USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=21 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 -140:sc= -2.56 (180deg=-3.81!) USER MOD Set 1.2: A 112 MET CE :methyl 146:sc= -1.81 (180deg=-4.36!) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.392 USER MOD Set 2.2: A 43 GLN : amide:sc= -0.291 K(o=0.1,f=-1.2) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -3.26! C(o=-4.6!,f=-3.3!) USER MOD Single : A 11 LYS NZ :NH3+ -173:sc=-0.00271 (180deg=-0.0679) USER MOD Single : A 19 TYR OH : rot 26:sc= 1.25 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 CYS SG : rot 44:sc= -0.028 USER MOD Single : A 29 ASN : amide:sc= 0.552 K(o=0.55,f=-5.3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -1.13! C(o=-1.1!,f=-6.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.606 K(o=0.61,f=-1.5) USER MOD Single : A 64 THR OG1 : rot 123:sc= 0.0103 USER MOD Single : A 71 GLN :FLIP amide:sc= -2.64! C(o=-5.4!,f=-2.6!) USER MOD Single : A 74 THR OG1 : rot 55:sc= 1.25 USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= -0.0772 (180deg=-0.333) USER MOD Single : A 90 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.022) USER MOD Single : A 95 SER OG : rot 90:sc= 1.19 USER MOD Single : A 100 SER OG : rot -1:sc= 1.24 USER MOD Single : A 104 LYS NZ :NH3+ -139:sc= -1.61! (180deg=-5.05!) USER MOD Single : A 109 HIS :FLIP no HD1:sc= -1.36 F(o=-4!,f=-1.4) USER MOD Single : A 113 THR OG1 : rot -28:sc= 0.0388 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.0139 F(o=-1.1,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -15.248 -4.434 5.136 1.00 20.24 N ATOM 51 CA ILE A 4 -14.079 -3.561 4.957 1.00 52.15 C ATOM 52 C ILE A 4 -14.326 -2.168 5.535 1.00 11.43 C ATOM 53 O ILE A 4 -15.002 -2.028 6.557 1.00 51.54 O ATOM 54 CB ILE A 4 -13.612 -3.480 3.476 1.00 3.10 C ATOM 55 CG1 ILE A 4 -14.686 -2.894 2.553 1.00 72.03 C ATOM 56 CG2 ILE A 4 -13.205 -4.860 2.984 1.00 72.23 C ATOM 57 CD1 ILE A 4 -14.218 -2.721 1.125 1.00 25.21 C ATOM 0 HA ILE A 4 -13.265 -4.019 5.518 1.00 52.15 H new ATOM 0 HB ILE A 4 -12.756 -2.806 3.445 1.00 3.10 H new ATOM 0 HG12 ILE A 4 -15.560 -3.545 2.565 1.00 72.03 H new ATOM 0 HG13 ILE A 4 -15.003 -1.927 2.944 1.00 72.03 H new ATOM 0 HG21 ILE A 4 -12.879 -4.795 1.946 1.00 72.23 H new ATOM 0 HG22 ILE A 4 -12.388 -5.239 3.598 1.00 72.23 H new ATOM 0 HG23 ILE A 4 -14.056 -5.537 3.055 1.00 72.23 H new ATOM 0 HD11 ILE A 4 -15.026 -2.302 0.525 1.00 25.21 H new ATOM 0 HD12 ILE A 4 -13.362 -2.047 1.102 1.00 25.21 H new ATOM 0 HD13 ILE A 4 -13.928 -3.689 0.717 1.00 25.21 H new ATOM 69 N ASP A 5 -13.749 -1.144 4.927 1.00 52.22 N ATOM 70 CA ASP A 5 -13.993 0.218 5.369 1.00 72.01 C ATOM 71 C ASP A 5 -14.971 0.905 4.418 1.00 55.11 C ATOM 72 O ASP A 5 -16.182 0.823 4.616 1.00 2.34 O ATOM 73 CB ASP A 5 -12.682 1.001 5.478 1.00 34.00 C ATOM 74 CG ASP A 5 -12.876 2.355 6.128 1.00 35.14 C ATOM 75 OD1 ASP A 5 -12.991 2.407 7.370 1.00 2.14 O ATOM 76 OD2 ASP A 5 -12.905 3.373 5.411 1.00 41.02 O ATOM 0 H ASP A 5 -13.114 -1.229 4.133 1.00 52.22 H new ATOM 0 HA ASP A 5 -14.439 0.191 6.363 1.00 72.01 H new ATOM 0 HB2 ASP A 5 -11.962 0.422 6.057 1.00 34.00 H new ATOM 0 HB3 ASP A 5 -12.257 1.135 4.483 1.00 34.00 H new ATOM 81 N ASP A 6 -14.443 1.533 3.374 1.00 51.31 N ATOM 82 CA ASP A 6 -15.254 2.180 2.344 1.00 44.20 C ATOM 83 C ASP A 6 -14.316 2.871 1.365 1.00 45.42 C ATOM 84 O ASP A 6 -13.117 2.600 1.373 1.00 60.55 O ATOM 85 CB ASP A 6 -16.225 3.203 2.961 1.00 74.44 C ATOM 86 CG ASP A 6 -17.450 3.443 2.096 1.00 33.24 C ATOM 87 OD1 ASP A 6 -17.402 4.318 1.207 1.00 21.00 O ATOM 88 OD2 ASP A 6 -18.471 2.747 2.301 1.00 55.43 O ATOM 0 H ASP A 6 -13.438 1.609 3.216 1.00 51.31 H new ATOM 0 HA ASP A 6 -15.854 1.429 1.831 1.00 44.20 H new ATOM 0 HB2 ASP A 6 -16.542 2.851 3.943 1.00 74.44 H new ATOM 0 HB3 ASP A 6 -15.703 4.147 3.114 1.00 74.44 H new ATOM 93 N TYR A 7 -14.848 3.746 0.527 1.00 43.13 N ATOM 94 CA TYR A 7 -14.022 4.536 -0.375 1.00 42.14 C ATOM 95 C TYR A 7 -14.666 5.896 -0.646 1.00 2.40 C ATOM 96 O TYR A 7 -15.267 6.127 -1.697 1.00 52.23 O ATOM 97 CB TYR A 7 -13.714 3.777 -1.683 1.00 20.33 C ATOM 98 CG TYR A 7 -14.919 3.246 -2.446 1.00 30.22 C ATOM 99 CD1 TYR A 7 -15.615 2.124 -2.006 1.00 73.34 C ATOM 100 CD2 TYR A 7 -15.335 3.849 -3.629 1.00 75.14 C ATOM 101 CE1 TYR A 7 -16.690 1.624 -2.718 1.00 54.34 C ATOM 102 CE2 TYR A 7 -16.413 3.359 -4.343 1.00 11.23 C ATOM 103 CZ TYR A 7 -17.084 2.246 -3.886 1.00 2.43 C ATOM 104 OH TYR A 7 -18.151 1.746 -4.604 1.00 4.24 O ATOM 0 H TYR A 7 -15.849 3.928 0.452 1.00 43.13 H new ATOM 0 HA TYR A 7 -13.065 4.712 0.117 1.00 42.14 H new ATOM 0 HB2 TYR A 7 -13.155 4.441 -2.342 1.00 20.33 H new ATOM 0 HB3 TYR A 7 -13.060 2.938 -1.447 1.00 20.33 H new ATOM 0 HD1 TYR A 7 -15.310 1.635 -1.092 1.00 73.34 H new ATOM 0 HD2 TYR A 7 -14.806 4.716 -3.996 1.00 75.14 H new ATOM 0 HE1 TYR A 7 -17.218 0.752 -2.362 1.00 54.34 H new ATOM 0 HE2 TYR A 7 -16.727 3.846 -5.254 1.00 11.23 H new ATOM 0 HH TYR A 7 -18.299 2.300 -5.399 1.00 4.24 H new ATOM 114 N PRO A 8 -14.572 6.815 0.331 1.00 53.14 N ATOM 115 CA PRO A 8 -15.137 8.161 0.222 1.00 32.14 C ATOM 116 C PRO A 8 -14.241 9.088 -0.592 1.00 63.21 C ATOM 117 O PRO A 8 -14.701 10.070 -1.177 1.00 54.11 O ATOM 118 CB PRO A 8 -15.226 8.656 1.682 1.00 11.14 C ATOM 119 CG PRO A 8 -14.728 7.535 2.541 1.00 71.34 C ATOM 120 CD PRO A 8 -13.925 6.613 1.629 1.00 2.34 C ATOM 0 HA PRO A 8 -16.100 8.151 -0.289 1.00 32.14 H new ATOM 0 HB2 PRO A 8 -14.623 9.552 1.825 1.00 11.14 H new ATOM 0 HB3 PRO A 8 -16.252 8.917 1.941 1.00 11.14 H new ATOM 0 HG2 PRO A 8 -14.107 7.915 3.352 1.00 71.34 H new ATOM 0 HG3 PRO A 8 -15.559 6.999 3.000 1.00 71.34 H new ATOM 0 HD2 PRO A 8 -12.870 6.885 1.604 1.00 2.34 H new ATOM 0 HD3 PRO A 8 -13.979 5.574 1.953 1.00 2.34 H new ATOM 128 N GLN A 9 -12.964 8.754 -0.639 1.00 42.21 N ATOM 129 CA GLN A 9 -11.986 9.567 -1.336 1.00 74.11 C ATOM 130 C GLN A 9 -11.284 8.744 -2.404 1.00 12.22 C ATOM 131 O GLN A 9 -10.773 7.660 -2.123 1.00 52.43 O ATOM 132 CB GLN A 9 -10.972 10.127 -0.335 1.00 32.41 C ATOM 133 CG GLN A 9 -9.887 10.981 -0.966 1.00 34.13 C ATOM 134 CD GLN A 9 -8.515 10.334 -0.916 1.00 33.22 C ATOM 135 OE1 GLN A 9 -8.471 9.008 -0.962 1.00 71.54 O flip ATOM 136 NE2 GLN A 9 -7.501 11.025 -0.855 1.00 44.45 N flip ATOM 0 H GLN A 9 -12.579 7.918 -0.199 1.00 42.21 H new ATOM 0 HA GLN A 9 -12.494 10.399 -1.824 1.00 74.11 H new ATOM 0 HB2 GLN A 9 -11.502 10.722 0.409 1.00 32.41 H new ATOM 0 HB3 GLN A 9 -10.504 9.297 0.195 1.00 32.41 H new ATOM 0 HG2 GLN A 9 -10.149 11.182 -2.005 1.00 34.13 H new ATOM 0 HG3 GLN A 9 -9.847 11.943 -0.455 1.00 34.13 H new ATOM 0 HE21 GLN A 9 -7.578 12.042 -0.821 1.00 44.45 H new ATOM 0 HE22 GLN A 9 -6.582 10.582 -0.838 1.00 44.45 H new ATOM 145 N ALA A 10 -11.243 9.266 -3.621 1.00 51.20 N ATOM 146 CA ALA A 10 -10.609 8.578 -4.726 1.00 72.13 C ATOM 147 C ALA A 10 -10.078 9.590 -5.724 1.00 25.11 C ATOM 148 O ALA A 10 -10.813 10.084 -6.579 1.00 5.23 O ATOM 149 CB ALA A 10 -11.579 7.619 -5.398 1.00 35.31 C ATOM 0 H ALA A 10 -11.646 10.171 -3.865 1.00 51.20 H new ATOM 0 HA ALA A 10 -9.776 7.991 -4.340 1.00 72.13 H new ATOM 0 HB1 ALA A 10 -11.078 7.115 -6.225 1.00 35.31 H new ATOM 0 HB2 ALA A 10 -11.919 6.879 -4.674 1.00 35.31 H new ATOM 0 HB3 ALA A 10 -12.436 8.175 -5.778 1.00 35.31 H new ATOM 155 N LYS A 11 -8.812 9.932 -5.578 1.00 60.52 N ATOM 156 CA LYS A 11 -8.174 10.865 -6.485 1.00 70.31 C ATOM 157 C LYS A 11 -7.714 10.143 -7.739 1.00 33.40 C ATOM 158 O LYS A 11 -7.670 8.917 -7.780 1.00 33.23 O ATOM 159 CB LYS A 11 -7.000 11.564 -5.806 1.00 54.22 C ATOM 160 CG LYS A 11 -7.407 12.475 -4.656 1.00 14.12 C ATOM 161 CD LYS A 11 -8.305 13.610 -5.128 1.00 1.20 C ATOM 162 CE LYS A 11 -8.600 14.600 -4.008 1.00 31.43 C ATOM 163 NZ LYS A 11 -9.286 13.958 -2.854 1.00 51.01 N ATOM 0 H LYS A 11 -8.205 9.577 -4.839 1.00 60.52 H new ATOM 0 HA LYS A 11 -8.902 11.626 -6.767 1.00 70.31 H new ATOM 0 HB2 LYS A 11 -6.308 10.810 -5.432 1.00 54.22 H new ATOM 0 HB3 LYS A 11 -6.460 12.152 -6.549 1.00 54.22 H new ATOM 0 HG2 LYS A 11 -7.927 11.892 -3.896 1.00 14.12 H new ATOM 0 HG3 LYS A 11 -6.515 12.888 -4.186 1.00 14.12 H new ATOM 0 HD2 LYS A 11 -7.827 14.131 -5.957 1.00 1.20 H new ATOM 0 HD3 LYS A 11 -9.241 13.200 -5.507 1.00 1.20 H new ATOM 0 HE2 LYS A 11 -7.667 15.050 -3.669 1.00 31.43 H new ATOM 0 HE3 LYS A 11 -9.222 15.408 -4.394 1.00 31.43 H new ATOM 0 HZ1 LYS A 11 -9.572 14.688 -2.170 1.00 51.01 H new ATOM 0 HZ2 LYS A 11 -10.128 13.449 -3.190 1.00 51.01 H new ATOM 0 HZ3 LYS A 11 -8.638 13.288 -2.394 1.00 51.01 H new ATOM 177 N ARG A 12 -7.402 10.908 -8.764 1.00 60.42 N ATOM 178 CA ARG A 12 -6.987 10.336 -10.039 1.00 65.32 C ATOM 179 C ARG A 12 -5.513 10.624 -10.305 1.00 34.44 C ATOM 180 O ARG A 12 -4.673 9.728 -10.279 1.00 74.11 O ATOM 181 CB ARG A 12 -7.833 10.915 -11.177 1.00 24.41 C ATOM 182 CG ARG A 12 -9.280 11.165 -10.792 1.00 72.41 C ATOM 183 CD ARG A 12 -10.017 9.877 -10.465 1.00 22.41 C ATOM 184 NE ARG A 12 -11.299 10.140 -9.810 1.00 41.02 N ATOM 185 CZ ARG A 12 -12.217 9.211 -9.554 1.00 33.14 C ATOM 186 NH1 ARG A 12 -12.082 7.982 -10.038 1.00 50.32 N ATOM 187 NH2 ARG A 12 -13.302 9.527 -8.855 1.00 61.15 N ATOM 0 H ARG A 12 -7.426 11.928 -8.745 1.00 60.42 H new ATOM 0 HA ARG A 12 -7.133 9.257 -9.991 1.00 65.32 H new ATOM 0 HB2 ARG A 12 -7.387 11.852 -11.509 1.00 24.41 H new ATOM 0 HB3 ARG A 12 -7.804 10.230 -12.025 1.00 24.41 H new ATOM 0 HG2 ARG A 12 -9.315 11.831 -9.930 1.00 72.41 H new ATOM 0 HG3 ARG A 12 -9.789 11.675 -11.610 1.00 72.41 H new ATOM 0 HD2 ARG A 12 -10.185 9.311 -11.381 1.00 22.41 H new ATOM 0 HD3 ARG A 12 -9.397 9.257 -9.817 1.00 22.41 H new ATOM 0 HE ARG A 12 -11.503 11.100 -9.531 1.00 41.02 H new ATOM 0 HH11 ARG A 12 -11.271 7.745 -10.610 1.00 50.32 H new ATOM 0 HH12 ARG A 12 -12.789 7.275 -9.838 1.00 50.32 H new ATOM 0 HH21 ARG A 12 -13.430 10.480 -8.516 1.00 61.15 H new ATOM 0 HH22 ARG A 12 -14.007 8.816 -8.658 1.00 61.15 H new ATOM 201 N VAL A 13 -5.208 11.891 -10.541 1.00 1.25 N ATOM 202 CA VAL A 13 -3.862 12.297 -10.924 1.00 53.21 C ATOM 203 C VAL A 13 -3.089 12.958 -9.772 1.00 74.21 C ATOM 204 O VAL A 13 -1.948 12.584 -9.523 1.00 14.22 O ATOM 205 CB VAL A 13 -3.883 13.247 -12.145 1.00 35.35 C ATOM 206 CG1 VAL A 13 -2.474 13.675 -12.531 1.00 45.31 C ATOM 207 CG2 VAL A 13 -4.583 12.581 -13.319 1.00 13.12 C ATOM 0 H VAL A 13 -5.876 12.659 -10.474 1.00 1.25 H new ATOM 0 HA VAL A 13 -3.341 11.378 -11.192 1.00 53.21 H new ATOM 0 HB VAL A 13 -4.439 14.143 -11.870 1.00 35.35 H new ATOM 0 HG11 VAL A 13 -2.519 14.342 -13.392 1.00 45.31 H new ATOM 0 HG12 VAL A 13 -2.009 14.195 -11.693 1.00 45.31 H new ATOM 0 HG13 VAL A 13 -1.883 12.795 -12.785 1.00 45.31 H new ATOM 0 HG21 VAL A 13 -4.591 13.261 -14.171 1.00 13.12 H new ATOM 0 HG22 VAL A 13 -4.053 11.667 -13.588 1.00 13.12 H new ATOM 0 HG23 VAL A 13 -5.608 12.337 -13.040 1.00 13.12 H new ATOM 217 N PRO A 14 -3.680 13.947 -9.054 1.00 70.22 N ATOM 218 CA PRO A 14 -2.976 14.678 -7.979 1.00 1.01 C ATOM 219 C PRO A 14 -2.740 13.847 -6.712 1.00 74.25 C ATOM 220 O PRO A 14 -2.714 14.387 -5.605 1.00 4.43 O ATOM 221 CB PRO A 14 -3.904 15.864 -7.656 1.00 12.21 C ATOM 222 CG PRO A 14 -4.911 15.902 -8.753 1.00 12.35 C ATOM 223 CD PRO A 14 -5.042 14.465 -9.236 1.00 13.54 C ATOM 0 HA PRO A 14 -1.979 14.965 -8.312 1.00 1.01 H new ATOM 0 HB2 PRO A 14 -4.386 15.731 -6.687 1.00 12.21 H new ATOM 0 HB3 PRO A 14 -3.343 16.797 -7.608 1.00 12.21 H new ATOM 0 HG2 PRO A 14 -5.867 16.284 -8.395 1.00 12.35 H new ATOM 0 HG3 PRO A 14 -4.587 16.559 -9.560 1.00 12.35 H new ATOM 0 HD2 PRO A 14 -5.771 13.905 -8.651 1.00 13.54 H new ATOM 0 HD3 PRO A 14 -5.361 14.414 -10.277 1.00 13.54 H new ATOM 231 N GLY A 15 -2.561 12.545 -6.873 1.00 31.14 N ATOM 232 CA GLY A 15 -2.224 11.696 -5.746 1.00 33.31 C ATOM 233 C GLY A 15 -3.438 11.049 -5.131 1.00 44.30 C ATOM 234 O GLY A 15 -4.264 11.724 -4.518 1.00 61.32 O ATOM 0 H GLY A 15 -2.643 12.058 -7.766 1.00 31.14 H new ATOM 0 HA2 GLY A 15 -1.529 10.922 -6.073 1.00 33.31 H new ATOM 0 HA3 GLY A 15 -1.709 12.288 -4.990 1.00 33.31 H new ATOM 238 N LEU A 16 -3.545 9.738 -5.272 1.00 2.11 N ATOM 239 CA LEU A 16 -4.714 9.028 -4.783 1.00 1.24 C ATOM 240 C LEU A 16 -4.330 8.160 -3.604 1.00 15.23 C ATOM 241 O LEU A 16 -3.216 7.640 -3.534 1.00 2.31 O ATOM 242 CB LEU A 16 -5.376 8.207 -5.899 1.00 41.14 C ATOM 243 CG LEU A 16 -4.581 7.015 -6.426 1.00 73.40 C ATOM 244 CD1 LEU A 16 -5.015 5.728 -5.744 1.00 50.11 C ATOM 245 CD2 LEU A 16 -4.730 6.897 -7.935 1.00 43.35 C ATOM 0 H LEU A 16 -2.842 9.148 -5.718 1.00 2.11 H new ATOM 0 HA LEU A 16 -5.452 9.757 -4.448 1.00 1.24 H new ATOM 0 HB2 LEU A 16 -6.336 7.843 -5.532 1.00 41.14 H new ATOM 0 HB3 LEU A 16 -5.587 8.874 -6.735 1.00 41.14 H new ATOM 0 HG LEU A 16 -3.529 7.182 -6.195 1.00 73.40 H new ATOM 0 HD11 LEU A 16 -4.434 4.894 -6.137 1.00 50.11 H new ATOM 0 HD12 LEU A 16 -4.849 5.812 -4.670 1.00 50.11 H new ATOM 0 HD13 LEU A 16 -6.074 5.554 -5.935 1.00 50.11 H new ATOM 0 HD21 LEU A 16 -4.156 6.042 -8.291 1.00 43.35 H new ATOM 0 HD22 LEU A 16 -5.781 6.759 -8.187 1.00 43.35 H new ATOM 0 HD23 LEU A 16 -4.359 7.806 -8.409 1.00 43.35 H new ATOM 257 N VAL A 17 -5.256 8.010 -2.679 1.00 31.30 N ATOM 258 CA VAL A 17 -4.960 7.383 -1.410 1.00 44.42 C ATOM 259 C VAL A 17 -5.772 6.113 -1.218 1.00 73.25 C ATOM 260 O VAL A 17 -6.982 6.166 -1.003 1.00 13.45 O ATOM 261 CB VAL A 17 -5.251 8.353 -0.251 1.00 20.12 C ATOM 262 CG1 VAL A 17 -4.804 7.763 1.073 1.00 51.11 C ATOM 263 CG2 VAL A 17 -4.580 9.693 -0.509 1.00 5.23 C ATOM 0 H VAL A 17 -6.223 8.316 -2.784 1.00 31.30 H new ATOM 0 HA VAL A 17 -3.901 7.123 -1.412 1.00 44.42 H new ATOM 0 HB VAL A 17 -6.328 8.514 -0.193 1.00 20.12 H new ATOM 0 HG11 VAL A 17 -5.020 8.467 1.877 1.00 51.11 H new ATOM 0 HG12 VAL A 17 -5.338 6.830 1.254 1.00 51.11 H new ATOM 0 HG13 VAL A 17 -3.732 7.567 1.041 1.00 51.11 H new ATOM 0 HG21 VAL A 17 -4.793 10.371 0.317 1.00 5.23 H new ATOM 0 HG22 VAL A 17 -3.503 9.550 -0.593 1.00 5.23 H new ATOM 0 HG23 VAL A 17 -4.963 10.119 -1.436 1.00 5.23 H new ATOM 273 N VAL A 18 -5.102 4.977 -1.322 1.00 63.14 N ATOM 274 CA VAL A 18 -5.725 3.697 -1.037 1.00 34.40 C ATOM 275 C VAL A 18 -5.222 3.183 0.303 1.00 34.10 C ATOM 276 O VAL A 18 -4.038 2.890 0.463 1.00 63.13 O ATOM 277 CB VAL A 18 -5.432 2.652 -2.136 1.00 43.41 C ATOM 278 CG1 VAL A 18 -6.053 1.303 -1.790 1.00 70.05 C ATOM 279 CG2 VAL A 18 -5.935 3.136 -3.488 1.00 13.50 C ATOM 0 H VAL A 18 -4.123 4.916 -1.603 1.00 63.14 H new ATOM 0 HA VAL A 18 -6.804 3.848 -1.007 1.00 34.40 H new ATOM 0 HB VAL A 18 -4.351 2.524 -2.194 1.00 43.41 H new ATOM 0 HG11 VAL A 18 -5.831 0.587 -2.581 1.00 70.05 H new ATOM 0 HG12 VAL A 18 -5.640 0.943 -0.848 1.00 70.05 H new ATOM 0 HG13 VAL A 18 -7.133 1.414 -1.694 1.00 70.05 H new ATOM 0 HG21 VAL A 18 -5.718 2.385 -4.247 1.00 13.50 H new ATOM 0 HG22 VAL A 18 -7.011 3.301 -3.438 1.00 13.50 H new ATOM 0 HG23 VAL A 18 -5.436 4.070 -3.749 1.00 13.50 H new ATOM 289 N TYR A 19 -6.115 3.100 1.272 1.00 63.45 N ATOM 290 CA TYR A 19 -5.727 2.688 2.606 1.00 44.44 C ATOM 291 C TYR A 19 -6.163 1.259 2.892 1.00 31.43 C ATOM 292 O TYR A 19 -6.983 0.690 2.172 1.00 41.12 O ATOM 293 CB TYR A 19 -6.298 3.642 3.659 1.00 50.21 C ATOM 294 CG TYR A 19 -7.789 3.895 3.543 1.00 3.33 C ATOM 295 CD1 TYR A 19 -8.712 2.973 4.021 1.00 42.33 C ATOM 296 CD2 TYR A 19 -8.271 5.061 2.960 1.00 3.14 C ATOM 297 CE1 TYR A 19 -10.069 3.206 3.922 1.00 73.43 C ATOM 298 CE2 TYR A 19 -9.629 5.301 2.860 1.00 11.11 C ATOM 299 CZ TYR A 19 -10.523 4.368 3.341 1.00 45.13 C ATOM 300 OH TYR A 19 -11.875 4.605 3.243 1.00 3.22 O ATOM 0 H TYR A 19 -7.107 3.311 1.161 1.00 63.45 H new ATOM 0 HA TYR A 19 -4.639 2.726 2.659 1.00 44.44 H new ATOM 0 HB2 TYR A 19 -6.088 3.237 4.649 1.00 50.21 H new ATOM 0 HB3 TYR A 19 -5.775 4.596 3.587 1.00 50.21 H new ATOM 0 HD1 TYR A 19 -8.362 2.059 4.478 1.00 42.33 H new ATOM 0 HD2 TYR A 19 -7.573 5.792 2.579 1.00 3.14 H new ATOM 0 HE1 TYR A 19 -10.772 2.478 4.299 1.00 73.43 H new ATOM 0 HE2 TYR A 19 -9.987 6.214 2.408 1.00 11.11 H new ATOM 0 HH TYR A 19 -12.344 4.121 3.954 1.00 3.22 H new ATOM 310 N ARG A 20 -5.580 0.688 3.934 1.00 2.45 N ATOM 311 CA ARG A 20 -5.940 -0.653 4.384 1.00 15.24 C ATOM 312 C ARG A 20 -7.431 -0.773 4.676 1.00 11.21 C ATOM 313 O ARG A 20 -7.973 -0.056 5.518 1.00 14.12 O ATOM 314 CB ARG A 20 -5.158 -1.020 5.640 1.00 12.50 C ATOM 315 CG ARG A 20 -3.702 -1.347 5.385 1.00 54.52 C ATOM 316 CD ARG A 20 -3.545 -2.643 4.612 1.00 4.42 C ATOM 317 NE ARG A 20 -2.187 -3.163 4.723 1.00 43.53 N ATOM 318 CZ ARG A 20 -1.828 -4.402 4.408 1.00 70.22 C ATOM 319 NH1 ARG A 20 -2.711 -5.249 3.903 1.00 13.30 N ATOM 320 NH2 ARG A 20 -0.581 -4.799 4.597 1.00 43.13 N ATOM 0 H ARG A 20 -4.850 1.134 4.489 1.00 2.45 H new ATOM 0 HA ARG A 20 -5.690 -1.339 3.575 1.00 15.24 H new ATOM 0 HB2 ARG A 20 -5.215 -0.192 6.346 1.00 12.50 H new ATOM 0 HB3 ARG A 20 -5.635 -1.878 6.115 1.00 12.50 H new ATOM 0 HG2 ARG A 20 -3.238 -0.533 4.828 1.00 54.52 H new ATOM 0 HG3 ARG A 20 -3.174 -1.424 6.336 1.00 54.52 H new ATOM 0 HD2 ARG A 20 -4.252 -3.382 4.989 1.00 4.42 H new ATOM 0 HD3 ARG A 20 -3.788 -2.475 3.563 1.00 4.42 H new ATOM 0 HE ARG A 20 -1.463 -2.532 5.066 1.00 43.53 H new ATOM 0 HH11 ARG A 20 -3.675 -4.952 3.753 1.00 13.30 H new ATOM 0 HH12 ARG A 20 -2.427 -6.199 3.664 1.00 13.30 H new ATOM 0 HH21 ARG A 20 0.107 -4.153 4.985 1.00 43.13 H new ATOM 0 HH22 ARG A 20 -0.307 -5.751 4.355 1.00 43.13 H new ATOM 334 N TYR A 21 -8.079 -1.683 3.969 1.00 75.24 N ATOM 335 CA TYR A 21 -9.469 -2.006 4.232 1.00 4.51 C ATOM 336 C TYR A 21 -9.535 -3.122 5.265 1.00 33.45 C ATOM 337 O TYR A 21 -8.809 -4.111 5.158 1.00 54.42 O ATOM 338 CB TYR A 21 -10.170 -2.444 2.943 1.00 31.03 C ATOM 339 CG TYR A 21 -10.097 -1.424 1.829 1.00 12.03 C ATOM 340 CD1 TYR A 21 -10.979 -0.354 1.780 1.00 53.14 C ATOM 341 CD2 TYR A 21 -9.145 -1.535 0.822 1.00 42.43 C ATOM 342 CE1 TYR A 21 -10.915 0.577 0.761 1.00 13.42 C ATOM 343 CE2 TYR A 21 -9.074 -0.609 -0.200 1.00 41.32 C ATOM 344 CZ TYR A 21 -9.962 0.446 -0.225 1.00 5.32 C ATOM 345 OH TYR A 21 -9.899 1.368 -1.244 1.00 42.34 O ATOM 0 H TYR A 21 -7.661 -2.213 3.204 1.00 75.24 H new ATOM 0 HA TYR A 21 -9.977 -1.121 4.615 1.00 4.51 H new ATOM 0 HB2 TYR A 21 -9.725 -3.377 2.598 1.00 31.03 H new ATOM 0 HB3 TYR A 21 -11.217 -2.653 3.163 1.00 31.03 H new ATOM 0 HD1 TYR A 21 -11.728 -0.247 2.551 1.00 53.14 H new ATOM 0 HD2 TYR A 21 -8.448 -2.360 0.839 1.00 42.43 H new ATOM 0 HE1 TYR A 21 -11.609 1.404 0.738 1.00 13.42 H new ATOM 0 HE2 TYR A 21 -8.328 -0.710 -0.974 1.00 41.32 H new ATOM 0 HH TYR A 21 -10.209 2.238 -0.917 1.00 42.34 H new ATOM 355 N ASP A 22 -10.378 -2.948 6.272 1.00 74.10 N ATOM 356 CA ASP A 22 -10.528 -3.948 7.324 1.00 41.23 C ATOM 357 C ASP A 22 -11.151 -5.231 6.784 1.00 11.35 C ATOM 358 O ASP A 22 -12.372 -5.344 6.692 1.00 21.34 O ATOM 359 CB ASP A 22 -11.382 -3.393 8.472 1.00 12.31 C ATOM 360 CG ASP A 22 -11.811 -4.462 9.465 1.00 62.30 C ATOM 361 OD1 ASP A 22 -10.949 -4.991 10.198 1.00 14.33 O ATOM 362 OD2 ASP A 22 -13.021 -4.772 9.517 1.00 52.31 O ATOM 0 H ASP A 22 -10.969 -2.125 6.385 1.00 74.10 H new ATOM 0 HA ASP A 22 -9.533 -4.185 7.701 1.00 41.23 H new ATOM 0 HB2 ASP A 22 -10.818 -2.623 8.997 1.00 12.31 H new ATOM 0 HB3 ASP A 22 -12.269 -2.913 8.058 1.00 12.31 H new ATOM 367 N ALA A 23 -10.306 -6.170 6.374 1.00 32.24 N ATOM 368 CA ALA A 23 -10.770 -7.490 5.975 1.00 72.02 C ATOM 369 C ALA A 23 -9.632 -8.473 5.794 1.00 62.12 C ATOM 370 O ALA A 23 -8.716 -8.234 5.010 1.00 62.43 O ATOM 371 CB ALA A 23 -11.553 -7.411 4.682 1.00 3.35 C ATOM 0 H ALA A 23 -9.296 -6.040 6.310 1.00 32.24 H new ATOM 0 HA ALA A 23 -11.408 -7.848 6.783 1.00 72.02 H new ATOM 0 HB1 ALA A 23 -11.891 -8.408 4.400 1.00 3.35 H new ATOM 0 HB2 ALA A 23 -12.416 -6.760 4.819 1.00 3.35 H new ATOM 0 HB3 ALA A 23 -10.916 -7.008 3.895 1.00 3.35 H new ATOM 377 N PRO A 24 -9.690 -9.604 6.511 1.00 50.12 N ATOM 378 CA PRO A 24 -8.720 -10.695 6.370 1.00 22.13 C ATOM 379 C PRO A 24 -8.813 -11.385 5.014 1.00 54.43 C ATOM 380 O PRO A 24 -9.424 -12.447 4.885 1.00 71.11 O ATOM 381 CB PRO A 24 -9.091 -11.681 7.487 1.00 2.42 C ATOM 382 CG PRO A 24 -9.951 -10.903 8.420 1.00 72.03 C ATOM 383 CD PRO A 24 -10.692 -9.904 7.540 1.00 2.25 C ATOM 0 HA PRO A 24 -7.698 -10.323 6.440 1.00 22.13 H new ATOM 0 HB2 PRO A 24 -9.622 -12.546 7.089 1.00 2.42 H new ATOM 0 HB3 PRO A 24 -8.202 -12.058 7.992 1.00 2.42 H new ATOM 0 HG2 PRO A 24 -10.647 -11.554 8.949 1.00 72.03 H new ATOM 0 HG3 PRO A 24 -9.353 -10.394 9.176 1.00 72.03 H new ATOM 0 HD2 PRO A 24 -11.600 -10.330 7.114 1.00 2.25 H new ATOM 0 HD3 PRO A 24 -10.988 -9.013 8.094 1.00 2.25 H new ATOM 391 N LEU A 25 -8.238 -10.769 3.992 1.00 75.42 N ATOM 392 CA LEU A 25 -8.171 -11.400 2.684 1.00 53.32 C ATOM 393 C LEU A 25 -6.964 -12.327 2.632 1.00 14.23 C ATOM 394 O LEU A 25 -6.823 -13.128 1.706 1.00 72.41 O ATOM 395 CB LEU A 25 -8.172 -10.360 1.525 1.00 3.12 C ATOM 396 CG LEU A 25 -6.934 -9.448 1.309 1.00 23.40 C ATOM 397 CD1 LEU A 25 -6.499 -8.740 2.581 1.00 10.12 C ATOM 398 CD2 LEU A 25 -5.772 -10.214 0.692 1.00 70.44 C ATOM 0 H LEU A 25 -7.815 -9.842 4.042 1.00 75.42 H new ATOM 0 HA LEU A 25 -9.072 -11.996 2.537 1.00 53.32 H new ATOM 0 HB2 LEU A 25 -8.340 -10.907 0.597 1.00 3.12 H new ATOM 0 HB3 LEU A 25 -9.034 -9.709 1.672 1.00 3.12 H new ATOM 0 HG LEU A 25 -7.245 -8.677 0.604 1.00 23.40 H new ATOM 0 HD11 LEU A 25 -5.630 -8.116 2.371 1.00 10.12 H new ATOM 0 HD12 LEU A 25 -7.314 -8.115 2.947 1.00 10.12 H new ATOM 0 HD13 LEU A 25 -6.241 -9.480 3.339 1.00 10.12 H new ATOM 0 HD21 LEU A 25 -4.924 -9.542 0.556 1.00 70.44 H new ATOM 0 HD22 LEU A 25 -5.484 -11.032 1.352 1.00 70.44 H new ATOM 0 HD23 LEU A 25 -6.074 -10.617 -0.275 1.00 70.44 H new ATOM 410 N CYS A 26 -6.110 -12.206 3.657 1.00 4.05 N ATOM 411 CA CYS A 26 -4.938 -13.064 3.827 1.00 22.40 C ATOM 412 C CYS A 26 -3.923 -12.805 2.721 1.00 4.34 C ATOM 413 O CYS A 26 -2.932 -12.109 2.950 1.00 44.50 O ATOM 414 CB CYS A 26 -5.350 -14.538 3.861 1.00 1.12 C ATOM 415 SG CYS A 26 -6.677 -14.889 5.037 1.00 42.23 S ATOM 0 H CYS A 26 -6.216 -11.507 4.392 1.00 4.05 H new ATOM 0 HA CYS A 26 -4.468 -12.824 4.781 1.00 22.40 H new ATOM 0 HB2 CYS A 26 -5.670 -14.841 2.864 1.00 1.12 H new ATOM 0 HB3 CYS A 26 -4.481 -15.144 4.115 1.00 1.12 H new ATOM 0 HG CYS A 26 -7.596 -13.974 4.940 1.00 42.23 H new ATOM 421 N PHE A 27 -4.185 -13.379 1.540 1.00 20.50 N ATOM 422 CA PHE A 27 -3.439 -13.089 0.311 1.00 22.42 C ATOM 423 C PHE A 27 -3.870 -14.027 -0.815 1.00 1.20 C ATOM 424 O PHE A 27 -3.226 -14.076 -1.863 1.00 42.43 O ATOM 425 CB PHE A 27 -1.923 -13.211 0.507 1.00 35.11 C ATOM 426 CG PHE A 27 -1.421 -14.625 0.654 1.00 64.44 C ATOM 427 CD1 PHE A 27 -1.734 -15.382 1.772 1.00 75.12 C ATOM 428 CD2 PHE A 27 -0.626 -15.192 -0.332 1.00 24.24 C ATOM 429 CE1 PHE A 27 -1.265 -16.677 1.902 1.00 52.14 C ATOM 430 CE2 PHE A 27 -0.156 -16.484 -0.207 1.00 75.34 C ATOM 431 CZ PHE A 27 -0.476 -17.229 0.912 1.00 21.12 C ATOM 0 H PHE A 27 -4.929 -14.065 1.411 1.00 20.50 H new ATOM 0 HA PHE A 27 -3.668 -12.057 0.046 1.00 22.42 H new ATOM 0 HB2 PHE A 27 -1.422 -12.748 -0.343 1.00 35.11 H new ATOM 0 HB3 PHE A 27 -1.638 -12.644 1.393 1.00 35.11 H new ATOM 0 HD1 PHE A 27 -2.351 -14.956 2.550 1.00 75.12 H new ATOM 0 HD2 PHE A 27 -0.372 -14.615 -1.209 1.00 24.24 H new ATOM 0 HE1 PHE A 27 -1.516 -17.257 2.778 1.00 52.14 H new ATOM 0 HE2 PHE A 27 0.461 -16.912 -0.983 1.00 75.34 H new ATOM 0 HZ PHE A 27 -0.110 -18.240 1.012 1.00 21.12 H new ATOM 441 N ALA A 28 -4.984 -14.728 -0.608 1.00 12.31 N ATOM 442 CA ALA A 28 -5.430 -15.786 -1.517 1.00 71.12 C ATOM 443 C ALA A 28 -5.460 -15.320 -2.966 1.00 4.32 C ATOM 444 O ALA A 28 -4.786 -15.886 -3.825 1.00 14.23 O ATOM 445 CB ALA A 28 -6.805 -16.278 -1.100 1.00 32.41 C ATOM 0 H ALA A 28 -5.601 -14.580 0.191 1.00 12.31 H new ATOM 0 HA ALA A 28 -4.711 -16.603 -1.452 1.00 71.12 H new ATOM 0 HB1 ALA A 28 -7.132 -17.065 -1.780 1.00 32.41 H new ATOM 0 HB2 ALA A 28 -6.758 -16.672 -0.085 1.00 32.41 H new ATOM 0 HB3 ALA A 28 -7.514 -15.451 -1.136 1.00 32.41 H new ATOM 451 N ASN A 29 -6.229 -14.281 -3.224 1.00 33.11 N ATOM 452 CA ASN A 29 -6.352 -13.731 -4.567 1.00 13.11 C ATOM 453 C ASN A 29 -5.625 -12.400 -4.666 1.00 23.53 C ATOM 454 O ASN A 29 -5.729 -11.705 -5.672 1.00 13.10 O ATOM 455 CB ASN A 29 -7.832 -13.540 -4.931 1.00 73.22 C ATOM 456 CG ASN A 29 -8.561 -12.595 -3.984 1.00 33.11 C ATOM 457 OD1 ASN A 29 -8.241 -12.507 -2.795 1.00 41.22 O ATOM 458 ND2 ASN A 29 -9.548 -11.879 -4.499 1.00 71.24 N ATOM 0 H ASN A 29 -6.783 -13.795 -2.519 1.00 33.11 H new ATOM 0 HA ASN A 29 -5.900 -14.434 -5.267 1.00 13.11 H new ATOM 0 HB2 ASN A 29 -7.903 -13.153 -5.948 1.00 73.22 H new ATOM 0 HB3 ASN A 29 -8.330 -14.509 -4.923 1.00 73.22 H new ATOM 0 HD21 ASN A 29 -10.069 -11.231 -3.909 1.00 71.24 H new ATOM 0 HD22 ASN A 29 -9.787 -11.976 -5.486 1.00 71.24 H new ATOM 465 N ALA A 30 -4.850 -12.081 -3.631 1.00 64.25 N ATOM 466 CA ALA A 30 -4.265 -10.750 -3.470 1.00 20.12 C ATOM 467 C ALA A 30 -3.399 -10.331 -4.652 1.00 14.41 C ATOM 468 O ALA A 30 -3.317 -9.146 -4.959 1.00 62.13 O ATOM 469 CB ALA A 30 -3.455 -10.679 -2.190 1.00 2.24 C ATOM 0 H ALA A 30 -4.611 -12.733 -2.884 1.00 64.25 H new ATOM 0 HA ALA A 30 -5.100 -10.051 -3.421 1.00 20.12 H new ATOM 0 HB1 ALA A 30 -3.027 -9.682 -2.085 1.00 2.24 H new ATOM 0 HB2 ALA A 30 -4.102 -10.887 -1.338 1.00 2.24 H new ATOM 0 HB3 ALA A 30 -2.653 -11.417 -2.225 1.00 2.24 H new ATOM 475 N GLU A 31 -2.750 -11.294 -5.296 1.00 75.43 N ATOM 476 CA GLU A 31 -1.897 -11.003 -6.444 1.00 24.44 C ATOM 477 C GLU A 31 -2.714 -10.409 -7.591 1.00 53.04 C ATOM 478 O GLU A 31 -2.596 -9.219 -7.907 1.00 14.14 O ATOM 479 CB GLU A 31 -1.194 -12.272 -6.919 1.00 54.22 C ATOM 480 CG GLU A 31 -0.266 -12.047 -8.103 1.00 23.22 C ATOM 481 CD GLU A 31 0.100 -13.334 -8.808 1.00 45.35 C ATOM 482 OE1 GLU A 31 -0.208 -14.420 -8.276 1.00 53.22 O ATOM 483 OE2 GLU A 31 0.698 -13.269 -9.902 1.00 42.44 O ATOM 0 H GLU A 31 -2.797 -12.281 -5.044 1.00 75.43 H new ATOM 0 HA GLU A 31 -1.149 -10.274 -6.132 1.00 24.44 H new ATOM 0 HB2 GLU A 31 -0.620 -12.690 -6.092 1.00 54.22 H new ATOM 0 HB3 GLU A 31 -1.945 -13.013 -7.192 1.00 54.22 H new ATOM 0 HG2 GLU A 31 -0.745 -11.372 -8.812 1.00 23.22 H new ATOM 0 HG3 GLU A 31 0.643 -11.554 -7.759 1.00 23.22 H new ATOM 490 N ASP A 32 -3.546 -11.243 -8.208 1.00 22.23 N ATOM 491 CA ASP A 32 -4.353 -10.810 -9.340 1.00 41.20 C ATOM 492 C ASP A 32 -5.331 -9.721 -8.931 1.00 74.35 C ATOM 493 O ASP A 32 -5.514 -8.746 -9.652 1.00 14.15 O ATOM 494 CB ASP A 32 -5.110 -11.984 -9.959 1.00 42.42 C ATOM 495 CG ASP A 32 -5.932 -11.552 -11.156 1.00 30.31 C ATOM 496 OD1 ASP A 32 -5.333 -11.263 -12.219 1.00 11.24 O ATOM 497 OD2 ASP A 32 -7.172 -11.485 -11.037 1.00 15.10 O ATOM 0 H ASP A 32 -3.678 -12.219 -7.943 1.00 22.23 H new ATOM 0 HA ASP A 32 -3.672 -10.403 -10.087 1.00 41.20 H new ATOM 0 HB2 ASP A 32 -4.401 -12.754 -10.263 1.00 42.42 H new ATOM 0 HB3 ASP A 32 -5.764 -12.431 -9.210 1.00 42.42 H new ATOM 502 N PHE A 33 -5.936 -9.879 -7.763 1.00 61.01 N ATOM 503 CA PHE A 33 -6.872 -8.887 -7.246 1.00 72.04 C ATOM 504 C PHE A 33 -6.227 -7.500 -7.192 1.00 13.02 C ATOM 505 O PHE A 33 -6.863 -6.493 -7.518 1.00 52.32 O ATOM 506 CB PHE A 33 -7.371 -9.316 -5.859 1.00 12.51 C ATOM 507 CG PHE A 33 -7.877 -8.187 -5.012 1.00 2.43 C ATOM 508 CD1 PHE A 33 -8.977 -7.444 -5.409 1.00 41.23 C ATOM 509 CD2 PHE A 33 -7.233 -7.854 -3.827 1.00 21.25 C ATOM 510 CE1 PHE A 33 -9.430 -6.391 -4.644 1.00 1.04 C ATOM 511 CE2 PHE A 33 -7.683 -6.796 -3.062 1.00 31.41 C ATOM 512 CZ PHE A 33 -8.783 -6.064 -3.473 1.00 41.24 C ATOM 0 H PHE A 33 -5.796 -10.685 -7.154 1.00 61.01 H new ATOM 0 HA PHE A 33 -7.725 -8.825 -7.921 1.00 72.04 H new ATOM 0 HB2 PHE A 33 -8.169 -10.048 -5.983 1.00 12.51 H new ATOM 0 HB3 PHE A 33 -6.559 -9.816 -5.331 1.00 12.51 H new ATOM 0 HD1 PHE A 33 -9.485 -7.693 -6.329 1.00 41.23 H new ATOM 0 HD2 PHE A 33 -6.376 -8.425 -3.502 1.00 21.25 H new ATOM 0 HE1 PHE A 33 -10.291 -5.823 -4.962 1.00 1.04 H new ATOM 0 HE2 PHE A 33 -7.176 -6.540 -2.143 1.00 31.41 H new ATOM 0 HZ PHE A 33 -9.134 -5.236 -2.875 1.00 41.24 H new ATOM 522 N ARG A 34 -4.957 -7.450 -6.813 1.00 60.00 N ATOM 523 CA ARG A 34 -4.260 -6.181 -6.685 1.00 60.54 C ATOM 524 C ARG A 34 -4.015 -5.564 -8.056 1.00 72.35 C ATOM 525 O ARG A 34 -4.246 -4.370 -8.255 1.00 61.34 O ATOM 526 CB ARG A 34 -2.934 -6.367 -5.949 1.00 2.04 C ATOM 527 CG ARG A 34 -2.410 -5.097 -5.302 1.00 24.12 C ATOM 528 CD ARG A 34 -3.352 -4.602 -4.214 1.00 54.31 C ATOM 529 NE ARG A 34 -3.619 -5.634 -3.211 1.00 74.10 N ATOM 530 CZ ARG A 34 -4.436 -5.473 -2.169 1.00 10.43 C ATOM 531 NH1 ARG A 34 -5.048 -4.314 -1.964 1.00 31.02 N ATOM 532 NH2 ARG A 34 -4.634 -6.474 -1.322 1.00 50.45 N ATOM 0 H ARG A 34 -4.392 -8.270 -6.590 1.00 60.00 H new ATOM 0 HA ARG A 34 -4.889 -5.506 -6.105 1.00 60.54 H new ATOM 0 HB2 ARG A 34 -3.059 -7.130 -5.181 1.00 2.04 H new ATOM 0 HB3 ARG A 34 -2.189 -6.741 -6.651 1.00 2.04 H new ATOM 0 HG2 ARG A 34 -1.424 -5.283 -4.876 1.00 24.12 H new ATOM 0 HG3 ARG A 34 -2.288 -4.323 -6.060 1.00 24.12 H new ATOM 0 HD2 ARG A 34 -2.918 -3.728 -3.729 1.00 54.31 H new ATOM 0 HD3 ARG A 34 -4.291 -4.283 -4.665 1.00 54.31 H new ATOM 0 HE ARG A 34 -3.150 -6.534 -3.316 1.00 74.10 H new ATOM 0 HH11 ARG A 34 -4.896 -3.536 -2.606 1.00 31.02 H new ATOM 0 HH12 ARG A 34 -5.671 -4.201 -1.164 1.00 31.02 H new ATOM 0 HH21 ARG A 34 -4.162 -7.366 -1.468 1.00 50.45 H new ATOM 0 HH22 ARG A 34 -5.259 -6.352 -0.525 1.00 50.45 H new ATOM 546 N ARG A 35 -3.558 -6.379 -9.004 1.00 34.01 N ATOM 547 CA ARG A 35 -3.271 -5.878 -10.344 1.00 14.43 C ATOM 548 C ARG A 35 -4.554 -5.501 -11.080 1.00 52.54 C ATOM 549 O ARG A 35 -4.601 -4.483 -11.760 1.00 34.11 O ATOM 550 CB ARG A 35 -2.443 -6.876 -11.171 1.00 55.10 C ATOM 551 CG ARG A 35 -3.066 -8.253 -11.323 1.00 30.43 C ATOM 552 CD ARG A 35 -2.231 -9.137 -12.232 1.00 3.44 C ATOM 553 NE ARG A 35 -2.600 -10.549 -12.133 1.00 65.21 N ATOM 554 CZ ARG A 35 -1.716 -11.529 -11.934 1.00 53.42 C ATOM 555 NH1 ARG A 35 -0.419 -11.247 -11.851 1.00 10.22 N ATOM 556 NH2 ARG A 35 -2.125 -12.790 -11.831 1.00 14.10 N ATOM 0 H ARG A 35 -3.381 -7.375 -8.872 1.00 34.01 H new ATOM 0 HA ARG A 35 -2.669 -4.978 -10.221 1.00 14.43 H new ATOM 0 HB2 ARG A 35 -2.280 -6.456 -12.163 1.00 55.10 H new ATOM 0 HB3 ARG A 35 -1.463 -6.986 -10.706 1.00 55.10 H new ATOM 0 HG2 ARG A 35 -3.162 -8.722 -10.344 1.00 30.43 H new ATOM 0 HG3 ARG A 35 -4.073 -8.157 -11.730 1.00 30.43 H new ATOM 0 HD2 ARG A 35 -2.348 -8.806 -13.264 1.00 3.44 H new ATOM 0 HD3 ARG A 35 -1.177 -9.021 -11.978 1.00 3.44 H new ATOM 0 HE ARG A 35 -3.585 -10.798 -12.221 1.00 65.21 H new ATOM 0 HH11 ARG A 35 -0.100 -10.282 -11.939 1.00 10.22 H new ATOM 0 HH12 ARG A 35 0.257 -11.996 -11.699 1.00 10.22 H new ATOM 0 HH21 ARG A 35 -3.118 -13.012 -11.904 1.00 14.10 H new ATOM 0 HH22 ARG A 35 -1.446 -13.536 -11.679 1.00 14.10 H new ATOM 570 N ARG A 36 -5.598 -6.302 -10.935 1.00 41.44 N ATOM 571 CA ARG A 36 -6.869 -5.986 -11.573 1.00 5.24 C ATOM 572 C ARG A 36 -7.335 -4.600 -11.145 1.00 4.43 C ATOM 573 O ARG A 36 -7.481 -3.702 -11.965 1.00 43.13 O ATOM 574 CB ARG A 36 -7.935 -7.021 -11.214 1.00 62.33 C ATOM 575 CG ARG A 36 -7.632 -8.435 -11.694 1.00 72.04 C ATOM 576 CD ARG A 36 -8.063 -8.679 -13.136 1.00 3.22 C ATOM 577 NE ARG A 36 -7.348 -7.844 -14.103 1.00 10.30 N ATOM 578 CZ ARG A 36 -6.174 -8.170 -14.652 1.00 33.13 C ATOM 579 NH1 ARG A 36 -5.524 -9.263 -14.264 1.00 33.11 N ATOM 580 NH2 ARG A 36 -5.649 -7.395 -15.593 1.00 31.50 N ATOM 0 H ARG A 36 -5.593 -7.164 -10.390 1.00 41.44 H new ATOM 0 HA ARG A 36 -6.721 -6.004 -12.653 1.00 5.24 H new ATOM 0 HB2 ARG A 36 -8.057 -7.037 -10.131 1.00 62.33 H new ATOM 0 HB3 ARG A 36 -8.888 -6.704 -11.637 1.00 62.33 H new ATOM 0 HG2 ARG A 36 -6.562 -8.622 -11.604 1.00 72.04 H new ATOM 0 HG3 ARG A 36 -8.137 -9.150 -11.044 1.00 72.04 H new ATOM 0 HD2 ARG A 36 -7.902 -9.728 -13.383 1.00 3.22 H new ATOM 0 HD3 ARG A 36 -9.133 -8.491 -13.225 1.00 3.22 H new ATOM 0 HE ARG A 36 -7.773 -6.957 -14.375 1.00 10.30 H new ATOM 0 HH11 ARG A 36 -5.921 -9.862 -13.540 1.00 33.11 H new ATOM 0 HH12 ARG A 36 -4.629 -9.502 -14.690 1.00 33.11 H new ATOM 0 HH21 ARG A 36 -6.141 -6.554 -15.895 1.00 31.50 H new ATOM 0 HH22 ARG A 36 -4.753 -7.640 -16.015 1.00 31.50 H new ATOM 594 N ALA A 37 -7.500 -4.411 -9.845 1.00 21.11 N ATOM 595 CA ALA A 37 -8.065 -3.175 -9.331 1.00 51.12 C ATOM 596 C ALA A 37 -7.128 -1.998 -9.578 1.00 30.41 C ATOM 597 O ALA A 37 -7.397 -1.141 -10.418 1.00 33.23 O ATOM 598 CB ALA A 37 -8.377 -3.309 -7.846 1.00 61.24 C ATOM 0 H ALA A 37 -7.252 -5.095 -9.130 1.00 21.11 H new ATOM 0 HA ALA A 37 -8.995 -2.981 -9.866 1.00 51.12 H new ATOM 0 HB1 ALA A 37 -8.799 -2.374 -7.477 1.00 61.24 H new ATOM 0 HB2 ALA A 37 -9.095 -4.116 -7.696 1.00 61.24 H new ATOM 0 HB3 ALA A 37 -7.460 -3.533 -7.300 1.00 61.24 H new ATOM 604 N LEU A 38 -6.004 -1.994 -8.876 1.00 54.25 N ATOM 605 CA LEU A 38 -5.085 -0.862 -8.896 1.00 63.43 C ATOM 606 C LEU A 38 -4.426 -0.709 -10.260 1.00 24.51 C ATOM 607 O LEU A 38 -4.390 0.384 -10.830 1.00 25.04 O ATOM 608 CB LEU A 38 -4.001 -1.025 -7.817 1.00 13.11 C ATOM 609 CG LEU A 38 -4.446 -0.794 -6.365 1.00 34.25 C ATOM 610 CD1 LEU A 38 -5.483 -1.819 -5.923 1.00 13.41 C ATOM 611 CD2 LEU A 38 -3.245 -0.829 -5.436 1.00 52.52 C ATOM 0 H LEU A 38 -5.704 -2.767 -8.281 1.00 54.25 H new ATOM 0 HA LEU A 38 -5.668 0.036 -8.689 1.00 63.43 H new ATOM 0 HB2 LEU A 38 -3.591 -2.032 -7.893 1.00 13.11 H new ATOM 0 HB3 LEU A 38 -3.189 -0.333 -8.040 1.00 13.11 H new ATOM 0 HG LEU A 38 -4.911 0.190 -6.314 1.00 34.25 H new ATOM 0 HD11 LEU A 38 -5.772 -1.622 -4.891 1.00 13.41 H new ATOM 0 HD12 LEU A 38 -6.361 -1.749 -6.566 1.00 13.41 H new ATOM 0 HD13 LEU A 38 -5.059 -2.820 -5.996 1.00 13.41 H new ATOM 0 HD21 LEU A 38 -3.574 -0.664 -4.410 1.00 52.52 H new ATOM 0 HD22 LEU A 38 -2.757 -1.801 -5.509 1.00 52.52 H new ATOM 0 HD23 LEU A 38 -2.541 -0.047 -5.722 1.00 52.52 H new ATOM 623 N THR A 39 -3.933 -1.812 -10.797 1.00 51.32 N ATOM 624 CA THR A 39 -3.117 -1.769 -11.992 1.00 20.31 C ATOM 625 C THR A 39 -3.935 -1.449 -13.247 1.00 34.15 C ATOM 626 O THR A 39 -3.425 -0.827 -14.183 1.00 44.25 O ATOM 627 CB THR A 39 -2.317 -3.078 -12.152 1.00 63.51 C ATOM 628 OG1 THR A 39 -1.234 -3.106 -11.209 1.00 61.41 O ATOM 629 CG2 THR A 39 -1.792 -3.245 -13.564 1.00 21.40 C ATOM 0 H THR A 39 -4.085 -2.748 -10.422 1.00 51.32 H new ATOM 0 HA THR A 39 -2.408 -0.950 -11.873 1.00 20.31 H new ATOM 0 HB THR A 39 -2.991 -3.911 -11.953 1.00 63.51 H new ATOM 0 HG1 THR A 39 -0.730 -3.940 -11.314 1.00 61.41 H new ATOM 0 HG21 THR A 39 -1.234 -4.179 -13.637 1.00 21.40 H new ATOM 0 HG22 THR A 39 -2.628 -3.267 -14.263 1.00 21.40 H new ATOM 0 HG23 THR A 39 -1.136 -2.410 -13.809 1.00 21.40 H new ATOM 637 N VAL A 40 -5.201 -1.836 -13.265 1.00 12.23 N ATOM 638 CA VAL A 40 -6.036 -1.567 -14.422 1.00 42.41 C ATOM 639 C VAL A 40 -6.603 -0.145 -14.397 1.00 23.51 C ATOM 640 O VAL A 40 -6.714 0.494 -15.447 1.00 40.25 O ATOM 641 CB VAL A 40 -7.168 -2.596 -14.513 1.00 72.03 C ATOM 642 CG1 VAL A 40 -8.245 -2.170 -15.503 1.00 53.24 C ATOM 643 CG2 VAL A 40 -6.603 -3.954 -14.899 1.00 75.42 C ATOM 0 H VAL A 40 -5.666 -2.330 -12.503 1.00 12.23 H new ATOM 0 HA VAL A 40 -5.408 -1.652 -15.309 1.00 42.41 H new ATOM 0 HB VAL A 40 -7.637 -2.663 -13.531 1.00 72.03 H new ATOM 0 HG11 VAL A 40 -9.028 -2.927 -15.537 1.00 53.24 H new ATOM 0 HG12 VAL A 40 -8.673 -1.219 -15.188 1.00 53.24 H new ATOM 0 HG13 VAL A 40 -7.805 -2.059 -16.494 1.00 53.24 H new ATOM 0 HG21 VAL A 40 -7.413 -4.681 -14.962 1.00 75.42 H new ATOM 0 HG22 VAL A 40 -6.106 -3.880 -15.866 1.00 75.42 H new ATOM 0 HG23 VAL A 40 -5.884 -4.276 -14.146 1.00 75.42 H new ATOM 653 N VAL A 41 -6.957 0.361 -13.215 1.00 23.33 N ATOM 654 CA VAL A 41 -7.503 1.712 -13.136 1.00 34.14 C ATOM 655 C VAL A 41 -6.457 2.741 -13.552 1.00 73.23 C ATOM 656 O VAL A 41 -6.746 3.627 -14.357 1.00 53.14 O ATOM 657 CB VAL A 41 -8.084 2.064 -11.742 1.00 2.33 C ATOM 658 CG1 VAL A 41 -9.271 1.173 -11.420 1.00 53.33 C ATOM 659 CG2 VAL A 41 -7.030 1.964 -10.649 1.00 35.42 C ATOM 0 H VAL A 41 -6.878 -0.129 -12.324 1.00 23.33 H new ATOM 0 HA VAL A 41 -8.339 1.741 -13.834 1.00 34.14 H new ATOM 0 HB VAL A 41 -8.421 3.100 -11.779 1.00 2.33 H new ATOM 0 HG11 VAL A 41 -9.666 1.434 -10.438 1.00 53.33 H new ATOM 0 HG12 VAL A 41 -10.047 1.314 -12.173 1.00 53.33 H new ATOM 0 HG13 VAL A 41 -8.953 0.130 -11.418 1.00 53.33 H new ATOM 0 HG21 VAL A 41 -7.477 2.218 -9.688 1.00 35.42 H new ATOM 0 HG22 VAL A 41 -6.641 0.946 -10.610 1.00 35.42 H new ATOM 0 HG23 VAL A 41 -6.216 2.656 -10.865 1.00 35.42 H new ATOM 669 N ASP A 42 -5.240 2.598 -13.029 1.00 1.31 N ATOM 670 CA ASP A 42 -4.120 3.457 -13.408 1.00 52.10 C ATOM 671 C ASP A 42 -2.896 3.043 -12.614 1.00 45.24 C ATOM 672 O ASP A 42 -2.888 3.143 -11.388 1.00 23.12 O ATOM 673 CB ASP A 42 -4.427 4.931 -13.143 1.00 11.23 C ATOM 674 CG ASP A 42 -3.916 5.830 -14.252 1.00 40.10 C ATOM 675 OD1 ASP A 42 -2.695 5.849 -14.501 1.00 63.11 O ATOM 676 OD2 ASP A 42 -4.746 6.500 -14.909 1.00 43.45 O ATOM 0 H ASP A 42 -5.004 1.888 -12.335 1.00 1.31 H new ATOM 0 HA ASP A 42 -3.941 3.341 -14.477 1.00 52.10 H new ATOM 0 HB2 ASP A 42 -5.504 5.063 -13.038 1.00 11.23 H new ATOM 0 HB3 ASP A 42 -3.975 5.230 -12.197 1.00 11.23 H new ATOM 681 N GLN A 43 -1.872 2.574 -13.309 1.00 3.44 N ATOM 682 CA GLN A 43 -0.737 1.940 -12.652 1.00 13.31 C ATOM 683 C GLN A 43 0.357 1.604 -13.650 1.00 61.15 C ATOM 684 O GLN A 43 1.396 2.258 -13.719 1.00 5.42 O ATOM 685 CB GLN A 43 -1.216 0.640 -12.012 1.00 14.50 C ATOM 686 CG GLN A 43 -1.082 0.570 -10.507 1.00 10.01 C ATOM 687 CD GLN A 43 0.323 0.211 -10.073 1.00 74.21 C ATOM 688 OE1 GLN A 43 1.171 1.079 -9.871 1.00 73.33 O ATOM 689 NE2 GLN A 43 0.580 -1.081 -9.937 1.00 3.54 N ATOM 0 H GLN A 43 -1.802 2.619 -14.326 1.00 3.44 H new ATOM 0 HA GLN A 43 -0.335 2.628 -11.909 1.00 13.31 H new ATOM 0 HB2 GLN A 43 -2.263 0.490 -12.274 1.00 14.50 H new ATOM 0 HB3 GLN A 43 -0.657 -0.188 -12.448 1.00 14.50 H new ATOM 0 HG2 GLN A 43 -1.359 1.531 -10.074 1.00 10.01 H new ATOM 0 HG3 GLN A 43 -1.781 -0.169 -10.116 1.00 10.01 H new ATOM 0 HE21 GLN A 43 -0.153 -1.768 -10.115 1.00 3.54 H new ATOM 0 HE22 GLN A 43 1.511 -1.389 -9.655 1.00 3.54 H new ATOM 698 N ASP A 44 0.091 0.566 -14.423 1.00 12.54 N ATOM 699 CA ASP A 44 1.050 0.029 -15.376 1.00 63.11 C ATOM 700 C ASP A 44 1.013 0.757 -16.730 1.00 15.21 C ATOM 701 O ASP A 44 2.068 1.094 -17.268 1.00 73.44 O ATOM 702 CB ASP A 44 0.791 -1.472 -15.563 1.00 1.44 C ATOM 703 CG ASP A 44 1.715 -2.119 -16.573 1.00 31.05 C ATOM 704 OD1 ASP A 44 1.389 -2.109 -17.776 1.00 63.22 O ATOM 705 OD2 ASP A 44 2.771 -2.657 -16.166 1.00 5.13 O ATOM 0 H ASP A 44 -0.800 0.069 -14.408 1.00 12.54 H new ATOM 0 HA ASP A 44 2.049 0.188 -14.969 1.00 63.11 H new ATOM 0 HB2 ASP A 44 0.904 -1.975 -14.603 1.00 1.44 H new ATOM 0 HB3 ASP A 44 -0.242 -1.619 -15.880 1.00 1.44 H new ATOM 710 N PRO A 45 -0.183 1.026 -17.315 1.00 23.42 N ATOM 711 CA PRO A 45 -0.277 1.637 -18.651 1.00 3.45 C ATOM 712 C PRO A 45 -0.032 3.151 -18.670 1.00 71.54 C ATOM 713 O PRO A 45 -0.502 3.844 -19.573 1.00 2.05 O ATOM 714 CB PRO A 45 -1.713 1.329 -19.080 1.00 34.44 C ATOM 715 CG PRO A 45 -2.489 1.264 -17.815 1.00 3.51 C ATOM 716 CD PRO A 45 -1.523 0.743 -16.752 1.00 72.35 C ATOM 0 HA PRO A 45 0.492 1.238 -19.312 1.00 3.45 H new ATOM 0 HB2 PRO A 45 -2.102 2.103 -19.742 1.00 34.44 H new ATOM 0 HB3 PRO A 45 -1.768 0.387 -19.625 1.00 34.44 H new ATOM 0 HG2 PRO A 45 -2.874 2.247 -17.543 1.00 3.51 H new ATOM 0 HG3 PRO A 45 -3.349 0.602 -17.919 1.00 3.51 H new ATOM 0 HD2 PRO A 45 -1.670 1.248 -15.797 1.00 72.35 H new ATOM 0 HD3 PRO A 45 -1.664 -0.323 -16.573 1.00 72.35 H new ATOM 724 N GLY A 46 0.702 3.666 -17.694 1.00 23.30 N ATOM 725 CA GLY A 46 1.014 5.083 -17.683 1.00 52.52 C ATOM 726 C GLY A 46 1.605 5.527 -16.365 1.00 64.12 C ATOM 727 O GLY A 46 1.828 4.708 -15.478 1.00 53.41 O ATOM 0 H GLY A 46 1.086 3.133 -16.914 1.00 23.30 H new ATOM 0 HA2 GLY A 46 1.716 5.305 -18.487 1.00 52.52 H new ATOM 0 HA3 GLY A 46 0.108 5.654 -17.884 1.00 52.52 H new ATOM 731 N GLN A 47 1.868 6.820 -16.244 1.00 1.32 N ATOM 732 CA GLN A 47 2.411 7.375 -15.016 1.00 34.42 C ATOM 733 C GLN A 47 1.276 7.867 -14.129 1.00 52.24 C ATOM 734 O GLN A 47 0.496 8.737 -14.523 1.00 41.51 O ATOM 735 CB GLN A 47 3.383 8.521 -15.323 1.00 43.42 C ATOM 736 CG GLN A 47 4.133 9.032 -14.103 1.00 22.13 C ATOM 737 CD GLN A 47 4.999 10.238 -14.411 1.00 33.52 C ATOM 738 OE1 GLN A 47 4.553 11.378 -14.300 1.00 74.53 O ATOM 739 NE2 GLN A 47 6.243 9.997 -14.800 1.00 32.41 N ATOM 0 H GLN A 47 1.713 7.505 -16.984 1.00 1.32 H new ATOM 0 HA GLN A 47 2.962 6.594 -14.491 1.00 34.42 H new ATOM 0 HB2 GLN A 47 4.105 8.184 -16.067 1.00 43.42 H new ATOM 0 HB3 GLN A 47 2.828 9.346 -15.769 1.00 43.42 H new ATOM 0 HG2 GLN A 47 3.416 9.294 -13.324 1.00 22.13 H new ATOM 0 HG3 GLN A 47 4.758 8.233 -13.705 1.00 22.13 H new ATOM 0 HE21 GLN A 47 6.575 9.036 -14.880 1.00 32.41 H new ATOM 0 HE22 GLN A 47 6.868 10.773 -15.020 1.00 32.41 H new ATOM 748 N VAL A 48 1.179 7.296 -12.945 1.00 65.45 N ATOM 749 CA VAL A 48 0.123 7.641 -12.008 1.00 13.23 C ATOM 750 C VAL A 48 0.718 7.999 -10.655 1.00 64.02 C ATOM 751 O VAL A 48 1.696 7.386 -10.227 1.00 33.14 O ATOM 752 CB VAL A 48 -0.869 6.465 -11.847 1.00 65.21 C ATOM 753 CG1 VAL A 48 -0.128 5.194 -11.455 1.00 13.32 C ATOM 754 CG2 VAL A 48 -1.950 6.795 -10.826 1.00 43.32 C ATOM 0 H VAL A 48 1.825 6.584 -12.605 1.00 65.45 H new ATOM 0 HA VAL A 48 -0.416 8.503 -12.403 1.00 13.23 H new ATOM 0 HB VAL A 48 -1.357 6.299 -12.808 1.00 65.21 H new ATOM 0 HG11 VAL A 48 -0.841 4.376 -11.346 1.00 13.32 H new ATOM 0 HG12 VAL A 48 0.597 4.942 -12.229 1.00 13.32 H new ATOM 0 HG13 VAL A 48 0.391 5.352 -10.509 1.00 13.32 H new ATOM 0 HG21 VAL A 48 -2.633 5.951 -10.733 1.00 43.32 H new ATOM 0 HG22 VAL A 48 -1.488 6.996 -9.859 1.00 43.32 H new ATOM 0 HG23 VAL A 48 -2.503 7.675 -11.154 1.00 43.32 H new ATOM 764 N GLU A 49 0.149 9.006 -10.003 1.00 44.51 N ATOM 765 CA GLU A 49 0.578 9.385 -8.666 1.00 10.03 C ATOM 766 C GLU A 49 -0.405 8.850 -7.638 1.00 54.20 C ATOM 767 O GLU A 49 -1.559 9.282 -7.569 1.00 11.12 O ATOM 768 CB GLU A 49 0.713 10.904 -8.539 1.00 61.10 C ATOM 769 CG GLU A 49 1.203 11.361 -7.173 1.00 63.02 C ATOM 770 CD GLU A 49 1.502 12.844 -7.126 1.00 43.34 C ATOM 771 OE1 GLU A 49 0.553 13.652 -7.177 1.00 40.13 O ATOM 772 OE2 GLU A 49 2.689 13.208 -7.052 1.00 71.40 O ATOM 0 H GLU A 49 -0.610 9.573 -10.380 1.00 44.51 H new ATOM 0 HA GLU A 49 1.560 8.948 -8.482 1.00 10.03 H new ATOM 0 HB2 GLU A 49 1.403 11.264 -9.302 1.00 61.10 H new ATOM 0 HB3 GLU A 49 -0.254 11.364 -8.741 1.00 61.10 H new ATOM 0 HG2 GLU A 49 0.449 11.123 -6.423 1.00 63.02 H new ATOM 0 HG3 GLU A 49 2.102 10.805 -6.909 1.00 63.02 H new ATOM 779 N TRP A 50 0.054 7.904 -6.840 1.00 42.42 N ATOM 780 CA TRP A 50 -0.809 7.234 -5.889 1.00 34.31 C ATOM 781 C TRP A 50 0.015 6.686 -4.748 1.00 65.31 C ATOM 782 O TRP A 50 1.242 6.746 -4.782 1.00 21.13 O ATOM 783 CB TRP A 50 -1.590 6.100 -6.569 1.00 72.13 C ATOM 784 CG TRP A 50 -0.757 4.937 -7.027 1.00 55.31 C ATOM 785 CD1 TRP A 50 0.025 4.869 -8.144 1.00 72.12 C ATOM 786 CD2 TRP A 50 -0.645 3.658 -6.387 1.00 71.15 C ATOM 787 NE1 TRP A 50 0.618 3.634 -8.234 1.00 41.20 N ATOM 788 CE2 TRP A 50 0.224 2.874 -7.167 1.00 13.13 C ATOM 789 CE3 TRP A 50 -1.192 3.101 -5.228 1.00 64.33 C ATOM 790 CZ2 TRP A 50 0.557 1.565 -6.825 1.00 22.35 C ATOM 791 CZ3 TRP A 50 -0.857 1.804 -4.891 1.00 33.51 C ATOM 792 CH2 TRP A 50 0.009 1.049 -5.687 1.00 72.13 C ATOM 0 H TRP A 50 1.022 7.583 -6.833 1.00 42.42 H new ATOM 0 HA TRP A 50 -1.526 7.957 -5.500 1.00 34.31 H new ATOM 0 HB2 TRP A 50 -2.346 5.734 -5.875 1.00 72.13 H new ATOM 0 HB3 TRP A 50 -2.119 6.509 -7.430 1.00 72.13 H new ATOM 0 HD1 TRP A 50 0.158 5.671 -8.855 1.00 72.12 H new ATOM 0 HE1 TRP A 50 1.250 3.332 -8.976 1.00 41.20 H new ATOM 0 HE3 TRP A 50 -1.864 3.674 -4.607 1.00 64.33 H new ATOM 0 HZ2 TRP A 50 1.225 0.979 -7.439 1.00 22.35 H new ATOM 0 HZ3 TRP A 50 -1.272 1.365 -3.996 1.00 33.51 H new ATOM 0 HH2 TRP A 50 0.249 0.037 -5.396 1.00 72.13 H new ATOM 803 N PHE A 51 -0.646 6.162 -3.734 1.00 34.54 N ATOM 804 CA PHE A 51 0.062 5.519 -2.652 1.00 61.43 C ATOM 805 C PHE A 51 -0.877 4.700 -1.785 1.00 43.43 C ATOM 806 O PHE A 51 -2.088 4.943 -1.757 1.00 72.35 O ATOM 807 CB PHE A 51 0.821 6.548 -1.807 1.00 31.44 C ATOM 808 CG PHE A 51 -0.023 7.493 -1.002 1.00 10.33 C ATOM 809 CD1 PHE A 51 -0.568 7.091 0.208 1.00 25.33 C ATOM 810 CD2 PHE A 51 -0.232 8.792 -1.428 1.00 54.41 C ATOM 811 CE1 PHE A 51 -1.303 7.964 0.975 1.00 40.13 C ATOM 812 CE2 PHE A 51 -0.974 9.672 -0.667 1.00 72.22 C ATOM 813 CZ PHE A 51 -1.508 9.258 0.537 1.00 5.42 C ATOM 0 H PHE A 51 -1.662 6.170 -3.640 1.00 34.54 H new ATOM 0 HA PHE A 51 0.788 4.836 -3.094 1.00 61.43 H new ATOM 0 HB2 PHE A 51 1.481 6.012 -1.125 1.00 31.44 H new ATOM 0 HB3 PHE A 51 1.456 7.135 -2.470 1.00 31.44 H new ATOM 0 HD1 PHE A 51 -0.413 6.079 0.552 1.00 25.33 H new ATOM 0 HD2 PHE A 51 0.190 9.121 -2.366 1.00 54.41 H new ATOM 0 HE1 PHE A 51 -1.719 7.639 1.917 1.00 40.13 H new ATOM 0 HE2 PHE A 51 -1.137 10.682 -1.012 1.00 72.22 H new ATOM 0 HZ PHE A 51 -2.086 9.946 1.136 1.00 5.42 H new ATOM 823 N VAL A 52 -0.310 3.724 -1.096 1.00 25.24 N ATOM 824 CA VAL A 52 -1.062 2.920 -0.150 1.00 63.34 C ATOM 825 C VAL A 52 -0.475 3.058 1.243 1.00 52.41 C ATOM 826 O VAL A 52 0.740 2.958 1.444 1.00 2.20 O ATOM 827 CB VAL A 52 -1.113 1.426 -0.540 1.00 43.42 C ATOM 828 CG1 VAL A 52 -2.006 1.215 -1.745 1.00 73.53 C ATOM 829 CG2 VAL A 52 0.276 0.882 -0.821 1.00 24.40 C ATOM 0 H VAL A 52 0.674 3.469 -1.176 1.00 25.24 H new ATOM 0 HA VAL A 52 -2.084 3.298 -0.166 1.00 63.34 H new ATOM 0 HB VAL A 52 -1.530 0.880 0.307 1.00 43.42 H new ATOM 0 HG11 VAL A 52 -2.027 0.156 -2.002 1.00 73.53 H new ATOM 0 HG12 VAL A 52 -3.016 1.552 -1.513 1.00 73.53 H new ATOM 0 HG13 VAL A 52 -1.619 1.785 -2.589 1.00 73.53 H new ATOM 0 HG21 VAL A 52 0.206 -0.171 -1.093 1.00 24.40 H new ATOM 0 HG22 VAL A 52 0.726 1.440 -1.643 1.00 24.40 H new ATOM 0 HG23 VAL A 52 0.895 0.987 0.070 1.00 24.40 H new ATOM 839 N LEU A 53 -1.335 3.300 2.203 1.00 12.53 N ATOM 840 CA LEU A 53 -0.896 3.448 3.568 1.00 52.15 C ATOM 841 C LEU A 53 -1.674 2.508 4.468 1.00 13.54 C ATOM 842 O LEU A 53 -2.865 2.251 4.251 1.00 74.21 O ATOM 843 CB LEU A 53 -0.973 4.926 4.037 1.00 64.22 C ATOM 844 CG LEU A 53 -2.355 5.585 4.260 1.00 52.44 C ATOM 845 CD1 LEU A 53 -3.301 5.342 3.102 1.00 44.12 C ATOM 846 CD2 LEU A 53 -2.977 5.143 5.577 1.00 34.13 C ATOM 0 H LEU A 53 -2.341 3.398 2.064 1.00 12.53 H new ATOM 0 HA LEU A 53 0.156 3.170 3.630 1.00 52.15 H new ATOM 0 HB2 LEU A 53 -0.421 5.000 4.974 1.00 64.22 H new ATOM 0 HB3 LEU A 53 -0.438 5.529 3.303 1.00 64.22 H new ATOM 0 HG LEU A 53 -2.183 6.660 4.313 1.00 52.44 H new ATOM 0 HD11 LEU A 53 -4.257 5.824 3.306 1.00 44.12 H new ATOM 0 HD12 LEU A 53 -2.873 5.756 2.189 1.00 44.12 H new ATOM 0 HD13 LEU A 53 -3.455 4.270 2.976 1.00 44.12 H new ATOM 0 HD21 LEU A 53 -3.947 5.625 5.701 1.00 34.13 H new ATOM 0 HD22 LEU A 53 -3.108 4.061 5.573 1.00 34.13 H new ATOM 0 HD23 LEU A 53 -2.323 5.426 6.402 1.00 34.13 H new ATOM 858 N ASN A 54 -0.982 1.954 5.444 1.00 71.45 N ATOM 859 CA ASN A 54 -1.618 1.087 6.408 1.00 24.41 C ATOM 860 C ASN A 54 -2.476 1.904 7.343 1.00 74.21 C ATOM 861 O ASN A 54 -1.970 2.666 8.166 1.00 54.12 O ATOM 862 CB ASN A 54 -0.593 0.277 7.202 1.00 31.12 C ATOM 863 CG ASN A 54 0.055 -0.817 6.371 1.00 40.11 C ATOM 864 OD1 ASN A 54 -0.440 -1.939 6.315 1.00 32.33 O ATOM 865 ND2 ASN A 54 1.157 -0.503 5.708 1.00 71.10 N ATOM 0 H ASN A 54 0.019 2.090 5.588 1.00 71.45 H new ATOM 0 HA ASN A 54 -2.244 0.380 5.864 1.00 24.41 H new ATOM 0 HB2 ASN A 54 0.179 0.946 7.581 1.00 31.12 H new ATOM 0 HB3 ASN A 54 -1.081 -0.170 8.068 1.00 31.12 H new ATOM 0 HD21 ASN A 54 1.621 -1.203 5.129 1.00 71.10 H new ATOM 0 HD22 ASN A 54 1.542 0.439 5.776 1.00 71.10 H new ATOM 872 N ALA A 55 -3.779 1.782 7.178 1.00 52.13 N ATOM 873 CA ALA A 55 -4.715 2.411 8.082 1.00 33.32 C ATOM 874 C ALA A 55 -4.809 1.575 9.346 1.00 44.02 C ATOM 875 O ALA A 55 -4.213 0.500 9.415 1.00 3.31 O ATOM 876 CB ALA A 55 -6.072 2.579 7.421 1.00 53.34 C ATOM 0 H ALA A 55 -4.212 1.251 6.423 1.00 52.13 H new ATOM 0 HA ALA A 55 -4.364 3.409 8.342 1.00 33.32 H new ATOM 0 HB1 ALA A 55 -6.761 3.054 8.120 1.00 53.34 H new ATOM 0 HB2 ALA A 55 -5.969 3.202 6.532 1.00 53.34 H new ATOM 0 HB3 ALA A 55 -6.461 1.602 7.136 1.00 53.34 H new ATOM 882 N GLU A 56 -5.554 2.052 10.331 1.00 73.25 N ATOM 883 CA GLU A 56 -5.581 1.418 11.646 1.00 53.32 C ATOM 884 C GLU A 56 -5.987 -0.055 11.565 1.00 55.13 C ATOM 885 O GLU A 56 -5.499 -0.883 12.340 1.00 73.53 O ATOM 886 CB GLU A 56 -6.513 2.186 12.582 1.00 45.53 C ATOM 887 CG GLU A 56 -6.495 1.673 14.009 1.00 24.01 C ATOM 888 CD GLU A 56 -6.835 2.753 15.006 1.00 14.11 C ATOM 889 OE1 GLU A 56 -8.030 2.950 15.299 1.00 61.22 O ATOM 890 OE2 GLU A 56 -5.899 3.412 15.504 1.00 51.32 O ATOM 0 H GLU A 56 -6.149 2.876 10.248 1.00 73.25 H new ATOM 0 HA GLU A 56 -4.569 1.449 12.049 1.00 53.32 H new ATOM 0 HB2 GLU A 56 -6.231 3.239 12.579 1.00 45.53 H new ATOM 0 HB3 GLU A 56 -7.531 2.128 12.196 1.00 45.53 H new ATOM 0 HG2 GLU A 56 -7.206 0.853 14.108 1.00 24.01 H new ATOM 0 HG3 GLU A 56 -5.508 1.269 14.236 1.00 24.01 H new ATOM 897 N SER A 57 -6.836 -0.389 10.607 1.00 21.30 N ATOM 898 CA SER A 57 -7.289 -1.760 10.450 1.00 64.32 C ATOM 899 C SER A 57 -6.491 -2.460 9.354 1.00 62.33 C ATOM 900 O SER A 57 -6.904 -2.512 8.195 1.00 31.42 O ATOM 901 CB SER A 57 -8.783 -1.791 10.138 1.00 53.22 C ATOM 902 OG SER A 57 -9.522 -1.097 11.130 1.00 64.31 O ATOM 0 H SER A 57 -7.224 0.268 9.929 1.00 21.30 H new ATOM 0 HA SER A 57 -7.124 -2.294 11.386 1.00 64.32 H new ATOM 0 HB2 SER A 57 -8.964 -1.340 9.162 1.00 53.22 H new ATOM 0 HB3 SER A 57 -9.125 -2.824 10.080 1.00 53.22 H new ATOM 0 HG SER A 57 -10.476 -1.128 10.909 1.00 64.31 H new ATOM 908 N ASN A 58 -5.320 -2.953 9.728 1.00 51.32 N ATOM 909 CA ASN A 58 -4.444 -3.665 8.801 1.00 61.21 C ATOM 910 C ASN A 58 -3.959 -4.963 9.420 1.00 22.21 C ATOM 911 O ASN A 58 -3.286 -5.763 8.774 1.00 31.54 O ATOM 912 CB ASN A 58 -3.225 -2.806 8.442 1.00 15.22 C ATOM 913 CG ASN A 58 -2.320 -2.550 9.637 1.00 21.31 C ATOM 914 OD1 ASN A 58 -1.419 -3.334 9.931 1.00 35.30 O ATOM 915 ND2 ASN A 58 -2.551 -1.449 10.331 1.00 30.03 N ATOM 0 H ASN A 58 -4.949 -2.873 10.675 1.00 51.32 H new ATOM 0 HA ASN A 58 -5.018 -3.879 7.899 1.00 61.21 H new ATOM 0 HB2 ASN A 58 -2.654 -3.302 7.657 1.00 15.22 H new ATOM 0 HB3 ASN A 58 -3.563 -1.853 8.036 1.00 15.22 H new ATOM 0 HD21 ASN A 58 -1.972 -1.226 11.141 1.00 30.03 H new ATOM 0 HD22 ASN A 58 -3.308 -0.823 10.057 1.00 30.03 H new ATOM 922 N VAL A 59 -4.329 -5.178 10.667 1.00 61.54 N ATOM 923 CA VAL A 59 -3.732 -6.229 11.466 1.00 43.15 C ATOM 924 C VAL A 59 -4.391 -7.583 11.196 1.00 60.44 C ATOM 925 O VAL A 59 -3.705 -8.601 11.096 1.00 13.12 O ATOM 926 CB VAL A 59 -3.852 -5.908 12.963 1.00 5.45 C ATOM 927 CG1 VAL A 59 -3.106 -6.934 13.805 1.00 45.22 C ATOM 928 CG2 VAL A 59 -3.359 -4.500 13.256 1.00 41.44 C ATOM 0 H VAL A 59 -5.044 -4.635 11.151 1.00 61.54 H new ATOM 0 HA VAL A 59 -2.681 -6.285 11.184 1.00 43.15 H new ATOM 0 HB VAL A 59 -4.907 -5.959 13.234 1.00 5.45 H new ATOM 0 HG11 VAL A 59 -3.208 -6.682 14.861 1.00 45.22 H new ATOM 0 HG12 VAL A 59 -3.524 -7.925 13.626 1.00 45.22 H new ATOM 0 HG13 VAL A 59 -2.051 -6.931 13.532 1.00 45.22 H new ATOM 0 HG21 VAL A 59 -3.454 -4.296 14.322 1.00 41.44 H new ATOM 0 HG22 VAL A 59 -2.313 -4.412 12.961 1.00 41.44 H new ATOM 0 HG23 VAL A 59 -3.956 -3.781 12.694 1.00 41.44 H new ATOM 938 N GLU A 60 -5.717 -7.595 11.069 1.00 13.33 N ATOM 939 CA GLU A 60 -6.444 -8.842 10.909 1.00 35.34 C ATOM 940 C GLU A 60 -6.601 -9.139 9.436 1.00 72.25 C ATOM 941 O GLU A 60 -6.895 -10.259 9.037 1.00 74.33 O ATOM 942 CB GLU A 60 -7.824 -8.738 11.557 1.00 1.20 C ATOM 943 CG GLU A 60 -7.785 -8.344 13.024 1.00 74.23 C ATOM 944 CD GLU A 60 -9.160 -8.043 13.576 1.00 30.32 C ATOM 945 OE1 GLU A 60 -9.851 -8.985 14.019 1.00 12.52 O ATOM 946 OE2 GLU A 60 -9.564 -6.861 13.559 1.00 11.25 O ATOM 0 H GLU A 60 -6.301 -6.759 11.074 1.00 13.33 H new ATOM 0 HA GLU A 60 -5.887 -9.644 11.393 1.00 35.34 H new ATOM 0 HB2 GLU A 60 -8.418 -8.006 11.010 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -8.333 -9.697 11.461 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -7.333 -9.150 13.602 1.00 74.23 H new ATOM 0 HG3 GLU A 60 -7.148 -7.468 13.145 1.00 74.23 H new ATOM 953 N VAL A 61 -6.365 -8.113 8.642 1.00 53.45 N ATOM 954 CA VAL A 61 -6.682 -8.143 7.232 1.00 63.55 C ATOM 955 C VAL A 61 -5.627 -8.907 6.442 1.00 40.02 C ATOM 956 O VAL A 61 -5.927 -9.555 5.437 1.00 42.31 O ATOM 957 CB VAL A 61 -6.826 -6.700 6.673 1.00 21.52 C ATOM 958 CG1 VAL A 61 -7.513 -5.802 7.693 1.00 22.41 C ATOM 959 CG2 VAL A 61 -5.487 -6.103 6.259 1.00 74.34 C ATOM 0 H VAL A 61 -5.949 -7.237 8.958 1.00 53.45 H new ATOM 0 HA VAL A 61 -7.633 -8.663 7.119 1.00 63.55 H new ATOM 0 HB VAL A 61 -7.442 -6.763 5.776 1.00 21.52 H new ATOM 0 HG11 VAL A 61 -7.606 -4.795 7.287 1.00 22.41 H new ATOM 0 HG12 VAL A 61 -8.504 -6.197 7.916 1.00 22.41 H new ATOM 0 HG13 VAL A 61 -6.921 -5.771 8.608 1.00 22.41 H new ATOM 0 HG21 VAL A 61 -5.641 -5.095 5.875 1.00 74.34 H new ATOM 0 HG22 VAL A 61 -4.823 -6.065 7.123 1.00 74.34 H new ATOM 0 HG23 VAL A 61 -5.037 -6.722 5.482 1.00 74.34 H new ATOM 969 N ASP A 62 -4.404 -8.877 6.934 1.00 15.30 N ATOM 970 CA ASP A 62 -3.273 -9.266 6.126 1.00 10.35 C ATOM 971 C ASP A 62 -2.472 -10.386 6.772 1.00 53.04 C ATOM 972 O ASP A 62 -2.182 -10.353 7.971 1.00 41.01 O ATOM 973 CB ASP A 62 -2.400 -8.037 5.902 1.00 11.14 C ATOM 974 CG ASP A 62 -1.305 -8.243 4.861 1.00 64.22 C ATOM 975 OD1 ASP A 62 -0.609 -9.277 4.896 1.00 15.11 O ATOM 976 OD2 ASP A 62 -1.146 -7.362 3.992 1.00 74.25 O ATOM 0 H ASP A 62 -4.172 -8.588 7.884 1.00 15.30 H new ATOM 0 HA ASP A 62 -3.633 -9.653 5.172 1.00 10.35 H new ATOM 0 HB2 ASP A 62 -3.032 -7.205 5.591 1.00 11.14 H new ATOM 0 HB3 ASP A 62 -1.940 -7.752 6.848 1.00 11.14 H new ATOM 981 N LEU A 63 -2.141 -11.391 5.973 1.00 31.52 N ATOM 982 CA LEU A 63 -1.301 -12.489 6.424 1.00 12.31 C ATOM 983 C LEU A 63 -0.017 -12.520 5.603 1.00 2.55 C ATOM 984 O LEU A 63 1.087 -12.431 6.144 1.00 12.20 O ATOM 985 CB LEU A 63 -2.046 -13.829 6.311 1.00 31.24 C ATOM 986 CG LEU A 63 -3.007 -14.162 7.465 1.00 44.10 C ATOM 987 CD1 LEU A 63 -4.114 -13.126 7.593 1.00 31.40 C ATOM 988 CD2 LEU A 63 -3.601 -15.547 7.269 1.00 74.34 C ATOM 0 H LEU A 63 -2.445 -11.467 5.002 1.00 31.52 H new ATOM 0 HA LEU A 63 -1.051 -12.333 7.473 1.00 12.31 H new ATOM 0 HB2 LEU A 63 -2.613 -13.830 5.380 1.00 31.24 H new ATOM 0 HB3 LEU A 63 -1.308 -14.628 6.236 1.00 31.24 H new ATOM 0 HG LEU A 63 -2.432 -14.146 8.391 1.00 44.10 H new ATOM 0 HD11 LEU A 63 -4.772 -13.397 8.419 1.00 31.40 H new ATOM 0 HD12 LEU A 63 -3.675 -12.147 7.784 1.00 31.40 H new ATOM 0 HD13 LEU A 63 -4.689 -13.092 6.668 1.00 31.40 H new ATOM 0 HD21 LEU A 63 -4.280 -15.772 8.092 1.00 74.34 H new ATOM 0 HD22 LEU A 63 -4.150 -15.578 6.328 1.00 74.34 H new ATOM 0 HD23 LEU A 63 -2.800 -16.286 7.247 1.00 74.34 H new ATOM 1000 N THR A 64 -0.168 -12.638 4.291 1.00 12.55 N ATOM 1001 CA THR A 64 0.961 -12.600 3.368 1.00 22.31 C ATOM 1002 C THR A 64 0.637 -11.631 2.229 1.00 55.34 C ATOM 1003 O THR A 64 1.296 -11.600 1.176 1.00 25.23 O ATOM 1004 CB THR A 64 1.262 -14.009 2.809 1.00 22.44 C ATOM 1005 OG1 THR A 64 1.190 -14.974 3.869 1.00 72.23 O ATOM 1006 CG2 THR A 64 2.648 -14.075 2.173 1.00 54.53 C ATOM 0 H THR A 64 -1.073 -12.762 3.836 1.00 12.55 H new ATOM 0 HA THR A 64 1.849 -12.258 3.900 1.00 22.31 H new ATOM 0 HB THR A 64 0.519 -14.229 2.043 1.00 22.44 H new ATOM 0 HG1 THR A 64 0.535 -15.665 3.638 1.00 72.23 H new ATOM 0 HG21 THR A 64 2.825 -15.080 1.791 1.00 54.53 H new ATOM 0 HG22 THR A 64 2.706 -13.359 1.353 1.00 54.53 H new ATOM 0 HG23 THR A 64 3.403 -13.833 2.921 1.00 54.53 H new ATOM 1014 N ALA A 65 -0.373 -10.804 2.465 1.00 11.21 N ATOM 1015 CA ALA A 65 -0.856 -9.902 1.445 1.00 64.34 C ATOM 1016 C ALA A 65 0.170 -8.820 1.180 1.00 22.54 C ATOM 1017 O ALA A 65 0.264 -8.327 0.063 1.00 53.34 O ATOM 1018 CB ALA A 65 -2.197 -9.297 1.826 1.00 3.44 C ATOM 0 H ALA A 65 -0.869 -10.744 3.354 1.00 11.21 H new ATOM 0 HA ALA A 65 -1.008 -10.474 0.529 1.00 64.34 H new ATOM 0 HB1 ALA A 65 -2.530 -8.624 1.036 1.00 3.44 H new ATOM 0 HB2 ALA A 65 -2.931 -10.092 1.958 1.00 3.44 H new ATOM 0 HB3 ALA A 65 -2.094 -8.740 2.757 1.00 3.44 H new ATOM 1024 N LEU A 66 0.949 -8.457 2.203 1.00 2.50 N ATOM 1025 CA LEU A 66 2.031 -7.504 1.999 1.00 41.31 C ATOM 1026 C LEU A 66 3.041 -8.053 1.021 1.00 42.11 C ATOM 1027 O LEU A 66 3.576 -7.312 0.213 1.00 3.30 O ATOM 1028 CB LEU A 66 2.728 -7.041 3.303 1.00 54.53 C ATOM 1029 CG LEU A 66 3.474 -8.069 4.199 1.00 23.53 C ATOM 1030 CD1 LEU A 66 2.568 -9.209 4.632 1.00 4.12 C ATOM 1031 CD2 LEU A 66 4.726 -8.610 3.526 1.00 64.43 C ATOM 0 H LEU A 66 0.851 -8.802 3.158 1.00 2.50 H new ATOM 0 HA LEU A 66 1.564 -6.611 1.585 1.00 41.31 H new ATOM 0 HB2 LEU A 66 3.448 -6.270 3.028 1.00 54.53 H new ATOM 0 HB3 LEU A 66 1.969 -6.563 3.923 1.00 54.53 H new ATOM 0 HG LEU A 66 3.782 -7.527 5.093 1.00 23.53 H new ATOM 0 HD11 LEU A 66 3.130 -9.904 5.256 1.00 4.12 H new ATOM 0 HD12 LEU A 66 1.727 -8.810 5.199 1.00 4.12 H new ATOM 0 HD13 LEU A 66 2.196 -9.732 3.751 1.00 4.12 H new ATOM 0 HD21 LEU A 66 5.215 -9.325 4.188 1.00 64.43 H new ATOM 0 HD22 LEU A 66 4.453 -9.106 2.595 1.00 64.43 H new ATOM 0 HD23 LEU A 66 5.409 -7.787 3.312 1.00 64.43 H new ATOM 1043 N ASP A 67 3.291 -9.354 1.073 1.00 45.14 N ATOM 1044 CA ASP A 67 4.228 -9.950 0.141 1.00 51.52 C ATOM 1045 C ASP A 67 3.729 -9.676 -1.255 1.00 22.11 C ATOM 1046 O ASP A 67 4.445 -9.113 -2.080 1.00 45.15 O ATOM 1047 CB ASP A 67 4.380 -11.454 0.375 1.00 25.21 C ATOM 1048 CG ASP A 67 5.338 -12.099 -0.608 1.00 40.21 C ATOM 1049 OD1 ASP A 67 6.567 -12.023 -0.390 1.00 12.44 O ATOM 1050 OD2 ASP A 67 4.871 -12.685 -1.607 1.00 64.14 O ATOM 0 H ASP A 67 2.867 -10.002 1.737 1.00 45.14 H new ATOM 0 HA ASP A 67 5.215 -9.511 0.287 1.00 51.52 H new ATOM 0 HB2 ASP A 67 4.736 -11.627 1.391 1.00 25.21 H new ATOM 0 HB3 ASP A 67 3.404 -11.932 0.293 1.00 25.21 H new ATOM 1055 N ALA A 68 2.461 -10.002 -1.471 1.00 62.54 N ATOM 1056 CA ALA A 68 1.814 -9.752 -2.751 1.00 42.30 C ATOM 1057 C ALA A 68 1.838 -8.263 -3.121 1.00 44.15 C ATOM 1058 O ALA A 68 2.526 -7.852 -4.069 1.00 33.12 O ATOM 1059 CB ALA A 68 0.382 -10.270 -2.728 1.00 3.44 C ATOM 0 H ALA A 68 1.860 -10.441 -0.774 1.00 62.54 H new ATOM 0 HA ALA A 68 2.376 -10.289 -3.515 1.00 42.30 H new ATOM 0 HB1 ALA A 68 -0.090 -10.077 -3.691 1.00 3.44 H new ATOM 0 HB2 ALA A 68 0.386 -11.343 -2.535 1.00 3.44 H new ATOM 0 HB3 ALA A 68 -0.176 -9.762 -1.942 1.00 3.44 H new ATOM 1065 N LEU A 69 1.121 -7.457 -2.349 1.00 53.01 N ATOM 1066 CA LEU A 69 0.882 -6.070 -2.714 1.00 11.11 C ATOM 1067 C LEU A 69 2.149 -5.222 -2.650 1.00 34.10 C ATOM 1068 O LEU A 69 2.352 -4.380 -3.514 1.00 33.21 O ATOM 1069 CB LEU A 69 -0.251 -5.453 -1.866 1.00 5.13 C ATOM 1070 CG LEU A 69 -0.042 -5.398 -0.344 1.00 41.34 C ATOM 1071 CD1 LEU A 69 0.719 -4.146 0.070 1.00 60.04 C ATOM 1072 CD2 LEU A 69 -1.382 -5.461 0.374 1.00 0.11 C ATOM 0 H LEU A 69 0.696 -7.741 -1.467 1.00 53.01 H new ATOM 0 HA LEU A 69 0.560 -6.072 -3.755 1.00 11.11 H new ATOM 0 HB2 LEU A 69 -0.422 -4.436 -2.220 1.00 5.13 H new ATOM 0 HB3 LEU A 69 -1.164 -6.016 -2.061 1.00 5.13 H new ATOM 0 HG LEU A 69 0.557 -6.262 -0.058 1.00 41.34 H new ATOM 0 HD11 LEU A 69 0.849 -4.140 1.152 1.00 60.04 H new ATOM 0 HD12 LEU A 69 1.696 -4.138 -0.413 1.00 60.04 H new ATOM 0 HD13 LEU A 69 0.158 -3.262 -0.233 1.00 60.04 H new ATOM 0 HD21 LEU A 69 -1.220 -5.421 1.451 1.00 0.11 H new ATOM 0 HD22 LEU A 69 -1.999 -4.616 0.068 1.00 0.11 H new ATOM 0 HD23 LEU A 69 -1.889 -6.391 0.118 1.00 0.11 H new ATOM 1084 N ASP A 70 3.010 -5.449 -1.664 1.00 42.33 N ATOM 1085 CA ASP A 70 4.199 -4.609 -1.508 1.00 74.12 C ATOM 1086 C ASP A 70 5.180 -4.888 -2.621 1.00 74.24 C ATOM 1087 O ASP A 70 5.716 -3.957 -3.216 1.00 54.15 O ATOM 1088 CB ASP A 70 4.899 -4.832 -0.173 1.00 44.43 C ATOM 1089 CG ASP A 70 5.695 -3.616 0.280 1.00 72.13 C ATOM 1090 OD1 ASP A 70 5.075 -2.617 0.706 1.00 62.23 O ATOM 1091 OD2 ASP A 70 6.941 -3.641 0.211 1.00 4.51 O ATOM 0 H ASP A 70 2.914 -6.192 -0.971 1.00 42.33 H new ATOM 0 HA ASP A 70 3.859 -3.574 -1.545 1.00 74.12 H new ATOM 0 HB2 ASP A 70 4.156 -5.079 0.586 1.00 44.43 H new ATOM 0 HB3 ASP A 70 5.567 -5.689 -0.256 1.00 44.43 H new ATOM 1096 N GLN A 71 5.390 -6.172 -2.926 1.00 31.51 N ATOM 1097 CA GLN A 71 6.328 -6.547 -3.973 1.00 43.22 C ATOM 1098 C GLN A 71 5.924 -5.885 -5.279 1.00 53.23 C ATOM 1099 O GLN A 71 6.773 -5.402 -6.013 1.00 71.25 O ATOM 1100 CB GLN A 71 6.405 -8.072 -4.144 1.00 13.02 C ATOM 1101 CG GLN A 71 5.590 -8.613 -5.309 1.00 4.31 C ATOM 1102 CD GLN A 71 5.244 -10.070 -5.153 1.00 40.10 C ATOM 1103 OE1 GLN A 71 4.144 -10.315 -4.479 1.00 31.52 O flip ATOM 1104 NE2 GLN A 71 5.962 -10.959 -5.613 1.00 5.32 N flip ATOM 0 H GLN A 71 4.927 -6.956 -2.466 1.00 31.51 H new ATOM 0 HA GLN A 71 7.321 -6.202 -3.683 1.00 43.22 H new ATOM 0 HB2 GLN A 71 7.448 -8.358 -4.281 1.00 13.02 H new ATOM 0 HB3 GLN A 71 6.062 -8.547 -3.225 1.00 13.02 H new ATOM 0 HG2 GLN A 71 4.671 -8.034 -5.403 1.00 4.31 H new ATOM 0 HG3 GLN A 71 6.150 -8.474 -6.234 1.00 4.31 H new ATOM 0 HE21 GLN A 71 6.807 -10.716 -6.130 1.00 5.32 H new ATOM 0 HE22 GLN A 71 5.711 -11.938 -5.477 1.00 5.32 H new ATOM 1113 N LEU A 72 4.617 -5.831 -5.559 1.00 3.53 N ATOM 1114 CA LEU A 72 4.164 -5.221 -6.797 1.00 74.12 C ATOM 1115 C LEU A 72 4.095 -3.699 -6.674 1.00 24.11 C ATOM 1116 O LEU A 72 4.432 -2.989 -7.614 1.00 34.24 O ATOM 1117 CB LEU A 72 2.827 -5.821 -7.272 1.00 11.21 C ATOM 1118 CG LEU A 72 1.612 -5.632 -6.356 1.00 23.31 C ATOM 1119 CD1 LEU A 72 0.904 -4.315 -6.646 1.00 43.32 C ATOM 1120 CD2 LEU A 72 0.652 -6.798 -6.518 1.00 34.30 C ATOM 0 H LEU A 72 3.877 -6.194 -4.958 1.00 3.53 H new ATOM 0 HA LEU A 72 4.903 -5.450 -7.565 1.00 74.12 H new ATOM 0 HB2 LEU A 72 2.588 -5.389 -8.244 1.00 11.21 H new ATOM 0 HB3 LEU A 72 2.972 -6.890 -7.426 1.00 11.21 H new ATOM 0 HG LEU A 72 1.963 -5.602 -5.325 1.00 23.31 H new ATOM 0 HD11 LEU A 72 0.047 -4.209 -5.981 1.00 43.32 H new ATOM 0 HD12 LEU A 72 1.594 -3.487 -6.483 1.00 43.32 H new ATOM 0 HD13 LEU A 72 0.564 -4.305 -7.681 1.00 43.32 H new ATOM 0 HD21 LEU A 72 -0.208 -6.655 -5.864 1.00 34.30 H new ATOM 0 HD22 LEU A 72 0.315 -6.851 -7.553 1.00 34.30 H new ATOM 0 HD23 LEU A 72 1.159 -7.726 -6.254 1.00 34.30 H new ATOM 1132 N ARG A 73 3.701 -3.181 -5.516 1.00 11.31 N ATOM 1133 CA ARG A 73 3.567 -1.739 -5.371 1.00 20.40 C ATOM 1134 C ARG A 73 4.942 -1.072 -5.335 1.00 74.44 C ATOM 1135 O ARG A 73 5.072 0.068 -5.749 1.00 70.33 O ATOM 1136 CB ARG A 73 2.702 -1.355 -4.150 1.00 52.23 C ATOM 1137 CG ARG A 73 3.316 -1.665 -2.795 1.00 74.54 C ATOM 1138 CD ARG A 73 4.161 -0.520 -2.281 1.00 11.21 C ATOM 1139 NE ARG A 73 5.234 -0.994 -1.423 1.00 43.32 N ATOM 1140 CZ ARG A 73 6.478 -0.549 -1.495 1.00 40.22 C ATOM 1141 NH1 ARG A 73 6.759 0.499 -2.248 1.00 71.22 N ATOM 1142 NH2 ARG A 73 7.438 -1.141 -0.808 1.00 15.33 N ATOM 0 H ARG A 73 3.474 -3.724 -4.683 1.00 11.31 H new ATOM 0 HA ARG A 73 3.038 -1.364 -6.247 1.00 20.40 H new ATOM 0 HB2 ARG A 73 2.489 -0.287 -4.198 1.00 52.23 H new ATOM 0 HB3 ARG A 73 1.747 -1.874 -4.225 1.00 52.23 H new ATOM 0 HG2 ARG A 73 2.523 -1.881 -2.079 1.00 74.54 H new ATOM 0 HG3 ARG A 73 3.930 -2.563 -2.872 1.00 74.54 H new ATOM 0 HD2 ARG A 73 4.582 0.029 -3.123 1.00 11.21 H new ATOM 0 HD3 ARG A 73 3.532 0.178 -1.728 1.00 11.21 H new ATOM 0 HE ARG A 73 5.016 -1.708 -0.728 1.00 43.32 H new ATOM 0 HH11 ARG A 73 6.018 0.964 -2.773 1.00 71.22 H new ATOM 0 HH12 ARG A 73 7.717 0.844 -2.305 1.00 71.22 H new ATOM 0 HH21 ARG A 73 7.222 -1.945 -0.219 1.00 15.33 H new ATOM 0 HH22 ARG A 73 8.395 -0.794 -0.867 1.00 15.33 H new ATOM 1156 N THR A 74 5.967 -1.785 -4.862 1.00 64.11 N ATOM 1157 CA THR A 74 7.337 -1.271 -4.928 1.00 44.22 C ATOM 1158 C THR A 74 7.906 -1.520 -6.317 1.00 2.44 C ATOM 1159 O THR A 74 8.653 -0.702 -6.856 1.00 13.25 O ATOM 1160 CB THR A 74 8.276 -1.898 -3.862 1.00 41.11 C ATOM 1161 OG1 THR A 74 9.516 -1.180 -3.818 1.00 72.12 O ATOM 1162 CG2 THR A 74 8.572 -3.364 -4.154 1.00 63.31 C ATOM 0 H THR A 74 5.877 -2.707 -4.435 1.00 64.11 H new ATOM 0 HA THR A 74 7.287 -0.203 -4.717 1.00 44.22 H new ATOM 0 HB THR A 74 7.762 -1.833 -2.903 1.00 41.11 H new ATOM 0 HG1 THR A 74 9.338 -0.229 -3.662 1.00 72.12 H new ATOM 0 HG21 THR A 74 9.232 -3.762 -3.384 1.00 63.31 H new ATOM 0 HG22 THR A 74 7.640 -3.929 -4.161 1.00 63.31 H new ATOM 0 HG23 THR A 74 9.056 -3.451 -5.127 1.00 63.31 H new ATOM 1170 N GLU A 75 7.510 -2.645 -6.904 1.00 1.34 N ATOM 1171 CA GLU A 75 7.937 -3.018 -8.239 1.00 13.14 C ATOM 1172 C GLU A 75 7.509 -1.955 -9.237 1.00 3.54 C ATOM 1173 O GLU A 75 8.246 -1.620 -10.158 1.00 13.33 O ATOM 1174 CB GLU A 75 7.330 -4.368 -8.617 1.00 43.33 C ATOM 1175 CG GLU A 75 7.873 -4.942 -9.916 1.00 51.21 C ATOM 1176 CD GLU A 75 9.325 -5.370 -9.803 1.00 45.44 C ATOM 1177 OE1 GLU A 75 10.209 -4.492 -9.700 1.00 15.33 O ATOM 1178 OE2 GLU A 75 9.587 -6.589 -9.807 1.00 62.12 O ATOM 0 H GLU A 75 6.885 -3.320 -6.464 1.00 1.34 H new ATOM 0 HA GLU A 75 9.024 -3.100 -8.257 1.00 13.14 H new ATOM 0 HB2 GLU A 75 7.516 -5.078 -7.811 1.00 43.33 H new ATOM 0 HB3 GLU A 75 6.249 -4.259 -8.703 1.00 43.33 H new ATOM 0 HG2 GLU A 75 7.267 -5.799 -10.212 1.00 51.21 H new ATOM 0 HG3 GLU A 75 7.778 -4.197 -10.706 1.00 51.21 H new ATOM 1185 N LEU A 76 6.313 -1.421 -9.037 1.00 33.33 N ATOM 1186 CA LEU A 76 5.796 -0.361 -9.885 1.00 23.51 C ATOM 1187 C LEU A 76 6.158 1.017 -9.324 1.00 44.50 C ATOM 1188 O LEU A 76 6.163 2.009 -10.056 1.00 14.32 O ATOM 1189 CB LEU A 76 4.275 -0.488 -10.058 1.00 24.44 C ATOM 1190 CG LEU A 76 3.792 -1.563 -11.051 1.00 21.13 C ATOM 1191 CD1 LEU A 76 4.480 -1.399 -12.397 1.00 51.05 C ATOM 1192 CD2 LEU A 76 4.010 -2.974 -10.512 1.00 45.44 C ATOM 0 H LEU A 76 5.680 -1.708 -8.290 1.00 33.33 H new ATOM 0 HA LEU A 76 6.262 -0.463 -10.865 1.00 23.51 H new ATOM 0 HB2 LEU A 76 3.836 -0.699 -9.083 1.00 24.44 H new ATOM 0 HB3 LEU A 76 3.885 0.477 -10.381 1.00 24.44 H new ATOM 0 HG LEU A 76 2.719 -1.422 -11.184 1.00 21.13 H new ATOM 0 HD11 LEU A 76 4.125 -2.168 -13.083 1.00 51.05 H new ATOM 0 HD12 LEU A 76 4.251 -0.415 -12.805 1.00 51.05 H new ATOM 0 HD13 LEU A 76 5.558 -1.497 -12.269 1.00 51.05 H new ATOM 0 HD21 LEU A 76 3.656 -3.701 -11.243 1.00 45.44 H new ATOM 0 HD22 LEU A 76 5.072 -3.133 -10.327 1.00 45.44 H new ATOM 0 HD23 LEU A 76 3.457 -3.097 -9.581 1.00 45.44 H new ATOM 1204 N LEU A 77 6.475 1.081 -8.030 1.00 32.22 N ATOM 1205 CA LEU A 77 6.873 2.344 -7.402 1.00 44.54 C ATOM 1206 C LEU A 77 8.197 2.807 -7.977 1.00 14.02 C ATOM 1207 O LEU A 77 8.403 3.992 -8.234 1.00 22.12 O ATOM 1208 CB LEU A 77 6.973 2.194 -5.877 1.00 72.55 C ATOM 1209 CG LEU A 77 6.915 3.501 -5.080 1.00 24.05 C ATOM 1210 CD1 LEU A 77 6.420 3.244 -3.666 1.00 33.42 C ATOM 1211 CD2 LEU A 77 8.275 4.181 -5.027 1.00 23.25 C ATOM 0 H LEU A 77 6.465 0.280 -7.399 1.00 32.22 H new ATOM 0 HA LEU A 77 6.110 3.093 -7.614 1.00 44.54 H new ATOM 0 HB2 LEU A 77 6.164 1.547 -5.539 1.00 72.55 H new ATOM 0 HB3 LEU A 77 7.908 1.686 -5.640 1.00 72.55 H new ATOM 0 HG LEU A 77 6.217 4.163 -5.592 1.00 24.05 H new ATOM 0 HD11 LEU A 77 6.386 4.184 -3.116 1.00 33.42 H new ATOM 0 HD12 LEU A 77 5.421 2.809 -3.704 1.00 33.42 H new ATOM 0 HD13 LEU A 77 7.098 2.554 -3.163 1.00 33.42 H new ATOM 0 HD21 LEU A 77 8.198 5.105 -4.454 1.00 23.25 H new ATOM 0 HD22 LEU A 77 8.995 3.517 -4.549 1.00 23.25 H new ATOM 0 HD23 LEU A 77 8.608 4.409 -6.040 1.00 23.25 H new ATOM 1223 N ARG A 78 9.075 1.850 -8.217 1.00 10.13 N ATOM 1224 CA ARG A 78 10.379 2.129 -8.795 1.00 41.13 C ATOM 1225 C ARG A 78 10.259 2.368 -10.305 1.00 43.13 C ATOM 1226 O ARG A 78 11.261 2.402 -11.024 1.00 51.11 O ATOM 1227 CB ARG A 78 11.334 0.966 -8.493 1.00 20.45 C ATOM 1228 CG ARG A 78 10.876 -0.364 -9.073 1.00 61.23 C ATOM 1229 CD ARG A 78 11.770 -1.514 -8.636 1.00 52.30 C ATOM 1230 NE ARG A 78 13.141 -1.366 -9.129 1.00 34.23 N ATOM 1231 CZ ARG A 78 14.114 -2.253 -8.911 1.00 23.32 C ATOM 1232 NH1 ARG A 78 13.872 -3.366 -8.229 1.00 55.34 N ATOM 1233 NH2 ARG A 78 15.331 -2.035 -9.390 1.00 51.54 N ATOM 0 H ARG A 78 8.907 0.864 -8.019 1.00 10.13 H new ATOM 0 HA ARG A 78 10.783 3.037 -8.348 1.00 41.13 H new ATOM 0 HB2 ARG A 78 12.321 1.205 -8.889 1.00 20.45 H new ATOM 0 HB3 ARG A 78 11.440 0.865 -7.413 1.00 20.45 H new ATOM 0 HG2 ARG A 78 9.851 -0.562 -8.760 1.00 61.23 H new ATOM 0 HG3 ARG A 78 10.871 -0.302 -10.161 1.00 61.23 H new ATOM 0 HD2 ARG A 78 11.781 -1.570 -7.548 1.00 52.30 H new ATOM 0 HD3 ARG A 78 11.354 -2.454 -9.000 1.00 52.30 H new ATOM 0 HE ARG A 78 13.366 -0.533 -9.673 1.00 34.23 H new ATOM 0 HH11 ARG A 78 12.936 -3.549 -7.867 1.00 55.34 H new ATOM 0 HH12 ARG A 78 14.622 -4.038 -8.067 1.00 55.34 H new ATOM 0 HH21 ARG A 78 15.524 -1.189 -9.926 1.00 51.54 H new ATOM 0 HH22 ARG A 78 16.074 -2.714 -9.223 1.00 51.54 H new ATOM 1247 N ARG A 79 9.021 2.531 -10.778 1.00 20.22 N ATOM 1248 CA ARG A 79 8.751 2.817 -12.183 1.00 10.44 C ATOM 1249 C ARG A 79 8.048 4.167 -12.314 1.00 1.23 C ATOM 1250 O ARG A 79 8.531 5.073 -12.997 1.00 13.24 O ATOM 1251 CB ARG A 79 7.860 1.727 -12.801 1.00 42.53 C ATOM 1252 CG ARG A 79 8.227 0.309 -12.398 1.00 13.32 C ATOM 1253 CD ARG A 79 9.603 -0.098 -12.886 1.00 1.44 C ATOM 1254 NE ARG A 79 9.657 -0.208 -14.342 1.00 11.31 N ATOM 1255 CZ ARG A 79 10.774 -0.077 -15.058 1.00 72.43 C ATOM 1256 NH1 ARG A 79 11.930 0.176 -14.451 1.00 13.21 N ATOM 1257 NH2 ARG A 79 10.734 -0.213 -16.377 1.00 73.30 N ATOM 0 H ARG A 79 8.184 2.468 -10.199 1.00 20.22 H new ATOM 0 HA ARG A 79 9.703 2.841 -12.713 1.00 10.44 H new ATOM 0 HB2 ARG A 79 6.825 1.916 -12.515 1.00 42.53 H new ATOM 0 HB3 ARG A 79 7.910 1.807 -13.887 1.00 42.53 H new ATOM 0 HG2 ARG A 79 8.191 0.223 -11.312 1.00 13.32 H new ATOM 0 HG3 ARG A 79 7.485 -0.382 -12.798 1.00 13.32 H new ATOM 0 HD2 ARG A 79 10.338 0.634 -12.550 1.00 1.44 H new ATOM 0 HD3 ARG A 79 9.878 -1.054 -12.440 1.00 1.44 H new ATOM 0 HE ARG A 79 8.787 -0.396 -14.841 1.00 11.31 H new ATOM 0 HH11 ARG A 79 11.963 0.270 -13.436 1.00 13.21 H new ATOM 0 HH12 ARG A 79 12.783 0.276 -15.001 1.00 13.21 H new ATOM 0 HH21 ARG A 79 9.850 -0.417 -16.842 1.00 73.30 H new ATOM 0 HH22 ARG A 79 11.588 -0.113 -16.926 1.00 73.30 H new ATOM 1271 N GLY A 80 6.902 4.297 -11.647 1.00 33.23 N ATOM 1272 CA GLY A 80 6.122 5.520 -11.726 1.00 73.22 C ATOM 1273 C GLY A 80 6.294 6.400 -10.500 1.00 65.02 C ATOM 1274 O GLY A 80 7.380 6.464 -9.925 1.00 33.23 O ATOM 0 H GLY A 80 6.500 3.573 -11.051 1.00 33.23 H new ATOM 0 HA2 GLY A 80 6.417 6.078 -12.614 1.00 73.22 H new ATOM 0 HA3 GLY A 80 5.068 5.268 -11.843 1.00 73.22 H new ATOM 1278 N ILE A 81 5.226 7.080 -10.095 1.00 14.41 N ATOM 1279 CA ILE A 81 5.283 7.961 -8.937 1.00 64.13 C ATOM 1280 C ILE A 81 4.238 7.547 -7.892 1.00 55.42 C ATOM 1281 O ILE A 81 3.080 7.965 -7.909 1.00 23.51 O ATOM 1282 CB ILE A 81 5.136 9.455 -9.338 1.00 21.30 C ATOM 1283 CG1 ILE A 81 5.102 10.357 -8.099 1.00 2.53 C ATOM 1284 CG2 ILE A 81 3.910 9.686 -10.213 1.00 44.03 C ATOM 1285 CD1 ILE A 81 6.393 10.352 -7.310 1.00 60.45 C ATOM 0 H ILE A 81 4.314 7.037 -10.551 1.00 14.41 H new ATOM 0 HA ILE A 81 6.270 7.856 -8.486 1.00 64.13 H new ATOM 0 HB ILE A 81 6.013 9.720 -9.928 1.00 21.30 H new ATOM 0 HG12 ILE A 81 4.880 11.378 -8.409 1.00 2.53 H new ATOM 0 HG13 ILE A 81 4.288 10.037 -7.449 1.00 2.53 H new ATOM 0 HG21 ILE A 81 3.842 10.743 -10.472 1.00 44.03 H new ATOM 0 HG22 ILE A 81 3.996 9.094 -11.124 1.00 44.03 H new ATOM 0 HG23 ILE A 81 3.014 9.387 -9.670 1.00 44.03 H new ATOM 0 HD11 ILE A 81 6.295 11.012 -6.448 1.00 60.45 H new ATOM 0 HD12 ILE A 81 6.607 9.339 -6.969 1.00 60.45 H new ATOM 0 HD13 ILE A 81 7.208 10.701 -7.944 1.00 60.45 H new ATOM 1297 N VAL A 82 4.666 6.689 -6.992 1.00 14.23 N ATOM 1298 CA VAL A 82 3.794 6.139 -5.973 1.00 73.33 C ATOM 1299 C VAL A 82 4.555 6.050 -4.654 1.00 3.21 C ATOM 1300 O VAL A 82 5.780 6.130 -4.648 1.00 42.02 O ATOM 1301 CB VAL A 82 3.221 4.757 -6.424 1.00 4.04 C ATOM 1302 CG1 VAL A 82 4.177 4.058 -7.376 1.00 25.14 C ATOM 1303 CG2 VAL A 82 2.900 3.842 -5.248 1.00 32.34 C ATOM 0 H VAL A 82 5.628 6.352 -6.945 1.00 14.23 H new ATOM 0 HA VAL A 82 2.937 6.797 -5.825 1.00 73.33 H new ATOM 0 HB VAL A 82 2.285 4.967 -6.941 1.00 4.04 H new ATOM 0 HG11 VAL A 82 3.756 3.098 -7.675 1.00 25.14 H new ATOM 0 HG12 VAL A 82 4.330 4.679 -8.259 1.00 25.14 H new ATOM 0 HG13 VAL A 82 5.132 3.895 -6.877 1.00 25.14 H new ATOM 0 HG21 VAL A 82 2.505 2.896 -5.620 1.00 32.34 H new ATOM 0 HG22 VAL A 82 3.807 3.656 -4.674 1.00 32.34 H new ATOM 0 HG23 VAL A 82 2.157 4.319 -4.608 1.00 32.34 H new ATOM 1313 N PHE A 83 3.835 5.958 -3.543 1.00 42.24 N ATOM 1314 CA PHE A 83 4.458 5.824 -2.234 1.00 45.21 C ATOM 1315 C PHE A 83 3.728 4.764 -1.406 1.00 51.21 C ATOM 1316 O PHE A 83 2.727 4.194 -1.855 1.00 33.14 O ATOM 1317 CB PHE A 83 4.432 7.164 -1.495 1.00 74.40 C ATOM 1318 CG PHE A 83 5.013 8.316 -2.265 1.00 61.50 C ATOM 1319 CD1 PHE A 83 6.377 8.550 -2.262 1.00 53.44 C ATOM 1320 CD2 PHE A 83 4.190 9.170 -2.984 1.00 24.43 C ATOM 1321 CE1 PHE A 83 6.913 9.613 -2.963 1.00 21.21 C ATOM 1322 CE2 PHE A 83 4.719 10.235 -3.688 1.00 45.52 C ATOM 1323 CZ PHE A 83 6.083 10.457 -3.677 1.00 13.52 C ATOM 0 H PHE A 83 2.815 5.974 -3.524 1.00 42.24 H new ATOM 0 HA PHE A 83 5.494 5.515 -2.374 1.00 45.21 H new ATOM 0 HB2 PHE A 83 3.400 7.401 -1.236 1.00 74.40 H new ATOM 0 HB3 PHE A 83 4.979 7.058 -0.558 1.00 74.40 H new ATOM 0 HD1 PHE A 83 7.030 7.894 -1.705 1.00 53.44 H new ATOM 0 HD2 PHE A 83 3.123 9.001 -2.994 1.00 24.43 H new ATOM 0 HE1 PHE A 83 7.979 9.784 -2.953 1.00 21.21 H new ATOM 0 HE2 PHE A 83 4.068 10.892 -4.245 1.00 45.52 H new ATOM 0 HZ PHE A 83 6.500 11.289 -4.225 1.00 13.52 H new ATOM 1333 N ALA A 84 4.227 4.495 -0.202 1.00 0.14 N ATOM 1334 CA ALA A 84 3.579 3.556 0.709 1.00 14.45 C ATOM 1335 C ALA A 84 4.130 3.708 2.121 1.00 44.04 C ATOM 1336 O ALA A 84 5.233 4.229 2.306 1.00 25.34 O ATOM 1337 CB ALA A 84 3.761 2.127 0.226 1.00 45.34 C ATOM 0 H ALA A 84 5.080 4.915 0.166 1.00 0.14 H new ATOM 0 HA ALA A 84 2.513 3.784 0.726 1.00 14.45 H new ATOM 0 HB1 ALA A 84 3.271 1.443 0.919 1.00 45.34 H new ATOM 0 HB2 ALA A 84 3.319 2.019 -0.764 1.00 45.34 H new ATOM 0 HB3 ALA A 84 4.824 1.892 0.176 1.00 45.34 H new ATOM 1343 N MET A 85 3.364 3.269 3.119 1.00 5.33 N ATOM 1344 CA MET A 85 3.802 3.368 4.514 1.00 23.04 C ATOM 1345 C MET A 85 3.049 2.412 5.444 1.00 31.54 C ATOM 1346 O MET A 85 1.886 2.079 5.209 1.00 42.13 O ATOM 1347 CB MET A 85 3.640 4.801 5.024 1.00 21.24 C ATOM 1348 CG MET A 85 2.305 5.429 4.677 1.00 33.01 C ATOM 1349 SD MET A 85 1.576 6.328 6.055 1.00 4.53 S ATOM 1350 CE MET A 85 1.005 4.958 7.063 1.00 20.31 C ATOM 0 H MET A 85 2.445 2.845 2.992 1.00 5.33 H new ATOM 0 HA MET A 85 4.853 3.081 4.527 1.00 23.04 H new ATOM 0 HB2 MET A 85 3.763 4.807 6.107 1.00 21.24 H new ATOM 0 HB3 MET A 85 4.439 5.416 4.609 1.00 21.24 H new ATOM 0 HG2 MET A 85 2.437 6.109 3.835 1.00 33.01 H new ATOM 0 HG3 MET A 85 1.616 4.649 4.353 1.00 33.01 H new ATOM 0 HE1 MET A 85 0.030 5.199 7.486 1.00 20.31 H new ATOM 0 HE2 MET A 85 0.922 4.063 6.447 1.00 20.31 H new ATOM 0 HE3 MET A 85 1.716 4.779 7.870 1.00 20.31 H new ATOM 1360 N ALA A 86 3.734 1.996 6.507 1.00 33.54 N ATOM 1361 CA ALA A 86 3.168 1.136 7.543 1.00 30.01 C ATOM 1362 C ALA A 86 2.883 1.951 8.802 1.00 3.34 C ATOM 1363 O ALA A 86 3.119 3.158 8.820 1.00 43.14 O ATOM 1364 CB ALA A 86 4.128 -0.002 7.847 1.00 23.52 C ATOM 0 H ALA A 86 4.708 2.249 6.675 1.00 33.54 H new ATOM 0 HA ALA A 86 2.228 0.714 7.187 1.00 30.01 H new ATOM 0 HB1 ALA A 86 3.702 -0.641 8.620 1.00 23.52 H new ATOM 0 HB2 ALA A 86 4.295 -0.588 6.943 1.00 23.52 H new ATOM 0 HB3 ALA A 86 5.077 0.406 8.196 1.00 23.52 H new ATOM 1370 N ARG A 87 2.379 1.317 9.856 1.00 24.01 N ATOM 1371 CA ARG A 87 2.007 2.068 11.049 1.00 11.14 C ATOM 1372 C ARG A 87 2.247 1.325 12.364 1.00 20.34 C ATOM 1373 O ARG A 87 2.803 1.898 13.304 1.00 43.42 O ATOM 1374 CB ARG A 87 0.536 2.485 10.981 1.00 72.34 C ATOM 1375 CG ARG A 87 -0.444 1.324 10.865 1.00 13.22 C ATOM 1376 CD ARG A 87 -1.878 1.799 11.021 1.00 11.35 C ATOM 1377 NE ARG A 87 -2.212 2.135 12.404 1.00 50.23 N ATOM 1378 CZ ARG A 87 -2.403 3.376 12.850 1.00 35.33 C ATOM 1379 NH1 ARG A 87 -2.233 4.418 12.041 1.00 52.24 N ATOM 1380 NH2 ARG A 87 -2.761 3.577 14.111 1.00 41.32 N ATOM 0 H ARG A 87 2.222 0.311 9.910 1.00 24.01 H new ATOM 0 HA ARG A 87 2.663 2.938 11.052 1.00 11.14 H new ATOM 0 HB2 ARG A 87 0.293 3.061 11.874 1.00 72.34 H new ATOM 0 HB3 ARG A 87 0.398 3.147 10.126 1.00 72.34 H new ATOM 0 HG2 ARG A 87 -0.322 0.837 9.897 1.00 13.22 H new ATOM 0 HG3 ARG A 87 -0.220 0.578 11.627 1.00 13.22 H new ATOM 0 HD2 ARG A 87 -2.038 2.673 10.390 1.00 11.35 H new ATOM 0 HD3 ARG A 87 -2.555 1.022 10.666 1.00 11.35 H new ATOM 0 HE ARG A 87 -2.305 1.369 13.071 1.00 50.23 H new ATOM 0 HH11 ARG A 87 -1.954 4.270 11.071 1.00 52.24 H new ATOM 0 HH12 ARG A 87 -2.381 5.365 12.391 1.00 52.24 H new ATOM 0 HH21 ARG A 87 -2.890 2.782 14.737 1.00 41.32 H new ATOM 0 HH22 ARG A 87 -2.908 4.526 14.454 1.00 41.32 H new ATOM 1394 N VAL A 88 1.830 0.068 12.444 1.00 22.51 N ATOM 1395 CA VAL A 88 1.670 -0.575 13.743 1.00 42.51 C ATOM 1396 C VAL A 88 2.846 -1.508 14.101 1.00 13.42 C ATOM 1397 O VAL A 88 3.969 -1.032 14.274 1.00 10.10 O ATOM 1398 CB VAL A 88 0.279 -1.272 13.838 1.00 35.12 C ATOM 1399 CG1 VAL A 88 0.107 -2.352 12.775 1.00 53.13 C ATOM 1400 CG2 VAL A 88 0.018 -1.815 15.239 1.00 30.34 C ATOM 0 H VAL A 88 1.600 -0.518 11.641 1.00 22.51 H new ATOM 0 HA VAL A 88 1.696 0.204 14.505 1.00 42.51 H new ATOM 0 HB VAL A 88 -0.473 -0.509 13.639 1.00 35.12 H new ATOM 0 HG11 VAL A 88 -0.876 -2.811 12.878 1.00 53.13 H new ATOM 0 HG12 VAL A 88 0.197 -1.905 11.785 1.00 53.13 H new ATOM 0 HG13 VAL A 88 0.878 -3.113 12.901 1.00 53.13 H new ATOM 0 HG21 VAL A 88 -0.961 -2.294 15.267 1.00 30.34 H new ATOM 0 HG22 VAL A 88 0.786 -2.544 15.496 1.00 30.34 H new ATOM 0 HG23 VAL A 88 0.042 -0.995 15.957 1.00 30.34 H new ATOM 1410 N LYS A 89 2.609 -2.813 14.226 1.00 10.03 N ATOM 1411 CA LYS A 89 3.637 -3.734 14.694 1.00 34.42 C ATOM 1412 C LYS A 89 3.459 -5.133 14.106 1.00 1.33 C ATOM 1413 O LYS A 89 3.758 -6.134 14.751 1.00 71.14 O ATOM 1414 CB LYS A 89 3.665 -3.768 16.235 1.00 4.31 C ATOM 1415 CG LYS A 89 2.298 -3.862 16.905 1.00 73.21 C ATOM 1416 CD LYS A 89 1.704 -5.259 16.812 1.00 21.33 C ATOM 1417 CE LYS A 89 0.409 -5.378 17.598 1.00 40.44 C ATOM 1418 NZ LYS A 89 0.612 -5.135 19.051 1.00 12.53 N ATOM 0 H LYS A 89 1.715 -3.253 14.009 1.00 10.03 H new ATOM 0 HA LYS A 89 4.601 -3.367 14.342 1.00 34.42 H new ATOM 0 HB2 LYS A 89 4.268 -4.619 16.553 1.00 4.31 H new ATOM 0 HB3 LYS A 89 4.167 -2.870 16.594 1.00 4.31 H new ATOM 0 HG2 LYS A 89 2.389 -3.578 17.953 1.00 73.21 H new ATOM 0 HG3 LYS A 89 1.618 -3.149 16.439 1.00 73.21 H new ATOM 0 HD2 LYS A 89 1.518 -5.505 15.767 1.00 21.33 H new ATOM 0 HD3 LYS A 89 2.425 -5.986 17.187 1.00 21.33 H new ATOM 0 HE2 LYS A 89 -0.317 -4.664 17.210 1.00 40.44 H new ATOM 0 HE3 LYS A 89 -0.013 -6.373 17.453 1.00 40.44 H new ATOM 0 HZ1 LYS A 89 -0.213 -5.484 19.580 1.00 12.53 H new ATOM 0 HZ2 LYS A 89 1.466 -5.636 19.371 1.00 12.53 H new ATOM 0 HZ3 LYS A 89 0.725 -4.115 19.220 1.00 12.53 H new ATOM 1432 N GLN A 90 2.992 -5.193 12.868 1.00 34.03 N ATOM 1433 CA GLN A 90 2.922 -6.453 12.132 1.00 64.02 C ATOM 1434 C GLN A 90 3.235 -6.175 10.675 1.00 63.52 C ATOM 1435 O GLN A 90 4.085 -6.829 10.066 1.00 23.32 O ATOM 1436 CB GLN A 90 1.542 -7.112 12.247 1.00 42.13 C ATOM 1437 CG GLN A 90 1.516 -8.535 11.701 1.00 52.45 C ATOM 1438 CD GLN A 90 0.123 -9.138 11.646 1.00 4.21 C ATOM 1439 OE1 GLN A 90 -0.048 -10.344 11.816 1.00 52.21 O ATOM 1440 NE2 GLN A 90 -0.879 -8.314 11.383 1.00 13.53 N ATOM 0 H GLN A 90 2.654 -4.383 12.348 1.00 34.03 H new ATOM 0 HA GLN A 90 3.647 -7.145 12.561 1.00 64.02 H new ATOM 0 HB2 GLN A 90 1.237 -7.124 13.293 1.00 42.13 H new ATOM 0 HB3 GLN A 90 0.811 -6.509 11.709 1.00 42.13 H new ATOM 0 HG2 GLN A 90 1.945 -8.539 10.699 1.00 52.45 H new ATOM 0 HG3 GLN A 90 2.152 -9.166 12.322 1.00 52.45 H new ATOM 0 HE21 GLN A 90 -0.699 -7.319 11.248 1.00 13.53 H new ATOM 0 HE22 GLN A 90 -1.831 -8.674 11.316 1.00 13.53 H new ATOM 1449 N ASP A 91 2.547 -5.170 10.154 1.00 73.22 N ATOM 1450 CA ASP A 91 2.743 -4.671 8.799 1.00 51.00 C ATOM 1451 C ASP A 91 4.224 -4.470 8.475 1.00 22.42 C ATOM 1452 O ASP A 91 4.714 -4.972 7.460 1.00 31.20 O ATOM 1453 CB ASP A 91 1.963 -3.354 8.609 1.00 0.31 C ATOM 1454 CG ASP A 91 2.196 -2.325 9.718 1.00 71.41 C ATOM 1455 OD1 ASP A 91 2.896 -2.638 10.708 1.00 64.52 O ATOM 1456 OD2 ASP A 91 1.667 -1.201 9.609 1.00 20.03 O ATOM 0 H ASP A 91 1.824 -4.669 10.670 1.00 73.22 H new ATOM 0 HA ASP A 91 2.361 -5.420 8.106 1.00 51.00 H new ATOM 0 HB2 ASP A 91 2.244 -2.912 7.653 1.00 0.31 H new ATOM 0 HB3 ASP A 91 0.898 -3.579 8.555 1.00 0.31 H new ATOM 1461 N LEU A 92 4.936 -3.751 9.340 1.00 72.51 N ATOM 1462 CA LEU A 92 6.357 -3.489 9.127 1.00 1.42 C ATOM 1463 C LEU A 92 7.162 -4.785 9.093 1.00 21.41 C ATOM 1464 O LEU A 92 7.952 -4.992 8.183 1.00 14.41 O ATOM 1465 CB LEU A 92 6.936 -2.552 10.203 1.00 35.42 C ATOM 1466 CG LEU A 92 7.081 -3.149 11.610 1.00 20.41 C ATOM 1467 CD1 LEU A 92 8.132 -2.398 12.409 1.00 65.05 C ATOM 1468 CD2 LEU A 92 5.755 -3.113 12.343 1.00 53.44 C ATOM 0 H LEU A 92 4.554 -3.341 10.192 1.00 72.51 H new ATOM 0 HA LEU A 92 6.439 -2.995 8.159 1.00 1.42 H new ATOM 0 HB2 LEU A 92 7.917 -2.213 9.871 1.00 35.42 H new ATOM 0 HB3 LEU A 92 6.299 -1.670 10.268 1.00 35.42 H new ATOM 0 HG LEU A 92 7.398 -4.186 11.503 1.00 20.41 H new ATOM 0 HD11 LEU A 92 8.217 -2.839 13.402 1.00 65.05 H new ATOM 0 HD12 LEU A 92 9.093 -2.464 11.899 1.00 65.05 H new ATOM 0 HD13 LEU A 92 7.841 -1.352 12.500 1.00 65.05 H new ATOM 0 HD21 LEU A 92 5.878 -3.540 13.338 1.00 53.44 H new ATOM 0 HD22 LEU A 92 5.416 -2.081 12.431 1.00 53.44 H new ATOM 0 HD23 LEU A 92 5.017 -3.692 11.788 1.00 53.44 H new ATOM 1480 N ARG A 93 6.933 -5.662 10.071 1.00 3.14 N ATOM 1481 CA ARG A 93 7.727 -6.884 10.230 1.00 32.12 C ATOM 1482 C ARG A 93 7.767 -7.674 8.931 1.00 32.35 C ATOM 1483 O ARG A 93 8.839 -7.968 8.392 1.00 22.32 O ATOM 1484 CB ARG A 93 7.130 -7.770 11.326 1.00 52.31 C ATOM 1485 CG ARG A 93 6.879 -7.057 12.639 1.00 51.40 C ATOM 1486 CD ARG A 93 5.868 -7.813 13.487 1.00 12.14 C ATOM 1487 NE ARG A 93 6.441 -8.952 14.209 1.00 34.15 N ATOM 1488 CZ ARG A 93 6.058 -10.220 14.029 1.00 73.23 C ATOM 1489 NH1 ARG A 93 5.282 -10.548 13.001 1.00 10.50 N ATOM 1490 NH2 ARG A 93 6.492 -11.169 14.851 1.00 44.43 N ATOM 0 H ARG A 93 6.199 -5.549 10.770 1.00 3.14 H new ATOM 0 HA ARG A 93 8.739 -6.588 10.506 1.00 32.12 H new ATOM 0 HB2 ARG A 93 6.189 -8.187 10.967 1.00 52.31 H new ATOM 0 HB3 ARG A 93 7.803 -8.609 11.505 1.00 52.31 H new ATOM 0 HG2 ARG A 93 7.816 -6.957 13.187 1.00 51.40 H new ATOM 0 HG3 ARG A 93 6.514 -6.048 12.445 1.00 51.40 H new ATOM 0 HD2 ARG A 93 5.423 -7.125 14.206 1.00 12.14 H new ATOM 0 HD3 ARG A 93 5.062 -8.169 12.845 1.00 12.14 H new ATOM 0 HE ARG A 93 7.177 -8.766 14.890 1.00 34.15 H new ATOM 0 HH11 ARG A 93 4.975 -9.830 12.344 1.00 10.50 H new ATOM 0 HH12 ARG A 93 4.993 -11.517 12.869 1.00 10.50 H new ATOM 0 HH21 ARG A 93 7.118 -10.930 15.620 1.00 44.43 H new ATOM 0 HH22 ARG A 93 6.199 -12.136 14.713 1.00 44.43 H new ATOM 1504 N GLU A 94 6.586 -7.989 8.423 1.00 60.01 N ATOM 1505 CA GLU A 94 6.458 -8.852 7.262 1.00 64.12 C ATOM 1506 C GLU A 94 6.983 -8.158 6.005 1.00 20.11 C ATOM 1507 O GLU A 94 7.757 -8.742 5.241 1.00 4.21 O ATOM 1508 CB GLU A 94 4.996 -9.254 7.056 1.00 13.13 C ATOM 1509 CG GLU A 94 4.200 -9.418 8.342 1.00 72.32 C ATOM 1510 CD GLU A 94 4.775 -10.453 9.284 1.00 43.23 C ATOM 1511 OE1 GLU A 94 4.693 -11.660 8.979 1.00 71.20 O ATOM 1512 OE2 GLU A 94 5.294 -10.067 10.349 1.00 51.05 O ATOM 0 H GLU A 94 5.698 -7.657 8.800 1.00 60.01 H new ATOM 0 HA GLU A 94 7.055 -9.746 7.441 1.00 64.12 H new ATOM 0 HB2 GLU A 94 4.509 -8.501 6.436 1.00 13.13 H new ATOM 0 HB3 GLU A 94 4.965 -10.192 6.502 1.00 13.13 H new ATOM 0 HG2 GLU A 94 4.154 -8.458 8.856 1.00 72.32 H new ATOM 0 HG3 GLU A 94 3.176 -9.696 8.092 1.00 72.32 H new ATOM 1519 N SER A 95 6.564 -6.908 5.800 1.00 32.53 N ATOM 1520 CA SER A 95 6.924 -6.157 4.596 1.00 43.33 C ATOM 1521 C SER A 95 8.425 -5.899 4.538 1.00 31.00 C ATOM 1522 O SER A 95 9.039 -5.927 3.468 1.00 50.31 O ATOM 1523 CB SER A 95 6.172 -4.824 4.564 1.00 55.05 C ATOM 1524 OG SER A 95 4.782 -5.018 4.747 1.00 71.54 O ATOM 0 H SER A 95 5.974 -6.393 6.454 1.00 32.53 H new ATOM 0 HA SER A 95 6.643 -6.755 3.729 1.00 43.33 H new ATOM 0 HB2 SER A 95 6.556 -4.167 5.344 1.00 55.05 H new ATOM 0 HB3 SER A 95 6.350 -4.325 3.611 1.00 55.05 H new ATOM 0 HG SER A 95 4.570 -4.981 5.703 1.00 71.54 H new ATOM 1530 N LEU A 96 9.008 -5.656 5.697 1.00 24.52 N ATOM 1531 CA LEU A 96 10.425 -5.370 5.801 1.00 2.31 C ATOM 1532 C LEU A 96 11.258 -6.602 5.471 1.00 24.31 C ATOM 1533 O LEU A 96 12.289 -6.497 4.812 1.00 22.34 O ATOM 1534 CB LEU A 96 10.738 -4.857 7.200 1.00 40.54 C ATOM 1535 CG LEU A 96 10.890 -3.331 7.325 1.00 74.32 C ATOM 1536 CD1 LEU A 96 12.041 -2.835 6.462 1.00 21.41 C ATOM 1537 CD2 LEU A 96 9.599 -2.618 6.943 1.00 12.43 C ATOM 0 H LEU A 96 8.514 -5.651 6.589 1.00 24.52 H new ATOM 0 HA LEU A 96 10.684 -4.599 5.075 1.00 2.31 H new ATOM 0 HB2 LEU A 96 9.945 -5.182 7.874 1.00 40.54 H new ATOM 0 HB3 LEU A 96 11.660 -5.326 7.543 1.00 40.54 H new ATOM 0 HG LEU A 96 11.110 -3.102 8.368 1.00 74.32 H new ATOM 0 HD11 LEU A 96 12.132 -1.754 6.564 1.00 21.41 H new ATOM 0 HD12 LEU A 96 12.968 -3.310 6.784 1.00 21.41 H new ATOM 0 HD13 LEU A 96 11.848 -3.086 5.419 1.00 21.41 H new ATOM 0 HD21 LEU A 96 9.736 -1.541 7.041 1.00 12.43 H new ATOM 0 HD22 LEU A 96 9.342 -2.859 5.912 1.00 12.43 H new ATOM 0 HD23 LEU A 96 8.795 -2.943 7.603 1.00 12.43 H new ATOM 1549 N ARG A 97 10.800 -7.768 5.921 1.00 44.45 N ATOM 1550 CA ARG A 97 11.453 -9.027 5.573 1.00 13.13 C ATOM 1551 C ARG A 97 11.295 -9.317 4.084 1.00 4.41 C ATOM 1552 O ARG A 97 12.227 -9.790 3.430 1.00 12.50 O ATOM 1553 CB ARG A 97 10.870 -10.189 6.386 1.00 41.41 C ATOM 1554 CG ARG A 97 11.348 -10.244 7.829 1.00 0.32 C ATOM 1555 CD ARG A 97 12.850 -10.471 7.908 1.00 55.30 C ATOM 1556 NE ARG A 97 13.270 -10.905 9.241 1.00 52.34 N ATOM 1557 CZ ARG A 97 14.334 -10.426 9.888 1.00 40.51 C ATOM 1558 NH1 ARG A 97 15.063 -9.451 9.361 1.00 22.25 N ATOM 1559 NH2 ARG A 97 14.665 -10.916 11.077 1.00 41.04 N ATOM 0 H ARG A 97 9.984 -7.867 6.524 1.00 44.45 H new ATOM 0 HA ARG A 97 12.513 -8.929 5.809 1.00 13.13 H new ATOM 0 HB2 ARG A 97 9.783 -10.113 6.378 1.00 41.41 H new ATOM 0 HB3 ARG A 97 11.128 -11.127 5.894 1.00 41.41 H new ATOM 0 HG2 ARG A 97 11.092 -9.313 8.334 1.00 0.32 H new ATOM 0 HG3 ARG A 97 10.829 -11.045 8.355 1.00 0.32 H new ATOM 0 HD2 ARG A 97 13.142 -11.222 7.174 1.00 55.30 H new ATOM 0 HD3 ARG A 97 13.370 -9.550 7.646 1.00 55.30 H new ATOM 0 HE ARG A 97 12.712 -11.621 9.706 1.00 52.34 H new ATOM 0 HH11 ARG A 97 14.812 -9.060 8.453 1.00 22.25 H new ATOM 0 HH12 ARG A 97 15.874 -9.092 9.864 1.00 22.25 H new ATOM 0 HH21 ARG A 97 14.106 -11.659 11.496 1.00 41.04 H new ATOM 0 HH22 ARG A 97 15.479 -10.549 11.571 1.00 41.04 H new ATOM 1573 N ALA A 98 10.114 -9.012 3.555 1.00 12.20 N ATOM 1574 CA ALA A 98 9.801 -9.264 2.153 1.00 63.32 C ATOM 1575 C ALA A 98 10.737 -8.496 1.227 1.00 71.31 C ATOM 1576 O ALA A 98 11.426 -9.089 0.399 1.00 21.41 O ATOM 1577 CB ALA A 98 8.354 -8.896 1.861 1.00 22.53 C ATOM 0 H ALA A 98 9.352 -8.586 4.082 1.00 12.20 H new ATOM 0 HA ALA A 98 9.943 -10.328 1.965 1.00 63.32 H new ATOM 0 HB1 ALA A 98 8.134 -9.089 0.811 1.00 22.53 H new ATOM 0 HB2 ALA A 98 7.693 -9.496 2.486 1.00 22.53 H new ATOM 0 HB3 ALA A 98 8.197 -7.839 2.076 1.00 22.53 H new ATOM 1583 N ALA A 99 10.764 -7.179 1.374 1.00 43.10 N ATOM 1584 CA ALA A 99 11.597 -6.345 0.519 1.00 51.04 C ATOM 1585 C ALA A 99 13.048 -6.325 1.003 1.00 34.04 C ATOM 1586 O ALA A 99 13.927 -6.905 0.364 1.00 60.34 O ATOM 1587 CB ALA A 99 11.035 -4.931 0.443 1.00 11.11 C ATOM 0 H ALA A 99 10.223 -6.668 2.072 1.00 43.10 H new ATOM 0 HA ALA A 99 11.588 -6.777 -0.482 1.00 51.04 H new ATOM 0 HB1 ALA A 99 11.670 -4.321 -0.200 1.00 11.11 H new ATOM 0 HB2 ALA A 99 10.026 -4.962 0.032 1.00 11.11 H new ATOM 0 HB3 ALA A 99 11.007 -4.496 1.442 1.00 11.11 H new ATOM 1593 N SER A 100 13.282 -5.645 2.128 1.00 71.04 N ATOM 1594 CA SER A 100 14.616 -5.518 2.739 1.00 74.34 C ATOM 1595 C SER A 100 15.565 -4.616 1.934 1.00 51.14 C ATOM 1596 O SER A 100 16.418 -3.947 2.514 1.00 45.01 O ATOM 1597 CB SER A 100 15.258 -6.894 2.957 1.00 5.13 C ATOM 1598 OG SER A 100 14.502 -7.681 3.868 1.00 1.11 O ATOM 0 H SER A 100 12.549 -5.162 2.647 1.00 71.04 H new ATOM 0 HA SER A 100 14.458 -5.037 3.705 1.00 74.34 H new ATOM 0 HB2 SER A 100 15.338 -7.415 2.003 1.00 5.13 H new ATOM 0 HB3 SER A 100 16.272 -6.768 3.337 1.00 5.13 H new ATOM 0 HG SER A 100 13.733 -7.164 4.188 1.00 1.11 H new ATOM 1604 N LEU A 101 15.399 -4.565 0.612 1.00 43.05 N ATOM 1605 CA LEU A 101 16.316 -3.814 -0.253 1.00 24.44 C ATOM 1606 C LEU A 101 16.099 -2.297 -0.154 1.00 74.33 C ATOM 1607 O LEU A 101 16.395 -1.551 -1.094 1.00 53.45 O ATOM 1608 CB LEU A 101 16.196 -4.274 -1.719 1.00 21.45 C ATOM 1609 CG LEU A 101 14.969 -3.776 -2.498 1.00 54.04 C ATOM 1610 CD1 LEU A 101 15.154 -4.023 -3.988 1.00 75.41 C ATOM 1611 CD2 LEU A 101 13.693 -4.451 -2.017 1.00 24.02 C ATOM 0 H LEU A 101 14.641 -5.033 0.116 1.00 43.05 H new ATOM 0 HA LEU A 101 17.324 -4.026 0.102 1.00 24.44 H new ATOM 0 HB2 LEU A 101 17.091 -3.952 -2.251 1.00 21.45 H new ATOM 0 HB3 LEU A 101 16.190 -5.364 -1.735 1.00 21.45 H new ATOM 0 HG LEU A 101 14.875 -2.705 -2.318 1.00 54.04 H new ATOM 0 HD11 LEU A 101 14.277 -3.665 -4.528 1.00 75.41 H new ATOM 0 HD12 LEU A 101 16.038 -3.490 -4.338 1.00 75.41 H new ATOM 0 HD13 LEU A 101 15.280 -5.091 -4.167 1.00 75.41 H new ATOM 0 HD21 LEU A 101 12.845 -4.075 -2.589 1.00 24.02 H new ATOM 0 HD22 LEU A 101 13.777 -5.529 -2.157 1.00 24.02 H new ATOM 0 HD23 LEU A 101 13.542 -4.233 -0.960 1.00 24.02 H new ATOM 1623 N LEU A 102 15.637 -1.838 1.011 1.00 12.11 N ATOM 1624 CA LEU A 102 15.439 -0.409 1.257 1.00 2.24 C ATOM 1625 C LEU A 102 16.768 0.332 1.252 1.00 14.42 C ATOM 1626 O LEU A 102 16.808 1.556 1.282 1.00 40.13 O ATOM 1627 CB LEU A 102 14.711 -0.176 2.584 1.00 3.13 C ATOM 1628 CG LEU A 102 13.210 -0.468 2.560 1.00 2.41 C ATOM 1629 CD1 LEU A 102 12.604 -0.250 3.935 1.00 32.42 C ATOM 1630 CD2 LEU A 102 12.517 0.412 1.531 1.00 72.03 C ATOM 0 H LEU A 102 15.393 -2.437 1.800 1.00 12.11 H new ATOM 0 HA LEU A 102 14.820 -0.017 0.450 1.00 2.24 H new ATOM 0 HB2 LEU A 102 15.174 -0.799 3.349 1.00 3.13 H new ATOM 0 HB3 LEU A 102 14.859 0.861 2.885 1.00 3.13 H new ATOM 0 HG LEU A 102 13.065 -1.511 2.280 1.00 2.41 H new ATOM 0 HD11 LEU A 102 11.535 -0.462 3.900 1.00 32.42 H new ATOM 0 HD12 LEU A 102 13.083 -0.916 4.653 1.00 32.42 H new ATOM 0 HD13 LEU A 102 12.758 0.785 4.241 1.00 32.42 H new ATOM 0 HD21 LEU A 102 11.449 0.193 1.525 1.00 72.03 H new ATOM 0 HD22 LEU A 102 12.671 1.460 1.786 1.00 72.03 H new ATOM 0 HD23 LEU A 102 12.933 0.214 0.543 1.00 72.03 H new ATOM 1642 N ASP A 103 17.847 -0.429 1.211 1.00 5.54 N ATOM 1643 CA ASP A 103 19.181 0.124 1.070 1.00 74.41 C ATOM 1644 C ASP A 103 19.303 0.924 -0.228 1.00 42.22 C ATOM 1645 O ASP A 103 19.880 2.009 -0.248 1.00 71.34 O ATOM 1646 CB ASP A 103 20.205 -1.017 1.090 1.00 61.31 C ATOM 1647 CG ASP A 103 21.600 -0.568 0.713 1.00 24.40 C ATOM 1648 OD1 ASP A 103 22.316 -0.034 1.587 1.00 44.00 O ATOM 1649 OD2 ASP A 103 21.992 -0.760 -0.456 1.00 52.34 O ATOM 0 H ASP A 103 17.823 -1.447 1.274 1.00 5.54 H new ATOM 0 HA ASP A 103 19.374 0.802 1.901 1.00 74.41 H new ATOM 0 HB2 ASP A 103 20.229 -1.459 2.086 1.00 61.31 H new ATOM 0 HB3 ASP A 103 19.883 -1.799 0.402 1.00 61.31 H new ATOM 1654 N LYS A 104 18.719 0.399 -1.302 1.00 3.14 N ATOM 1655 CA LYS A 104 18.866 1.018 -2.616 1.00 11.32 C ATOM 1656 C LYS A 104 17.603 1.756 -3.054 1.00 1.40 C ATOM 1657 O LYS A 104 17.688 2.775 -3.732 1.00 24.13 O ATOM 1658 CB LYS A 104 19.281 -0.027 -3.654 1.00 51.14 C ATOM 1659 CG LYS A 104 18.415 -1.271 -3.663 1.00 62.14 C ATOM 1660 CD LYS A 104 19.242 -2.533 -3.884 1.00 51.15 C ATOM 1661 CE LYS A 104 20.152 -2.833 -2.694 1.00 65.54 C ATOM 1662 NZ LYS A 104 21.394 -2.006 -2.689 1.00 33.42 N ATOM 0 H LYS A 104 18.146 -0.444 -1.290 1.00 3.14 H new ATOM 0 HA LYS A 104 19.654 1.767 -2.538 1.00 11.32 H new ATOM 0 HB2 LYS A 104 19.253 0.429 -4.644 1.00 51.14 H new ATOM 0 HB3 LYS A 104 20.314 -0.319 -3.467 1.00 51.14 H new ATOM 0 HG2 LYS A 104 17.879 -1.348 -2.717 1.00 62.14 H new ATOM 0 HG3 LYS A 104 17.664 -1.186 -4.448 1.00 62.14 H new ATOM 0 HD2 LYS A 104 18.576 -3.379 -4.054 1.00 51.15 H new ATOM 0 HD3 LYS A 104 19.847 -2.418 -4.784 1.00 51.15 H new ATOM 0 HE2 LYS A 104 19.602 -2.658 -1.769 1.00 65.54 H new ATOM 0 HE3 LYS A 104 20.424 -3.888 -2.708 1.00 65.54 H new ATOM 0 HZ1 LYS A 104 22.203 -2.596 -2.408 1.00 33.42 H new ATOM 0 HZ2 LYS A 104 21.560 -1.623 -3.641 1.00 33.42 H new ATOM 0 HZ3 LYS A 104 21.286 -1.222 -2.014 1.00 33.42 H new ATOM 1676 N ILE A 105 16.429 1.260 -2.677 1.00 32.43 N ATOM 1677 CA ILE A 105 15.196 1.982 -2.990 1.00 52.41 C ATOM 1678 C ILE A 105 15.022 3.166 -2.040 1.00 22.14 C ATOM 1679 O ILE A 105 14.599 4.241 -2.457 1.00 2.24 O ATOM 1680 CB ILE A 105 13.941 1.070 -2.965 1.00 74.33 C ATOM 1681 CG1 ILE A 105 13.938 0.180 -1.725 1.00 65.23 C ATOM 1682 CG2 ILE A 105 13.875 0.229 -4.232 1.00 32.05 C ATOM 1683 CD1 ILE A 105 12.802 -0.816 -1.688 1.00 44.00 C ATOM 0 H ILE A 105 16.303 0.385 -2.168 1.00 32.43 H new ATOM 0 HA ILE A 105 15.292 2.350 -4.012 1.00 52.41 H new ATOM 0 HB ILE A 105 13.056 1.705 -2.923 1.00 74.33 H new ATOM 0 HG12 ILE A 105 14.883 -0.360 -1.675 1.00 65.23 H new ATOM 0 HG13 ILE A 105 13.884 0.811 -0.838 1.00 65.23 H new ATOM 0 HG21 ILE A 105 12.990 -0.406 -4.201 1.00 32.05 H new ATOM 0 HG22 ILE A 105 13.821 0.884 -5.101 1.00 32.05 H new ATOM 0 HG23 ILE A 105 14.767 -0.394 -4.302 1.00 32.05 H new ATOM 0 HD11 ILE A 105 12.869 -1.411 -0.777 1.00 44.00 H new ATOM 0 HD12 ILE A 105 11.851 -0.284 -1.705 1.00 44.00 H new ATOM 0 HD13 ILE A 105 12.866 -1.473 -2.556 1.00 44.00 H new ATOM 1695 N GLY A 106 15.398 2.961 -0.775 1.00 72.01 N ATOM 1696 CA GLY A 106 15.390 4.028 0.218 1.00 73.11 C ATOM 1697 C GLY A 106 14.040 4.690 0.390 1.00 62.13 C ATOM 1698 O GLY A 106 13.209 4.227 1.174 1.00 70.42 O ATOM 0 H GLY A 106 15.713 2.059 -0.417 1.00 72.01 H new ATOM 0 HA2 GLY A 106 15.710 3.622 1.177 1.00 73.11 H new ATOM 0 HA3 GLY A 106 16.121 4.784 -0.068 1.00 73.11 H new ATOM 1702 N GLU A 107 13.830 5.777 -0.341 1.00 32.04 N ATOM 1703 CA GLU A 107 12.573 6.501 -0.306 1.00 4.24 C ATOM 1704 C GLU A 107 11.514 5.726 -1.087 1.00 42.41 C ATOM 1705 O GLU A 107 11.122 6.098 -2.195 1.00 13.33 O ATOM 1706 CB GLU A 107 12.770 7.905 -0.879 1.00 41.32 C ATOM 1707 CG GLU A 107 11.546 8.799 -0.787 1.00 24.53 C ATOM 1708 CD GLU A 107 11.825 10.191 -1.314 1.00 32.32 C ATOM 1709 OE1 GLU A 107 12.110 10.324 -2.524 1.00 72.50 O ATOM 1710 OE2 GLU A 107 11.786 11.149 -0.515 1.00 34.14 O ATOM 0 H GLU A 107 14.525 6.178 -0.971 1.00 32.04 H new ATOM 0 HA GLU A 107 12.232 6.601 0.724 1.00 4.24 H new ATOM 0 HB2 GLU A 107 13.596 8.385 -0.354 1.00 41.32 H new ATOM 0 HB3 GLU A 107 13.064 7.819 -1.925 1.00 41.32 H new ATOM 0 HG2 GLU A 107 10.727 8.354 -1.352 1.00 24.53 H new ATOM 0 HG3 GLU A 107 11.219 8.862 0.251 1.00 24.53 H new ATOM 1717 N ASP A 108 11.101 4.615 -0.504 1.00 41.33 N ATOM 1718 CA ASP A 108 10.137 3.720 -1.123 1.00 21.14 C ATOM 1719 C ASP A 108 8.901 3.577 -0.247 1.00 44.42 C ATOM 1720 O ASP A 108 7.810 4.009 -0.617 1.00 21.41 O ATOM 1721 CB ASP A 108 10.787 2.355 -1.369 1.00 21.13 C ATOM 1722 CG ASP A 108 9.781 1.263 -1.668 1.00 2.34 C ATOM 1723 OD1 ASP A 108 9.205 1.252 -2.774 1.00 13.03 O ATOM 1724 OD2 ASP A 108 9.564 0.399 -0.792 1.00 13.01 O ATOM 0 H ASP A 108 11.424 4.307 0.413 1.00 41.33 H new ATOM 0 HA ASP A 108 9.824 4.140 -2.079 1.00 21.14 H new ATOM 0 HB2 ASP A 108 11.484 2.436 -2.203 1.00 21.13 H new ATOM 0 HB3 ASP A 108 11.370 2.074 -0.492 1.00 21.13 H new ATOM 1729 N HIS A 109 9.072 2.983 0.926 1.00 22.30 N ATOM 1730 CA HIS A 109 7.963 2.833 1.852 1.00 1.31 C ATOM 1731 C HIS A 109 8.448 2.953 3.296 1.00 13.31 C ATOM 1732 O HIS A 109 9.441 2.342 3.687 1.00 53.34 O ATOM 1733 CB HIS A 109 7.195 1.519 1.585 1.00 3.30 C ATOM 1734 CG HIS A 109 7.866 0.237 2.005 1.00 21.34 C ATOM 1735 ND1 HIS A 109 9.172 -0.096 2.131 1.00 12.51 N flip ATOM 1736 CD2 HIS A 109 7.158 -0.910 2.298 1.00 72.41 C flip ATOM 1737 CE1 HIS A 109 9.228 -1.419 2.493 1.00 52.14 C flip ATOM 1738 NE2 HIS A 109 7.996 -1.884 2.589 1.00 21.44 N flip ATOM 0 H HIS A 109 9.959 2.601 1.255 1.00 22.30 H new ATOM 0 HA HIS A 109 7.254 3.645 1.688 1.00 1.31 H new ATOM 0 HB2 HIS A 109 6.233 1.580 2.093 1.00 3.30 H new ATOM 0 HB3 HIS A 109 6.988 1.459 0.517 1.00 3.30 H new ATOM 0 HD2 HIS A 109 6.081 -0.996 2.290 1.00 72.41 H new ATOM 0 HE1 HIS A 109 10.130 -1.986 2.670 1.00 52.14 H new ATOM 0 HE2 HIS A 109 7.737 -2.837 2.845 1.00 21.44 H new ATOM 1747 N ILE A 110 7.744 3.768 4.071 1.00 24.03 N ATOM 1748 CA ILE A 110 8.167 4.117 5.426 1.00 62.11 C ATOM 1749 C ILE A 110 7.021 3.891 6.413 1.00 64.53 C ATOM 1750 O ILE A 110 6.218 2.989 6.215 1.00 35.30 O ATOM 1751 CB ILE A 110 8.661 5.588 5.517 1.00 23.21 C ATOM 1752 CG1 ILE A 110 7.541 6.594 5.200 1.00 1.41 C ATOM 1753 CG2 ILE A 110 9.858 5.807 4.600 1.00 64.41 C ATOM 1754 CD1 ILE A 110 7.226 6.766 3.728 1.00 45.55 C ATOM 0 H ILE A 110 6.868 4.205 3.783 1.00 24.03 H new ATOM 0 HA ILE A 110 9.003 3.468 5.685 1.00 62.11 H new ATOM 0 HB ILE A 110 8.970 5.765 6.547 1.00 23.21 H new ATOM 0 HG12 ILE A 110 6.634 6.277 5.715 1.00 1.41 H new ATOM 0 HG13 ILE A 110 7.819 7.564 5.611 1.00 1.41 H new ATOM 0 HG21 ILE A 110 10.190 6.842 4.677 1.00 64.41 H new ATOM 0 HG22 ILE A 110 10.670 5.142 4.896 1.00 64.41 H new ATOM 0 HG23 ILE A 110 9.571 5.593 3.570 1.00 64.41 H new ATOM 0 HD11 ILE A 110 6.424 7.495 3.610 1.00 45.55 H new ATOM 0 HD12 ILE A 110 8.115 7.117 3.204 1.00 45.55 H new ATOM 0 HD13 ILE A 110 6.912 5.810 3.309 1.00 45.55 H new ATOM 1766 N PHE A 111 6.957 4.685 7.481 1.00 52.13 N ATOM 1767 CA PHE A 111 5.872 4.572 8.453 1.00 4.40 C ATOM 1768 C PHE A 111 4.868 5.723 8.334 1.00 65.24 C ATOM 1769 O PHE A 111 4.944 6.538 7.413 1.00 70.50 O ATOM 1770 CB PHE A 111 6.427 4.530 9.877 1.00 2.43 C ATOM 1771 CG PHE A 111 6.924 3.177 10.294 1.00 55.43 C ATOM 1772 CD1 PHE A 111 8.225 2.786 10.030 1.00 54.45 C ATOM 1773 CD2 PHE A 111 6.080 2.296 10.953 1.00 53.23 C ATOM 1774 CE1 PHE A 111 8.677 1.541 10.416 1.00 65.31 C ATOM 1775 CE2 PHE A 111 6.527 1.051 11.341 1.00 55.44 C ATOM 1776 CZ PHE A 111 7.828 0.674 11.072 1.00 3.22 C ATOM 0 H PHE A 111 7.641 5.411 7.694 1.00 52.13 H new ATOM 0 HA PHE A 111 5.349 3.641 8.234 1.00 4.40 H new ATOM 0 HB2 PHE A 111 7.243 5.248 9.960 1.00 2.43 H new ATOM 0 HB3 PHE A 111 5.649 4.850 10.570 1.00 2.43 H new ATOM 0 HD1 PHE A 111 8.893 3.462 9.517 1.00 54.45 H new ATOM 0 HD2 PHE A 111 5.062 2.588 11.164 1.00 53.23 H new ATOM 0 HE1 PHE A 111 9.694 1.246 10.205 1.00 65.31 H new ATOM 0 HE2 PHE A 111 5.862 0.372 11.854 1.00 55.44 H new ATOM 0 HZ PHE A 111 8.181 -0.300 11.375 1.00 3.22 H new ATOM 1786 N MET A 112 3.914 5.736 9.268 1.00 44.14 N ATOM 1787 CA MET A 112 2.880 6.770 9.369 1.00 52.05 C ATOM 1788 C MET A 112 3.474 8.176 9.275 1.00 33.53 C ATOM 1789 O MET A 112 4.092 8.661 10.224 1.00 13.34 O ATOM 1790 CB MET A 112 2.136 6.604 10.703 1.00 51.15 C ATOM 1791 CG MET A 112 0.967 7.564 10.923 1.00 4.22 C ATOM 1792 SD MET A 112 -0.518 7.119 9.992 1.00 20.13 S ATOM 1793 CE MET A 112 -0.224 7.958 8.442 1.00 72.22 C ATOM 0 H MET A 112 3.837 5.017 9.987 1.00 44.14 H new ATOM 0 HA MET A 112 2.190 6.650 8.534 1.00 52.05 H new ATOM 0 HB2 MET A 112 1.762 5.582 10.767 1.00 51.15 H new ATOM 0 HB3 MET A 112 2.850 6.734 11.517 1.00 51.15 H new ATOM 0 HG2 MET A 112 0.725 7.592 11.985 1.00 4.22 H new ATOM 0 HG3 MET A 112 1.276 8.570 10.640 1.00 4.22 H new ATOM 0 HE1 MET A 112 -0.639 7.368 7.625 1.00 72.22 H new ATOM 0 HE2 MET A 112 -0.702 8.937 8.462 1.00 72.22 H new ATOM 0 HE3 MET A 112 0.849 8.081 8.293 1.00 72.22 H new ATOM 1803 N THR A 113 3.276 8.814 8.125 1.00 74.25 N ATOM 1804 CA THR A 113 3.800 10.156 7.876 1.00 0.23 C ATOM 1805 C THR A 113 3.621 10.567 6.410 1.00 65.24 C ATOM 1806 O THR A 113 3.689 11.751 6.082 1.00 1.33 O ATOM 1807 CB THR A 113 5.302 10.267 8.242 1.00 11.01 C ATOM 1808 OG1 THR A 113 5.717 11.641 8.224 1.00 72.35 O ATOM 1809 CG2 THR A 113 6.165 9.462 7.280 1.00 53.10 C ATOM 0 H THR A 113 2.752 8.420 7.344 1.00 74.25 H new ATOM 0 HA THR A 113 3.226 10.828 8.515 1.00 0.23 H new ATOM 0 HB THR A 113 5.431 9.860 9.245 1.00 11.01 H new ATOM 0 HG1 THR A 113 5.158 12.143 7.596 1.00 72.35 H new ATOM 0 HG21 THR A 113 7.213 9.560 7.563 1.00 53.10 H new ATOM 0 HG22 THR A 113 5.874 8.412 7.322 1.00 53.10 H new ATOM 0 HG23 THR A 113 6.026 9.837 6.266 1.00 53.10 H new ATOM 1817 N LEU A 114 3.396 9.583 5.532 1.00 13.54 N ATOM 1818 CA LEU A 114 3.287 9.826 4.091 1.00 34.53 C ATOM 1819 C LEU A 114 2.291 10.945 3.739 1.00 73.55 C ATOM 1820 O LEU A 114 2.643 11.837 2.969 1.00 33.54 O ATOM 1821 CB LEU A 114 2.902 8.537 3.364 1.00 62.43 C ATOM 1822 CG LEU A 114 3.131 8.550 1.851 1.00 30.15 C ATOM 1823 CD1 LEU A 114 4.617 8.615 1.537 1.00 11.13 C ATOM 1824 CD2 LEU A 114 2.494 7.331 1.210 1.00 3.02 C ATOM 0 H LEU A 114 3.285 8.605 5.798 1.00 13.54 H new ATOM 0 HA LEU A 114 4.269 10.161 3.758 1.00 34.53 H new ATOM 0 HB2 LEU A 114 3.470 7.712 3.794 1.00 62.43 H new ATOM 0 HB3 LEU A 114 1.849 8.332 3.554 1.00 62.43 H new ATOM 0 HG LEU A 114 2.659 9.440 1.435 1.00 30.15 H new ATOM 0 HD11 LEU A 114 4.761 8.623 0.457 1.00 11.13 H new ATOM 0 HD12 LEU A 114 5.040 9.523 1.966 1.00 11.13 H new ATOM 0 HD13 LEU A 114 5.117 7.745 1.963 1.00 11.13 H new ATOM 0 HD21 LEU A 114 2.665 7.354 0.134 1.00 3.02 H new ATOM 0 HD22 LEU A 114 2.936 6.427 1.628 1.00 3.02 H new ATOM 0 HD23 LEU A 114 1.422 7.335 1.407 1.00 3.02 H new ATOM 1836 N PRO A 115 1.043 10.925 4.276 1.00 50.54 N ATOM 1837 CA PRO A 115 0.031 11.959 3.973 1.00 13.35 C ATOM 1838 C PRO A 115 0.555 13.390 4.105 1.00 73.43 C ATOM 1839 O PRO A 115 0.297 14.232 3.247 1.00 63.21 O ATOM 1840 CB PRO A 115 -1.065 11.699 5.008 1.00 44.02 C ATOM 1841 CG PRO A 115 -0.990 10.240 5.262 1.00 31.23 C ATOM 1842 CD PRO A 115 0.495 9.891 5.181 1.00 44.33 C ATOM 0 HA PRO A 115 -0.301 11.888 2.937 1.00 13.35 H new ATOM 0 HB2 PRO A 115 -0.895 12.271 5.920 1.00 44.02 H new ATOM 0 HB3 PRO A 115 -2.046 11.987 4.630 1.00 44.02 H new ATOM 0 HG2 PRO A 115 -1.400 9.990 6.241 1.00 31.23 H new ATOM 0 HG3 PRO A 115 -1.566 9.682 4.523 1.00 31.23 H new ATOM 0 HD2 PRO A 115 0.969 9.924 6.162 1.00 44.33 H new ATOM 0 HD3 PRO A 115 0.651 8.887 4.785 1.00 44.33 H new ATOM 1850 N THR A 116 1.292 13.670 5.170 1.00 63.21 N ATOM 1851 CA THR A 116 1.823 15.010 5.378 1.00 60.23 C ATOM 1852 C THR A 116 3.134 15.194 4.616 1.00 23.12 C ATOM 1853 O THR A 116 3.478 16.304 4.206 1.00 45.42 O ATOM 1854 CB THR A 116 2.027 15.318 6.882 1.00 22.15 C ATOM 1855 OG1 THR A 116 2.297 16.712 7.072 1.00 74.24 O ATOM 1856 CG2 THR A 116 3.163 14.497 7.476 1.00 64.24 C ATOM 0 H THR A 116 1.534 12.996 5.896 1.00 63.21 H new ATOM 0 HA THR A 116 1.088 15.716 4.991 1.00 60.23 H new ATOM 0 HB THR A 116 1.105 15.048 7.397 1.00 22.15 H new ATOM 0 HG1 THR A 116 2.422 16.894 8.027 1.00 74.24 H new ATOM 0 HG21 THR A 116 3.275 14.741 8.532 1.00 64.24 H new ATOM 0 HG22 THR A 116 2.938 13.436 7.371 1.00 64.24 H new ATOM 0 HG23 THR A 116 4.090 14.725 6.951 1.00 64.24 H new ATOM 1864 N ALA A 117 3.846 14.093 4.399 1.00 0.31 N ATOM 1865 CA ALA A 117 5.109 14.128 3.679 1.00 42.23 C ATOM 1866 C ALA A 117 4.886 14.537 2.230 1.00 23.40 C ATOM 1867 O ALA A 117 5.522 15.467 1.734 1.00 20.43 O ATOM 1868 CB ALA A 117 5.800 12.773 3.753 1.00 11.44 C ATOM 0 H ALA A 117 3.567 13.164 4.714 1.00 0.31 H new ATOM 0 HA ALA A 117 5.755 14.870 4.149 1.00 42.23 H new ATOM 0 HB1 ALA A 117 6.744 12.816 3.209 1.00 11.44 H new ATOM 0 HB2 ALA A 117 5.993 12.519 4.795 1.00 11.44 H new ATOM 0 HB3 ALA A 117 5.159 12.013 3.307 1.00 11.44 H new ATOM 1874 N VAL A 118 3.957 13.859 1.563 1.00 23.31 N ATOM 1875 CA VAL A 118 3.667 14.148 0.164 1.00 22.54 C ATOM 1876 C VAL A 118 3.222 15.598 -0.008 1.00 34.22 C ATOM 1877 O VAL A 118 3.561 16.240 -0.996 1.00 30.04 O ATOM 1878 CB VAL A 118 2.599 13.194 -0.424 1.00 72.51 C ATOM 1879 CG1 VAL A 118 3.105 11.758 -0.416 1.00 64.52 C ATOM 1880 CG2 VAL A 118 1.280 13.297 0.330 1.00 41.21 C ATOM 0 H VAL A 118 3.395 13.110 1.967 1.00 23.31 H new ATOM 0 HA VAL A 118 4.593 13.988 -0.389 1.00 22.54 H new ATOM 0 HB VAL A 118 2.416 13.498 -1.455 1.00 72.51 H new ATOM 0 HG11 VAL A 118 2.342 11.101 -0.833 1.00 64.52 H new ATOM 0 HG12 VAL A 118 4.011 11.688 -1.017 1.00 64.52 H new ATOM 0 HG13 VAL A 118 3.325 11.455 0.608 1.00 64.52 H new ATOM 0 HG21 VAL A 118 0.555 12.613 -0.111 1.00 41.21 H new ATOM 0 HG22 VAL A 118 1.437 13.034 1.376 1.00 41.21 H new ATOM 0 HG23 VAL A 118 0.903 14.318 0.265 1.00 41.21 H new ATOM 1890 N GLN A 119 2.501 16.117 0.978 1.00 72.44 N ATOM 1891 CA GLN A 119 2.077 17.510 0.966 1.00 24.30 C ATOM 1892 C GLN A 119 3.298 18.426 0.978 1.00 62.31 C ATOM 1893 O GLN A 119 3.426 19.326 0.143 1.00 42.20 O ATOM 1894 CB GLN A 119 1.191 17.803 2.180 1.00 53.20 C ATOM 1895 CG GLN A 119 0.619 19.213 2.192 1.00 20.45 C ATOM 1896 CD GLN A 119 -0.147 19.538 3.461 1.00 2.51 C ATOM 1897 OE1 GLN A 119 0.286 18.988 4.585 1.00 0.23 O flip ATOM 1898 NE2 GLN A 119 -1.112 20.304 3.436 1.00 60.31 N flip ATOM 0 H GLN A 119 2.197 15.592 1.798 1.00 72.44 H new ATOM 0 HA GLN A 119 1.502 17.695 0.059 1.00 24.30 H new ATOM 0 HB2 GLN A 119 0.370 17.087 2.201 1.00 53.20 H new ATOM 0 HB3 GLN A 119 1.772 17.648 3.089 1.00 53.20 H new ATOM 0 HG2 GLN A 119 1.432 19.929 2.073 1.00 20.45 H new ATOM 0 HG3 GLN A 119 -0.042 19.337 1.335 1.00 20.45 H new ATOM 0 HE21 GLN A 119 -1.418 20.710 2.552 1.00 60.31 H new ATOM 0 HE22 GLN A 119 -1.604 20.532 4.300 1.00 60.31 H new ATOM 1907 N ALA A 120 4.208 18.161 1.908 1.00 60.32 N ATOM 1908 CA ALA A 120 5.408 18.970 2.072 1.00 54.33 C ATOM 1909 C ALA A 120 6.383 18.780 0.912 1.00 11.43 C ATOM 1910 O ALA A 120 7.374 19.500 0.798 1.00 31.10 O ATOM 1911 CB ALA A 120 6.088 18.636 3.390 1.00 43.33 C ATOM 0 H ALA A 120 4.135 17.384 2.565 1.00 60.32 H new ATOM 0 HA ALA A 120 5.103 20.017 2.078 1.00 54.33 H new ATOM 0 HB1 ALA A 120 6.984 19.247 3.502 1.00 43.33 H new ATOM 0 HB2 ALA A 120 5.404 18.840 4.214 1.00 43.33 H new ATOM 0 HB3 ALA A 120 6.364 17.582 3.400 1.00 43.33 H new ATOM 1917 N PHE A 121 6.122 17.795 0.065 1.00 61.31 N ATOM 1918 CA PHE A 121 6.946 17.584 -1.119 1.00 54.20 C ATOM 1919 C PHE A 121 6.258 18.089 -2.388 1.00 2.25 C ATOM 1920 O PHE A 121 6.914 18.329 -3.401 1.00 24.14 O ATOM 1921 CB PHE A 121 7.316 16.107 -1.267 1.00 71.33 C ATOM 1922 CG PHE A 121 8.262 15.621 -0.205 1.00 14.03 C ATOM 1923 CD1 PHE A 121 9.377 16.371 0.136 1.00 3.53 C ATOM 1924 CD2 PHE A 121 8.045 14.416 0.446 1.00 61.13 C ATOM 1925 CE1 PHE A 121 10.254 15.932 1.107 1.00 40.22 C ATOM 1926 CE2 PHE A 121 8.920 13.973 1.419 1.00 63.43 C ATOM 1927 CZ PHE A 121 10.026 14.731 1.749 1.00 53.10 C ATOM 0 H PHE A 121 5.353 17.134 0.173 1.00 61.31 H new ATOM 0 HA PHE A 121 7.859 18.163 -0.984 1.00 54.20 H new ATOM 0 HB2 PHE A 121 6.407 15.507 -1.236 1.00 71.33 H new ATOM 0 HB3 PHE A 121 7.768 15.949 -2.246 1.00 71.33 H new ATOM 0 HD1 PHE A 121 9.562 17.310 -0.364 1.00 3.53 H new ATOM 0 HD2 PHE A 121 7.183 13.818 0.190 1.00 61.13 H new ATOM 0 HE1 PHE A 121 11.118 16.527 1.364 1.00 40.22 H new ATOM 0 HE2 PHE A 121 8.739 13.034 1.921 1.00 63.43 H new ATOM 0 HZ PHE A 121 10.712 14.385 2.508 1.00 53.10 H new ATOM 1937 N ARG A 122 4.944 18.266 -2.334 1.00 50.43 N ATOM 1938 CA ARG A 122 4.195 18.731 -3.497 1.00 31.11 C ATOM 1939 C ARG A 122 4.274 20.247 -3.653 1.00 21.01 C ATOM 1940 O ARG A 122 4.330 20.751 -4.772 1.00 51.41 O ATOM 1941 CB ARG A 122 2.735 18.275 -3.429 1.00 54.01 C ATOM 1942 CG ARG A 122 2.523 16.821 -3.846 1.00 32.43 C ATOM 1943 CD ARG A 122 2.434 16.658 -5.365 1.00 75.13 C ATOM 1944 NE ARG A 122 3.539 17.307 -6.074 1.00 2.52 N ATOM 1945 CZ ARG A 122 4.361 16.684 -6.924 1.00 22.31 C ATOM 1946 NH1 ARG A 122 4.215 15.389 -7.182 1.00 23.43 N ATOM 1947 NH2 ARG A 122 5.321 17.370 -7.532 1.00 74.42 N ATOM 0 H ARG A 122 4.377 18.096 -1.503 1.00 50.43 H new ATOM 0 HA ARG A 122 4.657 18.283 -4.376 1.00 31.11 H new ATOM 0 HB2 ARG A 122 2.370 18.408 -2.411 1.00 54.01 H new ATOM 0 HB3 ARG A 122 2.133 18.919 -4.070 1.00 54.01 H new ATOM 0 HG2 ARG A 122 3.344 16.213 -3.465 1.00 32.43 H new ATOM 0 HG3 ARG A 122 1.608 16.444 -3.388 1.00 32.43 H new ATOM 0 HD2 ARG A 122 2.425 15.596 -5.611 1.00 75.13 H new ATOM 0 HD3 ARG A 122 1.490 17.075 -5.715 1.00 75.13 H new ATOM 0 HE ARG A 122 3.692 18.302 -5.908 1.00 2.52 H new ATOM 0 HH11 ARG A 122 3.470 14.860 -6.730 1.00 23.43 H new ATOM 0 HH12 ARG A 122 4.848 14.924 -7.833 1.00 23.43 H new ATOM 0 HH21 ARG A 122 5.429 18.368 -7.350 1.00 74.42 H new ATOM 0 HH22 ARG A 122 5.951 16.899 -8.182 1.00 74.42 H new ATOM 1961 N ARG A 123 4.284 20.980 -2.542 1.00 64.22 N ATOM 1962 CA ARG A 123 4.402 22.436 -2.617 1.00 23.51 C ATOM 1963 C ARG A 123 5.535 22.933 -1.724 1.00 30.31 C ATOM 1964 O ARG A 123 5.699 24.138 -1.524 1.00 31.31 O ATOM 1965 CB ARG A 123 3.064 23.115 -2.265 1.00 62.01 C ATOM 1966 CG ARG A 123 2.869 23.514 -0.802 1.00 33.54 C ATOM 1967 CD ARG A 123 2.898 22.329 0.150 1.00 1.22 C ATOM 1968 NE ARG A 123 2.131 22.599 1.366 1.00 20.10 N ATOM 1969 CZ ARG A 123 2.568 22.369 2.606 1.00 1.23 C ATOM 1970 NH1 ARG A 123 3.821 21.991 2.833 1.00 41.40 N ATOM 1971 NH2 ARG A 123 1.753 22.560 3.633 1.00 14.24 N ATOM 0 H ARG A 123 4.214 20.601 -1.598 1.00 64.22 H new ATOM 0 HA ARG A 123 4.647 22.708 -3.644 1.00 23.51 H new ATOM 0 HB2 ARG A 123 2.963 24.009 -2.880 1.00 62.01 H new ATOM 0 HB3 ARG A 123 2.255 22.441 -2.546 1.00 62.01 H new ATOM 0 HG2 ARG A 123 3.649 24.220 -0.517 1.00 33.54 H new ATOM 0 HG3 ARG A 123 1.916 24.033 -0.697 1.00 33.54 H new ATOM 0 HD2 ARG A 123 2.492 21.450 -0.350 1.00 1.22 H new ATOM 0 HD3 ARG A 123 3.930 22.098 0.413 1.00 1.22 H new ATOM 0 HE ARG A 123 1.195 22.991 1.259 1.00 20.10 H new ATOM 0 HH11 ARG A 123 4.467 21.872 2.053 1.00 41.40 H new ATOM 0 HH12 ARG A 123 4.137 21.820 3.788 1.00 41.40 H new ATOM 0 HH21 ARG A 123 0.798 22.881 3.473 1.00 14.24 H new ATOM 0 HH22 ARG A 123 2.081 22.386 4.583 1.00 14.24 H new ATOM 1985 N ARG A 124 6.332 21.987 -1.235 1.00 13.11 N ATOM 1986 CA ARG A 124 7.415 22.270 -0.297 1.00 70.04 C ATOM 1987 C ARG A 124 6.863 22.872 0.992 1.00 50.55 C ATOM 1988 O ARG A 124 6.262 22.120 1.783 1.00 71.15 O ATOM 1989 CB ARG A 124 8.464 23.201 -0.921 1.00 1.10 C ATOM 1990 CG ARG A 124 9.242 22.574 -2.067 1.00 42.31 C ATOM 1991 CD ARG A 124 9.982 21.323 -1.622 1.00 24.14 C ATOM 1992 NE ARG A 124 10.836 21.574 -0.464 1.00 25.10 N ATOM 1993 CZ ARG A 124 11.526 20.632 0.177 1.00 25.23 C ATOM 1994 NH1 ARG A 124 11.535 19.379 -0.268 1.00 11.14 N ATOM 1995 NH2 ARG A 124 12.223 20.942 1.260 1.00 4.41 N ATOM 0 H ARG A 124 6.245 21.000 -1.478 1.00 13.11 H new ATOM 0 HA ARG A 124 7.906 21.326 -0.058 1.00 70.04 H new ATOM 0 HB2 ARG A 124 7.967 24.101 -1.282 1.00 1.10 H new ATOM 0 HB3 ARG A 124 9.165 23.513 -0.147 1.00 1.10 H new ATOM 0 HG2 ARG A 124 8.558 22.324 -2.878 1.00 42.31 H new ATOM 0 HG3 ARG A 124 9.955 23.298 -2.463 1.00 42.31 H new ATOM 0 HD2 ARG A 124 9.261 20.543 -1.378 1.00 24.14 H new ATOM 0 HD3 ARG A 124 10.590 20.949 -2.446 1.00 24.14 H new ATOM 0 HE ARG A 124 10.909 22.533 -0.124 1.00 25.10 H new ATOM 0 HH11 ARG A 124 11.010 19.132 -1.107 1.00 11.14 H new ATOM 0 HH12 ARG A 124 12.066 18.665 0.230 1.00 11.14 H new ATOM 0 HH21 ARG A 124 12.231 21.902 1.603 1.00 4.41 H new ATOM 0 HH22 ARG A 124 12.751 20.220 1.750 1.00 4.41 H new