USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 635 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 58 MET CE :methyl -162:sc= -1.18 (180deg=-1.54) USER MOD Set 1.2: A 70 MET CE :methyl 179:sc= -0.276 (180deg=-0.282) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 128:sc= 0.597 (180deg=0.118) USER MOD Single : A 14 LYS NZ :NH3+ -147:sc= 0.185 (180deg=-0.54) USER MOD Single : A 20 THR OG1 : rot -79:sc= 0.416 USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= -0.203 (180deg=-0.94) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 0.0318 (180deg=-0.0911) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= 0.416 (180deg=-0.156) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0.627 (180deg=0.341) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 50 MET CE :methyl -157:sc= -1.5! (180deg=-1.84!) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.918 (180deg=-1.92!) USER MOD Single : A 60 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.049) USER MOD Single : A 61 MET CE :methyl -172:sc= -3.11! (180deg=-3.58!) USER MOD Single : A 62 TYR OH : rot 91:sc= 0.347 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0843 X(o=-0.084,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0378 K(o=-0.038,f=-2.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0115) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -1.373 -13.847 8.176 1.00 22.45 N ATOM 114 CA LYS A 7 -0.036 -13.249 8.442 1.00 43.45 C ATOM 115 C LYS A 7 0.466 -12.452 7.192 1.00 23.15 C ATOM 116 O LYS A 7 1.225 -11.487 7.306 1.00 0.34 O ATOM 117 CB LYS A 7 0.972 -14.379 8.871 1.00 54.52 C ATOM 118 CG LYS A 7 1.856 -14.058 10.106 1.00 42.53 C ATOM 119 CD LYS A 7 2.797 -12.853 9.901 1.00 30.02 C ATOM 120 CE LYS A 7 3.698 -12.590 11.122 1.00 31.15 C ATOM 121 NZ LYS A 7 4.640 -11.467 10.882 1.00 43.30 N ATOM 0 HA LYS A 7 -0.110 -12.537 9.264 1.00 43.45 H new ATOM 0 HB2 LYS A 7 0.405 -15.287 9.079 1.00 54.52 H new ATOM 0 HB3 LYS A 7 1.625 -14.598 8.026 1.00 54.52 H new ATOM 0 HG2 LYS A 7 1.211 -13.862 10.962 1.00 42.53 H new ATOM 0 HG3 LYS A 7 2.453 -14.936 10.352 1.00 42.53 H new ATOM 0 HD2 LYS A 7 3.421 -13.029 9.025 1.00 30.02 H new ATOM 0 HD3 LYS A 7 2.202 -11.963 9.695 1.00 30.02 H new ATOM 0 HE2 LYS A 7 3.078 -12.365 11.989 1.00 31.15 H new ATOM 0 HE3 LYS A 7 4.261 -13.493 11.359 1.00 31.15 H new ATOM 0 HZ1 LYS A 7 5.229 -11.321 11.727 1.00 43.30 H new ATOM 0 HZ2 LYS A 7 5.249 -11.693 10.070 1.00 43.30 H new ATOM 0 HZ3 LYS A 7 4.102 -10.600 10.681 1.00 43.30 H new ATOM 135 N LEU A 8 0.012 -12.889 6.013 1.00 11.25 N ATOM 136 CA LEU A 8 0.277 -12.248 4.708 1.00 40.53 C ATOM 137 C LEU A 8 -0.407 -10.849 4.642 1.00 63.21 C ATOM 138 O LEU A 8 0.154 -9.877 4.121 1.00 52.12 O ATOM 139 CB LEU A 8 -0.274 -13.194 3.603 1.00 72.52 C ATOM 140 CG LEU A 8 0.164 -12.933 2.132 1.00 35.22 C ATOM 141 CD1 LEU A 8 1.673 -13.228 1.933 1.00 63.40 C ATOM 142 CD2 LEU A 8 -0.705 -13.763 1.152 1.00 5.15 C ATOM 0 H LEU A 8 -0.568 -13.724 5.931 1.00 11.25 H new ATOM 0 HA LEU A 8 1.346 -12.089 4.565 1.00 40.53 H new ATOM 0 HB2 LEU A 8 0.014 -14.213 3.861 1.00 72.52 H new ATOM 0 HB3 LEU A 8 -1.363 -13.152 3.640 1.00 72.52 H new ATOM 0 HG LEU A 8 0.008 -11.876 1.914 1.00 35.22 H new ATOM 0 HD11 LEU A 8 1.948 -13.036 0.896 1.00 63.40 H new ATOM 0 HD12 LEU A 8 2.259 -12.584 2.589 1.00 63.40 H new ATOM 0 HD13 LEU A 8 1.875 -14.272 2.175 1.00 63.40 H new ATOM 0 HD21 LEU A 8 -0.385 -13.569 0.128 1.00 5.15 H new ATOM 0 HD22 LEU A 8 -0.590 -14.824 1.373 1.00 5.15 H new ATOM 0 HD23 LEU A 8 -1.752 -13.481 1.265 1.00 5.15 H new ATOM 154 N LEU A 9 -1.638 -10.786 5.196 1.00 52.22 N ATOM 155 CA LEU A 9 -2.397 -9.526 5.394 1.00 71.33 C ATOM 156 C LEU A 9 -1.739 -8.621 6.461 1.00 40.15 C ATOM 157 O LEU A 9 -1.834 -7.396 6.386 1.00 40.24 O ATOM 158 CB LEU A 9 -3.849 -9.846 5.833 1.00 10.04 C ATOM 159 CG LEU A 9 -4.708 -10.647 4.814 1.00 63.45 C ATOM 160 CD1 LEU A 9 -6.048 -11.092 5.441 1.00 64.31 C ATOM 161 CD2 LEU A 9 -4.927 -9.841 3.510 1.00 4.33 C ATOM 0 H LEU A 9 -2.139 -11.613 5.522 1.00 52.22 H new ATOM 0 HA LEU A 9 -2.397 -8.994 4.443 1.00 71.33 H new ATOM 0 HB2 LEU A 9 -3.810 -10.408 6.766 1.00 10.04 H new ATOM 0 HB3 LEU A 9 -4.358 -8.906 6.048 1.00 10.04 H new ATOM 0 HG LEU A 9 -4.157 -11.550 4.549 1.00 63.45 H new ATOM 0 HD11 LEU A 9 -6.627 -11.650 4.705 1.00 64.31 H new ATOM 0 HD12 LEU A 9 -5.852 -11.727 6.305 1.00 64.31 H new ATOM 0 HD13 LEU A 9 -6.612 -10.214 5.756 1.00 64.31 H new ATOM 0 HD21 LEU A 9 -5.531 -10.427 2.817 1.00 4.33 H new ATOM 0 HD22 LEU A 9 -5.442 -8.908 3.741 1.00 4.33 H new ATOM 0 HD23 LEU A 9 -3.963 -9.620 3.053 1.00 4.33 H new ATOM 173 N GLU A 10 -1.101 -9.256 7.463 1.00 32.03 N ATOM 174 CA GLU A 10 -0.398 -8.552 8.564 1.00 33.01 C ATOM 175 C GLU A 10 0.811 -7.747 8.011 1.00 22.41 C ATOM 176 O GLU A 10 1.092 -6.627 8.460 1.00 32.14 O ATOM 177 CB GLU A 10 0.060 -9.589 9.642 1.00 41.44 C ATOM 178 CG GLU A 10 0.209 -9.035 11.075 1.00 23.21 C ATOM 179 CD GLU A 10 -1.132 -8.551 11.660 1.00 25.10 C ATOM 180 OE1 GLU A 10 -2.028 -9.396 11.889 1.00 32.14 O ATOM 181 OE2 GLU A 10 -1.310 -7.333 11.876 1.00 74.22 O ATOM 0 H GLU A 10 -1.056 -10.272 7.536 1.00 32.03 H new ATOM 0 HA GLU A 10 -1.081 -7.843 9.032 1.00 33.01 H new ATOM 0 HB2 GLU A 10 -0.658 -10.409 9.661 1.00 41.44 H new ATOM 0 HB3 GLU A 10 1.017 -10.010 9.333 1.00 41.44 H new ATOM 0 HG2 GLU A 10 0.625 -9.809 11.720 1.00 23.21 H new ATOM 0 HG3 GLU A 10 0.920 -8.208 11.070 1.00 23.21 H new ATOM 188 N LYS A 11 1.514 -8.363 7.032 1.00 53.45 N ATOM 189 CA LYS A 11 2.562 -7.702 6.213 1.00 41.43 C ATOM 190 C LYS A 11 1.998 -6.451 5.499 1.00 13.03 C ATOM 191 O LYS A 11 2.572 -5.368 5.609 1.00 34.34 O ATOM 192 CB LYS A 11 3.129 -8.722 5.163 1.00 53.25 C ATOM 193 CG LYS A 11 4.000 -8.157 3.988 1.00 31.04 C ATOM 194 CD LYS A 11 5.495 -7.887 4.317 1.00 50.21 C ATOM 195 CE LYS A 11 5.745 -6.644 5.182 1.00 22.24 C ATOM 196 NZ LYS A 11 7.198 -6.366 5.340 1.00 32.22 N ATOM 0 H LYS A 11 1.370 -9.342 6.785 1.00 53.45 H new ATOM 0 HA LYS A 11 3.368 -7.377 6.871 1.00 41.43 H new ATOM 0 HB2 LYS A 11 3.729 -9.457 5.700 1.00 53.25 H new ATOM 0 HB3 LYS A 11 2.285 -9.257 4.727 1.00 53.25 H new ATOM 0 HG2 LYS A 11 3.953 -8.860 3.156 1.00 31.04 H new ATOM 0 HG3 LYS A 11 3.550 -7.226 3.644 1.00 31.04 H new ATOM 0 HD2 LYS A 11 5.904 -8.758 4.829 1.00 50.21 H new ATOM 0 HD3 LYS A 11 6.045 -7.780 3.382 1.00 50.21 H new ATOM 0 HE2 LYS A 11 5.257 -5.781 4.729 1.00 22.24 H new ATOM 0 HE3 LYS A 11 5.293 -6.787 6.164 1.00 22.24 H new ATOM 0 HZ1 LYS A 11 7.392 -5.377 5.085 1.00 32.22 H new ATOM 0 HZ2 LYS A 11 7.477 -6.530 6.328 1.00 32.22 H new ATOM 0 HZ3 LYS A 11 7.742 -6.997 4.717 1.00 32.22 H new ATOM 210 N LEU A 12 0.860 -6.631 4.800 1.00 53.04 N ATOM 211 CA LEU A 12 0.180 -5.567 4.022 1.00 64.53 C ATOM 212 C LEU A 12 -0.127 -4.323 4.905 1.00 61.12 C ATOM 213 O LEU A 12 0.235 -3.201 4.557 1.00 43.02 O ATOM 214 CB LEU A 12 -1.103 -6.190 3.365 1.00 15.40 C ATOM 215 CG LEU A 12 -1.939 -5.323 2.345 1.00 64.52 C ATOM 216 CD1 LEU A 12 -2.855 -4.307 3.048 1.00 10.41 C ATOM 217 CD2 LEU A 12 -1.032 -4.627 1.295 1.00 54.43 C ATOM 0 H LEU A 12 0.378 -7.529 4.757 1.00 53.04 H new ATOM 0 HA LEU A 12 0.833 -5.197 3.231 1.00 64.53 H new ATOM 0 HB2 LEU A 12 -0.799 -7.102 2.850 1.00 15.40 H new ATOM 0 HB3 LEU A 12 -1.774 -6.487 4.171 1.00 15.40 H new ATOM 0 HG LEU A 12 -2.585 -6.021 1.813 1.00 64.52 H new ATOM 0 HD11 LEU A 12 -3.407 -3.737 2.301 1.00 10.41 H new ATOM 0 HD12 LEU A 12 -3.557 -4.835 3.693 1.00 10.41 H new ATOM 0 HD13 LEU A 12 -2.251 -3.627 3.649 1.00 10.41 H new ATOM 0 HD21 LEU A 12 -1.648 -4.041 0.613 1.00 54.43 H new ATOM 0 HD22 LEU A 12 -0.326 -3.969 1.803 1.00 54.43 H new ATOM 0 HD23 LEU A 12 -0.483 -5.381 0.731 1.00 54.43 H new ATOM 229 N GLU A 13 -0.773 -4.566 6.055 1.00 52.11 N ATOM 230 CA GLU A 13 -1.132 -3.525 7.049 1.00 34.41 C ATOM 231 C GLU A 13 0.095 -2.745 7.579 1.00 34.22 C ATOM 232 O GLU A 13 0.015 -1.527 7.804 1.00 31.13 O ATOM 233 CB GLU A 13 -1.886 -4.195 8.222 1.00 12.53 C ATOM 234 CG GLU A 13 -3.286 -4.717 7.851 1.00 73.30 C ATOM 235 CD GLU A 13 -4.318 -3.595 7.640 1.00 53.32 C ATOM 236 OE1 GLU A 13 -4.905 -3.135 8.646 1.00 44.04 O ATOM 237 OE2 GLU A 13 -4.531 -3.153 6.488 1.00 53.45 O ATOM 0 H GLU A 13 -1.068 -5.502 6.331 1.00 52.11 H new ATOM 0 HA GLU A 13 -1.767 -2.793 6.550 1.00 34.41 H new ATOM 0 HB2 GLU A 13 -1.288 -5.025 8.598 1.00 12.53 H new ATOM 0 HB3 GLU A 13 -1.981 -3.477 9.036 1.00 12.53 H new ATOM 0 HG2 GLU A 13 -3.215 -5.312 6.940 1.00 73.30 H new ATOM 0 HG3 GLU A 13 -3.639 -5.382 8.639 1.00 73.30 H new ATOM 244 N LYS A 14 1.222 -3.467 7.775 1.00 30.24 N ATOM 245 CA LYS A 14 2.504 -2.863 8.208 1.00 4.42 C ATOM 246 C LYS A 14 2.985 -1.847 7.144 1.00 31.45 C ATOM 247 O LYS A 14 3.377 -0.735 7.483 1.00 64.34 O ATOM 248 CB LYS A 14 3.573 -3.981 8.450 1.00 74.51 C ATOM 249 CG LYS A 14 4.768 -3.613 9.389 1.00 12.32 C ATOM 250 CD LYS A 14 5.838 -2.675 8.769 1.00 73.24 C ATOM 251 CE LYS A 14 6.549 -3.284 7.550 1.00 74.02 C ATOM 252 NZ LYS A 14 7.660 -2.420 7.048 1.00 31.33 N ATOM 0 H LYS A 14 1.269 -4.477 7.639 1.00 30.24 H new ATOM 0 HA LYS A 14 2.358 -2.332 9.149 1.00 4.42 H new ATOM 0 HB2 LYS A 14 3.067 -4.852 8.867 1.00 74.51 H new ATOM 0 HB3 LYS A 14 3.978 -4.280 7.483 1.00 74.51 H new ATOM 0 HG2 LYS A 14 4.370 -3.139 10.286 1.00 12.32 H new ATOM 0 HG3 LYS A 14 5.257 -4.535 9.705 1.00 12.32 H new ATOM 0 HD2 LYS A 14 5.363 -1.739 8.474 1.00 73.24 H new ATOM 0 HD3 LYS A 14 6.580 -2.430 9.529 1.00 73.24 H new ATOM 0 HE2 LYS A 14 6.946 -4.264 7.816 1.00 74.02 H new ATOM 0 HE3 LYS A 14 5.824 -3.440 6.751 1.00 74.02 H new ATOM 0 HZ1 LYS A 14 7.736 -2.517 6.015 1.00 31.33 H new ATOM 0 HZ2 LYS A 14 7.464 -1.428 7.289 1.00 31.33 H new ATOM 0 HZ3 LYS A 14 8.555 -2.713 7.490 1.00 31.33 H new ATOM 266 N ILE A 15 2.911 -2.254 5.856 1.00 64.04 N ATOM 267 CA ILE A 15 3.304 -1.407 4.705 1.00 14.32 C ATOM 268 C ILE A 15 2.456 -0.116 4.656 1.00 43.31 C ATOM 269 O ILE A 15 3.000 0.978 4.592 1.00 2.04 O ATOM 270 CB ILE A 15 3.145 -2.177 3.343 1.00 15.02 C ATOM 271 CG1 ILE A 15 3.904 -3.542 3.381 1.00 60.25 C ATOM 272 CG2 ILE A 15 3.620 -1.306 2.150 1.00 44.24 C ATOM 273 CD1 ILE A 15 3.590 -4.480 2.228 1.00 64.13 C ATOM 0 H ILE A 15 2.577 -3.179 5.585 1.00 64.04 H new ATOM 0 HA ILE A 15 4.354 -1.148 4.844 1.00 14.32 H new ATOM 0 HB ILE A 15 2.085 -2.387 3.199 1.00 15.02 H new ATOM 0 HG12 ILE A 15 4.976 -3.345 3.389 1.00 60.25 H new ATOM 0 HG13 ILE A 15 3.666 -4.048 4.317 1.00 60.25 H new ATOM 0 HG21 ILE A 15 3.499 -1.864 1.221 1.00 44.24 H new ATOM 0 HG22 ILE A 15 3.025 -0.394 2.106 1.00 44.24 H new ATOM 0 HG23 ILE A 15 4.671 -1.048 2.284 1.00 44.24 H new ATOM 0 HD11 ILE A 15 4.163 -5.400 2.341 1.00 64.13 H new ATOM 0 HD12 ILE A 15 2.525 -4.714 2.229 1.00 64.13 H new ATOM 0 HD13 ILE A 15 3.856 -4.000 1.286 1.00 64.13 H new ATOM 285 N LEU A 16 1.118 -0.273 4.716 1.00 23.41 N ATOM 286 CA LEU A 16 0.159 0.862 4.709 1.00 4.23 C ATOM 287 C LEU A 16 0.409 1.844 5.884 1.00 54.54 C ATOM 288 O LEU A 16 0.157 3.042 5.752 1.00 24.34 O ATOM 289 CB LEU A 16 -1.315 0.340 4.720 1.00 24.21 C ATOM 290 CG LEU A 16 -1.932 -0.034 3.326 1.00 51.02 C ATOM 291 CD1 LEU A 16 -1.059 -1.036 2.538 1.00 31.31 C ATOM 292 CD2 LEU A 16 -3.375 -0.568 3.487 1.00 40.13 C ATOM 0 H LEU A 16 0.668 -1.187 4.771 1.00 23.41 H new ATOM 0 HA LEU A 16 0.322 1.419 3.787 1.00 4.23 H new ATOM 0 HB2 LEU A 16 -1.361 -0.540 5.362 1.00 24.21 H new ATOM 0 HB3 LEU A 16 -1.944 1.103 5.179 1.00 24.21 H new ATOM 0 HG LEU A 16 -1.963 0.884 2.740 1.00 51.02 H new ATOM 0 HD11 LEU A 16 -1.534 -1.259 1.582 1.00 31.31 H new ATOM 0 HD12 LEU A 16 -0.075 -0.601 2.362 1.00 31.31 H new ATOM 0 HD13 LEU A 16 -0.952 -1.956 3.113 1.00 31.31 H new ATOM 0 HD21 LEU A 16 -3.781 -0.820 2.507 1.00 40.13 H new ATOM 0 HD22 LEU A 16 -3.365 -1.458 4.116 1.00 40.13 H new ATOM 0 HD23 LEU A 16 -3.997 0.198 3.951 1.00 40.13 H new ATOM 304 N ASP A 17 0.925 1.323 7.014 1.00 4.24 N ATOM 305 CA ASP A 17 1.321 2.154 8.172 1.00 52.25 C ATOM 306 C ASP A 17 2.561 3.018 7.823 1.00 31.45 C ATOM 307 O ASP A 17 2.594 4.210 8.130 1.00 1.45 O ATOM 308 CB ASP A 17 1.591 1.254 9.408 1.00 41.21 C ATOM 309 CG ASP A 17 1.852 2.055 10.694 1.00 60.20 C ATOM 310 OD1 ASP A 17 0.883 2.599 11.264 1.00 41.13 O ATOM 311 OD2 ASP A 17 3.017 2.161 11.132 1.00 55.12 O ATOM 0 H ASP A 17 1.079 0.324 7.151 1.00 4.24 H new ATOM 0 HA ASP A 17 0.503 2.831 8.417 1.00 52.25 H new ATOM 0 HB2 ASP A 17 0.736 0.596 9.564 1.00 41.21 H new ATOM 0 HB3 ASP A 17 2.451 0.616 9.204 1.00 41.21 H new ATOM 316 N GLU A 18 3.549 2.392 7.148 1.00 4.41 N ATOM 317 CA GLU A 18 4.781 3.073 6.663 1.00 55.33 C ATOM 318 C GLU A 18 4.442 4.210 5.660 1.00 74.12 C ATOM 319 O GLU A 18 5.046 5.288 5.692 1.00 1.52 O ATOM 320 CB GLU A 18 5.729 2.060 5.956 1.00 31.30 C ATOM 321 CG GLU A 18 6.058 0.768 6.726 1.00 13.22 C ATOM 322 CD GLU A 18 6.937 0.965 7.970 1.00 40.04 C ATOM 323 OE1 GLU A 18 6.403 1.253 9.061 1.00 65.20 O ATOM 324 OE2 GLU A 18 8.174 0.813 7.864 1.00 2.22 O ATOM 0 H GLU A 18 3.520 1.398 6.921 1.00 4.41 H new ATOM 0 HA GLU A 18 5.274 3.498 7.537 1.00 55.33 H new ATOM 0 HB2 GLU A 18 5.280 1.783 5.002 1.00 31.30 H new ATOM 0 HB3 GLU A 18 6.666 2.570 5.731 1.00 31.30 H new ATOM 0 HG2 GLU A 18 5.124 0.295 7.030 1.00 13.22 H new ATOM 0 HG3 GLU A 18 6.560 0.077 6.049 1.00 13.22 H new ATOM 331 N VAL A 19 3.473 3.931 4.757 1.00 33.54 N ATOM 332 CA VAL A 19 3.086 4.850 3.664 1.00 64.32 C ATOM 333 C VAL A 19 2.278 6.073 4.189 1.00 4.31 C ATOM 334 O VAL A 19 2.551 7.208 3.799 1.00 12.31 O ATOM 335 CB VAL A 19 2.271 4.101 2.533 1.00 33.44 C ATOM 336 CG1 VAL A 19 1.981 5.034 1.341 1.00 35.00 C ATOM 337 CG2 VAL A 19 3.001 2.825 2.042 1.00 2.33 C ATOM 0 H VAL A 19 2.938 3.062 4.767 1.00 33.54 H new ATOM 0 HA VAL A 19 4.014 5.221 3.230 1.00 64.32 H new ATOM 0 HB VAL A 19 1.324 3.798 2.979 1.00 33.44 H new ATOM 0 HG11 VAL A 19 1.420 4.490 0.581 1.00 35.00 H new ATOM 0 HG12 VAL A 19 1.396 5.888 1.682 1.00 35.00 H new ATOM 0 HG13 VAL A 19 2.922 5.384 0.916 1.00 35.00 H new ATOM 0 HG21 VAL A 19 2.407 2.342 1.266 1.00 2.33 H new ATOM 0 HG22 VAL A 19 3.976 3.097 1.637 1.00 2.33 H new ATOM 0 HG23 VAL A 19 3.134 2.138 2.878 1.00 2.33 H new ATOM 347 N THR A 20 1.291 5.826 5.079 1.00 73.25 N ATOM 348 CA THR A 20 0.448 6.907 5.673 1.00 32.21 C ATOM 349 C THR A 20 1.252 7.799 6.649 1.00 4.02 C ATOM 350 O THR A 20 0.992 9.003 6.751 1.00 14.45 O ATOM 351 CB THR A 20 -0.808 6.339 6.425 1.00 4.41 C ATOM 352 OG1 THR A 20 -0.402 5.429 7.468 1.00 3.32 O ATOM 353 CG2 THR A 20 -1.775 5.626 5.464 1.00 61.52 C ATOM 0 H THR A 20 1.053 4.890 5.407 1.00 73.25 H new ATOM 0 HA THR A 20 0.112 7.510 4.829 1.00 32.21 H new ATOM 0 HB THR A 20 -1.332 7.187 6.865 1.00 4.41 H new ATOM 0 HG1 THR A 20 -0.174 4.561 7.074 1.00 3.32 H new ATOM 0 HG21 THR A 20 -2.631 5.247 6.023 1.00 61.52 H new ATOM 0 HG22 THR A 20 -2.119 6.330 4.706 1.00 61.52 H new ATOM 0 HG23 THR A 20 -1.261 4.795 4.981 1.00 61.52 H new ATOM 361 N ASP A 21 2.217 7.194 7.373 1.00 4.53 N ATOM 362 CA ASP A 21 3.138 7.940 8.262 1.00 71.03 C ATOM 363 C ASP A 21 4.148 8.770 7.426 1.00 63.23 C ATOM 364 O ASP A 21 4.452 9.918 7.766 1.00 1.23 O ATOM 365 CB ASP A 21 3.878 6.964 9.219 1.00 33.20 C ATOM 366 CG ASP A 21 4.736 7.673 10.287 1.00 15.53 C ATOM 367 OD1 ASP A 21 4.151 8.242 11.233 1.00 10.22 O ATOM 368 OD2 ASP A 21 5.987 7.675 10.183 1.00 52.02 O ATOM 0 H ASP A 21 2.380 6.187 7.360 1.00 4.53 H new ATOM 0 HA ASP A 21 2.552 8.631 8.868 1.00 71.03 H new ATOM 0 HB2 ASP A 21 3.143 6.331 9.717 1.00 33.20 H new ATOM 0 HB3 ASP A 21 4.517 6.307 8.630 1.00 33.20 H new ATOM 373 N GLY A 22 4.663 8.163 6.340 1.00 70.41 N ATOM 374 CA GLY A 22 5.563 8.849 5.394 1.00 3.03 C ATOM 375 C GLY A 22 4.814 9.828 4.477 1.00 14.45 C ATOM 376 O GLY A 22 4.485 10.939 4.906 1.00 71.40 O ATOM 0 H GLY A 22 4.469 7.192 6.095 1.00 70.41 H new ATOM 0 HA2 GLY A 22 6.327 9.390 5.952 1.00 3.03 H new ATOM 0 HA3 GLY A 22 6.079 8.107 4.784 1.00 3.03 H new ATOM 380 N ALA A 23 4.538 9.388 3.221 1.00 4.41 N ATOM 381 CA ALA A 23 3.734 10.137 2.208 1.00 13.23 C ATOM 382 C ALA A 23 4.308 11.538 1.770 1.00 54.23 C ATOM 383 O ALA A 23 4.957 12.232 2.556 1.00 41.54 O ATOM 384 CB ALA A 23 2.293 10.290 2.712 1.00 23.12 C ATOM 0 H ALA A 23 4.872 8.489 2.874 1.00 4.41 H new ATOM 0 HA ALA A 23 3.780 9.531 1.303 1.00 13.23 H new ATOM 0 HB1 ALA A 23 1.705 10.836 1.974 1.00 23.12 H new ATOM 0 HB2 ALA A 23 1.855 9.304 2.867 1.00 23.12 H new ATOM 0 HB3 ALA A 23 2.293 10.839 3.654 1.00 23.12 H new ATOM 390 N PRO A 24 4.071 11.979 0.483 1.00 33.24 N ATOM 391 CA PRO A 24 4.382 13.365 0.030 1.00 2.40 C ATOM 392 C PRO A 24 3.308 14.402 0.501 1.00 1.25 C ATOM 393 O PRO A 24 2.466 14.835 -0.290 1.00 24.45 O ATOM 394 CB PRO A 24 4.453 13.239 -1.531 1.00 60.13 C ATOM 395 CG PRO A 24 4.290 11.766 -1.825 1.00 43.44 C ATOM 396 CD PRO A 24 3.549 11.178 -0.646 1.00 52.14 C ATOM 0 HA PRO A 24 5.310 13.745 0.457 1.00 2.40 H new ATOM 0 HB2 PRO A 24 3.667 13.824 -2.008 1.00 60.13 H new ATOM 0 HB3 PRO A 24 5.404 13.612 -1.912 1.00 60.13 H new ATOM 0 HG2 PRO A 24 3.733 11.613 -2.750 1.00 43.44 H new ATOM 0 HG3 PRO A 24 5.260 11.285 -1.954 1.00 43.44 H new ATOM 0 HD2 PRO A 24 2.469 11.280 -0.752 1.00 52.14 H new ATOM 0 HD3 PRO A 24 3.758 10.115 -0.522 1.00 52.14 H new ATOM 404 N ASP A 25 3.372 14.752 1.814 1.00 52.34 N ATOM 405 CA ASP A 25 2.490 15.736 2.529 1.00 5.24 C ATOM 406 C ASP A 25 0.975 15.741 2.118 1.00 42.42 C ATOM 407 O ASP A 25 0.141 15.169 2.822 1.00 41.30 O ATOM 408 CB ASP A 25 3.110 17.175 2.548 1.00 42.21 C ATOM 409 CG ASP A 25 3.531 17.723 1.173 1.00 74.21 C ATOM 410 OD1 ASP A 25 4.680 17.474 0.756 1.00 61.11 O ATOM 411 OD2 ASP A 25 2.721 18.404 0.505 1.00 34.12 O ATOM 0 H ASP A 25 4.068 14.342 2.437 1.00 52.34 H new ATOM 0 HA ASP A 25 2.465 15.360 3.552 1.00 5.24 H new ATOM 0 HB2 ASP A 25 2.386 17.860 2.988 1.00 42.21 H new ATOM 0 HB3 ASP A 25 3.982 17.169 3.202 1.00 42.21 H new ATOM 416 N GLU A 26 0.624 16.391 0.989 1.00 5.43 N ATOM 417 CA GLU A 26 -0.788 16.538 0.546 1.00 51.14 C ATOM 418 C GLU A 26 -1.354 15.229 -0.059 1.00 44.40 C ATOM 419 O GLU A 26 -2.551 14.971 0.034 1.00 10.23 O ATOM 420 CB GLU A 26 -0.928 17.705 -0.466 1.00 10.33 C ATOM 421 CG GLU A 26 -0.098 17.551 -1.755 1.00 71.22 C ATOM 422 CD GLU A 26 -0.420 18.620 -2.810 1.00 53.31 C ATOM 423 OE1 GLU A 26 0.210 19.695 -2.798 1.00 74.00 O ATOM 424 OE2 GLU A 26 -1.330 18.395 -3.642 1.00 52.12 O ATOM 0 H GLU A 26 1.300 16.826 0.361 1.00 5.43 H new ATOM 0 HA GLU A 26 -1.377 16.766 1.434 1.00 51.14 H new ATOM 0 HB2 GLU A 26 -1.979 17.806 -0.738 1.00 10.33 H new ATOM 0 HB3 GLU A 26 -0.636 18.632 0.028 1.00 10.33 H new ATOM 0 HG2 GLU A 26 0.962 17.603 -1.506 1.00 71.22 H new ATOM 0 HG3 GLU A 26 -0.278 16.564 -2.180 1.00 71.22 H new ATOM 431 N ALA A 27 -0.478 14.407 -0.671 1.00 1.20 N ATOM 432 CA ALA A 27 -0.862 13.088 -1.227 1.00 1.24 C ATOM 433 C ALA A 27 -1.191 12.056 -0.118 1.00 71.13 C ATOM 434 O ALA A 27 -1.754 11.002 -0.404 1.00 14.22 O ATOM 435 CB ALA A 27 0.247 12.560 -2.148 1.00 64.03 C ATOM 0 H ALA A 27 0.509 14.634 -0.795 1.00 1.20 H new ATOM 0 HA ALA A 27 -1.773 13.230 -1.808 1.00 1.24 H new ATOM 0 HB1 ALA A 27 -0.046 11.590 -2.551 1.00 64.03 H new ATOM 0 HB2 ALA A 27 0.404 13.261 -2.968 1.00 64.03 H new ATOM 0 HB3 ALA A 27 1.171 12.453 -1.580 1.00 64.03 H new ATOM 441 N ARG A 28 -0.837 12.389 1.145 1.00 34.42 N ATOM 442 CA ARG A 28 -1.101 11.538 2.327 1.00 64.24 C ATOM 443 C ARG A 28 -2.599 11.229 2.500 1.00 54.14 C ATOM 444 O ARG A 28 -2.969 10.077 2.705 1.00 42.01 O ATOM 445 CB ARG A 28 -0.571 12.223 3.616 1.00 24.44 C ATOM 446 CG ARG A 28 -0.648 11.351 4.896 1.00 60.44 C ATOM 447 CD ARG A 28 -0.468 12.167 6.185 1.00 22.11 C ATOM 448 NE ARG A 28 -1.541 13.166 6.341 1.00 4.34 N ATOM 449 CZ ARG A 28 -1.578 14.122 7.240 1.00 11.03 C ATOM 450 NH1 ARG A 28 -0.647 14.249 8.138 1.00 44.33 N ATOM 451 NH2 ARG A 28 -2.570 14.944 7.238 1.00 73.02 N ATOM 0 H ARG A 28 -0.358 13.260 1.373 1.00 34.42 H new ATOM 0 HA ARG A 28 -0.577 10.597 2.161 1.00 64.24 H new ATOM 0 HB2 ARG A 28 0.467 12.515 3.455 1.00 24.44 H new ATOM 0 HB3 ARG A 28 -1.138 13.139 3.783 1.00 24.44 H new ATOM 0 HG2 ARG A 28 -1.611 10.842 4.926 1.00 60.44 H new ATOM 0 HG3 ARG A 28 0.120 10.579 4.850 1.00 60.44 H new ATOM 0 HD2 ARG A 28 -0.464 11.497 7.045 1.00 22.11 H new ATOM 0 HD3 ARG A 28 0.499 12.669 6.168 1.00 22.11 H new ATOM 0 HE ARG A 28 -2.326 13.109 5.692 1.00 4.34 H new ATOM 0 HH11 ARG A 28 0.137 13.597 8.156 1.00 44.33 H new ATOM 0 HH12 ARG A 28 -0.700 15.001 8.825 1.00 44.33 H new ATOM 0 HH21 ARG A 28 -3.312 14.847 6.545 1.00 73.02 H new ATOM 0 HH22 ARG A 28 -2.614 15.692 7.930 1.00 73.02 H new ATOM 465 N GLU A 29 -3.455 12.267 2.406 1.00 33.23 N ATOM 466 CA GLU A 29 -4.911 12.121 2.635 1.00 43.55 C ATOM 467 C GLU A 29 -5.593 11.179 1.609 1.00 41.14 C ATOM 468 O GLU A 29 -6.617 10.577 1.921 1.00 14.32 O ATOM 469 CB GLU A 29 -5.612 13.510 2.733 1.00 4.21 C ATOM 470 CG GLU A 29 -5.400 14.499 1.563 1.00 20.20 C ATOM 471 CD GLU A 29 -6.100 14.106 0.249 1.00 2.11 C ATOM 472 OE1 GLU A 29 -7.331 13.887 0.264 1.00 54.22 O ATOM 473 OE2 GLU A 29 -5.432 14.014 -0.800 1.00 5.31 O ATOM 0 H GLU A 29 -3.165 13.217 2.173 1.00 33.23 H new ATOM 0 HA GLU A 29 -5.031 11.631 3.601 1.00 43.55 H new ATOM 0 HB2 GLU A 29 -6.683 13.340 2.840 1.00 4.21 H new ATOM 0 HB3 GLU A 29 -5.273 13.994 3.649 1.00 4.21 H new ATOM 0 HG2 GLU A 29 -5.757 15.483 1.868 1.00 20.20 H new ATOM 0 HG3 GLU A 29 -4.331 14.593 1.374 1.00 20.20 H new ATOM 480 N ARG A 30 -5.027 11.080 0.382 1.00 31.23 N ATOM 481 CA ARG A 30 -5.419 10.040 -0.605 1.00 45.13 C ATOM 482 C ARG A 30 -5.226 8.634 -0.009 1.00 25.44 C ATOM 483 O ARG A 30 -6.140 7.796 -0.016 1.00 64.33 O ATOM 484 CB ARG A 30 -4.552 10.148 -1.898 1.00 52.55 C ATOM 485 CG ARG A 30 -4.821 11.364 -2.803 1.00 52.35 C ATOM 486 CD ARG A 30 -6.271 11.402 -3.345 1.00 62.42 C ATOM 487 NE ARG A 30 -7.207 12.091 -2.431 1.00 72.05 N ATOM 488 CZ ARG A 30 -8.497 12.244 -2.631 1.00 63.01 C ATOM 489 NH1 ARG A 30 -9.097 11.702 -3.653 1.00 42.24 N ATOM 490 NH2 ARG A 30 -9.191 12.940 -1.791 1.00 1.43 N ATOM 0 H ARG A 30 -4.296 11.709 0.050 1.00 31.23 H new ATOM 0 HA ARG A 30 -6.468 10.201 -0.852 1.00 45.13 H new ATOM 0 HB2 ARG A 30 -3.502 10.166 -1.605 1.00 52.55 H new ATOM 0 HB3 ARG A 30 -4.703 9.244 -2.487 1.00 52.55 H new ATOM 0 HG2 ARG A 30 -4.624 12.278 -2.243 1.00 52.35 H new ATOM 0 HG3 ARG A 30 -4.125 11.347 -3.642 1.00 52.35 H new ATOM 0 HD2 ARG A 30 -6.279 11.904 -4.312 1.00 62.42 H new ATOM 0 HD3 ARG A 30 -6.618 10.382 -3.512 1.00 62.42 H new ATOM 0 HE ARG A 30 -6.819 12.481 -1.572 1.00 72.05 H new ATOM 0 HH11 ARG A 30 -8.564 11.144 -4.320 1.00 42.24 H new ATOM 0 HH12 ARG A 30 -10.099 11.836 -3.786 1.00 42.24 H new ATOM 0 HH21 ARG A 30 -8.737 13.364 -0.982 1.00 1.43 H new ATOM 0 HH22 ARG A 30 -10.193 13.065 -1.937 1.00 1.43 H new ATOM 504 N ILE A 31 -4.012 8.425 0.523 1.00 31.01 N ATOM 505 CA ILE A 31 -3.557 7.132 1.047 1.00 53.44 C ATOM 506 C ILE A 31 -4.378 6.699 2.285 1.00 42.41 C ATOM 507 O ILE A 31 -4.781 5.552 2.383 1.00 54.34 O ATOM 508 CB ILE A 31 -2.031 7.196 1.436 1.00 70.22 C ATOM 509 CG1 ILE A 31 -1.202 7.850 0.282 1.00 3.10 C ATOM 510 CG2 ILE A 31 -1.487 5.788 1.798 1.00 74.12 C ATOM 511 CD1 ILE A 31 0.249 8.157 0.601 1.00 61.30 C ATOM 0 H ILE A 31 -3.310 9.161 0.601 1.00 31.01 H new ATOM 0 HA ILE A 31 -3.703 6.396 0.256 1.00 53.44 H new ATOM 0 HB ILE A 31 -1.927 7.821 2.323 1.00 70.22 H new ATOM 0 HG12 ILE A 31 -1.231 7.186 -0.582 1.00 3.10 H new ATOM 0 HG13 ILE A 31 -1.693 8.777 -0.012 1.00 3.10 H new ATOM 0 HG21 ILE A 31 -0.432 5.862 2.062 1.00 74.12 H new ATOM 0 HG22 ILE A 31 -2.046 5.389 2.644 1.00 74.12 H new ATOM 0 HG23 ILE A 31 -1.601 5.123 0.942 1.00 74.12 H new ATOM 0 HD11 ILE A 31 0.726 8.607 -0.270 1.00 61.30 H new ATOM 0 HD12 ILE A 31 0.298 8.850 1.441 1.00 61.30 H new ATOM 0 HD13 ILE A 31 0.767 7.234 0.862 1.00 61.30 H new ATOM 523 N GLU A 32 -4.616 7.656 3.210 1.00 24.12 N ATOM 524 CA GLU A 32 -5.322 7.409 4.497 1.00 22.13 C ATOM 525 C GLU A 32 -6.776 6.918 4.282 1.00 44.25 C ATOM 526 O GLU A 32 -7.252 6.023 4.999 1.00 22.31 O ATOM 527 CB GLU A 32 -5.307 8.707 5.359 1.00 24.44 C ATOM 528 CG GLU A 32 -3.891 9.220 5.717 1.00 0.34 C ATOM 529 CD GLU A 32 -3.887 10.529 6.533 1.00 62.11 C ATOM 530 OE1 GLU A 32 -4.157 11.607 5.955 1.00 31.20 O ATOM 531 OE2 GLU A 32 -3.618 10.489 7.754 1.00 61.23 O ATOM 0 H GLU A 32 -4.325 8.626 3.089 1.00 24.12 H new ATOM 0 HA GLU A 32 -4.792 6.614 5.022 1.00 22.13 H new ATOM 0 HB2 GLU A 32 -5.839 9.492 4.822 1.00 24.44 H new ATOM 0 HB3 GLU A 32 -5.857 8.522 6.282 1.00 24.44 H new ATOM 0 HG2 GLU A 32 -3.369 8.449 6.283 1.00 0.34 H new ATOM 0 HG3 GLU A 32 -3.328 9.376 4.797 1.00 0.34 H new ATOM 538 N LYS A 33 -7.467 7.517 3.297 1.00 63.22 N ATOM 539 CA LYS A 33 -8.839 7.120 2.904 1.00 11.15 C ATOM 540 C LYS A 33 -8.865 5.670 2.349 1.00 55.31 C ATOM 541 O LYS A 33 -9.594 4.812 2.859 1.00 1.32 O ATOM 542 CB LYS A 33 -9.394 8.115 1.846 1.00 4.53 C ATOM 543 CG LYS A 33 -9.567 9.566 2.360 1.00 43.43 C ATOM 544 CD LYS A 33 -9.944 10.561 1.232 1.00 34.45 C ATOM 545 CE LYS A 33 -10.100 12.008 1.734 1.00 10.21 C ATOM 546 NZ LYS A 33 -8.857 12.528 2.357 1.00 50.41 N ATOM 0 H LYS A 33 -7.094 8.291 2.748 1.00 63.22 H new ATOM 0 HA LYS A 33 -9.473 7.150 3.790 1.00 11.15 H new ATOM 0 HB2 LYS A 33 -8.723 8.124 0.987 1.00 4.53 H new ATOM 0 HB3 LYS A 33 -10.359 7.750 1.493 1.00 4.53 H new ATOM 0 HG2 LYS A 33 -10.340 9.585 3.128 1.00 43.43 H new ATOM 0 HG3 LYS A 33 -8.640 9.893 2.832 1.00 43.43 H new ATOM 0 HD2 LYS A 33 -9.177 10.531 0.458 1.00 34.45 H new ATOM 0 HD3 LYS A 33 -10.877 10.240 0.769 1.00 34.45 H new ATOM 0 HE2 LYS A 33 -10.381 12.651 0.900 1.00 10.21 H new ATOM 0 HE3 LYS A 33 -10.913 12.053 2.459 1.00 10.21 H new ATOM 0 HZ1 LYS A 33 -9.034 12.740 3.360 1.00 50.41 H new ATOM 0 HZ2 LYS A 33 -8.105 11.813 2.281 1.00 50.41 H new ATOM 0 HZ3 LYS A 33 -8.560 13.396 1.867 1.00 50.41 H new ATOM 560 N LEU A 34 -8.020 5.415 1.332 1.00 23.42 N ATOM 561 CA LEU A 34 -7.965 4.111 0.623 1.00 21.12 C ATOM 562 C LEU A 34 -7.458 2.963 1.537 1.00 65.15 C ATOM 563 O LEU A 34 -7.933 1.825 1.443 1.00 74.02 O ATOM 564 CB LEU A 34 -7.075 4.245 -0.642 1.00 33.53 C ATOM 565 CG LEU A 34 -7.033 3.007 -1.600 1.00 74.43 C ATOM 566 CD1 LEU A 34 -8.448 2.645 -2.118 1.00 60.12 C ATOM 567 CD2 LEU A 34 -6.055 3.253 -2.772 1.00 13.34 C ATOM 0 H LEU A 34 -7.356 6.102 0.975 1.00 23.42 H new ATOM 0 HA LEU A 34 -8.980 3.846 0.327 1.00 21.12 H new ATOM 0 HB2 LEU A 34 -7.421 5.107 -1.213 1.00 33.53 H new ATOM 0 HB3 LEU A 34 -6.056 4.463 -0.321 1.00 33.53 H new ATOM 0 HG LEU A 34 -6.667 2.154 -1.028 1.00 74.43 H new ATOM 0 HD11 LEU A 34 -8.383 1.782 -2.780 1.00 60.12 H new ATOM 0 HD12 LEU A 34 -9.095 2.407 -1.274 1.00 60.12 H new ATOM 0 HD13 LEU A 34 -8.863 3.492 -2.665 1.00 60.12 H new ATOM 0 HD21 LEU A 34 -6.042 2.380 -3.424 1.00 13.34 H new ATOM 0 HD22 LEU A 34 -6.379 4.125 -3.339 1.00 13.34 H new ATOM 0 HD23 LEU A 34 -5.053 3.427 -2.379 1.00 13.34 H new ATOM 579 N ALA A 35 -6.510 3.297 2.434 1.00 41.14 N ATOM 580 CA ALA A 35 -5.922 2.345 3.408 1.00 21.41 C ATOM 581 C ALA A 35 -6.985 1.798 4.378 1.00 44.32 C ATOM 582 O ALA A 35 -6.917 0.636 4.786 1.00 42.34 O ATOM 583 CB ALA A 35 -4.775 3.008 4.194 1.00 13.50 C ATOM 0 H ALA A 35 -6.126 4.239 2.507 1.00 41.14 H new ATOM 0 HA ALA A 35 -5.521 1.505 2.841 1.00 21.41 H new ATOM 0 HB1 ALA A 35 -4.358 2.292 4.903 1.00 13.50 H new ATOM 0 HB2 ALA A 35 -3.997 3.328 3.501 1.00 13.50 H new ATOM 0 HB3 ALA A 35 -5.157 3.873 4.735 1.00 13.50 H new ATOM 589 N LYS A 36 -7.974 2.654 4.732 1.00 22.13 N ATOM 590 CA LYS A 36 -9.115 2.253 5.577 1.00 1.42 C ATOM 591 C LYS A 36 -10.010 1.230 4.841 1.00 21.15 C ATOM 592 O LYS A 36 -10.372 0.209 5.415 1.00 0.52 O ATOM 593 CB LYS A 36 -9.964 3.482 6.004 1.00 3.51 C ATOM 594 CG LYS A 36 -11.124 3.111 6.953 1.00 41.41 C ATOM 595 CD LYS A 36 -12.045 4.288 7.322 1.00 13.02 C ATOM 596 CE LYS A 36 -13.165 3.848 8.285 1.00 61.32 C ATOM 597 NZ LYS A 36 -13.996 2.739 7.722 1.00 71.20 N ATOM 0 H LYS A 36 -8.000 3.631 4.441 1.00 22.13 H new ATOM 0 HA LYS A 36 -8.707 1.788 6.474 1.00 1.42 H new ATOM 0 HB2 LYS A 36 -9.318 4.210 6.495 1.00 3.51 H new ATOM 0 HB3 LYS A 36 -10.369 3.964 5.114 1.00 3.51 H new ATOM 0 HG2 LYS A 36 -11.723 2.329 6.486 1.00 41.41 H new ATOM 0 HG3 LYS A 36 -10.708 2.690 7.868 1.00 41.41 H new ATOM 0 HD2 LYS A 36 -11.457 5.081 7.784 1.00 13.02 H new ATOM 0 HD3 LYS A 36 -12.485 4.705 6.416 1.00 13.02 H new ATOM 0 HE2 LYS A 36 -12.724 3.525 9.228 1.00 61.32 H new ATOM 0 HE3 LYS A 36 -13.805 4.701 8.508 1.00 61.32 H new ATOM 0 HZ1 LYS A 36 -14.832 2.592 8.323 1.00 71.20 H new ATOM 0 HZ2 LYS A 36 -14.301 2.988 6.759 1.00 71.20 H new ATOM 0 HZ3 LYS A 36 -13.434 1.865 7.692 1.00 71.20 H new ATOM 611 N ASP A 37 -10.323 1.506 3.552 1.00 35.33 N ATOM 612 CA ASP A 37 -11.148 0.605 2.698 1.00 14.31 C ATOM 613 C ASP A 37 -10.535 -0.812 2.592 1.00 24.35 C ATOM 614 O ASP A 37 -11.259 -1.804 2.449 1.00 13.13 O ATOM 615 CB ASP A 37 -11.343 1.214 1.283 1.00 13.22 C ATOM 616 CG ASP A 37 -12.084 2.559 1.321 1.00 11.32 C ATOM 617 OD1 ASP A 37 -13.257 2.587 1.768 1.00 25.42 O ATOM 618 OD2 ASP A 37 -11.508 3.597 0.926 1.00 3.35 O ATOM 0 H ASP A 37 -10.015 2.353 3.074 1.00 35.33 H new ATOM 0 HA ASP A 37 -12.122 0.509 3.179 1.00 14.31 H new ATOM 0 HB2 ASP A 37 -10.369 1.352 0.813 1.00 13.22 H new ATOM 0 HB3 ASP A 37 -11.901 0.513 0.662 1.00 13.22 H new ATOM 623 N VAL A 38 -9.191 -0.884 2.670 1.00 22.33 N ATOM 624 CA VAL A 38 -8.461 -2.168 2.717 1.00 52.31 C ATOM 625 C VAL A 38 -8.739 -2.914 4.052 1.00 14.01 C ATOM 626 O VAL A 38 -9.021 -4.106 4.048 1.00 44.55 O ATOM 627 CB VAL A 38 -6.908 -1.977 2.520 1.00 12.24 C ATOM 628 CG1 VAL A 38 -6.173 -3.335 2.498 1.00 74.14 C ATOM 629 CG2 VAL A 38 -6.592 -1.156 1.245 1.00 4.33 C ATOM 0 H VAL A 38 -8.586 -0.063 2.702 1.00 22.33 H new ATOM 0 HA VAL A 38 -8.830 -2.771 1.887 1.00 52.31 H new ATOM 0 HB VAL A 38 -6.542 -1.411 3.377 1.00 12.24 H new ATOM 0 HG11 VAL A 38 -5.105 -3.168 2.361 1.00 74.14 H new ATOM 0 HG12 VAL A 38 -6.341 -3.855 3.441 1.00 74.14 H new ATOM 0 HG13 VAL A 38 -6.554 -3.942 1.677 1.00 74.14 H new ATOM 0 HG21 VAL A 38 -5.513 -1.045 1.142 1.00 4.33 H new ATOM 0 HG22 VAL A 38 -6.988 -1.674 0.371 1.00 4.33 H new ATOM 0 HG23 VAL A 38 -7.052 -0.171 1.323 1.00 4.33 H new ATOM 639 N LYS A 39 -8.687 -2.185 5.183 1.00 25.00 N ATOM 640 CA LYS A 39 -8.948 -2.746 6.541 1.00 55.42 C ATOM 641 C LYS A 39 -10.405 -3.272 6.681 1.00 10.54 C ATOM 642 O LYS A 39 -10.658 -4.279 7.349 1.00 44.42 O ATOM 643 CB LYS A 39 -8.683 -1.655 7.610 1.00 33.13 C ATOM 644 CG LYS A 39 -7.276 -1.031 7.539 1.00 40.31 C ATOM 645 CD LYS A 39 -7.069 0.137 8.534 1.00 53.22 C ATOM 646 CE LYS A 39 -5.642 0.708 8.467 1.00 2.14 C ATOM 647 NZ LYS A 39 -4.629 -0.321 8.804 1.00 54.12 N ATOM 0 H LYS A 39 -8.464 -1.190 5.191 1.00 25.00 H new ATOM 0 HA LYS A 39 -8.275 -3.590 6.690 1.00 55.42 H new ATOM 0 HB2 LYS A 39 -9.425 -0.864 7.498 1.00 33.13 H new ATOM 0 HB3 LYS A 39 -8.826 -2.089 8.600 1.00 33.13 H new ATOM 0 HG2 LYS A 39 -6.534 -1.804 7.738 1.00 40.31 H new ATOM 0 HG3 LYS A 39 -7.097 -0.671 6.526 1.00 40.31 H new ATOM 0 HD2 LYS A 39 -7.786 0.929 8.317 1.00 53.22 H new ATOM 0 HD3 LYS A 39 -7.273 -0.210 9.547 1.00 53.22 H new ATOM 0 HE2 LYS A 39 -5.450 1.095 7.466 1.00 2.14 H new ATOM 0 HE3 LYS A 39 -5.552 1.548 9.156 1.00 2.14 H new ATOM 0 HZ1 LYS A 39 -4.040 0.017 9.592 1.00 54.12 H new ATOM 0 HZ2 LYS A 39 -5.108 -1.201 9.082 1.00 54.12 H new ATOM 0 HZ3 LYS A 39 -4.028 -0.501 7.975 1.00 54.12 H new ATOM 661 N ASP A 40 -11.346 -2.548 6.048 1.00 51.14 N ATOM 662 CA ASP A 40 -12.766 -2.939 5.946 1.00 32.43 C ATOM 663 C ASP A 40 -12.937 -4.270 5.138 1.00 61.22 C ATOM 664 O ASP A 40 -13.863 -5.044 5.394 1.00 10.45 O ATOM 665 CB ASP A 40 -13.584 -1.759 5.326 1.00 15.33 C ATOM 666 CG ASP A 40 -13.725 -0.524 6.262 1.00 21.23 C ATOM 667 OD1 ASP A 40 -12.736 -0.115 6.908 1.00 30.44 O ATOM 668 OD2 ASP A 40 -14.829 0.053 6.357 1.00 41.44 O ATOM 0 H ASP A 40 -11.140 -1.662 5.586 1.00 51.14 H new ATOM 0 HA ASP A 40 -13.156 -3.140 6.944 1.00 32.43 H new ATOM 0 HB2 ASP A 40 -13.104 -1.446 4.399 1.00 15.33 H new ATOM 0 HB3 ASP A 40 -14.579 -2.119 5.064 1.00 15.33 H new ATOM 673 N GLU A 41 -12.023 -4.517 4.170 1.00 63.43 N ATOM 674 CA GLU A 41 -11.924 -5.817 3.451 1.00 43.15 C ATOM 675 C GLU A 41 -11.396 -6.951 4.374 1.00 4.31 C ATOM 676 O GLU A 41 -11.898 -8.083 4.314 1.00 24.12 O ATOM 677 CB GLU A 41 -11.008 -5.684 2.201 1.00 32.15 C ATOM 678 CG GLU A 41 -11.603 -4.853 1.048 1.00 24.40 C ATOM 679 CD GLU A 41 -12.773 -5.558 0.342 1.00 25.24 C ATOM 680 OE1 GLU A 41 -12.535 -6.610 -0.291 1.00 20.44 O ATOM 681 OE2 GLU A 41 -13.919 -5.059 0.396 1.00 45.22 O ATOM 0 H GLU A 41 -11.336 -3.828 3.864 1.00 63.43 H new ATOM 0 HA GLU A 41 -12.931 -6.085 3.132 1.00 43.15 H new ATOM 0 HB2 GLU A 41 -10.064 -5.232 2.506 1.00 32.15 H new ATOM 0 HB3 GLU A 41 -10.778 -6.682 1.829 1.00 32.15 H new ATOM 0 HG2 GLU A 41 -11.945 -3.894 1.437 1.00 24.40 H new ATOM 0 HG3 GLU A 41 -10.821 -4.640 0.319 1.00 24.40 H new ATOM 688 N LEU A 42 -10.381 -6.644 5.218 1.00 42.34 N ATOM 689 CA LEU A 42 -9.840 -7.619 6.218 1.00 61.23 C ATOM 690 C LEU A 42 -10.918 -8.077 7.248 1.00 22.32 C ATOM 691 O LEU A 42 -10.812 -9.170 7.824 1.00 3.34 O ATOM 692 CB LEU A 42 -8.581 -7.064 6.968 1.00 63.33 C ATOM 693 CG LEU A 42 -7.198 -7.231 6.244 1.00 52.52 C ATOM 694 CD1 LEU A 42 -7.052 -6.297 5.036 1.00 10.32 C ATOM 695 CD2 LEU A 42 -6.022 -7.046 7.227 1.00 43.43 C ATOM 0 H LEU A 42 -9.917 -5.736 5.233 1.00 42.34 H new ATOM 0 HA LEU A 42 -9.535 -8.491 5.640 1.00 61.23 H new ATOM 0 HB2 LEU A 42 -8.739 -6.003 7.159 1.00 63.33 H new ATOM 0 HB3 LEU A 42 -8.519 -7.556 7.938 1.00 63.33 H new ATOM 0 HG LEU A 42 -7.169 -8.252 5.864 1.00 52.52 H new ATOM 0 HD11 LEU A 42 -6.078 -6.453 4.571 1.00 10.32 H new ATOM 0 HD12 LEU A 42 -7.838 -6.513 4.312 1.00 10.32 H new ATOM 0 HD13 LEU A 42 -7.136 -5.261 5.365 1.00 10.32 H new ATOM 0 HD21 LEU A 42 -5.079 -7.168 6.694 1.00 43.43 H new ATOM 0 HD22 LEU A 42 -6.066 -6.048 7.663 1.00 43.43 H new ATOM 0 HD23 LEU A 42 -6.090 -7.791 8.020 1.00 43.43 H new ATOM 707 N GLU A 43 -11.943 -7.234 7.470 1.00 72.24 N ATOM 708 CA GLU A 43 -13.086 -7.543 8.370 1.00 63.42 C ATOM 709 C GLU A 43 -13.944 -8.741 7.878 1.00 35.22 C ATOM 710 O GLU A 43 -14.501 -9.482 8.688 1.00 71.54 O ATOM 711 CB GLU A 43 -13.986 -6.286 8.519 1.00 13.43 C ATOM 712 CG GLU A 43 -13.341 -5.108 9.275 1.00 4.33 C ATOM 713 CD GLU A 43 -13.147 -5.390 10.778 1.00 22.25 C ATOM 714 OE1 GLU A 43 -14.133 -5.296 11.536 1.00 40.15 O ATOM 715 OE2 GLU A 43 -12.020 -5.702 11.209 1.00 75.14 O ATOM 0 H GLU A 43 -12.009 -6.315 7.032 1.00 72.24 H new ATOM 0 HA GLU A 43 -12.663 -7.830 9.333 1.00 63.42 H new ATOM 0 HB2 GLU A 43 -14.275 -5.945 7.525 1.00 13.43 H new ATOM 0 HB3 GLU A 43 -14.901 -6.573 9.037 1.00 13.43 H new ATOM 0 HG2 GLU A 43 -12.374 -4.881 8.826 1.00 4.33 H new ATOM 0 HG3 GLU A 43 -13.964 -4.222 9.155 1.00 4.33 H new ATOM 756 N ALA A 47 -7.680 -9.294 1.434 1.00 3.21 N ATOM 757 CA ALA A 47 -7.604 -8.072 0.610 1.00 20.22 C ATOM 758 C ALA A 47 -6.766 -8.311 -0.677 1.00 10.12 C ATOM 759 O ALA A 47 -5.991 -7.445 -1.075 1.00 40.34 O ATOM 760 CB ALA A 47 -7.008 -6.960 1.491 1.00 65.13 C ATOM 0 HA ALA A 47 -8.596 -7.778 0.267 1.00 20.22 H new ATOM 0 HB1 ALA A 47 -6.936 -6.038 0.914 1.00 65.13 H new ATOM 0 HB2 ALA A 47 -7.651 -6.798 2.356 1.00 65.13 H new ATOM 0 HB3 ALA A 47 -6.014 -7.256 1.828 1.00 65.13 H new ATOM 766 N LYS A 48 -6.980 -9.482 -1.337 1.00 41.41 N ATOM 767 CA LYS A 48 -6.255 -9.891 -2.585 1.00 14.44 C ATOM 768 C LYS A 48 -6.233 -8.770 -3.660 1.00 42.04 C ATOM 769 O LYS A 48 -5.160 -8.325 -4.085 1.00 55.45 O ATOM 770 CB LYS A 48 -6.925 -11.163 -3.189 1.00 25.21 C ATOM 771 CG LYS A 48 -6.425 -11.563 -4.599 1.00 1.44 C ATOM 772 CD LYS A 48 -7.276 -12.682 -5.250 1.00 34.12 C ATOM 773 CE LYS A 48 -6.919 -12.897 -6.729 1.00 65.42 C ATOM 774 NZ LYS A 48 -7.166 -11.680 -7.544 1.00 75.02 N ATOM 0 H LYS A 48 -7.660 -10.174 -1.023 1.00 41.41 H new ATOM 0 HA LYS A 48 -5.223 -10.096 -2.301 1.00 14.44 H new ATOM 0 HB2 LYS A 48 -6.758 -12.000 -2.511 1.00 25.21 H new ATOM 0 HB3 LYS A 48 -8.002 -11.000 -3.235 1.00 25.21 H new ATOM 0 HG2 LYS A 48 -6.435 -10.685 -5.244 1.00 1.44 H new ATOM 0 HG3 LYS A 48 -5.389 -11.896 -4.530 1.00 1.44 H new ATOM 0 HD2 LYS A 48 -7.128 -13.613 -4.703 1.00 34.12 H new ATOM 0 HD3 LYS A 48 -8.333 -12.428 -5.166 1.00 34.12 H new ATOM 0 HE2 LYS A 48 -5.870 -13.181 -6.811 1.00 65.42 H new ATOM 0 HE3 LYS A 48 -7.506 -13.725 -7.127 1.00 65.42 H new ATOM 0 HZ1 LYS A 48 -7.160 -11.931 -8.553 1.00 75.02 H new ATOM 0 HZ2 LYS A 48 -8.091 -11.276 -7.293 1.00 75.02 H new ATOM 0 HZ3 LYS A 48 -6.420 -10.980 -7.357 1.00 75.02 H new ATOM 788 N ASN A 49 -7.442 -8.319 -4.055 1.00 52.23 N ATOM 789 CA ASN A 49 -7.639 -7.244 -5.055 1.00 53.25 C ATOM 790 C ASN A 49 -6.986 -5.923 -4.592 1.00 25.44 C ATOM 791 O ASN A 49 -6.408 -5.191 -5.391 1.00 35.54 O ATOM 792 CB ASN A 49 -9.162 -7.039 -5.293 1.00 23.35 C ATOM 793 CG ASN A 49 -9.512 -5.914 -6.279 1.00 43.05 C ATOM 794 OD1 ASN A 49 -8.812 -5.677 -7.261 1.00 3.12 O ATOM 795 ND2 ASN A 49 -10.595 -5.200 -6.014 1.00 22.43 N ATOM 0 H ASN A 49 -8.317 -8.692 -3.687 1.00 52.23 H new ATOM 0 HA ASN A 49 -7.158 -7.541 -5.987 1.00 53.25 H new ATOM 0 HB2 ASN A 49 -9.587 -7.972 -5.662 1.00 23.35 H new ATOM 0 HB3 ASN A 49 -9.640 -6.827 -4.337 1.00 23.35 H new ATOM 0 HD21 ASN A 49 -10.864 -4.434 -6.631 1.00 22.43 H new ATOM 0 HD22 ASN A 49 -11.160 -5.416 -5.193 1.00 22.43 H new ATOM 802 N MET A 50 -7.062 -5.674 -3.279 1.00 30.53 N ATOM 803 CA MET A 50 -6.601 -4.425 -2.648 1.00 61.40 C ATOM 804 C MET A 50 -5.063 -4.294 -2.675 1.00 74.51 C ATOM 805 O MET A 50 -4.551 -3.191 -2.768 1.00 74.53 O ATOM 806 CB MET A 50 -7.136 -4.343 -1.201 1.00 20.23 C ATOM 807 CG MET A 50 -8.639 -4.626 -1.086 1.00 60.40 C ATOM 808 SD MET A 50 -9.667 -3.432 -1.968 1.00 62.51 S ATOM 809 CE MET A 50 -9.515 -2.004 -0.903 1.00 4.43 C ATOM 0 H MET A 50 -7.450 -6.342 -2.613 1.00 30.53 H new ATOM 0 HA MET A 50 -6.998 -3.590 -3.225 1.00 61.40 H new ATOM 0 HB2 MET A 50 -6.592 -5.055 -0.580 1.00 20.23 H new ATOM 0 HB3 MET A 50 -6.930 -3.350 -0.802 1.00 20.23 H new ATOM 0 HG2 MET A 50 -8.843 -5.625 -1.472 1.00 60.40 H new ATOM 0 HG3 MET A 50 -8.921 -4.628 -0.033 1.00 60.40 H new ATOM 0 HE1 MET A 50 -10.368 -1.343 -1.056 1.00 4.43 H new ATOM 0 HE2 MET A 50 -9.488 -2.327 0.138 1.00 4.43 H new ATOM 0 HE3 MET A 50 -8.595 -1.469 -1.140 1.00 4.43 H new ATOM 819 N ILE A 51 -4.341 -5.429 -2.608 1.00 21.11 N ATOM 820 CA ILE A 51 -2.855 -5.451 -2.735 1.00 63.14 C ATOM 821 C ILE A 51 -2.439 -5.093 -4.185 1.00 60.31 C ATOM 822 O ILE A 51 -1.495 -4.321 -4.414 1.00 55.13 O ATOM 823 CB ILE A 51 -2.266 -6.865 -2.361 1.00 34.44 C ATOM 824 CG1 ILE A 51 -2.785 -7.332 -0.964 1.00 61.12 C ATOM 825 CG2 ILE A 51 -0.708 -6.862 -2.395 1.00 60.43 C ATOM 826 CD1 ILE A 51 -2.479 -8.781 -0.635 1.00 75.23 C ATOM 0 H ILE A 51 -4.756 -6.350 -2.466 1.00 21.11 H new ATOM 0 HA ILE A 51 -2.453 -4.713 -2.040 1.00 63.14 H new ATOM 0 HB ILE A 51 -2.613 -7.574 -3.112 1.00 34.44 H new ATOM 0 HG12 ILE A 51 -2.345 -6.697 -0.195 1.00 61.12 H new ATOM 0 HG13 ILE A 51 -3.864 -7.182 -0.922 1.00 61.12 H new ATOM 0 HG21 ILE A 51 -0.336 -7.852 -2.132 1.00 60.43 H new ATOM 0 HG22 ILE A 51 -0.366 -6.600 -3.396 1.00 60.43 H new ATOM 0 HG23 ILE A 51 -0.330 -6.131 -1.680 1.00 60.43 H new ATOM 0 HD11 ILE A 51 -2.874 -9.021 0.352 1.00 75.23 H new ATOM 0 HD12 ILE A 51 -2.942 -9.429 -1.379 1.00 75.23 H new ATOM 0 HD13 ILE A 51 -1.400 -8.935 -0.641 1.00 75.23 H new ATOM 838 N GLU A 52 -3.186 -5.671 -5.148 1.00 53.24 N ATOM 839 CA GLU A 52 -2.983 -5.442 -6.594 1.00 34.32 C ATOM 840 C GLU A 52 -3.203 -3.953 -6.965 1.00 43.43 C ATOM 841 O GLU A 52 -2.339 -3.314 -7.585 1.00 41.05 O ATOM 842 CB GLU A 52 -3.961 -6.342 -7.413 1.00 25.22 C ATOM 843 CG GLU A 52 -3.857 -7.859 -7.122 1.00 1.12 C ATOM 844 CD GLU A 52 -4.810 -8.727 -7.960 1.00 51.10 C ATOM 845 OE1 GLU A 52 -4.472 -9.033 -9.128 1.00 73.03 O ATOM 846 OE2 GLU A 52 -5.893 -9.111 -7.463 1.00 71.13 O ATOM 0 H GLU A 52 -3.951 -6.313 -4.943 1.00 53.24 H new ATOM 0 HA GLU A 52 -1.953 -5.703 -6.838 1.00 34.32 H new ATOM 0 HB2 GLU A 52 -4.982 -6.018 -7.212 1.00 25.22 H new ATOM 0 HB3 GLU A 52 -3.778 -6.178 -8.475 1.00 25.22 H new ATOM 0 HG2 GLU A 52 -2.833 -8.183 -7.305 1.00 1.12 H new ATOM 0 HG3 GLU A 52 -4.062 -8.030 -6.065 1.00 1.12 H new ATOM 853 N LYS A 53 -4.366 -3.411 -6.545 1.00 24.44 N ATOM 854 CA LYS A 53 -4.823 -2.059 -6.956 1.00 25.42 C ATOM 855 C LYS A 53 -4.077 -0.936 -6.192 1.00 65.31 C ATOM 856 O LYS A 53 -3.681 0.051 -6.803 1.00 64.03 O ATOM 857 CB LYS A 53 -6.385 -1.936 -6.854 1.00 60.22 C ATOM 858 CG LYS A 53 -7.028 -2.072 -5.439 1.00 11.41 C ATOM 859 CD LYS A 53 -7.187 -0.749 -4.627 1.00 14.15 C ATOM 860 CE LYS A 53 -8.314 0.180 -5.141 1.00 4.42 C ATOM 861 NZ LYS A 53 -8.046 0.742 -6.494 1.00 52.34 N ATOM 0 H LYS A 53 -5.012 -3.890 -5.917 1.00 24.44 H new ATOM 0 HA LYS A 53 -4.564 -1.924 -8.006 1.00 25.42 H new ATOM 0 HB2 LYS A 53 -6.673 -0.968 -7.263 1.00 60.22 H new ATOM 0 HB3 LYS A 53 -6.825 -2.698 -7.498 1.00 60.22 H new ATOM 0 HG2 LYS A 53 -8.013 -2.526 -5.552 1.00 11.41 H new ATOM 0 HG3 LYS A 53 -6.424 -2.764 -4.853 1.00 11.41 H new ATOM 0 HD2 LYS A 53 -7.384 -0.997 -3.584 1.00 14.15 H new ATOM 0 HD3 LYS A 53 -6.243 -0.205 -4.652 1.00 14.15 H new ATOM 0 HE2 LYS A 53 -9.251 -0.377 -5.166 1.00 4.42 H new ATOM 0 HE3 LYS A 53 -8.449 1.000 -4.435 1.00 4.42 H new ATOM 0 HZ1 LYS A 53 -8.632 1.588 -6.641 1.00 52.34 H new ATOM 0 HZ2 LYS A 53 -7.041 0.999 -6.570 1.00 52.34 H new ATOM 0 HZ3 LYS A 53 -8.277 0.031 -7.217 1.00 52.34 H new ATOM 875 N PHE A 54 -3.847 -1.120 -4.867 1.00 43.03 N ATOM 876 CA PHE A 54 -3.172 -0.100 -4.012 1.00 31.55 C ATOM 877 C PHE A 54 -1.739 0.205 -4.511 1.00 11.13 C ATOM 878 O PHE A 54 -1.284 1.351 -4.429 1.00 21.10 O ATOM 879 CB PHE A 54 -3.144 -0.554 -2.521 1.00 73.24 C ATOM 880 CG PHE A 54 -2.518 0.456 -1.545 1.00 23.34 C ATOM 881 CD1 PHE A 54 -3.237 1.571 -1.110 1.00 40.15 C ATOM 882 CD2 PHE A 54 -1.207 0.304 -1.086 1.00 12.34 C ATOM 883 CE1 PHE A 54 -2.665 2.502 -0.259 1.00 42.04 C ATOM 884 CE2 PHE A 54 -0.635 1.240 -0.246 1.00 53.20 C ATOM 885 CZ PHE A 54 -1.362 2.333 0.173 1.00 72.14 C ATOM 0 H PHE A 54 -4.118 -1.965 -4.364 1.00 43.03 H new ATOM 0 HA PHE A 54 -3.753 0.819 -4.084 1.00 31.55 H new ATOM 0 HB2 PHE A 54 -4.165 -0.761 -2.201 1.00 73.24 H new ATOM 0 HB3 PHE A 54 -2.593 -1.492 -2.453 1.00 73.24 H new ATOM 0 HD1 PHE A 54 -4.255 1.710 -1.442 1.00 40.15 H new ATOM 0 HD2 PHE A 54 -0.632 -0.558 -1.392 1.00 12.34 H new ATOM 0 HE1 PHE A 54 -3.236 3.359 0.067 1.00 42.04 H new ATOM 0 HE2 PHE A 54 0.386 1.115 0.083 1.00 53.20 H new ATOM 0 HZ PHE A 54 -0.915 3.057 0.838 1.00 72.14 H new ATOM 895 N ARG A 55 -1.048 -0.832 -5.037 1.00 4.04 N ATOM 896 CA ARG A 55 0.294 -0.682 -5.643 1.00 32.14 C ATOM 897 C ARG A 55 0.248 0.248 -6.888 1.00 25.23 C ATOM 898 O ARG A 55 1.184 1.012 -7.138 1.00 51.23 O ATOM 899 CB ARG A 55 0.885 -2.060 -6.068 1.00 10.01 C ATOM 900 CG ARG A 55 2.356 -1.982 -6.561 1.00 72.11 C ATOM 901 CD ARG A 55 2.819 -3.216 -7.369 1.00 0.25 C ATOM 902 NE ARG A 55 4.129 -2.983 -8.016 1.00 25.13 N ATOM 903 CZ ARG A 55 4.352 -2.145 -9.020 1.00 71.45 C ATOM 904 NH1 ARG A 55 3.390 -1.482 -9.594 1.00 73.35 N ATOM 905 NH2 ARG A 55 5.553 -1.984 -9.463 1.00 32.22 N ATOM 0 H ARG A 55 -1.402 -1.789 -5.053 1.00 4.04 H new ATOM 0 HA ARG A 55 0.934 -0.237 -4.881 1.00 32.14 H new ATOM 0 HB2 ARG A 55 0.830 -2.745 -5.222 1.00 10.01 H new ATOM 0 HB3 ARG A 55 0.267 -2.482 -6.861 1.00 10.01 H new ATOM 0 HG2 ARG A 55 2.474 -1.092 -7.179 1.00 72.11 H new ATOM 0 HG3 ARG A 55 3.011 -1.860 -5.698 1.00 72.11 H new ATOM 0 HD2 ARG A 55 2.888 -4.080 -6.708 1.00 0.25 H new ATOM 0 HD3 ARG A 55 2.075 -3.454 -8.129 1.00 0.25 H new ATOM 0 HE ARG A 55 4.927 -3.510 -7.661 1.00 25.13 H new ATOM 0 HH11 ARG A 55 2.429 -1.599 -9.274 1.00 73.35 H new ATOM 0 HH12 ARG A 55 3.598 -0.846 -10.364 1.00 73.35 H new ATOM 0 HH21 ARG A 55 6.325 -2.500 -9.042 1.00 32.22 H new ATOM 0 HH22 ARG A 55 5.730 -1.341 -10.235 1.00 32.22 H new ATOM 919 N ASP A 56 -0.853 0.154 -7.660 1.00 64.45 N ATOM 920 CA ASP A 56 -1.058 0.952 -8.889 1.00 54.30 C ATOM 921 C ASP A 56 -1.233 2.461 -8.566 1.00 61.42 C ATOM 922 O ASP A 56 -0.615 3.310 -9.229 1.00 1.32 O ATOM 923 CB ASP A 56 -2.267 0.389 -9.685 1.00 53.31 C ATOM 924 CG ASP A 56 -2.471 1.058 -11.055 1.00 74.00 C ATOM 925 OD1 ASP A 56 -1.535 1.017 -11.885 1.00 21.11 O ATOM 926 OD2 ASP A 56 -3.557 1.623 -11.314 1.00 34.51 O ATOM 0 H ASP A 56 -1.626 -0.477 -7.450 1.00 64.45 H new ATOM 0 HA ASP A 56 -0.167 0.869 -9.512 1.00 54.30 H new ATOM 0 HB2 ASP A 56 -2.128 -0.682 -9.831 1.00 53.31 H new ATOM 0 HB3 ASP A 56 -3.172 0.515 -9.091 1.00 53.31 H new ATOM 931 N GLU A 57 -2.058 2.784 -7.541 1.00 22.35 N ATOM 932 CA GLU A 57 -2.165 4.172 -7.014 1.00 45.30 C ATOM 933 C GLU A 57 -0.802 4.663 -6.473 1.00 42.11 C ATOM 934 O GLU A 57 -0.396 5.792 -6.750 1.00 73.42 O ATOM 935 CB GLU A 57 -3.237 4.305 -5.889 1.00 34.42 C ATOM 936 CG GLU A 57 -4.712 4.242 -6.349 1.00 24.22 C ATOM 937 CD GLU A 57 -5.182 2.837 -6.747 1.00 25.41 C ATOM 938 OE1 GLU A 57 -5.548 2.057 -5.850 1.00 0.21 O ATOM 939 OE2 GLU A 57 -5.187 2.502 -7.951 1.00 40.44 O ATOM 0 H GLU A 57 -2.656 2.110 -7.064 1.00 22.35 H new ATOM 0 HA GLU A 57 -2.477 4.793 -7.854 1.00 45.30 H new ATOM 0 HB2 GLU A 57 -3.070 3.512 -5.160 1.00 34.42 H new ATOM 0 HB3 GLU A 57 -3.078 5.252 -5.373 1.00 34.42 H new ATOM 0 HG2 GLU A 57 -5.349 4.613 -5.546 1.00 24.22 H new ATOM 0 HG3 GLU A 57 -4.846 4.913 -7.198 1.00 24.22 H new ATOM 946 N MET A 58 -0.106 3.789 -5.704 1.00 14.35 N ATOM 947 CA MET A 58 1.230 4.095 -5.138 1.00 2.41 C ATOM 948 C MET A 58 2.276 4.416 -6.217 1.00 4.35 C ATOM 949 O MET A 58 3.091 5.310 -6.021 1.00 0.11 O ATOM 950 CB MET A 58 1.743 2.945 -4.223 1.00 34.10 C ATOM 951 CG MET A 58 1.133 2.923 -2.805 1.00 24.24 C ATOM 952 SD MET A 58 2.392 2.769 -1.513 1.00 54.40 S ATOM 953 CE MET A 58 3.420 4.213 -1.817 1.00 32.04 C ATOM 0 H MET A 58 -0.452 2.861 -5.461 1.00 14.35 H new ATOM 0 HA MET A 58 1.097 4.992 -4.534 1.00 2.41 H new ATOM 0 HB2 MET A 58 1.532 1.992 -4.709 1.00 34.10 H new ATOM 0 HB3 MET A 58 2.827 3.025 -4.136 1.00 34.10 H new ATOM 0 HG2 MET A 58 0.562 3.837 -2.644 1.00 24.24 H new ATOM 0 HG3 MET A 58 0.433 2.091 -2.727 1.00 24.24 H new ATOM 0 HE1 MET A 58 4.385 4.082 -1.327 1.00 32.04 H new ATOM 0 HE2 MET A 58 3.571 4.333 -2.890 1.00 32.04 H new ATOM 0 HE3 MET A 58 2.928 5.100 -1.418 1.00 32.04 H new ATOM 963 N GLU A 59 2.236 3.694 -7.347 1.00 22.45 N ATOM 964 CA GLU A 59 3.180 3.910 -8.463 1.00 0.35 C ATOM 965 C GLU A 59 2.905 5.258 -9.173 1.00 60.13 C ATOM 966 O GLU A 59 3.836 5.927 -9.625 1.00 5.21 O ATOM 967 CB GLU A 59 3.115 2.722 -9.460 1.00 11.25 C ATOM 968 CG GLU A 59 4.224 2.721 -10.541 1.00 74.02 C ATOM 969 CD GLU A 59 4.187 1.483 -11.453 1.00 31.41 C ATOM 970 OE1 GLU A 59 3.452 1.496 -12.464 1.00 74.03 O ATOM 971 OE2 GLU A 59 4.870 0.479 -11.152 1.00 13.31 O ATOM 0 H GLU A 59 1.558 2.951 -7.516 1.00 22.45 H new ATOM 0 HA GLU A 59 4.190 3.958 -8.056 1.00 0.35 H new ATOM 0 HB2 GLU A 59 3.174 1.790 -8.898 1.00 11.25 H new ATOM 0 HB3 GLU A 59 2.144 2.734 -9.955 1.00 11.25 H new ATOM 0 HG2 GLU A 59 4.125 3.617 -11.153 1.00 74.02 H new ATOM 0 HG3 GLU A 59 5.197 2.774 -10.053 1.00 74.02 H new ATOM 978 N GLN A 60 1.616 5.655 -9.224 1.00 2.05 N ATOM 979 CA GLN A 60 1.180 6.939 -9.823 1.00 70.50 C ATOM 980 C GLN A 60 1.683 8.150 -8.999 1.00 70.21 C ATOM 981 O GLN A 60 2.353 9.035 -9.536 1.00 74.23 O ATOM 982 CB GLN A 60 -0.375 6.942 -9.948 1.00 64.01 C ATOM 983 CG GLN A 60 -1.028 8.160 -10.680 1.00 65.12 C ATOM 984 CD GLN A 60 -1.322 9.379 -9.783 1.00 45.22 C ATOM 985 OE1 GLN A 60 -2.387 9.477 -9.183 1.00 2.53 O ATOM 986 NE2 GLN A 60 -0.399 10.319 -9.698 1.00 41.42 N ATOM 0 H GLN A 60 0.847 5.097 -8.852 1.00 2.05 H new ATOM 0 HA GLN A 60 1.619 7.034 -10.816 1.00 70.50 H new ATOM 0 HB2 GLN A 60 -0.674 6.033 -10.470 1.00 64.01 H new ATOM 0 HB3 GLN A 60 -0.795 6.886 -8.944 1.00 64.01 H new ATOM 0 HG2 GLN A 60 -0.369 8.474 -11.489 1.00 65.12 H new ATOM 0 HG3 GLN A 60 -1.961 7.832 -11.138 1.00 65.12 H new ATOM 0 HE21 GLN A 60 0.480 10.218 -10.205 1.00 41.42 H new ATOM 0 HE22 GLN A 60 -0.565 11.146 -9.125 1.00 41.42 H new ATOM 995 N MET A 61 1.347 8.179 -7.693 1.00 55.02 N ATOM 996 CA MET A 61 1.700 9.308 -6.788 1.00 53.33 C ATOM 997 C MET A 61 3.207 9.331 -6.413 1.00 4.23 C ATOM 998 O MET A 61 3.735 10.377 -6.023 1.00 4.55 O ATOM 999 CB MET A 61 0.787 9.313 -5.528 1.00 32.35 C ATOM 1000 CG MET A 61 0.771 8.012 -4.724 1.00 4.43 C ATOM 1001 SD MET A 61 -0.444 8.054 -3.389 1.00 51.51 S ATOM 1002 CE MET A 61 -0.477 6.342 -2.864 1.00 62.21 C ATOM 0 H MET A 61 0.828 7.431 -7.233 1.00 55.02 H new ATOM 0 HA MET A 61 1.517 10.230 -7.340 1.00 53.33 H new ATOM 0 HB2 MET A 61 1.107 10.122 -4.871 1.00 32.35 H new ATOM 0 HB3 MET A 61 -0.232 9.540 -5.840 1.00 32.35 H new ATOM 0 HG2 MET A 61 0.549 7.178 -5.389 1.00 4.43 H new ATOM 0 HG3 MET A 61 1.762 7.832 -4.307 1.00 4.43 H new ATOM 0 HE1 MET A 61 -1.284 6.197 -2.146 1.00 62.21 H new ATOM 0 HE2 MET A 61 -0.641 5.699 -3.729 1.00 62.21 H new ATOM 0 HE3 MET A 61 0.474 6.086 -2.397 1.00 62.21 H new ATOM 1012 N TYR A 62 3.885 8.168 -6.518 1.00 1.13 N ATOM 1013 CA TYR A 62 5.364 8.102 -6.442 1.00 65.03 C ATOM 1014 C TYR A 62 6.005 8.710 -7.716 1.00 73.44 C ATOM 1015 O TYR A 62 7.026 9.389 -7.637 1.00 43.31 O ATOM 1016 CB TYR A 62 5.852 6.638 -6.221 1.00 64.13 C ATOM 1017 CG TYR A 62 7.353 6.436 -6.486 1.00 71.42 C ATOM 1018 CD1 TYR A 62 8.319 6.938 -5.613 1.00 21.12 C ATOM 1019 CD2 TYR A 62 7.799 5.801 -7.653 1.00 61.55 C ATOM 1020 CE1 TYR A 62 9.665 6.827 -5.903 1.00 60.53 C ATOM 1021 CE2 TYR A 62 9.141 5.677 -7.930 1.00 24.32 C ATOM 1022 CZ TYR A 62 10.068 6.193 -7.056 1.00 61.12 C ATOM 1023 OH TYR A 62 11.405 6.107 -7.354 1.00 30.50 O ATOM 0 H TYR A 62 3.435 7.263 -6.655 1.00 1.13 H new ATOM 0 HA TYR A 62 5.683 8.692 -5.583 1.00 65.03 H new ATOM 0 HB2 TYR A 62 5.631 6.342 -5.195 1.00 64.13 H new ATOM 0 HB3 TYR A 62 5.285 5.974 -6.873 1.00 64.13 H new ATOM 0 HD1 TYR A 62 8.010 7.420 -4.697 1.00 21.12 H new ATOM 0 HD2 TYR A 62 7.076 5.401 -8.348 1.00 61.55 H new ATOM 0 HE1 TYR A 62 10.400 7.237 -5.226 1.00 60.53 H new ATOM 0 HE2 TYR A 62 9.465 5.176 -8.830 1.00 24.32 H new ATOM 0 HH TYR A 62 11.772 5.281 -6.975 1.00 30.50 H new ATOM 1033 N LYS A 63 5.414 8.428 -8.886 1.00 3.10 N ATOM 1034 CA LYS A 63 5.890 8.986 -10.180 1.00 53.11 C ATOM 1035 C LYS A 63 5.682 10.532 -10.184 1.00 12.24 C ATOM 1036 O LYS A 63 6.499 11.278 -10.739 1.00 3.50 O ATOM 1037 CB LYS A 63 5.150 8.278 -11.368 1.00 1.32 C ATOM 1038 CG LYS A 63 5.863 8.312 -12.757 1.00 64.23 C ATOM 1039 CD LYS A 63 5.830 9.690 -13.465 1.00 42.22 C ATOM 1040 CE LYS A 63 4.404 10.183 -13.766 1.00 23.32 C ATOM 1041 NZ LYS A 63 4.398 11.581 -14.278 1.00 62.43 N ATOM 0 H LYS A 63 4.603 7.816 -8.973 1.00 3.10 H new ATOM 0 HA LYS A 63 6.956 8.796 -10.307 1.00 53.11 H new ATOM 0 HB2 LYS A 63 4.987 7.236 -11.095 1.00 1.32 H new ATOM 0 HB3 LYS A 63 4.167 8.736 -11.478 1.00 1.32 H new ATOM 0 HG2 LYS A 63 6.902 8.011 -12.625 1.00 64.23 H new ATOM 0 HG3 LYS A 63 5.397 7.572 -13.408 1.00 64.23 H new ATOM 0 HD2 LYS A 63 6.337 10.425 -12.840 1.00 42.22 H new ATOM 0 HD3 LYS A 63 6.390 9.625 -14.398 1.00 42.22 H new ATOM 0 HE2 LYS A 63 3.940 9.525 -14.501 1.00 23.32 H new ATOM 0 HE3 LYS A 63 3.801 10.125 -12.860 1.00 23.32 H new ATOM 0 HZ1 LYS A 63 3.419 11.877 -14.469 1.00 62.43 H new ATOM 0 HZ2 LYS A 63 4.818 12.213 -13.567 1.00 62.43 H new ATOM 0 HZ3 LYS A 63 4.952 11.631 -15.156 1.00 62.43 H new ATOM 1055 N ASP A 64 4.583 10.983 -9.542 1.00 72.12 N ATOM 1056 CA ASP A 64 4.272 12.418 -9.344 1.00 64.54 C ATOM 1057 C ASP A 64 5.334 13.107 -8.438 1.00 71.50 C ATOM 1058 O ASP A 64 5.889 14.153 -8.798 1.00 63.22 O ATOM 1059 CB ASP A 64 2.849 12.557 -8.737 1.00 3.44 C ATOM 1060 CG ASP A 64 2.415 14.017 -8.518 1.00 34.42 C ATOM 1061 OD1 ASP A 64 2.024 14.680 -9.501 1.00 70.01 O ATOM 1062 OD2 ASP A 64 2.502 14.519 -7.374 1.00 13.21 O ATOM 0 H ASP A 64 3.881 10.359 -9.144 1.00 72.12 H new ATOM 0 HA ASP A 64 4.300 12.921 -10.311 1.00 64.54 H new ATOM 0 HB2 ASP A 64 2.132 12.068 -9.397 1.00 3.44 H new ATOM 0 HB3 ASP A 64 2.816 12.030 -7.784 1.00 3.44 H new ATOM 1067 N ALA A 65 5.609 12.501 -7.267 1.00 41.01 N ATOM 1068 CA ALA A 65 6.613 13.001 -6.293 1.00 74.13 C ATOM 1069 C ALA A 65 7.595 11.853 -5.905 1.00 12.23 C ATOM 1070 O ALA A 65 7.306 11.074 -4.983 1.00 34.42 O ATOM 1071 CB ALA A 65 5.901 13.592 -5.058 1.00 21.45 C ATOM 0 H ALA A 65 5.142 11.647 -6.964 1.00 41.01 H new ATOM 0 HA ALA A 65 7.200 13.799 -6.748 1.00 74.13 H new ATOM 0 HB1 ALA A 65 6.644 13.956 -4.349 1.00 21.45 H new ATOM 0 HB2 ALA A 65 5.260 14.417 -5.368 1.00 21.45 H new ATOM 0 HB3 ALA A 65 5.295 12.820 -4.584 1.00 21.45 H new ATOM 1077 N PRO A 66 8.733 11.675 -6.669 1.00 30.41 N ATOM 1078 CA PRO A 66 9.724 10.583 -6.430 1.00 42.23 C ATOM 1079 C PRO A 66 10.499 10.721 -5.095 1.00 34.01 C ATOM 1080 O PRO A 66 11.271 11.671 -4.904 1.00 44.24 O ATOM 1081 CB PRO A 66 10.682 10.679 -7.659 1.00 65.10 C ATOM 1082 CG PRO A 66 9.922 11.492 -8.670 1.00 11.22 C ATOM 1083 CD PRO A 66 9.114 12.476 -7.860 1.00 31.24 C ATOM 0 HA PRO A 66 9.230 9.616 -6.336 1.00 42.23 H new ATOM 0 HB2 PRO A 66 11.623 11.159 -7.391 1.00 65.10 H new ATOM 0 HB3 PRO A 66 10.927 9.691 -8.048 1.00 65.10 H new ATOM 0 HG2 PRO A 66 10.600 12.006 -9.352 1.00 11.22 H new ATOM 0 HG3 PRO A 66 9.276 10.859 -9.279 1.00 11.22 H new ATOM 0 HD2 PRO A 66 9.699 13.355 -7.588 1.00 31.24 H new ATOM 0 HD3 PRO A 66 8.240 12.831 -8.407 1.00 31.24 H new ATOM 1091 N ASN A 67 10.267 9.768 -4.173 1.00 42.14 N ATOM 1092 CA ASN A 67 11.001 9.663 -2.888 1.00 75.21 C ATOM 1093 C ASN A 67 11.678 8.274 -2.780 1.00 34.11 C ATOM 1094 O ASN A 67 11.048 7.261 -3.082 1.00 23.32 O ATOM 1095 CB ASN A 67 10.039 9.880 -1.692 1.00 3.23 C ATOM 1096 CG ASN A 67 9.392 11.262 -1.683 1.00 34.14 C ATOM 1097 OD1 ASN A 67 9.918 12.199 -1.097 1.00 42.44 O ATOM 1098 ND2 ASN A 67 8.258 11.405 -2.340 1.00 61.14 N ATOM 0 H ASN A 67 9.561 9.042 -4.295 1.00 42.14 H new ATOM 0 HA ASN A 67 11.767 10.438 -2.860 1.00 75.21 H new ATOM 0 HB2 ASN A 67 9.258 9.121 -1.720 1.00 3.23 H new ATOM 0 HB3 ASN A 67 10.589 9.737 -0.762 1.00 3.23 H new ATOM 0 HD21 ASN A 67 7.796 12.314 -2.369 1.00 61.14 H new ATOM 0 HD22 ASN A 67 7.842 10.606 -2.819 1.00 61.14 H new ATOM 1105 N ALA A 68 12.946 8.244 -2.324 1.00 20.31 N ATOM 1106 CA ALA A 68 13.747 6.996 -2.178 1.00 24.53 C ATOM 1107 C ALA A 68 13.099 5.988 -1.195 1.00 23.12 C ATOM 1108 O ALA A 68 13.023 4.786 -1.477 1.00 4.11 O ATOM 1109 CB ALA A 68 15.172 7.350 -1.725 1.00 55.13 C ATOM 0 H ALA A 68 13.452 9.084 -2.044 1.00 20.31 H new ATOM 0 HA ALA A 68 13.780 6.507 -3.152 1.00 24.53 H new ATOM 0 HB1 ALA A 68 15.757 6.437 -1.618 1.00 55.13 H new ATOM 0 HB2 ALA A 68 15.640 7.996 -2.468 1.00 55.13 H new ATOM 0 HB3 ALA A 68 15.131 7.869 -0.767 1.00 55.13 H new ATOM 1115 N VAL A 69 12.626 6.511 -0.051 1.00 21.21 N ATOM 1116 CA VAL A 69 11.912 5.720 0.977 1.00 62.51 C ATOM 1117 C VAL A 69 10.568 5.183 0.419 1.00 70.22 C ATOM 1118 O VAL A 69 10.226 4.017 0.624 1.00 33.04 O ATOM 1119 CB VAL A 69 11.649 6.577 2.277 1.00 73.24 C ATOM 1120 CG1 VAL A 69 10.929 5.757 3.378 1.00 61.01 C ATOM 1121 CG2 VAL A 69 12.967 7.189 2.818 1.00 60.15 C ATOM 0 H VAL A 69 12.726 7.497 0.192 1.00 21.21 H new ATOM 0 HA VAL A 69 12.548 4.876 1.244 1.00 62.51 H new ATOM 0 HB VAL A 69 10.984 7.393 1.993 1.00 73.24 H new ATOM 0 HG11 VAL A 69 10.768 6.386 4.254 1.00 61.01 H new ATOM 0 HG12 VAL A 69 9.968 5.407 3.001 1.00 61.01 H new ATOM 0 HG13 VAL A 69 11.544 4.900 3.654 1.00 61.01 H new ATOM 0 HG21 VAL A 69 12.756 7.774 3.713 1.00 60.15 H new ATOM 0 HG22 VAL A 69 13.666 6.389 3.063 1.00 60.15 H new ATOM 0 HG23 VAL A 69 13.407 7.835 2.058 1.00 60.15 H new ATOM 1131 N MET A 70 9.838 6.044 -0.324 1.00 62.32 N ATOM 1132 CA MET A 70 8.529 5.686 -0.927 1.00 4.42 C ATOM 1133 C MET A 70 8.690 4.610 -2.035 1.00 62.31 C ATOM 1134 O MET A 70 7.798 3.792 -2.240 1.00 15.32 O ATOM 1135 CB MET A 70 7.827 6.958 -1.474 1.00 23.44 C ATOM 1136 CG MET A 70 6.364 6.776 -1.911 1.00 13.51 C ATOM 1137 SD MET A 70 5.591 8.345 -2.380 1.00 32.43 S ATOM 1138 CE MET A 70 3.867 7.881 -2.602 1.00 74.43 C ATOM 0 H MET A 70 10.134 7.000 -0.523 1.00 62.32 H new ATOM 0 HA MET A 70 7.901 5.253 -0.149 1.00 4.42 H new ATOM 0 HB2 MET A 70 7.864 7.730 -0.705 1.00 23.44 H new ATOM 0 HB3 MET A 70 8.398 7.328 -2.326 1.00 23.44 H new ATOM 0 HG2 MET A 70 6.321 6.086 -2.753 1.00 13.51 H new ATOM 0 HG3 MET A 70 5.797 6.322 -1.098 1.00 13.51 H new ATOM 0 HE1 MET A 70 3.285 8.762 -2.874 1.00 74.43 H new ATOM 0 HE2 MET A 70 3.790 7.136 -3.394 1.00 74.43 H new ATOM 0 HE3 MET A 70 3.480 7.463 -1.673 1.00 74.43 H new ATOM 1148 N GLU A 71 9.858 4.604 -2.710 1.00 22.53 N ATOM 1149 CA GLU A 71 10.222 3.562 -3.705 1.00 74.14 C ATOM 1150 C GLU A 71 10.348 2.173 -3.028 1.00 12.30 C ATOM 1151 O GLU A 71 9.909 1.155 -3.572 1.00 63.54 O ATOM 1152 CB GLU A 71 11.559 3.934 -4.394 1.00 13.35 C ATOM 1153 CG GLU A 71 11.963 3.009 -5.562 1.00 15.32 C ATOM 1154 CD GLU A 71 13.383 3.278 -6.090 1.00 24.02 C ATOM 1155 OE1 GLU A 71 13.580 4.268 -6.824 1.00 0.34 O ATOM 1156 OE2 GLU A 71 14.315 2.512 -5.759 1.00 41.50 O ATOM 0 H GLU A 71 10.577 5.317 -2.585 1.00 22.53 H new ATOM 0 HA GLU A 71 9.431 3.511 -4.453 1.00 74.14 H new ATOM 0 HB2 GLU A 71 11.488 4.956 -4.766 1.00 13.35 H new ATOM 0 HB3 GLU A 71 12.353 3.921 -3.647 1.00 13.35 H new ATOM 0 HG2 GLU A 71 11.895 1.972 -5.235 1.00 15.32 H new ATOM 0 HG3 GLU A 71 11.250 3.133 -6.377 1.00 15.32 H new ATOM 1163 N GLN A 72 10.956 2.170 -1.826 1.00 53.35 N ATOM 1164 CA GLN A 72 11.076 0.975 -0.964 1.00 23.53 C ATOM 1165 C GLN A 72 9.692 0.486 -0.468 1.00 21.21 C ATOM 1166 O GLN A 72 9.509 -0.701 -0.202 1.00 40.14 O ATOM 1167 CB GLN A 72 12.013 1.281 0.236 1.00 65.53 C ATOM 1168 CG GLN A 72 13.433 1.721 -0.174 1.00 61.51 C ATOM 1169 CD GLN A 72 14.332 2.058 1.017 1.00 14.11 C ATOM 1170 OE1 GLN A 72 14.392 3.198 1.468 1.00 53.51 O ATOM 1171 NE2 GLN A 72 15.035 1.072 1.535 1.00 3.21 N ATOM 0 H GLN A 72 11.382 3.004 -1.421 1.00 53.35 H new ATOM 0 HA GLN A 72 11.509 0.170 -1.559 1.00 23.53 H new ATOM 0 HB2 GLN A 72 11.562 2.065 0.845 1.00 65.53 H new ATOM 0 HB3 GLN A 72 12.086 0.392 0.863 1.00 65.53 H new ATOM 0 HG2 GLN A 72 13.898 0.926 -0.757 1.00 61.51 H new ATOM 0 HG3 GLN A 72 13.362 2.593 -0.824 1.00 61.51 H new ATOM 0 HE21 GLN A 72 14.966 0.134 1.140 1.00 3.21 H new ATOM 0 HE22 GLN A 72 15.649 1.246 2.331 1.00 3.21 H new ATOM 1180 N LEU A 73 8.738 1.426 -0.317 1.00 71.13 N ATOM 1181 CA LEU A 73 7.338 1.104 0.045 1.00 54.13 C ATOM 1182 C LEU A 73 6.576 0.449 -1.142 1.00 20.41 C ATOM 1183 O LEU A 73 5.736 -0.426 -0.927 1.00 53.13 O ATOM 1184 CB LEU A 73 6.608 2.371 0.559 1.00 71.45 C ATOM 1185 CG LEU A 73 7.319 3.123 1.735 1.00 44.42 C ATOM 1186 CD1 LEU A 73 6.516 4.355 2.208 1.00 43.11 C ATOM 1187 CD2 LEU A 73 7.642 2.170 2.912 1.00 1.42 C ATOM 0 H LEU A 73 8.911 2.423 -0.441 1.00 71.13 H new ATOM 0 HA LEU A 73 7.357 0.371 0.852 1.00 54.13 H new ATOM 0 HB2 LEU A 73 6.488 3.064 -0.274 1.00 71.45 H new ATOM 0 HB3 LEU A 73 5.607 2.087 0.884 1.00 71.45 H new ATOM 0 HG LEU A 73 8.267 3.492 1.344 1.00 44.42 H new ATOM 0 HD11 LEU A 73 7.048 4.844 3.024 1.00 43.11 H new ATOM 0 HD12 LEU A 73 6.400 5.054 1.380 1.00 43.11 H new ATOM 0 HD13 LEU A 73 5.533 4.037 2.554 1.00 43.11 H new ATOM 0 HD21 LEU A 73 8.135 2.729 3.708 1.00 1.42 H new ATOM 0 HD22 LEU A 73 6.718 1.735 3.292 1.00 1.42 H new ATOM 0 HD23 LEU A 73 8.302 1.374 2.565 1.00 1.42 H new ATOM 1199 N LEU A 74 6.881 0.878 -2.395 1.00 22.22 N ATOM 1200 CA LEU A 74 6.422 0.168 -3.627 1.00 53.05 C ATOM 1201 C LEU A 74 6.997 -1.269 -3.670 1.00 50.11 C ATOM 1202 O LEU A 74 6.293 -2.220 -4.029 1.00 65.32 O ATOM 1203 CB LEU A 74 6.837 0.931 -4.932 1.00 22.40 C ATOM 1204 CG LEU A 74 5.853 2.024 -5.465 1.00 11.31 C ATOM 1205 CD1 LEU A 74 5.702 3.195 -4.481 1.00 31.13 C ATOM 1206 CD2 LEU A 74 6.290 2.522 -6.868 1.00 20.53 C ATOM 0 H LEU A 74 7.441 1.710 -2.582 1.00 22.22 H new ATOM 0 HA LEU A 74 5.333 0.129 -3.586 1.00 53.05 H new ATOM 0 HB2 LEU A 74 7.803 1.404 -4.754 1.00 22.40 H new ATOM 0 HB3 LEU A 74 6.983 0.194 -5.722 1.00 22.40 H new ATOM 0 HG LEU A 74 4.871 1.560 -5.558 1.00 11.31 H new ATOM 0 HD11 LEU A 74 5.010 3.929 -4.893 1.00 31.13 H new ATOM 0 HD12 LEU A 74 5.316 2.825 -3.531 1.00 31.13 H new ATOM 0 HD13 LEU A 74 6.673 3.663 -4.320 1.00 31.13 H new ATOM 0 HD21 LEU A 74 5.591 3.281 -7.218 1.00 20.53 H new ATOM 0 HD22 LEU A 74 7.291 2.950 -6.807 1.00 20.53 H new ATOM 0 HD23 LEU A 74 6.296 1.685 -7.566 1.00 20.53 H new ATOM 1218 N GLU A 75 8.294 -1.386 -3.305 1.00 14.32 N ATOM 1219 CA GLU A 75 9.014 -2.675 -3.222 1.00 14.21 C ATOM 1220 C GLU A 75 8.347 -3.620 -2.196 1.00 62.13 C ATOM 1221 O GLU A 75 8.165 -4.800 -2.468 1.00 12.32 O ATOM 1222 CB GLU A 75 10.501 -2.434 -2.844 1.00 50.51 C ATOM 1223 CG GLU A 75 11.360 -3.714 -2.724 1.00 75.31 C ATOM 1224 CD GLU A 75 12.796 -3.427 -2.261 1.00 33.23 C ATOM 1225 OE1 GLU A 75 13.653 -3.108 -3.114 1.00 3.43 O ATOM 1226 OE2 GLU A 75 13.069 -3.499 -1.042 1.00 21.24 O ATOM 0 H GLU A 75 8.873 -0.583 -3.059 1.00 14.32 H new ATOM 0 HA GLU A 75 8.969 -3.153 -4.201 1.00 14.21 H new ATOM 0 HB2 GLU A 75 10.950 -1.782 -3.594 1.00 50.51 H new ATOM 0 HB3 GLU A 75 10.537 -1.900 -1.894 1.00 50.51 H new ATOM 0 HG2 GLU A 75 10.887 -4.399 -2.021 1.00 75.31 H new ATOM 0 HG3 GLU A 75 11.389 -4.218 -3.690 1.00 75.31 H new ATOM 1233 N GLU A 76 7.964 -3.057 -1.032 1.00 53.02 N ATOM 1234 CA GLU A 76 7.236 -3.776 0.041 1.00 25.20 C ATOM 1235 C GLU A 76 5.945 -4.447 -0.497 1.00 44.13 C ATOM 1236 O GLU A 76 5.722 -5.645 -0.272 1.00 52.25 O ATOM 1237 CB GLU A 76 6.899 -2.780 1.202 1.00 22.03 C ATOM 1238 CG GLU A 76 8.006 -2.592 2.269 1.00 32.43 C ATOM 1239 CD GLU A 76 8.014 -3.720 3.328 1.00 74.33 C ATOM 1240 OE1 GLU A 76 7.299 -3.592 4.345 1.00 12.33 O ATOM 1241 OE2 GLU A 76 8.709 -4.746 3.148 1.00 52.43 O ATOM 0 H GLU A 76 8.152 -2.080 -0.805 1.00 53.02 H new ATOM 0 HA GLU A 76 7.878 -4.570 0.421 1.00 25.20 H new ATOM 0 HB2 GLU A 76 6.671 -1.807 0.767 1.00 22.03 H new ATOM 0 HB3 GLU A 76 5.994 -3.126 1.701 1.00 22.03 H new ATOM 0 HG2 GLU A 76 8.977 -2.556 1.776 1.00 32.43 H new ATOM 0 HG3 GLU A 76 7.865 -1.633 2.767 1.00 32.43 H new ATOM 1248 N ILE A 77 5.121 -3.667 -1.233 1.00 1.11 N ATOM 1249 CA ILE A 77 3.852 -4.165 -1.824 1.00 22.43 C ATOM 1250 C ILE A 77 4.119 -5.165 -2.979 1.00 35.42 C ATOM 1251 O ILE A 77 3.367 -6.113 -3.155 1.00 31.43 O ATOM 1252 CB ILE A 77 2.945 -2.998 -2.379 1.00 34.11 C ATOM 1253 CG1 ILE A 77 2.843 -1.823 -1.364 1.00 13.13 C ATOM 1254 CG2 ILE A 77 1.523 -3.523 -2.739 1.00 43.34 C ATOM 1255 CD1 ILE A 77 2.207 -0.563 -1.919 1.00 42.31 C ATOM 0 H ILE A 77 5.311 -2.685 -1.434 1.00 1.11 H new ATOM 0 HA ILE A 77 3.326 -4.665 -1.011 1.00 22.43 H new ATOM 0 HB ILE A 77 3.419 -2.621 -3.286 1.00 34.11 H new ATOM 0 HG12 ILE A 77 2.267 -2.155 -0.500 1.00 13.13 H new ATOM 0 HG13 ILE A 77 3.844 -1.582 -1.006 1.00 13.13 H new ATOM 0 HG21 ILE A 77 0.917 -2.701 -3.119 1.00 43.34 H new ATOM 0 HG22 ILE A 77 1.603 -4.297 -3.502 1.00 43.34 H new ATOM 0 HG23 ILE A 77 1.052 -3.939 -1.848 1.00 43.34 H new ATOM 0 HD11 ILE A 77 2.178 0.202 -1.143 1.00 42.31 H new ATOM 0 HD12 ILE A 77 2.794 -0.201 -2.763 1.00 42.31 H new ATOM 0 HD13 ILE A 77 1.192 -0.783 -2.250 1.00 42.31 H new ATOM 1267 N GLU A 78 5.195 -4.929 -3.760 1.00 53.30 N ATOM 1268 CA GLU A 78 5.509 -5.730 -4.972 1.00 13.22 C ATOM 1269 C GLU A 78 6.029 -7.144 -4.617 1.00 52.24 C ATOM 1270 O GLU A 78 5.594 -8.134 -5.215 1.00 45.03 O ATOM 1271 CB GLU A 78 6.537 -4.984 -5.862 1.00 24.31 C ATOM 1272 CG GLU A 78 6.811 -5.665 -7.223 1.00 22.53 C ATOM 1273 CD GLU A 78 7.868 -4.934 -8.057 1.00 50.31 C ATOM 1274 OE1 GLU A 78 9.071 -5.200 -7.872 1.00 1.11 O ATOM 1275 OE2 GLU A 78 7.507 -4.069 -8.882 1.00 1.25 O ATOM 0 H GLU A 78 5.868 -4.185 -3.574 1.00 53.30 H new ATOM 0 HA GLU A 78 4.580 -5.856 -5.528 1.00 13.22 H new ATOM 0 HB2 GLU A 78 6.177 -3.971 -6.042 1.00 24.31 H new ATOM 0 HB3 GLU A 78 7.477 -4.897 -5.317 1.00 24.31 H new ATOM 0 HG2 GLU A 78 7.138 -6.690 -7.050 1.00 22.53 H new ATOM 0 HG3 GLU A 78 5.882 -5.718 -7.790 1.00 22.53 H new ATOM 1282 N LYS A 79 6.977 -7.219 -3.654 1.00 12.22 N ATOM 1283 CA LYS A 79 7.474 -8.507 -3.102 1.00 3.44 C ATOM 1284 C LYS A 79 6.301 -9.317 -2.509 1.00 71.13 C ATOM 1285 O LYS A 79 6.168 -10.513 -2.765 1.00 4.34 O ATOM 1286 CB LYS A 79 8.541 -8.281 -1.990 1.00 21.12 C ATOM 1287 CG LYS A 79 9.795 -7.478 -2.403 1.00 11.30 C ATOM 1288 CD LYS A 79 10.628 -8.133 -3.530 1.00 43.32 C ATOM 1289 CE LYS A 79 11.951 -7.382 -3.777 1.00 15.33 C ATOM 1290 NZ LYS A 79 12.710 -7.929 -4.933 1.00 63.30 N ATOM 0 H LYS A 79 7.417 -6.398 -3.239 1.00 12.22 H new ATOM 0 HA LYS A 79 7.936 -9.056 -3.922 1.00 3.44 H new ATOM 0 HB2 LYS A 79 8.064 -7.766 -1.156 1.00 21.12 H new ATOM 0 HB3 LYS A 79 8.863 -9.255 -1.621 1.00 21.12 H new ATOM 0 HG2 LYS A 79 9.485 -6.484 -2.727 1.00 11.30 H new ATOM 0 HG3 LYS A 79 10.431 -7.344 -1.528 1.00 11.30 H new ATOM 0 HD2 LYS A 79 10.842 -9.169 -3.268 1.00 43.32 H new ATOM 0 HD3 LYS A 79 10.044 -8.151 -4.450 1.00 43.32 H new ATOM 0 HE2 LYS A 79 11.739 -6.327 -3.952 1.00 15.33 H new ATOM 0 HE3 LYS A 79 12.569 -7.438 -2.881 1.00 15.33 H new ATOM 0 HZ1 LYS A 79 13.591 -7.390 -5.057 1.00 63.30 H new ATOM 0 HZ2 LYS A 79 12.938 -8.928 -4.757 1.00 63.30 H new ATOM 0 HZ3 LYS A 79 12.133 -7.852 -5.795 1.00 63.30 H new ATOM 1304 N LEU A 80 5.461 -8.612 -1.721 1.00 74.23 N ATOM 1305 CA LEU A 80 4.215 -9.161 -1.150 1.00 23.42 C ATOM 1306 C LEU A 80 3.270 -9.702 -2.248 1.00 44.32 C ATOM 1307 O LEU A 80 2.803 -10.823 -2.141 1.00 54.03 O ATOM 1308 CB LEU A 80 3.489 -8.077 -0.313 1.00 22.45 C ATOM 1309 CG LEU A 80 2.066 -8.453 0.222 1.00 44.04 C ATOM 1310 CD1 LEU A 80 2.098 -9.685 1.152 1.00 60.31 C ATOM 1311 CD2 LEU A 80 1.418 -7.252 0.919 1.00 44.25 C ATOM 0 H LEU A 80 5.631 -7.640 -1.462 1.00 74.23 H new ATOM 0 HA LEU A 80 4.488 -9.996 -0.505 1.00 23.42 H new ATOM 0 HB2 LEU A 80 4.119 -7.823 0.539 1.00 22.45 H new ATOM 0 HB3 LEU A 80 3.399 -7.177 -0.922 1.00 22.45 H new ATOM 0 HG LEU A 80 1.456 -8.725 -0.640 1.00 44.04 H new ATOM 0 HD11 LEU A 80 1.088 -9.907 1.497 1.00 60.31 H new ATOM 0 HD12 LEU A 80 2.491 -10.543 0.606 1.00 60.31 H new ATOM 0 HD13 LEU A 80 2.737 -9.477 2.010 1.00 60.31 H new ATOM 0 HD21 LEU A 80 0.430 -7.533 1.284 1.00 44.25 H new ATOM 0 HD22 LEU A 80 2.040 -6.939 1.758 1.00 44.25 H new ATOM 0 HD23 LEU A 80 1.323 -6.428 0.211 1.00 44.25 H new ATOM 1323 N LEU A 81 3.040 -8.896 -3.301 1.00 12.14 N ATOM 1324 CA LEU A 81 2.068 -9.195 -4.387 1.00 3.14 C ATOM 1325 C LEU A 81 2.476 -10.457 -5.183 1.00 24.33 C ATOM 1326 O LEU A 81 1.633 -11.298 -5.524 1.00 3.03 O ATOM 1327 CB LEU A 81 1.960 -7.959 -5.325 1.00 2.53 C ATOM 1328 CG LEU A 81 0.886 -8.027 -6.457 1.00 41.44 C ATOM 1329 CD1 LEU A 81 -0.522 -8.277 -5.877 1.00 13.45 C ATOM 1330 CD2 LEU A 81 0.908 -6.746 -7.332 1.00 51.22 C ATOM 0 H LEU A 81 3.525 -8.008 -3.430 1.00 12.14 H new ATOM 0 HA LEU A 81 1.095 -9.401 -3.942 1.00 3.14 H new ATOM 0 HB2 LEU A 81 1.751 -7.083 -4.711 1.00 2.53 H new ATOM 0 HB3 LEU A 81 2.933 -7.798 -5.789 1.00 2.53 H new ATOM 0 HG LEU A 81 1.138 -8.872 -7.098 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.248 -8.319 -6.689 1.00 13.45 H new ATOM 0 HD12 LEU A 81 -0.529 -9.222 -5.334 1.00 13.45 H new ATOM 0 HD13 LEU A 81 -0.785 -7.466 -5.197 1.00 13.45 H new ATOM 0 HD21 LEU A 81 0.149 -6.824 -8.111 1.00 51.22 H new ATOM 0 HD22 LEU A 81 0.700 -5.876 -6.709 1.00 51.22 H new ATOM 0 HD23 LEU A 81 1.890 -6.636 -7.792 1.00 51.22 H new ATOM 1342 N LYS A 82 3.783 -10.560 -5.448 1.00 14.22 N ATOM 1343 CA LYS A 82 4.425 -11.736 -6.072 1.00 33.42 C ATOM 1344 C LYS A 82 4.160 -13.019 -5.234 1.00 12.11 C ATOM 1345 O LYS A 82 3.684 -14.034 -5.753 1.00 10.45 O ATOM 1346 CB LYS A 82 5.949 -11.438 -6.177 1.00 33.51 C ATOM 1347 CG LYS A 82 6.837 -12.568 -6.756 1.00 2.41 C ATOM 1348 CD LYS A 82 8.344 -12.189 -6.731 1.00 73.54 C ATOM 1349 CE LYS A 82 9.256 -13.292 -7.290 1.00 60.21 C ATOM 1350 NZ LYS A 82 9.006 -13.557 -8.734 1.00 24.20 N ATOM 0 H LYS A 82 4.444 -9.814 -5.232 1.00 14.22 H new ATOM 0 HA LYS A 82 4.010 -11.916 -7.064 1.00 33.42 H new ATOM 0 HB2 LYS A 82 6.081 -10.550 -6.795 1.00 33.51 H new ATOM 0 HB3 LYS A 82 6.318 -11.191 -5.181 1.00 33.51 H new ATOM 0 HG2 LYS A 82 6.683 -13.482 -6.182 1.00 2.41 H new ATOM 0 HG3 LYS A 82 6.533 -12.780 -7.781 1.00 2.41 H new ATOM 0 HD2 LYS A 82 8.492 -11.277 -7.309 1.00 73.54 H new ATOM 0 HD3 LYS A 82 8.639 -11.968 -5.705 1.00 73.54 H new ATOM 0 HE2 LYS A 82 10.298 -13.003 -7.151 1.00 60.21 H new ATOM 0 HE3 LYS A 82 9.101 -14.210 -6.723 1.00 60.21 H new ATOM 0 HZ1 LYS A 82 9.679 -14.272 -9.077 1.00 24.20 H new ATOM 0 HZ2 LYS A 82 8.035 -13.907 -8.860 1.00 24.20 H new ATOM 0 HZ3 LYS A 82 9.129 -12.677 -9.275 1.00 24.20 H new ATOM 1364 N LYS A 83 4.454 -12.925 -3.926 1.00 20.33 N ATOM 1365 CA LYS A 83 4.284 -14.032 -2.949 1.00 1.44 C ATOM 1366 C LYS A 83 2.797 -14.341 -2.624 1.00 4.33 C ATOM 1367 O LYS A 83 2.456 -15.474 -2.258 1.00 72.24 O ATOM 1368 CB LYS A 83 5.062 -13.702 -1.651 1.00 40.04 C ATOM 1369 CG LYS A 83 6.584 -13.521 -1.859 1.00 34.30 C ATOM 1370 CD LYS A 83 7.309 -13.077 -0.569 1.00 21.42 C ATOM 1371 CE LYS A 83 8.804 -12.795 -0.789 1.00 55.32 C ATOM 1372 NZ LYS A 83 9.488 -12.407 0.475 1.00 52.15 N ATOM 0 H LYS A 83 4.821 -12.071 -3.505 1.00 20.33 H new ATOM 0 HA LYS A 83 4.688 -14.932 -3.412 1.00 1.44 H new ATOM 0 HB2 LYS A 83 4.654 -12.789 -1.217 1.00 40.04 H new ATOM 0 HB3 LYS A 83 4.897 -14.500 -0.928 1.00 40.04 H new ATOM 0 HG2 LYS A 83 7.014 -14.460 -2.209 1.00 34.30 H new ATOM 0 HG3 LYS A 83 6.755 -12.781 -2.641 1.00 34.30 H new ATOM 0 HD2 LYS A 83 6.829 -12.179 -0.179 1.00 21.42 H new ATOM 0 HD3 LYS A 83 7.199 -13.852 0.189 1.00 21.42 H new ATOM 0 HE2 LYS A 83 9.283 -13.682 -1.204 1.00 55.32 H new ATOM 0 HE3 LYS A 83 8.919 -11.998 -1.523 1.00 55.32 H new ATOM 0 HZ1 LYS A 83 10.494 -12.225 0.284 1.00 52.15 H new ATOM 0 HZ2 LYS A 83 9.048 -11.546 0.858 1.00 52.15 H new ATOM 0 HZ3 LYS A 83 9.401 -13.178 1.168 1.00 52.15 H new ATOM 1386 N ALA A 84 1.931 -13.313 -2.732 1.00 13.32 N ATOM 1387 CA ALA A 84 0.495 -13.392 -2.366 1.00 54.00 C ATOM 1388 C ALA A 84 -0.326 -14.183 -3.402 1.00 24.33 C ATOM 1389 O ALA A 84 0.222 -14.717 -4.368 1.00 21.34 O ATOM 1390 CB ALA A 84 -0.086 -11.971 -2.189 1.00 75.03 C ATOM 0 H ALA A 84 2.208 -12.394 -3.079 1.00 13.32 H new ATOM 0 HA ALA A 84 0.426 -13.931 -1.421 1.00 54.00 H new ATOM 0 HB1 ALA A 84 -1.140 -12.040 -1.921 1.00 75.03 H new ATOM 0 HB2 ALA A 84 0.457 -11.452 -1.399 1.00 75.03 H new ATOM 0 HB3 ALA A 84 0.015 -11.418 -3.123 1.00 75.03 H new