USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 497 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 36 LYS NZ :NH3+ -114:sc= -0.0576 (180deg=0.0113) USER MOD Set 1.2: A 37 ASN : amide:sc= 0.13 X(o=0.072,f=-0.0039) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.4!) USER MOD Single : A 10 THR OG1 : rot 39:sc= -0.303 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.11) USER MOD Single : A 20 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.61) USER MOD Single : A 24 THR OG1 : rot 160:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.588 K(o=-0.59,f=-1.9) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -165:sc= -0.303 (180deg=-0.349) USER MOD Single : B 180 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 181 ASN : amide:sc=-0.00887 X(o=-0.0089,f=0) USER MOD Single : B 182 THR OG1 : rot 90:sc= 0.322 USER MOD Single : B 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 187 ASN : amide:sc= -0.0873 X(o=-0.087,f=-0.087) USER MOD Single : B 192 ASN : amide:sc= -0.954 X(o=-0.95,f=-1.2) USER MOD Single : B 196 THR OG1 : rot 170:sc= 0 USER MOD Single : B 197 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 201 ASN : amide:sc= -0.0786 X(o=-0.079,f=0) USER MOD Single : B 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 2.329 -1.547 -6.605 1.00 45.55 N ATOM 89 CA LEU A 7 2.615 -0.282 -7.274 1.00 64.54 C ATOM 90 C LEU A 7 3.983 0.252 -6.865 1.00 10.22 C ATOM 91 O LEU A 7 4.191 1.462 -6.790 1.00 34.21 O ATOM 92 CB LEU A 7 1.533 0.747 -6.943 1.00 74.14 C ATOM 93 CG LEU A 7 0.233 0.634 -7.739 1.00 40.43 C ATOM 94 CD1 LEU A 7 -0.856 1.489 -7.109 1.00 60.34 C ATOM 95 CD2 LEU A 7 0.458 1.040 -9.189 1.00 1.33 C ATOM 0 HA LEU A 7 2.622 -0.460 -8.349 1.00 64.54 H new ATOM 0 HB2 LEU A 7 1.294 0.665 -5.883 1.00 74.14 H new ATOM 0 HB3 LEU A 7 1.947 1.743 -7.101 1.00 74.14 H new ATOM 0 HG LEU A 7 -0.092 -0.406 -7.719 1.00 40.43 H new ATOM 0 HD11 LEU A 7 -1.774 1.395 -7.690 1.00 60.34 H new ATOM 0 HD12 LEU A 7 -1.037 1.153 -6.088 1.00 60.34 H new ATOM 0 HD13 LEU A 7 -0.539 2.532 -7.097 1.00 60.34 H new ATOM 0 HD21 LEU A 7 -0.478 0.953 -9.741 1.00 1.33 H new ATOM 0 HD22 LEU A 7 0.808 2.072 -9.228 1.00 1.33 H new ATOM 0 HD23 LEU A 7 1.206 0.386 -9.638 1.00 1.33 H new ATOM 107 N ASN A 8 4.916 -0.659 -6.605 1.00 52.15 N ATOM 108 CA ASN A 8 6.265 -0.280 -6.206 1.00 35.23 C ATOM 109 C ASN A 8 6.886 0.671 -7.225 1.00 11.31 C ATOM 110 O ASN A 8 7.396 1.733 -6.869 1.00 25.45 O ATOM 111 CB ASN A 8 7.143 -1.523 -6.052 1.00 63.43 C ATOM 112 CG ASN A 8 8.379 -1.258 -5.214 1.00 43.13 C ATOM 113 OD1 ASN A 8 8.366 -1.436 -3.996 1.00 24.03 O ATOM 114 ND2 ASN A 8 9.454 -0.831 -5.865 1.00 24.22 N ATOM 0 H ASN A 8 4.761 -1.665 -6.664 1.00 52.15 H new ATOM 0 HA ASN A 8 6.202 0.233 -5.246 1.00 35.23 H new ATOM 0 HB2 ASN A 8 6.560 -2.321 -5.593 1.00 63.43 H new ATOM 0 HB3 ASN A 8 7.445 -1.876 -7.038 1.00 63.43 H new ATOM 0 HD21 ASN A 8 10.315 -0.636 -5.355 1.00 24.22 H new ATOM 0 HD22 ASN A 8 9.419 -0.698 -6.876 1.00 24.22 H new ATOM 121 N ASN A 9 6.838 0.283 -8.496 1.00 62.52 N ATOM 122 CA ASN A 9 7.396 1.100 -9.567 1.00 74.31 C ATOM 123 C ASN A 9 6.605 2.394 -9.731 1.00 50.32 C ATOM 124 O ASN A 9 7.177 3.464 -9.939 1.00 22.05 O ATOM 125 CB ASN A 9 7.399 0.320 -10.883 1.00 30.31 C ATOM 126 CG ASN A 9 8.326 -0.880 -10.841 1.00 12.42 C ATOM 127 OD1 ASN A 9 8.288 -1.674 -9.903 1.00 44.31 O ATOM 128 ND2 ASN A 9 9.164 -1.015 -11.862 1.00 14.15 N ATOM 0 H ASN A 9 6.418 -0.592 -8.809 1.00 62.52 H new ATOM 0 HA ASN A 9 8.422 1.353 -9.301 1.00 74.31 H new ATOM 0 HB2 ASN A 9 6.386 -0.014 -11.106 1.00 30.31 H new ATOM 0 HB3 ASN A 9 7.702 0.982 -11.694 1.00 30.31 H new ATOM 0 HD21 ASN A 9 9.812 -1.803 -11.890 1.00 14.15 H new ATOM 0 HD22 ASN A 9 9.160 -0.331 -12.619 1.00 14.15 H new ATOM 135 N THR A 10 5.282 2.289 -9.637 1.00 33.42 N ATOM 136 CA THR A 10 4.412 3.450 -9.776 1.00 71.42 C ATOM 137 C THR A 10 4.731 4.506 -8.723 1.00 31.12 C ATOM 138 O THR A 10 4.859 5.690 -9.036 1.00 31.43 O ATOM 139 CB THR A 10 2.927 3.056 -9.657 1.00 34.02 C ATOM 140 OG1 THR A 10 2.539 2.265 -10.785 1.00 73.14 O ATOM 141 CG2 THR A 10 2.045 4.292 -9.569 1.00 40.22 C ATOM 0 H THR A 10 4.791 1.412 -9.465 1.00 33.42 H new ATOM 0 HA THR A 10 4.593 3.864 -10.768 1.00 71.42 H new ATOM 0 HB THR A 10 2.800 2.473 -8.745 1.00 34.02 H new ATOM 0 HG1 THR A 10 3.265 1.650 -11.018 1.00 73.14 H new ATOM 0 HG21 THR A 10 1.001 3.989 -9.486 1.00 40.22 H new ATOM 0 HG22 THR A 10 2.324 4.877 -8.692 1.00 40.22 H new ATOM 0 HG23 THR A 10 2.177 4.897 -10.466 1.00 40.22 H new ATOM 149 N LYS A 11 4.860 4.071 -7.474 1.00 44.21 N ATOM 150 CA LYS A 11 5.166 4.978 -6.375 1.00 1.04 C ATOM 151 C LYS A 11 6.438 5.769 -6.662 1.00 34.45 C ATOM 152 O LYS A 11 6.545 6.943 -6.304 1.00 31.13 O ATOM 153 CB LYS A 11 5.324 4.195 -5.069 1.00 43.30 C ATOM 154 CG LYS A 11 4.173 4.393 -4.098 1.00 43.53 C ATOM 155 CD LYS A 11 3.662 3.066 -3.562 1.00 33.24 C ATOM 156 CE LYS A 11 2.713 3.268 -2.391 1.00 31.20 C ATOM 157 NZ LYS A 11 2.290 1.973 -1.789 1.00 2.41 N1+ ATOM 0 H LYS A 11 4.757 3.094 -7.198 1.00 44.21 H new ATOM 0 HA LYS A 11 4.337 5.679 -6.273 1.00 1.04 H new ATOM 0 HB2 LYS A 11 5.415 3.134 -5.300 1.00 43.30 H new ATOM 0 HB3 LYS A 11 6.253 4.496 -4.585 1.00 43.30 H new ATOM 0 HG2 LYS A 11 4.499 5.020 -3.268 1.00 43.53 H new ATOM 0 HG3 LYS A 11 3.361 4.922 -4.597 1.00 43.53 H new ATOM 0 HD2 LYS A 11 3.151 2.524 -4.357 1.00 33.24 H new ATOM 0 HD3 LYS A 11 4.505 2.450 -3.247 1.00 33.24 H new ATOM 0 HE2 LYS A 11 3.199 3.880 -1.631 1.00 31.20 H new ATOM 0 HE3 LYS A 11 1.833 3.817 -2.727 1.00 31.20 H new ATOM 0 HZ1 LYS A 11 1.644 2.154 -0.994 1.00 2.41 H new ATOM 0 HZ2 LYS A 11 1.803 1.399 -2.507 1.00 2.41 H new ATOM 0 HZ3 LYS A 11 3.127 1.460 -1.445 1.00 2.41 H new ATOM 171 N LYS A 12 7.399 5.122 -7.311 1.00 21.32 N ATOM 172 CA LYS A 12 8.664 5.765 -7.649 1.00 74.34 C ATOM 173 C LYS A 12 8.477 6.766 -8.786 1.00 24.14 C ATOM 174 O LYS A 12 9.121 7.815 -8.814 1.00 4.03 O ATOM 175 CB LYS A 12 9.704 4.716 -8.044 1.00 3.02 C ATOM 176 CG LYS A 12 9.840 3.584 -7.039 1.00 34.50 C ATOM 177 CD LYS A 12 11.245 3.512 -6.467 1.00 44.01 C ATOM 178 CE LYS A 12 11.344 2.471 -5.363 1.00 31.45 C ATOM 179 NZ LYS A 12 12.042 3.004 -4.159 1.00 4.51 N1+ ATOM 0 H LYS A 12 7.326 4.151 -7.614 1.00 21.32 H new ATOM 0 HA LYS A 12 9.017 6.302 -6.769 1.00 74.34 H new ATOM 0 HB2 LYS A 12 9.436 4.298 -9.015 1.00 3.02 H new ATOM 0 HB3 LYS A 12 10.672 5.203 -8.163 1.00 3.02 H new ATOM 0 HG2 LYS A 12 9.124 3.727 -6.230 1.00 34.50 H new ATOM 0 HG3 LYS A 12 9.593 2.638 -7.520 1.00 34.50 H new ATOM 0 HD2 LYS A 12 11.951 3.270 -7.262 1.00 44.01 H new ATOM 0 HD3 LYS A 12 11.530 4.488 -6.075 1.00 44.01 H new ATOM 0 HE2 LYS A 12 10.343 2.139 -5.086 1.00 31.45 H new ATOM 0 HE3 LYS A 12 11.878 1.597 -5.735 1.00 31.45 H new ATOM 0 HZ1 LYS A 12 12.089 2.264 -3.429 1.00 4.51 H new ATOM 0 HZ2 LYS A 12 13.006 3.297 -4.418 1.00 4.51 H new ATOM 0 HZ3 LYS A 12 11.519 3.823 -3.789 1.00 4.51 H new ATOM 193 N VAL A 13 7.594 6.433 -9.721 1.00 72.13 N ATOM 194 CA VAL A 13 7.322 7.304 -10.859 1.00 54.14 C ATOM 195 C VAL A 13 6.622 8.585 -10.416 1.00 44.10 C ATOM 196 O VAL A 13 6.895 9.665 -10.939 1.00 31.23 O ATOM 197 CB VAL A 13 6.451 6.595 -11.913 1.00 64.55 C ATOM 198 CG1 VAL A 13 6.334 7.444 -13.169 1.00 42.33 C ATOM 199 CG2 VAL A 13 7.020 5.222 -12.237 1.00 4.40 C ATOM 0 H VAL A 13 7.055 5.567 -9.714 1.00 72.13 H new ATOM 0 HA VAL A 13 8.285 7.554 -11.303 1.00 54.14 H new ATOM 0 HB VAL A 13 5.451 6.460 -11.502 1.00 64.55 H new ATOM 0 HG11 VAL A 13 5.715 6.926 -13.902 1.00 42.33 H new ATOM 0 HG12 VAL A 13 5.877 8.402 -12.920 1.00 42.33 H new ATOM 0 HG13 VAL A 13 7.326 7.614 -13.587 1.00 42.33 H new ATOM 0 HG21 VAL A 13 6.392 4.735 -12.983 1.00 4.40 H new ATOM 0 HG22 VAL A 13 8.032 5.330 -12.628 1.00 4.40 H new ATOM 0 HG23 VAL A 13 7.044 4.615 -11.332 1.00 4.40 H new ATOM 209 N ALA A 14 5.719 8.456 -9.449 1.00 4.45 N ATOM 210 CA ALA A 14 4.983 9.603 -8.935 1.00 62.41 C ATOM 211 C ALA A 14 5.887 10.509 -8.106 1.00 22.32 C ATOM 212 O ALA A 14 5.771 11.732 -8.157 1.00 34.33 O ATOM 213 CB ALA A 14 3.795 9.139 -8.106 1.00 61.51 C ATOM 0 H ALA A 14 5.480 7.569 -9.007 1.00 4.45 H new ATOM 0 HA ALA A 14 4.617 10.179 -9.785 1.00 62.41 H new ATOM 0 HB1 ALA A 14 3.254 10.007 -7.728 1.00 61.51 H new ATOM 0 HB2 ALA A 14 3.130 8.539 -8.727 1.00 61.51 H new ATOM 0 HB3 ALA A 14 4.149 8.539 -7.268 1.00 61.51 H new ATOM 219 N ASN A 15 6.788 9.899 -7.341 1.00 41.25 N ATOM 220 CA ASN A 15 7.711 10.651 -6.499 1.00 21.11 C ATOM 221 C ASN A 15 8.714 11.425 -7.349 1.00 72.24 C ATOM 222 O ASN A 15 9.274 12.428 -6.906 1.00 2.45 O ATOM 223 CB ASN A 15 8.452 9.707 -5.549 1.00 53.01 C ATOM 224 CG ASN A 15 9.689 10.347 -4.948 1.00 61.05 C ATOM 225 OD1 ASN A 15 10.805 9.868 -5.144 1.00 22.04 O ATOM 226 ND2 ASN A 15 9.493 11.434 -4.211 1.00 23.31 N ATOM 0 H ASN A 15 6.898 8.886 -7.287 1.00 41.25 H new ATOM 0 HA ASN A 15 7.131 11.364 -5.913 1.00 21.11 H new ATOM 0 HB2 ASN A 15 7.779 9.400 -4.748 1.00 53.01 H new ATOM 0 HB3 ASN A 15 8.739 8.804 -6.088 1.00 53.01 H new ATOM 0 HD21 ASN A 15 10.287 11.908 -3.780 1.00 23.31 H new ATOM 0 HD22 ASN A 15 8.549 11.795 -4.076 1.00 23.31 H new ATOM 233 N ALA A 16 8.934 10.954 -8.572 1.00 2.11 N ATOM 234 CA ALA A 16 9.866 11.603 -9.485 1.00 32.02 C ATOM 235 C ALA A 16 9.519 13.077 -9.667 1.00 31.20 C ATOM 236 O ALA A 16 10.405 13.918 -9.823 1.00 74.51 O ATOM 237 CB ALA A 16 9.873 10.890 -10.829 1.00 63.02 C ATOM 0 H ALA A 16 8.479 10.125 -8.953 1.00 2.11 H new ATOM 0 HA ALA A 16 10.864 11.542 -9.050 1.00 32.02 H new ATOM 0 HB1 ALA A 16 10.574 11.386 -11.500 1.00 63.02 H new ATOM 0 HB2 ALA A 16 10.177 9.853 -10.689 1.00 63.02 H new ATOM 0 HB3 ALA A 16 8.873 10.920 -11.262 1.00 63.02 H new ATOM 243 N PHE A 17 8.226 13.382 -9.648 1.00 24.23 N ATOM 244 CA PHE A 17 7.763 14.755 -9.813 1.00 40.33 C ATOM 245 C PHE A 17 8.398 15.673 -8.773 1.00 45.40 C ATOM 246 O PHE A 17 8.528 16.877 -8.990 1.00 32.15 O ATOM 247 CB PHE A 17 6.238 14.817 -9.701 1.00 74.35 C ATOM 248 CG PHE A 17 5.526 13.995 -10.736 1.00 2.31 C ATOM 249 CD1 PHE A 17 5.969 13.976 -12.049 1.00 45.31 C ATOM 250 CD2 PHE A 17 4.414 13.241 -10.397 1.00 43.34 C ATOM 251 CE1 PHE A 17 5.315 13.220 -13.003 1.00 54.45 C ATOM 252 CE2 PHE A 17 3.757 12.483 -11.347 1.00 51.32 C ATOM 253 CZ PHE A 17 4.208 12.471 -12.653 1.00 55.01 C ATOM 0 H PHE A 17 7.481 12.698 -9.520 1.00 24.23 H new ATOM 0 HA PHE A 17 8.063 15.097 -10.804 1.00 40.33 H new ATOM 0 HB2 PHE A 17 5.941 14.475 -8.710 1.00 74.35 H new ATOM 0 HB3 PHE A 17 5.917 15.855 -9.790 1.00 74.35 H new ATOM 0 HD1 PHE A 17 6.834 14.558 -12.330 1.00 45.31 H new ATOM 0 HD2 PHE A 17 4.057 13.246 -9.378 1.00 43.34 H new ATOM 0 HE1 PHE A 17 5.669 13.215 -14.023 1.00 54.45 H new ATOM 0 HE2 PHE A 17 2.891 11.900 -11.069 1.00 51.32 H new ATOM 0 HZ PHE A 17 3.697 11.878 -13.397 1.00 55.01 H new ATOM 263 N GLY A 18 8.793 15.093 -7.644 1.00 35.13 N ATOM 264 CA GLY A 18 9.410 15.874 -6.587 1.00 25.41 C ATOM 265 C GLY A 18 8.390 16.521 -5.672 1.00 45.44 C ATOM 266 O GLY A 18 7.928 17.633 -5.933 1.00 61.42 O ATOM 0 H GLY A 18 8.697 14.098 -7.442 1.00 35.13 H new ATOM 0 HA2 GLY A 18 10.064 15.230 -5.999 1.00 25.41 H new ATOM 0 HA3 GLY A 18 10.038 16.647 -7.030 1.00 25.41 H new ATOM 270 N LEU A 19 8.034 15.824 -4.598 1.00 72.11 N ATOM 271 CA LEU A 19 7.059 16.337 -3.642 1.00 63.05 C ATOM 272 C LEU A 19 7.595 16.246 -2.217 1.00 23.22 C ATOM 273 O LEU A 19 7.985 17.251 -1.625 1.00 75.21 O ATOM 274 CB LEU A 19 5.746 15.560 -3.756 1.00 42.11 C ATOM 275 CG LEU A 19 4.792 16.012 -4.862 1.00 30.41 C ATOM 276 CD1 LEU A 19 4.402 17.469 -4.667 1.00 44.41 C ATOM 277 CD2 LEU A 19 5.427 15.806 -6.229 1.00 54.41 C ATOM 0 H LEU A 19 8.406 14.903 -4.368 1.00 72.11 H new ATOM 0 HA LEU A 19 6.875 17.386 -3.875 1.00 63.05 H new ATOM 0 HB2 LEU A 19 5.982 14.508 -3.915 1.00 42.11 H new ATOM 0 HB3 LEU A 19 5.223 15.628 -2.802 1.00 42.11 H new ATOM 0 HG LEU A 19 3.888 15.405 -4.808 1.00 30.41 H new ATOM 0 HD11 LEU A 19 3.723 17.774 -5.463 1.00 44.41 H new ATOM 0 HD12 LEU A 19 3.907 17.587 -3.703 1.00 44.41 H new ATOM 0 HD13 LEU A 19 5.296 18.092 -4.695 1.00 44.41 H new ATOM 0 HD21 LEU A 19 4.735 16.133 -7.005 1.00 54.41 H new ATOM 0 HD22 LEU A 19 6.346 16.388 -6.295 1.00 54.41 H new ATOM 0 HD23 LEU A 19 5.656 14.749 -6.368 1.00 54.41 H new ATOM 289 N ASN A 20 7.613 15.033 -1.673 1.00 13.12 N ATOM 290 CA ASN A 20 8.103 14.811 -0.317 1.00 11.40 C ATOM 291 C ASN A 20 8.020 13.334 0.056 1.00 43.20 C ATOM 292 O ASN A 20 9.038 12.647 0.139 1.00 13.35 O ATOM 293 CB ASN A 20 7.298 15.645 0.682 1.00 14.33 C ATOM 294 CG ASN A 20 8.113 16.778 1.277 1.00 3.15 C ATOM 295 OD1 ASN A 20 9.269 16.591 1.660 1.00 64.15 O ATOM 296 ND2 ASN A 20 7.514 17.960 1.358 1.00 41.40 N ATOM 0 H ASN A 20 7.294 14.190 -2.150 1.00 13.12 H new ATOM 0 HA ASN A 20 9.148 15.120 -0.280 1.00 11.40 H new ATOM 0 HB2 ASN A 20 6.419 16.055 0.184 1.00 14.33 H new ATOM 0 HB3 ASN A 20 6.938 15.000 1.483 1.00 14.33 H new ATOM 0 HD21 ASN A 20 8.013 18.759 1.750 1.00 41.40 H new ATOM 0 HD22 ASN A 20 6.555 18.069 1.028 1.00 41.40 H new ATOM 303 N GLU A 21 6.801 12.852 0.278 1.00 42.00 N ATOM 304 CA GLU A 21 6.587 11.456 0.642 1.00 73.11 C ATOM 305 C GLU A 21 5.098 11.155 0.790 1.00 15.44 C ATOM 306 O GLU A 21 4.601 10.160 0.265 1.00 1.51 O ATOM 307 CB GLU A 21 7.316 11.128 1.947 1.00 14.31 C ATOM 308 CG GLU A 21 8.107 9.832 1.892 1.00 53.20 C ATOM 309 CD GLU A 21 8.596 9.389 3.257 1.00 40.22 C ATOM 310 OE1 GLU A 21 8.424 10.156 4.227 1.00 61.44 O1- ATOM 311 OE2 GLU A 21 9.151 8.274 3.355 1.00 0.33 O ATOM 0 H GLU A 21 5.948 13.407 0.212 1.00 42.00 H new ATOM 0 HA GLU A 21 6.989 10.833 -0.157 1.00 73.11 H new ATOM 0 HB2 GLU A 21 7.993 11.947 2.191 1.00 14.31 H new ATOM 0 HB3 GLU A 21 6.587 11.065 2.755 1.00 14.31 H new ATOM 0 HG2 GLU A 21 7.484 9.048 1.461 1.00 53.20 H new ATOM 0 HG3 GLU A 21 8.962 9.960 1.228 1.00 53.20 H new ATOM 318 N GLU A 22 4.394 12.023 1.509 1.00 72.14 N ATOM 319 CA GLU A 22 2.962 11.849 1.727 1.00 12.52 C ATOM 320 C GLU A 22 2.181 12.102 0.441 1.00 50.40 C ATOM 321 O GLU A 22 1.196 11.420 0.156 1.00 5.43 O ATOM 322 CB GLU A 22 2.473 12.792 2.828 1.00 15.31 C ATOM 323 CG GLU A 22 1.699 12.091 3.932 1.00 12.44 C ATOM 324 CD GLU A 22 2.597 11.294 4.857 1.00 40.13 C ATOM 325 OE1 GLU A 22 3.816 11.232 4.592 1.00 13.32 O ATOM 326 OE2 GLU A 22 2.082 10.732 5.846 1.00 52.14 O1- ATOM 0 H GLU A 22 4.791 12.853 1.950 1.00 72.14 H new ATOM 0 HA GLU A 22 2.791 10.819 2.039 1.00 12.52 H new ATOM 0 HB2 GLU A 22 3.331 13.302 3.265 1.00 15.31 H new ATOM 0 HB3 GLU A 22 1.839 13.559 2.383 1.00 15.31 H new ATOM 0 HG2 GLU A 22 1.151 12.832 4.513 1.00 12.44 H new ATOM 0 HG3 GLU A 22 0.960 11.425 3.486 1.00 12.44 H new ATOM 333 N ASP A 23 2.627 13.086 -0.332 1.00 74.34 N ATOM 334 CA ASP A 23 1.971 13.430 -1.588 1.00 21.14 C ATOM 335 C ASP A 23 2.003 12.253 -2.557 1.00 62.34 C ATOM 336 O ASP A 23 1.052 12.025 -3.306 1.00 40.53 O ATOM 337 CB ASP A 23 2.645 14.648 -2.223 1.00 40.25 C ATOM 338 CG ASP A 23 2.693 15.838 -1.285 1.00 53.04 C ATOM 339 OD1 ASP A 23 3.656 15.933 -0.497 1.00 14.13 O1- ATOM 340 OD2 ASP A 23 1.766 16.674 -1.340 1.00 25.14 O ATOM 0 H ASP A 23 3.441 13.660 -0.111 1.00 74.34 H new ATOM 0 HA ASP A 23 0.930 13.672 -1.372 1.00 21.14 H new ATOM 0 HB2 ASP A 23 3.659 14.384 -2.522 1.00 40.25 H new ATOM 0 HB3 ASP A 23 2.108 14.925 -3.130 1.00 40.25 H new ATOM 345 N THR A 24 3.102 11.506 -2.539 1.00 24.52 N ATOM 346 CA THR A 24 3.258 10.353 -3.416 1.00 25.43 C ATOM 347 C THR A 24 2.270 9.250 -3.056 1.00 22.14 C ATOM 348 O THR A 24 1.593 8.703 -3.925 1.00 31.11 O ATOM 349 CB THR A 24 4.690 9.786 -3.350 1.00 75.22 C ATOM 350 OG1 THR A 24 5.631 10.784 -3.762 1.00 63.14 O ATOM 351 CG2 THR A 24 4.826 8.556 -4.234 1.00 0.13 C ATOM 0 H THR A 24 3.898 11.679 -1.926 1.00 24.52 H new ATOM 0 HA THR A 24 3.058 10.699 -4.430 1.00 25.43 H new ATOM 0 HB THR A 24 4.896 9.497 -2.319 1.00 75.22 H new ATOM 0 HG1 THR A 24 6.522 10.552 -3.425 1.00 63.14 H new ATOM 0 HG21 THR A 24 5.845 8.174 -4.171 1.00 0.13 H new ATOM 0 HG22 THR A 24 4.129 7.788 -3.899 1.00 0.13 H new ATOM 0 HG23 THR A 24 4.602 8.824 -5.267 1.00 0.13 H new ATOM 359 N ASN A 25 2.193 8.927 -1.769 1.00 74.31 N ATOM 360 CA ASN A 25 1.286 7.889 -1.294 1.00 2.25 C ATOM 361 C ASN A 25 -0.167 8.327 -1.441 1.00 64.33 C ATOM 362 O ASN A 25 -1.037 7.526 -1.787 1.00 51.45 O ATOM 363 CB ASN A 25 1.584 7.552 0.168 1.00 4.23 C ATOM 364 CG ASN A 25 1.990 6.103 0.356 1.00 62.31 C ATOM 365 OD1 ASN A 25 3.013 5.659 -0.166 1.00 34.45 O ATOM 366 ND2 ASN A 25 1.187 5.356 1.105 1.00 61.34 N ATOM 0 H ASN A 25 2.748 9.369 -1.036 1.00 74.31 H new ATOM 0 HA ASN A 25 1.441 6.999 -1.904 1.00 2.25 H new ATOM 0 HB2 ASN A 25 2.381 8.200 0.532 1.00 4.23 H new ATOM 0 HB3 ASN A 25 0.702 7.761 0.773 1.00 4.23 H new ATOM 0 HD21 ASN A 25 1.408 4.373 1.267 1.00 61.34 H new ATOM 0 HD22 ASN A 25 0.349 5.765 1.519 1.00 61.34 H new ATOM 373 N LEU A 26 -0.424 9.603 -1.176 1.00 41.45 N ATOM 374 CA LEU A 26 -1.773 10.149 -1.278 1.00 53.31 C ATOM 375 C LEU A 26 -2.305 10.023 -2.703 1.00 24.42 C ATOM 376 O LEU A 26 -3.486 9.742 -2.914 1.00 73.40 O ATOM 377 CB LEU A 26 -1.785 11.617 -0.847 1.00 64.21 C ATOM 378 CG LEU A 26 -3.148 12.193 -0.462 1.00 64.45 C ATOM 379 CD1 LEU A 26 -3.386 12.049 1.033 1.00 64.11 C ATOM 380 CD2 LEU A 26 -3.248 13.652 -0.882 1.00 72.03 C ATOM 0 H LEU A 26 0.284 10.279 -0.889 1.00 41.45 H new ATOM 0 HA LEU A 26 -2.421 9.576 -0.615 1.00 53.31 H new ATOM 0 HB2 LEU A 26 -1.112 11.731 0.003 1.00 64.21 H new ATOM 0 HB3 LEU A 26 -1.376 12.217 -1.660 1.00 64.21 H new ATOM 0 HG LEU A 26 -3.920 11.631 -0.987 1.00 64.45 H new ATOM 0 HD11 LEU A 26 -4.361 12.465 1.288 1.00 64.11 H new ATOM 0 HD12 LEU A 26 -3.359 10.994 1.306 1.00 64.11 H new ATOM 0 HD13 LEU A 26 -2.609 12.585 1.578 1.00 64.11 H new ATOM 0 HD21 LEU A 26 -4.225 14.046 -0.600 1.00 72.03 H new ATOM 0 HD22 LEU A 26 -2.467 14.228 -0.385 1.00 72.03 H new ATOM 0 HD23 LEU A 26 -3.124 13.729 -1.962 1.00 72.03 H new ATOM 392 N LEU A 27 -1.426 10.229 -3.678 1.00 64.31 N ATOM 393 CA LEU A 27 -1.806 10.136 -5.082 1.00 4.32 C ATOM 394 C LEU A 27 -2.274 8.726 -5.427 1.00 42.51 C ATOM 395 O LEU A 27 -3.333 8.543 -6.029 1.00 44.45 O ATOM 396 CB LEU A 27 -0.628 10.527 -5.977 1.00 72.13 C ATOM 397 CG LEU A 27 -0.853 10.388 -7.483 1.00 44.22 C ATOM 398 CD1 LEU A 27 -1.475 11.654 -8.049 1.00 53.04 C ATOM 399 CD2 LEU A 27 0.456 10.071 -8.191 1.00 31.50 C ATOM 0 H LEU A 27 -0.445 10.462 -3.521 1.00 64.31 H new ATOM 0 HA LEU A 27 -2.632 10.826 -5.256 1.00 4.32 H new ATOM 0 HB2 LEU A 27 -0.364 11.563 -5.764 1.00 72.13 H new ATOM 0 HB3 LEU A 27 0.231 9.916 -5.700 1.00 72.13 H new ATOM 0 HG LEU A 27 -1.544 9.562 -7.653 1.00 44.22 H new ATOM 0 HD11 LEU A 27 -1.628 11.536 -9.122 1.00 53.04 H new ATOM 0 HD12 LEU A 27 -2.434 11.837 -7.564 1.00 53.04 H new ATOM 0 HD13 LEU A 27 -0.810 12.499 -7.868 1.00 53.04 H new ATOM 0 HD21 LEU A 27 0.277 9.976 -9.262 1.00 31.50 H new ATOM 0 HD22 LEU A 27 1.170 10.875 -8.013 1.00 31.50 H new ATOM 0 HD23 LEU A 27 0.860 9.135 -7.806 1.00 31.50 H new ATOM 411 N ILE A 28 -1.480 7.733 -5.042 1.00 65.34 N ATOM 412 CA ILE A 28 -1.816 6.339 -5.307 1.00 2.24 C ATOM 413 C ILE A 28 -3.162 5.972 -4.694 1.00 70.14 C ATOM 414 O ILE A 28 -3.878 5.116 -5.212 1.00 53.03 O ATOM 415 CB ILE A 28 -0.737 5.386 -4.758 1.00 73.15 C ATOM 416 CG1 ILE A 28 0.629 5.730 -5.355 1.00 23.14 C ATOM 417 CG2 ILE A 28 -1.105 3.941 -5.060 1.00 13.12 C ATOM 418 CD1 ILE A 28 0.634 5.778 -6.866 1.00 55.11 C ATOM 0 H ILE A 28 -0.599 7.867 -4.545 1.00 65.34 H new ATOM 0 HA ILE A 28 -1.871 6.228 -6.390 1.00 2.24 H new ATOM 0 HB ILE A 28 -0.681 5.508 -3.676 1.00 73.15 H new ATOM 0 HG12 ILE A 28 0.952 6.696 -4.968 1.00 23.14 H new ATOM 0 HG13 ILE A 28 1.359 4.992 -5.021 1.00 23.14 H new ATOM 0 HG21 ILE A 28 -0.334 3.279 -4.666 1.00 13.12 H new ATOM 0 HG22 ILE A 28 -2.060 3.703 -4.592 1.00 13.12 H new ATOM 0 HG23 ILE A 28 -1.185 3.804 -6.138 1.00 13.12 H new ATOM 0 HD11 ILE A 28 1.635 6.027 -7.219 1.00 55.11 H new ATOM 0 HD12 ILE A 28 0.342 4.805 -7.262 1.00 55.11 H new ATOM 0 HD13 ILE A 28 -0.071 6.536 -7.208 1.00 55.11 H new ATOM 430 N ASN A 29 -3.501 6.626 -3.587 1.00 1.40 N ATOM 431 CA ASN A 29 -4.764 6.368 -2.903 1.00 13.42 C ATOM 432 C ASN A 29 -5.948 6.720 -3.799 1.00 65.51 C ATOM 433 O ASN A 29 -6.918 5.966 -3.887 1.00 1.43 O ATOM 434 CB ASN A 29 -4.836 7.173 -1.604 1.00 65.21 C ATOM 435 CG ASN A 29 -4.783 6.287 -0.373 1.00 54.01 C ATOM 436 OD1 ASN A 29 -5.735 6.230 0.405 1.00 43.03 O ATOM 437 ND2 ASN A 29 -3.666 5.592 -0.193 1.00 23.31 N ATOM 0 H ASN A 29 -2.919 7.338 -3.145 1.00 1.40 H new ATOM 0 HA ASN A 29 -4.812 5.305 -2.668 1.00 13.42 H new ATOM 0 HB2 ASN A 29 -4.010 7.883 -1.573 1.00 65.21 H new ATOM 0 HB3 ASN A 29 -5.758 7.755 -1.591 1.00 65.21 H new ATOM 0 HD21 ASN A 29 -3.572 4.979 0.617 1.00 23.31 H new ATOM 0 HD22 ASN A 29 -2.902 5.671 -0.865 1.00 23.31 H new ATOM 444 N ALA A 30 -5.862 7.869 -4.461 1.00 41.24 N ATOM 445 CA ALA A 30 -6.925 8.319 -5.351 1.00 41.34 C ATOM 446 C ALA A 30 -6.926 7.523 -6.652 1.00 64.44 C ATOM 447 O ALA A 30 -7.979 7.106 -7.136 1.00 12.05 O ATOM 448 CB ALA A 30 -6.778 9.805 -5.640 1.00 33.14 C ATOM 0 H ALA A 30 -5.067 8.505 -4.398 1.00 41.24 H new ATOM 0 HA ALA A 30 -7.879 8.150 -4.851 1.00 41.34 H new ATOM 0 HB1 ALA A 30 -7.579 10.127 -6.306 1.00 33.14 H new ATOM 0 HB2 ALA A 30 -6.835 10.365 -4.706 1.00 33.14 H new ATOM 0 HB3 ALA A 30 -5.815 9.990 -6.115 1.00 33.14 H new ATOM 454 N VAL A 31 -5.739 7.314 -7.214 1.00 75.21 N ATOM 455 CA VAL A 31 -5.603 6.568 -8.459 1.00 62.24 C ATOM 456 C VAL A 31 -6.050 5.121 -8.282 1.00 40.54 C ATOM 457 O VAL A 31 -6.875 4.617 -9.047 1.00 31.13 O ATOM 458 CB VAL A 31 -4.149 6.586 -8.968 1.00 54.24 C ATOM 459 CG1 VAL A 31 -4.072 6.025 -10.379 1.00 41.31 C ATOM 460 CG2 VAL A 31 -3.585 7.997 -8.915 1.00 34.32 C ATOM 0 H VAL A 31 -4.858 7.651 -6.826 1.00 75.21 H new ATOM 0 HA VAL A 31 -6.243 7.057 -9.194 1.00 62.24 H new ATOM 0 HB VAL A 31 -3.545 5.953 -8.317 1.00 54.24 H new ATOM 0 HG11 VAL A 31 -3.038 6.045 -10.723 1.00 41.31 H new ATOM 0 HG12 VAL A 31 -4.435 4.997 -10.382 1.00 41.31 H new ATOM 0 HG13 VAL A 31 -4.688 6.630 -11.045 1.00 41.31 H new ATOM 0 HG21 VAL A 31 -2.557 7.992 -9.278 1.00 34.32 H new ATOM 0 HG22 VAL A 31 -4.188 8.654 -9.542 1.00 34.32 H new ATOM 0 HG23 VAL A 31 -3.605 8.358 -7.887 1.00 34.32 H new ATOM 470 N ASP A 32 -5.501 4.457 -7.272 1.00 62.14 N ATOM 471 CA ASP A 32 -5.845 3.066 -6.995 1.00 35.42 C ATOM 472 C ASP A 32 -7.321 2.933 -6.636 1.00 63.33 C ATOM 473 O ASP A 32 -7.983 1.973 -7.034 1.00 40.24 O ATOM 474 CB ASP A 32 -4.980 2.523 -5.856 1.00 12.34 C ATOM 475 CG ASP A 32 -5.394 1.128 -5.430 1.00 63.41 C ATOM 476 OD1 ASP A 32 -6.430 1.000 -4.743 1.00 5.24 O ATOM 477 OD2 ASP A 32 -4.682 0.165 -5.783 1.00 41.44 O1- ATOM 0 H ASP A 32 -4.816 4.858 -6.631 1.00 62.14 H new ATOM 0 HA ASP A 32 -5.655 2.483 -7.896 1.00 35.42 H new ATOM 0 HB2 ASP A 32 -3.937 2.509 -6.171 1.00 12.34 H new ATOM 0 HB3 ASP A 32 -5.046 3.196 -5.001 1.00 12.34 H new ATOM 482 N LEU A 33 -7.832 3.900 -5.882 1.00 43.13 N ATOM 483 CA LEU A 33 -9.231 3.889 -5.468 1.00 31.32 C ATOM 484 C LEU A 33 -10.157 3.961 -6.679 1.00 70.41 C ATOM 485 O LEU A 33 -11.150 3.237 -6.756 1.00 73.01 O ATOM 486 CB LEU A 33 -9.513 5.060 -4.526 1.00 34.21 C ATOM 487 CG LEU A 33 -10.987 5.389 -4.285 1.00 42.43 C ATOM 488 CD1 LEU A 33 -11.262 5.555 -2.799 1.00 2.35 C ATOM 489 CD2 LEU A 33 -11.384 6.645 -5.046 1.00 53.33 C ATOM 0 H LEU A 33 -7.299 4.702 -5.545 1.00 43.13 H new ATOM 0 HA LEU A 33 -9.422 2.954 -4.942 1.00 31.32 H new ATOM 0 HB2 LEU A 33 -9.047 4.846 -3.564 1.00 34.21 H new ATOM 0 HB3 LEU A 33 -9.024 5.948 -4.927 1.00 34.21 H new ATOM 0 HG LEU A 33 -11.589 4.559 -4.654 1.00 42.43 H new ATOM 0 HD11 LEU A 33 -12.316 5.789 -2.648 1.00 2.35 H new ATOM 0 HD12 LEU A 33 -11.017 4.629 -2.278 1.00 2.35 H new ATOM 0 HD13 LEU A 33 -10.650 6.366 -2.404 1.00 2.35 H new ATOM 0 HD21 LEU A 33 -12.436 6.864 -4.863 1.00 53.33 H new ATOM 0 HD22 LEU A 33 -10.775 7.483 -4.708 1.00 53.33 H new ATOM 0 HD23 LEU A 33 -11.226 6.489 -6.113 1.00 53.33 H new ATOM 501 N ASP A 34 -9.823 4.836 -7.621 1.00 51.01 N ATOM 502 CA ASP A 34 -10.623 5.000 -8.829 1.00 43.30 C ATOM 503 C ASP A 34 -10.670 3.701 -9.630 1.00 32.55 C ATOM 504 O ASP A 34 -11.738 3.264 -10.059 1.00 73.24 O ATOM 505 CB ASP A 34 -10.054 6.126 -9.693 1.00 53.34 C ATOM 506 CG ASP A 34 -10.737 7.455 -9.435 1.00 73.22 C ATOM 507 OD1 ASP A 34 -11.507 7.545 -8.456 1.00 71.21 O1- ATOM 508 OD2 ASP A 34 -10.503 8.404 -10.212 1.00 74.34 O ATOM 0 H ASP A 34 -9.004 5.442 -7.571 1.00 51.01 H new ATOM 0 HA ASP A 34 -11.639 5.259 -8.531 1.00 43.30 H new ATOM 0 HB2 ASP A 34 -8.986 6.226 -9.498 1.00 53.34 H new ATOM 0 HB3 ASP A 34 -10.163 5.863 -10.745 1.00 53.34 H new ATOM 513 N ILE A 35 -9.506 3.092 -9.828 1.00 11.13 N ATOM 514 CA ILE A 35 -9.415 1.845 -10.577 1.00 15.11 C ATOM 515 C ILE A 35 -10.089 0.703 -9.825 1.00 44.44 C ATOM 516 O ILE A 35 -10.790 -0.118 -10.419 1.00 52.42 O ATOM 517 CB ILE A 35 -7.950 1.464 -10.861 1.00 71.51 C ATOM 518 CG1 ILE A 35 -7.285 2.525 -11.742 1.00 63.44 C ATOM 519 CG2 ILE A 35 -7.876 0.097 -11.522 1.00 72.12 C ATOM 520 CD1 ILE A 35 -5.936 2.977 -11.229 1.00 24.22 C ATOM 0 H ILE A 35 -8.613 3.442 -9.480 1.00 11.13 H new ATOM 0 HA ILE A 35 -9.929 2.007 -11.524 1.00 15.11 H new ATOM 0 HB ILE A 35 -7.413 1.417 -9.914 1.00 71.51 H new ATOM 0 HG12 ILE A 35 -7.167 2.127 -12.750 1.00 63.44 H new ATOM 0 HG13 ILE A 35 -7.945 3.389 -11.816 1.00 63.44 H new ATOM 0 HG21 ILE A 35 -6.834 -0.157 -11.716 1.00 72.12 H new ATOM 0 HG22 ILE A 35 -8.315 -0.651 -10.862 1.00 72.12 H new ATOM 0 HG23 ILE A 35 -8.426 0.118 -12.463 1.00 72.12 H new ATOM 0 HD11 ILE A 35 -5.524 3.729 -11.902 1.00 24.22 H new ATOM 0 HD12 ILE A 35 -6.050 3.405 -10.233 1.00 24.22 H new ATOM 0 HD13 ILE A 35 -5.260 2.123 -11.181 1.00 24.22 H new ATOM 532 N LYS A 36 -9.875 0.655 -8.515 1.00 1.44 N ATOM 533 CA LYS A 36 -10.463 -0.385 -7.680 1.00 21.11 C ATOM 534 C LYS A 36 -11.982 -0.401 -7.819 1.00 15.33 C ATOM 535 O LYS A 36 -12.602 -1.462 -7.840 1.00 4.10 O ATOM 536 CB LYS A 36 -10.076 -0.171 -6.215 1.00 61.14 C ATOM 537 CG LYS A 36 -10.821 -1.078 -5.250 1.00 54.34 C ATOM 538 CD LYS A 36 -11.980 -0.355 -4.586 1.00 34.43 C ATOM 539 CE LYS A 36 -11.491 0.623 -3.527 1.00 74.00 C ATOM 540 NZ LYS A 36 -12.044 1.991 -3.738 1.00 22.31 N1+ ATOM 0 H LYS A 36 -9.298 1.326 -8.008 1.00 1.44 H new ATOM 0 HA LYS A 36 -10.075 -1.347 -8.015 1.00 21.11 H new ATOM 0 HB2 LYS A 36 -9.005 -0.337 -6.103 1.00 61.14 H new ATOM 0 HB3 LYS A 36 -10.267 0.868 -5.945 1.00 61.14 H new ATOM 0 HG2 LYS A 36 -11.194 -1.951 -5.785 1.00 54.34 H new ATOM 0 HG3 LYS A 36 -10.133 -1.442 -4.487 1.00 54.34 H new ATOM 0 HD2 LYS A 36 -12.556 0.181 -5.340 1.00 34.43 H new ATOM 0 HD3 LYS A 36 -12.651 -1.083 -4.129 1.00 34.43 H new ATOM 0 HE2 LYS A 36 -11.779 0.263 -2.539 1.00 74.00 H new ATOM 0 HE3 LYS A 36 -10.402 0.664 -3.546 1.00 74.00 H new ATOM 0 HZ1 LYS A 36 -11.272 2.644 -3.980 1.00 22.31 H new ATOM 0 HZ2 LYS A 36 -12.736 1.970 -4.514 1.00 22.31 H new ATOM 0 HZ3 LYS A 36 -12.511 2.315 -2.867 1.00 22.31 H new ATOM 554 N ASN A 37 -12.574 0.786 -7.916 1.00 54.40 N ATOM 555 CA ASN A 37 -14.021 0.908 -8.055 1.00 10.14 C ATOM 556 C ASN A 37 -14.498 0.275 -9.359 1.00 64.00 C ATOM 557 O ASN A 37 -15.627 -0.207 -9.449 1.00 13.23 O ATOM 558 CB ASN A 37 -14.436 2.381 -8.009 1.00 24.32 C ATOM 559 CG ASN A 37 -15.032 2.771 -6.670 1.00 3.32 C ATOM 560 OD1 ASN A 37 -14.313 2.957 -5.688 1.00 50.15 O ATOM 561 ND2 ASN A 37 -16.353 2.898 -6.626 1.00 63.23 N ATOM 0 H ASN A 37 -12.075 1.675 -7.901 1.00 54.40 H new ATOM 0 HA ASN A 37 -14.487 0.379 -7.223 1.00 10.14 H new ATOM 0 HB2 ASN A 37 -13.568 3.007 -8.214 1.00 24.32 H new ATOM 0 HB3 ASN A 37 -15.162 2.576 -8.798 1.00 24.32 H new ATOM 0 HD21 ASN A 37 -16.811 3.160 -5.753 1.00 63.23 H new ATOM 0 HD22 ASN A 37 -16.909 2.734 -7.465 1.00 63.23 H new ATOM 568 N ASN A 38 -13.630 0.279 -10.365 1.00 71.00 N ATOM 569 CA ASN A 38 -13.962 -0.295 -11.663 1.00 41.41 C ATOM 570 C ASN A 38 -13.688 -1.796 -11.681 1.00 55.21 C ATOM 571 O ASN A 38 -14.275 -2.535 -12.471 1.00 41.30 O ATOM 572 CB ASN A 38 -13.160 0.394 -12.769 1.00 13.41 C ATOM 573 CG ASN A 38 -13.972 0.593 -14.035 1.00 23.51 C ATOM 574 OD1 ASN A 38 -14.073 -0.307 -14.869 1.00 71.23 O ATOM 575 ND2 ASN A 38 -14.556 1.777 -14.183 1.00 4.11 N ATOM 0 H ASN A 38 -12.691 0.674 -10.306 1.00 71.00 H new ATOM 0 HA ASN A 38 -15.025 -0.136 -11.841 1.00 41.41 H new ATOM 0 HB2 ASN A 38 -12.809 1.361 -12.410 1.00 13.41 H new ATOM 0 HB3 ASN A 38 -12.276 -0.201 -12.998 1.00 13.41 H new ATOM 0 HD21 ASN A 38 -15.115 1.969 -15.014 1.00 4.11 H new ATOM 0 HD22 ASN A 38 -14.445 2.494 -13.466 1.00 4.11 H new ATOM 582 N MET A 39 -12.794 -2.239 -10.804 1.00 10.13 N ATOM 583 CA MET A 39 -12.443 -3.651 -10.718 1.00 62.32 C ATOM 584 C MET A 39 -13.686 -4.506 -10.487 1.00 23.25 C ATOM 585 O MET A 39 -13.710 -5.687 -10.833 1.00 11.43 O ATOM 586 CB MET A 39 -11.436 -3.881 -9.590 1.00 65.41 C ATOM 587 CG MET A 39 -10.059 -4.299 -10.079 1.00 54.13 C ATOM 588 SD MET A 39 -9.321 -3.087 -11.192 1.00 23.12 S ATOM 589 CE MET A 39 -8.005 -4.057 -11.925 1.00 44.25 C ATOM 0 H MET A 39 -12.299 -1.640 -10.143 1.00 10.13 H new ATOM 0 HA MET A 39 -11.990 -3.946 -11.665 1.00 62.32 H new ATOM 0 HB2 MET A 39 -11.342 -2.966 -9.006 1.00 65.41 H new ATOM 0 HB3 MET A 39 -11.823 -4.649 -8.920 1.00 65.41 H new ATOM 0 HG2 MET A 39 -9.402 -4.447 -9.222 1.00 54.13 H new ATOM 0 HG3 MET A 39 -10.135 -5.258 -10.591 1.00 54.13 H new ATOM 0 HE1 MET A 39 -7.300 -3.394 -12.426 1.00 44.25 H new ATOM 0 HE2 MET A 39 -7.487 -4.616 -11.145 1.00 44.25 H new ATOM 0 HE3 MET A 39 -8.427 -4.753 -12.651 1.00 44.25 H new ATOM 1232 N LEU B 179 -10.656 7.595 -14.191 1.00 3.51 N ATOM 1233 CA LEU B 179 -9.664 8.379 -13.464 1.00 44.52 C ATOM 1234 C LEU B 179 -9.762 9.856 -13.832 1.00 22.10 C ATOM 1235 O LEU B 179 -8.758 10.565 -13.867 1.00 33.22 O ATOM 1236 CB LEU B 179 -8.256 7.860 -13.764 1.00 65.30 C ATOM 1237 CG LEU B 179 -7.863 6.551 -13.076 1.00 54.23 C ATOM 1238 CD1 LEU B 179 -6.646 5.939 -13.752 1.00 34.21 C ATOM 1239 CD2 LEU B 179 -7.594 6.785 -11.597 1.00 53.31 C ATOM 0 HA LEU B 179 -9.864 8.275 -12.398 1.00 44.52 H new ATOM 0 HB2 LEU B 179 -8.162 7.723 -14.841 1.00 65.30 H new ATOM 0 HB3 LEU B 179 -7.538 8.628 -13.477 1.00 65.30 H new ATOM 0 HG LEU B 179 -8.694 5.851 -13.166 1.00 54.23 H new ATOM 0 HD11 LEU B 179 -6.380 5.009 -13.250 1.00 34.21 H new ATOM 0 HD12 LEU B 179 -6.875 5.734 -14.798 1.00 34.21 H new ATOM 0 HD13 LEU B 179 -5.809 6.635 -13.693 1.00 34.21 H new ATOM 0 HD21 LEU B 179 -7.316 5.843 -11.124 1.00 53.31 H new ATOM 0 HD22 LEU B 179 -6.781 7.502 -11.484 1.00 53.31 H new ATOM 0 HD23 LEU B 179 -8.493 7.178 -11.122 1.00 53.31 H new ATOM 1251 N ASN B 180 -10.981 10.313 -14.103 1.00 33.43 N ATOM 1252 CA ASN B 180 -11.211 11.707 -14.465 1.00 12.42 C ATOM 1253 C ASN B 180 -10.641 12.645 -13.406 1.00 13.23 C ATOM 1254 O ASN B 180 -9.892 13.570 -13.721 1.00 63.32 O ATOM 1255 CB ASN B 180 -12.708 11.969 -14.643 1.00 1.51 C ATOM 1256 CG ASN B 180 -13.294 11.201 -15.813 1.00 73.11 C ATOM 1257 OD1 ASN B 180 -13.630 10.023 -15.690 1.00 55.31 O ATOM 1258 ND2 ASN B 180 -13.418 11.867 -16.955 1.00 20.52 N ATOM 0 H ASN B 180 -11.824 9.739 -14.079 1.00 33.43 H new ATOM 0 HA ASN B 180 -10.701 11.901 -15.408 1.00 12.42 H new ATOM 0 HB2 ASN B 180 -13.234 11.691 -13.730 1.00 1.51 H new ATOM 0 HB3 ASN B 180 -12.872 13.036 -14.793 1.00 1.51 H new ATOM 0 HD21 ASN B 180 -13.805 11.403 -17.777 1.00 20.52 H new ATOM 0 HD22 ASN B 180 -13.126 12.843 -17.011 1.00 20.52 H new ATOM 1265 N ASN B 181 -11.001 12.402 -12.151 1.00 45.13 N ATOM 1266 CA ASN B 181 -10.527 13.225 -11.045 1.00 2.25 C ATOM 1267 C ASN B 181 -9.040 12.991 -10.793 1.00 42.00 C ATOM 1268 O ASN B 181 -8.289 13.929 -10.523 1.00 14.24 O ATOM 1269 CB ASN B 181 -11.325 12.920 -9.776 1.00 31.03 C ATOM 1270 CG ASN B 181 -12.763 13.388 -9.872 1.00 73.24 C ATOM 1271 OD1 ASN B 181 -13.693 12.580 -9.862 1.00 4.04 O ATOM 1272 ND2 ASN B 181 -12.955 14.698 -9.967 1.00 34.12 N ATOM 0 H ASN B 181 -11.620 11.641 -11.874 1.00 45.13 H new ATOM 0 HA ASN B 181 -10.672 14.271 -11.314 1.00 2.25 H new ATOM 0 HB2 ASN B 181 -11.307 11.847 -9.588 1.00 31.03 H new ATOM 0 HB3 ASN B 181 -10.845 13.401 -8.924 1.00 31.03 H new ATOM 0 HD21 ASN B 181 -13.902 15.071 -10.035 1.00 34.12 H new ATOM 0 HD22 ASN B 181 -12.156 15.332 -9.972 1.00 34.12 H new ATOM 1279 N THR B 182 -8.620 11.733 -10.882 1.00 13.01 N ATOM 1280 CA THR B 182 -7.225 11.375 -10.663 1.00 12.35 C ATOM 1281 C THR B 182 -6.311 12.095 -11.649 1.00 1.32 C ATOM 1282 O THR B 182 -5.241 12.580 -11.281 1.00 75.53 O ATOM 1283 CB THR B 182 -7.006 9.856 -10.794 1.00 15.21 C ATOM 1284 OG1 THR B 182 -7.586 9.180 -9.673 1.00 5.25 O ATOM 1285 CG2 THR B 182 -5.523 9.527 -10.881 1.00 73.45 C ATOM 0 H THR B 182 -9.227 10.944 -11.105 1.00 13.01 H new ATOM 0 HA THR B 182 -6.976 11.684 -9.648 1.00 12.35 H new ATOM 0 HB THR B 182 -7.489 9.519 -11.711 1.00 15.21 H new ATOM 0 HG1 THR B 182 -8.516 8.948 -9.876 1.00 5.25 H new ATOM 0 HG21 THR B 182 -5.394 8.449 -10.973 1.00 73.45 H new ATOM 0 HG22 THR B 182 -5.092 10.019 -11.752 1.00 73.45 H new ATOM 0 HG23 THR B 182 -5.019 9.877 -9.980 1.00 73.45 H new ATOM 1293 N LYS B 183 -6.740 12.162 -12.905 1.00 61.42 N ATOM 1294 CA LYS B 183 -5.963 12.824 -13.945 1.00 31.45 C ATOM 1295 C LYS B 183 -5.637 14.261 -13.549 1.00 32.21 C ATOM 1296 O LYS B 183 -4.556 14.770 -13.850 1.00 73.44 O ATOM 1297 CB LYS B 183 -6.727 12.811 -15.270 1.00 60.15 C ATOM 1298 CG LYS B 183 -5.985 13.489 -16.409 1.00 71.54 C ATOM 1299 CD LYS B 183 -6.839 13.566 -17.664 1.00 65.12 C ATOM 1300 CE LYS B 183 -6.951 14.994 -18.175 1.00 24.01 C ATOM 1301 NZ LYS B 183 -8.230 15.224 -18.902 1.00 25.44 N1+ ATOM 0 H LYS B 183 -7.623 11.765 -13.227 1.00 61.42 H new ATOM 0 HA LYS B 183 -5.028 12.277 -14.067 1.00 31.45 H new ATOM 0 HB2 LYS B 183 -6.936 11.778 -15.548 1.00 60.15 H new ATOM 0 HB3 LYS B 183 -7.689 13.305 -15.130 1.00 60.15 H new ATOM 0 HG2 LYS B 183 -5.691 14.494 -16.106 1.00 71.54 H new ATOM 0 HG3 LYS B 183 -5.068 12.940 -16.625 1.00 71.54 H new ATOM 0 HD2 LYS B 183 -6.406 12.934 -18.439 1.00 65.12 H new ATOM 0 HD3 LYS B 183 -7.834 13.175 -17.453 1.00 65.12 H new ATOM 0 HE2 LYS B 183 -6.880 15.686 -17.336 1.00 24.01 H new ATOM 0 HE3 LYS B 183 -6.113 15.209 -18.838 1.00 24.01 H new ATOM 0 HZ1 LYS B 183 -8.268 16.209 -19.234 1.00 25.44 H new ATOM 0 HZ2 LYS B 183 -8.286 14.581 -19.717 1.00 25.44 H new ATOM 0 HZ3 LYS B 183 -9.030 15.043 -18.263 1.00 25.44 H new ATOM 1315 N LYS B 184 -6.577 14.911 -12.871 1.00 51.22 N ATOM 1316 CA LYS B 184 -6.390 16.288 -12.431 1.00 30.23 C ATOM 1317 C LYS B 184 -5.426 16.356 -11.251 1.00 22.51 C ATOM 1318 O LYS B 184 -4.696 17.335 -11.088 1.00 65.43 O ATOM 1319 CB LYS B 184 -7.734 16.908 -12.041 1.00 5.11 C ATOM 1320 CG LYS B 184 -8.246 17.930 -13.043 1.00 45.14 C ATOM 1321 CD LYS B 184 -9.162 18.947 -12.383 1.00 4.21 C ATOM 1322 CE LYS B 184 -8.377 20.127 -11.832 1.00 20.13 C ATOM 1323 NZ LYS B 184 -8.985 21.429 -12.225 1.00 22.24 N1+ ATOM 0 H LYS B 184 -7.477 14.505 -12.614 1.00 51.22 H new ATOM 0 HA LYS B 184 -5.963 16.853 -13.260 1.00 30.23 H new ATOM 0 HB2 LYS B 184 -8.473 16.114 -11.934 1.00 5.11 H new ATOM 0 HB3 LYS B 184 -7.635 17.385 -11.066 1.00 5.11 H new ATOM 0 HG2 LYS B 184 -7.402 18.444 -13.504 1.00 45.14 H new ATOM 0 HG3 LYS B 184 -8.783 17.420 -13.842 1.00 45.14 H new ATOM 0 HD2 LYS B 184 -9.895 19.302 -13.107 1.00 4.21 H new ATOM 0 HD3 LYS B 184 -9.717 18.469 -11.576 1.00 4.21 H new ATOM 0 HE2 LYS B 184 -8.334 20.059 -10.745 1.00 20.13 H new ATOM 0 HE3 LYS B 184 -7.350 20.081 -12.195 1.00 20.13 H new ATOM 0 HZ1 LYS B 184 -8.421 22.209 -11.830 1.00 22.24 H new ATOM 0 HZ2 LYS B 184 -9.003 21.505 -13.262 1.00 22.24 H new ATOM 0 HZ3 LYS B 184 -9.956 21.484 -11.857 1.00 22.24 H new ATOM 1337 N VAL B 185 -5.427 15.310 -10.431 1.00 0.35 N ATOM 1338 CA VAL B 185 -4.550 15.250 -9.267 1.00 41.20 C ATOM 1339 C VAL B 185 -3.089 15.133 -9.685 1.00 20.24 C ATOM 1340 O VAL B 185 -2.206 15.723 -9.065 1.00 34.33 O ATOM 1341 CB VAL B 185 -4.909 14.061 -8.355 1.00 3.33 C ATOM 1342 CG1 VAL B 185 -4.040 14.065 -7.106 1.00 51.32 C ATOM 1343 CG2 VAL B 185 -6.385 14.098 -7.989 1.00 1.13 C ATOM 0 H VAL B 185 -6.025 14.493 -10.551 1.00 0.35 H new ATOM 0 HA VAL B 185 -4.693 16.179 -8.714 1.00 41.20 H new ATOM 0 HB VAL B 185 -4.717 13.136 -8.899 1.00 3.33 H new ATOM 0 HG11 VAL B 185 -4.308 13.218 -6.474 1.00 51.32 H new ATOM 0 HG12 VAL B 185 -2.991 13.987 -7.392 1.00 51.32 H new ATOM 0 HG13 VAL B 185 -4.198 14.993 -6.556 1.00 51.32 H new ATOM 0 HG21 VAL B 185 -6.621 13.251 -7.345 1.00 1.13 H new ATOM 0 HG22 VAL B 185 -6.606 15.027 -7.463 1.00 1.13 H new ATOM 0 HG23 VAL B 185 -6.986 14.042 -8.896 1.00 1.13 H new ATOM 1353 N ALA B 186 -2.841 14.366 -10.743 1.00 34.33 N ATOM 1354 CA ALA B 186 -1.486 14.174 -11.246 1.00 73.34 C ATOM 1355 C ALA B 186 -0.965 15.441 -11.915 1.00 3.34 C ATOM 1356 O ALA B 186 0.243 15.657 -12.001 1.00 24.34 O ATOM 1357 CB ALA B 186 -1.447 13.005 -12.219 1.00 12.23 C ATOM 0 H ALA B 186 -3.560 13.868 -11.267 1.00 34.33 H new ATOM 0 HA ALA B 186 -0.837 13.950 -10.399 1.00 73.34 H new ATOM 0 HB1 ALA B 186 -0.430 12.872 -12.587 1.00 12.23 H new ATOM 0 HB2 ALA B 186 -1.770 12.097 -11.710 1.00 12.23 H new ATOM 0 HB3 ALA B 186 -2.113 13.207 -13.058 1.00 12.23 H new ATOM 1363 N ASN B 187 -1.883 16.276 -12.390 1.00 43.34 N ATOM 1364 CA ASN B 187 -1.515 17.521 -13.054 1.00 63.31 C ATOM 1365 C ASN B 187 -1.156 18.596 -12.032 1.00 73.15 C ATOM 1366 O ASN B 187 -0.432 19.542 -12.340 1.00 4.42 O ATOM 1367 CB ASN B 187 -2.661 18.008 -13.942 1.00 55.33 C ATOM 1368 CG ASN B 187 -2.504 19.462 -14.344 1.00 3.22 C ATOM 1369 OD1 ASN B 187 -1.567 19.822 -15.057 1.00 32.23 O ATOM 1370 ND2 ASN B 187 -3.423 20.305 -13.888 1.00 23.32 N ATOM 0 H ASN B 187 -2.888 16.113 -12.327 1.00 43.34 H new ATOM 0 HA ASN B 187 -0.640 17.328 -13.675 1.00 63.31 H new ATOM 0 HB2 ASN B 187 -2.710 17.390 -14.838 1.00 55.33 H new ATOM 0 HB3 ASN B 187 -3.606 17.880 -13.414 1.00 55.33 H new ATOM 0 HD21 ASN B 187 -3.369 21.295 -14.126 1.00 23.32 H new ATOM 0 HD22 ASN B 187 -4.182 19.962 -13.300 1.00 23.32 H new ATOM 1377 N ALA B 188 -1.670 18.444 -10.816 1.00 25.34 N ATOM 1378 CA ALA B 188 -1.401 19.398 -9.748 1.00 35.21 C ATOM 1379 C ALA B 188 0.088 19.455 -9.423 1.00 42.41 C ATOM 1380 O ALA B 188 0.611 20.502 -9.041 1.00 53.03 O ATOM 1381 CB ALA B 188 -2.201 19.040 -8.506 1.00 73.42 C ATOM 0 H ALA B 188 -2.275 17.669 -10.546 1.00 25.34 H new ATOM 0 HA ALA B 188 -1.708 20.386 -10.092 1.00 35.21 H new ATOM 0 HB1 ALA B 188 -1.990 19.761 -7.717 1.00 73.42 H new ATOM 0 HB2 ALA B 188 -3.265 19.060 -8.740 1.00 73.42 H new ATOM 0 HB3 ALA B 188 -1.922 18.042 -8.169 1.00 73.42 H new ATOM 1387 N PHE B 189 0.765 18.322 -9.576 1.00 30.20 N ATOM 1388 CA PHE B 189 2.195 18.243 -9.297 1.00 44.33 C ATOM 1389 C PHE B 189 2.966 19.284 -10.102 1.00 72.05 C ATOM 1390 O PHE B 189 4.047 19.715 -9.707 1.00 10.32 O ATOM 1391 CB PHE B 189 2.721 16.843 -9.617 1.00 65.33 C ATOM 1392 CG PHE B 189 2.226 15.785 -8.672 1.00 65.41 C ATOM 1393 CD1 PHE B 189 2.202 16.014 -7.306 1.00 32.22 C ATOM 1394 CD2 PHE B 189 1.784 14.562 -9.150 1.00 20.30 C ATOM 1395 CE1 PHE B 189 1.747 15.043 -6.434 1.00 53.52 C ATOM 1396 CE2 PHE B 189 1.328 13.587 -8.282 1.00 43.41 C ATOM 1397 CZ PHE B 189 1.309 13.828 -6.923 1.00 62.13 C ATOM 0 H PHE B 189 0.347 17.446 -9.891 1.00 30.20 H new ATOM 0 HA PHE B 189 2.344 18.447 -8.237 1.00 44.33 H new ATOM 0 HB2 PHE B 189 2.428 16.577 -10.633 1.00 65.33 H new ATOM 0 HB3 PHE B 189 3.811 16.859 -9.593 1.00 65.33 H new ATOM 0 HD1 PHE B 189 2.543 16.962 -6.918 1.00 32.22 H new ATOM 0 HD2 PHE B 189 1.796 14.368 -10.212 1.00 20.30 H new ATOM 0 HE1 PHE B 189 1.734 15.234 -5.371 1.00 53.52 H new ATOM 0 HE2 PHE B 189 0.987 12.637 -8.667 1.00 43.41 H new ATOM 0 HZ PHE B 189 0.952 13.068 -6.244 1.00 62.13 H new ATOM 1407 N GLY B 190 2.398 19.685 -11.236 1.00 14.40 N ATOM 1408 CA GLY B 190 3.045 20.673 -12.081 1.00 64.03 C ATOM 1409 C GLY B 190 4.060 20.054 -13.022 1.00 14.43 C ATOM 1410 O GLY B 190 5.207 19.817 -12.642 1.00 12.13 O ATOM 0 H GLY B 190 1.502 19.344 -11.584 1.00 14.40 H new ATOM 0 HA2 GLY B 190 2.289 21.200 -12.663 1.00 64.03 H new ATOM 0 HA3 GLY B 190 3.540 21.415 -11.454 1.00 64.03 H new ATOM 1414 N LEU B 191 3.638 19.790 -14.254 1.00 24.42 N ATOM 1415 CA LEU B 191 4.518 19.193 -15.252 1.00 13.24 C ATOM 1416 C LEU B 191 4.244 19.775 -16.636 1.00 25.22 C ATOM 1417 O LEU B 191 5.018 20.586 -17.144 1.00 60.21 O ATOM 1418 CB LEU B 191 4.336 17.675 -15.280 1.00 0.03 C ATOM 1419 CG LEU B 191 4.885 16.911 -14.074 1.00 55.22 C ATOM 1420 CD1 LEU B 191 3.815 16.005 -13.484 1.00 41.33 C ATOM 1421 CD2 LEU B 191 6.112 16.103 -14.468 1.00 11.14 C ATOM 0 H LEU B 191 2.692 19.980 -14.585 1.00 24.42 H new ATOM 0 HA LEU B 191 5.547 19.424 -14.977 1.00 13.24 H new ATOM 0 HB2 LEU B 191 3.271 17.458 -15.368 1.00 0.03 H new ATOM 0 HB3 LEU B 191 4.816 17.288 -16.179 1.00 0.03 H new ATOM 0 HG LEU B 191 5.180 17.634 -13.314 1.00 55.22 H new ATOM 0 HD11 LEU B 191 4.224 15.469 -12.627 1.00 41.33 H new ATOM 0 HD12 LEU B 191 2.965 16.607 -13.164 1.00 41.33 H new ATOM 0 HD13 LEU B 191 3.489 15.288 -14.238 1.00 41.33 H new ATOM 0 HD21 LEU B 191 6.489 15.566 -13.598 1.00 11.14 H new ATOM 0 HD22 LEU B 191 5.843 15.389 -15.246 1.00 11.14 H new ATOM 0 HD23 LEU B 191 6.885 16.774 -14.843 1.00 11.14 H new ATOM 1433 N ASN B 192 3.137 19.356 -17.240 1.00 44.10 N ATOM 1434 CA ASN B 192 2.760 19.836 -18.565 1.00 21.23 C ATOM 1435 C ASN B 192 1.447 19.207 -19.018 1.00 45.43 C ATOM 1436 O ASN B 192 0.407 19.864 -19.040 1.00 30.41 O ATOM 1437 CB ASN B 192 3.865 19.524 -19.577 1.00 63.40 C ATOM 1438 CG ASN B 192 4.685 20.749 -19.933 1.00 70.32 C ATOM 1439 OD1 ASN B 192 5.896 20.784 -19.714 1.00 61.00 O ATOM 1440 ND2 ASN B 192 4.026 21.762 -20.485 1.00 25.05 N ATOM 0 H ASN B 192 2.485 18.685 -16.833 1.00 44.10 H new ATOM 0 HA ASN B 192 2.624 20.916 -18.508 1.00 21.23 H new ATOM 0 HB2 ASN B 192 4.522 18.756 -19.168 1.00 63.40 H new ATOM 0 HB3 ASN B 192 3.419 19.113 -20.483 1.00 63.40 H new ATOM 0 HD21 ASN B 192 4.524 22.613 -20.746 1.00 25.05 H new ATOM 0 HD22 ASN B 192 3.022 21.689 -20.648 1.00 25.05 H new ATOM 1447 N GLU B 193 1.503 17.928 -19.380 1.00 20.44 N ATOM 1448 CA GLU B 193 0.318 17.210 -19.833 1.00 61.03 C ATOM 1449 C GLU B 193 0.655 15.760 -20.168 1.00 71.23 C ATOM 1450 O GLU B 193 -0.132 14.852 -19.900 1.00 14.03 O ATOM 1451 CB GLU B 193 -0.287 17.900 -21.058 1.00 22.33 C ATOM 1452 CG GLU B 193 -1.786 18.121 -20.954 1.00 62.12 C ATOM 1453 CD GLU B 193 -2.539 16.854 -20.594 1.00 21.24 C ATOM 1454 OE1 GLU B 193 -2.533 15.908 -21.409 1.00 24.15 O1- ATOM 1455 OE2 GLU B 193 -3.133 16.810 -19.496 1.00 50.20 O ATOM 0 H GLU B 193 2.356 17.369 -19.368 1.00 20.44 H new ATOM 0 HA GLU B 193 -0.411 17.218 -19.023 1.00 61.03 H new ATOM 0 HB2 GLU B 193 0.204 18.862 -21.202 1.00 22.33 H new ATOM 0 HB3 GLU B 193 -0.077 17.299 -21.943 1.00 22.33 H new ATOM 0 HG2 GLU B 193 -1.986 18.884 -20.202 1.00 62.12 H new ATOM 0 HG3 GLU B 193 -2.160 18.504 -21.904 1.00 62.12 H new ATOM 1462 N GLU B 194 1.829 15.551 -20.754 1.00 14.43 N ATOM 1463 CA GLU B 194 2.269 14.212 -21.127 1.00 1.02 C ATOM 1464 C GLU B 194 2.617 13.390 -19.890 1.00 22.31 C ATOM 1465 O GLU B 194 2.380 12.183 -19.847 1.00 61.03 O ATOM 1466 CB GLU B 194 3.482 14.290 -22.058 1.00 53.13 C ATOM 1467 CG GLU B 194 3.261 13.617 -23.402 1.00 20.02 C ATOM 1468 CD GLU B 194 3.847 14.409 -24.555 1.00 74.51 C ATOM 1469 OE1 GLU B 194 4.928 15.008 -24.373 1.00 43.30 O ATOM 1470 OE2 GLU B 194 3.225 14.431 -25.637 1.00 61.24 O1- ATOM 0 H GLU B 194 2.493 16.292 -20.981 1.00 14.43 H new ATOM 0 HA GLU B 194 1.449 13.721 -21.651 1.00 1.02 H new ATOM 0 HB2 GLU B 194 3.736 15.337 -22.223 1.00 53.13 H new ATOM 0 HB3 GLU B 194 4.338 13.828 -21.566 1.00 53.13 H new ATOM 0 HG2 GLU B 194 3.708 12.623 -23.384 1.00 20.02 H new ATOM 0 HG3 GLU B 194 2.192 13.482 -23.565 1.00 20.02 H new ATOM 1477 N ASP B 195 3.181 14.052 -18.885 1.00 13.32 N ATOM 1478 CA ASP B 195 3.561 13.384 -17.646 1.00 51.41 C ATOM 1479 C ASP B 195 2.334 12.829 -16.931 1.00 62.34 C ATOM 1480 O ASP B 195 2.353 11.707 -16.421 1.00 3.04 O ATOM 1481 CB ASP B 195 4.307 14.353 -16.728 1.00 31.35 C ATOM 1482 CG ASP B 195 5.575 14.891 -17.361 1.00 13.44 C ATOM 1483 OD1 ASP B 195 5.482 15.859 -18.145 1.00 70.34 O1- ATOM 1484 OD2 ASP B 195 6.661 14.344 -17.075 1.00 71.53 O ATOM 0 H ASP B 195 3.385 15.051 -18.905 1.00 13.32 H new ATOM 0 HA ASP B 195 4.220 12.553 -17.897 1.00 51.41 H new ATOM 0 HB2 ASP B 195 3.651 15.185 -16.473 1.00 31.35 H new ATOM 0 HB3 ASP B 195 4.557 13.846 -15.796 1.00 31.35 H new ATOM 1489 N THR B 196 1.267 13.620 -16.894 1.00 74.34 N ATOM 1490 CA THR B 196 0.032 13.209 -16.238 1.00 2.12 C ATOM 1491 C THR B 196 -0.553 11.965 -16.898 1.00 33.23 C ATOM 1492 O THR B 196 -0.915 11.004 -16.221 1.00 64.02 O ATOM 1493 CB THR B 196 -1.020 14.333 -16.265 1.00 55.24 C ATOM 1494 OG1 THR B 196 -0.491 15.515 -15.653 1.00 5.10 O ATOM 1495 CG2 THR B 196 -2.288 13.906 -15.541 1.00 3.01 C ATOM 0 H THR B 196 1.233 14.550 -17.311 1.00 74.34 H new ATOM 0 HA THR B 196 0.285 12.983 -15.202 1.00 2.12 H new ATOM 0 HB THR B 196 -1.268 14.543 -17.306 1.00 55.24 H new ATOM 0 HG1 THR B 196 -1.098 16.267 -15.816 1.00 5.10 H new ATOM 0 HG21 THR B 196 -3.016 14.717 -15.574 1.00 3.01 H new ATOM 0 HG22 THR B 196 -2.705 13.024 -16.027 1.00 3.01 H new ATOM 0 HG23 THR B 196 -2.053 13.671 -14.503 1.00 3.01 H new ATOM 1503 N ASN B 197 -0.641 11.991 -18.224 1.00 63.23 N ATOM 1504 CA ASN B 197 -1.182 10.865 -18.976 1.00 60.44 C ATOM 1505 C ASN B 197 -0.267 9.649 -18.869 1.00 30.14 C ATOM 1506 O ASN B 197 -0.732 8.512 -18.783 1.00 75.54 O ATOM 1507 CB ASN B 197 -1.370 11.248 -20.445 1.00 11.13 C ATOM 1508 CG ASN B 197 -2.574 10.570 -21.071 1.00 5.15 C ATOM 1509 OD1 ASN B 197 -2.469 9.466 -21.605 1.00 4.02 O ATOM 1510 ND2 ASN B 197 -3.724 11.229 -21.007 1.00 63.33 N ATOM 0 H ASN B 197 -0.345 12.779 -18.800 1.00 63.23 H new ATOM 0 HA ASN B 197 -2.151 10.607 -18.548 1.00 60.44 H new ATOM 0 HB2 ASN B 197 -1.484 12.329 -20.524 1.00 11.13 H new ATOM 0 HB3 ASN B 197 -0.474 10.980 -21.005 1.00 11.13 H new ATOM 0 HD21 ASN B 197 -4.568 10.822 -21.410 1.00 63.33 H new ATOM 0 HD22 ASN B 197 -3.764 12.142 -20.554 1.00 63.33 H new ATOM 1517 N LEU B 198 1.039 9.897 -18.876 1.00 62.22 N ATOM 1518 CA LEU B 198 2.021 8.822 -18.779 1.00 12.31 C ATOM 1519 C LEU B 198 1.993 8.181 -17.395 1.00 12.01 C ATOM 1520 O LEU B 198 2.138 6.965 -17.260 1.00 35.44 O ATOM 1521 CB LEU B 198 3.423 9.359 -19.076 1.00 53.12 C ATOM 1522 CG LEU B 198 4.463 8.321 -19.499 1.00 3.44 C ATOM 1523 CD1 LEU B 198 5.135 8.737 -20.798 1.00 4.31 C ATOM 1524 CD2 LEU B 198 5.498 8.124 -18.401 1.00 34.33 C ATOM 0 H LEU B 198 1.442 10.831 -18.948 1.00 62.22 H new ATOM 0 HA LEU B 198 1.765 8.061 -19.516 1.00 12.31 H new ATOM 0 HB2 LEU B 198 3.344 10.107 -19.865 1.00 53.12 H new ATOM 0 HB3 LEU B 198 3.790 9.871 -18.186 1.00 53.12 H new ATOM 0 HG LEU B 198 3.953 7.372 -19.665 1.00 3.44 H new ATOM 0 HD11 LEU B 198 5.872 7.986 -21.083 1.00 4.31 H new ATOM 0 HD12 LEU B 198 4.385 8.826 -21.584 1.00 4.31 H new ATOM 0 HD13 LEU B 198 5.631 9.698 -20.660 1.00 4.31 H new ATOM 0 HD21 LEU B 198 6.230 7.382 -18.720 1.00 34.33 H new ATOM 0 HD22 LEU B 198 6.003 9.070 -18.203 1.00 34.33 H new ATOM 0 HD23 LEU B 198 5.004 7.779 -17.493 1.00 34.33 H new ATOM 1536 N LEU B 199 1.803 9.005 -16.371 1.00 21.44 N ATOM 1537 CA LEU B 199 1.753 8.519 -14.996 1.00 14.52 C ATOM 1538 C LEU B 199 0.583 7.560 -14.801 1.00 41.31 C ATOM 1539 O LEU B 199 0.747 6.469 -14.251 1.00 34.24 O ATOM 1540 CB LEU B 199 1.632 9.693 -14.023 1.00 43.22 C ATOM 1541 CG LEU B 199 2.167 9.452 -12.611 1.00 40.40 C ATOM 1542 CD1 LEU B 199 1.372 8.357 -11.918 1.00 44.44 C ATOM 1543 CD2 LEU B 199 3.645 9.094 -12.655 1.00 3.51 C ATOM 0 H LEU B 199 1.681 10.013 -16.466 1.00 21.44 H new ATOM 0 HA LEU B 199 2.679 7.981 -14.793 1.00 14.52 H new ATOM 0 HB2 LEU B 199 2.158 10.547 -14.449 1.00 43.22 H new ATOM 0 HB3 LEU B 199 0.581 9.971 -13.949 1.00 43.22 H new ATOM 0 HG LEU B 199 2.053 10.372 -12.038 1.00 40.40 H new ATOM 0 HD11 LEU B 199 1.767 8.200 -10.915 1.00 44.44 H new ATOM 0 HD12 LEU B 199 0.325 8.653 -11.853 1.00 44.44 H new ATOM 0 HD13 LEU B 199 1.453 7.432 -12.489 1.00 44.44 H new ATOM 0 HD21 LEU B 199 4.009 8.926 -11.641 1.00 3.51 H new ATOM 0 HD22 LEU B 199 3.782 8.188 -13.245 1.00 3.51 H new ATOM 0 HD23 LEU B 199 4.204 9.912 -13.110 1.00 3.51 H new ATOM 1555 N ILE B 200 -0.595 7.971 -15.257 1.00 60.43 N ATOM 1556 CA ILE B 200 -1.791 7.146 -15.134 1.00 50.42 C ATOM 1557 C ILE B 200 -1.650 5.853 -15.930 1.00 24.42 C ATOM 1558 O ILE B 200 -2.216 4.823 -15.564 1.00 0.45 O ATOM 1559 CB ILE B 200 -3.045 7.898 -15.617 1.00 54.34 C ATOM 1560 CG1 ILE B 200 -3.283 9.141 -14.758 1.00 33.20 C ATOM 1561 CG2 ILE B 200 -4.259 6.982 -15.581 1.00 73.44 C ATOM 1562 CD1 ILE B 200 -4.439 9.993 -15.235 1.00 61.14 C ATOM 0 H ILE B 200 -0.747 8.870 -15.715 1.00 60.43 H new ATOM 0 HA ILE B 200 -1.904 6.909 -14.076 1.00 50.42 H new ATOM 0 HB ILE B 200 -2.885 8.216 -16.647 1.00 54.34 H new ATOM 0 HG12 ILE B 200 -3.470 8.832 -13.730 1.00 33.20 H new ATOM 0 HG13 ILE B 200 -2.376 9.746 -14.749 1.00 33.20 H new ATOM 0 HG21 ILE B 200 -5.137 7.528 -15.925 1.00 73.44 H new ATOM 0 HG22 ILE B 200 -4.087 6.124 -16.231 1.00 73.44 H new ATOM 0 HG23 ILE B 200 -4.424 6.636 -14.561 1.00 73.44 H new ATOM 0 HD11 ILE B 200 -4.549 10.857 -14.579 1.00 61.14 H new ATOM 0 HD12 ILE B 200 -4.245 10.332 -16.252 1.00 61.14 H new ATOM 0 HD13 ILE B 200 -5.356 9.404 -15.217 1.00 61.14 H new ATOM 1574 N ASN B 201 -0.890 5.914 -17.018 1.00 45.02 N ATOM 1575 CA ASN B 201 -0.673 4.746 -17.864 1.00 42.23 C ATOM 1576 C ASN B 201 0.056 3.645 -17.098 1.00 74.40 C ATOM 1577 O ASN B 201 -0.233 2.462 -17.267 1.00 71.03 O ATOM 1578 CB ASN B 201 0.130 5.133 -19.107 1.00 55.31 C ATOM 1579 CG ASN B 201 0.182 4.018 -20.133 1.00 5.33 C ATOM 1580 OD1 ASN B 201 1.261 3.573 -20.528 1.00 61.13 O ATOM 1581 ND2 ASN B 201 -0.985 3.560 -20.570 1.00 32.40 N ATOM 0 H ASN B 201 -0.414 6.759 -17.335 1.00 45.02 H new ATOM 0 HA ASN B 201 -1.647 4.366 -18.171 1.00 42.23 H new ATOM 0 HB2 ASN B 201 -0.313 6.020 -19.561 1.00 55.31 H new ATOM 0 HB3 ASN B 201 1.145 5.399 -18.812 1.00 55.31 H new ATOM 0 HD21 ASN B 201 -1.012 2.810 -21.261 1.00 32.40 H new ATOM 0 HD22 ASN B 201 -1.854 3.958 -20.215 1.00 32.40 H new ATOM 1588 N ALA B 202 1.002 4.047 -16.255 1.00 42.33 N ATOM 1589 CA ALA B 202 1.770 3.096 -15.461 1.00 62.24 C ATOM 1590 C ALA B 202 0.928 2.522 -14.325 1.00 11.12 C ATOM 1591 O ALA B 202 0.962 1.321 -14.059 1.00 51.31 O ATOM 1592 CB ALA B 202 3.022 3.760 -14.907 1.00 14.51 C ATOM 0 H ALA B 202 1.254 5.024 -16.105 1.00 42.33 H new ATOM 0 HA ALA B 202 2.065 2.273 -16.112 1.00 62.24 H new ATOM 0 HB1 ALA B 202 3.586 3.038 -14.316 1.00 14.51 H new ATOM 0 HB2 ALA B 202 3.640 4.116 -15.731 1.00 14.51 H new ATOM 0 HB3 ALA B 202 2.738 4.602 -14.276 1.00 14.51 H new ATOM 1598 N VAL B 203 0.173 3.390 -13.659 1.00 64.33 N ATOM 1599 CA VAL B 203 -0.678 2.969 -12.552 1.00 73.11 C ATOM 1600 C VAL B 203 -1.830 2.099 -13.044 1.00 54.14 C ATOM 1601 O VAL B 203 -2.054 1.002 -12.535 1.00 62.34 O ATOM 1602 CB VAL B 203 -1.252 4.181 -11.793 1.00 44.21 C ATOM 1603 CG1 VAL B 203 -1.836 3.746 -10.457 1.00 41.34 C ATOM 1604 CG2 VAL B 203 -0.180 5.241 -11.596 1.00 1.40 C ATOM 0 H VAL B 203 0.133 4.388 -13.866 1.00 64.33 H new ATOM 0 HA VAL B 203 -0.052 2.388 -11.874 1.00 73.11 H new ATOM 0 HB VAL B 203 -2.055 4.615 -12.389 1.00 44.21 H new ATOM 0 HG11 VAL B 203 -2.237 4.615 -9.935 1.00 41.34 H new ATOM 0 HG12 VAL B 203 -2.635 3.024 -10.627 1.00 41.34 H new ATOM 0 HG13 VAL B 203 -1.055 3.287 -9.851 1.00 41.34 H new ATOM 0 HG21 VAL B 203 -0.602 6.090 -11.058 1.00 1.40 H new ATOM 0 HG22 VAL B 203 0.645 4.821 -11.021 1.00 1.40 H new ATOM 0 HG23 VAL B 203 0.187 5.573 -12.567 1.00 1.40 H new ATOM 1614 N ASP B 204 -2.557 2.597 -14.038 1.00 33.33 N ATOM 1615 CA ASP B 204 -3.685 1.866 -14.602 1.00 72.25 C ATOM 1616 C ASP B 204 -3.245 0.500 -15.117 1.00 4.45 C ATOM 1617 O ASP B 204 -3.940 -0.500 -14.934 1.00 53.11 O ATOM 1618 CB ASP B 204 -4.328 2.670 -15.733 1.00 63.24 C ATOM 1619 CG ASP B 204 -5.350 1.862 -16.508 1.00 54.45 C ATOM 1620 OD1 ASP B 204 -6.488 1.715 -16.015 1.00 54.43 O1- ATOM 1621 OD2 ASP B 204 -5.013 1.375 -17.608 1.00 13.02 O ATOM 0 H ASP B 204 -2.385 3.505 -14.470 1.00 33.33 H new ATOM 0 HA ASP B 204 -4.420 1.716 -13.811 1.00 72.25 H new ATOM 0 HB2 ASP B 204 -4.808 3.556 -15.318 1.00 63.24 H new ATOM 0 HB3 ASP B 204 -3.552 3.018 -16.414 1.00 63.24 H new ATOM 1626 N LEU B 205 -2.085 0.464 -15.766 1.00 31.20 N ATOM 1627 CA LEU B 205 -1.551 -0.779 -16.310 1.00 3.44 C ATOM 1628 C LEU B 205 -1.013 -1.674 -15.198 1.00 63.13 C ATOM 1629 O LEU B 205 -1.157 -2.896 -15.247 1.00 11.23 O ATOM 1630 CB LEU B 205 -0.442 -0.481 -17.321 1.00 1.12 C ATOM 1631 CG LEU B 205 -0.899 0.039 -18.684 1.00 45.13 C ATOM 1632 CD1 LEU B 205 0.300 0.342 -19.569 1.00 21.21 C ATOM 1633 CD2 LEU B 205 -1.819 -0.968 -19.358 1.00 61.12 C ATOM 0 H LEU B 205 -1.497 1.282 -15.928 1.00 31.20 H new ATOM 0 HA LEU B 205 -2.363 -1.304 -16.813 1.00 3.44 H new ATOM 0 HB2 LEU B 205 0.234 0.253 -16.883 1.00 1.12 H new ATOM 0 HB3 LEU B 205 0.135 -1.393 -17.477 1.00 1.12 H new ATOM 0 HG LEU B 205 -1.455 0.964 -18.530 1.00 45.13 H new ATOM 0 HD11 LEU B 205 -0.045 0.711 -20.535 1.00 21.21 H new ATOM 0 HD12 LEU B 205 0.922 1.100 -19.092 1.00 21.21 H new ATOM 0 HD13 LEU B 205 0.883 -0.567 -19.715 1.00 21.21 H new ATOM 0 HD21 LEU B 205 -2.134 -0.581 -20.327 1.00 61.12 H new ATOM 0 HD22 LEU B 205 -1.287 -1.909 -19.499 1.00 61.12 H new ATOM 0 HD23 LEU B 205 -2.695 -1.136 -18.732 1.00 61.12 H new ATOM 1645 N ASP B 206 -0.397 -1.058 -14.196 1.00 23.33 N ATOM 1646 CA ASP B 206 0.159 -1.798 -13.069 1.00 32.34 C ATOM 1647 C ASP B 206 -0.945 -2.494 -12.278 1.00 22.21 C ATOM 1648 O ASP B 206 -0.838 -3.678 -11.955 1.00 31.21 O ATOM 1649 CB ASP B 206 0.945 -0.859 -12.152 1.00 3.44 C ATOM 1650 CG ASP B 206 2.394 -0.717 -12.576 1.00 11.41 C ATOM 1651 OD1 ASP B 206 3.022 -1.747 -12.902 1.00 54.25 O ATOM 1652 OD2 ASP B 206 2.901 0.424 -12.582 1.00 40.45 O1- ATOM 0 H ASP B 206 -0.270 -0.047 -14.141 1.00 23.33 H new ATOM 0 HA ASP B 206 0.834 -2.558 -13.463 1.00 32.34 H new ATOM 0 HB2 ASP B 206 0.472 0.123 -12.150 1.00 3.44 H new ATOM 0 HB3 ASP B 206 0.903 -1.235 -11.130 1.00 3.44 H new ATOM 1657 N ILE B 207 -2.002 -1.752 -11.969 1.00 54.23 N ATOM 1658 CA ILE B 207 -3.125 -2.297 -11.217 1.00 31.50 C ATOM 1659 C ILE B 207 -3.873 -3.347 -12.031 1.00 60.22 C ATOM 1660 O ILE B 207 -4.204 -4.420 -11.526 1.00 71.04 O ATOM 1661 CB ILE B 207 -4.110 -1.192 -10.795 1.00 50.12 C ATOM 1662 CG1 ILE B 207 -3.443 -0.233 -9.807 1.00 30.32 C ATOM 1663 CG2 ILE B 207 -5.362 -1.804 -10.184 1.00 35.51 C ATOM 1664 CD1 ILE B 207 -4.310 0.948 -9.431 1.00 74.10 C ATOM 0 H ILE B 207 -2.105 -0.771 -12.228 1.00 54.23 H new ATOM 0 HA ILE B 207 -2.710 -2.762 -10.323 1.00 31.50 H new ATOM 0 HB ILE B 207 -4.400 -0.627 -11.681 1.00 50.12 H new ATOM 0 HG12 ILE B 207 -3.179 -0.782 -8.903 1.00 30.32 H new ATOM 0 HG13 ILE B 207 -2.513 0.133 -10.241 1.00 30.32 H new ATOM 0 HG21 ILE B 207 -6.049 -1.010 -9.891 1.00 35.51 H new ATOM 0 HG22 ILE B 207 -5.846 -2.450 -10.916 1.00 35.51 H new ATOM 0 HG23 ILE B 207 -5.089 -2.391 -9.307 1.00 35.51 H new ATOM 0 HD11 ILE B 207 -3.773 1.585 -8.728 1.00 74.10 H new ATOM 0 HD12 ILE B 207 -4.553 1.520 -10.326 1.00 74.10 H new ATOM 0 HD13 ILE B 207 -5.230 0.591 -8.967 1.00 74.10 H new ATOM 1676 N LYS B 208 -4.137 -3.031 -13.294 1.00 15.11 N ATOM 1677 CA LYS B 208 -4.844 -3.947 -14.181 1.00 64.33 C ATOM 1678 C LYS B 208 -4.024 -5.210 -14.425 1.00 55.21 C ATOM 1679 O LYS B 208 -4.569 -6.309 -14.509 1.00 74.34 O ATOM 1680 CB LYS B 208 -5.155 -3.261 -15.513 1.00 52.54 C ATOM 1681 CG LYS B 208 -5.867 -4.161 -16.508 1.00 11.31 C ATOM 1682 CD LYS B 208 -6.101 -3.454 -17.833 1.00 34.32 C ATOM 1683 CE LYS B 208 -7.261 -4.071 -18.598 1.00 23.13 C ATOM 1684 NZ LYS B 208 -7.649 -3.247 -19.776 1.00 45.42 N1+ ATOM 0 H LYS B 208 -3.872 -2.146 -13.727 1.00 15.11 H new ATOM 0 HA LYS B 208 -5.780 -4.231 -13.699 1.00 64.33 H new ATOM 0 HB2 LYS B 208 -5.772 -2.382 -15.324 1.00 52.54 H new ATOM 0 HB3 LYS B 208 -4.224 -2.908 -15.956 1.00 52.54 H new ATOM 0 HG2 LYS B 208 -5.275 -5.061 -16.675 1.00 11.31 H new ATOM 0 HG3 LYS B 208 -6.822 -4.481 -16.092 1.00 11.31 H new ATOM 0 HD2 LYS B 208 -6.304 -2.398 -17.652 1.00 34.32 H new ATOM 0 HD3 LYS B 208 -5.196 -3.506 -18.439 1.00 34.32 H new ATOM 0 HE2 LYS B 208 -6.986 -5.072 -18.930 1.00 23.13 H new ATOM 0 HE3 LYS B 208 -8.118 -4.180 -17.933 1.00 23.13 H new ATOM 0 HZ1 LYS B 208 -8.443 -3.701 -20.271 1.00 45.42 H new ATOM 0 HZ2 LYS B 208 -7.936 -2.300 -19.457 1.00 45.42 H new ATOM 0 HZ3 LYS B 208 -6.839 -3.164 -20.423 1.00 45.42 H new ATOM 1698 N ASN B 209 -2.710 -5.043 -14.538 1.00 65.21 N ATOM 1699 CA ASN B 209 -1.815 -6.170 -14.772 1.00 13.34 C ATOM 1700 C ASN B 209 -1.862 -7.153 -13.606 1.00 5.40 C ATOM 1701 O ASN B 209 -1.834 -8.367 -13.805 1.00 24.13 O ATOM 1702 CB ASN B 209 -0.382 -5.675 -14.978 1.00 43.41 C ATOM 1703 CG ASN B 209 0.591 -6.810 -15.235 1.00 62.15 C ATOM 1704 OD1 ASN B 209 0.489 -7.516 -16.239 1.00 54.25 O ATOM 1705 ND2 ASN B 209 1.542 -6.991 -14.326 1.00 53.23 N ATOM 0 H ASN B 209 -2.242 -4.139 -14.471 1.00 65.21 H new ATOM 0 HA ASN B 209 -2.148 -6.686 -15.673 1.00 13.34 H new ATOM 0 HB2 ASN B 209 -0.357 -4.982 -15.819 1.00 43.41 H new ATOM 0 HB3 ASN B 209 -0.062 -5.119 -14.097 1.00 43.41 H new ATOM 0 HD21 ASN B 209 2.225 -7.739 -14.445 1.00 53.23 H new ATOM 0 HD22 ASN B 209 1.589 -6.382 -13.509 1.00 53.23 H new