USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 57 HIS : no HD1:sc= -7.94! C(o=-6.9!,f=-13!) USER MOD Set 1.2: A 74 SER OG : rot -159:sc= 0.578 USER MOD Set 1.3: A 78 THR OG1 : rot 34:sc= 0.478 USER MOD Single : A 10 THR OG1 : rot 36:sc= -0.586 USER MOD Single : A 12 SER OG : rot -75:sc= 0.164 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.58 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00903 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 64:sc= 1.06 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0204 X(o=-0.02,f=-0.0028) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.673 F(o=-1.8!,f=-0.67) USER MOD Single : A 81 ASN : amide:sc= -0.121 K(o=-0.12,f=-3.5!) USER MOD Single : A 82 SER OG : rot 31:sc= 0.035 USER MOD Single : A 83 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.77) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 90 SER OG : rot 24:sc= 0.245 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 89:sc= 0.658 USER MOD Single : A 106 SER OG : rot 180:sc= -0.61 USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0959 F(o=-1.3,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 10 -11.392 -10.721 -3.121 1.00 0.00 N ATOM 100 CA THR A 10 -10.188 -10.004 -2.735 1.00 0.00 C ATOM 101 C THR A 10 -10.549 -8.667 -2.086 1.00 0.00 C ATOM 102 O THR A 10 -11.264 -7.858 -2.676 1.00 0.00 O ATOM 103 CB THR A 10 -9.306 -9.858 -3.977 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.163 -11.191 -4.460 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.878 -9.430 -3.634 1.00 0.00 C ATOM 0 HA THR A 10 -9.625 -10.554 -1.981 1.00 0.00 H new ATOM 0 HB THR A 10 -9.750 -9.128 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.997 -11.684 -4.312 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.295 -9.341 -4.551 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.899 -8.468 -3.123 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.421 -10.176 -2.984 1.00 0.00 H new ATOM 113 N PRO A 11 -10.025 -8.470 -0.846 1.00 0.00 N ATOM 114 CA PRO A 11 -10.285 -7.245 -0.110 1.00 0.00 C ATOM 115 C PRO A 11 -9.470 -6.081 -0.677 1.00 0.00 C ATOM 116 O PRO A 11 -8.372 -6.281 -1.195 1.00 0.00 O ATOM 117 CB PRO A 11 -9.931 -7.570 1.332 1.00 0.00 C ATOM 118 CG PRO A 11 -9.052 -8.809 1.277 1.00 0.00 C ATOM 119 CD PRO A 11 -9.175 -9.405 -0.116 1.00 0.00 C ATOM 0 HA PRO A 11 -11.322 -6.920 -0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.405 -6.739 1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.829 -7.754 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.015 -8.551 1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.364 -9.532 2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.199 -9.506 -0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.618 -10.400 -0.083 1.00 0.00 H new ATOM 127 N SER A 12 -10.038 -4.890 -0.561 1.00 0.00 N ATOM 128 CA SER A 12 -9.378 -3.694 -1.056 1.00 0.00 C ATOM 129 C SER A 12 -8.169 -3.363 -0.179 1.00 0.00 C ATOM 130 O SER A 12 -8.202 -3.568 1.034 1.00 0.00 O ATOM 131 CB SER A 12 -10.344 -2.508 -1.096 1.00 0.00 C ATOM 132 OG SER A 12 -10.976 -2.378 -2.367 1.00 0.00 O ATOM 0 H SER A 12 -10.949 -4.727 -0.131 1.00 0.00 H new ATOM 0 HA SER A 12 -9.039 -3.887 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.104 -2.633 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.802 -1.591 -0.865 1.00 0.00 H new ATOM 0 HG SER A 12 -10.337 -2.015 -3.015 1.00 0.00 H new ATOM 138 N LEU A 13 -7.129 -2.856 -0.826 1.00 0.00 N ATOM 139 CA LEU A 13 -5.912 -2.495 -0.120 1.00 0.00 C ATOM 140 C LEU A 13 -5.989 -1.026 0.302 1.00 0.00 C ATOM 141 O LEU A 13 -5.940 -0.131 -0.541 1.00 0.00 O ATOM 142 CB LEU A 13 -4.682 -2.828 -0.968 1.00 0.00 C ATOM 143 CG LEU A 13 -3.379 -3.055 -0.200 1.00 0.00 C ATOM 144 CD1 LEU A 13 -2.495 -1.808 -0.238 1.00 0.00 C ATOM 145 CD2 LEU A 13 -3.660 -3.514 1.233 1.00 0.00 C ATOM 0 H LEU A 13 -7.105 -2.687 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.811 -3.084 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.898 -3.724 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.525 -2.017 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.828 -3.856 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.575 -1.997 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.252 -1.565 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.026 -0.971 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.717 -3.668 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.243 -2.753 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.221 -4.449 1.212 1.00 0.00 H new ATOM 157 N ARG A 14 -6.108 -0.824 1.606 1.00 0.00 N ATOM 158 CA ARG A 14 -6.193 0.521 2.150 1.00 0.00 C ATOM 159 C ARG A 14 -4.983 0.810 3.040 1.00 0.00 C ATOM 160 O ARG A 14 -4.877 0.274 4.143 1.00 0.00 O ATOM 161 CB ARG A 14 -7.474 0.705 2.966 1.00 0.00 C ATOM 162 CG ARG A 14 -7.646 2.164 3.393 1.00 0.00 C ATOM 163 CD ARG A 14 -8.485 2.267 4.668 1.00 0.00 C ATOM 164 NE ARG A 14 -9.563 3.265 4.486 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.680 3.307 5.224 1.00 0.00 C ATOM 166 NH1 ARG A 14 -10.874 2.408 6.199 1.00 0.00 N ATOM 167 NH2 ARG A 14 -11.604 4.248 4.988 1.00 0.00 N ATOM 0 H ARG A 14 -6.148 -1.569 2.302 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.207 1.218 1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.334 0.391 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.443 0.065 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.668 2.616 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.125 2.727 2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.915 1.295 4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.852 2.553 5.508 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.448 3.965 3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.171 1.691 6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.725 2.440 6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.457 4.933 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.455 4.280 5.550 1.00 0.00 H new ATOM 181 N LEU A 15 -4.101 1.656 2.530 1.00 0.00 N ATOM 182 CA LEU A 15 -2.902 2.023 3.265 1.00 0.00 C ATOM 183 C LEU A 15 -3.198 3.246 4.136 1.00 0.00 C ATOM 184 O LEU A 15 -3.603 4.290 3.628 1.00 0.00 O ATOM 185 CB LEU A 15 -1.725 2.220 2.308 1.00 0.00 C ATOM 186 CG LEU A 15 -1.272 0.977 1.538 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.458 1.365 0.302 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.506 0.016 2.450 1.00 0.00 C ATOM 0 H LEU A 15 -4.192 2.099 1.616 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.605 1.217 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.994 2.992 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.877 2.598 2.879 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.159 0.450 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.148 0.464 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.069 1.981 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.424 1.927 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.196 -0.859 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.374 0.519 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.150 -0.298 3.271 1.00 0.00 H new ATOM 200 N VAL A 16 -2.984 3.075 5.432 1.00 0.00 N ATOM 201 CA VAL A 16 -3.222 4.151 6.378 1.00 0.00 C ATOM 202 C VAL A 16 -1.889 4.598 6.982 1.00 0.00 C ATOM 203 O VAL A 16 -1.148 3.784 7.530 1.00 0.00 O ATOM 204 CB VAL A 16 -4.237 3.706 7.433 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.511 4.827 8.438 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.534 3.227 6.778 1.00 0.00 C ATOM 0 H VAL A 16 -2.648 2.207 5.849 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.656 5.014 5.873 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.807 2.866 7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.236 4.484 9.177 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.583 5.101 8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.910 5.696 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.238 2.916 7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.969 4.039 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.320 2.384 6.121 1.00 0.00 H new ATOM 216 N PHE A 17 -1.625 5.891 6.862 1.00 0.00 N ATOM 217 CA PHE A 17 -0.394 6.456 7.389 1.00 0.00 C ATOM 218 C PHE A 17 -0.541 6.803 8.871 1.00 0.00 C ATOM 219 O PHE A 17 -0.994 7.894 9.215 1.00 0.00 O ATOM 220 CB PHE A 17 -0.117 7.738 6.602 1.00 0.00 C ATOM 221 CG PHE A 17 0.323 7.498 5.156 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.519 6.903 4.899 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.482 7.880 4.128 1.00 0.00 C ATOM 224 CE1 PHE A 17 1.927 6.681 3.557 1.00 0.00 C ATOM 225 CE2 PHE A 17 -0.073 7.658 2.786 1.00 0.00 C ATOM 226 CZ PHE A 17 1.123 7.063 2.530 1.00 0.00 C ATOM 0 H PHE A 17 -2.243 6.564 6.407 1.00 0.00 H new ATOM 0 HA PHE A 17 0.418 5.735 7.291 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.017 8.352 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.657 8.308 7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.158 6.600 5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.432 8.352 4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.876 6.209 3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.711 7.961 1.969 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.434 6.894 1.510 1.00 0.00 H new ATOM 236 N VAL A 18 -0.150 5.855 9.710 1.00 0.00 N ATOM 237 CA VAL A 18 -0.233 6.047 11.148 1.00 0.00 C ATOM 238 C VAL A 18 0.923 6.938 11.607 1.00 0.00 C ATOM 239 O VAL A 18 0.799 7.664 12.592 1.00 0.00 O ATOM 240 CB VAL A 18 -0.260 4.691 11.856 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.639 4.038 11.740 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.832 3.767 11.313 1.00 0.00 C ATOM 0 H VAL A 18 0.225 4.951 9.421 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.160 6.556 11.413 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.059 4.862 12.914 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.630 3.076 12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.388 4.685 12.197 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.883 3.887 10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.791 2.810 11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.676 3.607 10.246 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.808 4.225 11.472 1.00 0.00 H new ATOM 252 N LYS A 19 2.021 6.854 10.870 1.00 0.00 N ATOM 253 CA LYS A 19 3.198 7.644 11.189 1.00 0.00 C ATOM 254 C LYS A 19 3.752 8.266 9.905 1.00 0.00 C ATOM 255 O LYS A 19 3.158 8.128 8.838 1.00 0.00 O ATOM 256 CB LYS A 19 4.219 6.799 11.953 1.00 0.00 C ATOM 257 CG LYS A 19 3.624 6.268 13.259 1.00 0.00 C ATOM 258 CD LYS A 19 4.465 6.701 14.461 1.00 0.00 C ATOM 259 CE LYS A 19 3.713 6.460 15.772 1.00 0.00 C ATOM 260 NZ LYS A 19 4.240 7.337 16.841 1.00 0.00 N ATOM 0 H LYS A 19 2.120 6.251 10.053 1.00 0.00 H new ATOM 0 HA LYS A 19 2.937 8.466 11.855 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.544 5.965 11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.103 7.398 12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.604 6.635 13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.569 5.180 13.222 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.405 6.149 14.470 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.717 7.758 14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.649 6.651 15.628 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.812 5.416 16.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.719 7.160 17.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.250 7.136 16.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.123 8.332 16.563 1.00 0.00 H new ATOM 274 N GLY A 20 4.885 8.938 10.053 1.00 0.00 N ATOM 275 CA GLY A 20 5.526 9.582 8.919 1.00 0.00 C ATOM 276 C GLY A 20 4.970 10.991 8.702 1.00 0.00 C ATOM 277 O GLY A 20 4.243 11.512 9.546 1.00 0.00 O ATOM 0 H GLY A 20 5.375 9.050 10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.602 9.634 9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.371 8.984 8.021 1.00 0.00 H new ATOM 281 N PRO A 21 5.344 11.583 7.536 1.00 0.00 N ATOM 282 CA PRO A 21 4.891 12.921 7.198 1.00 0.00 C ATOM 283 C PRO A 21 3.424 12.910 6.763 1.00 0.00 C ATOM 284 O PRO A 21 2.713 13.899 6.939 1.00 0.00 O ATOM 285 CB PRO A 21 5.832 13.389 6.100 1.00 0.00 C ATOM 286 CG PRO A 21 6.479 12.132 5.542 1.00 0.00 C ATOM 287 CD PRO A 21 6.203 10.995 6.512 1.00 0.00 C ATOM 0 HA PRO A 21 4.921 13.602 8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.289 13.927 5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.583 14.073 6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.075 11.900 4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.552 12.277 5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.711 10.160 6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.127 10.609 6.943 1.00 0.00 H new ATOM 295 N ARG A 22 3.014 11.781 6.203 1.00 0.00 N ATOM 296 CA ARG A 22 1.645 11.629 5.742 1.00 0.00 C ATOM 297 C ARG A 22 0.746 11.165 6.890 1.00 0.00 C ATOM 298 O ARG A 22 -0.457 10.988 6.709 1.00 0.00 O ATOM 299 CB ARG A 22 1.559 10.618 4.596 1.00 0.00 C ATOM 300 CG ARG A 22 0.943 11.254 3.349 1.00 0.00 C ATOM 301 CD ARG A 22 1.976 12.095 2.595 1.00 0.00 C ATOM 302 NE ARG A 22 1.987 13.477 3.126 1.00 0.00 N ATOM 303 CZ ARG A 22 2.943 14.377 2.857 1.00 0.00 C ATOM 304 NH1 ARG A 22 3.971 14.046 2.064 1.00 0.00 N ATOM 305 NH2 ARG A 22 2.872 15.607 3.382 1.00 0.00 N ATOM 0 H ARG A 22 3.606 10.963 6.058 1.00 0.00 H new ATOM 0 HA ARG A 22 1.307 12.601 5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.555 10.242 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.960 9.762 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.554 10.475 2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.098 11.880 3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.965 11.649 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.741 12.107 1.531 1.00 0.00 H new ATOM 0 HE ARG A 22 1.219 13.762 3.734 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.026 13.109 1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.698 14.731 1.859 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.090 15.859 3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.600 16.292 3.177 1.00 0.00 H new ATOM 319 N GLU A 23 1.366 10.981 8.047 1.00 0.00 N ATOM 320 CA GLU A 23 0.637 10.542 9.225 1.00 0.00 C ATOM 321 C GLU A 23 -0.743 11.200 9.271 1.00 0.00 C ATOM 322 O GLU A 23 -0.850 12.417 9.413 1.00 0.00 O ATOM 323 CB GLU A 23 1.428 10.836 10.501 1.00 0.00 C ATOM 324 CG GLU A 23 0.586 10.553 11.746 1.00 0.00 C ATOM 325 CD GLU A 23 0.278 11.846 12.505 1.00 0.00 C ATOM 326 OE1 GLU A 23 -0.081 12.832 11.826 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.409 11.819 13.748 1.00 0.00 O ATOM 0 H GLU A 23 2.365 11.128 8.194 1.00 0.00 H new ATOM 0 HA GLU A 23 0.501 9.462 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.331 10.226 10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.747 11.878 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.345 10.066 11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.118 9.861 12.399 1.00 0.00 H new ATOM 334 N GLY A 24 -1.765 10.366 9.149 1.00 0.00 N ATOM 335 CA GLY A 24 -3.135 10.851 9.175 1.00 0.00 C ATOM 336 C GLY A 24 -3.795 10.705 7.802 1.00 0.00 C ATOM 337 O GLY A 24 -4.994 10.935 7.659 1.00 0.00 O ATOM 0 H GLY A 24 -1.672 9.357 9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.707 10.296 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.148 11.898 9.479 1.00 0.00 H new ATOM 341 N ASP A 25 -2.982 10.323 6.828 1.00 0.00 N ATOM 342 CA ASP A 25 -3.472 10.143 5.472 1.00 0.00 C ATOM 343 C ASP A 25 -3.659 8.650 5.196 1.00 0.00 C ATOM 344 O ASP A 25 -2.986 7.815 5.797 1.00 0.00 O ATOM 345 CB ASP A 25 -2.476 10.692 4.449 1.00 0.00 C ATOM 346 CG ASP A 25 -2.426 12.218 4.349 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.360 12.777 3.734 1.00 0.00 O ATOM 348 OD2 ASP A 25 -1.456 12.791 4.890 1.00 0.00 O ATOM 0 H ASP A 25 -1.987 10.133 6.951 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.416 10.680 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.481 10.327 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.725 10.287 3.468 1.00 0.00 H new ATOM 353 N ALA A 26 -4.577 8.360 4.285 1.00 0.00 N ATOM 354 CA ALA A 26 -4.861 6.982 3.922 1.00 0.00 C ATOM 355 C ALA A 26 -5.382 6.935 2.484 1.00 0.00 C ATOM 356 O ALA A 26 -5.928 7.919 1.986 1.00 0.00 O ATOM 357 CB ALA A 26 -5.853 6.384 4.922 1.00 0.00 C ATOM 0 H ALA A 26 -5.133 9.056 3.788 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.954 6.379 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.066 5.350 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.423 6.414 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.778 6.961 4.907 1.00 0.00 H new ATOM 363 N LEU A 27 -5.196 5.783 1.858 1.00 0.00 N ATOM 364 CA LEU A 27 -5.641 5.595 0.488 1.00 0.00 C ATOM 365 C LEU A 27 -6.334 4.237 0.363 1.00 0.00 C ATOM 366 O LEU A 27 -6.307 3.434 1.294 1.00 0.00 O ATOM 367 CB LEU A 27 -4.474 5.782 -0.484 1.00 0.00 C ATOM 368 CG LEU A 27 -3.656 7.063 -0.312 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.161 6.785 -0.475 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.143 8.157 -1.264 1.00 0.00 C ATOM 0 H LEU A 27 -4.743 4.970 2.274 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.376 6.354 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.802 4.929 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.867 5.759 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.806 7.430 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.602 7.712 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.841 6.063 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.972 6.381 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.545 9.057 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.043 7.814 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.189 8.381 -1.056 1.00 0.00 H new ATOM 382 N ASP A 28 -6.939 4.022 -0.796 1.00 0.00 N ATOM 383 CA ASP A 28 -7.638 2.774 -1.055 1.00 0.00 C ATOM 384 C ASP A 28 -7.526 2.431 -2.542 1.00 0.00 C ATOM 385 O ASP A 28 -7.676 3.302 -3.397 1.00 0.00 O ATOM 386 CB ASP A 28 -9.124 2.893 -0.709 1.00 0.00 C ATOM 387 CG ASP A 28 -9.968 3.655 -1.733 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.843 4.898 -1.758 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.718 2.976 -2.466 1.00 0.00 O ATOM 0 H ASP A 28 -6.960 4.690 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.184 1.999 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.536 1.890 -0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.218 3.388 0.257 1.00 0.00 H new ATOM 394 N TYR A 29 -7.262 1.159 -2.805 1.00 0.00 N ATOM 395 CA TYR A 29 -7.128 0.690 -4.173 1.00 0.00 C ATOM 396 C TYR A 29 -7.869 -0.633 -4.374 1.00 0.00 C ATOM 397 O TYR A 29 -8.333 -1.242 -3.411 1.00 0.00 O ATOM 398 CB TYR A 29 -5.632 0.462 -4.396 1.00 0.00 C ATOM 399 CG TYR A 29 -4.783 1.729 -4.272 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.418 2.196 -3.026 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.384 2.405 -5.407 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.620 3.388 -2.910 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.585 3.598 -5.291 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.243 4.031 -4.048 1.00 0.00 C ATOM 405 OH TYR A 29 -2.489 5.157 -3.938 1.00 0.00 O ATOM 0 H TYR A 29 -7.137 0.439 -2.093 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.549 1.415 -4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.276 -0.273 -3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.484 0.034 -5.387 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.731 1.667 -2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.671 2.040 -6.382 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.327 3.764 -1.941 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.265 4.136 -6.171 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.294 5.508 -4.832 1.00 0.00 H new ATOM 415 N LYS A 30 -7.958 -1.039 -5.632 1.00 0.00 N ATOM 416 CA LYS A 30 -8.635 -2.279 -5.972 1.00 0.00 C ATOM 417 C LYS A 30 -7.608 -3.409 -6.059 1.00 0.00 C ATOM 418 O LYS A 30 -6.404 -3.158 -6.096 1.00 0.00 O ATOM 419 CB LYS A 30 -9.466 -2.105 -7.245 1.00 0.00 C ATOM 420 CG LYS A 30 -10.938 -1.857 -6.909 1.00 0.00 C ATOM 421 CD LYS A 30 -11.784 -1.776 -8.182 1.00 0.00 C ATOM 422 CE LYS A 30 -11.952 -0.325 -8.637 1.00 0.00 C ATOM 423 NZ LYS A 30 -11.650 -0.196 -10.080 1.00 0.00 N ATOM 0 H LYS A 30 -7.573 -0.531 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.344 -2.551 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.076 -1.270 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.376 -2.996 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.310 -2.659 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.035 -0.930 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.312 -2.357 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.763 -2.220 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.971 0.008 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.290 0.322 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.769 0.795 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.670 -0.494 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.299 -0.798 -10.626 1.00 0.00 H new ATOM 437 N PRO A 31 -8.134 -4.663 -6.089 1.00 0.00 N ATOM 438 CA PRO A 31 -7.275 -5.833 -6.171 1.00 0.00 C ATOM 439 C PRO A 31 -6.708 -5.999 -7.582 1.00 0.00 C ATOM 440 O PRO A 31 -7.457 -6.030 -8.557 1.00 0.00 O ATOM 441 CB PRO A 31 -8.155 -6.997 -5.743 1.00 0.00 C ATOM 442 CG PRO A 31 -9.588 -6.511 -5.886 1.00 0.00 C ATOM 443 CD PRO A 31 -9.554 -5.000 -6.047 1.00 0.00 C ATOM 0 HA PRO A 31 -6.397 -5.757 -5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.975 -7.872 -6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.943 -7.290 -4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.064 -6.976 -6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.174 -6.788 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.062 -4.688 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.055 -4.502 -5.217 1.00 0.00 H new ATOM 451 N GLY A 32 -5.388 -6.103 -7.646 1.00 0.00 N ATOM 452 CA GLY A 32 -4.711 -6.265 -8.921 1.00 0.00 C ATOM 453 C GLY A 32 -4.068 -4.952 -9.371 1.00 0.00 C ATOM 454 O GLY A 32 -3.661 -4.820 -10.525 1.00 0.00 O ATOM 0 H GLY A 32 -4.770 -6.078 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.947 -7.038 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.423 -6.602 -9.674 1.00 0.00 H new ATOM 458 N SER A 33 -3.996 -4.015 -8.438 1.00 0.00 N ATOM 459 CA SER A 33 -3.409 -2.717 -8.724 1.00 0.00 C ATOM 460 C SER A 33 -2.105 -2.548 -7.941 1.00 0.00 C ATOM 461 O SER A 33 -2.121 -2.462 -6.714 1.00 0.00 O ATOM 462 CB SER A 33 -4.382 -1.585 -8.386 1.00 0.00 C ATOM 463 OG SER A 33 -5.163 -1.199 -9.512 1.00 0.00 O ATOM 0 H SER A 33 -4.335 -4.129 -7.483 1.00 0.00 H new ATOM 0 HA SER A 33 -3.193 -2.667 -9.791 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.042 -1.903 -7.579 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.823 -0.724 -8.020 1.00 0.00 H new ATOM 0 HG SER A 33 -5.772 -0.476 -9.255 1.00 0.00 H new ATOM 469 N THR A 34 -1.008 -2.506 -8.683 1.00 0.00 N ATOM 470 CA THR A 34 0.302 -2.349 -8.074 1.00 0.00 C ATOM 471 C THR A 34 0.469 -0.930 -7.526 1.00 0.00 C ATOM 472 O THR A 34 0.506 0.034 -8.290 1.00 0.00 O ATOM 473 CB THR A 34 1.356 -2.726 -9.116 1.00 0.00 C ATOM 474 OG1 THR A 34 1.055 -4.081 -9.440 1.00 0.00 O ATOM 475 CG2 THR A 34 2.766 -2.790 -8.525 1.00 0.00 C ATOM 0 H THR A 34 -0.999 -2.578 -9.700 1.00 0.00 H new ATOM 0 HA THR A 34 0.421 -3.011 -7.216 1.00 0.00 H new ATOM 0 HB THR A 34 1.336 -2.002 -9.931 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.690 -4.406 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.476 -3.062 -9.306 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.033 -1.816 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.795 -3.538 -7.733 1.00 0.00 H new ATOM 483 N ILE A 35 0.565 -0.846 -6.208 1.00 0.00 N ATOM 484 CA ILE A 35 0.727 0.439 -5.549 1.00 0.00 C ATOM 485 C ILE A 35 2.214 0.691 -5.291 1.00 0.00 C ATOM 486 O ILE A 35 2.759 0.236 -4.287 1.00 0.00 O ATOM 487 CB ILE A 35 -0.136 0.508 -4.288 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.625 0.448 -4.638 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.208 1.744 -3.455 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.271 -0.818 -4.073 1.00 0.00 C ATOM 0 H ILE A 35 0.534 -1.647 -5.578 1.00 0.00 H new ATOM 0 HA ILE A 35 0.373 1.244 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 35 0.086 -0.365 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.131 1.327 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.749 0.472 -5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.420 1.769 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.256 1.703 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.033 2.642 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.329 -0.835 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.778 -1.696 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.167 -0.826 -2.988 1.00 0.00 H new ATOM 502 N ARG A 36 2.827 1.415 -6.216 1.00 0.00 N ATOM 503 CA ARG A 36 4.241 1.733 -6.101 1.00 0.00 C ATOM 504 C ARG A 36 4.449 2.870 -5.099 1.00 0.00 C ATOM 505 O ARG A 36 4.134 4.023 -5.388 1.00 0.00 O ATOM 506 CB ARG A 36 4.825 2.143 -7.455 1.00 0.00 C ATOM 507 CG ARG A 36 4.793 0.974 -8.442 1.00 0.00 C ATOM 508 CD ARG A 36 4.354 1.441 -9.831 1.00 0.00 C ATOM 509 NE ARG A 36 5.493 2.072 -10.535 1.00 0.00 N ATOM 510 CZ ARG A 36 5.561 2.226 -11.865 1.00 0.00 C ATOM 511 NH1 ARG A 36 4.558 1.796 -12.642 1.00 0.00 N ATOM 512 NH2 ARG A 36 6.633 2.810 -12.417 1.00 0.00 N ATOM 0 H ARG A 36 2.371 1.790 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 36 4.755 0.837 -5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.259 2.982 -7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.852 2.485 -7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.781 0.518 -8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.109 0.206 -8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.983 0.594 -10.408 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.532 2.151 -9.742 1.00 0.00 H new ATOM 0 HE ARG A 36 6.274 2.411 -9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.742 1.351 -12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.610 1.913 -13.654 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.397 3.137 -11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.685 2.927 -13.429 1.00 0.00 H new ATOM 526 N VAL A 37 4.979 2.505 -3.941 1.00 0.00 N ATOM 527 CA VAL A 37 5.234 3.480 -2.894 1.00 0.00 C ATOM 528 C VAL A 37 6.683 3.961 -2.992 1.00 0.00 C ATOM 529 O VAL A 37 7.614 3.183 -2.792 1.00 0.00 O ATOM 530 CB VAL A 37 4.894 2.882 -1.527 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.937 3.951 -0.434 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.533 2.183 -1.558 1.00 0.00 C ATOM 0 H VAL A 37 5.239 1.547 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 37 4.593 4.352 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 37 5.650 2.133 -1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.692 3.499 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.937 4.383 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.214 4.734 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.315 1.767 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.760 2.903 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.553 1.380 -2.295 1.00 0.00 H new ATOM 542 N GLY A 38 6.828 5.242 -3.301 1.00 0.00 N ATOM 543 CA GLY A 38 8.148 5.836 -3.428 1.00 0.00 C ATOM 544 C GLY A 38 8.186 7.228 -2.794 1.00 0.00 C ATOM 545 O GLY A 38 7.339 7.560 -1.966 1.00 0.00 O ATOM 0 H GLY A 38 6.053 5.884 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.887 5.194 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.420 5.905 -4.481 1.00 0.00 H new ATOM 549 N ARG A 39 9.178 8.004 -3.206 1.00 0.00 N ATOM 550 CA ARG A 39 9.338 9.352 -2.688 1.00 0.00 C ATOM 551 C ARG A 39 8.821 10.375 -3.703 1.00 0.00 C ATOM 552 O ARG A 39 7.948 11.181 -3.386 1.00 0.00 O ATOM 553 CB ARG A 39 10.805 9.651 -2.375 1.00 0.00 C ATOM 554 CG ARG A 39 11.019 11.146 -2.129 1.00 0.00 C ATOM 555 CD ARG A 39 12.415 11.414 -1.561 1.00 0.00 C ATOM 556 NE ARG A 39 13.070 12.502 -2.321 1.00 0.00 N ATOM 557 CZ ARG A 39 14.388 12.741 -2.304 1.00 0.00 C ATOM 558 NH1 ARG A 39 15.200 11.972 -1.565 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.895 13.751 -3.025 1.00 0.00 N ATOM 0 H ARG A 39 9.879 7.725 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 39 8.760 9.424 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.116 9.086 -1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.432 9.322 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.891 11.694 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.263 11.516 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.342 11.687 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.018 10.508 -1.614 1.00 0.00 H new ATOM 0 HE ARG A 39 12.481 13.107 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.814 11.204 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.203 12.155 -1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.277 14.337 -3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.899 13.933 -3.012 1.00 0.00 H new ATOM 573 N ILE A 40 9.382 10.308 -4.901 1.00 0.00 N ATOM 574 CA ILE A 40 8.989 11.218 -5.963 1.00 0.00 C ATOM 575 C ILE A 40 7.617 10.806 -6.500 1.00 0.00 C ATOM 576 O ILE A 40 7.404 9.644 -6.843 1.00 0.00 O ATOM 577 CB ILE A 40 10.075 11.286 -7.039 1.00 0.00 C ATOM 578 CG1 ILE A 40 10.487 9.884 -7.493 1.00 0.00 C ATOM 579 CG2 ILE A 40 11.273 12.108 -6.558 1.00 0.00 C ATOM 580 CD1 ILE A 40 11.032 9.908 -8.922 1.00 0.00 C ATOM 0 H ILE A 40 10.106 9.637 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 40 8.890 12.233 -5.578 1.00 0.00 H new ATOM 0 HB ILE A 40 9.662 11.797 -7.909 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.245 9.487 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.629 9.214 -7.438 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.030 12.140 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.948 13.122 -6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.695 11.648 -5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.317 8.899 -9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.263 10.282 -9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.904 10.560 -8.968 1.00 0.00 H new ATOM 653 N GLU A 45 2.219 5.185 -7.612 1.00 0.00 N ATOM 654 CA GLU A 45 0.895 5.321 -7.031 1.00 0.00 C ATOM 655 C GLU A 45 0.944 6.237 -5.806 1.00 0.00 C ATOM 656 O GLU A 45 0.277 7.270 -5.772 1.00 0.00 O ATOM 657 CB GLU A 45 0.312 3.953 -6.668 1.00 0.00 C ATOM 658 CG GLU A 45 -0.808 3.562 -7.633 1.00 0.00 C ATOM 659 CD GLU A 45 -0.382 3.779 -9.087 1.00 0.00 C ATOM 660 OE1 GLU A 45 0.793 3.473 -9.385 1.00 0.00 O ATOM 661 OE2 GLU A 45 -1.239 4.247 -9.866 1.00 0.00 O ATOM 0 HA GLU A 45 0.239 5.774 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.099 3.200 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.073 3.976 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.075 2.516 -7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.699 4.153 -7.420 1.00 0.00 H new ATOM 668 N ILE A 46 1.741 5.826 -4.831 1.00 0.00 N ATOM 669 CA ILE A 46 1.886 6.598 -3.608 1.00 0.00 C ATOM 670 C ILE A 46 3.313 7.143 -3.520 1.00 0.00 C ATOM 671 O ILE A 46 4.268 6.451 -3.870 1.00 0.00 O ATOM 672 CB ILE A 46 1.472 5.762 -2.395 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.086 5.146 -2.601 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.546 6.587 -1.109 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.195 4.066 -1.554 1.00 0.00 C ATOM 0 H ILE A 46 2.293 4.969 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 46 1.216 7.458 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 46 2.179 4.939 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.675 5.924 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.020 4.715 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.247 5.969 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.567 6.937 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.877 7.444 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.186 3.645 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.553 3.278 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.153 4.506 -0.557 1.00 0.00 H new ATOM 687 N ALA A 47 3.412 8.378 -3.052 1.00 0.00 N ATOM 688 CA ALA A 47 4.706 9.025 -2.914 1.00 0.00 C ATOM 689 C ALA A 47 4.751 9.791 -1.590 1.00 0.00 C ATOM 690 O ALA A 47 3.822 10.529 -1.265 1.00 0.00 O ATOM 691 CB ALA A 47 4.956 9.932 -4.121 1.00 0.00 C ATOM 0 H ALA A 47 2.617 8.948 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 47 5.504 8.283 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.927 10.417 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.944 9.335 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.175 10.691 -4.174 1.00 0.00 H new ATOM 697 N ILE A 48 5.839 9.589 -0.863 1.00 0.00 N ATOM 698 CA ILE A 48 6.017 10.251 0.418 1.00 0.00 C ATOM 699 C ILE A 48 7.395 10.913 0.458 1.00 0.00 C ATOM 700 O ILE A 48 8.416 10.238 0.341 1.00 0.00 O ATOM 701 CB ILE A 48 5.772 9.270 1.567 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.388 8.628 1.454 1.00 0.00 C ATOM 703 CG2 ILE A 48 5.980 9.950 2.922 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.450 7.133 1.775 1.00 0.00 C ATOM 0 H ILE A 48 6.607 8.976 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 48 5.279 11.043 0.543 1.00 0.00 H new ATOM 0 HB ILE A 48 6.506 8.467 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.697 9.122 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.998 8.772 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.800 9.231 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.003 10.320 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.285 10.784 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.453 6.700 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.123 6.638 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.818 6.994 2.792 1.00 0.00 H new ATOM 716 N LYS A 49 7.380 12.228 0.625 1.00 0.00 N ATOM 717 CA LYS A 49 8.616 12.989 0.682 1.00 0.00 C ATOM 718 C LYS A 49 9.067 13.114 2.138 1.00 0.00 C ATOM 719 O LYS A 49 8.970 14.187 2.732 1.00 0.00 O ATOM 720 CB LYS A 49 8.451 14.334 -0.028 1.00 0.00 C ATOM 721 CG LYS A 49 8.323 14.144 -1.541 1.00 0.00 C ATOM 722 CD LYS A 49 8.922 15.332 -2.296 1.00 0.00 C ATOM 723 CE LYS A 49 10.379 15.063 -2.676 1.00 0.00 C ATOM 724 NZ LYS A 49 11.154 16.323 -2.685 1.00 0.00 N ATOM 0 H LYS A 49 6.531 12.785 0.723 1.00 0.00 H new ATOM 0 HA LYS A 49 9.409 12.467 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.567 14.845 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.307 14.972 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.829 13.226 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.273 14.030 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.338 15.527 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.863 16.227 -1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.822 14.362 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.424 14.595 -3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.141 16.122 -2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.741 16.980 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.126 16.754 -1.739 1.00 0.00 H new ATOM 738 N ASP A 50 9.550 12.002 2.673 1.00 0.00 N ATOM 739 CA ASP A 50 10.015 11.974 4.049 1.00 0.00 C ATOM 740 C ASP A 50 11.534 11.789 4.065 1.00 0.00 C ATOM 741 O ASP A 50 12.123 11.556 5.120 1.00 0.00 O ATOM 742 CB ASP A 50 9.389 10.809 4.818 1.00 0.00 C ATOM 743 CG ASP A 50 9.419 10.949 6.341 1.00 0.00 C ATOM 744 OD1 ASP A 50 9.446 12.110 6.804 1.00 0.00 O ATOM 745 OD2 ASP A 50 9.415 9.892 7.009 1.00 0.00 O ATOM 0 H ASP A 50 9.629 11.114 2.178 1.00 0.00 H new ATOM 0 HA ASP A 50 9.728 12.914 4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.353 10.698 4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.908 9.891 4.542 1.00 0.00 H new ATOM 750 N ALA A 51 12.124 11.901 2.884 1.00 0.00 N ATOM 751 CA ALA A 51 13.563 11.749 2.750 1.00 0.00 C ATOM 752 C ALA A 51 13.932 10.272 2.900 1.00 0.00 C ATOM 753 O ALA A 51 14.507 9.677 1.989 1.00 0.00 O ATOM 754 CB ALA A 51 14.268 12.634 3.780 1.00 0.00 C ATOM 0 H ALA A 51 11.632 12.095 2.012 1.00 0.00 H new ATOM 0 HA ALA A 51 13.893 12.072 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.347 12.520 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.996 13.676 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 51 13.964 12.337 4.784 1.00 0.00 H new ATOM 760 N GLY A 52 13.587 9.723 4.055 1.00 0.00 N ATOM 761 CA GLY A 52 13.875 8.327 4.336 1.00 0.00 C ATOM 762 C GLY A 52 13.408 7.429 3.188 1.00 0.00 C ATOM 763 O GLY A 52 13.902 6.314 3.027 1.00 0.00 O ATOM 0 H GLY A 52 13.110 10.220 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 52 14.946 8.197 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.380 8.029 5.260 1.00 0.00 H new ATOM 767 N ILE A 53 12.463 7.949 2.419 1.00 0.00 N ATOM 768 CA ILE A 53 11.924 7.209 1.291 1.00 0.00 C ATOM 769 C ILE A 53 12.641 7.645 0.011 1.00 0.00 C ATOM 770 O ILE A 53 12.903 8.831 -0.184 1.00 0.00 O ATOM 771 CB ILE A 53 10.403 7.363 1.227 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.749 6.901 2.531 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.829 6.635 0.009 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.332 7.463 2.663 1.00 0.00 C ATOM 0 H ILE A 53 12.057 8.875 2.555 1.00 0.00 H new ATOM 0 HA ILE A 53 12.108 6.142 1.412 1.00 0.00 H new ATOM 0 HB ILE A 53 10.172 8.422 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.716 5.812 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.353 7.224 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.746 6.760 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.261 7.052 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.070 5.574 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.890 7.119 3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.371 8.552 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.724 7.118 1.826 1.00 0.00 H new ATOM 786 N SER A 54 12.938 6.662 -0.826 1.00 0.00 N ATOM 787 CA SER A 54 13.619 6.929 -2.082 1.00 0.00 C ATOM 788 C SER A 54 12.634 6.814 -3.247 1.00 0.00 C ATOM 789 O SER A 54 11.551 6.250 -3.095 1.00 0.00 O ATOM 790 CB SER A 54 14.795 5.972 -2.284 1.00 0.00 C ATOM 791 OG SER A 54 15.931 6.631 -2.837 1.00 0.00 O ATOM 0 H SER A 54 12.720 5.680 -0.659 1.00 0.00 H new ATOM 0 HA SER A 54 14.013 7.945 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.066 5.524 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.491 5.159 -2.943 1.00 0.00 H new ATOM 0 HG SER A 54 16.661 5.986 -2.949 1.00 0.00 H new ATOM 797 N THR A 55 13.044 7.358 -4.383 1.00 0.00 N ATOM 798 CA THR A 55 12.212 7.323 -5.573 1.00 0.00 C ATOM 799 C THR A 55 11.556 5.949 -5.725 1.00 0.00 C ATOM 800 O THR A 55 10.335 5.826 -5.635 1.00 0.00 O ATOM 801 CB THR A 55 13.080 7.718 -6.769 1.00 0.00 C ATOM 802 OG1 THR A 55 14.240 6.900 -6.641 1.00 0.00 O ATOM 803 CG2 THR A 55 13.617 9.146 -6.657 1.00 0.00 C ATOM 0 H THR A 55 13.942 7.826 -4.504 1.00 0.00 H new ATOM 0 HA THR A 55 11.389 8.035 -5.501 1.00 0.00 H new ATOM 0 HB THR A 55 12.500 7.620 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.857 7.090 -7.378 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.226 9.375 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.783 9.845 -6.603 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.225 9.236 -5.757 1.00 0.00 H new ATOM 811 N LYS A 56 12.396 4.950 -5.953 1.00 0.00 N ATOM 812 CA LYS A 56 11.913 3.590 -6.119 1.00 0.00 C ATOM 813 C LYS A 56 12.262 2.774 -4.872 1.00 0.00 C ATOM 814 O LYS A 56 13.091 1.867 -4.932 1.00 0.00 O ATOM 815 CB LYS A 56 12.448 2.986 -7.419 1.00 0.00 C ATOM 816 CG LYS A 56 11.691 3.533 -8.630 1.00 0.00 C ATOM 817 CD LYS A 56 12.655 3.905 -9.758 1.00 0.00 C ATOM 818 CE LYS A 56 12.134 5.105 -10.551 1.00 0.00 C ATOM 819 NZ LYS A 56 12.216 4.841 -12.005 1.00 0.00 N ATOM 0 H LYS A 56 13.408 5.055 -6.027 1.00 0.00 H new ATOM 0 HA LYS A 56 10.827 3.580 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.510 3.210 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.353 1.901 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.980 2.787 -8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.114 4.410 -8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.635 4.138 -9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.786 3.053 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.101 5.313 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.716 5.993 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.858 5.666 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.206 4.665 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.641 4.007 -12.239 1.00 0.00 H new ATOM 833 N HIS A 57 11.612 3.126 -3.773 1.00 0.00 N ATOM 834 CA HIS A 57 11.844 2.438 -2.514 1.00 0.00 C ATOM 835 C HIS A 57 11.326 1.002 -2.612 1.00 0.00 C ATOM 836 O HIS A 57 12.100 0.051 -2.512 1.00 0.00 O ATOM 837 CB HIS A 57 11.225 3.213 -1.349 1.00 0.00 C ATOM 838 CG HIS A 57 11.535 2.631 0.009 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.988 3.399 1.068 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.450 1.350 0.470 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.166 2.605 2.114 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.833 1.336 1.741 1.00 0.00 N ATOM 0 H HIS A 57 10.925 3.878 -3.728 1.00 0.00 H new ATOM 0 HA HIS A 57 12.914 2.389 -2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.581 4.243 -1.381 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.143 3.245 -1.481 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.126 0.493 -0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.514 2.909 3.090 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.872 0.512 2.340 1.00 0.00 H new ATOM 850 N LEU A 58 10.020 0.889 -2.806 1.00 0.00 N ATOM 851 CA LEU A 58 9.390 -0.415 -2.918 1.00 0.00 C ATOM 852 C LEU A 58 8.066 -0.274 -3.671 1.00 0.00 C ATOM 853 O LEU A 58 7.606 0.839 -3.922 1.00 0.00 O ATOM 854 CB LEU A 58 9.247 -1.061 -1.539 1.00 0.00 C ATOM 855 CG LEU A 58 8.502 -0.238 -0.486 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.214 0.352 -1.063 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.238 -1.067 0.773 1.00 0.00 C ATOM 0 H LEU A 58 9.381 1.680 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 58 10.017 -1.092 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.731 -2.014 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.244 -1.283 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 58 9.138 0.598 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.703 0.932 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.456 1.000 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.563 -0.455 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.707 -0.458 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.632 -1.936 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.186 -1.398 1.196 1.00 0.00 H new ATOM 869 N ARG A 59 7.490 -1.418 -4.011 1.00 0.00 N ATOM 870 CA ARG A 59 6.228 -1.435 -4.731 1.00 0.00 C ATOM 871 C ARG A 59 5.300 -2.504 -4.149 1.00 0.00 C ATOM 872 O ARG A 59 5.743 -3.603 -3.820 1.00 0.00 O ATOM 873 CB ARG A 59 6.447 -1.715 -6.219 1.00 0.00 C ATOM 874 CG ARG A 59 6.574 -3.217 -6.482 1.00 0.00 C ATOM 875 CD ARG A 59 7.098 -3.484 -7.894 1.00 0.00 C ATOM 876 NE ARG A 59 6.499 -2.522 -8.846 1.00 0.00 N ATOM 877 CZ ARG A 59 7.034 -2.209 -10.034 1.00 0.00 C ATOM 878 NH1 ARG A 59 8.183 -2.779 -10.423 1.00 0.00 N ATOM 879 NH2 ARG A 59 6.420 -1.325 -10.833 1.00 0.00 N ATOM 0 H ARG A 59 7.874 -2.339 -3.801 1.00 0.00 H new ATOM 0 HA ARG A 59 5.770 -0.452 -4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.615 -1.311 -6.795 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.348 -1.205 -6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.248 -3.662 -5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.603 -3.696 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.184 -3.396 -7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.856 -4.504 -8.194 1.00 0.00 H new ATOM 0 HE ARG A 59 5.624 -2.069 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.650 -3.451 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.590 -2.541 -11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.546 -0.891 -10.537 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.827 -1.086 -11.737 1.00 0.00 H new ATOM 893 N ILE A 60 4.030 -2.143 -4.039 1.00 0.00 N ATOM 894 CA ILE A 60 3.036 -3.057 -3.503 1.00 0.00 C ATOM 895 C ILE A 60 2.223 -3.653 -4.654 1.00 0.00 C ATOM 896 O ILE A 60 1.759 -2.927 -5.532 1.00 0.00 O ATOM 897 CB ILE A 60 2.181 -2.358 -2.444 1.00 0.00 C ATOM 898 CG1 ILE A 60 3.029 -1.951 -1.237 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.989 -3.227 -2.040 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.527 -0.637 -0.633 1.00 0.00 C ATOM 0 H ILE A 60 3.667 -1.230 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 60 3.521 -3.888 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 60 1.779 -1.443 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.997 -2.738 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.070 -1.842 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.398 -2.706 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.369 -3.424 -2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.349 -4.171 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.147 -0.370 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.583 0.153 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.493 -0.757 -0.309 1.00 0.00 H new ATOM 912 N GLU A 61 2.076 -4.969 -4.613 1.00 0.00 N ATOM 913 CA GLU A 61 1.327 -5.670 -5.642 1.00 0.00 C ATOM 914 C GLU A 61 0.491 -6.791 -5.020 1.00 0.00 C ATOM 915 O GLU A 61 0.695 -7.152 -3.862 1.00 0.00 O ATOM 916 CB GLU A 61 2.262 -6.219 -6.723 1.00 0.00 C ATOM 917 CG GLU A 61 3.245 -7.233 -6.134 1.00 0.00 C ATOM 918 CD GLU A 61 3.082 -8.603 -6.797 1.00 0.00 C ATOM 919 OE1 GLU A 61 2.139 -9.319 -6.396 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.905 -8.903 -7.689 1.00 0.00 O ATOM 0 H GLU A 61 2.463 -5.568 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 61 0.651 -4.960 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.675 -6.691 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.812 -5.399 -7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.266 -6.877 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.081 -7.323 -5.060 1.00 0.00 H new ATOM 927 N SER A 62 -0.432 -7.309 -5.816 1.00 0.00 N ATOM 928 CA SER A 62 -1.299 -8.381 -5.358 1.00 0.00 C ATOM 929 C SER A 62 -1.138 -9.606 -6.260 1.00 0.00 C ATOM 930 O SER A 62 -0.779 -9.478 -7.429 1.00 0.00 O ATOM 931 CB SER A 62 -2.762 -7.932 -5.330 1.00 0.00 C ATOM 932 OG SER A 62 -3.650 -8.983 -5.699 1.00 0.00 O ATOM 0 H SER A 62 -0.599 -7.006 -6.776 1.00 0.00 H new ATOM 0 HA SER A 62 -1.008 -8.645 -4.341 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.014 -7.579 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.896 -7.089 -6.008 1.00 0.00 H new ATOM 0 HG SER A 62 -3.598 -9.703 -5.036 1.00 0.00 H new ATOM 938 N ASP A 63 -1.412 -10.767 -5.682 1.00 0.00 N ATOM 939 CA ASP A 63 -1.302 -12.014 -6.418 1.00 0.00 C ATOM 940 C ASP A 63 -2.661 -12.717 -6.428 1.00 0.00 C ATOM 941 O ASP A 63 -3.109 -13.223 -5.400 1.00 0.00 O ATOM 942 CB ASP A 63 -0.288 -12.954 -5.763 1.00 0.00 C ATOM 943 CG ASP A 63 -0.121 -14.309 -6.453 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.566 -14.412 -7.616 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.447 -15.211 -5.801 1.00 0.00 O ATOM 0 H ASP A 63 -1.710 -10.869 -4.712 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.974 -11.779 -7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.681 -12.456 -5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.589 -13.124 -4.729 1.00 0.00 H new ATOM 950 N SER A 64 -3.278 -12.727 -7.600 1.00 0.00 N ATOM 951 CA SER A 64 -4.576 -13.360 -7.757 1.00 0.00 C ATOM 952 C SER A 64 -5.613 -12.652 -6.883 1.00 0.00 C ATOM 953 O SER A 64 -6.341 -11.782 -7.359 1.00 0.00 O ATOM 954 CB SER A 64 -4.511 -14.847 -7.403 1.00 0.00 C ATOM 955 OG SER A 64 -4.676 -15.677 -8.550 1.00 0.00 O ATOM 0 H SER A 64 -2.903 -12.307 -8.450 1.00 0.00 H new ATOM 0 HA SER A 64 -4.872 -13.276 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.553 -15.066 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.286 -15.080 -6.673 1.00 0.00 H new ATOM 0 HG SER A 64 -4.627 -16.618 -8.282 1.00 0.00 H new ATOM 961 N GLY A 65 -5.646 -13.050 -5.620 1.00 0.00 N ATOM 962 CA GLY A 65 -6.582 -12.464 -4.675 1.00 0.00 C ATOM 963 C GLY A 65 -5.904 -12.192 -3.330 1.00 0.00 C ATOM 964 O GLY A 65 -6.570 -12.124 -2.298 1.00 0.00 O ATOM 0 H GLY A 65 -5.040 -13.771 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.980 -11.534 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.428 -13.136 -4.531 1.00 0.00 H new ATOM 968 N ASN A 66 -4.589 -12.042 -3.386 1.00 0.00 N ATOM 969 CA ASN A 66 -3.814 -11.779 -2.186 1.00 0.00 C ATOM 970 C ASN A 66 -2.918 -10.560 -2.419 1.00 0.00 C ATOM 971 O ASN A 66 -2.646 -10.196 -3.562 1.00 0.00 O ATOM 972 CB ASN A 66 -2.915 -12.967 -1.838 1.00 0.00 C ATOM 973 CG ASN A 66 -3.748 -14.180 -1.418 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.509 -14.143 -0.466 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.561 -15.254 -2.180 1.00 0.00 N ATOM 0 H ASN A 66 -4.041 -12.098 -4.244 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.511 -11.603 -1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.298 -13.225 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.236 -12.690 -1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.071 -16.115 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.908 -15.217 -2.963 1.00 0.00 H new ATOM 982 N TRP A 67 -2.485 -9.964 -1.318 1.00 0.00 N ATOM 983 CA TRP A 67 -1.626 -8.795 -1.389 1.00 0.00 C ATOM 984 C TRP A 67 -0.256 -9.180 -0.825 1.00 0.00 C ATOM 985 O TRP A 67 -0.171 -9.884 0.180 1.00 0.00 O ATOM 986 CB TRP A 67 -2.258 -7.605 -0.664 1.00 0.00 C ATOM 987 CG TRP A 67 -3.519 -7.063 -1.340 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.783 -7.475 -1.180 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.585 -5.984 -2.296 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.656 -6.744 -1.959 1.00 0.00 N ATOM 991 CE2 TRP A 67 -4.904 -5.808 -2.660 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.563 -5.182 -2.836 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.324 -4.838 -3.577 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -2.999 -4.217 -3.751 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.324 -4.028 -4.128 1.00 0.00 C ATOM 0 H TRP A 67 -2.713 -10.269 -0.372 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.499 -8.472 -2.422 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.504 -7.903 0.355 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.523 -6.803 -0.593 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.082 -8.279 -0.523 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.667 -6.868 -2.011 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.524 -5.302 -2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.364 -4.721 -3.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.254 -3.574 -4.196 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.580 -3.260 -4.843 1.00 0.00 H new ATOM 1006 N VAL A 68 0.780 -8.701 -1.496 1.00 0.00 N ATOM 1007 CA VAL A 68 2.141 -8.985 -1.074 1.00 0.00 C ATOM 1008 C VAL A 68 2.970 -7.701 -1.138 1.00 0.00 C ATOM 1009 O VAL A 68 2.612 -6.762 -1.847 1.00 0.00 O ATOM 1010 CB VAL A 68 2.726 -10.116 -1.923 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.730 -11.269 -2.062 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.164 -9.602 -3.296 1.00 0.00 C ATOM 0 H VAL A 68 0.705 -8.118 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 68 2.156 -9.330 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 68 3.610 -10.496 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.171 -12.059 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.489 -11.662 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.820 -10.908 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.576 -10.426 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.304 -9.182 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.924 -8.831 -3.170 1.00 0.00 H new ATOM 1022 N ILE A 69 4.061 -7.701 -0.387 1.00 0.00 N ATOM 1023 CA ILE A 69 4.944 -6.547 -0.349 1.00 0.00 C ATOM 1024 C ILE A 69 6.359 -6.979 -0.739 1.00 0.00 C ATOM 1025 O ILE A 69 6.801 -8.068 -0.377 1.00 0.00 O ATOM 1026 CB ILE A 69 4.865 -5.857 1.015 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.648 -4.542 1.010 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.328 -6.796 2.131 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.856 -3.431 1.702 1.00 0.00 C ATOM 0 H ILE A 69 4.354 -8.482 0.200 1.00 0.00 H new ATOM 0 HA ILE A 69 4.627 -5.800 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 69 3.822 -5.610 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.604 -4.681 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.870 -4.250 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.262 -6.282 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.692 -7.681 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.360 -7.095 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.434 -2.507 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.912 -3.278 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.657 -3.715 2.735 1.00 0.00 H new ATOM 1041 N GLN A 70 7.029 -6.103 -1.472 1.00 0.00 N ATOM 1042 CA GLN A 70 8.385 -6.380 -1.915 1.00 0.00 C ATOM 1043 C GLN A 70 9.251 -5.124 -1.793 1.00 0.00 C ATOM 1044 O GLN A 70 8.913 -4.077 -2.344 1.00 0.00 O ATOM 1045 CB GLN A 70 8.395 -6.915 -3.349 1.00 0.00 C ATOM 1046 CG GLN A 70 9.802 -7.351 -3.762 1.00 0.00 C ATOM 1047 CD GLN A 70 9.752 -8.600 -4.644 1.00 0.00 C ATOM 1048 OE1 GLN A 70 9.251 -9.672 -4.036 1.00 0.00 O flip ATOM 1049 NE2 GLN A 70 10.144 -8.592 -5.799 1.00 0.00 N flip ATOM 0 H GLN A 70 6.659 -5.201 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 70 8.806 -7.152 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.710 -7.759 -3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.034 -6.145 -4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.294 -6.541 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.400 -7.553 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.518 -7.734 -6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.098 -9.443 -6.359 1.00 0.00 H new ATOM 1058 N ASP A 71 10.350 -5.271 -1.069 1.00 0.00 N ATOM 1059 CA ASP A 71 11.267 -4.161 -0.868 1.00 0.00 C ATOM 1060 C ASP A 71 12.235 -4.084 -2.050 1.00 0.00 C ATOM 1061 O ASP A 71 13.140 -4.908 -2.170 1.00 0.00 O ATOM 1062 CB ASP A 71 12.091 -4.352 0.407 1.00 0.00 C ATOM 1063 CG ASP A 71 13.236 -3.354 0.593 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.347 -2.452 -0.266 1.00 0.00 O ATOM 1065 OD2 ASP A 71 13.973 -3.515 1.589 1.00 0.00 O ATOM 0 H ASP A 71 10.627 -6.141 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 71 10.678 -3.248 -0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.424 -4.281 1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.505 -5.360 0.407 1.00 0.00 H new ATOM 1070 N LEU A 72 12.011 -3.087 -2.893 1.00 0.00 N ATOM 1071 CA LEU A 72 12.853 -2.892 -4.061 1.00 0.00 C ATOM 1072 C LEU A 72 14.233 -2.406 -3.615 1.00 0.00 C ATOM 1073 O LEU A 72 14.664 -1.318 -3.994 1.00 0.00 O ATOM 1074 CB LEU A 72 12.168 -1.963 -5.066 1.00 0.00 C ATOM 1075 CG LEU A 72 10.930 -2.527 -5.765 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.172 -3.488 -4.848 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.033 -1.401 -6.284 1.00 0.00 C ATOM 0 H LEU A 72 11.259 -2.406 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 72 13.002 -3.836 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.883 -1.047 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.896 -1.685 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 72 11.259 -3.102 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.296 -3.874 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.824 -4.316 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.855 -2.959 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.160 -1.829 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.710 -0.779 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.589 -0.792 -6.996 1.00 0.00 H new ATOM 1089 N GLY A 73 14.888 -3.235 -2.816 1.00 0.00 N ATOM 1090 CA GLY A 73 16.210 -2.903 -2.314 1.00 0.00 C ATOM 1091 C GLY A 73 16.331 -1.403 -2.037 1.00 0.00 C ATOM 1092 O GLY A 73 17.209 -0.736 -2.582 1.00 0.00 O ATOM 0 H GLY A 73 14.527 -4.137 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.407 -3.462 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.965 -3.204 -3.040 1.00 0.00 H new ATOM 1096 N SER A 74 15.436 -0.917 -1.190 1.00 0.00 N ATOM 1097 CA SER A 74 15.431 0.492 -0.834 1.00 0.00 C ATOM 1098 C SER A 74 16.663 0.823 0.010 1.00 0.00 C ATOM 1099 O SER A 74 17.213 -0.049 0.681 1.00 0.00 O ATOM 1100 CB SER A 74 14.154 0.865 -0.077 1.00 0.00 C ATOM 1101 OG SER A 74 14.276 0.631 1.323 1.00 0.00 O ATOM 0 H SER A 74 14.709 -1.473 -0.740 1.00 0.00 H new ATOM 0 HA SER A 74 15.460 1.077 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.924 1.916 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.318 0.287 -0.470 1.00 0.00 H new ATOM 0 HG SER A 74 13.384 0.554 1.721 1.00 0.00 H new ATOM 1139 N THR A 78 12.810 -2.034 4.576 1.00 0.00 N ATOM 1140 CA THR A 78 11.395 -2.006 4.905 1.00 0.00 C ATOM 1141 C THR A 78 11.106 -2.923 6.095 1.00 0.00 C ATOM 1142 O THR A 78 11.663 -4.016 6.190 1.00 0.00 O ATOM 1143 CB THR A 78 10.609 -2.377 3.646 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.139 -1.518 2.640 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.135 -1.978 3.738 1.00 0.00 C ATOM 0 HA THR A 78 11.081 -1.010 5.219 1.00 0.00 H new ATOM 0 HB THR A 78 10.685 -3.451 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.092 -1.363 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.623 -2.264 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.673 -2.486 4.584 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.058 -0.900 3.876 1.00 0.00 H new ATOM 1153 N LEU A 79 10.236 -2.445 6.972 1.00 0.00 N ATOM 1154 CA LEU A 79 9.867 -3.209 8.152 1.00 0.00 C ATOM 1155 C LEU A 79 8.380 -3.562 8.080 1.00 0.00 C ATOM 1156 O LEU A 79 7.561 -2.739 7.674 1.00 0.00 O ATOM 1157 CB LEU A 79 10.259 -2.454 9.424 1.00 0.00 C ATOM 1158 CG LEU A 79 11.725 -2.566 9.845 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.063 -1.542 10.931 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.064 -3.993 10.277 1.00 0.00 C ATOM 0 H LEU A 79 9.776 -1.538 6.889 1.00 0.00 H new ATOM 0 HA LEU A 79 10.418 -4.149 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.021 -1.399 9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.638 -2.815 10.243 1.00 0.00 H new ATOM 0 HG LEU A 79 12.347 -2.336 8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.111 -1.643 11.213 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.884 -0.536 10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.434 -1.717 11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.112 -4.045 10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.436 -4.277 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.886 -4.676 9.447 1.00 0.00 H new ATOM 1172 N LEU A 80 8.076 -4.788 8.480 1.00 0.00 N ATOM 1173 CA LEU A 80 6.702 -5.261 8.467 1.00 0.00 C ATOM 1174 C LEU A 80 6.335 -5.792 9.854 1.00 0.00 C ATOM 1175 O LEU A 80 6.828 -6.838 10.272 1.00 0.00 O ATOM 1176 CB LEU A 80 6.497 -6.280 7.344 1.00 0.00 C ATOM 1177 CG LEU A 80 5.060 -6.757 7.126 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.125 -5.577 6.852 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.994 -7.809 6.017 1.00 0.00 C ATOM 0 H LEU A 80 8.758 -5.468 8.815 1.00 0.00 H new ATOM 0 HA LEU A 80 6.019 -4.440 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.859 -5.843 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.120 -7.150 7.551 1.00 0.00 H new ATOM 0 HG LEU A 80 4.716 -7.234 8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.110 -5.945 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.141 -4.895 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.457 -5.050 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.961 -8.131 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.365 -7.380 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.609 -8.666 6.292 1.00 0.00 H new ATOM 1191 N ASN A 81 5.474 -5.046 10.530 1.00 0.00 N ATOM 1192 CA ASN A 81 5.036 -5.428 11.861 1.00 0.00 C ATOM 1193 C ASN A 81 6.244 -5.471 12.798 1.00 0.00 C ATOM 1194 O ASN A 81 6.500 -4.518 13.532 1.00 0.00 O ATOM 1195 CB ASN A 81 4.394 -6.817 11.852 1.00 0.00 C ATOM 1196 CG ASN A 81 2.980 -6.765 11.271 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.144 -5.974 11.675 1.00 0.00 O ATOM 1198 ND2 ASN A 81 2.761 -7.649 10.302 1.00 0.00 N ATOM 0 H ASN A 81 5.068 -4.178 10.180 1.00 0.00 H new ATOM 0 HA ASN A 81 4.304 -4.695 12.199 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.007 -7.501 11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.359 -7.212 12.867 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.848 -7.693 9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.506 -8.283 10.012 1.00 0.00 H new ATOM 1205 N SER A 82 6.956 -6.588 12.743 1.00 0.00 N ATOM 1206 CA SER A 82 8.132 -6.768 13.577 1.00 0.00 C ATOM 1207 C SER A 82 9.155 -7.647 12.857 1.00 0.00 C ATOM 1208 O SER A 82 9.512 -8.718 13.345 1.00 0.00 O ATOM 1209 CB SER A 82 7.760 -7.384 14.928 1.00 0.00 C ATOM 1210 OG SER A 82 7.478 -6.390 15.909 1.00 0.00 O ATOM 0 H SER A 82 6.741 -7.377 12.134 1.00 0.00 H new ATOM 0 HA SER A 82 8.572 -5.788 13.763 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.890 -8.029 14.805 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.578 -8.015 15.276 1.00 0.00 H new ATOM 0 HG SER A 82 7.108 -5.595 15.472 1.00 0.00 H new ATOM 1216 N ASN A 83 9.599 -7.162 11.706 1.00 0.00 N ATOM 1217 CA ASN A 83 10.574 -7.891 10.913 1.00 0.00 C ATOM 1218 C ASN A 83 10.977 -7.044 9.704 1.00 0.00 C ATOM 1219 O ASN A 83 10.142 -6.360 9.115 1.00 0.00 O ATOM 1220 CB ASN A 83 9.991 -9.207 10.396 1.00 0.00 C ATOM 1221 CG ASN A 83 10.846 -10.397 10.836 1.00 0.00 C ATOM 1222 OD1 ASN A 83 12.053 -10.304 10.990 1.00 0.00 O ATOM 1223 ND2 ASN A 83 10.156 -11.517 11.028 1.00 0.00 N ATOM 0 H ASN A 83 9.301 -6.273 11.304 1.00 0.00 H new ATOM 0 HA ASN A 83 11.434 -8.103 11.548 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.974 -9.329 10.768 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.932 -9.180 9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.636 -12.368 11.322 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.147 -11.526 10.881 1.00 0.00 H new ATOM 1230 N ALA A 84 12.257 -7.119 9.370 1.00 0.00 N ATOM 1231 CA ALA A 84 12.781 -6.368 8.242 1.00 0.00 C ATOM 1232 C ALA A 84 12.576 -7.175 6.958 1.00 0.00 C ATOM 1233 O ALA A 84 13.019 -8.318 6.862 1.00 0.00 O ATOM 1234 CB ALA A 84 14.252 -6.032 8.490 1.00 0.00 C ATOM 0 H ALA A 84 12.947 -7.688 9.861 1.00 0.00 H new ATOM 0 HA ALA A 84 12.246 -5.425 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.644 -5.469 7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.341 -5.433 9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.821 -6.954 8.607 1.00 0.00 H new ATOM 1240 N LEU A 85 11.903 -6.548 6.004 1.00 0.00 N ATOM 1241 CA LEU A 85 11.634 -7.194 4.730 1.00 0.00 C ATOM 1242 C LEU A 85 12.951 -7.396 3.978 1.00 0.00 C ATOM 1243 O LEU A 85 13.995 -6.906 4.404 1.00 0.00 O ATOM 1244 CB LEU A 85 10.589 -6.404 3.940 1.00 0.00 C ATOM 1245 CG LEU A 85 9.250 -6.172 4.644 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.420 -5.117 3.909 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.486 -7.486 4.815 1.00 0.00 C ATOM 0 H LEU A 85 11.536 -5.600 6.088 1.00 0.00 H new ATOM 0 HA LEU A 85 11.201 -8.182 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.014 -5.434 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.398 -6.928 3.003 1.00 0.00 H new ATOM 0 HG LEU A 85 9.451 -5.785 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.474 -4.971 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.969 -4.176 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.226 -5.452 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.538 -7.293 5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.294 -7.926 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.080 -8.177 5.413 1.00 0.00 H new ATOM 1259 N ASP A 86 12.858 -8.118 2.871 1.00 0.00 N ATOM 1260 CA ASP A 86 14.029 -8.391 2.055 1.00 0.00 C ATOM 1261 C ASP A 86 13.683 -8.162 0.582 1.00 0.00 C ATOM 1262 O ASP A 86 12.528 -8.301 0.183 1.00 0.00 O ATOM 1263 CB ASP A 86 14.484 -9.843 2.213 1.00 0.00 C ATOM 1264 CG ASP A 86 15.981 -10.026 2.471 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.442 -9.526 3.520 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.631 -10.662 1.613 1.00 0.00 O ATOM 0 H ASP A 86 11.990 -8.522 2.520 1.00 0.00 H new ATOM 0 HA ASP A 86 14.829 -7.725 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.931 -10.294 3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.216 -10.392 1.310 1.00 0.00 H new ATOM 1271 N PRO A 87 14.733 -7.805 -0.206 1.00 0.00 N ATOM 1272 CA PRO A 87 14.552 -7.555 -1.626 1.00 0.00 C ATOM 1273 C PRO A 87 14.375 -8.866 -2.395 1.00 0.00 C ATOM 1274 O PRO A 87 13.612 -8.927 -3.358 1.00 0.00 O ATOM 1275 CB PRO A 87 15.789 -6.780 -2.050 1.00 0.00 C ATOM 1276 CG PRO A 87 16.826 -7.026 -0.967 1.00 0.00 C ATOM 1277 CD PRO A 87 16.114 -7.631 0.232 1.00 0.00 C ATOM 0 HA PRO A 87 13.648 -6.985 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.150 -7.121 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.570 -5.717 -2.147 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.603 -7.699 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.316 -6.093 -0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.561 -8.583 0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.174 -6.975 1.101 1.00 0.00 H new ATOM 1285 N GLU A 88 15.094 -9.883 -1.941 1.00 0.00 N ATOM 1286 CA GLU A 88 15.026 -11.189 -2.575 1.00 0.00 C ATOM 1287 C GLU A 88 13.991 -12.067 -1.870 1.00 0.00 C ATOM 1288 O GLU A 88 14.101 -13.292 -1.880 1.00 0.00 O ATOM 1289 CB GLU A 88 16.399 -11.863 -2.589 1.00 0.00 C ATOM 1290 CG GLU A 88 17.418 -11.016 -3.354 1.00 0.00 C ATOM 1291 CD GLU A 88 18.677 -11.825 -3.670 1.00 0.00 C ATOM 1292 OE1 GLU A 88 19.483 -12.011 -2.732 1.00 0.00 O ATOM 1293 OE2 GLU A 88 18.805 -12.241 -4.842 1.00 0.00 O ATOM 0 H GLU A 88 15.726 -9.829 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 88 14.714 -11.054 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.743 -12.016 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.320 -12.848 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.972 -10.653 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.684 -10.139 -2.764 1.00 0.00 H new ATOM 1300 N THR A 89 13.008 -11.407 -1.275 1.00 0.00 N ATOM 1301 CA THR A 89 11.954 -12.113 -0.566 1.00 0.00 C ATOM 1302 C THR A 89 10.629 -11.358 -0.691 1.00 0.00 C ATOM 1303 O THR A 89 10.613 -10.129 -0.738 1.00 0.00 O ATOM 1304 CB THR A 89 12.407 -12.310 0.882 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.660 -12.978 0.765 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.525 -13.302 1.642 1.00 0.00 C ATOM 0 H THR A 89 12.919 -10.391 -1.269 1.00 0.00 H new ATOM 0 HA THR A 89 11.774 -13.096 -1.002 1.00 0.00 H new ATOM 0 HB THR A 89 12.400 -11.350 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.027 -13.144 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.890 -13.405 2.664 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.498 -12.937 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.557 -14.272 1.146 1.00 0.00 H new ATOM 1314 N SER A 90 9.550 -12.125 -0.742 1.00 0.00 N ATOM 1315 CA SER A 90 8.224 -11.544 -0.860 1.00 0.00 C ATOM 1316 C SER A 90 7.319 -12.074 0.254 1.00 0.00 C ATOM 1317 O SER A 90 7.212 -13.283 0.449 1.00 0.00 O ATOM 1318 CB SER A 90 7.611 -11.844 -2.230 1.00 0.00 C ATOM 1319 OG SER A 90 7.380 -13.238 -2.417 1.00 0.00 O ATOM 0 H SER A 90 9.567 -13.144 -0.704 1.00 0.00 H new ATOM 0 HA SER A 90 8.315 -10.462 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.670 -11.303 -2.333 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.276 -11.478 -3.013 1.00 0.00 H new ATOM 0 HG SER A 90 7.290 -13.675 -1.544 1.00 0.00 H new ATOM 1325 N VAL A 91 6.691 -11.142 0.956 1.00 0.00 N ATOM 1326 CA VAL A 91 5.798 -11.500 2.045 1.00 0.00 C ATOM 1327 C VAL A 91 4.357 -11.179 1.645 1.00 0.00 C ATOM 1328 O VAL A 91 4.122 -10.345 0.771 1.00 0.00 O ATOM 1329 CB VAL A 91 6.233 -10.793 3.331 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.534 -11.396 4.551 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.753 -10.836 3.493 1.00 0.00 C ATOM 0 H VAL A 91 6.783 -10.140 0.792 1.00 0.00 H new ATOM 0 HA VAL A 91 5.849 -12.570 2.244 1.00 0.00 H new ATOM 0 HB VAL A 91 5.934 -9.747 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.861 -10.876 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.455 -11.289 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.788 -12.453 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.035 -10.327 4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.085 -11.873 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.224 -10.339 2.645 1.00 0.00 H new ATOM 1341 N ASN A 92 3.429 -11.858 2.303 1.00 0.00 N ATOM 1342 CA ASN A 92 2.017 -11.655 2.026 1.00 0.00 C ATOM 1343 C ASN A 92 1.438 -10.671 3.045 1.00 0.00 C ATOM 1344 O ASN A 92 1.532 -10.894 4.251 1.00 0.00 O ATOM 1345 CB ASN A 92 1.239 -12.968 2.142 1.00 0.00 C ATOM 1346 CG ASN A 92 1.356 -13.790 0.857 1.00 0.00 C ATOM 1347 OD1 ASN A 92 0.468 -13.814 0.022 1.00 0.00 O ATOM 1348 ND2 ASN A 92 2.500 -14.460 0.746 1.00 0.00 N ATOM 0 H ASN A 92 3.627 -12.549 3.027 1.00 0.00 H new ATOM 0 HA ASN A 92 1.924 -11.269 1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.619 -13.547 2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.190 -12.756 2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.675 -15.038 -0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.202 -14.396 1.483 1.00 0.00 H new ATOM 1355 N LEU A 93 0.851 -9.605 2.522 1.00 0.00 N ATOM 1356 CA LEU A 93 0.256 -8.586 3.371 1.00 0.00 C ATOM 1357 C LEU A 93 -0.907 -9.197 4.155 1.00 0.00 C ATOM 1358 O LEU A 93 -1.384 -10.281 3.822 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.136 -7.361 2.543 1.00 0.00 C ATOM 1360 CG LEU A 93 1.003 -6.410 2.171 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.482 -5.216 1.369 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.778 -5.970 3.415 1.00 0.00 C ATOM 0 H LEU A 93 0.774 -9.424 1.521 1.00 0.00 H new ATOM 0 HA LEU A 93 0.981 -8.228 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.610 -7.705 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.887 -6.798 3.097 1.00 0.00 H new ATOM 0 HG LEU A 93 1.701 -6.948 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.312 -4.556 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.011 -5.571 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.249 -4.669 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.582 -5.295 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.104 -5.457 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.201 -6.845 3.909 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.331 -8.475 5.181 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.430 -8.932 6.015 1.00 0.00 C ATOM 1376 C GLY A 94 -3.264 -7.752 6.519 1.00 0.00 C ATOM 1377 O GLY A 94 -3.109 -6.629 6.041 1.00 0.00 O ATOM 0 H GLY A 94 -0.933 -7.576 5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.063 -9.613 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.038 -9.494 6.863 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.130 -8.047 7.477 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.988 -7.025 8.051 1.00 0.00 C ATOM 1383 C ASP A 95 -4.385 -6.540 9.371 1.00 0.00 C ATOM 1384 O ASP A 95 -4.256 -7.312 10.319 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.384 -7.578 8.344 1.00 0.00 C ATOM 1386 CG ASP A 95 -6.504 -9.102 8.269 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -5.554 -9.770 8.731 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.543 -9.564 7.751 1.00 0.00 O ATOM 0 H ASP A 95 -4.256 -8.980 7.870 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.067 -6.209 7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.686 -7.253 9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.088 -7.138 7.638 1.00 0.00 H new ATOM 1393 N GLY A 96 -4.032 -5.263 9.389 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.445 -4.666 10.577 1.00 0.00 C ATOM 1395 C GLY A 96 -1.918 -4.746 10.533 1.00 0.00 C ATOM 1396 O GLY A 96 -1.260 -4.679 11.570 1.00 0.00 O ATOM 0 H GLY A 96 -4.141 -4.625 8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.756 -3.624 10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.814 -5.178 11.466 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.399 -4.887 9.323 1.00 0.00 N ATOM 1401 CA ASP A 97 0.039 -4.976 9.131 1.00 0.00 C ATOM 1402 C ASP A 97 0.627 -3.566 9.047 1.00 0.00 C ATOM 1403 O ASP A 97 0.235 -2.777 8.188 1.00 0.00 O ATOM 1404 CB ASP A 97 0.376 -5.707 7.830 1.00 0.00 C ATOM 1405 CG ASP A 97 -0.113 -7.155 7.756 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -1.267 -7.386 8.178 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.678 -7.998 7.279 1.00 0.00 O ATOM 0 H ASP A 97 -1.948 -4.942 8.465 1.00 0.00 H new ATOM 0 HA ASP A 97 0.458 -5.526 9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.054 -5.151 6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.458 -5.697 7.695 1.00 0.00 H new ATOM 1412 N VAL A 98 1.556 -3.292 9.950 1.00 0.00 N ATOM 1413 CA VAL A 98 2.202 -1.991 9.989 1.00 0.00 C ATOM 1414 C VAL A 98 3.498 -2.045 9.177 1.00 0.00 C ATOM 1415 O VAL A 98 4.367 -2.873 9.444 1.00 0.00 O ATOM 1416 CB VAL A 98 2.422 -1.559 11.440 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.531 -0.509 11.537 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.123 -1.044 12.062 1.00 0.00 C ATOM 0 H VAL A 98 1.877 -3.949 10.661 1.00 0.00 H new ATOM 0 HA VAL A 98 1.564 -1.234 9.532 1.00 0.00 H new ATOM 0 HB VAL A 98 2.739 -2.435 12.006 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.667 -0.219 12.579 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.461 -0.926 11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.255 0.367 10.950 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.308 -0.744 13.093 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.762 -0.187 11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.372 -1.834 12.043 1.00 0.00 H new ATOM 1428 N ILE A 99 3.586 -1.152 8.203 1.00 0.00 N ATOM 1429 CA ILE A 99 4.761 -1.087 7.351 1.00 0.00 C ATOM 1430 C ILE A 99 5.586 0.148 7.719 1.00 0.00 C ATOM 1431 O ILE A 99 5.185 1.275 7.431 1.00 0.00 O ATOM 1432 CB ILE A 99 4.357 -1.140 5.876 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.382 -2.289 5.615 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.589 -1.217 4.972 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.625 -2.079 4.302 1.00 0.00 C ATOM 0 H ILE A 99 2.862 -0.467 7.985 1.00 0.00 H new ATOM 0 HA ILE A 99 5.398 -1.956 7.515 1.00 0.00 H new ATOM 0 HB ILE A 99 3.836 -0.214 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.927 -3.232 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.673 -2.363 6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.273 -1.254 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.213 -0.338 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.159 -2.115 5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.939 -2.910 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.061 -1.147 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.335 -2.030 3.477 1.00 0.00 H new ATOM 1447 N LYS A 100 6.723 -0.106 8.350 1.00 0.00 N ATOM 1448 CA LYS A 100 7.607 0.972 8.761 1.00 0.00 C ATOM 1449 C LYS A 100 8.719 1.136 7.723 1.00 0.00 C ATOM 1450 O LYS A 100 9.638 0.321 7.657 1.00 0.00 O ATOM 1451 CB LYS A 100 8.122 0.730 10.181 1.00 0.00 C ATOM 1452 CG LYS A 100 7.236 1.430 11.213 1.00 0.00 C ATOM 1453 CD LYS A 100 7.411 0.807 12.599 1.00 0.00 C ATOM 1454 CE LYS A 100 6.958 -0.654 12.605 1.00 0.00 C ATOM 1455 NZ LYS A 100 6.218 -0.962 13.849 1.00 0.00 N ATOM 0 H LYS A 100 7.052 -1.042 8.587 1.00 0.00 H new ATOM 0 HA LYS A 100 7.065 1.917 8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.147 -0.340 10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.145 1.095 10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.486 2.490 11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.192 1.360 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.457 0.868 12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.835 1.373 13.331 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.324 -0.848 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.824 -1.310 12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.918 -1.958 13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.835 -0.796 14.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.381 -0.349 13.916 1.00 0.00 H new ATOM 1469 N LEU A 101 8.599 2.197 6.937 1.00 0.00 N ATOM 1470 CA LEU A 101 9.582 2.479 5.906 1.00 0.00 C ATOM 1471 C LEU A 101 10.122 3.898 6.096 1.00 0.00 C ATOM 1472 O LEU A 101 9.601 4.660 6.910 1.00 0.00 O ATOM 1473 CB LEU A 101 8.990 2.228 4.518 1.00 0.00 C ATOM 1474 CG LEU A 101 7.915 3.215 4.058 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.024 3.485 2.557 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.519 2.729 4.453 1.00 0.00 C ATOM 0 H LEU A 101 7.836 2.871 6.994 1.00 0.00 H new ATOM 0 HA LEU A 101 10.430 1.800 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.802 2.241 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.564 1.225 4.503 1.00 0.00 H new ATOM 0 HG LEU A 101 8.082 4.164 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.248 4.190 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.004 3.907 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.898 2.551 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.774 3.449 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.326 1.761 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.461 2.630 5.537 1.00 0.00 H new ATOM 1488 N GLY A 102 11.159 4.210 5.333 1.00 0.00 N ATOM 1489 CA GLY A 102 11.775 5.524 5.408 1.00 0.00 C ATOM 1490 C GLY A 102 12.509 5.710 6.737 1.00 0.00 C ATOM 1491 O GLY A 102 13.334 4.881 7.117 1.00 0.00 O ATOM 0 H GLY A 102 11.588 3.575 4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.474 5.649 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.012 6.294 5.299 1.00 0.00 H new ATOM 1495 N GLU A 103 12.182 6.805 7.408 1.00 0.00 N ATOM 1496 CA GLU A 103 12.800 7.111 8.687 1.00 0.00 C ATOM 1497 C GLU A 103 11.839 6.785 9.832 1.00 0.00 C ATOM 1498 O GLU A 103 12.188 6.042 10.748 1.00 0.00 O ATOM 1499 CB GLU A 103 13.246 8.574 8.745 1.00 0.00 C ATOM 1500 CG GLU A 103 14.264 8.881 7.645 1.00 0.00 C ATOM 1501 CD GLU A 103 15.318 9.875 8.135 1.00 0.00 C ATOM 1502 OE1 GLU A 103 16.244 9.419 8.839 1.00 0.00 O ATOM 1503 OE2 GLU A 103 15.173 11.069 7.794 1.00 0.00 O ATOM 0 H GLU A 103 11.497 7.491 7.090 1.00 0.00 H new ATOM 0 HA GLU A 103 13.689 6.490 8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.380 9.227 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.684 8.786 9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.749 7.959 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.751 9.289 6.774 1.00 0.00 H new ATOM 1510 N TYR A 104 10.648 7.358 9.744 1.00 0.00 N ATOM 1511 CA TYR A 104 9.634 7.138 10.761 1.00 0.00 C ATOM 1512 C TYR A 104 8.239 7.061 10.137 1.00 0.00 C ATOM 1513 O TYR A 104 7.250 7.425 10.772 1.00 0.00 O ATOM 1514 CB TYR A 104 9.698 8.352 11.690 1.00 0.00 C ATOM 1515 CG TYR A 104 10.944 8.392 12.577 1.00 0.00 C ATOM 1516 CD1 TYR A 104 10.979 7.669 13.752 1.00 0.00 C ATOM 1517 CD2 TYR A 104 12.034 9.151 12.201 1.00 0.00 C ATOM 1518 CE1 TYR A 104 12.152 7.707 14.586 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.208 9.188 13.035 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.208 8.465 14.187 1.00 0.00 C ATOM 1521 OH TYR A 104 14.316 8.500 14.975 1.00 0.00 O ATOM 0 H TYR A 104 10.362 7.975 8.984 1.00 0.00 H new ATOM 0 HA TYR A 104 9.814 6.200 11.286 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.664 9.260 11.088 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.812 8.358 12.325 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.126 7.075 14.046 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.007 9.717 11.282 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.192 7.146 15.508 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.068 9.776 12.752 1.00 0.00 H new ATOM 0 HH TYR A 104 14.991 9.081 14.565 1.00 0.00 H new ATOM 1531 N THR A 105 8.204 6.585 8.902 1.00 0.00 N ATOM 1532 CA THR A 105 6.946 6.455 8.185 1.00 0.00 C ATOM 1533 C THR A 105 6.353 5.061 8.396 1.00 0.00 C ATOM 1534 O THR A 105 6.958 4.061 8.011 1.00 0.00 O ATOM 1535 CB THR A 105 7.203 6.791 6.715 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.326 8.210 6.699 1.00 0.00 O ATOM 1537 CG2 THR A 105 5.987 6.511 5.829 1.00 0.00 C ATOM 0 H THR A 105 9.026 6.284 8.379 1.00 0.00 H new ATOM 0 HA THR A 105 6.199 7.152 8.566 1.00 0.00 H new ATOM 0 HB THR A 105 8.055 6.214 6.355 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.261 8.459 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.223 6.767 4.796 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.727 5.454 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.144 7.112 6.168 1.00 0.00 H new ATOM 1545 N SER A 106 5.178 5.038 9.006 1.00 0.00 N ATOM 1546 CA SER A 106 4.496 3.783 9.273 1.00 0.00 C ATOM 1547 C SER A 106 3.165 3.740 8.519 1.00 0.00 C ATOM 1548 O SER A 106 2.362 4.666 8.618 1.00 0.00 O ATOM 1549 CB SER A 106 4.264 3.590 10.772 1.00 0.00 C ATOM 1550 OG SER A 106 5.455 3.793 11.528 1.00 0.00 O ATOM 0 H SER A 106 4.680 5.869 9.324 1.00 0.00 H new ATOM 0 HA SER A 106 5.130 2.968 8.924 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.496 4.285 11.112 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.887 2.584 10.954 1.00 0.00 H new ATOM 0 HG SER A 106 5.264 3.662 12.480 1.00 0.00 H new ATOM 1556 N ILE A 107 2.973 2.655 7.783 1.00 0.00 N ATOM 1557 CA ILE A 107 1.753 2.479 7.014 1.00 0.00 C ATOM 1558 C ILE A 107 0.972 1.287 7.570 1.00 0.00 C ATOM 1559 O ILE A 107 1.563 0.289 7.979 1.00 0.00 O ATOM 1560 CB ILE A 107 2.073 2.363 5.522 1.00 0.00 C ATOM 1561 CG1 ILE A 107 3.009 3.486 5.072 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.791 2.316 4.689 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.471 3.271 3.630 1.00 0.00 C ATOM 0 H ILE A 107 3.642 1.889 7.703 1.00 0.00 H new ATOM 0 HA ILE A 107 1.111 3.354 7.112 1.00 0.00 H new ATOM 0 HB ILE A 107 2.599 1.422 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.498 4.445 5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.875 3.529 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.046 2.234 3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.195 1.453 4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.217 3.228 4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.135 4.084 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 107 4.003 2.323 3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.604 3.253 2.969 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.345 1.431 7.568 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.214 0.379 8.068 1.00 0.00 C ATOM 1577 C LEU A 108 -1.955 -0.265 6.894 1.00 0.00 C ATOM 1578 O LEU A 108 -2.348 0.421 5.952 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.141 0.921 9.157 1.00 0.00 C ATOM 1580 CG LEU A 108 -3.479 0.197 9.321 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.265 -1.268 9.706 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -4.378 0.926 10.321 1.00 0.00 C ATOM 0 H LEU A 108 -0.832 2.260 7.228 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.626 -0.406 8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.611 0.884 10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.342 1.971 8.945 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.993 0.207 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.231 -1.760 9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.690 -1.769 8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.721 -1.321 10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.322 0.391 10.419 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.883 0.969 11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.570 1.939 9.967 1.00 0.00 H new ATOM 1594 N VAL A 109 -2.123 -1.576 6.989 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.809 -2.320 5.947 1.00 0.00 C ATOM 1596 C VAL A 109 -4.212 -2.691 6.432 1.00 0.00 C ATOM 1597 O VAL A 109 -4.363 -3.477 7.367 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.977 -3.537 5.538 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.782 -4.474 4.635 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.675 -3.107 4.860 1.00 0.00 C ATOM 0 H VAL A 109 -1.796 -2.142 7.772 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.925 -1.707 5.053 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.718 -4.086 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.167 -5.331 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.668 -4.820 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.085 -3.940 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.102 -3.991 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.905 -2.525 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.089 -2.499 5.549 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.204 -2.109 5.774 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.590 -2.369 6.126 1.00 0.00 C ATOM 1612 C ASN A 110 -7.315 -2.967 4.918 1.00 0.00 C ATOM 1613 O ASN A 110 -7.266 -2.410 3.823 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.310 -1.078 6.518 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.511 -1.000 8.033 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -6.463 -1.413 8.739 1.00 0.00 O flip ATOM 1617 ND2 ASN A 110 -8.549 -0.593 8.527 1.00 0.00 N flip ATOM 0 H ASN A 110 -5.076 -1.458 4.999 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.600 -3.058 6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.732 -0.218 6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.277 -1.030 6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.316 -0.291 7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.651 -0.555 9.541 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.970 -4.093 5.159 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.705 -4.772 4.105 1.00 0.00 C ATOM 1626 C PHE A 111 -10.172 -4.338 4.092 1.00 0.00 C ATOM 1627 O PHE A 111 -10.945 -4.725 4.967 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.631 -6.271 4.403 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.276 -6.904 4.078 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.620 -6.557 2.939 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.730 -7.814 4.928 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.363 -7.144 2.637 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.473 -8.402 4.626 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.816 -8.054 3.487 1.00 0.00 C ATOM 0 H PHE A 111 -8.007 -4.552 6.069 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.274 -4.528 3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.852 -6.433 5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.406 -6.783 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.055 -5.835 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.252 -8.090 5.832 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.841 -6.868 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.039 -9.125 5.300 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.860 -8.500 3.258 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.511 -3.541 3.090 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.872 -3.050 2.951 1.00 0.00 C ATOM 1646 C VAL A 112 -12.670 -4.016 2.072 1.00 0.00 C ATOM 1647 O VAL A 112 -12.358 -4.192 0.895 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.859 -1.619 2.409 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.250 -0.988 2.498 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.821 -0.766 3.140 1.00 0.00 C ATOM 0 H VAL A 112 -9.867 -3.223 2.366 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.366 -3.011 3.922 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.577 -1.660 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.214 0.029 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.955 -1.578 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.573 -0.965 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.832 0.246 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.059 -0.735 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.831 -1.201 3.003 1.00 0.00 H new