24 -9.345 -10.076 9.060 1.00 3.31 H new ATOM 0 HD2 PRO A 24 -11.684 -9.926 7.106 1.00 13.51 H new ATOM 0 HD3 PRO A 24 -11.016 -8.646 8.100 1.00 13.51 H new ATOM 391 N LEU A 25 -7.994 -10.531 3.983 1.00 75.20 N ATOM 392 CA LEU A 25 -7.917 -11.150 2.674 1.00 15.41 C ATOM 393 C LEU A 25 -6.810 -12.190 2.655 1.00 3.32 C ATOM 394 O LEU A 25 -6.749 -13.025 1.747 1.00 3.33 O ATOM 395 CB LEU A 25 -7.752 -10.122 1.516 1.00 34.23 C ATOM 396 CG LEU A 25 -6.684 -8.997 1.625 1.00 13.23 C ATOM 397 CD1 LEU A 25 -7.134 -7.879 2.548 1.00 75.23 C ATOM 398 CD2 LEU A 25 -5.324 -9.523 2.057 1.00 20.23 C ATOM 0 H LEU A 25 -7.289 -9.815 4.158 1.00 75.20 H new ATOM 0 HA LEU A 25 -8.873 -11.642 2.495 1.00 15.41 H new ATOM 0 HB2 LEU A 25 -7.537 -10.687 0.609 1.00 34.23 H new ATOM 0 HB3 LEU A 25 -8.718 -9.639 1.370 1.00 34.23 H new ATOM 0 HG LEU A 25 -6.575 -8.590 0.620 1.00 13.23 H new ATOM 0 HD11 LEU A 25 -6.360 -7.113 2.597 1.00 75.23 H new ATOM 0 HD12 LEU A 25 -8.055 -7.440 2.165 1.00 75.23 H new ATOM 0 HD13 LEU A 25 -7.311 -8.280 3.546 1.00 75.23 H new ATOM 0 HD21 LEU A 25 -4.616 -8.696 2.117 1.00 20.23 H new ATOM 0 HD22 LEU A 25 -5.411 -9.998 3.034 1.00 20.23 H new ATOM 0 HD23 LEU A 25 -4.968 -10.253 1.330 1.00 20.23 H new ATOM 410 N CYS A 26 -5.948 -12.137 3.679 1.00 24.14 N ATOM 411 CA CYS A 26 -4.828 -13.067 3.817 1.00 55.25 C ATOM 412 C CYS A 26 -3.806 -12.839 2.702 1.00 53.03 C ATOM 413 O CYS A 26 -2.762 -12.218 2.929 1.00 51.42 O ATOM 414 CB CYS A 26 -5.332 -14.519 3.819 1.00 21.43 C ATOM 415 SG CYS A 26 -4.040 -15.768 4.003 1.00 72.14 S ATOM 0 H CYS A 26 -6.010 -11.450 4.430 1.00 24.14 H new ATOM 0 HA CYS A 26 -4.334 -12.882 4.771 1.00 55.25 H new ATOM 0 HB2 CYS A 26 -6.051 -14.638 4.629 1.00 21.43 H new ATOM 0 HB3 CYS A 26 -5.867 -14.704 2.888 1.00 21.43 H new ATOM 0 HG CYS A 26 -3.130 -15.588 3.092 1.00 72.14 H new ATOM 421 N PHE A 27 -4.139 -13.330 1.506 1.00 31.20 N ATOM 422 CA PHE A 27 -3.362 -13.111 0.283 1.00 52.52 C ATOM 423 C PHE A 27 -3.925 -13.951 -0.861 1.00 35.14 C ATOM 424 O PHE A 27 -3.605 -13.709 -2.023 1.00 24.25 O ATOM 425 CB PHE A 27 -1.867 -13.423 0.458 1.00 64.55 C ATOM 426 CG PHE A 27 -1.547 -14.851 0.822 1.00 51.32 C ATOM 427 CD1 PHE A 27 -1.427 -15.828 -0.158 1.00 73.23 C ATOM 428 CD2 PHE A 27 -1.350 -15.212 2.143 1.00 14.43 C ATOM 429 CE1 PHE A 27 -1.120 -17.132 0.178 1.00 32.23 C ATOM 430 CE2 PHE A 27 -1.046 -16.515 2.484 1.00 73.13 C ATOM 431 CZ PHE A 27 -0.931 -17.476 1.502 1.00 21.04 C ATOM 0 H PHE A 27 -4.971 -13.901 1.357 1.00 31.20 H new ATOM 0 HA PHE A 27 -3.449 -12.050 0.049 1.00 52.52 H new ATOM 0 HB2 PHE A 27 -1.350 -13.177 -0.469 1.00 64.55 H new ATOM 0 HB3 PHE A 27 -1.464 -12.769 1.231 1.00 64.55 H new ATOM 0 HD1 PHE A 27 -1.575 -15.565 -1.195 1.00 73.23 H new ATOM 0 HD2 PHE A 27 -1.435 -14.465 2.918 1.00 14.43 H new ATOM 0 HE1 PHE A 27 -1.028 -17.882 -0.594 1.00 32.23 H new ATOM 0 HE2 PHE A 27 -0.898 -16.781 3.520 1.00 73.13 H new ATOM 0 HZ PHE A 27 -0.694 -18.496 1.768 1.00 21.04 H new ATOM 441 N ALA A 28 -4.788 -14.912 -0.501 1.00 3.40 N ATOM 442 CA ALA A 28 -5.343 -15.911 -1.429 1.00 53.21 C ATOM 443 C ALA A 28 -5.666 -15.333 -2.806 1.00 22.52 C ATOM 444 O ALA A 28 -4.937 -15.561 -3.776 1.00 24.30 O ATOM 445 CB ALA A 28 -6.598 -16.519 -0.822 1.00 12.45 C ATOM 0 H ALA A 28 -5.125 -15.020 0.456 1.00 3.40 H new ATOM 0 HA ALA A 28 -4.578 -16.673 -1.578 1.00 53.21 H new ATOM 0 HB1 ALA A 28 -7.012 -17.259 -1.507 1.00 12.45 H new ATOM 0 HB2 ALA A 28 -6.349 -16.999 0.124 1.00 12.45 H new ATOM 0 HB3 ALA A 28 -7.335 -15.735 -0.648 1.00 12.45 H new ATOM 451 N ASN A 29 -6.754 -14.589 -2.887 1.00 41.53 N ATOM 452 CA ASN A 29 -7.133 -13.933 -4.130 1.00 65.54 C ATOM 453 C ASN A 29 -6.564 -12.526 -4.152 1.00 51.11 C ATOM 454 O ASN A 29 -6.692 -11.806 -5.139 1.00 72.42 O ATOM 455 CB ASN A 29 -8.659 -13.867 -4.278 1.00 31.12 C ATOM 456 CG ASN A 29 -9.309 -12.941 -3.264 1.00 12.44 C ATOM 457 OD1 ASN A 29 -8.861 -12.833 -2.121 1.00 14.03 O ATOM 458 ND2 ASN A 29 -10.367 -12.258 -3.676 1.00 70.54 N ATOM 0 H ASN A 29 -7.392 -14.423 -2.109 1.00 41.53 H new ATOM 0 HA ASN A 29 -6.731 -14.514 -4.961 1.00 65.54 H new ATOM 0 HB2 ASN A 29 -8.908 -13.529 -5.284 1.00 31.12 H new ATOM 0 HB3 ASN A 29 -9.074 -14.869 -4.167 1.00 31.12 H new ATOM 0 HD21 ASN A 29 -10.839 -11.616 -3.039 1.00 70.54 H new ATOM 0 HD22 ASN A 29 -10.709 -12.374 -4.630 1.00 70.54 H new ATOM 465 N ALA A 30 -5.901 -12.162 -3.063 1.00 21.13 N ATOM 466 CA ALA A 30 -5.485 -10.790 -2.841 1.00 61.52 C ATOM 467 C ALA A 30 -4.251 -10.428 -3.651 1.00 14.21 C ATOM 468 O ALA A 30 -3.937 -9.255 -3.792 1.00 50.42 O ATOM 469 CB ALA A 30 -5.239 -10.543 -1.366 1.00 25.34 C ATOM 0 H ALA A 30 -5.640 -12.806 -2.316 1.00 21.13 H new ATOM 0 HA ALA A 30 -6.297 -10.147 -3.180 1.00 61.52 H new ATOM 0 HB1 ALA A 30 -4.928 -9.509 -1.217 1.00 25.34 H new ATOM 0 HB2 ALA A 30 -6.156 -10.730 -0.808 1.00 25.34 H new ATOM 0 HB3 ALA A 30 -4.456 -11.212 -1.011 1.00 25.34 H new ATOM 475 N GLU A 31 -3.538 -11.425 -4.164 1.00 34.31 N ATOM 476 CA GLU A 31 -2.432 -11.154 -5.075 1.00 15.24 C ATOM 477 C GLU A 31 -2.986 -10.632 -6.385 1.00 34.43 C ATOM 478 O GLU A 31 -2.673 -9.513 -6.816 1.00 54.50 O ATOM 479 CB GLU A 31 -1.593 -12.413 -5.331 1.00 53.31 C ATOM 480 CG GLU A 31 -0.512 -12.205 -6.383 1.00 44.24 C ATOM 481 CD GLU A 31 -0.700 -13.081 -7.608 1.00 13.22 C ATOM 482 OE1 GLU A 31 -1.527 -12.735 -8.478 1.00 52.04 O ATOM 483 OE2 GLU A 31 -0.010 -14.117 -7.713 1.00 13.44 O ATOM 0 H GLU A 31 -3.702 -12.413 -3.969 1.00 34.31 H new ATOM 0 HA GLU A 31 -1.782 -10.409 -4.617 1.00 15.24 H new ATOM 0 HB2 GLU A 31 -1.127 -12.728 -4.397 1.00 53.31 H new ATOM 0 HB3 GLU A 31 -2.250 -13.222 -5.649 1.00 53.31 H new ATOM 0 HG2 GLU A 31 -0.507 -11.159 -6.689 1.00 44.24 H new ATOM 0 HG3 GLU A 31 0.462 -12.413 -5.941 1.00 44.24 H new ATOM 490 N ASP A 32 -3.832 -11.446 -6.996 1.00 61.54 N ATOM 491 CA ASP A 32 -4.477 -11.088 -8.242 1.00 1.34 C ATOM 492 C ASP A 32 -5.291 -9.829 -8.050 1.00 11.31 C ATOM 493 O ASP A 32 -5.091 -8.849 -8.755 1.00 12.33 O ATOM 494 CB ASP A 32 -5.382 -12.217 -8.718 1.00 52.01 C ATOM 495 CG ASP A 32 -5.916 -11.974 -10.114 1.00 22.10 C ATOM 496 OD1 ASP A 32 -6.992 -11.353 -10.253 1.00 62.24 O ATOM 497 OD2 ASP A 32 -5.254 -12.406 -11.077 1.00 0.15 O ATOM 0 H ASP A 32 -4.088 -12.368 -6.642 1.00 61.54 H new ATOM 0 HA ASP A 32 -3.709 -10.914 -8.996 1.00 1.34 H new ATOM 0 HB2 ASP A 32 -4.828 -13.156 -8.701 1.00 52.01 H new ATOM 0 HB3 ASP A 32 -6.217 -12.327 -8.026 1.00 52.01 H new ATOM 502 N PHE A 33 -6.176 -9.865 -7.059 1.00 20.32 N ATOM 503 CA PHE A 33 -7.024 -8.731 -6.723 1.00 4.13 C ATOM 504 C PHE A 33 -6.206 -7.447 -6.565 1.00 41.35 C ATOM 505 O PHE A 33 -6.588 -6.395 -7.082 1.00 11.14 O ATOM 506 CB PHE A 33 -7.817 -9.045 -5.442 1.00 33.13 C ATOM 507 CG PHE A 33 -7.959 -7.879 -4.506 1.00 43.22 C ATOM 508 CD1 PHE A 33 -8.789 -6.816 -4.825 1.00 24.55 C ATOM 509 CD2 PHE A 33 -7.243 -7.841 -3.315 1.00 54.52 C ATOM 510 CE1 PHE A 33 -8.901 -5.731 -3.984 1.00 55.23 C ATOM 511 CE2 PHE A 33 -7.357 -6.755 -2.467 1.00 21.41 C ATOM 512 CZ PHE A 33 -8.185 -5.699 -2.805 1.00 34.10 C ATOM 0 H PHE A 33 -6.324 -10.682 -6.467 1.00 20.32 H new ATOM 0 HA PHE A 33 -7.723 -8.563 -7.542 1.00 4.13 H new ATOM 0 HB2 PHE A 33 -8.811 -9.397 -5.720 1.00 33.13 H new ATOM 0 HB3 PHE A 33 -7.325 -9.862 -4.915 1.00 33.13 H new ATOM 0 HD1 PHE A 33 -9.355 -6.839 -5.744 1.00 24.55 H new ATOM 0 HD2 PHE A 33 -6.595 -8.664 -3.051 1.00 54.52 H new ATOM 0 HE1 PHE A 33 -9.548 -4.907 -4.247 1.00 55.23 H new ATOM 0 HE2 PHE A 33 -6.800 -6.731 -1.542 1.00 21.41 H new ATOM 0 HZ PHE A 33 -8.271 -4.849 -2.145 1.00 34.10 H new ATOM 522 N ARG A 34 -5.072 -7.547 -5.873 1.00 73.14 N ATOM 523 CA ARG A 34 -4.236 -6.386 -5.597 1.00 31.22 C ATOM 524 C ARG A 34 -3.806 -5.706 -6.876 1.00 71.23 C ATOM 525 O ARG A 34 -4.203 -4.577 -7.160 1.00 25.04 O ATOM 526 CB ARG A 34 -2.978 -6.773 -4.834 1.00 22.42 C ATOM 527 CG ARG A 34 -2.153 -5.574 -4.416 1.00 42.20 C ATOM 528 CD ARG A 34 -2.626 -5.036 -3.071 1.00 72.52 C ATOM 529 NE ARG A 34 -2.509 -6.053 -2.016 1.00 12.43 N ATOM 530 CZ ARG A 34 -2.923 -5.892 -0.756 1.00 35.44 C ATOM 531 NH1 ARG A 34 -3.537 -4.773 -0.387 1.00 2.41 N ATOM 532 NH2 ARG A 34 -2.732 -6.864 0.132 1.00 52.11 N ATOM 0 H ARG A 34 -4.713 -8.423 -5.494 1.00 73.14 H new ATOM 0 HA ARG A 34 -4.842 -5.709 -4.995 1.00 31.22 H new ATOM 0 HB2 ARG A 34 -3.257 -7.343 -3.948 1.00 22.42 H new ATOM 0 HB3 ARG A 34 -2.369 -7.429 -5.456 1.00 22.42 H new ATOM 0 HG2 ARG A 34 -1.102 -5.855 -4.351 1.00 42.20 H new ATOM 0 HG3 ARG A 34 -2.229 -4.793 -5.172 1.00 42.20 H new ATOM 0 HD2 ARG A 34 -2.037 -4.159 -2.801 1.00 72.52 H new ATOM 0 HD3 ARG A 34 -3.663 -4.711 -3.152 1.00 72.52 H new ATOM 0 HE ARG A 34 -2.081 -6.945 -2.264 1.00 12.43 H new ATOM 0 HH11 ARG A 34 -3.695 -4.030 -1.067 1.00 2.41 H new ATOM 0 HH12 ARG A 34 -3.850 -4.657 0.577 1.00 2.41 H new ATOM 0 HH21 ARG A 34 -2.271 -7.729 -0.150 1.00 52.11 H new ATOM 0 HH22 ARG A 34 -3.047 -6.744 1.095 1.00 52.11 H new ATOM 546 N ARG A 35 -2.984 -6.401 -7.648 1.00 0.32 N ATOM 547 CA ARG A 35 -2.428 -5.806 -8.845 1.00 53.11 C ATOM 548 C ARG A 35 -3.478 -5.674 -9.927 1.00 1.21 C ATOM 549 O ARG A 35 -3.271 -4.960 -10.891 1.00 21.23 O ATOM 550 CB ARG A 35 -1.181 -6.556 -9.346 1.00 33.14 C ATOM 551 CG ARG A 35 -1.229 -8.073 -9.224 1.00 71.42 C ATOM 552 CD ARG A 35 -2.070 -8.735 -10.304 1.00 43.34 C ATOM 553 NE ARG A 35 -1.930 -10.186 -10.247 1.00 40.33 N ATOM 554 CZ ARG A 35 -1.640 -10.953 -11.294 1.00 23.23 C ATOM 555 NH1 ARG A 35 -1.553 -10.431 -12.512 1.00 32.03 N ATOM 556 NH2 ARG A 35 -1.436 -12.249 -11.116 1.00 74.15 N ATOM 0 H ARG A 35 -2.693 -7.362 -7.468 1.00 0.32 H new ATOM 0 HA ARG A 35 -2.097 -4.802 -8.580 1.00 53.11 H new ATOM 0 HB2 ARG A 35 -1.022 -6.299 -10.393 1.00 33.14 H new ATOM 0 HB3 ARG A 35 -0.315 -6.193 -8.793 1.00 33.14 H new ATOM 0 HG2 ARG A 35 -0.214 -8.467 -9.271 1.00 71.42 H new ATOM 0 HG3 ARG A 35 -1.630 -8.340 -8.246 1.00 71.42 H new ATOM 0 HD2 ARG A 35 -3.117 -8.460 -10.177 1.00 43.34 H new ATOM 0 HD3 ARG A 35 -1.762 -8.373 -11.285 1.00 43.34 H new ATOM 0 HE ARG A 35 -2.063 -10.642 -9.345 1.00 40.33 H new ATOM 0 HH11 ARG A 35 -1.709 -9.433 -12.651 1.00 32.03 H new ATOM 0 HH12 ARG A 35 -1.330 -11.028 -13.308 1.00 32.03 H new ATOM 0 HH21 ARG A 35 -1.502 -12.652 -10.181 1.00 74.15 H new ATOM 0 HH22 ARG A 35 -1.213 -12.844 -11.914 1.00 74.15 H new ATOM 570 N ARG A 36 -4.614 -6.336 -9.750 1.00 3.30 N ATOM 571 CA ARG A 36 -5.727 -6.185 -10.673 1.00 32.11 C ATOM 572 C ARG A 36 -6.328 -4.795 -10.523 1.00 75.34 C ATOM 573 O ARG A 36 -6.213 -3.969 -11.425 1.00 12.30 O ATOM 574 CB ARG A 36 -6.799 -7.247 -10.417 1.00 53.43 C ATOM 575 CG ARG A 36 -7.825 -7.363 -11.533 1.00 74.21 C ATOM 576 CD ARG A 36 -7.205 -7.907 -12.812 1.00 1.04 C ATOM 577 NE ARG A 36 -6.679 -9.267 -12.642 1.00 52.12 N ATOM 578 CZ ARG A 36 -6.074 -9.957 -13.612 1.00 52.52 C ATOM 579 NH1 ARG A 36 -5.894 -9.411 -14.809 1.00 13.30 N ATOM 580 NH2 ARG A 36 -5.632 -11.187 -13.378 1.00 40.42 N ATOM 0 H ARG A 36 -4.787 -6.980 -8.978 1.00 3.30 H new ATOM 0 HA ARG A 36 -5.355 -6.315 -11.689 1.00 32.11 H new ATOM 0 HB2 ARG A 36 -6.314 -8.214 -10.279 1.00 53.43 H new ATOM 0 HB3 ARG A 36 -7.314 -7.013 -9.485 1.00 53.43 H new ATOM 0 HG2 ARG A 36 -8.637 -8.017 -11.215 1.00 74.21 H new ATOM 0 HG3 ARG A 36 -8.263 -6.384 -11.728 1.00 74.21 H new ATOM 0 HD2 ARG A 36 -7.953 -7.906 -13.605 1.00 1.04 H new ATOM 0 HD3 ARG A 36 -6.400 -7.246 -13.132 1.00 1.04 H new ATOM 0 HE ARG A 36 -6.782 -9.711 -11.729 1.00 52.12 H new ATOM 0 HH11 ARG A 36 -6.218 -8.461 -14.990 1.00 13.30 H new ATOM 0 HH12 ARG A 36 -5.431 -9.942 -15.547 1.00 13.30 H new ATOM 0 HH21 ARG A 36 -5.754 -11.606 -12.456 1.00 40.42 H new ATOM 0 HH22 ARG A 36 -5.170 -11.713 -14.120 1.00 40.42 H new ATOM 594 N ALA A 37 -6.924 -4.526 -9.361 1.00 32.51 N ATOM 595 CA ALA A 37 -7.613 -3.260 -9.133 1.00 61.32 C ATOM 596 C ALA A 37 -6.669 -2.074 -9.304 1.00 52.33 C ATOM 597 O ALA A 37 -7.026 -1.059 -9.899 1.00 15.44 O ATOM 598 CB ALA A 37 -8.240 -3.245 -7.747 1.00 62.10 C ATOM 0 H ALA A 37 -6.943 -5.166 -8.567 1.00 32.51 H new ATOM 0 HA ALA A 37 -8.402 -3.167 -9.880 1.00 61.32 H new ATOM 0 HB1 ALA A 37 -8.751 -2.295 -7.589 1.00 62.10 H new ATOM 0 HB2 ALA A 37 -8.957 -4.061 -7.663 1.00 62.10 H new ATOM 0 HB3 ALA A 37 -7.461 -3.368 -6.994 1.00 62.10 H new ATOM 604 N LEU A 38 -5.452 -2.222 -8.801 1.00 2.10 N ATOM 605 CA LEU A 38 -4.470 -1.149 -8.850 1.00 72.52 C ATOM 606 C LEU A 38 -4.025 -0.854 -10.287 1.00 63.53 C ATOM 607 O LEU A 38 -4.026 0.295 -10.728 1.00 64.15 O ATOM 608 CB LEU A 38 -3.261 -1.498 -7.975 1.00 21.05 C ATOM 609 CG LEU A 38 -3.381 -1.126 -6.487 1.00 2.45 C ATOM 610 CD1 LEU A 38 -4.642 -1.707 -5.862 1.00 52.31 C ATOM 611 CD2 LEU A 38 -2.153 -1.602 -5.727 1.00 22.42 C ATOM 0 H LEU A 38 -5.121 -3.077 -8.353 1.00 2.10 H new ATOM 0 HA LEU A 38 -4.942 -0.247 -8.461 1.00 72.52 H new ATOM 0 HB2 LEU A 38 -3.081 -2.570 -8.048 1.00 21.05 H new ATOM 0 HB3 LEU A 38 -2.383 -0.999 -8.385 1.00 21.05 H new ATOM 0 HG LEU A 38 -3.448 -0.040 -6.421 1.00 2.45 H new ATOM 0 HD11 LEU A 38 -4.691 -1.423 -4.811 1.00 52.31 H new ATOM 0 HD12 LEU A 38 -5.518 -1.321 -6.384 1.00 52.31 H new ATOM 0 HD13 LEU A 38 -4.621 -2.794 -5.943 1.00 52.31 H new ATOM 0 HD21 LEU A 38 -2.249 -1.333 -4.675 1.00 22.42 H new ATOM 0 HD22 LEU A 38 -2.066 -2.685 -5.818 1.00 22.42 H new ATOM 0 HD23 LEU A 38 -1.263 -1.130 -6.142 1.00 22.42 H new ATOM 623 N THR A 39 -3.673 -1.888 -11.034 1.00 72.24 N ATOM 624 CA THR A 39 -3.183 -1.688 -12.389 1.00 65.44 C ATOM 625 C THR A 39 -4.304 -1.154 -13.286 1.00 32.04 C ATOM 626 O THR A 39 -4.050 -0.546 -14.325 1.00 22.21 O ATOM 627 CB THR A 39 -2.585 -2.991 -12.963 1.00 30.21 C ATOM 628 OG1 THR A 39 -1.650 -2.690 -14.008 1.00 10.42 O ATOM 629 CG2 THR A 39 -3.671 -3.900 -13.512 1.00 65.35 C ATOM 0 H THR A 39 -3.716 -2.861 -10.731 1.00 72.24 H new ATOM 0 HA THR A 39 -2.384 -0.947 -12.359 1.00 65.44 H new ATOM 0 HB THR A 39 -2.075 -3.507 -12.149 1.00 30.21 H new ATOM 0 HG1 THR A 39 -1.277 -3.524 -14.363 1.00 10.42 H new ATOM 0 HG21 THR A 39 -3.219 -4.809 -13.909 1.00 65.35 H new ATOM 0 HG22 THR A 39 -4.366 -4.160 -12.714 1.00 65.35 H new ATOM 0 HG23 THR A 39 -4.209 -3.385 -14.308 1.00 65.35 H new ATOM 637 N VAL A 40 -5.544 -1.367 -12.850 1.00 62.32 N ATOM 638 CA VAL A 40 -6.718 -0.845 -13.535 1.00 1.02 C ATOM 639 C VAL A 40 -6.863 0.658 -13.303 1.00 45.24 C ATOM 640 O VAL A 40 -7.135 1.415 -14.235 1.00 14.53 O ATOM 641 CB VAL A 40 -7.992 -1.569 -13.059 1.00 75.35 C ATOM 642 CG1 VAL A 40 -9.251 -0.823 -13.483 1.00 15.42 C ATOM 643 CG2 VAL A 40 -8.018 -2.994 -13.596 1.00 62.43 C ATOM 0 H VAL A 40 -5.760 -1.907 -12.012 1.00 62.32 H new ATOM 0 HA VAL A 40 -6.586 -1.023 -14.602 1.00 1.02 H new ATOM 0 HB VAL A 40 -7.973 -1.597 -11.970 1.00 75.35 H new ATOM 0 HG11 VAL A 40 -10.130 -1.363 -13.130 1.00 15.42 H new ATOM 0 HG12 VAL A 40 -9.243 0.178 -13.053 1.00 15.42 H new ATOM 0 HG13 VAL A 40 -9.282 -0.750 -14.570 1.00 15.42 H new ATOM 0 HG21 VAL A 40 -8.923 -3.496 -13.253 1.00 62.43 H new ATOM 0 HG22 VAL A 40 -8.006 -2.972 -14.686 1.00 62.43 H new ATOM 0 HG23 VAL A 40 -7.144 -3.535 -13.234 1.00 62.43 H new ATOM 653 N VAL A 41 -6.663 1.092 -12.059 1.00 34.21 N ATOM 654 CA VAL A 41 -6.728 2.518 -11.729 1.00 72.13 C ATOM 655 C VAL A 41 -5.470 3.229 -12.208 1.00 62.15 C ATOM 656 O VAL A 41 -5.326 4.442 -12.038 1.00 13.44 O ATOM 657 CB VAL A 41 -6.912 2.755 -10.211 1.00 51.23 C ATOM 658 CG1 VAL A 41 -8.143 2.017 -9.703 1.00 15.01 C ATOM 659 CG2 VAL A 41 -5.668 2.340 -9.434 1.00 44.04 C ATOM 0 H VAL A 41 -6.456 0.483 -11.267 1.00 34.21 H new ATOM 0 HA VAL A 41 -7.599 2.927 -12.240 1.00 72.13 H new ATOM 0 HB VAL A 41 -7.060 3.823 -10.050 1.00 51.23 H new ATOM 0 HG11 VAL A 41 -8.258 2.194 -8.634 1.00 15.01 H new ATOM 0 HG12 VAL A 41 -9.027 2.379 -10.228 1.00 15.01 H new ATOM 0 HG13 VAL A 41 -8.027 0.948 -9.883 1.00 15.01 H new ATOM 0 HG21 VAL A 41 -5.827 2.518 -8.370 1.00 44.04 H new ATOM 0 HG22 VAL A 41 -5.472 1.280 -9.599 1.00 44.04 H new ATOM 0 HG23 VAL A 41 -4.814 2.924 -9.776 1.00 44.04 H new ATOM 669 N ASP A 42 -4.574 2.424 -12.779 1.00 2.44 N ATOM 670 CA ASP A 42 -3.330 2.862 -13.410 1.00 41.24 C ATOM 671 C ASP A 42 -2.190 2.722 -12.427 1.00 63.23 C ATOM 672 O ASP A 42 -2.134 3.390 -11.398 1.00 74.01 O ATOM 673 CB ASP A 42 -3.386 4.276 -14.004 1.00 21.32 C ATOM 674 CG ASP A 42 -4.231 4.350 -15.263 1.00 50.43 C ATOM 675 OD1 ASP A 42 -3.985 3.561 -16.203 1.00 0.12 O ATOM 676 OD2 ASP A 42 -5.148 5.199 -15.325 1.00 34.23 O ATOM 0 H ASP A 42 -4.700 1.412 -12.816 1.00 2.44 H new ATOM 0 HA ASP A 42 -3.166 2.209 -14.267 1.00 41.24 H new ATOM 0 HB2 ASP A 42 -3.790 4.962 -13.260 1.00 21.32 H new ATOM 0 HB3 ASP A 42 -2.374 4.611 -14.231 1.00 21.32 H new ATOM 681 N GLN A 43 -1.303 1.816 -12.763 1.00 53.12 N ATOM 682 CA GLN A 43 -0.251 1.378 -11.868 1.00 53.24 C ATOM 683 C GLN A 43 0.989 1.054 -12.681 1.00 14.15 C ATOM 684 O GLN A 43 2.011 1.738 -12.618 1.00 75.40 O ATOM 685 CB GLN A 43 -0.737 0.115 -11.153 1.00 42.54 C ATOM 686 CG GLN A 43 -0.689 0.169 -9.641 1.00 1.13 C ATOM 687 CD GLN A 43 0.688 -0.127 -9.089 1.00 65.25 C ATOM 688 OE1 GLN A 43 1.705 0.207 -9.691 1.00 43.05 O ATOM 689 NE2 GLN A 43 0.732 -0.792 -7.946 1.00 40.11 N ATOM 0 H GLN A 43 -1.288 1.356 -13.673 1.00 53.12 H new ATOM 0 HA GLN A 43 -0.012 2.156 -11.143 1.00 53.24 H new ATOM 0 HB2 GLN A 43 -1.763 -0.085 -11.461 1.00 42.54 H new ATOM 0 HB3 GLN A 43 -0.134 -0.728 -11.489 1.00 42.54 H new ATOM 0 HG2 GLN A 43 -1.005 1.157 -9.307 1.00 1.13 H new ATOM 0 HG3 GLN A 43 -1.401 -0.548 -9.233 1.00 1.13 H new ATOM 0 HE21 GLN A 43 -0.134 -1.053 -7.474 1.00 40.11 H new ATOM 0 HE22 GLN A 43 1.632 -1.044 -7.537 1.00 40.11 H new ATOM 698 N ASP A 44 0.855 0.006 -13.471 1.00 54.02 N ATOM 699 CA ASP A 44 1.910 -0.456 -14.350 1.00 73.21 C ATOM 700 C ASP A 44 1.834 0.218 -15.731 1.00 33.15 C ATOM 701 O ASP A 44 2.861 0.648 -16.252 1.00 65.21 O ATOM 702 CB ASP A 44 1.831 -1.976 -14.482 1.00 25.53 C ATOM 703 CG ASP A 44 2.841 -2.531 -15.467 1.00 53.44 C ATOM 704 OD1 ASP A 44 3.995 -2.782 -15.064 1.00 32.41 O ATOM 705 OD2 ASP A 44 2.489 -2.720 -16.648 1.00 35.40 O ATOM 0 H ASP A 44 0.003 -0.553 -13.521 1.00 54.02 H new ATOM 0 HA ASP A 44 2.870 -0.181 -13.913 1.00 73.21 H new ATOM 0 HB2 ASP A 44 1.995 -2.430 -13.505 1.00 25.53 H new ATOM 0 HB3 ASP A 44 0.827 -2.257 -14.800 1.00 25.53 H new ATOM 710 N PRO A 45 0.631 0.317 -16.357 1.00 73.11 N ATOM 711 CA PRO A 45 0.486 0.988 -17.660 1.00 55.43 C ATOM 712 C PRO A 45 0.947 2.447 -17.632 1.00 43.54 C ATOM 713 O PRO A 45 1.905 2.817 -18.315 1.00 63.42 O ATOM 714 CB PRO A 45 -1.017 0.917 -17.958 1.00 1.40 C ATOM 715 CG PRO A 45 -1.520 -0.220 -17.147 1.00 15.20 C ATOM 716 CD PRO A 45 -0.657 -0.238 -15.889 1.00 42.33 C ATOM 0 HA PRO A 45 1.105 0.506 -18.417 1.00 55.43 H new ATOM 0 HB2 PRO A 45 -1.517 1.847 -17.686 1.00 1.40 H new ATOM 0 HB3 PRO A 45 -1.201 0.755 -19.020 1.00 1.40 H new ATOM 0 HG2 PRO A 45 -2.573 -0.089 -16.898 1.00 15.20 H new ATOM 0 HG3 PRO A 45 -1.436 -1.159 -17.694 1.00 15.20 H new ATOM 0 HD2 PRO A 45 -1.091 0.368 -15.094 1.00 42.33 H new ATOM 0 HD3 PRO A 45 -0.541 -1.247 -15.494 1.00 42.33 H new ATOM 724 N GLY A 46 0.282 3.267 -16.827 1.00 44.31 N ATOM 725 CA GLY A 46 0.588 4.684 -16.801 1.00 31.20 C ATOM 726 C GLY A 46 1.147 5.147 -15.470 1.00 23.25 C ATOM 727 O GLY A 46 0.948 4.495 -14.445 1.00 24.50 O ATOM 0 H GLY A 46 -0.462 2.976 -16.193 1.00 44.31 H new ATOM 0 HA2 GLY A 46 1.307 4.909 -17.588 1.00 31.20 H new ATOM 0 HA3 GLY A 46 -0.317 5.249 -17.025 1.00 31.20 H new ATOM 731 N GLN A 47 1.844 6.276 -15.495 1.00 43.23 N ATOM 732 CA GLN A 47 2.439 6.854 -14.299 1.00 50.40 C ATOM 733 C GLN A 47 1.416 7.713 -13.562 1.00 55.22 C ATOM 734 O GLN A 47 0.673 8.477 -14.183 1.00 52.12 O ATOM 735 CB GLN A 47 3.654 7.698 -14.689 1.00 42.53 C ATOM 736 CG GLN A 47 4.415 8.278 -13.509 1.00 43.55 C ATOM 737 CD GLN A 47 5.577 9.154 -13.938 1.00 2.54 C ATOM 738 OE1 GLN A 47 5.944 10.099 -13.241 1.00 52.31 O ATOM 739 NE2 GLN A 47 6.162 8.849 -15.089 1.00 72.23 N ATOM 0 H GLN A 47 2.012 6.815 -16.344 1.00 43.23 H new ATOM 0 HA GLN A 47 2.758 6.051 -13.635 1.00 50.40 H new ATOM 0 HB2 GLN A 47 4.334 7.084 -15.279 1.00 42.53 H new ATOM 0 HB3 GLN A 47 3.324 8.515 -15.331 1.00 42.53 H new ATOM 0 HG2 GLN A 47 3.732 8.863 -12.893 1.00 43.55 H new ATOM 0 HG3 GLN A 47 4.788 7.465 -12.887 1.00 43.55 H new ATOM 0 HE21 GLN A 47 5.827 8.057 -15.637 1.00 72.23 H new ATOM 0 HE22 GLN A 47 6.947 9.407 -15.426 1.00 72.23 H new ATOM 748 N VAL A 48 1.385 7.590 -12.245 1.00 32.44 N ATOM 749 CA VAL A 48 0.404 8.290 -11.432 1.00 35.34 C ATOM 750 C VAL A 48 0.999 8.669 -10.072 1.00 45.31 C ATOM 751 O VAL A 48 1.895 7.990 -9.569 1.00 31.04 O ATOM 752 CB VAL A 48 -0.858 7.412 -11.242 1.00 25.13 C ATOM 753 CG1 VAL A 48 -0.490 6.066 -10.636 1.00 4.31 C ATOM 754 CG2 VAL A 48 -1.907 8.115 -10.392 1.00 15.20 C ATOM 0 H VAL A 48 2.032 7.008 -11.713 1.00 32.44 H new ATOM 0 HA VAL A 48 0.120 9.207 -11.948 1.00 35.34 H new ATOM 0 HB VAL A 48 -1.292 7.242 -12.227 1.00 25.13 H new ATOM 0 HG11 VAL A 48 -1.391 5.465 -10.511 1.00 4.31 H new ATOM 0 HG12 VAL A 48 0.204 5.547 -11.297 1.00 4.31 H new ATOM 0 HG13 VAL A 48 -0.019 6.221 -9.665 1.00 4.31 H new ATOM 0 HG21 VAL A 48 -2.778 7.469 -10.280 1.00 15.20 H new ATOM 0 HG22 VAL A 48 -1.491 8.336 -9.409 1.00 15.20 H new ATOM 0 HG23 VAL A 48 -2.205 9.045 -10.877 1.00 15.20 H new ATOM 764 N GLU A 49 0.522 9.776 -9.508 1.00 0.51 N ATOM 765 CA GLU A 49 0.928 10.216 -8.178 1.00 1.14 C ATOM 766 C GLU A 49 -0.032 9.645 -7.143 1.00 4.01 C ATOM 767 O GLU A 49 -1.202 10.034 -7.100 1.00 74.21 O ATOM 768 CB GLU A 49 0.924 11.746 -8.112 1.00 45.40 C ATOM 769 CG GLU A 49 1.381 12.317 -6.779 1.00 14.14 C ATOM 770 CD GLU A 49 1.274 13.827 -6.731 1.00 61.35 C ATOM 771 OE1 GLU A 49 2.080 14.510 -7.400 1.00 42.20 O ATOM 772 OE2 GLU A 49 0.374 14.342 -6.036 1.00 43.02 O ATOM 0 H GLU A 49 -0.155 10.391 -9.960 1.00 0.51 H new ATOM 0 HA GLU A 49 1.936 9.859 -7.969 1.00 1.14 H new ATOM 0 HB2 GLU A 49 1.570 12.133 -8.900 1.00 45.40 H new ATOM 0 HB3 GLU A 49 -0.084 12.104 -8.321 1.00 45.40 H new ATOM 0 HG2 GLU A 49 0.780 11.887 -5.978 1.00 14.14 H new ATOM 0 HG3 GLU A 49 2.414 12.023 -6.596 1.00 14.14 H new ATOM 779 N TRP A 50 0.447 8.720 -6.319 1.00 4.31 N ATOM 780 CA TRP A 50 -0.429 8.029 -5.390 1.00 71.22 C ATOM 781 C TRP A 50 0.349 7.388 -4.248 1.00 54.30 C ATOM 782 O TRP A 50 1.573 7.522 -4.148 1.00 54.44 O ATOM 783 CB TRP A 50 -1.249 6.964 -6.128 1.00 43.43 C ATOM 784 CG TRP A 50 -0.465 5.778 -6.602 1.00 44.32 C ATOM 785 CD1 TRP A 50 0.531 5.767 -7.533 1.00 3.55 C ATOM 786 CD2 TRP A 50 -0.639 4.423 -6.179 1.00 43.53 C ATOM 787 NE1 TRP A 50 0.996 4.486 -7.707 1.00 1.13 N ATOM 788 CE2 TRP A 50 0.295 3.643 -6.887 1.00 12.22 C ATOM 789 CE3 TRP A 50 -1.487 3.794 -5.265 1.00 55.41 C ATOM 790 CZ2 TRP A 50 0.400 2.269 -6.708 1.00 63.10 C ATOM 791 CZ3 TRP A 50 -1.384 2.429 -5.091 1.00 72.51 C ATOM 792 CH2 TRP A 50 -0.445 1.680 -5.808 1.00 33.22 C ATOM 0 H TRP A 50 1.426 8.436 -6.277 1.00 4.31 H new ATOM 0 HA TRP A 50 -1.101 8.771 -4.959 1.00 71.22 H new ATOM 0 HB2 TRP A 50 -2.043 6.616 -5.467 1.00 43.43 H new ATOM 0 HB3 TRP A 50 -1.731 7.429 -6.988 1.00 43.43 H new ATOM 0 HD1 TRP A 50 0.900 6.637 -8.056 1.00 3.55 H new ATOM 0 HE1 TRP A 50 1.743 4.208 -8.344 1.00 1.13 H new ATOM 0 HE3 TRP A 50 -2.211 4.366 -4.704 1.00 55.41 H new ATOM 0 HZ2 TRP A 50 1.123 1.687 -7.260 1.00 63.10 H new ATOM 0 HZ3 TRP A 50 -2.038 1.931 -4.391 1.00 72.51 H new ATOM 0 HH2 TRP A 50 -0.386 0.614 -5.647 1.00 33.22 H new ATOM 803 N PHE A 51 -0.376 6.704 -3.372 1.00 42.11 N ATOM 804 CA PHE A 51 0.252 5.954 -2.307 1.00 74.02 C ATOM 805 C PHE A 51 -0.736 5.050 -1.592 1.00 5.12 C ATOM 806 O PHE A 51 -1.951 5.246 -1.669 1.00 31.30 O ATOM 807 CB PHE A 51 0.925 6.901 -1.315 1.00 52.44 C ATOM 808 CG PHE A 51 -0.003 7.771 -0.508 1.00 22.34 C ATOM 809 CD1 PHE A 51 -0.482 8.967 -1.023 1.00 61.10 C ATOM 810 CD2 PHE A 51 -0.361 7.411 0.780 1.00 72.41 C ATOM 811 CE1 PHE A 51 -1.302 9.782 -0.267 1.00 41.13 C ATOM 812 CE2 PHE A 51 -1.183 8.221 1.537 1.00 31.20 C ATOM 813 CZ PHE A 51 -1.654 9.409 1.014 1.00 44.42 C ATOM 0 H PHE A 51 -1.395 6.657 -3.383 1.00 42.11 H new ATOM 0 HA PHE A 51 1.011 5.315 -2.759 1.00 74.02 H new ATOM 0 HB2 PHE A 51 1.527 6.308 -0.627 1.00 52.44 H new ATOM 0 HB3 PHE A 51 1.611 7.546 -1.865 1.00 52.44 H new ATOM 0 HD1 PHE A 51 -0.211 9.264 -2.025 1.00 61.10 H new ATOM 0 HD2 PHE A 51 0.007 6.485 1.197 1.00 72.41 H new ATOM 0 HE1 PHE A 51 -1.668 10.711 -0.679 1.00 41.13 H new ATOM 0 HE2 PHE A 51 -1.458 7.926 2.539 1.00 31.20 H new ATOM 0 HZ PHE A 51 -2.296 10.044 1.606 1.00 44.42 H new ATOM 823 N VAL A 52 -0.199 4.040 -0.920 1.00 72.41 N ATOM 824 CA VAL A 52 -0.998 3.172 -0.075 1.00 23.14 C ATOM 825 C VAL A 52 -0.662 3.446 1.381 1.00 33.33 C ATOM 826 O VAL A 52 0.497 3.693 1.723 1.00 31.11 O ATOM 827 CB VAL A 52 -0.782 1.668 -0.386 1.00 43.51 C ATOM 828 CG1 VAL A 52 -1.150 1.351 -1.825 1.00 52.15 C ATOM 829 CG2 VAL A 52 0.651 1.248 -0.112 1.00 61.25 C ATOM 0 H VAL A 52 0.793 3.803 -0.946 1.00 72.41 H new ATOM 0 HA VAL A 52 -2.046 3.392 -0.277 1.00 23.14 H new ATOM 0 HB VAL A 52 -1.438 1.103 0.275 1.00 43.51 H new ATOM 0 HG11 VAL A 52 -0.989 0.290 -2.016 1.00 52.15 H new ATOM 0 HG12 VAL A 52 -2.199 1.595 -1.995 1.00 52.15 H new ATOM 0 HG13 VAL A 52 -0.527 1.940 -2.498 1.00 52.15 H new ATOM 0 HG21 VAL A 52 0.770 0.189 -0.340 1.00 61.25 H new ATOM 0 HG22 VAL A 52 1.327 1.831 -0.737 1.00 61.25 H new ATOM 0 HG23 VAL A 52 0.887 1.422 0.938 1.00 61.25 H new ATOM 839 N LEU A 53 -1.661 3.429 2.241 1.00 74.01 N ATOM 840 CA LEU A 53 -1.417 3.736 3.633 1.00 43.33 C ATOM 841 C LEU A 53 -2.304 2.924 4.565 1.00 4.10 C ATOM 842 O LEU A 53 -3.179 2.160 4.134 1.00 30.50 O ATOM 843 CB LEU A 53 -1.613 5.238 3.896 1.00 62.23 C ATOM 844 CG LEU A 53 -3.038 5.680 4.250 1.00 1.15 C ATOM 845 CD1 LEU A 53 -3.054 7.142 4.658 1.00 24.10 C ATOM 846 CD2 LEU A 53 -3.987 5.449 3.089 1.00 73.10 C ATOM 0 H LEU A 53 -2.629 3.211 2.006 1.00 74.01 H new ATOM 0 HA LEU A 53 -0.383 3.464 3.843 1.00 43.33 H new ATOM 0 HB2 LEU A 53 -0.950 5.533 4.709 1.00 62.23 H new ATOM 0 HB3 LEU A 53 -1.294 5.786 3.010 1.00 62.23 H new ATOM 0 HG LEU A 53 -3.377 5.076 5.091 1.00 1.15 H new ATOM 0 HD11 LEU A 53 -4.073 7.439 4.906 1.00 24.10 H new ATOM 0 HD12 LEU A 53 -2.413 7.284 5.528 1.00 24.10 H new ATOM 0 HD13 LEU A 53 -2.688 7.754 3.834 1.00 24.10 H new ATOM 0 HD21 LEU A 53 -4.990 5.772 3.369 1.00 73.10 H new ATOM 0 HD22 LEU A 53 -3.650 6.021 2.224 1.00 73.10 H new ATOM 0 HD23 LEU A 53 -4.004 4.388 2.838 1.00 73.10 H new ATOM 858 N ASN A 54 -2.028 3.083 5.843 1.00 14.54 N ATOM 859 CA ASN A 54 -2.843 2.518 6.905 1.00 32.02 C ATOM 860 C ASN A 54 -4.199 3.206 6.985 1.00 44.14 C ATOM 861 O ASN A 54 -4.276 4.432 7.065 1.00 4.03 O ATOM 862 CB ASN A 54 -2.097 2.663 8.233 1.00 30.12 C ATOM 863 CG ASN A 54 -2.968 2.426 9.445 1.00 44.10 C ATOM 864 OD1 ASN A 54 -3.184 1.289 9.848 1.00 65.11 O ATOM 865 ND2 ASN A 54 -3.441 3.501 10.057 1.00 50.44 N ATOM 0 H ASN A 54 -1.224 3.613 6.180 1.00 14.54 H new ATOM 0 HA ASN A 54 -3.021 1.464 6.691 1.00 32.02 H new ATOM 0 HB2 ASN A 54 -1.264 1.960 8.251 1.00 30.12 H new ATOM 0 HB3 ASN A 54 -1.670 3.664 8.293 1.00 30.12 H new ATOM 0 HD21 ASN A 54 -4.009 3.400 10.898 1.00 50.44 H new ATOM 0 HD22 ASN A 54 -3.237 4.430 9.687 1.00 50.44 H new ATOM 872 N ALA A 55 -5.261 2.412 6.970 1.00 15.13 N ATOM 873 CA ALA A 55 -6.615 2.935 7.117 1.00 24.51 C ATOM 874 C ALA A 55 -7.069 2.802 8.561 1.00 73.13 C ATOM 875 O ALA A 55 -8.235 3.024 8.881 1.00 33.05 O ATOM 876 CB ALA A 55 -7.573 2.203 6.193 1.00 62.53 C ATOM 0 H ALA A 55 -5.212 1.399 6.857 1.00 15.13 H new ATOM 0 HA ALA A 55 -6.613 3.990 6.843 1.00 24.51 H new ATOM 0 HB1 ALA A 55 -8.578 2.607 6.317 1.00 62.53 H new ATOM 0 HB2 ALA A 55 -7.254 2.335 5.159 1.00 62.53 H new ATOM 0 HB3 ALA A 55 -7.576 1.141 6.439 1.00 62.53 H new ATOM 882 N GLU A 56 -6.118 2.406 9.411 1.00 11.10 N ATOM 883 CA GLU A 56 -6.320 2.259 10.854 1.00 31.33 C ATOM 884 C GLU A 56 -7.082 0.977 11.168 1.00 71.11 C ATOM 885 O GLU A 56 -7.195 0.571 12.324 1.00 52.40 O ATOM 886 CB GLU A 56 -7.031 3.488 11.440 1.00 51.35 C ATOM 887 CG GLU A 56 -6.873 3.628 12.943 1.00 54.11 C ATOM 888 CD GLU A 56 -5.422 3.586 13.374 1.00 1.14 C ATOM 889 OE1 GLU A 56 -4.553 4.075 12.617 1.00 71.33 O ATOM 890 OE2 GLU A 56 -5.143 3.042 14.461 1.00 50.13 O ATOM 0 H GLU A 56 -5.171 2.175 9.111 1.00 11.10 H new ATOM 0 HA GLU A 56 -5.340 2.189 11.326 1.00 31.33 H new ATOM 0 HB2 GLU A 56 -6.642 4.385 10.958 1.00 51.35 H new ATOM 0 HB3 GLU A 56 -8.093 3.431 11.199 1.00 51.35 H new ATOM 0 HG2 GLU A 56 -7.319 4.568 13.267 1.00 54.11 H new ATOM 0 HG3 GLU A 56 -7.421 2.827 13.440 1.00 54.11 H new ATOM 897 N SER A 57 -7.581 0.335 10.130 1.00 23.51 N ATOM 898 CA SER A 57 -8.326 -0.900 10.274 1.00 50.23 C ATOM 899 C SER A 57 -7.412 -2.114 10.114 1.00 31.41 C ATOM 900 O SER A 57 -7.612 -3.157 10.741 1.00 43.40 O ATOM 901 CB SER A 57 -9.408 -0.952 9.204 1.00 2.31 C ATOM 902 OG SER A 57 -10.132 0.267 9.130 1.00 40.53 O ATOM 0 H SER A 57 -7.482 0.654 9.166 1.00 23.51 H new ATOM 0 HA SER A 57 -8.767 -0.926 11.270 1.00 50.23 H new ATOM 0 HB2 SER A 57 -8.953 -1.164 8.236 1.00 2.31 H new ATOM 0 HB3 SER A 57 -10.095 -1.771 9.420 1.00 2.31 H new ATOM 0 HG SER A 57 -10.590 0.323 8.266 1.00 40.53 H new ATOM 908 N ASN A 58 -6.396 -1.953 9.279 1.00 51.11 N ATOM 909 CA ASN A 58 -5.553 -3.060 8.851 1.00 63.25 C ATOM 910 C ASN A 58 -4.694 -3.630 9.969 1.00 24.31 C ATOM 911 O ASN A 58 -3.950 -2.907 10.630 1.00 70.43 O ATOM 912 CB ASN A 58 -4.654 -2.620 7.698 1.00 75.43 C ATOM 913 CG ASN A 58 -3.939 -1.306 7.967 1.00 30.12 C ATOM 914 OD1 ASN A 58 -4.460 -0.234 7.654 1.00 13.20 O ATOM 915 ND2 ASN A 58 -2.744 -1.373 8.534 1.00 72.23 N ATOM 0 H ASN A 58 -6.133 -1.052 8.879 1.00 51.11 H new ATOM 0 HA ASN A 58 -6.229 -3.852 8.529 1.00 63.25 H new ATOM 0 HB2 ASN A 58 -3.914 -3.397 7.506 1.00 75.43 H new ATOM 0 HB3 ASN A 58 -5.255 -2.521 6.794 1.00 75.43 H new ATOM 0 HD21 ASN A 58 -2.222 -0.518 8.726 1.00 72.23 H new ATOM 0 HD22 ASN A 58 -2.346 -2.280 8.779 1.00 72.23 H new ATOM 922 N VAL A 59 -4.806 -4.942 10.156 1.00 4.12 N ATOM 923 CA VAL A 59 -3.940 -5.683 11.068 1.00 1.11 C ATOM 924 C VAL A 59 -4.351 -7.150 11.123 1.00 24.14 C ATOM 925 O VAL A 59 -3.507 -8.038 11.227 1.00 40.15 O ATOM 926 CB VAL A 59 -3.931 -5.073 12.484 1.00 54.14 C ATOM 927 CG1 VAL A 59 -5.300 -5.153 13.144 1.00 10.42 C ATOM 928 CG2 VAL A 59 -2.866 -5.727 13.354 1.00 73.31 C ATOM 0 H VAL A 59 -5.498 -5.521 9.680 1.00 4.12 H new ATOM 0 HA VAL A 59 -2.925 -5.613 10.677 1.00 1.11 H new ATOM 0 HB VAL A 59 -3.683 -4.017 12.380 1.00 54.14 H new ATOM 0 HG11 VAL A 59 -5.250 -4.713 14.140 1.00 10.42 H new ATOM 0 HG12 VAL A 59 -6.027 -4.608 12.542 1.00 10.42 H new ATOM 0 HG13 VAL A 59 -5.605 -6.196 13.224 1.00 10.42 H new ATOM 0 HG21 VAL A 59 -2.881 -5.278 14.347 1.00 73.31 H new ATOM 0 HG22 VAL A 59 -3.068 -6.795 13.435 1.00 73.31 H new ATOM 0 HG23 VAL A 59 -1.885 -5.577 12.903 1.00 73.31 H new ATOM 938 N GLU A 60 -5.650 -7.407 11.010 1.00 50.33 N ATOM 939 CA GLU A 60 -6.151 -8.770 10.965 1.00 32.03 C ATOM 940 C GLU A 60 -6.485 -9.096 9.529 1.00 62.53 C ATOM 941 O GLU A 60 -7.009 -10.155 9.208 1.00 3.14 O ATOM 942 CB GLU A 60 -7.399 -8.901 11.841 1.00 41.11 C ATOM 943 CG GLU A 60 -7.122 -8.725 13.322 1.00 22.44 C ATOM 944 CD GLU A 60 -6.258 -9.835 13.872 1.00 15.54 C ATOM 945 OE1 GLU A 60 -6.810 -10.899 14.223 1.00 23.13 O ATOM 946 OE2 GLU A 60 -5.029 -9.655 13.948 1.00 12.13 O ATOM 0 H GLU A 60 -6.371 -6.689 10.948 1.00 50.33 H new ATOM 0 HA GLU A 60 -5.399 -9.462 11.343 1.00 32.03 H new ATOM 0 HB2 GLU A 60 -8.133 -8.159 11.526 1.00 41.11 H new ATOM 0 HB3 GLU A 60 -7.846 -9.881 11.677 1.00 41.11 H new ATOM 0 HG2 GLU A 60 -6.630 -7.767 13.487 1.00 22.44 H new ATOM 0 HG3 GLU A 60 -8.066 -8.697 13.866 1.00 22.44 H new ATOM 953 N VAL A 61 -6.115 -8.166 8.673 1.00 55.35 N ATOM 954 CA VAL A 61 -6.601 -8.127 7.316 1.00 23.05 C ATOM 955 C VAL A 61 -5.611 -8.752 6.341 1.00 22.33 C ATOM 956 O VAL A 61 -5.993 -9.357 5.336 1.00 42.02 O ATOM 957 CB VAL A 61 -6.886 -6.656 6.920 1.00 73.13 C ATOM 958 CG1 VAL A 61 -7.721 -5.984 8.000 1.00 44.03 C ATOM 959 CG2 VAL A 61 -5.599 -5.873 6.697 1.00 1.22 C ATOM 0 H VAL A 61 -5.466 -7.414 8.904 1.00 55.35 H new ATOM 0 HA VAL A 61 -7.519 -8.712 7.264 1.00 23.05 H new ATOM 0 HB VAL A 61 -7.437 -6.664 5.980 1.00 73.13 H new ATOM 0 HG11 VAL A 61 -7.918 -4.950 7.717 1.00 44.03 H new ATOM 0 HG12 VAL A 61 -8.666 -6.516 8.113 1.00 44.03 H new ATOM 0 HG13 VAL A 61 -7.178 -6.004 8.945 1.00 44.03 H new ATOM 0 HG21 VAL A 61 -5.841 -4.847 6.421 1.00 1.22 H new ATOM 0 HG22 VAL A 61 -5.010 -5.873 7.614 1.00 1.22 H new ATOM 0 HG23 VAL A 61 -5.024 -6.338 5.896 1.00 1.22 H new ATOM 969 N ASP A 62 -4.341 -8.654 6.670 1.00 31.52 N ATOM 970 CA ASP A 62 -3.299 -8.978 5.728 1.00 53.54 C ATOM 971 C ASP A 62 -2.279 -9.896 6.385 1.00 3.41 C ATOM 972 O ASP A 62 -1.883 -9.675 7.532 1.00 41.41 O ATOM 973 CB ASP A 62 -2.664 -7.675 5.248 1.00 63.32 C ATOM 974 CG ASP A 62 -1.939 -7.813 3.922 1.00 63.31 C ATOM 975 OD1 ASP A 62 -0.931 -8.546 3.860 1.00 11.22 O ATOM 976 OD2 ASP A 62 -2.395 -7.191 2.927 1.00 12.24 O ATOM 0 H ASP A 62 -4.008 -8.352 7.585 1.00 31.52 H new ATOM 0 HA ASP A 62 -3.705 -9.508 4.867 1.00 53.54 H new ATOM 0 HB2 ASP A 62 -3.439 -6.915 5.153 1.00 63.32 H new ATOM 0 HB3 ASP A 62 -1.962 -7.321 6.003 1.00 63.32 H new ATOM 981 N LEU A 63 -1.901 -10.957 5.682 1.00 11.42 N ATOM 982 CA LEU A 63 -1.052 -11.991 6.265 1.00 12.21 C ATOM 983 C LEU A 63 0.273 -12.113 5.519 1.00 45.12 C ATOM 984 O LEU A 63 1.327 -11.816 6.068 1.00 23.02 O ATOM 985 CB LEU A 63 -1.782 -13.340 6.280 1.00 35.25 C ATOM 986 CG LEU A 63 -2.801 -13.542 7.417 1.00 43.30 C ATOM 987 CD1 LEU A 63 -3.927 -12.522 7.358 1.00 33.14 C ATOM 988 CD2 LEU A 63 -3.383 -14.940 7.360 1.00 30.32 C ATOM 0 H LEU A 63 -2.167 -11.124 4.712 1.00 11.42 H new ATOM 0 HA LEU A 63 -0.831 -11.698 7.291 1.00 12.21 H new ATOM 0 HB2 LEU A 63 -2.300 -13.461 5.329 1.00 35.25 H new ATOM 0 HB3 LEU A 63 -1.037 -14.133 6.341 1.00 35.25 H new ATOM 0 HG LEU A 63 -2.267 -13.403 8.357 1.00 43.30 H new ATOM 0 HD11 LEU A 63 -4.623 -12.701 8.178 1.00 33.14 H new ATOM 0 HD12 LEU A 63 -3.513 -11.518 7.446 1.00 33.14 H new ATOM 0 HD13 LEU A 63 -4.453 -12.616 6.408 1.00 33.14 H new ATOM 0 HD21 LEU A 63 -4.102 -15.068 8.170 1.00 30.32 H new ATOM 0 HD22 LEU A 63 -3.884 -15.087 6.403 1.00 30.32 H new ATOM 0 HD23 LEU A 63 -2.582 -15.672 7.466 1.00 30.32 H new ATOM 1000 N THR A 64 0.221 -12.575 4.274 1.00 43.44 N ATOM 1001 CA THR A 64 1.421 -12.685 3.447 1.00 75.22 C ATOM 1002 C THR A 64 1.231 -11.868 2.172 1.00 53.24 C ATOM 1003 O THR A 64 2.044 -11.886 1.227 1.00 21.41 O ATOM 1004 CB THR A 64 1.717 -14.160 3.104 1.00 33.34 C ATOM 1005 OG1 THR A 64 1.578 -14.959 4.285 1.00 34.33 O ATOM 1006 CG2 THR A 64 3.127 -14.330 2.554 1.00 65.52 C ATOM 0 H THR A 64 -0.637 -12.879 3.814 1.00 43.44 H new ATOM 0 HA THR A 64 2.273 -12.295 4.003 1.00 75.22 H new ATOM 0 HB THR A 64 1.008 -14.479 2.340 1.00 33.34 H new ATOM 0 HG1 THR A 64 0.848 -15.601 4.161 1.00 34.33 H new ATOM 0 HG21 THR A 64 3.303 -15.381 2.323 1.00 65.52 H new ATOM 0 HG22 THR A 64 3.238 -13.735 1.647 1.00 65.52 H new ATOM 0 HG23 THR A 64 3.850 -13.996 3.298 1.00 65.52 H new ATOM 1014 N ALA A 65 0.153 -11.108 2.165 1.00 2.04 N ATOM 1015 CA ALA A 65 -0.171 -10.284 1.030 1.00 45.21 C ATOM 1016 C ALA A 65 0.849 -9.171 0.882 1.00 13.41 C ATOM 1017 O ALA A 65 0.996 -8.623 -0.201 1.00 71.33 O ATOM 1018 CB ALA A 65 -1.573 -9.727 1.151 1.00 24.14 C ATOM 0 H ALA A 65 -0.511 -11.048 2.937 1.00 2.04 H new ATOM 0 HA ALA A 65 -0.137 -10.901 0.132 1.00 45.21 H new ATOM 0 HB1 ALA A 65 -1.795 -9.108 0.282 1.00 24.14 H new ATOM 0 HB2 ALA A 65 -2.288 -10.548 1.203 1.00 24.14 H new ATOM 0 HB3 ALA A 65 -1.648 -9.123 2.055 1.00 24.14 H new ATOM 1024 N LEU A 66 1.558 -8.840 1.967 1.00 71.31 N ATOM 1025 CA LEU A 66 2.658 -7.889 1.865 1.00 52.15 C ATOM 1026 C LEU A 66 3.792 -8.445 1.024 1.00 63.11 C ATOM 1027 O LEU A 66 4.500 -7.696 0.369 1.00 75.10 O ATOM 1028 CB LEU A 66 3.193 -7.358 3.221 1.00 61.34 C ATOM 1029 CG LEU A 66 3.660 -8.338 4.331 1.00 45.40 C ATOM 1030 CD1 LEU A 66 2.490 -9.086 4.946 1.00 41.41 C ATOM 1031 CD2 LEU A 66 4.711 -9.321 3.835 1.00 63.33 C ATOM 0 H LEU A 66 1.392 -9.209 2.903 1.00 71.31 H new ATOM 0 HA LEU A 66 2.225 -7.022 1.366 1.00 52.15 H new ATOM 0 HB2 LEU A 66 4.035 -6.702 2.998 1.00 61.34 H new ATOM 0 HB3 LEU A 66 2.409 -6.735 3.653 1.00 61.34 H new ATOM 0 HG LEU A 66 4.122 -7.722 5.103 1.00 45.40 H new ATOM 0 HD11 LEU A 66 2.856 -9.762 5.719 1.00 41.41 H new ATOM 0 HD12 LEU A 66 1.794 -8.373 5.388 1.00 41.41 H new ATOM 0 HD13 LEU A 66 1.979 -9.661 4.173 1.00 41.41 H new ATOM 0 HD21 LEU A 66 5.003 -9.983 4.650 1.00 63.33 H new ATOM 0 HD22 LEU A 66 4.299 -9.912 3.017 1.00 63.33 H new ATOM 0 HD23 LEU A 66 5.584 -8.773 3.482 1.00 63.33 H new ATOM 1043 N ASP A 67 3.961 -9.760 1.030 1.00 73.03 N ATOM 1044 CA ASP A 67 4.973 -10.375 0.191 1.00 50.24 C ATOM 1045 C ASP A 67 4.577 -10.151 -1.248 1.00 60.44 C ATOM 1046 O ASP A 67 5.365 -9.663 -2.063 1.00 40.12 O ATOM 1047 CB ASP A 67 5.111 -11.870 0.488 1.00 41.43 C ATOM 1048 CG ASP A 67 6.132 -12.554 -0.406 1.00 3.53 C ATOM 1049 OD1 ASP A 67 7.349 -12.350 -0.195 1.00 10.20 O ATOM 1050 OD2 ASP A 67 5.724 -13.314 -1.312 1.00 54.53 O ATOM 0 H ASP A 67 3.418 -10.411 1.598 1.00 73.03 H new ATOM 0 HA ASP A 67 5.944 -9.923 0.393 1.00 50.24 H new ATOM 0 HB2 ASP A 67 5.400 -12.004 1.531 1.00 41.43 H new ATOM 0 HB3 ASP A 67 4.142 -12.352 0.361 1.00 41.43 H new ATOM 1055 N ALA A 68 3.316 -10.450 -1.535 1.00 43.53 N ATOM 1056 CA ALA A 68 2.769 -10.226 -2.868 1.00 23.50 C ATOM 1057 C ALA A 68 2.847 -8.745 -3.262 1.00 74.35 C ATOM 1058 O ALA A 68 3.369 -8.395 -4.330 1.00 55.12 O ATOM 1059 CB ALA A 68 1.333 -10.722 -2.936 1.00 53.13 C ATOM 0 H ALA A 68 2.655 -10.846 -0.866 1.00 43.53 H new ATOM 0 HA ALA A 68 3.371 -10.790 -3.580 1.00 23.50 H new ATOM 0 HB1 ALA A 68 0.935 -10.549 -3.936 1.00 53.13 H new ATOM 0 HB2 ALA A 68 1.306 -11.789 -2.714 1.00 53.13 H new ATOM 0 HB3 ALA A 68 0.727 -10.184 -2.207 1.00 53.13 H new ATOM 1065 N LEU A 69 2.363 -7.876 -2.384 1.00 64.05 N ATOM 1066 CA LEU A 69 2.255 -6.462 -2.703 1.00 43.04 C ATOM 1067 C LEU A 69 3.604 -5.759 -2.665 1.00 2.41 C ATOM 1068 O LEU A 69 3.742 -4.708 -3.258 1.00 2.31 O ATOM 1069 CB LEU A 69 1.231 -5.743 -1.796 1.00 42.33 C ATOM 1070 CG LEU A 69 1.516 -5.725 -0.283 1.00 70.34 C ATOM 1071 CD1 LEU A 69 2.569 -4.689 0.079 1.00 43.21 C ATOM 1072 CD2 LEU A 69 0.238 -5.461 0.493 1.00 60.21 C ATOM 0 H LEU A 69 2.041 -8.126 -1.449 1.00 64.05 H new ATOM 0 HA LEU A 69 1.887 -6.406 -3.728 1.00 43.04 H new ATOM 0 HB2 LEU A 69 1.147 -4.711 -2.135 1.00 42.33 H new ATOM 0 HB3 LEU A 69 0.258 -6.210 -1.950 1.00 42.33 H new ATOM 0 HG LEU A 69 1.905 -6.706 -0.011 1.00 70.34 H new ATOM 0 HD11 LEU A 69 2.742 -4.707 1.155 1.00 43.21 H new ATOM 0 HD12 LEU A 69 3.499 -4.918 -0.442 1.00 43.21 H new ATOM 0 HD13 LEU A 69 2.222 -3.699 -0.216 1.00 43.21 H new ATOM 0 HD21 LEU A 69 0.456 -5.451 1.561 1.00 60.21 H new ATOM 0 HD22 LEU A 69 -0.174 -4.496 0.198 1.00 60.21 H new ATOM 0 HD23 LEU A 69 -0.487 -6.246 0.278 1.00 60.21 H new ATOM 1084 N ASP A 70 4.591 -6.314 -1.973 1.00 70.01 N ATOM 1085 CA ASP A 70 5.912 -5.688 -1.948 1.00 62.14 C ATOM 1086 C ASP A 70 6.665 -5.972 -3.225 1.00 32.21 C ATOM 1087 O ASP A 70 7.412 -5.126 -3.691 1.00 54.03 O ATOM 1088 CB ASP A 70 6.755 -6.118 -0.755 1.00 64.43 C ATOM 1089 CG ASP A 70 6.797 -5.056 0.330 1.00 22.01 C ATOM 1090 OD1 ASP A 70 5.721 -4.657 0.832 1.00 33.42 O ATOM 1091 OD2 ASP A 70 7.904 -4.599 0.678 1.00 32.02 O ATOM 0 H ASP A 70 4.509 -7.175 -1.433 1.00 70.01 H new ATOM 0 HA ASP A 70 5.734 -4.617 -1.853 1.00 62.14 H new ATOM 0 HB2 ASP A 70 6.351 -7.042 -0.341 1.00 64.43 H new ATOM 0 HB3 ASP A 70 7.770 -6.335 -1.089 1.00 64.43 H new ATOM 1096 N GLN A 71 6.485 -7.164 -3.785 1.00 65.22 N ATOM 1097 CA GLN A 71 7.007 -7.437 -5.121 1.00 73.33 C ATOM 1098 C GLN A 71 6.467 -6.386 -6.076 1.00 70.54 C ATOM 1099 O GLN A 71 7.220 -5.702 -6.779 1.00 2.45 O ATOM 1100 CB GLN A 71 6.578 -8.817 -5.606 1.00 23.31 C ATOM 1101 CG GLN A 71 7.125 -9.959 -4.780 1.00 10.22 C ATOM 1102 CD GLN A 71 6.310 -11.214 -4.967 1.00 23.41 C ATOM 1103 OE1 GLN A 71 6.589 -12.039 -5.841 1.00 62.12 O ATOM 1104 NE2 GLN A 71 5.279 -11.354 -4.156 1.00 32.24 N ATOM 0 H GLN A 71 5.993 -7.942 -3.346 1.00 65.22 H new ATOM 0 HA GLN A 71 8.096 -7.408 -5.086 1.00 73.33 H new ATOM 0 HB2 GLN A 71 5.489 -8.869 -5.603 1.00 23.31 H new ATOM 0 HB3 GLN A 71 6.900 -8.943 -6.640 1.00 23.31 H new ATOM 0 HG2 GLN A 71 8.160 -10.150 -5.062 1.00 10.22 H new ATOM 0 HG3 GLN A 71 7.128 -9.679 -3.727 1.00 10.22 H new ATOM 0 HE21 GLN A 71 5.087 -10.645 -3.448 1.00 32.24 H new ATOM 0 HE22 GLN A 71 4.674 -12.171 -4.237 1.00 32.24 H new ATOM 1113 N LEU A 72 5.146 -6.253 -6.057 1.00 10.21 N ATOM 1114 CA LEU A 72 4.458 -5.263 -6.866 1.00 52.35 C ATOM 1115 C LEU A 72 4.980 -3.860 -6.564 1.00 40.10 C ATOM 1116 O LEU A 72 5.545 -3.202 -7.423 1.00 12.33 O ATOM 1117 CB LEU A 72 2.953 -5.332 -6.597 1.00 3.14 C ATOM 1118 CG LEU A 72 2.312 -6.704 -6.822 1.00 40.13 C ATOM 1119 CD1 LEU A 72 0.857 -6.688 -6.387 1.00 22.43 C ATOM 1120 CD2 LEU A 72 2.432 -7.114 -8.283 1.00 14.41 C ATOM 0 H LEU A 72 4.528 -6.826 -5.483 1.00 10.21 H new ATOM 0 HA LEU A 72 4.647 -5.480 -7.917 1.00 52.35 H new ATOM 0 HB2 LEU A 72 2.770 -5.028 -5.566 1.00 3.14 H new ATOM 0 HB3 LEU A 72 2.452 -4.606 -7.237 1.00 3.14 H new ATOM 0 HG LEU A 72 2.842 -7.438 -6.216 1.00 40.13 H new ATOM 0 HD11 LEU A 72 0.417 -7.671 -6.554 1.00 22.43 H new ATOM 0 HD12 LEU A 72 0.797 -6.438 -5.328 1.00 22.43 H new ATOM 0 HD13 LEU A 72 0.312 -5.943 -6.967 1.00 22.43 H new ATOM 0 HD21 LEU A 72 1.971 -8.092 -8.426 1.00 14.41 H new ATOM 0 HD22 LEU A 72 1.926 -6.380 -8.910 1.00 14.41 H new ATOM 0 HD23 LEU A 72 3.485 -7.165 -8.561 1.00 14.41 H new ATOM 1132 N ARG A 73 4.825 -3.421 -5.326 1.00 21.22 N ATOM 1133 CA ARG A 73 5.173 -2.058 -4.953 1.00 55.21 C ATOM 1134 C ARG A 73 6.650 -1.765 -5.172 1.00 60.10 C ATOM 1135 O ARG A 73 6.983 -0.724 -5.694 1.00 15.33 O ATOM 1136 CB ARG A 73 4.827 -1.761 -3.501 1.00 23.44 C ATOM 1137 CG ARG A 73 3.341 -1.798 -3.169 1.00 53.21 C ATOM 1138 CD ARG A 73 3.108 -1.378 -1.724 1.00 62.53 C ATOM 1139 NE ARG A 73 4.097 -1.977 -0.828 1.00 5.14 N ATOM 1140 CZ ARG A 73 5.216 -1.364 -0.453 1.00 50.40 C ATOM 1141 NH1 ARG A 73 5.428 -0.101 -0.803 1.00 62.22 N ATOM 1142 NH2 ARG A 73 6.119 -2.009 0.260 1.00 12.04 N ATOM 0 H ARG A 73 4.460 -3.988 -4.561 1.00 21.22 H new ATOM 0 HA ARG A 73 4.581 -1.414 -5.603 1.00 55.21 H new ATOM 0 HB2 ARG A 73 5.343 -2.481 -2.866 1.00 23.44 H new ATOM 0 HB3 ARG A 73 5.216 -0.775 -3.246 1.00 23.44 H new ATOM 0 HG2 ARG A 73 2.796 -1.134 -3.840 1.00 53.21 H new ATOM 0 HG3 ARG A 73 2.951 -2.803 -3.329 1.00 53.21 H new ATOM 0 HD2 ARG A 73 3.156 -0.292 -1.647 1.00 62.53 H new ATOM 0 HD3 ARG A 73 2.106 -1.676 -1.414 1.00 62.53 H new ATOM 0 HE ARG A 73 3.919 -2.916 -0.471 1.00 5.14 H new ATOM 0 HH11 ARG A 73 4.733 0.398 -1.359 1.00 62.22 H new ATOM 0 HH12 ARG A 73 6.286 0.371 -0.516 1.00 62.22 H new ATOM 0 HH21 ARG A 73 5.960 -2.981 0.525 1.00 12.04 H new ATOM 0 HH22 ARG A 73 6.976 -1.536 0.546 1.00 12.04 H new ATOM 1156 N THR A 74 7.538 -2.667 -4.787 1.00 13.40 N ATOM 1157 CA THR A 74 8.961 -2.395 -4.934 1.00 62.41 C ATOM 1158 C THR A 74 9.271 -2.069 -6.397 1.00 64.34 C ATOM 1159 O THR A 74 9.858 -1.027 -6.705 1.00 43.44 O ATOM 1160 CB THR A 74 9.855 -3.572 -4.428 1.00 12.33 C ATOM 1161 OG1 THR A 74 11.174 -3.096 -4.129 1.00 74.45 O ATOM 1162 CG2 THR A 74 9.969 -4.702 -5.446 1.00 72.44 C ATOM 0 H THR A 74 7.309 -3.574 -4.380 1.00 13.40 H new ATOM 0 HA THR A 74 9.200 -1.536 -4.307 1.00 62.41 H new ATOM 0 HB THR A 74 9.372 -3.966 -3.534 1.00 12.33 H new ATOM 0 HG1 THR A 74 11.726 -3.841 -3.811 1.00 74.45 H new ATOM 0 HG21 THR A 74 10.601 -5.493 -5.042 1.00 72.44 H new ATOM 0 HG22 THR A 74 8.978 -5.102 -5.658 1.00 72.44 H new ATOM 0 HG23 THR A 74 10.410 -4.319 -6.367 1.00 72.44 H new ATOM 1170 N GLU A 75 8.763 -2.906 -7.295 1.00 52.21 N ATOM 1171 CA GLU A 75 9.147 -2.853 -8.684 1.00 32.40 C ATOM 1172 C GLU A 75 8.275 -1.869 -9.463 1.00 5.35 C ATOM 1173 O GLU A 75 8.677 -1.364 -10.503 1.00 35.35 O ATOM 1174 CB GLU A 75 9.049 -4.260 -9.272 1.00 42.44 C ATOM 1175 CG GLU A 75 9.941 -4.480 -10.486 1.00 2.32 C ATOM 1176 CD GLU A 75 11.419 -4.404 -10.144 1.00 21.42 C ATOM 1177 OE1 GLU A 75 11.960 -3.286 -10.043 1.00 73.53 O ATOM 1178 OE2 GLU A 75 12.051 -5.465 -9.969 1.00 42.13 O ATOM 0 H GLU A 75 8.080 -3.631 -7.075 1.00 52.21 H new ATOM 0 HA GLU A 75 10.174 -2.496 -8.762 1.00 32.40 H new ATOM 0 HB2 GLU A 75 9.313 -4.985 -8.502 1.00 42.44 H new ATOM 0 HB3 GLU A 75 8.014 -4.456 -9.553 1.00 42.44 H new ATOM 0 HG2 GLU A 75 9.722 -5.455 -10.922 1.00 2.32 H new ATOM 0 HG3 GLU A 75 9.708 -3.732 -11.244 1.00 2.32 H new ATOM 1185 N LEU A 76 7.087 -1.590 -8.946 1.00 51.15 N ATOM 1186 CA LEU A 76 6.148 -0.695 -9.620 1.00 3.01 C ATOM 1187 C LEU A 76 6.216 0.727 -9.045 1.00 51.05 C ATOM 1188 O LEU A 76 6.119 1.707 -9.780 1.00 61.14 O ATOM 1189 CB LEU A 76 4.714 -1.249 -9.520 1.00 55.11 C ATOM 1190 CG LEU A 76 4.345 -2.393 -10.493 1.00 21.22 C ATOM 1191 CD1 LEU A 76 5.278 -3.590 -10.359 1.00 43.24 C ATOM 1192 CD2 LEU A 76 2.911 -2.841 -10.259 1.00 5.54 C ATOM 0 H LEU A 76 6.747 -1.969 -8.062 1.00 51.15 H new ATOM 0 HA LEU A 76 6.433 -0.642 -10.671 1.00 3.01 H new ATOM 0 HB2 LEU A 76 4.556 -1.604 -8.501 1.00 55.11 H new ATOM 0 HB3 LEU A 76 4.018 -0.426 -9.683 1.00 55.11 H new ATOM 0 HG LEU A 76 4.452 -1.998 -11.503 1.00 21.22 H new ATOM 0 HD11 LEU A 76 4.978 -4.366 -11.063 1.00 43.24 H new ATOM 0 HD12 LEU A 76 6.301 -3.280 -10.575 1.00 43.24 H new ATOM 0 HD13 LEU A 76 5.224 -3.981 -9.343 1.00 43.24 H new ATOM 0 HD21 LEU A 76 2.664 -3.647 -10.950 1.00 5.54 H new ATOM 0 HD22 LEU A 76 2.804 -3.197 -9.234 1.00 5.54 H new ATOM 0 HD23 LEU A 76 2.236 -2.001 -10.424 1.00 5.54 H new ATOM 1204 N LEU A 77 6.409 0.833 -7.736 1.00 62.23 N ATOM 1205 CA LEU A 77 6.460 2.126 -7.049 1.00 63.45 C ATOM 1206 C LEU A 77 7.804 2.812 -7.290 1.00 72.42 C ATOM 1207 O LEU A 77 7.862 4.034 -7.419 1.00 62.23 O ATOM 1208 CB LEU A 77 6.183 1.934 -5.537 1.00 32.00 C ATOM 1209 CG LEU A 77 6.250 3.170 -4.633 1.00 34.24 C ATOM 1210 CD1 LEU A 77 5.450 2.916 -3.365 1.00 31.12 C ATOM 1211 CD2 LEU A 77 7.686 3.510 -4.259 1.00 74.44 C ATOM 0 H LEU A 77 6.535 0.031 -7.119 1.00 62.23 H new ATOM 0 HA LEU A 77 5.685 2.775 -7.456 1.00 63.45 H new ATOM 0 HB2 LEU A 77 5.190 1.496 -5.432 1.00 32.00 H new ATOM 0 HB3 LEU A 77 6.896 1.202 -5.157 1.00 32.00 H new ATOM 0 HG LEU A 77 5.831 4.012 -5.183 1.00 34.24 H new ATOM 0 HD11 LEU A 77 5.498 3.795 -2.722 1.00 31.12 H new ATOM 0 HD12 LEU A 77 4.411 2.713 -3.625 1.00 31.12 H new ATOM 0 HD13 LEU A 77 5.867 2.058 -2.838 1.00 31.12 H new ATOM 0 HD21 LEU A 77 7.696 4.391 -3.618 1.00 74.44 H new ATOM 0 HD22 LEU A 77 8.132 2.669 -3.728 1.00 74.44 H new ATOM 0 HD23 LEU A 77 8.259 3.713 -5.164 1.00 74.44 H new ATOM 1223 N ARG A 78 8.880 2.022 -7.379 1.00 13.13 N ATOM 1224 CA ARG A 78 10.226 2.571 -7.604 1.00 75.00 C ATOM 1225 C ARG A 78 10.291 3.476 -8.840 1.00 62.33 C ATOM 1226 O ARG A 78 11.168 4.337 -8.945 1.00 12.33 O ATOM 1227 CB ARG A 78 11.220 1.432 -7.794 1.00 40.54 C ATOM 1228 CG ARG A 78 10.905 0.583 -9.015 1.00 4.13 C ATOM 1229 CD ARG A 78 11.966 -0.464 -9.262 1.00 74.33 C ATOM 1230 NE ARG A 78 13.238 0.138 -9.647 1.00 44.44 N ATOM 1231 CZ ARG A 78 14.078 -0.391 -10.532 1.00 63.30 C ATOM 1232 NH1 ARG A 78 13.816 -1.568 -11.091 1.00 72.34 N ATOM 1233 NH2 ARG A 78 15.198 0.253 -10.835 1.00 74.14 N ATOM 0 H ARG A 78 8.848 1.006 -7.299 1.00 13.13 H new ATOM 0 HA ARG A 78 10.474 3.169 -6.727 1.00 75.00 H new ATOM 0 HB2 ARG A 78 12.225 1.843 -7.891 1.00 40.54 H new ATOM 0 HB3 ARG A 78 11.218 0.800 -6.906 1.00 40.54 H new ATOM 0 HG2 ARG A 78 9.939 0.096 -8.879 1.00 4.13 H new ATOM 0 HG3 ARG A 78 10.818 1.225 -9.891 1.00 4.13 H new ATOM 0 HD2 ARG A 78 12.104 -1.062 -8.361 1.00 74.33 H new ATOM 0 HD3 ARG A 78 11.632 -1.143 -10.047 1.00 74.33 H new ATOM 0 HE ARG A 78 13.500 1.021 -9.209 1.00 44.44 H new ATOM 0 HH11 ARG A 78 12.965 -2.073 -10.842 1.00 72.34 H new ATOM 0 HH12 ARG A 78 14.466 -1.967 -11.769 1.00 72.34 H new ATOM 0 HH21 ARG A 78 15.409 1.146 -10.390 1.00 74.14 H new ATOM 0 HH22 ARG A 78 15.848 -0.145 -11.513 1.00 74.14 H new ATOM 1247 N ARG A 79 9.371 3.276 -9.772 1.00 70.30 N ATOM 1248 CA ARG A 79 9.433 3.951 -11.062 1.00 31.22 C ATOM 1249 C ARG A 79 8.306 4.972 -11.218 1.00 50.44 C ATOM 1250 O ARG A 79 7.938 5.339 -12.333 1.00 22.10 O ATOM 1251 CB ARG A 79 9.396 2.906 -12.184 1.00 44.24 C ATOM 1252 CG ARG A 79 8.282 1.881 -12.036 1.00 61.34 C ATOM 1253 CD ARG A 79 8.531 0.660 -12.904 1.00 63.03 C ATOM 1254 NE ARG A 79 7.506 -0.363 -12.714 1.00 21.30 N ATOM 1255 CZ ARG A 79 6.696 -0.810 -13.675 1.00 64.51 C ATOM 1256 NH1 ARG A 79 6.725 -0.268 -14.885 1.00 63.21 N ATOM 1257 NH2 ARG A 79 5.845 -1.795 -13.414 1.00 71.34 N ATOM 0 H ARG A 79 8.572 2.652 -9.660 1.00 70.30 H new ATOM 0 HA ARG A 79 10.369 4.506 -11.122 1.00 31.22 H new ATOM 0 HB2 ARG A 79 9.281 3.417 -13.140 1.00 44.24 H new ATOM 0 HB3 ARG A 79 10.353 2.386 -12.214 1.00 44.24 H new ATOM 0 HG2 ARG A 79 8.202 1.577 -10.992 1.00 61.34 H new ATOM 0 HG3 ARG A 79 7.330 2.335 -12.309 1.00 61.34 H new ATOM 0 HD2 ARG A 79 8.555 0.959 -13.952 1.00 63.03 H new ATOM 0 HD3 ARG A 79 9.510 0.241 -12.669 1.00 63.03 H new ATOM 0 HE ARG A 79 7.402 -0.763 -11.782 1.00 21.30 H new ATOM 0 HH11 ARG A 79 7.370 0.496 -15.086 1.00 63.21 H new ATOM 0 HH12 ARG A 79 6.102 -0.615 -15.614 1.00 63.21 H new ATOM 0 HH21 ARG A 79 5.812 -2.207 -12.481 1.00 71.34 H new ATOM 0 HH22 ARG A 79 5.224 -2.140 -14.146 1.00 71.34 H new ATOM 1271 N GLY A 80 7.784 5.449 -10.097 1.00 73.13 N ATOM 1272 CA GLY A 80 6.748 6.462 -10.140 1.00 74.41 C ATOM 1273 C GLY A 80 6.728 7.303 -8.883 1.00 3.42 C ATOM 1274 O GLY A 80 7.419 6.991 -7.911 1.00 53.21 O ATOM 0 H GLY A 80 8.058 5.154 -9.160 1.00 73.13 H new ATOM 0 HA2 GLY A 80 6.906 7.106 -11.005 1.00 74.41 H new ATOM 0 HA3 GLY A 80 5.778 5.983 -10.272 1.00 74.41 H new ATOM 1278 N ILE A 81 5.949 8.374 -8.900 1.00 2.41 N ATOM 1279 CA ILE A 81 5.769 9.202 -7.716 1.00 71.11 C ATOM 1280 C ILE A 81 4.679 8.602 -6.826 1.00 5.41 C ATOM 1281 O ILE A 81 3.493 8.914 -6.941 1.00 63.34 O ATOM 1282 CB ILE A 81 5.463 10.679 -8.085 1.00 2.40 C ATOM 1283 CG1 ILE A 81 5.129 11.506 -6.837 1.00 62.40 C ATOM 1284 CG2 ILE A 81 4.343 10.771 -9.114 1.00 23.20 C ATOM 1285 CD1 ILE A 81 6.281 11.631 -5.861 1.00 73.02 C ATOM 0 H ILE A 81 5.431 8.690 -9.720 1.00 2.41 H new ATOM 0 HA ILE A 81 6.705 9.214 -7.157 1.00 71.11 H new ATOM 0 HB ILE A 81 6.364 11.098 -8.533 1.00 2.40 H new ATOM 0 HG12 ILE A 81 4.817 12.504 -7.146 1.00 62.40 H new ATOM 0 HG13 ILE A 81 4.280 11.050 -6.327 1.00 62.40 H new ATOM 0 HG21 ILE A 81 4.152 11.818 -9.352 1.00 23.20 H new ATOM 0 HG22 ILE A 81 4.637 10.241 -10.020 1.00 23.20 H new ATOM 0 HG23 ILE A 81 3.438 10.320 -8.708 1.00 23.20 H new ATOM 0 HD11 ILE A 81 5.969 12.229 -5.005 1.00 73.02 H new ATOM 0 HD12 ILE A 81 6.580 10.639 -5.522 1.00 73.02 H new ATOM 0 HD13 ILE A 81 7.124 12.115 -6.354 1.00 73.02 H new ATOM 1297 N VAL A 82 5.101 7.696 -5.965 1.00 70.25 N ATOM 1298 CA VAL A 82 4.195 6.959 -5.103 1.00 14.23 C ATOM 1299 C VAL A 82 4.945 6.461 -3.875 1.00 45.12 C ATOM 1300 O VAL A 82 6.150 6.233 -3.943 1.00 71.14 O ATOM 1301 CB VAL A 82 3.542 5.777 -5.873 1.00 41.40 C ATOM 1302 CG1 VAL A 82 4.562 5.065 -6.747 1.00 24.33 C ATOM 1303 CG2 VAL A 82 2.882 4.787 -4.923 1.00 74.53 C ATOM 0 H VAL A 82 6.083 7.449 -5.843 1.00 70.25 H new ATOM 0 HA VAL A 82 3.395 7.625 -4.778 1.00 14.23 H new ATOM 0 HB VAL A 82 2.768 6.199 -6.514 1.00 41.40 H new ATOM 0 HG11 VAL A 82 4.078 4.243 -7.274 1.00 24.33 H new ATOM 0 HG12 VAL A 82 4.974 5.768 -7.471 1.00 24.33 H new ATOM 0 HG13 VAL A 82 5.366 4.673 -6.123 1.00 24.33 H new ATOM 0 HG21 VAL A 82 2.436 3.974 -5.496 1.00 74.53 H new ATOM 0 HG22 VAL A 82 3.630 4.382 -4.242 1.00 74.53 H new ATOM 0 HG23 VAL A 82 2.106 5.295 -4.350 1.00 74.53 H new ATOM 1313 N PHE A 83 4.250 6.342 -2.746 1.00 13.15 N ATOM 1314 CA PHE A 83 4.880 5.841 -1.517 1.00 74.40 C ATOM 1315 C PHE A 83 3.931 4.928 -0.731 1.00 73.22 C ATOM 1316 O PHE A 83 2.861 4.564 -1.220 1.00 65.51 O ATOM 1317 CB PHE A 83 5.341 7.001 -0.633 1.00 52.21 C ATOM 1318 CG PHE A 83 6.459 7.818 -1.220 1.00 23.23 C ATOM 1319 CD1 PHE A 83 7.770 7.369 -1.155 1.00 72.32 C ATOM 1320 CD2 PHE A 83 6.201 9.037 -1.826 1.00 14.12 C ATOM 1321 CE1 PHE A 83 8.800 8.123 -1.685 1.00 65.41 C ATOM 1322 CE2 PHE A 83 7.226 9.794 -2.360 1.00 13.02 C ATOM 1323 CZ PHE A 83 8.528 9.336 -2.287 1.00 41.24 C ATOM 0 H PHE A 83 3.263 6.581 -2.652 1.00 13.15 H new ATOM 0 HA PHE A 83 5.749 5.254 -1.813 1.00 74.40 H new ATOM 0 HB2 PHE A 83 4.491 7.655 -0.439 1.00 52.21 H new ATOM 0 HB3 PHE A 83 5.663 6.604 0.329 1.00 52.21 H new ATOM 0 HD1 PHE A 83 7.988 6.421 -0.686 1.00 72.32 H new ATOM 0 HD2 PHE A 83 5.185 9.400 -1.882 1.00 14.12 H new ATOM 0 HE1 PHE A 83 9.817 7.764 -1.628 1.00 65.41 H new ATOM 0 HE2 PHE A 83 7.011 10.741 -2.833 1.00 13.02 H new ATOM 0 HZ PHE A 83 9.332 9.926 -2.700 1.00 41.24 H new ATOM 1333 N ALA A 84 4.337 4.556 0.486 1.00 74.01 N ATOM 1334 CA ALA A 84 3.536 3.674 1.334 1.00 30.31 C ATOM 1335 C ALA A 84 3.901 3.838 2.810 1.00 63.42 C ATOM 1336 O ALA A 84 5.071 4.008 3.147 1.00 3.44 O ATOM 1337 CB ALA A 84 3.724 2.227 0.914 1.00 15.23 C ATOM 0 H ALA A 84 5.218 4.854 0.905 1.00 74.01 H new ATOM 0 HA ALA A 84 2.490 3.953 1.209 1.00 30.31 H new ATOM 0 HB1 ALA A 84 3.122 1.581 1.554 1.00 15.23 H new ATOM 0 HB2 ALA A 84 3.410 2.105 -0.123 1.00 15.23 H new ATOM 0 HB3 ALA A 84 4.775 1.954 1.009 1.00 15.23 H new ATOM 1343 N MET A 85 2.898 3.771 3.685 1.00 64.43 N ATOM 1344 CA MET A 85 3.118 3.935 5.126 1.00 74.51 C ATOM 1345 C MET A 85 1.976 3.334 5.939 1.00 5.44 C ATOM 1346 O MET A 85 0.890 3.087 5.414 1.00 61.44 O ATOM 1347 CB MET A 85 3.259 5.411 5.485 1.00 14.03 C ATOM 1348 CG MET A 85 2.185 6.288 4.856 1.00 20.54 C ATOM 1349 SD MET A 85 1.353 7.366 6.038 1.00 2.31 S ATOM 1350 CE MET A 85 0.401 6.165 6.964 1.00 63.22 C ATOM 0 H MET A 85 1.926 3.605 3.424 1.00 64.43 H new ATOM 0 HA MET A 85 4.040 3.407 5.371 1.00 74.51 H new ATOM 0 HB2 MET A 85 3.219 5.520 6.569 1.00 14.03 H new ATOM 0 HB3 MET A 85 4.240 5.764 5.166 1.00 14.03 H new ATOM 0 HG2 MET A 85 2.638 6.899 4.075 1.00 20.54 H new ATOM 0 HG3 MET A 85 1.444 5.651 4.373 1.00 20.54 H new ATOM 0 HE1 MET A 85 -0.633 6.502 7.042 1.00 63.22 H new ATOM 0 HE2 MET A 85 0.432 5.203 6.452 1.00 63.22 H new ATOM 0 HE3 MET A 85 0.824 6.058 7.963 1.00 63.22 H new ATOM 1360 N ALA A 86 2.216 3.131 7.233 1.00 73.42 N ATOM 1361 CA ALA A 86 1.201 2.576 8.119 1.00 1.21 C ATOM 1362 C ALA A 86 1.481 2.889 9.592 1.00 12.41 C ATOM 1363 O ALA A 86 2.314 3.741 9.918 1.00 62.33 O ATOM 1364 CB ALA A 86 1.100 1.069 7.911 1.00 41.34 C ATOM 0 H ALA A 86 3.104 3.343 7.688 1.00 73.42 H new ATOM 0 HA ALA A 86 0.251 3.047 7.865 1.00 1.21 H new ATOM 0 HB1 ALA A 86 0.340 0.660 8.576 1.00 41.34 H new ATOM 0 HB2 ALA A 86 0.826 0.862 6.876 1.00 41.34 H new ATOM 0 HB3 ALA A 86 2.062 0.606 8.131 1.00 41.34 H new ATOM 1370 N ARG A 87 0.727 2.215 10.464 1.00 75.52 N ATOM 1371 CA ARG A 87 0.937 2.244 11.916 1.00 2.02 C ATOM 1372 C ARG A 87 1.282 0.840 12.383 1.00 1.25 C ATOM 1373 O ARG A 87 1.284 0.540 13.576 1.00 75.34 O ATOM 1374 CB ARG A 87 -0.345 2.673 12.635 1.00 13.23 C ATOM 1375 CG ARG A 87 -1.517 1.746 12.341 1.00 42.42 C ATOM 1376 CD ARG A 87 -2.529 1.691 13.471 1.00 13.43 C ATOM 1377 NE ARG A 87 -2.020 0.956 14.634 1.00 34.15 N ATOM 1378 CZ ARG A 87 -2.772 0.602 15.682 1.00 71.41 C ATOM 1379 NH1 ARG A 87 -4.024 1.039 15.790 1.00 11.23 N ATOM 1380 NH2 ARG A 87 -2.259 -0.160 16.642 1.00 74.41 N ATOM 0 H ARG A 87 -0.056 1.626 10.180 1.00 75.52 H new ATOM 0 HA ARG A 87 1.737 2.949 12.142 1.00 2.02 H new ATOM 0 HB2 ARG A 87 -0.165 2.696 13.710 1.00 13.23 H new ATOM 0 HB3 ARG A 87 -0.604 3.688 12.334 1.00 13.23 H new ATOM 0 HG2 ARG A 87 -2.016 2.078 11.430 1.00 42.42 H new ATOM 0 HG3 ARG A 87 -1.139 0.742 12.150 1.00 42.42 H new ATOM 0 HD2 ARG A 87 -2.792 2.705 13.771 1.00 13.43 H new ATOM 0 HD3 ARG A 87 -3.443 1.217 13.115 1.00 13.43 H new ATOM 0 HE ARG A 87 -1.033 0.699 14.644 1.00 34.15 H new ATOM 0 HH11 ARG A 87 -4.416 1.648 15.071 1.00 11.23 H new ATOM 0 HH12 ARG A 87 -4.592 0.765 16.592 1.00 11.23 H new ATOM 0 HH21 ARG A 87 -1.291 -0.475 16.580 1.00 74.41 H new ATOM 0 HH22 ARG A 87 -2.833 -0.429 17.441 1.00 74.41 H new ATOM 1394 N VAL A 88 1.548 -0.015 11.415 1.00 3.23 N ATOM 1395 CA VAL A 88 1.620 -1.443 11.645 1.00 42.15 C ATOM 1396 C VAL A 88 2.925 -1.849 12.328 1.00 5.52 C ATOM 1397 O VAL A 88 3.937 -1.158 12.221 1.00 65.34 O ATOM 1398 CB VAL A 88 1.452 -2.201 10.312 1.00 14.30 C ATOM 1399 CG1 VAL A 88 2.637 -1.967 9.384 1.00 21.44 C ATOM 1400 CG2 VAL A 88 1.230 -3.681 10.560 1.00 42.13 C ATOM 0 H VAL A 88 1.720 0.261 10.448 1.00 3.23 H new ATOM 0 HA VAL A 88 0.806 -1.711 12.319 1.00 42.15 H new ATOM 0 HB VAL A 88 0.567 -1.806 9.812 1.00 14.30 H new ATOM 0 HG11 VAL A 88 2.485 -2.516 8.455 1.00 21.44 H new ATOM 0 HG12 VAL A 88 2.724 -0.902 9.167 1.00 21.44 H new ATOM 0 HG13 VAL A 88 3.551 -2.315 9.866 1.00 21.44 H new ATOM 0 HG21 VAL A 88 1.114 -4.196 9.607 1.00 42.13 H new ATOM 0 HG22 VAL A 88 2.087 -4.093 11.093 1.00 42.13 H new ATOM 0 HG23 VAL A 88 0.330 -3.819 11.159 1.00 42.13 H new ATOM 1410 N LYS A 89 2.881 -2.963 13.048 1.00 31.22 N ATOM 1411 CA LYS A 89 4.064 -3.503 13.710 1.00 44.13 C ATOM 1412 C LYS A 89 4.423 -4.877 13.138 1.00 62.14 C ATOM 1413 O LYS A 89 5.465 -5.443 13.452 1.00 43.01 O ATOM 1414 CB LYS A 89 3.850 -3.590 15.235 1.00 32.42 C ATOM 1415 CG LYS A 89 2.935 -4.723 15.712 1.00 23.44 C ATOM 1416 CD LYS A 89 1.486 -4.539 15.283 1.00 24.25 C ATOM 1417 CE LYS A 89 0.575 -5.558 15.952 1.00 25.51 C ATOM 1418 NZ LYS A 89 0.481 -5.339 17.417 1.00 21.54 N ATOM 0 H LYS A 89 2.034 -3.514 13.189 1.00 31.22 H new ATOM 0 HA LYS A 89 4.896 -2.824 13.522 1.00 44.13 H new ATOM 0 HB2 LYS A 89 4.822 -3.706 15.714 1.00 32.42 H new ATOM 0 HB3 LYS A 89 3.436 -2.643 15.580 1.00 32.42 H new ATOM 0 HG2 LYS A 89 3.306 -5.671 15.322 1.00 23.44 H new ATOM 0 HG3 LYS A 89 2.981 -4.786 16.799 1.00 23.44 H new ATOM 0 HD2 LYS A 89 1.155 -3.532 15.536 1.00 24.25 H new ATOM 0 HD3 LYS A 89 1.410 -4.637 14.200 1.00 24.25 H new ATOM 0 HE2 LYS A 89 -0.420 -5.499 15.512 1.00 25.51 H new ATOM 0 HE3 LYS A 89 0.950 -6.563 15.759 1.00 25.51 H new ATOM 0 HZ1 LYS A 89 -0.346 -5.846 17.791 1.00 21.54 H new ATOM 0 HZ2 LYS A 89 1.343 -5.695 17.877 1.00 21.54 H new ATOM 0 HZ3 LYS A 89 0.380 -4.322 17.610 1.00 21.54 H new ATOM 1432 N GLN A 90 3.556 -5.394 12.272 1.00 64.12 N ATOM 1433 CA GLN A 90 3.742 -6.720 11.691 1.00 5.12 C ATOM 1434 C GLN A 90 4.092 -6.618 10.208 1.00 32.44 C ATOM 1435 O GLN A 90 5.219 -6.918 9.789 1.00 11.11 O ATOM 1436 CB GLN A 90 2.455 -7.533 11.846 1.00 31.12 C ATOM 1437 CG GLN A 90 2.587 -8.974 11.386 1.00 33.31 C ATOM 1438 CD GLN A 90 1.263 -9.607 10.982 1.00 74.30 C ATOM 1439 OE1 GLN A 90 1.049 -10.800 11.206 1.00 41.44 O ATOM 1440 NE2 GLN A 90 0.390 -8.842 10.334 1.00 22.13 N ATOM 0 H GLN A 90 2.714 -4.912 11.956 1.00 64.12 H new ATOM 0 HA GLN A 90 4.562 -7.212 12.214 1.00 5.12 H new ATOM 0 HB2 GLN A 90 2.151 -7.521 12.893 1.00 31.12 H new ATOM 0 HB3 GLN A 90 1.660 -7.050 11.278 1.00 31.12 H new ATOM 0 HG2 GLN A 90 3.273 -9.015 10.540 1.00 33.31 H new ATOM 0 HG3 GLN A 90 3.033 -9.563 12.187 1.00 33.31 H new ATOM 0 HE21 GLN A 90 0.600 -7.858 10.166 1.00 22.13 H new ATOM 0 HE22 GLN A 90 -0.490 -9.239 10.005 1.00 22.13 H new ATOM 1449 N ASP A 91 3.102 -6.173 9.437 1.00 41.24 N ATOM 1450 CA ASP A 91 3.189 -6.085 7.982 1.00 54.11 C ATOM 1451 C ASP A 91 4.511 -5.505 7.518 1.00 72.44 C ATOM 1452 O ASP A 91 5.208 -6.119 6.724 1.00 40.31 O ATOM 1453 CB ASP A 91 2.052 -5.219 7.436 1.00 43.53 C ATOM 1454 CG ASP A 91 0.673 -5.779 7.742 1.00 75.02 C ATOM 1455 OD1 ASP A 91 0.395 -6.079 8.925 1.00 62.14 O ATOM 1456 OD2 ASP A 91 -0.142 -5.878 6.806 1.00 73.41 O ATOM 0 H ASP A 91 2.206 -5.860 9.810 1.00 41.24 H new ATOM 0 HA ASP A 91 3.110 -7.103 7.600 1.00 54.11 H new ATOM 0 HB2 ASP A 91 2.132 -4.217 7.858 1.00 43.53 H new ATOM 0 HB3 ASP A 91 2.166 -5.120 6.356 1.00 43.53 H new ATOM 1461 N LEU A 92 4.865 -4.332 8.035 1.00 23.51 N ATOM 1462 CA LEU A 92 6.051 -3.625 7.562 1.00 64.43 C ATOM 1463 C LEU A 92 7.308 -4.465 7.764 1.00 44.43 C ATOM 1464 O LEU A 92 8.201 -4.441 6.929 1.00 13.44 O ATOM 1465 CB LEU A 92 6.215 -2.255 8.244 1.00 30.40 C ATOM 1466 CG LEU A 92 6.896 -2.256 9.618 1.00 13.24 C ATOM 1467 CD1 LEU A 92 7.239 -0.838 10.038 1.00 1.03 C ATOM 1468 CD2 LEU A 92 6.012 -2.914 10.666 1.00 62.33 C ATOM 0 H LEU A 92 4.352 -3.854 8.776 1.00 23.51 H new ATOM 0 HA LEU A 92 5.911 -3.453 6.495 1.00 64.43 H new ATOM 0 HB2 LEU A 92 6.788 -1.608 7.579 1.00 30.40 H new ATOM 0 HB3 LEU A 92 5.227 -1.807 8.352 1.00 30.40 H new ATOM 0 HG LEU A 92 7.817 -2.834 9.538 1.00 13.24 H new ATOM 0 HD11 LEU A 92 7.722 -0.855 11.015 1.00 1.03 H new ATOM 0 HD12 LEU A 92 7.915 -0.395 9.307 1.00 1.03 H new ATOM 0 HD13 LEU A 92 6.327 -0.244 10.094 1.00 1.03 H new ATOM 0 HD21 LEU A 92 6.520 -2.901 11.630 1.00 62.33 H new ATOM 0 HD22 LEU A 92 5.072 -2.368 10.743 1.00 62.33 H new ATOM 0 HD23 LEU A 92 5.810 -3.945 10.376 1.00 62.33 H new ATOM 1480 N ARG A 93 7.361 -5.234 8.848 1.00 33.53 N ATOM 1481 CA ARG A 93 8.542 -6.031 9.147 1.00 71.01 C ATOM 1482 C ARG A 93 8.721 -7.121 8.106 1.00 63.43 C ATOM 1483 O ARG A 93 9.819 -7.322 7.578 1.00 73.33 O ATOM 1484 CB ARG A 93 8.464 -6.653 10.544 1.00 14.31 C ATOM 1485 CG ARG A 93 8.506 -5.636 11.671 1.00 42.01 C ATOM 1486 CD ARG A 93 8.767 -6.312 13.008 1.00 31.43 C ATOM 1487 NE ARG A 93 8.792 -5.360 14.118 1.00 41.51 N ATOM 1488 CZ ARG A 93 9.880 -4.699 14.520 1.00 32.14 C ATOM 1489 NH1 ARG A 93 11.030 -4.830 13.863 1.00 54.41 N ATOM 1490 NH2 ARG A 93 9.814 -3.898 15.578 1.00 54.14 N ATOM 0 H ARG A 93 6.605 -5.321 9.528 1.00 33.53 H new ATOM 0 HA ARG A 93 9.403 -5.363 9.123 1.00 71.01 H new ATOM 0 HB2 ARG A 93 7.543 -7.231 10.623 1.00 14.31 H new ATOM 0 HB3 ARG A 93 9.291 -7.352 10.667 1.00 14.31 H new ATOM 0 HG2 ARG A 93 9.286 -4.901 11.473 1.00 42.01 H new ATOM 0 HG3 ARG A 93 7.561 -5.094 11.712 1.00 42.01 H new ATOM 0 HD2 ARG A 93 7.995 -7.059 13.191 1.00 31.43 H new ATOM 0 HD3 ARG A 93 9.719 -6.841 12.965 1.00 31.43 H new ATOM 0 HE ARG A 93 7.920 -5.190 14.619 1.00 41.51 H new ATOM 0 HH11 ARG A 93 11.084 -5.439 13.046 1.00 54.41 H new ATOM 0 HH12 ARG A 93 11.857 -4.322 14.176 1.00 54.41 H new ATOM 0 HH21 ARG A 93 8.933 -3.789 16.081 1.00 54.14 H new ATOM 0 HH22 ARG A 93 10.644 -3.392 15.887 1.00 54.14 H new ATOM 1504 N GLU A 94 7.641 -7.814 7.780 1.00 75.45 N ATOM 1505 CA GLU A 94 7.736 -8.857 6.777 1.00 32.11 C ATOM 1506 C GLU A 94 7.696 -8.281 5.361 1.00 4.24 C ATOM 1507 O GLU A 94 8.116 -8.945 4.423 1.00 34.54 O ATOM 1508 CB GLU A 94 6.697 -9.965 6.999 1.00 35.42 C ATOM 1509 CG GLU A 94 5.286 -9.496 7.305 1.00 42.13 C ATOM 1510 CD GLU A 94 4.511 -10.549 8.069 1.00 61.53 C ATOM 1511 OE1 GLU A 94 4.184 -11.603 7.487 1.00 63.53 O ATOM 1512 OE2 GLU A 94 4.277 -10.353 9.279 1.00 52.33 O ATOM 0 H GLU A 94 6.714 -7.678 8.183 1.00 75.45 H new ATOM 0 HA GLU A 94 8.711 -9.331 6.891 1.00 32.11 H new ATOM 0 HB2 GLU A 94 6.666 -10.592 6.108 1.00 35.42 H new ATOM 0 HB3 GLU A 94 7.036 -10.596 7.821 1.00 35.42 H new ATOM 0 HG2 GLU A 94 5.325 -8.575 7.887 1.00 42.13 H new ATOM 0 HG3 GLU A 94 4.768 -9.263 6.375 1.00 42.13 H new ATOM 1519 N SER A 95 7.214 -7.045 5.208 1.00 2.25 N ATOM 1520 CA SER A 95 7.382 -6.307 3.951 1.00 33.34 C ATOM 1521 C SER A 95 8.856 -6.004 3.739 1.00 51.31 C ATOM 1522 O SER A 95 9.397 -6.170 2.644 1.00 4.21 O ATOM 1523 CB SER A 95 6.603 -4.989 3.972 1.00 43.24 C ATOM 1524 OG SER A 95 5.206 -5.205 3.960 1.00 15.42 O ATOM 0 H SER A 95 6.708 -6.536 5.933 1.00 2.25 H new ATOM 0 HA SER A 95 6.997 -6.925 3.140 1.00 33.34 H new ATOM 0 HB2 SER A 95 6.875 -4.420 4.861 1.00 43.24 H new ATOM 0 HB3 SER A 95 6.885 -4.386 3.109 1.00 43.24 H new ATOM 0 HG SER A 95 4.922 -5.556 4.830 1.00 15.42 H new ATOM 1530 N LEU A 96 9.490 -5.553 4.814 1.00 72.01 N ATOM 1531 CA LEU A 96 10.924 -5.318 4.849 1.00 22.33 C ATOM 1532 C LEU A 96 11.667 -6.526 4.291 1.00 61.11 C ATOM 1533 O LEU A 96 12.546 -6.397 3.437 1.00 32.33 O ATOM 1534 CB LEU A 96 11.358 -5.071 6.298 1.00 50.11 C ATOM 1535 CG LEU A 96 11.775 -3.636 6.659 1.00 13.43 C ATOM 1536 CD1 LEU A 96 12.827 -3.122 5.691 1.00 60.44 C ATOM 1537 CD2 LEU A 96 10.577 -2.700 6.696 1.00 3.01 C ATOM 0 H LEU A 96 9.018 -5.339 5.692 1.00 72.01 H new ATOM 0 HA LEU A 96 11.161 -4.446 4.239 1.00 22.33 H new ATOM 0 HB2 LEU A 96 10.537 -5.362 6.953 1.00 50.11 H new ATOM 0 HB3 LEU A 96 12.194 -5.734 6.521 1.00 50.11 H new ATOM 0 HG LEU A 96 12.208 -3.660 7.659 1.00 13.43 H new ATOM 0 HD11 LEU A 96 13.108 -2.105 5.965 1.00 60.44 H new ATOM 0 HD12 LEU A 96 13.706 -3.765 5.734 1.00 60.44 H new ATOM 0 HD13 LEU A 96 12.423 -3.127 4.679 1.00 60.44 H new ATOM 0 HD21 LEU A 96 10.909 -1.694 6.954 1.00 3.01 H new ATOM 0 HD22 LEU A 96 10.098 -2.684 5.717 1.00 3.01 H new ATOM 0 HD23 LEU A 96 9.865 -3.050 7.443 1.00 3.01 H new ATOM 1549 N ARG A 97 11.278 -7.702 4.768 1.00 22.32 N ATOM 1550 CA ARG A 97 11.923 -8.944 4.358 1.00 12.32 C ATOM 1551 C ARG A 97 11.277 -9.541 3.103 1.00 3.31 C ATOM 1552 O ARG A 97 11.765 -10.532 2.563 1.00 24.01 O ATOM 1553 CB ARG A 97 11.882 -9.952 5.506 1.00 74.20 C ATOM 1554 CG ARG A 97 12.501 -9.421 6.790 1.00 12.14 C ATOM 1555 CD ARG A 97 13.979 -9.103 6.608 1.00 33.34 C ATOM 1556 NE ARG A 97 14.519 -8.338 7.731 1.00 65.32 N ATOM 1557 CZ ARG A 97 15.243 -8.866 8.714 1.00 23.12 C ATOM 1558 NH1 ARG A 97 15.538 -10.157 8.708 1.00 3.04 N ATOM 1559 NH2 ARG A 97 15.682 -8.098 9.701 1.00 34.31 N ATOM 0 H ARG A 97 10.519 -7.822 5.439 1.00 22.32 H new ATOM 0 HA ARG A 97 12.959 -8.714 4.110 1.00 12.32 H new ATOM 0 HB2 ARG A 97 10.846 -10.233 5.698 1.00 74.20 H new ATOM 0 HB3 ARG A 97 12.407 -10.858 5.204 1.00 74.20 H new ATOM 0 HG2 ARG A 97 11.971 -8.523 7.106 1.00 12.14 H new ATOM 0 HG3 ARG A 97 12.382 -10.158 7.584 1.00 12.14 H new ATOM 0 HD2 ARG A 97 14.539 -10.032 6.500 1.00 33.34 H new ATOM 0 HD3 ARG A 97 14.117 -8.539 5.686 1.00 33.34 H new ATOM 0 HE ARG A 97 14.329 -7.336 7.763 1.00 65.32 H new ATOM 0 HH11 ARG A 97 15.210 -10.752 7.947 1.00 3.04 H new ATOM 0 HH12 ARG A 97 16.094 -10.557 9.464 1.00 3.04 H new ATOM 0 HH21 ARG A 97 15.465 -7.101 9.707 1.00 34.31 H new ATOM 0 HH22 ARG A 97 16.237 -8.504 10.455 1.00 34.31 H new ATOM 1573 N ALA A 98 10.181 -8.949 2.645 1.00 25.24 N ATOM 1574 CA ALA A 98 9.513 -9.419 1.436 1.00 15.34 C ATOM 1575 C ALA A 98 10.165 -8.839 0.191 1.00 63.13 C ATOM 1576 O ALA A 98 10.581 -9.579 -0.703 1.00 25.22 O ATOM 1577 CB ALA A 98 8.036 -9.070 1.459 1.00 64.45 C ATOM 0 H ALA A 98 9.737 -8.146 3.090 1.00 25.24 H new ATOM 0 HA ALA A 98 9.613 -10.504 1.407 1.00 15.34 H new ATOM 0 HB1 ALA A 98 7.562 -9.432 0.546 1.00 64.45 H new ATOM 0 HB2 ALA A 98 7.565 -9.539 2.323 1.00 64.45 H new ATOM 0 HB3 ALA A 98 7.919 -7.988 1.524 1.00 64.45 H new ATOM 1583 N ALA A 99 10.247 -7.516 0.126 1.00 71.21 N ATOM 1584 CA ALA A 99 10.872 -6.858 -1.012 1.00 60.31 C ATOM 1585 C ALA A 99 12.376 -7.083 -0.991 1.00 3.52 C ATOM 1586 O ALA A 99 12.993 -7.304 -2.036 1.00 33.04 O ATOM 1587 CB ALA A 99 10.560 -5.368 -1.021 1.00 23.52 C ATOM 0 H ALA A 99 9.891 -6.883 0.842 1.00 71.21 H new ATOM 0 HA ALA A 99 10.463 -7.295 -1.923 1.00 60.31 H new ATOM 0 HB1 ALA A 99 11.039 -4.901 -1.882 1.00 23.52 H new ATOM 0 HB2 ALA A 99 9.482 -5.222 -1.083 1.00 23.52 H new ATOM 0 HB3 ALA A 99 10.936 -4.912 -0.105 1.00 23.52 H new ATOM 1593 N SER A 100 12.946 -7.017 0.217 1.00 51.42 N ATOM 1594 CA SER A 100 14.377 -7.243 0.452 1.00 1.41 C ATOM 1595 C SER A 100 15.250 -6.112 -0.100 1.00 22.21 C ATOM 1596 O SER A 100 16.128 -5.601 0.596 1.00 2.42 O ATOM 1597 CB SER A 100 14.821 -8.590 -0.130 1.00 23.41 C ATOM 1598 OG SER A 100 14.214 -9.669 0.563 1.00 53.12 O ATOM 0 H SER A 100 12.423 -6.803 1.066 1.00 51.42 H new ATOM 0 HA SER A 100 14.516 -7.260 1.533 1.00 1.41 H new ATOM 0 HB2 SER A 100 14.558 -8.638 -1.187 1.00 23.41 H new ATOM 0 HB3 SER A 100 15.906 -8.677 -0.067 1.00 23.41 H new ATOM 0 HG SER A 100 14.511 -10.517 0.172 1.00 53.12 H new ATOM 1604 N LEU A 101 15.004 -5.716 -1.343 1.00 41.23 N ATOM 1605 CA LEU A 101 15.839 -4.726 -2.009 1.00 62.13 C ATOM 1606 C LEU A 101 15.436 -3.302 -1.608 1.00 64.31 C ATOM 1607 O LEU A 101 14.984 -2.488 -2.430 1.00 61.35 O ATOM 1608 CB LEU A 101 15.761 -4.918 -3.526 1.00 35.20 C ATOM 1609 CG LEU A 101 16.908 -4.293 -4.324 1.00 62.03 C ATOM 1610 CD1 LEU A 101 18.255 -4.745 -3.779 1.00 13.03 C ATOM 1611 CD2 LEU A 101 16.781 -4.666 -5.792 1.00 75.44 C ATOM 0 H LEU A 101 14.232 -6.066 -1.910 1.00 41.23 H new ATOM 0 HA LEU A 101 16.872 -4.870 -1.692 1.00 62.13 H new ATOM 0 HB2 LEU A 101 15.732 -5.986 -3.739 1.00 35.20 H new ATOM 0 HB3 LEU A 101 14.821 -4.496 -3.881 1.00 35.20 H new ATOM 0 HG LEU A 101 16.848 -3.209 -4.226 1.00 62.03 H new ATOM 0 HD11 LEU A 101 19.055 -4.288 -4.362 1.00 13.03 H new ATOM 0 HD12 LEU A 101 18.346 -4.441 -2.736 1.00 13.03 H new ATOM 0 HD13 LEU A 101 18.330 -5.830 -3.848 1.00 13.03 H new ATOM 0 HD21 LEU A 101 17.601 -4.218 -6.354 1.00 75.44 H new ATOM 0 HD22 LEU A 101 16.820 -5.750 -5.897 1.00 75.44 H new ATOM 0 HD23 LEU A 101 15.831 -4.298 -6.180 1.00 75.44 H new ATOM 1623 N LEU A 102 15.617 -3.011 -0.326 1.00 41.40 N ATOM 1624 CA LEU A 102 15.352 -1.688 0.217 1.00 23.02 C ATOM 1625 C LEU A 102 16.355 -0.690 -0.322 1.00 63.01 C ATOM 1626 O LEU A 102 16.133 0.517 -0.294 1.00 71.53 O ATOM 1627 CB LEU A 102 15.422 -1.711 1.744 1.00 4.30 C ATOM 1628 CG LEU A 102 14.090 -1.929 2.457 1.00 51.10 C ATOM 1629 CD1 LEU A 102 13.164 -0.751 2.208 1.00 65.23 C ATOM 1630 CD2 LEU A 102 13.435 -3.227 2.007 1.00 3.30 C ATOM 0 H LEU A 102 15.951 -3.684 0.364 1.00 41.40 H new ATOM 0 HA LEU A 102 14.349 -1.389 -0.087 1.00 23.02 H new ATOM 0 HB2 LEU A 102 16.111 -2.500 2.047 1.00 4.30 H new ATOM 0 HB3 LEU A 102 15.848 -0.767 2.086 1.00 4.30 H new ATOM 0 HG LEU A 102 14.283 -2.005 3.527 1.00 51.10 H new ATOM 0 HD11 LEU A 102 12.217 -0.918 2.721 1.00 65.23 H new ATOM 0 HD12 LEU A 102 13.626 0.161 2.586 1.00 65.23 H new ATOM 0 HD13 LEU A 102 12.984 -0.650 1.138 1.00 65.23 H new ATOM 0 HD21 LEU A 102 12.488 -3.357 2.531 1.00 3.30 H new ATOM 0 HD22 LEU A 102 13.254 -3.190 0.933 1.00 3.30 H new ATOM 0 HD23 LEU A 102 14.094 -4.065 2.235 1.00 3.30 H new ATOM 1642 N ASP A 103 17.463 -1.210 -0.811 1.00 44.33 N ATOM 1643 CA ASP A 103 18.497 -0.388 -1.414 1.00 33.10 C ATOM 1644 C ASP A 103 18.043 0.126 -2.782 1.00 42.01 C ATOM 1645 O ASP A 103 18.671 1.003 -3.371 1.00 13.33 O ATOM 1646 CB ASP A 103 19.784 -1.202 -1.525 1.00 24.52 C ATOM 1647 CG ASP A 103 20.958 -0.384 -2.017 1.00 34.35 C ATOM 1648 OD1 ASP A 103 21.180 0.723 -1.486 1.00 22.33 O ATOM 1649 OD2 ASP A 103 21.669 -0.852 -2.931 1.00 53.14 O ATOM 0 H ASP A 103 17.673 -2.208 -0.803 1.00 44.33 H new ATOM 0 HA ASP A 103 18.686 0.482 -0.785 1.00 33.10 H new ATOM 0 HB2 ASP A 103 20.026 -1.625 -0.550 1.00 24.52 H new ATOM 0 HB3 ASP A 103 19.621 -2.039 -2.204 1.00 24.52 H new ATOM 1654 N LYS A 104 16.938 -0.419 -3.278 1.00 14.15 N ATOM 1655 CA LYS A 104 16.355 0.049 -4.526 1.00 63.14 C ATOM 1656 C LYS A 104 15.185 0.987 -4.258 1.00 0.22 C ATOM 1657 O LYS A 104 15.140 2.092 -4.793 1.00 33.15 O ATOM 1658 CB LYS A 104 15.900 -1.121 -5.399 1.00 0.42 C ATOM 1659 CG LYS A 104 15.214 -0.674 -6.680 1.00 51.44 C ATOM 1660 CD LYS A 104 14.998 -1.830 -7.643 1.00 73.21 C ATOM 1661 CE LYS A 104 13.996 -2.843 -7.112 1.00 53.03 C ATOM 1662 NZ LYS A 104 13.780 -3.956 -8.079 1.00 3.24 N ATOM 0 H LYS A 104 16.430 -1.184 -2.834 1.00 14.15 H new ATOM 0 HA LYS A 104 17.128 0.597 -5.064 1.00 63.14 H new ATOM 0 HB2 LYS A 104 16.764 -1.736 -5.651 1.00 0.42 H new ATOM 0 HB3 LYS A 104 15.217 -1.749 -4.828 1.00 0.42 H new ATOM 0 HG2 LYS A 104 14.253 -0.220 -6.437 1.00 51.44 H new ATOM 0 HG3 LYS A 104 15.816 0.094 -7.165 1.00 51.44 H new ATOM 0 HD2 LYS A 104 14.648 -1.443 -8.600 1.00 73.21 H new ATOM 0 HD3 LYS A 104 15.950 -2.327 -7.830 1.00 73.21 H new ATOM 0 HE2 LYS A 104 14.353 -3.247 -6.165 1.00 53.03 H new ATOM 0 HE3 LYS A 104 13.047 -2.346 -6.910 1.00 53.03 H new ATOM 0 HZ1 LYS A 104 13.157 -4.671 -7.652 1.00 3.24 H new ATOM 0 HZ2 LYS A 104 13.338 -3.584 -8.944 1.00 3.24 H new ATOM 0 HZ3 LYS A 104 14.694 -4.391 -8.318 1.00 3.24 H new ATOM 1676 N ILE A 105 14.238 0.548 -3.428 1.00 31.13 N ATOM 1677 CA ILE A 105 13.068 1.382 -3.119 1.00 70.12 C ATOM 1678 C ILE A 105 13.442 2.551 -2.219 1.00 12.01 C ATOM 1679 O ILE A 105 12.791 3.598 -2.242 1.00 53.05 O ATOM 1680 CB ILE A 105 11.911 0.579 -2.482 1.00 33.01 C ATOM 1681 CG1 ILE A 105 12.440 -0.489 -1.515 1.00 51.21 C ATOM 1682 CG2 ILE A 105 11.057 -0.047 -3.570 1.00 61.31 C ATOM 1683 CD1 ILE A 105 11.352 -1.319 -0.869 1.00 73.32 C ATOM 0 H ILE A 105 14.252 -0.360 -2.964 1.00 31.13 H new ATOM 0 HA ILE A 105 12.714 1.767 -4.076 1.00 70.12 H new ATOM 0 HB ILE A 105 11.293 1.264 -1.902 1.00 33.01 H new ATOM 0 HG12 ILE A 105 13.117 -1.151 -2.054 1.00 51.21 H new ATOM 0 HG13 ILE A 105 13.025 -0.002 -0.735 1.00 51.21 H new ATOM 0 HG21 ILE A 105 10.243 -0.611 -3.114 1.00 61.31 H new ATOM 0 HG22 ILE A 105 10.644 0.737 -4.204 1.00 61.31 H new ATOM 0 HG23 ILE A 105 11.670 -0.717 -4.173 1.00 61.31 H new ATOM 0 HD11 ILE A 105 11.802 -2.052 -0.199 1.00 73.32 H new ATOM 0 HD12 ILE A 105 10.687 -0.669 -0.301 1.00 73.32 H new ATOM 0 HD13 ILE A 105 10.782 -1.835 -1.641 1.00 73.32 H new ATOM 1695 N GLY A 106 14.504 2.376 -1.451 1.00 55.40 N ATOM 1696 CA GLY A 106 14.959 3.424 -0.561 1.00 2.13 C ATOM 1697 C GLY A 106 13.959 3.723 0.534 1.00 4.32 C ATOM 1698 O GLY A 106 13.752 2.911 1.439 1.00 21.50 O ATOM 0 H GLY A 106 15.063 1.523 -1.427 1.00 55.40 H new ATOM 0 HA2 GLY A 106 15.908 3.130 -0.113 1.00 2.13 H new ATOM 0 HA3 GLY A 106 15.146 4.331 -1.137 1.00 2.13 H new ATOM 1702 N GLU A 107 13.323 4.881 0.446 1.00 54.32 N ATOM 1703 CA GLU A 107 12.353 5.291 1.445 1.00 12.53 C ATOM 1704 C GLU A 107 10.975 4.747 1.089 1.00 64.35 C ATOM 1705 O GLU A 107 10.175 5.420 0.437 1.00 0.21 O ATOM 1706 CB GLU A 107 12.321 6.816 1.556 1.00 74.22 C ATOM 1707 CG GLU A 107 13.696 7.427 1.772 1.00 1.25 C ATOM 1708 CD GLU A 107 13.666 8.938 1.810 1.00 44.01 C ATOM 1709 OE1 GLU A 107 13.448 9.559 0.750 1.00 73.33 O ATOM 1710 OE2 GLU A 107 13.868 9.516 2.900 1.00 23.33 O ATOM 0 H GLU A 107 13.463 5.553 -0.309 1.00 54.32 H new ATOM 0 HA GLU A 107 12.646 4.884 2.413 1.00 12.53 H new ATOM 0 HB2 GLU A 107 11.884 7.231 0.648 1.00 74.22 H new ATOM 0 HB3 GLU A 107 11.670 7.101 2.382 1.00 74.22 H new ATOM 0 HG2 GLU A 107 14.112 7.053 2.707 1.00 1.25 H new ATOM 0 HG3 GLU A 107 14.363 7.101 0.974 1.00 1.25 H new ATOM 1717 N ASP A 108 10.719 3.509 1.487 1.00 14.21 N ATOM 1718 CA ASP A 108 9.443 2.867 1.211 1.00 43.04 C ATOM 1719 C ASP A 108 8.929 2.135 2.442 1.00 14.22 C ATOM 1720 O ASP A 108 9.712 1.780 3.325 1.00 53.14 O ATOM 1721 CB ASP A 108 9.566 1.890 0.037 1.00 11.31 C ATOM 1722 CG ASP A 108 8.271 1.143 -0.224 1.00 31.45 C ATOM 1723 OD1 ASP A 108 7.258 1.796 -0.535 1.00 54.12 O ATOM 1724 OD2 ASP A 108 8.249 -0.097 -0.084 1.00 44.11 O ATOM 0 H ASP A 108 11.380 2.928 2.003 1.00 14.21 H new ATOM 0 HA ASP A 108 8.730 3.647 0.943 1.00 43.04 H new ATOM 0 HB2 ASP A 108 9.855 2.437 -0.860 1.00 11.31 H new ATOM 0 HB3 ASP A 108 10.361 1.174 0.244 1.00 11.31 H new ATOM 1729 N HIS A 109 7.613 1.921 2.466 1.00 3.21 N ATOM 1730 CA HIS A 109 6.895 1.264 3.565 1.00 42.51 C ATOM 1731 C HIS A 109 7.419 1.660 4.948 1.00 35.21 C ATOM 1732 O HIS A 109 8.217 0.954 5.565 1.00 41.03 O ATOM 1733 CB HIS A 109 6.812 -0.273 3.390 1.00 73.43 C ATOM 1734 CG HIS A 109 8.101 -1.021 3.170 1.00 42.51 C ATOM 1735 ND1 HIS A 109 9.201 -0.924 3.985 1.00 21.24 N ATOM 1736 CD2 HIS A 109 8.429 -1.923 2.218 1.00 44.20 C ATOM 1737 CE1 HIS A 109 10.141 -1.739 3.551 1.00 41.41 C ATOM 1738 NE2 HIS A 109 9.698 -2.358 2.477 1.00 71.41 N ATOM 0 H HIS A 109 6.999 2.206 1.703 1.00 3.21 H new ATOM 0 HA HIS A 109 5.873 1.640 3.510 1.00 42.51 H new ATOM 0 HB2 HIS A 109 6.331 -0.686 4.276 1.00 73.43 H new ATOM 0 HB3 HIS A 109 6.155 -0.480 2.545 1.00 73.43 H new ATOM 0 HD1 HIS A 109 9.279 -0.316 4.800 1.00 21.24 H new ATOM 0 HD2 HIS A 109 7.801 -2.242 1.400 1.00 44.20 H new ATOM 0 HE1 HIS A 109 11.113 -1.876 4.001 1.00 41.41 H new ATOM 1747 N ILE A 110 6.943 2.802 5.422 1.00 14.41 N ATOM 1748 CA ILE A 110 7.334 3.333 6.724 1.00 63.42 C ATOM 1749 C ILE A 110 6.088 3.637 7.554 1.00 21.12 C ATOM 1750 O ILE A 110 5.021 3.077 7.305 1.00 32.13 O ATOM 1751 CB ILE A 110 8.195 4.625 6.610 1.00 11.44 C ATOM 1752 CG1 ILE A 110 7.399 5.796 5.995 1.00 35.42 C ATOM 1753 CG2 ILE A 110 9.465 4.355 5.811 1.00 71.13 C ATOM 1754 CD1 ILE A 110 7.221 5.730 4.490 1.00 23.42 C ATOM 0 H ILE A 110 6.276 3.387 4.918 1.00 14.41 H new ATOM 0 HA ILE A 110 7.943 2.570 7.208 1.00 63.42 H new ATOM 0 HB ILE A 110 8.476 4.921 7.621 1.00 11.44 H new ATOM 0 HG12 ILE A 110 6.414 5.830 6.461 1.00 35.42 H new ATOM 0 HG13 ILE A 110 7.903 6.729 6.246 1.00 35.42 H new ATOM 0 HG21 ILE A 110 10.053 5.270 5.742 1.00 71.13 H new ATOM 0 HG22 ILE A 110 10.051 3.583 6.310 1.00 71.13 H new ATOM 0 HG23 ILE A 110 9.200 4.018 4.809 1.00 71.13 H new ATOM 0 HD11 ILE A 110 6.650 6.595 4.153 1.00 23.42 H new ATOM 0 HD12 ILE A 110 8.198 5.730 4.008 1.00 23.42 H new ATOM 0 HD13 ILE A 110 6.687 4.817 4.227 1.00 23.42 H new ATOM 1766 N PHE A 111 6.222 4.516 8.535 1.00 1.43 N ATOM 1767 CA PHE A 111 5.091 4.904 9.360 1.00 41.31 C ATOM 1768 C PHE A 111 4.425 6.159 8.824 1.00 61.13 C ATOM 1769 O PHE A 111 4.886 6.739 7.844 1.00 23.32 O ATOM 1770 CB PHE A 111 5.530 5.109 10.806 1.00 22.23 C ATOM 1771 CG PHE A 111 5.934 3.834 11.467 1.00 72.54 C ATOM 1772 CD1 PHE A 111 5.033 2.791 11.566 1.00 55.12 C ATOM 1773 CD2 PHE A 111 7.207 3.668 11.985 1.00 64.44 C ATOM 1774 CE1 PHE A 111 5.387 1.607 12.166 1.00 22.34 C ATOM 1775 CE2 PHE A 111 7.569 2.483 12.590 1.00 5.44 C ATOM 1776 CZ PHE A 111 6.658 1.450 12.682 1.00 2.31 C ATOM 0 H PHE A 111 7.101 4.973 8.778 1.00 1.43 H new ATOM 0 HA PHE A 111 4.360 4.096 9.328 1.00 41.31 H new ATOM 0 HB2 PHE A 111 6.365 5.809 10.833 1.00 22.23 H new ATOM 0 HB3 PHE A 111 4.715 5.564 11.369 1.00 22.23 H new ATOM 0 HD1 PHE A 111 4.037 2.908 11.166 1.00 55.12 H new ATOM 0 HD2 PHE A 111 7.923 4.474 11.915 1.00 64.44 H new ATOM 0 HE1 PHE A 111 4.672 0.800 12.234 1.00 22.34 H new ATOM 0 HE2 PHE A 111 8.564 2.363 12.992 1.00 5.44 H new ATOM 0 HZ PHE A 111 6.939 0.521 13.156 1.00 2.31 H new ATOM 1786 N MET A 112 3.324 6.539 9.463 1.00 55.41 N ATOM 1787 CA MET A 112 2.554 7.728 9.086 1.00 31.34 C ATOM 1788 C MET A 112 3.439 8.924 8.733 1.00 13.34 C ATOM 1789 O MET A 112 4.184 9.432 9.573 1.00 41.22 O ATOM 1790 CB MET A 112 1.593 8.115 10.213 1.00 21.55 C ATOM 1791 CG MET A 112 0.880 9.439 9.974 1.00 75.53 C ATOM 1792 SD MET A 112 -0.868 9.373 10.400 1.00 23.21 S ATOM 1793 CE MET A 112 -1.421 8.113 9.260 1.00 30.42 C ATOM 0 H MET A 112 2.936 6.033 10.259 1.00 55.41 H new ATOM 0 HA MET A 112 1.994 7.465 8.189 1.00 31.34 H new ATOM 0 HB2 MET A 112 0.849 7.327 10.332 1.00 21.55 H new ATOM 0 HB3 MET A 112 2.148 8.174 11.149 1.00 21.55 H new ATOM 0 HG2 MET A 112 1.364 10.219 10.562 1.00 75.53 H new ATOM 0 HG3 MET A 112 0.984 9.719 8.926 1.00 75.53 H new ATOM 0 HE1 MET A 112 -2.509 8.131 9.197 1.00 30.42 H new ATOM 0 HE2 MET A 112 -0.997 8.303 8.274 1.00 30.42 H new ATOM 0 HE3 MET A 112 -1.094 7.135 9.613 1.00 30.42 H new ATOM 1803 N THR A 113 3.344 9.360 7.479 1.00 51.33 N ATOM 1804 CA THR A 113 4.086 10.525 7.005 1.00 73.53 C ATOM 1805 C THR A 113 3.552 11.001 5.645 1.00 54.41 C ATOM 1806 O THR A 113 3.535 12.198 5.368 1.00 71.42 O ATOM 1807 CB THR A 113 5.607 10.236 6.905 1.00 61.24 C ATOM 1808 OG1 THR A 113 6.318 11.424 6.541 1.00 63.12 O ATOM 1809 CG2 THR A 113 5.900 9.143 5.885 1.00 33.32 C ATOM 0 H THR A 113 2.757 8.921 6.770 1.00 51.33 H new ATOM 0 HA THR A 113 3.939 11.317 7.739 1.00 73.53 H new ATOM 0 HB THR A 113 5.939 9.895 7.886 1.00 61.24 H new ATOM 0 HG1 THR A 113 7.276 11.227 6.483 1.00 63.12 H new ATOM 0 HG21 THR A 113 6.975 8.966 5.840 1.00 33.32 H new ATOM 0 HG22 THR A 113 5.393 8.225 6.180 1.00 33.32 H new ATOM 0 HG23 THR A 113 5.543 9.456 4.904 1.00 33.32 H new ATOM 1817 N LEU A 114 3.081 10.057 4.820 1.00 54.24 N ATOM 1818 CA LEU A 114 2.602 10.358 3.462 1.00 1.23 C ATOM 1819 C LEU A 114 1.623 11.544 3.402 1.00 71.02 C ATOM 1820 O LEU A 114 1.826 12.441 2.588 1.00 43.31 O ATOM 1821 CB LEU A 114 1.960 9.113 2.827 1.00 63.42 C ATOM 1822 CG LEU A 114 2.798 8.398 1.763 1.00 54.45 C ATOM 1823 CD1 LEU A 114 2.923 9.255 0.510 1.00 2.24 C ATOM 1824 CD2 LEU A 114 4.173 8.043 2.307 1.00 24.13 C ATOM 0 H LEU A 114 3.021 9.070 5.071 1.00 54.24 H new ATOM 0 HA LEU A 114 3.483 10.653 2.892 1.00 1.23 H new ATOM 0 HB2 LEU A 114 1.731 8.401 3.620 1.00 63.42 H new ATOM 0 HB3 LEU A 114 1.011 9.406 2.378 1.00 63.42 H new ATOM 0 HG LEU A 114 2.288 7.473 1.496 1.00 54.45 H new ATOM 0 HD11 LEU A 114 3.522 8.728 -0.233 1.00 2.24 H new ATOM 0 HD12 LEU A 114 1.931 9.452 0.103 1.00 2.24 H new ATOM 0 HD13 LEU A 114 3.405 10.199 0.762 1.00 2.24 H new ATOM 0 HD21 LEU A 114 4.750 7.536 1.534 1.00 24.13 H new ATOM 0 HD22 LEU A 114 4.691 8.953 2.609 1.00 24.13 H new ATOM 0 HD23 LEU A 114 4.064 7.385 3.169 1.00 24.13 H new ATOM 1836 N PRO A 115 0.555 11.573 4.239 1.00 75.11 N ATOM 1837 CA PRO A 115 -0.440 12.661 4.229 1.00 74.45 C ATOM 1838 C PRO A 115 0.183 14.063 4.209 1.00 53.14 C ATOM 1839 O PRO A 115 -0.237 14.926 3.439 1.00 31.03 O ATOM 1840 CB PRO A 115 -1.243 12.459 5.530 1.00 35.43 C ATOM 1841 CG PRO A 115 -0.546 11.374 6.282 1.00 32.00 C ATOM 1842 CD PRO A 115 0.204 10.557 5.238 1.00 71.22 C ATOM 0 HA PRO A 115 -1.045 12.613 3.324 1.00 74.45 H new ATOM 0 HB2 PRO A 115 -1.276 13.379 6.114 1.00 35.43 H new ATOM 0 HB3 PRO A 115 -2.274 12.182 5.312 1.00 35.43 H new ATOM 0 HG2 PRO A 115 0.140 11.789 7.020 1.00 32.00 H new ATOM 0 HG3 PRO A 115 -1.260 10.754 6.824 1.00 32.00 H new ATOM 0 HD2 PRO A 115 1.088 10.076 5.656 1.00 71.22 H new ATOM 0 HD3 PRO A 115 -0.418 9.768 4.815 1.00 71.22 H new ATOM 1850 N THR A 116 1.186 14.285 5.049 1.00 1.12 N ATOM 1851 CA THR A 116 1.836 15.586 5.124 1.00 4.11 C ATOM 1852 C THR A 116 2.982 15.677 4.114 1.00 52.40 C ATOM 1853 O THR A 116 3.270 16.752 3.583 1.00 53.21 O ATOM 1854 CB THR A 116 2.348 15.879 6.557 1.00 64.11 C ATOM 1855 OG1 THR A 116 3.022 17.145 6.609 1.00 31.54 O ATOM 1856 CG2 THR A 116 3.281 14.783 7.052 1.00 14.34 C ATOM 0 H THR A 116 1.565 13.584 5.685 1.00 1.12 H new ATOM 0 HA THR A 116 1.093 16.343 4.874 1.00 4.11 H new ATOM 0 HB THR A 116 1.476 15.910 7.210 1.00 64.11 H new ATOM 0 HG1 THR A 116 3.336 17.311 7.522 1.00 31.54 H new ATOM 0 HG21 THR A 116 3.620 15.022 8.060 1.00 14.34 H new ATOM 0 HG22 THR A 116 2.750 13.831 7.064 1.00 14.34 H new ATOM 0 HG23 THR A 116 4.142 14.710 6.387 1.00 14.34 H new ATOM 1864 N ALA A 117 3.602 14.538 3.826 1.00 13.51 N ATOM 1865 CA ALA A 117 4.715 14.482 2.888 1.00 32.05 C ATOM 1866 C ALA A 117 4.289 14.921 1.496 1.00 13.03 C ATOM 1867 O ALA A 117 4.926 15.782 0.894 1.00 24.33 O ATOM 1868 CB ALA A 117 5.303 13.081 2.839 1.00 43.32 C ATOM 0 H ALA A 117 3.350 13.637 4.232 1.00 13.51 H new ATOM 0 HA ALA A 117 5.480 15.174 3.241 1.00 32.05 H new ATOM 0 HB1 ALA A 117 6.133 13.059 2.133 1.00 43.32 H new ATOM 0 HB2 ALA A 117 5.662 12.802 3.830 1.00 43.32 H new ATOM 0 HB3 ALA A 117 4.536 12.376 2.519 1.00 43.32 H new ATOM 1874 N VAL A 118 3.202 14.343 0.992 1.00 34.02 N ATOM 1875 CA VAL A 118 2.737 14.653 -0.356 1.00 2.20 C ATOM 1876 C VAL A 118 2.467 16.147 -0.521 1.00 32.34 C ATOM 1877 O VAL A 118 2.941 16.761 -1.472 1.00 61.13 O ATOM 1878 CB VAL A 118 1.479 13.841 -0.756 1.00 71.13 C ATOM 1879 CG1 VAL A 118 1.826 12.370 -0.920 1.00 70.42 C ATOM 1880 CG2 VAL A 118 0.357 14.010 0.260 1.00 45.44 C ATOM 0 H VAL A 118 2.631 13.662 1.493 1.00 34.02 H new ATOM 0 HA VAL A 118 3.544 14.361 -1.028 1.00 2.20 H new ATOM 0 HB VAL A 118 1.125 14.230 -1.711 1.00 71.13 H new ATOM 0 HG11 VAL A 118 0.931 11.814 -1.201 1.00 70.42 H new ATOM 0 HG12 VAL A 118 2.581 12.259 -1.698 1.00 70.42 H new ATOM 0 HG13 VAL A 118 2.214 11.981 0.021 1.00 70.42 H new ATOM 0 HG21 VAL A 118 -0.509 13.426 -0.053 1.00 45.44 H new ATOM 0 HG22 VAL A 118 0.695 13.662 1.236 1.00 45.44 H new ATOM 0 HG23 VAL A 118 0.081 15.062 0.325 1.00 45.44 H new ATOM 1890 N GLN A 119 1.745 16.739 0.428 1.00 24.32 N ATOM 1891 CA GLN A 119 1.427 18.159 0.365 1.00 24.11 C ATOM 1892 C GLN A 119 2.704 18.990 0.391 1.00 22.12 C ATOM 1893 O GLN A 119 2.870 19.926 -0.396 1.00 31.00 O ATOM 1894 CB GLN A 119 0.519 18.562 1.526 1.00 44.54 C ATOM 1895 CG GLN A 119 0.030 20.000 1.432 1.00 52.01 C ATOM 1896 CD GLN A 119 -0.819 20.427 2.613 1.00 0.15 C ATOM 1897 OE1 GLN A 119 -1.721 21.250 2.479 1.00 54.15 O ATOM 1898 NE2 GLN A 119 -0.523 19.893 3.787 1.00 65.31 N ATOM 0 H GLN A 119 1.371 16.257 1.246 1.00 24.32 H new ATOM 0 HA GLN A 119 0.900 18.348 -0.570 1.00 24.11 H new ATOM 0 HB2 GLN A 119 -0.341 17.893 1.555 1.00 44.54 H new ATOM 0 HB3 GLN A 119 1.058 18.429 2.464 1.00 44.54 H new ATOM 0 HG2 GLN A 119 0.891 20.664 1.354 1.00 52.01 H new ATOM 0 HG3 GLN A 119 -0.549 20.120 0.516 1.00 52.01 H new ATOM 0 HE21 GLN A 119 0.233 19.212 3.862 1.00 65.31 H new ATOM 0 HE22 GLN A 119 -1.051 20.162 4.617 1.00 65.31 H new ATOM 1907 N ALA A 120 3.616 18.620 1.284 1.00 11.12 N ATOM 1908 CA ALA A 120 4.889 19.314 1.415 1.00 30.24 C ATOM 1909 C ALA A 120 5.696 19.230 0.123 1.00 42.32 C ATOM 1910 O ALA A 120 6.300 20.208 -0.299 1.00 44.22 O ATOM 1911 CB ALA A 120 5.686 18.743 2.578 1.00 34.12 C ATOM 0 H ALA A 120 3.495 17.840 1.930 1.00 11.12 H new ATOM 0 HA ALA A 120 4.682 20.365 1.615 1.00 30.24 H new ATOM 0 HB1 ALA A 120 6.635 19.272 2.663 1.00 34.12 H new ATOM 0 HB2 ALA A 120 5.119 18.863 3.501 1.00 34.12 H new ATOM 0 HB3 ALA A 120 5.875 17.684 2.404 1.00 34.12 H new ATOM 1917 N PHE A 121 5.681 18.071 -0.520 1.00 73.20 N ATOM 1918 CA PHE A 121 6.459 17.876 -1.739 1.00 62.30 C ATOM 1919 C PHE A 121 5.741 18.430 -2.972 1.00 31.11 C ATOM 1920 O PHE A 121 6.335 18.531 -4.043 1.00 51.25 O ATOM 1921 CB PHE A 121 6.793 16.397 -1.945 1.00 33.34 C ATOM 1922 CG PHE A 121 7.752 15.854 -0.925 1.00 2.32 C ATOM 1923 CD1 PHE A 121 8.922 16.534 -0.628 1.00 21.34 C ATOM 1924 CD2 PHE A 121 7.490 14.660 -0.270 1.00 64.34 C ATOM 1925 CE1 PHE A 121 9.809 16.038 0.306 1.00 43.21 C ATOM 1926 CE2 PHE A 121 8.373 14.160 0.665 1.00 1.22 C ATOM 1927 CZ PHE A 121 9.535 14.849 0.953 1.00 5.22 C ATOM 0 H PHE A 121 5.144 17.256 -0.223 1.00 73.20 H new ATOM 0 HA PHE A 121 7.387 18.434 -1.615 1.00 62.30 H new ATOM 0 HB2 PHE A 121 5.871 15.816 -1.912 1.00 33.34 H new ATOM 0 HB3 PHE A 121 7.218 16.263 -2.940 1.00 33.34 H new ATOM 0 HD1 PHE A 121 9.143 17.463 -1.133 1.00 21.34 H new ATOM 0 HD2 PHE A 121 6.585 14.115 -0.494 1.00 64.34 H new ATOM 0 HE1 PHE A 121 10.716 16.579 0.531 1.00 43.21 H new ATOM 0 HE2 PHE A 121 8.156 13.231 1.171 1.00 1.22 H new ATOM 0 HZ PHE A 121 10.228 14.458 1.683 1.00 5.22 H new ATOM 1937 N ARG A 122 4.467 18.778 -2.837 1.00 23.14 N ATOM 1938 CA ARG A 122 3.726 19.334 -3.968 1.00 0.03 C ATOM 1939 C ARG A 122 3.807 20.853 -4.001 1.00 41.05 C ATOM 1940 O ARG A 122 3.803 21.452 -5.077 1.00 72.11 O ATOM 1941 CB ARG A 122 2.263 18.874 -3.974 1.00 2.31 C ATOM 1942 CG ARG A 122 2.073 17.379 -4.233 1.00 0.01 C ATOM 1943 CD ARG A 122 2.726 16.914 -5.533 1.00 63.55 C ATOM 1944 NE ARG A 122 4.186 16.988 -5.475 1.00 31.50 N ATOM 1945 CZ ARG A 122 5.015 16.262 -6.218 1.00 33.14 C ATOM 1946 NH1 ARG A 122 4.550 15.350 -7.064 1.00 52.11 N ATOM 1947 NH2 ARG A 122 6.323 16.446 -6.093 1.00 21.34 N ATOM 0 H ARG A 122 3.931 18.689 -1.974 1.00 23.14 H new ATOM 0 HA ARG A 122 4.201 18.950 -4.871 1.00 0.03 H new ATOM 0 HB2 ARG A 122 1.812 19.124 -3.014 1.00 2.31 H new ATOM 0 HB3 ARG A 122 1.722 19.434 -4.736 1.00 2.31 H new ATOM 0 HG2 ARG A 122 2.492 16.815 -3.400 1.00 0.01 H new ATOM 0 HG3 ARG A 122 1.007 17.154 -4.267 1.00 0.01 H new ATOM 0 HD2 ARG A 122 2.424 15.888 -5.743 1.00 63.55 H new ATOM 0 HD3 ARG A 122 2.365 17.527 -6.359 1.00 63.55 H new ATOM 0 HE ARG A 122 4.599 17.647 -4.814 1.00 31.50 H new ATOM 0 HH11 ARG A 122 3.545 15.199 -7.150 1.00 52.11 H new ATOM 0 HH12 ARG A 122 5.198 14.800 -7.628 1.00 52.11 H new ATOM 0 HH21 ARG A 122 6.680 17.137 -5.433 1.00 21.34 H new ATOM 0 HH22 ARG A 122 6.972 15.896 -6.657 1.00 21.34 H new ATOM 1961 N ARG A 123 3.890 21.481 -2.837 1.00 25.22 N ATOM 1962 CA ARG A 123 4.021 22.929 -2.792 1.00 34.55 C ATOM 1963 C ARG A 123 5.471 23.333 -2.512 1.00 33.34 C ATOM 1964 O ARG A 123 5.880 24.451 -2.822 1.00 34.14 O ATOM 1965 CB ARG A 123 3.056 23.547 -1.758 1.00 44.43 C ATOM 1966 CG ARG A 123 3.716 24.041 -0.477 1.00 22.40 C ATOM 1967 CD ARG A 123 4.031 22.911 0.492 1.00 73.42 C ATOM 1968 NE ARG A 123 4.989 23.336 1.510 1.00 0.53 N ATOM 1969 CZ ARG A 123 4.660 23.724 2.741 1.00 11.11 C ATOM 1970 NH1 ARG A 123 3.387 23.760 3.119 1.00 1.53 N ATOM 1971 NH2 ARG A 123 5.610 24.091 3.590 1.00 41.30 N ATOM 0 H ARG A 123 3.870 21.021 -1.927 1.00 25.22 H new ATOM 0 HA ARG A 123 3.745 23.323 -3.770 1.00 34.55 H new ATOM 0 HB2 ARG A 123 2.533 24.382 -2.225 1.00 44.43 H new ATOM 0 HB3 ARG A 123 2.302 22.804 -1.497 1.00 44.43 H new ATOM 0 HG2 ARG A 123 4.637 24.568 -0.727 1.00 22.40 H new ATOM 0 HG3 ARG A 123 3.059 24.761 0.011 1.00 22.40 H new ATOM 0 HD2 ARG A 123 3.112 22.574 0.972 1.00 73.42 H new ATOM 0 HD3 ARG A 123 4.434 22.060 -0.057 1.00 73.42 H new ATOM 0 HE ARG A 123 5.978 23.336 1.261 1.00 0.53 H new ATOM 0 HH11 ARG A 123 2.653 23.489 2.465 1.00 1.53 H new ATOM 0 HH12 ARG A 123 3.144 24.058 4.064 1.00 1.53 H new ATOM 0 HH21 ARG A 123 6.588 24.075 3.299 1.00 41.30 H new ATOM 0 HH22 ARG A 123 5.363 24.389 4.534 1.00 41.30 H new ATOM 1985 N ARG A 124 6.238 22.396 -1.951 1.00 24.43 N ATOM 1986 CA ARG A 124 7.632 22.629 -1.565 1.00 2.13 C ATOM 1987 C ARG A 124 7.735 23.797 -0.587 1.00 62.11 C ATOM 1988 O ARG A 124 8.065 24.917 -1.026 1.00 33.02 O ATOM 1989 CB ARG A 124 8.521 22.874 -2.790 1.00 31.11 C ATOM 1990 CG ARG A 124 8.597 21.694 -3.750 1.00 51.50 C ATOM 1991 CD ARG A 124 9.126 20.433 -3.075 1.00 71.33 C ATOM 1992 NE ARG A 124 10.475 20.608 -2.528 1.00 2.43 N ATOM 1993 CZ ARG A 124 11.367 19.621 -2.410 1.00 53.22 C ATOM 1994 NH1 ARG A 124 11.074 18.403 -2.850 1.00 53.44 N ATOM 1995 NH2 ARG A 124 12.553 19.860 -1.858 1.00 33.02 N ATOM 0 H ARG A 124 5.909 21.451 -1.751 1.00 24.43 H new ATOM 0 HA ARG A 124 7.990 21.727 -1.068 1.00 2.13 H new ATOM 0 HB2 ARG A 124 8.146 23.744 -3.329 1.00 31.11 H new ATOM 0 HB3 ARG A 124 9.528 23.119 -2.452 1.00 31.11 H new ATOM 0 HG2 ARG A 124 7.606 21.496 -4.159 1.00 51.50 H new ATOM 0 HG3 ARG A 124 9.242 21.952 -4.590 1.00 51.50 H new ATOM 0 HD2 ARG A 124 8.448 20.143 -2.272 1.00 71.33 H new ATOM 0 HD3 ARG A 124 9.134 19.616 -3.796 1.00 71.33 H new ATOM 0 HE ARG A 124 10.749 21.541 -2.219 1.00 2.43 H new ATOM 0 HH11 ARG A 124 10.167 18.220 -3.279 1.00 53.44 H new ATOM 0 HH12 ARG A 124 11.756 17.650 -2.759 1.00 53.44 H new ATOM 0 HH21 ARG A 124 12.781 20.797 -1.525 1.00 33.02 H new ATOM 0 HH22 ARG A 124 13.235 19.107 -1.768 1.00 33.02 H new