USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=5 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: B 187 ASN : amide:sc= -0.745 K(o=-1.9,f=-2.8) USER MOD Set 1.2: B 196 THR OG1 : rot 90:sc= -1.11 USER MOD Set 2.1: A 15 ASN : amide:sc= -0.119 X(o=-0.16,f=0.32) USER MOD Set 2.2: A 24 THR OG1 : rot -50:sc= -0.0404 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 10 THR OG1 : rot -130:sc= -0.0321 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 20 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.08) USER MOD Single : A 25 ASN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0778 K(o=-0.078,f=-0.82) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.4!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -171:sc= -0.0759 (180deg=-0.301) USER MOD Single : B 180 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.5!) USER MOD Single : B 181 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 182 THR OG1 : rot 70:sc= -1.22 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 192 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.7) USER MOD Single : B 197 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 201 ASN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : B 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 ASN : amide:sc= -0.018 K(o=-0.018,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 2.500 -1.058 -5.831 1.00 54.12 N ATOM 89 CA LEU A 7 2.867 -0.021 -6.788 1.00 24.23 C ATOM 90 C LEU A 7 4.224 0.584 -6.443 1.00 51.42 C ATOM 91 O LEU A 7 4.355 1.798 -6.294 1.00 72.52 O ATOM 92 CB LEU A 7 1.800 1.076 -6.815 1.00 12.41 C ATOM 93 CG LEU A 7 0.554 0.779 -7.650 1.00 53.15 C ATOM 94 CD1 LEU A 7 -0.648 1.533 -7.102 1.00 30.15 C ATOM 95 CD2 LEU A 7 0.791 1.136 -9.109 1.00 31.21 C ATOM 0 HA LEU A 7 2.934 -0.480 -7.774 1.00 24.23 H new ATOM 0 HB2 LEU A 7 1.487 1.276 -5.790 1.00 12.41 H new ATOM 0 HB3 LEU A 7 2.257 1.990 -7.193 1.00 12.41 H new ATOM 0 HG LEU A 7 0.345 -0.289 -7.589 1.00 53.15 H new ATOM 0 HD11 LEU A 7 -1.525 1.309 -7.709 1.00 30.15 H new ATOM 0 HD12 LEU A 7 -0.831 1.226 -6.072 1.00 30.15 H new ATOM 0 HD13 LEU A 7 -0.450 2.604 -7.132 1.00 30.15 H new ATOM 0 HD21 LEU A 7 -0.107 0.918 -9.687 1.00 31.21 H new ATOM 0 HD22 LEU A 7 1.026 2.197 -9.190 1.00 31.21 H new ATOM 0 HD23 LEU A 7 1.624 0.549 -9.496 1.00 31.21 H new ATOM 107 N ASN A 8 5.233 -0.272 -6.319 1.00 50.43 N ATOM 108 CA ASN A 8 6.582 0.177 -5.992 1.00 25.44 C ATOM 109 C ASN A 8 7.149 1.051 -7.108 1.00 62.33 C ATOM 110 O ASN A 8 7.673 2.135 -6.855 1.00 40.55 O ATOM 111 CB ASN A 8 7.498 -1.024 -5.754 1.00 11.32 C ATOM 112 CG ASN A 8 8.804 -0.633 -5.089 1.00 24.32 C ATOM 113 OD1 ASN A 8 9.837 -0.510 -5.748 1.00 73.44 O ATOM 114 ND2 ASN A 8 8.763 -0.432 -3.777 1.00 71.31 N ATOM 0 H ASN A 8 5.142 -1.281 -6.440 1.00 50.43 H new ATOM 0 HA ASN A 8 6.530 0.771 -5.080 1.00 25.44 H new ATOM 0 HB2 ASN A 8 6.981 -1.754 -5.131 1.00 11.32 H new ATOM 0 HB3 ASN A 8 7.710 -1.510 -6.706 1.00 11.32 H new ATOM 0 HD21 ASN A 8 9.610 -0.164 -3.275 1.00 71.31 H new ATOM 0 HD22 ASN A 8 7.885 -0.545 -3.271 1.00 71.31 H new ATOM 121 N ASN A 9 7.037 0.571 -8.342 1.00 43.51 N ATOM 122 CA ASN A 9 7.540 1.308 -9.496 1.00 75.43 C ATOM 123 C ASN A 9 6.754 2.600 -9.699 1.00 51.43 C ATOM 124 O ASN A 9 7.334 3.665 -9.915 1.00 32.23 O ATOM 125 CB ASN A 9 7.454 0.443 -10.756 1.00 53.23 C ATOM 126 CG ASN A 9 8.337 -0.787 -10.673 1.00 34.11 C ATOM 127 OD1 ASN A 9 7.881 -1.909 -10.899 1.00 21.31 O ATOM 128 ND2 ASN A 9 9.608 -0.583 -10.348 1.00 23.12 N ATOM 0 H ASN A 9 6.603 -0.324 -8.569 1.00 43.51 H new ATOM 0 HA ASN A 9 8.583 1.563 -9.308 1.00 75.43 H new ATOM 0 HB2 ASN A 9 6.420 0.135 -10.912 1.00 53.23 H new ATOM 0 HB3 ASN A 9 7.744 1.038 -11.622 1.00 53.23 H new ATOM 0 HD21 ASN A 9 10.249 -1.373 -10.277 1.00 23.12 H new ATOM 0 HD22 ASN A 9 9.943 0.364 -10.169 1.00 23.12 H new ATOM 135 N THR A 10 5.430 2.500 -9.627 1.00 10.32 N ATOM 136 CA THR A 10 4.566 3.659 -9.803 1.00 21.32 C ATOM 137 C THR A 10 4.800 4.691 -8.706 1.00 24.42 C ATOM 138 O THR A 10 4.959 5.881 -8.981 1.00 30.31 O ATOM 139 CB THR A 10 3.079 3.257 -9.805 1.00 73.21 C ATOM 140 OG1 THR A 10 2.781 2.488 -10.977 1.00 3.04 O ATOM 141 CG2 THR A 10 2.184 4.486 -9.758 1.00 13.14 C ATOM 0 H THR A 10 4.933 1.627 -9.448 1.00 10.32 H new ATOM 0 HA THR A 10 4.818 4.096 -10.769 1.00 21.32 H new ATOM 0 HB THR A 10 2.888 2.655 -8.917 1.00 73.21 H new ATOM 0 HG1 THR A 10 1.987 2.857 -11.417 1.00 3.04 H new ATOM 0 HG21 THR A 10 1.139 4.176 -9.760 1.00 13.14 H new ATOM 0 HG22 THR A 10 2.392 5.053 -8.851 1.00 13.14 H new ATOM 0 HG23 THR A 10 2.379 5.111 -10.629 1.00 13.14 H new ATOM 149 N LYS A 11 4.819 4.229 -7.461 1.00 42.21 N ATOM 150 CA LYS A 11 5.035 5.111 -6.320 1.00 4.24 C ATOM 151 C LYS A 11 6.333 5.897 -6.478 1.00 45.20 C ATOM 152 O LYS A 11 6.417 7.062 -6.089 1.00 63.12 O ATOM 153 CB LYS A 11 5.072 4.301 -5.022 1.00 21.34 C ATOM 154 CG LYS A 11 5.221 5.155 -3.775 1.00 25.24 C ATOM 155 CD LYS A 11 5.225 4.307 -2.515 1.00 24.13 C ATOM 156 CE LYS A 11 3.818 4.117 -1.967 1.00 42.25 C ATOM 157 NZ LYS A 11 3.334 2.721 -2.154 1.00 21.13 N1+ ATOM 0 H LYS A 11 4.687 3.248 -7.216 1.00 42.21 H new ATOM 0 HA LYS A 11 4.206 5.817 -6.277 1.00 4.24 H new ATOM 0 HB2 LYS A 11 4.156 3.715 -4.943 1.00 21.34 H new ATOM 0 HB3 LYS A 11 5.900 3.594 -5.069 1.00 21.34 H new ATOM 0 HG2 LYS A 11 6.147 5.726 -3.833 1.00 25.24 H new ATOM 0 HG3 LYS A 11 4.405 5.876 -3.727 1.00 25.24 H new ATOM 0 HD2 LYS A 11 5.667 3.334 -2.731 1.00 24.13 H new ATOM 0 HD3 LYS A 11 5.851 4.780 -1.758 1.00 24.13 H new ATOM 0 HE2 LYS A 11 3.805 4.367 -0.906 1.00 42.25 H new ATOM 0 HE3 LYS A 11 3.138 4.807 -2.466 1.00 42.25 H new ATOM 0 HZ1 LYS A 11 2.372 2.632 -1.768 1.00 21.13 H new ATOM 0 HZ2 LYS A 11 3.323 2.490 -3.168 1.00 21.13 H new ATOM 0 HZ3 LYS A 11 3.969 2.064 -1.657 1.00 21.13 H new ATOM 171 N LYS A 12 7.343 5.253 -7.053 1.00 71.13 N ATOM 172 CA LYS A 12 8.637 5.892 -7.266 1.00 71.45 C ATOM 173 C LYS A 12 8.552 6.935 -8.375 1.00 34.22 C ATOM 174 O LYS A 12 9.262 7.940 -8.351 1.00 11.15 O ATOM 175 CB LYS A 12 9.694 4.843 -7.616 1.00 44.32 C ATOM 176 CG LYS A 12 11.039 5.092 -6.955 1.00 32.14 C ATOM 177 CD LYS A 12 12.138 5.292 -7.986 1.00 22.10 C ATOM 178 CE LYS A 12 13.242 6.193 -7.455 1.00 61.22 C ATOM 179 NZ LYS A 12 12.920 7.635 -7.644 1.00 53.31 N1+ ATOM 0 H LYS A 12 7.291 4.288 -7.380 1.00 71.13 H new ATOM 0 HA LYS A 12 8.924 6.394 -6.342 1.00 71.45 H new ATOM 0 HB2 LYS A 12 9.330 3.859 -7.320 1.00 44.32 H new ATOM 0 HB3 LYS A 12 9.828 4.821 -8.697 1.00 44.32 H new ATOM 0 HG2 LYS A 12 10.974 5.972 -6.316 1.00 32.14 H new ATOM 0 HG3 LYS A 12 11.291 4.249 -6.312 1.00 32.14 H new ATOM 0 HD2 LYS A 12 12.558 4.325 -8.264 1.00 22.10 H new ATOM 0 HD3 LYS A 12 11.715 5.728 -8.891 1.00 22.10 H new ATOM 0 HE2 LYS A 12 13.397 5.991 -6.395 1.00 61.22 H new ATOM 0 HE3 LYS A 12 14.177 5.960 -7.964 1.00 61.22 H new ATOM 0 HZ1 LYS A 12 13.697 8.216 -7.269 1.00 53.31 H new ATOM 0 HZ2 LYS A 12 12.797 7.833 -8.657 1.00 53.31 H new ATOM 0 HZ3 LYS A 12 12.041 7.864 -7.137 1.00 53.31 H new ATOM 193 N VAL A 13 7.678 6.690 -9.347 1.00 43.25 N ATOM 194 CA VAL A 13 7.499 7.609 -10.464 1.00 21.20 C ATOM 195 C VAL A 13 6.872 8.920 -10.001 1.00 75.42 C ATOM 196 O VAL A 13 7.243 9.996 -10.469 1.00 22.24 O ATOM 197 CB VAL A 13 6.617 6.991 -11.564 1.00 74.12 C ATOM 198 CG1 VAL A 13 6.414 7.977 -12.704 1.00 24.41 C ATOM 199 CG2 VAL A 13 7.230 5.695 -12.072 1.00 51.33 C ATOM 0 H VAL A 13 7.083 5.862 -9.383 1.00 43.25 H new ATOM 0 HA VAL A 13 8.490 7.807 -10.873 1.00 21.20 H new ATOM 0 HB VAL A 13 5.641 6.762 -11.136 1.00 74.12 H new ATOM 0 HG11 VAL A 13 5.788 7.522 -13.472 1.00 24.41 H new ATOM 0 HG12 VAL A 13 5.928 8.876 -12.325 1.00 24.41 H new ATOM 0 HG13 VAL A 13 7.381 8.241 -13.133 1.00 24.41 H new ATOM 0 HG21 VAL A 13 6.594 5.272 -12.849 1.00 51.33 H new ATOM 0 HG22 VAL A 13 8.219 5.897 -12.483 1.00 51.33 H new ATOM 0 HG23 VAL A 13 7.317 4.986 -11.248 1.00 51.33 H new ATOM 209 N ALA A 14 5.920 8.821 -9.079 1.00 22.42 N ATOM 210 CA ALA A 14 5.243 10.000 -8.552 1.00 71.33 C ATOM 211 C ALA A 14 6.169 10.807 -7.650 1.00 41.52 C ATOM 212 O ALA A 14 6.137 12.037 -7.653 1.00 0.24 O ATOM 213 CB ALA A 14 3.989 9.591 -7.793 1.00 24.32 C ATOM 0 H ALA A 14 5.600 7.938 -8.682 1.00 22.42 H new ATOM 0 HA ALA A 14 4.957 10.632 -9.393 1.00 71.33 H new ATOM 0 HB1 ALA A 14 3.493 10.480 -7.404 1.00 24.32 H new ATOM 0 HB2 ALA A 14 3.313 9.062 -8.465 1.00 24.32 H new ATOM 0 HB3 ALA A 14 4.262 8.937 -6.965 1.00 24.32 H new ATOM 219 N ASN A 15 6.993 10.108 -6.877 1.00 54.41 N ATOM 220 CA ASN A 15 7.929 10.760 -5.968 1.00 14.41 C ATOM 221 C ASN A 15 8.962 11.574 -6.743 1.00 62.15 C ATOM 222 O ASN A 15 9.532 12.531 -6.219 1.00 54.50 O ATOM 223 CB ASN A 15 8.633 9.720 -5.094 1.00 2.32 C ATOM 224 CG ASN A 15 9.261 10.334 -3.858 1.00 22.32 C ATOM 225 OD1 ASN A 15 10.468 10.575 -3.814 1.00 34.31 O ATOM 226 ND2 ASN A 15 8.442 10.591 -2.844 1.00 14.13 N ATOM 0 H ASN A 15 7.032 9.089 -6.862 1.00 54.41 H new ATOM 0 HA ASN A 15 7.363 11.438 -5.329 1.00 14.41 H new ATOM 0 HB2 ASN A 15 7.915 8.957 -4.793 1.00 2.32 H new ATOM 0 HB3 ASN A 15 9.404 9.219 -5.679 1.00 2.32 H new ATOM 0 HD21 ASN A 15 8.807 11.004 -1.986 1.00 14.13 H new ATOM 0 HD22 ASN A 15 7.448 10.375 -2.924 1.00 14.13 H new ATOM 233 N ALA A 16 9.196 11.187 -7.992 1.00 31.22 N ATOM 234 CA ALA A 16 10.157 11.882 -8.840 1.00 70.43 C ATOM 235 C ALA A 16 9.767 13.344 -9.026 1.00 32.14 C ATOM 236 O ALA A 16 10.625 14.205 -9.226 1.00 1.12 O ATOM 237 CB ALA A 16 10.270 11.187 -10.189 1.00 61.30 C ATOM 0 H ALA A 16 8.733 10.396 -8.440 1.00 31.22 H new ATOM 0 HA ALA A 16 11.129 11.852 -8.347 1.00 70.43 H new ATOM 0 HB1 ALA A 16 10.991 11.717 -10.812 1.00 61.30 H new ATOM 0 HB2 ALA A 16 10.603 10.160 -10.042 1.00 61.30 H new ATOM 0 HB3 ALA A 16 9.297 11.186 -10.681 1.00 61.30 H new ATOM 243 N PHE A 17 8.469 13.619 -8.960 1.00 11.03 N ATOM 244 CA PHE A 17 7.966 14.978 -9.123 1.00 30.24 C ATOM 245 C PHE A 17 8.625 15.926 -8.124 1.00 72.41 C ATOM 246 O PHE A 17 8.722 17.129 -8.365 1.00 52.55 O ATOM 247 CB PHE A 17 6.447 15.008 -8.946 1.00 54.23 C ATOM 248 CG PHE A 17 5.698 14.372 -10.082 1.00 41.44 C ATOM 249 CD1 PHE A 17 6.044 14.643 -11.395 1.00 12.01 C ATOM 250 CD2 PHE A 17 4.647 13.502 -9.836 1.00 1.32 C ATOM 251 CE1 PHE A 17 5.357 14.059 -12.443 1.00 51.31 C ATOM 252 CE2 PHE A 17 3.958 12.914 -10.879 1.00 21.21 C ATOM 253 CZ PHE A 17 4.312 13.195 -12.185 1.00 52.42 C ATOM 0 H PHE A 17 7.746 12.919 -8.795 1.00 11.03 H new ATOM 0 HA PHE A 17 8.213 15.311 -10.131 1.00 30.24 H new ATOM 0 HB2 PHE A 17 6.187 14.497 -8.019 1.00 54.23 H new ATOM 0 HB3 PHE A 17 6.122 16.043 -8.841 1.00 54.23 H new ATOM 0 HD1 PHE A 17 6.860 15.319 -11.603 1.00 12.01 H new ATOM 0 HD2 PHE A 17 4.364 13.281 -8.817 1.00 1.32 H new ATOM 0 HE1 PHE A 17 5.638 14.279 -13.462 1.00 51.31 H new ATOM 0 HE2 PHE A 17 3.143 12.235 -10.674 1.00 21.21 H new ATOM 0 HZ PHE A 17 3.772 12.740 -13.002 1.00 52.42 H new ATOM 263 N GLY A 18 9.075 15.374 -7.002 1.00 72.34 N ATOM 264 CA GLY A 18 9.717 16.182 -5.983 1.00 4.42 C ATOM 265 C GLY A 18 8.748 16.643 -4.912 1.00 20.05 C ATOM 266 O GLY A 18 8.055 17.647 -5.082 1.00 63.23 O ATOM 0 H GLY A 18 9.006 14.381 -6.781 1.00 72.34 H new ATOM 0 HA2 GLY A 18 10.519 15.607 -5.520 1.00 4.42 H new ATOM 0 HA3 GLY A 18 10.178 17.052 -6.451 1.00 4.42 H new ATOM 270 N LEU A 19 8.698 15.909 -3.807 1.00 52.15 N ATOM 271 CA LEU A 19 7.805 16.246 -2.703 1.00 31.31 C ATOM 272 C LEU A 19 8.367 15.748 -1.376 1.00 5.25 C ATOM 273 O LEU A 19 8.871 16.532 -0.572 1.00 12.30 O ATOM 274 CB LEU A 19 6.419 15.644 -2.941 1.00 41.11 C ATOM 275 CG LEU A 19 5.501 16.423 -3.883 1.00 42.13 C ATOM 276 CD1 LEU A 19 5.265 15.642 -5.166 1.00 61.43 C ATOM 277 CD2 LEU A 19 4.179 16.739 -3.197 1.00 21.15 C ATOM 0 H LEU A 19 9.265 15.076 -3.651 1.00 52.15 H new ATOM 0 HA LEU A 19 7.720 17.332 -2.655 1.00 31.31 H new ATOM 0 HB2 LEU A 19 6.546 14.638 -3.340 1.00 41.11 H new ATOM 0 HB3 LEU A 19 5.918 15.544 -1.978 1.00 41.11 H new ATOM 0 HG LEU A 19 5.989 17.363 -4.140 1.00 42.13 H new ATOM 0 HD11 LEU A 19 4.609 16.212 -5.824 1.00 61.43 H new ATOM 0 HD12 LEU A 19 6.218 15.467 -5.666 1.00 61.43 H new ATOM 0 HD13 LEU A 19 4.799 14.686 -4.929 1.00 61.43 H new ATOM 0 HD21 LEU A 19 3.537 17.294 -3.882 1.00 21.15 H new ATOM 0 HD22 LEU A 19 3.686 15.810 -2.911 1.00 21.15 H new ATOM 0 HD23 LEU A 19 4.365 17.340 -2.307 1.00 21.15 H new ATOM 289 N ASN A 20 8.279 14.441 -1.153 1.00 31.15 N ATOM 290 CA ASN A 20 8.780 13.839 0.076 1.00 54.21 C ATOM 291 C ASN A 20 8.562 12.329 0.071 1.00 2.52 C ATOM 292 O ASN A 20 9.502 11.557 -0.116 1.00 33.01 O ATOM 293 CB ASN A 20 8.091 14.461 1.291 1.00 63.52 C ATOM 294 CG ASN A 20 8.354 13.683 2.567 1.00 42.01 C ATOM 295 OD1 ASN A 20 7.437 13.411 3.342 1.00 21.02 O ATOM 296 ND2 ASN A 20 9.612 13.323 2.790 1.00 43.42 N ATOM 0 H ASN A 20 7.865 13.778 -1.808 1.00 31.15 H new ATOM 0 HA ASN A 20 9.851 14.033 0.135 1.00 54.21 H new ATOM 0 HB2 ASN A 20 8.438 15.487 1.416 1.00 63.52 H new ATOM 0 HB3 ASN A 20 7.017 14.507 1.112 1.00 63.52 H new ATOM 0 HD21 ASN A 20 9.851 12.799 3.632 1.00 43.42 H new ATOM 0 HD22 ASN A 20 10.340 13.570 2.120 1.00 43.42 H new ATOM 303 N GLU A 21 7.316 11.916 0.277 1.00 55.22 N ATOM 304 CA GLU A 21 6.974 10.498 0.296 1.00 3.45 C ATOM 305 C GLU A 21 5.476 10.302 0.502 1.00 51.12 C ATOM 306 O GLU A 21 4.808 9.657 -0.304 1.00 63.30 O ATOM 307 CB GLU A 21 7.751 9.779 1.401 1.00 54.51 C ATOM 308 CG GLU A 21 7.295 8.349 1.633 1.00 40.23 C ATOM 309 CD GLU A 21 8.423 7.442 2.087 1.00 22.31 C ATOM 310 OE1 GLU A 21 9.312 7.144 1.262 1.00 73.01 O ATOM 311 OE2 GLU A 21 8.418 7.032 3.267 1.00 60.52 O1- ATOM 0 H GLU A 21 6.526 12.543 0.433 1.00 55.22 H new ATOM 0 HA GLU A 21 7.249 10.071 -0.669 1.00 3.45 H new ATOM 0 HB2 GLU A 21 8.811 9.777 1.146 1.00 54.51 H new ATOM 0 HB3 GLU A 21 7.648 10.340 2.330 1.00 54.51 H new ATOM 0 HG2 GLU A 21 6.504 8.341 2.383 1.00 40.23 H new ATOM 0 HG3 GLU A 21 6.865 7.955 0.712 1.00 40.23 H new ATOM 318 N GLU A 22 4.956 10.863 1.590 1.00 21.44 N ATOM 319 CA GLU A 22 3.536 10.749 1.903 1.00 31.23 C ATOM 320 C GLU A 22 2.683 11.359 0.794 1.00 63.00 C ATOM 321 O GLU A 22 1.632 10.825 0.440 1.00 54.41 O ATOM 322 CB GLU A 22 3.228 11.435 3.235 1.00 64.40 C ATOM 323 CG GLU A 22 2.047 10.830 3.974 1.00 73.43 C ATOM 324 CD GLU A 22 2.395 9.524 4.660 1.00 51.31 C ATOM 325 OE1 GLU A 22 2.358 8.472 3.988 1.00 0.41 O ATOM 326 OE2 GLU A 22 2.706 9.553 5.870 1.00 34.22 O1- ATOM 0 H GLU A 22 5.496 11.400 2.268 1.00 21.44 H new ATOM 0 HA GLU A 22 3.292 9.690 1.983 1.00 31.23 H new ATOM 0 HB2 GLU A 22 4.110 11.383 3.873 1.00 64.40 H new ATOM 0 HB3 GLU A 22 3.029 12.491 3.052 1.00 64.40 H new ATOM 0 HG2 GLU A 22 1.685 11.541 4.717 1.00 73.43 H new ATOM 0 HG3 GLU A 22 1.231 10.661 3.271 1.00 73.43 H new ATOM 333 N ASP A 23 3.143 12.481 0.253 1.00 0.03 N ATOM 334 CA ASP A 23 2.423 13.165 -0.816 1.00 0.34 C ATOM 335 C ASP A 23 2.264 12.257 -2.031 1.00 11.15 C ATOM 336 O ASP A 23 1.265 12.330 -2.749 1.00 2.41 O ATOM 337 CB ASP A 23 3.157 14.446 -1.214 1.00 22.35 C ATOM 338 CG ASP A 23 3.433 15.349 -0.027 1.00 74.41 C ATOM 339 OD1 ASP A 23 2.556 16.172 0.310 1.00 34.52 O ATOM 340 OD2 ASP A 23 4.526 15.231 0.565 1.00 41.24 O1- ATOM 0 H ASP A 23 4.011 12.937 0.536 1.00 0.03 H new ATOM 0 HA ASP A 23 1.431 13.423 -0.446 1.00 0.34 H new ATOM 0 HB2 ASP A 23 4.100 14.186 -1.696 1.00 22.35 H new ATOM 0 HB3 ASP A 23 2.562 14.989 -1.949 1.00 22.35 H new ATOM 345 N THR A 24 3.255 11.401 -2.259 1.00 11.53 N ATOM 346 CA THR A 24 3.227 10.480 -3.388 1.00 22.24 C ATOM 347 C THR A 24 2.160 9.409 -3.197 1.00 63.21 C ATOM 348 O THR A 24 1.406 9.099 -4.118 1.00 23.44 O ATOM 349 CB THR A 24 4.593 9.799 -3.592 1.00 51.22 C ATOM 350 OG1 THR A 24 5.598 10.784 -3.857 1.00 34.50 O ATOM 351 CG2 THR A 24 4.535 8.803 -4.741 1.00 72.44 C ATOM 0 H THR A 24 4.088 11.327 -1.675 1.00 11.53 H new ATOM 0 HA THR A 24 2.990 11.071 -4.272 1.00 22.24 H new ATOM 0 HB THR A 24 4.846 9.261 -2.678 1.00 51.22 H new ATOM 0 HG1 THR A 24 5.289 11.383 -4.569 1.00 34.50 H new ATOM 0 HG21 THR A 24 5.511 8.335 -4.866 1.00 72.44 H new ATOM 0 HG22 THR A 24 3.791 8.037 -4.522 1.00 72.44 H new ATOM 0 HG23 THR A 24 4.261 9.322 -5.659 1.00 72.44 H new ATOM 359 N ASN A 25 2.102 8.846 -1.994 1.00 4.25 N ATOM 360 CA ASN A 25 1.126 7.809 -1.683 1.00 51.42 C ATOM 361 C ASN A 25 -0.295 8.354 -1.772 1.00 63.42 C ATOM 362 O ASN A 25 -1.212 7.662 -2.218 1.00 41.14 O ATOM 363 CB ASN A 25 1.380 7.243 -0.283 1.00 10.45 C ATOM 364 CG ASN A 25 0.380 6.169 0.098 1.00 20.31 C ATOM 365 OD1 ASN A 25 -0.153 6.167 1.207 1.00 2.40 O ATOM 366 ND2 ASN A 25 0.120 5.249 -0.825 1.00 4.42 N ATOM 0 H ASN A 25 2.719 9.091 -1.220 1.00 4.25 H new ATOM 0 HA ASN A 25 1.236 7.010 -2.417 1.00 51.42 H new ATOM 0 HB2 ASN A 25 2.387 6.829 -0.239 1.00 10.45 H new ATOM 0 HB3 ASN A 25 1.335 8.052 0.446 1.00 10.45 H new ATOM 0 HD21 ASN A 25 -0.545 4.502 -0.627 1.00 4.42 H new ATOM 0 HD22 ASN A 25 0.586 5.290 -1.731 1.00 4.42 H new ATOM 373 N LEU A 26 -0.474 9.599 -1.345 1.00 12.24 N ATOM 374 CA LEU A 26 -1.784 10.239 -1.378 1.00 4.53 C ATOM 375 C LEU A 26 -2.304 10.344 -2.808 1.00 42.41 C ATOM 376 O LEU A 26 -3.497 10.169 -3.060 1.00 73.44 O ATOM 377 CB LEU A 26 -1.709 11.632 -0.747 1.00 73.00 C ATOM 378 CG LEU A 26 -2.974 12.117 -0.040 1.00 44.14 C ATOM 379 CD1 LEU A 26 -3.210 11.322 1.235 1.00 61.05 C ATOM 380 CD2 LEU A 26 -2.876 13.604 0.268 1.00 11.50 C ATOM 0 H LEU A 26 0.272 10.186 -0.972 1.00 12.24 H new ATOM 0 HA LEU A 26 -2.476 9.623 -0.804 1.00 4.53 H new ATOM 0 HB2 LEU A 26 -0.890 11.640 -0.028 1.00 73.00 H new ATOM 0 HB3 LEU A 26 -1.455 12.349 -1.527 1.00 73.00 H new ATOM 0 HG LEU A 26 -3.823 11.959 -0.706 1.00 44.14 H new ATOM 0 HD11 LEU A 26 -4.115 11.681 1.725 1.00 61.05 H new ATOM 0 HD12 LEU A 26 -3.325 10.266 0.989 1.00 61.05 H new ATOM 0 HD13 LEU A 26 -2.360 11.448 1.905 1.00 61.05 H new ATOM 0 HD21 LEU A 26 -3.785 13.932 0.771 1.00 11.50 H new ATOM 0 HD22 LEU A 26 -2.018 13.786 0.915 1.00 11.50 H new ATOM 0 HD23 LEU A 26 -2.755 14.161 -0.661 1.00 11.50 H new ATOM 392 N LEU A 27 -1.402 10.628 -3.741 1.00 52.24 N ATOM 393 CA LEU A 27 -1.770 10.752 -5.147 1.00 2.52 C ATOM 394 C LEU A 27 -2.121 9.392 -5.740 1.00 33.30 C ATOM 395 O LEU A 27 -3.155 9.237 -6.391 1.00 63.31 O ATOM 396 CB LEU A 27 -0.624 11.386 -5.939 1.00 0.41 C ATOM 397 CG LEU A 27 -0.700 11.243 -7.460 1.00 61.35 C ATOM 398 CD1 LEU A 27 -0.157 12.490 -8.140 1.00 13.40 C ATOM 399 CD2 LEU A 27 0.062 10.008 -7.917 1.00 21.52 C ATOM 0 H LEU A 27 -0.411 10.777 -3.549 1.00 52.24 H new ATOM 0 HA LEU A 27 -2.649 11.394 -5.213 1.00 2.52 H new ATOM 0 HB2 LEU A 27 -0.584 12.448 -5.695 1.00 0.41 H new ATOM 0 HB3 LEU A 27 0.313 10.946 -5.599 1.00 0.41 H new ATOM 0 HG LEU A 27 -1.746 11.126 -7.744 1.00 61.35 H new ATOM 0 HD11 LEU A 27 -0.219 12.371 -9.222 1.00 13.40 H new ATOM 0 HD12 LEU A 27 -0.746 13.356 -7.836 1.00 13.40 H new ATOM 0 HD13 LEU A 27 0.883 12.639 -7.850 1.00 13.40 H new ATOM 0 HD21 LEU A 27 -0.002 9.921 -9.002 1.00 21.52 H new ATOM 0 HD22 LEU A 27 1.107 10.095 -7.621 1.00 21.52 H new ATOM 0 HD23 LEU A 27 -0.372 9.121 -7.456 1.00 21.52 H new ATOM 411 N ILE A 28 -1.257 8.410 -5.510 1.00 61.33 N ATOM 412 CA ILE A 28 -1.480 7.063 -6.019 1.00 13.41 C ATOM 413 C ILE A 28 -2.702 6.424 -5.369 1.00 72.30 C ATOM 414 O ILE A 28 -3.375 5.591 -5.974 1.00 40.43 O ATOM 415 CB ILE A 28 -0.254 6.160 -5.779 1.00 63.33 C ATOM 416 CG1 ILE A 28 -0.058 5.205 -6.957 1.00 60.12 C ATOM 417 CG2 ILE A 28 -0.415 5.384 -4.481 1.00 1.50 C ATOM 418 CD1 ILE A 28 1.060 4.208 -6.747 1.00 73.43 C ATOM 0 H ILE A 28 -0.396 8.522 -4.975 1.00 61.33 H new ATOM 0 HA ILE A 28 -1.649 7.156 -7.092 1.00 13.41 H new ATOM 0 HB ILE A 28 0.632 6.789 -5.696 1.00 63.33 H new ATOM 0 HG12 ILE A 28 -0.988 4.664 -7.134 1.00 60.12 H new ATOM 0 HG13 ILE A 28 0.149 5.787 -7.855 1.00 60.12 H new ATOM 0 HG21 ILE A 28 0.458 4.751 -4.325 1.00 1.50 H new ATOM 0 HG22 ILE A 28 -0.510 6.082 -3.649 1.00 1.50 H new ATOM 0 HG23 ILE A 28 -1.309 4.762 -4.537 1.00 1.50 H new ATOM 0 HD11 ILE A 28 1.142 3.563 -7.622 1.00 73.43 H new ATOM 0 HD12 ILE A 28 2.000 4.741 -6.600 1.00 73.43 H new ATOM 0 HD13 ILE A 28 0.846 3.601 -5.868 1.00 73.43 H new ATOM 430 N ASN A 29 -2.984 6.822 -4.133 1.00 23.43 N ATOM 431 CA ASN A 29 -4.128 6.290 -3.400 1.00 12.50 C ATOM 432 C ASN A 29 -5.432 6.598 -4.129 1.00 54.02 C ATOM 433 O ASN A 29 -6.354 5.784 -4.142 1.00 61.14 O ATOM 434 CB ASN A 29 -4.170 6.873 -1.986 1.00 73.23 C ATOM 435 CG ASN A 29 -5.307 6.304 -1.160 1.00 73.14 C ATOM 436 OD1 ASN A 29 -6.471 6.647 -1.366 1.00 33.52 O ATOM 437 ND2 ASN A 29 -4.973 5.429 -0.219 1.00 75.34 N ATOM 0 H ASN A 29 -2.436 7.511 -3.618 1.00 23.43 H new ATOM 0 HA ASN A 29 -4.016 5.208 -3.336 1.00 12.50 H new ATOM 0 HB2 ASN A 29 -3.224 6.671 -1.484 1.00 73.23 H new ATOM 0 HB3 ASN A 29 -4.274 7.956 -2.045 1.00 73.23 H new ATOM 0 HD21 ASN A 29 -5.695 5.012 0.369 1.00 75.34 H new ATOM 0 HD22 ASN A 29 -3.995 5.174 -0.084 1.00 75.34 H new ATOM 444 N ALA A 30 -5.501 7.778 -4.735 1.00 5.42 N ATOM 445 CA ALA A 30 -6.691 8.193 -5.468 1.00 5.55 C ATOM 446 C ALA A 30 -6.844 7.398 -6.759 1.00 35.15 C ATOM 447 O ALA A 30 -7.958 7.069 -7.168 1.00 11.21 O ATOM 448 CB ALA A 30 -6.632 9.684 -5.767 1.00 33.22 C ATOM 0 H ALA A 30 -4.746 8.464 -4.733 1.00 5.42 H new ATOM 0 HA ALA A 30 -7.562 7.993 -4.844 1.00 5.55 H new ATOM 0 HB1 ALA A 30 -7.526 9.981 -6.315 1.00 33.22 H new ATOM 0 HB2 ALA A 30 -6.578 10.241 -4.832 1.00 33.22 H new ATOM 0 HB3 ALA A 30 -5.749 9.900 -6.369 1.00 33.22 H new ATOM 454 N VAL A 31 -5.720 7.093 -7.399 1.00 55.23 N ATOM 455 CA VAL A 31 -5.730 6.335 -8.644 1.00 33.12 C ATOM 456 C VAL A 31 -6.188 4.900 -8.412 1.00 42.53 C ATOM 457 O VAL A 31 -7.094 4.409 -9.085 1.00 1.32 O ATOM 458 CB VAL A 31 -4.337 6.318 -9.302 1.00 71.12 C ATOM 459 CG1 VAL A 31 -4.432 5.834 -10.741 1.00 0.13 C ATOM 460 CG2 VAL A 31 -3.700 7.698 -9.237 1.00 63.24 C ATOM 0 H VAL A 31 -4.790 7.360 -7.075 1.00 55.23 H new ATOM 0 HA VAL A 31 -6.433 6.833 -9.311 1.00 33.12 H new ATOM 0 HB VAL A 31 -3.703 5.624 -8.751 1.00 71.12 H new ATOM 0 HG11 VAL A 31 -3.439 5.829 -11.189 1.00 0.13 H new ATOM 0 HG12 VAL A 31 -4.844 4.825 -10.759 1.00 0.13 H new ATOM 0 HG13 VAL A 31 -5.082 6.501 -11.307 1.00 0.13 H new ATOM 0 HG21 VAL A 31 -2.717 7.667 -9.706 1.00 63.24 H new ATOM 0 HG22 VAL A 31 -4.331 8.415 -9.763 1.00 63.24 H new ATOM 0 HG23 VAL A 31 -3.596 8.002 -8.195 1.00 63.24 H new ATOM 470 N ASP A 32 -5.556 4.233 -7.452 1.00 54.24 N ATOM 471 CA ASP A 32 -5.899 2.852 -7.128 1.00 23.32 C ATOM 472 C ASP A 32 -7.335 2.754 -6.622 1.00 12.04 C ATOM 473 O ASP A 32 -8.053 1.805 -6.941 1.00 24.21 O ATOM 474 CB ASP A 32 -4.936 2.298 -6.076 1.00 32.13 C ATOM 475 CG ASP A 32 -3.492 2.655 -6.369 1.00 3.11 C ATOM 476 OD1 ASP A 32 -3.165 2.886 -7.552 1.00 21.24 O ATOM 477 OD2 ASP A 32 -2.689 2.705 -5.414 1.00 21.31 O1- ATOM 0 H ASP A 32 -4.804 4.625 -6.885 1.00 54.24 H new ATOM 0 HA ASP A 32 -5.811 2.258 -8.038 1.00 23.32 H new ATOM 0 HB2 ASP A 32 -5.211 2.686 -5.095 1.00 32.13 H new ATOM 0 HB3 ASP A 32 -5.037 1.214 -6.030 1.00 32.13 H new ATOM 482 N LEU A 33 -7.748 3.739 -5.833 1.00 43.42 N ATOM 483 CA LEU A 33 -9.098 3.764 -5.282 1.00 54.23 C ATOM 484 C LEU A 33 -10.137 3.879 -6.392 1.00 11.23 C ATOM 485 O LEU A 33 -11.200 3.261 -6.329 1.00 34.42 O ATOM 486 CB LEU A 33 -9.250 4.928 -4.303 1.00 42.02 C ATOM 487 CG LEU A 33 -10.567 4.989 -3.529 1.00 72.32 C ATOM 488 CD1 LEU A 33 -10.638 3.866 -2.506 1.00 11.10 C ATOM 489 CD2 LEU A 33 -10.727 6.341 -2.851 1.00 63.43 C ATOM 0 H LEU A 33 -7.167 4.532 -5.560 1.00 43.42 H new ATOM 0 HA LEU A 33 -9.264 2.827 -4.750 1.00 54.23 H new ATOM 0 HB2 LEU A 33 -8.432 4.881 -3.584 1.00 42.02 H new ATOM 0 HB3 LEU A 33 -9.134 5.860 -4.857 1.00 42.02 H new ATOM 0 HG LEU A 33 -11.387 4.861 -4.236 1.00 72.32 H new ATOM 0 HD11 LEU A 33 -11.582 3.926 -1.965 1.00 11.10 H new ATOM 0 HD12 LEU A 33 -10.572 2.905 -3.016 1.00 11.10 H new ATOM 0 HD13 LEU A 33 -9.810 3.961 -1.803 1.00 11.10 H new ATOM 0 HD21 LEU A 33 -11.670 6.365 -2.305 1.00 63.43 H new ATOM 0 HD22 LEU A 33 -9.902 6.500 -2.157 1.00 63.43 H new ATOM 0 HD23 LEU A 33 -10.724 7.129 -3.605 1.00 63.43 H new ATOM 501 N ASP A 34 -9.822 4.674 -7.409 1.00 34.02 N ATOM 502 CA ASP A 34 -10.727 4.868 -8.537 1.00 43.10 C ATOM 503 C ASP A 34 -10.827 3.600 -9.378 1.00 52.11 C ATOM 504 O ASP A 34 -11.922 3.165 -9.735 1.00 24.31 O ATOM 505 CB ASP A 34 -10.252 6.035 -9.404 1.00 12.25 C ATOM 506 CG ASP A 34 -11.344 7.058 -9.648 1.00 3.54 C ATOM 507 OD1 ASP A 34 -12.431 6.664 -10.118 1.00 13.35 O1- ATOM 508 OD2 ASP A 34 -11.110 8.253 -9.368 1.00 63.53 O ATOM 0 H ASP A 34 -8.947 5.194 -7.476 1.00 34.02 H new ATOM 0 HA ASP A 34 -11.716 5.098 -8.142 1.00 43.10 H new ATOM 0 HB2 ASP A 34 -9.404 6.521 -8.921 1.00 12.25 H new ATOM 0 HB3 ASP A 34 -9.897 5.652 -10.361 1.00 12.25 H new ATOM 513 N ILE A 35 -9.677 3.013 -9.693 1.00 73.21 N ATOM 514 CA ILE A 35 -9.636 1.794 -10.493 1.00 64.01 C ATOM 515 C ILE A 35 -10.251 0.620 -9.738 1.00 11.12 C ATOM 516 O ILE A 35 -10.979 -0.189 -10.313 1.00 42.40 O ATOM 517 CB ILE A 35 -8.195 1.434 -10.896 1.00 45.31 C ATOM 518 CG1 ILE A 35 -7.632 2.482 -11.857 1.00 25.31 C ATOM 519 CG2 ILE A 35 -8.151 0.050 -11.528 1.00 5.00 C ATOM 520 CD1 ILE A 35 -6.263 2.992 -11.463 1.00 75.40 C ATOM 0 H ILE A 35 -8.762 3.361 -9.407 1.00 73.21 H new ATOM 0 HA ILE A 35 -10.218 1.988 -11.394 1.00 64.01 H new ATOM 0 HB ILE A 35 -7.576 1.423 -9.999 1.00 45.31 H new ATOM 0 HG12 ILE A 35 -7.577 2.053 -12.857 1.00 25.31 H new ATOM 0 HG13 ILE A 35 -8.323 3.323 -11.909 1.00 25.31 H new ATOM 0 HG21 ILE A 35 -7.125 -0.190 -11.808 1.00 5.00 H new ATOM 0 HG22 ILE A 35 -8.514 -0.688 -10.813 1.00 5.00 H new ATOM 0 HG23 ILE A 35 -8.782 0.036 -12.417 1.00 5.00 H new ATOM 0 HD11 ILE A 35 -5.927 3.732 -12.190 1.00 75.40 H new ATOM 0 HD12 ILE A 35 -6.316 3.451 -10.476 1.00 75.40 H new ATOM 0 HD13 ILE A 35 -5.558 2.161 -11.439 1.00 75.40 H new ATOM 532 N LYS A 36 -9.954 0.535 -8.445 1.00 34.24 N ATOM 533 CA LYS A 36 -10.478 -0.538 -7.609 1.00 32.42 C ATOM 534 C LYS A 36 -12.003 -0.570 -7.658 1.00 55.43 C ATOM 535 O LYS A 36 -12.610 -1.640 -7.681 1.00 73.11 O ATOM 536 CB LYS A 36 -10.007 -0.363 -6.163 1.00 33.31 C ATOM 537 CG LYS A 36 -8.658 -1.002 -5.882 1.00 64.00 C ATOM 538 CD LYS A 36 -8.726 -1.948 -4.696 1.00 72.13 C ATOM 539 CE LYS A 36 -8.631 -1.196 -3.377 1.00 41.34 C ATOM 540 NZ LYS A 36 -8.969 -2.067 -2.217 1.00 53.10 N1+ ATOM 0 H LYS A 36 -9.353 1.197 -7.954 1.00 34.24 H new ATOM 0 HA LYS A 36 -10.099 -1.484 -7.996 1.00 32.42 H new ATOM 0 HB2 LYS A 36 -9.950 0.701 -5.934 1.00 33.31 H new ATOM 0 HB3 LYS A 36 -10.751 -0.794 -5.493 1.00 33.31 H new ATOM 0 HG2 LYS A 36 -8.321 -1.547 -6.764 1.00 64.00 H new ATOM 0 HG3 LYS A 36 -7.920 -0.224 -5.687 1.00 64.00 H new ATOM 0 HD2 LYS A 36 -9.660 -2.509 -4.730 1.00 72.13 H new ATOM 0 HD3 LYS A 36 -7.916 -2.674 -4.761 1.00 72.13 H new ATOM 0 HE2 LYS A 36 -7.622 -0.803 -3.255 1.00 41.34 H new ATOM 0 HE3 LYS A 36 -9.306 -0.340 -3.397 1.00 41.34 H new ATOM 0 HZ1 LYS A 36 -8.893 -1.518 -1.337 1.00 53.10 H new ATOM 0 HZ2 LYS A 36 -9.941 -2.422 -2.321 1.00 53.10 H new ATOM 0 HZ3 LYS A 36 -8.309 -2.870 -2.182 1.00 53.10 H new ATOM 554 N ASN A 37 -12.614 0.610 -7.673 1.00 52.00 N ATOM 555 CA ASN A 37 -14.068 0.716 -7.721 1.00 64.24 C ATOM 556 C ASN A 37 -14.615 0.137 -9.022 1.00 41.33 C ATOM 557 O ASN A 37 -15.739 -0.358 -9.068 1.00 74.11 O ATOM 558 CB ASN A 37 -14.498 2.178 -7.580 1.00 51.34 C ATOM 559 CG ASN A 37 -15.843 2.321 -6.894 1.00 30.35 C ATOM 560 OD1 ASN A 37 -16.190 1.535 -6.012 1.00 1.20 O ATOM 561 ND2 ASN A 37 -16.608 3.329 -7.298 1.00 3.21 N ATOM 0 H ASN A 37 -12.126 1.505 -7.653 1.00 52.00 H new ATOM 0 HA ASN A 37 -14.476 0.141 -6.890 1.00 64.24 H new ATOM 0 HB2 ASN A 37 -13.744 2.723 -7.012 1.00 51.34 H new ATOM 0 HB3 ASN A 37 -14.546 2.637 -8.568 1.00 51.34 H new ATOM 0 HD21 ASN A 37 -17.524 3.476 -6.874 1.00 3.21 H new ATOM 0 HD22 ASN A 37 -16.280 3.956 -8.033 1.00 3.21 H new ATOM 568 N ASN A 38 -13.809 0.202 -10.076 1.00 51.20 N ATOM 569 CA ASN A 38 -14.211 -0.315 -11.379 1.00 51.15 C ATOM 570 C ASN A 38 -14.005 -1.826 -11.451 1.00 25.32 C ATOM 571 O ASN A 38 -14.590 -2.503 -12.297 1.00 5.53 O ATOM 572 CB ASN A 38 -13.417 0.372 -12.492 1.00 12.02 C ATOM 573 CG ASN A 38 -14.315 1.056 -13.504 1.00 3.05 C ATOM 574 OD1 ASN A 38 -14.898 0.408 -14.373 1.00 43.31 O ATOM 575 ND2 ASN A 38 -14.431 2.375 -13.395 1.00 12.52 N ATOM 0 H ASN A 38 -12.873 0.608 -10.054 1.00 51.20 H new ATOM 0 HA ASN A 38 -15.271 -0.103 -11.515 1.00 51.15 H new ATOM 0 HB2 ASN A 38 -12.743 1.107 -12.053 1.00 12.02 H new ATOM 0 HB3 ASN A 38 -12.797 -0.366 -13.001 1.00 12.02 H new ATOM 0 HD21 ASN A 38 -15.022 2.891 -14.047 1.00 12.52 H new ATOM 0 HD22 ASN A 38 -13.929 2.872 -12.659 1.00 12.52 H new ATOM 582 N MET A 39 -13.171 -2.347 -10.557 1.00 51.13 N ATOM 583 CA MET A 39 -12.889 -3.777 -10.518 1.00 75.53 C ATOM 584 C MET A 39 -14.182 -4.584 -10.439 1.00 12.14 C ATOM 585 O MET A 39 -14.242 -5.722 -10.902 1.00 71.23 O ATOM 586 CB MET A 39 -11.993 -4.110 -9.324 1.00 44.15 C ATOM 587 CG MET A 39 -10.901 -5.117 -9.646 1.00 61.25 C ATOM 588 SD MET A 39 -9.319 -4.332 -10.009 1.00 54.03 S ATOM 589 CE MET A 39 -9.613 -3.730 -11.670 1.00 4.23 C ATOM 0 H MET A 39 -12.679 -1.800 -9.850 1.00 51.13 H new ATOM 0 HA MET A 39 -12.370 -4.045 -11.438 1.00 75.53 H new ATOM 0 HB2 MET A 39 -11.533 -3.192 -8.958 1.00 44.15 H new ATOM 0 HB3 MET A 39 -12.610 -4.502 -8.515 1.00 44.15 H new ATOM 0 HG2 MET A 39 -10.780 -5.798 -8.803 1.00 61.25 H new ATOM 0 HG3 MET A 39 -11.208 -5.719 -10.501 1.00 61.25 H new ATOM 0 HE1 MET A 39 -8.679 -3.362 -12.094 1.00 4.23 H new ATOM 0 HE2 MET A 39 -9.998 -4.541 -12.288 1.00 4.23 H new ATOM 0 HE3 MET A 39 -10.342 -2.920 -11.640 1.00 4.23 H new ATOM 1232 N LEU B 179 -10.885 7.765 -14.808 1.00 23.11 N ATOM 1233 CA LEU B 179 -9.844 8.342 -13.965 1.00 65.25 C ATOM 1234 C LEU B 179 -9.716 9.843 -14.207 1.00 52.22 C ATOM 1235 O LEU B 179 -8.625 10.405 -14.123 1.00 64.33 O ATOM 1236 CB LEU B 179 -8.503 7.656 -14.232 1.00 72.53 C ATOM 1237 CG LEU B 179 -8.292 6.306 -13.545 1.00 61.11 C ATOM 1238 CD1 LEU B 179 -7.081 5.594 -14.127 1.00 31.33 C ATOM 1239 CD2 LEU B 179 -8.133 6.491 -12.043 1.00 51.13 C ATOM 0 HA LEU B 179 -10.126 8.182 -12.924 1.00 65.25 H new ATOM 0 HB2 LEU B 179 -8.398 7.514 -15.308 1.00 72.53 H new ATOM 0 HB3 LEU B 179 -7.705 8.329 -13.920 1.00 72.53 H new ATOM 0 HG LEU B 179 -9.172 5.688 -13.724 1.00 61.11 H new ATOM 0 HD11 LEU B 179 -6.947 4.635 -13.626 1.00 31.33 H new ATOM 0 HD12 LEU B 179 -7.234 5.428 -15.193 1.00 31.33 H new ATOM 0 HD13 LEU B 179 -6.192 6.208 -13.980 1.00 31.33 H new ATOM 0 HD21 LEU B 179 -7.984 5.520 -11.571 1.00 51.13 H new ATOM 0 HD22 LEU B 179 -7.271 7.128 -11.844 1.00 51.13 H new ATOM 0 HD23 LEU B 179 -9.030 6.958 -11.637 1.00 51.13 H new ATOM 1251 N ASN B 180 -10.840 10.486 -14.507 1.00 4.34 N ATOM 1252 CA ASN B 180 -10.854 11.923 -14.761 1.00 40.23 C ATOM 1253 C ASN B 180 -10.284 12.690 -13.572 1.00 11.13 C ATOM 1254 O ASN B 180 -9.399 13.530 -13.729 1.00 14.51 O ATOM 1255 CB ASN B 180 -12.280 12.396 -15.051 1.00 1.15 C ATOM 1256 CG ASN B 180 -12.698 12.126 -16.483 1.00 71.52 C ATOM 1257 OD1 ASN B 180 -11.924 11.592 -17.278 1.00 70.33 O ATOM 1258 ND2 ASN B 180 -13.928 12.496 -16.820 1.00 23.14 N ATOM 0 H ASN B 180 -11.752 10.036 -14.580 1.00 4.34 H new ATOM 0 HA ASN B 180 -10.229 12.120 -15.632 1.00 40.23 H new ATOM 0 HB2 ASN B 180 -12.971 11.895 -14.373 1.00 1.15 H new ATOM 0 HB3 ASN B 180 -12.354 13.465 -14.849 1.00 1.15 H new ATOM 0 HD21 ASN B 180 -14.265 12.341 -17.770 1.00 23.14 H new ATOM 0 HD22 ASN B 180 -14.536 12.935 -16.129 1.00 23.14 H new ATOM 1265 N ASN B 181 -10.798 12.395 -12.383 1.00 44.42 N ATOM 1266 CA ASN B 181 -10.339 13.057 -11.166 1.00 41.31 C ATOM 1267 C ASN B 181 -8.862 12.771 -10.916 1.00 44.43 C ATOM 1268 O ASN B 181 -8.115 13.645 -10.472 1.00 3.11 O ATOM 1269 CB ASN B 181 -11.170 12.597 -9.967 1.00 2.11 C ATOM 1270 CG ASN B 181 -12.643 12.924 -10.124 1.00 75.22 C ATOM 1271 OD1 ASN B 181 -13.041 14.088 -10.083 1.00 42.22 O ATOM 1272 ND2 ASN B 181 -13.460 11.893 -10.307 1.00 54.04 N ATOM 0 H ASN B 181 -11.532 11.702 -12.235 1.00 44.42 H new ATOM 0 HA ASN B 181 -10.465 14.132 -11.296 1.00 41.31 H new ATOM 0 HB2 ASN B 181 -11.051 11.521 -9.838 1.00 2.11 H new ATOM 0 HB3 ASN B 181 -10.790 13.071 -9.062 1.00 2.11 H new ATOM 0 HD21 ASN B 181 -14.461 12.050 -10.420 1.00 54.04 H new ATOM 0 HD22 ASN B 181 -13.086 10.944 -10.334 1.00 54.04 H new ATOM 1279 N THR B 182 -8.444 11.542 -11.202 1.00 35.50 N ATOM 1280 CA THR B 182 -7.058 11.141 -11.007 1.00 55.13 C ATOM 1281 C THR B 182 -6.113 12.001 -11.839 1.00 64.52 C ATOM 1282 O THR B 182 -5.052 12.411 -11.368 1.00 60.42 O ATOM 1283 CB THR B 182 -6.844 9.660 -11.377 1.00 32.42 C ATOM 1284 OG1 THR B 182 -7.529 8.818 -10.443 1.00 42.10 O ATOM 1285 CG2 THR B 182 -5.363 9.313 -11.389 1.00 24.42 C ATOM 0 H THR B 182 -9.047 10.807 -11.570 1.00 35.50 H new ATOM 0 HA THR B 182 -6.836 11.281 -9.949 1.00 55.13 H new ATOM 0 HB THR B 182 -7.247 9.496 -12.377 1.00 32.42 H new ATOM 0 HG1 THR B 182 -8.496 8.905 -10.573 1.00 42.10 H new ATOM 0 HG21 THR B 182 -5.237 8.263 -11.653 1.00 24.42 H new ATOM 0 HG22 THR B 182 -4.849 9.935 -12.122 1.00 24.42 H new ATOM 0 HG23 THR B 182 -4.939 9.492 -10.401 1.00 24.42 H new ATOM 1293 N LYS B 183 -6.506 12.274 -13.079 1.00 63.35 N ATOM 1294 CA LYS B 183 -5.697 13.089 -13.977 1.00 61.34 C ATOM 1295 C LYS B 183 -5.382 14.442 -13.348 1.00 64.31 C ATOM 1296 O LYS B 183 -4.293 14.985 -13.531 1.00 13.54 O ATOM 1297 CB LYS B 183 -6.422 13.290 -15.309 1.00 61.41 C ATOM 1298 CG LYS B 183 -5.562 13.942 -16.378 1.00 24.11 C ATOM 1299 CD LYS B 183 -6.359 14.224 -17.640 1.00 51.21 C ATOM 1300 CE LYS B 183 -6.256 15.684 -18.051 1.00 4.33 C ATOM 1301 NZ LYS B 183 -7.240 16.536 -17.327 1.00 54.32 N1+ ATOM 0 H LYS B 183 -7.381 11.942 -13.485 1.00 63.35 H new ATOM 0 HA LYS B 183 -4.759 12.565 -14.157 1.00 61.34 H new ATOM 0 HB2 LYS B 183 -6.769 12.323 -15.674 1.00 61.41 H new ATOM 0 HB3 LYS B 183 -7.307 13.904 -15.142 1.00 61.41 H new ATOM 0 HG2 LYS B 183 -5.146 14.873 -15.994 1.00 24.11 H new ATOM 0 HG3 LYS B 183 -4.720 13.291 -16.616 1.00 24.11 H new ATOM 0 HD2 LYS B 183 -5.996 13.591 -18.450 1.00 51.21 H new ATOM 0 HD3 LYS B 183 -7.405 13.964 -17.476 1.00 51.21 H new ATOM 0 HE2 LYS B 183 -5.247 16.046 -17.853 1.00 4.33 H new ATOM 0 HE3 LYS B 183 -6.421 15.771 -19.125 1.00 4.33 H new ATOM 0 HZ1 LYS B 183 -7.137 17.524 -17.636 1.00 54.32 H new ATOM 0 HZ2 LYS B 183 -8.204 16.207 -17.536 1.00 54.32 H new ATOM 0 HZ3 LYS B 183 -7.067 16.473 -16.303 1.00 54.32 H new ATOM 1315 N LYS B 184 -6.342 14.982 -12.604 1.00 52.50 N ATOM 1316 CA LYS B 184 -6.166 16.271 -11.945 1.00 15.22 C ATOM 1317 C LYS B 184 -5.118 16.178 -10.840 1.00 25.03 C ATOM 1318 O LYS B 184 -4.409 17.145 -10.560 1.00 61.31 O ATOM 1319 CB LYS B 184 -7.496 16.754 -11.362 1.00 11.23 C ATOM 1320 CG LYS B 184 -8.207 17.775 -12.234 1.00 12.30 C ATOM 1321 CD LYS B 184 -8.698 17.155 -13.531 1.00 52.10 C ATOM 1322 CE LYS B 184 -9.427 18.173 -14.395 1.00 13.41 C ATOM 1323 NZ LYS B 184 -10.815 18.414 -13.915 1.00 34.21 N1+ ATOM 0 H LYS B 184 -7.250 14.547 -12.442 1.00 52.50 H new ATOM 0 HA LYS B 184 -5.821 16.988 -12.690 1.00 15.22 H new ATOM 0 HB2 LYS B 184 -8.151 15.896 -11.214 1.00 11.23 H new ATOM 0 HB3 LYS B 184 -7.315 17.190 -10.380 1.00 11.23 H new ATOM 0 HG2 LYS B 184 -9.052 18.196 -11.688 1.00 12.30 H new ATOM 0 HG3 LYS B 184 -7.529 18.599 -12.457 1.00 12.30 H new ATOM 0 HD2 LYS B 184 -7.852 16.747 -14.084 1.00 52.10 H new ATOM 0 HD3 LYS B 184 -9.365 16.322 -13.308 1.00 52.10 H new ATOM 0 HE2 LYS B 184 -8.874 19.112 -14.394 1.00 13.41 H new ATOM 0 HE3 LYS B 184 -9.455 17.821 -15.426 1.00 13.41 H new ATOM 0 HZ1 LYS B 184 -11.278 19.113 -14.530 1.00 34.21 H new ATOM 0 HZ2 LYS B 184 -11.350 17.523 -13.940 1.00 34.21 H new ATOM 0 HZ3 LYS B 184 -10.787 18.775 -12.940 1.00 34.21 H new ATOM 1337 N VAL B 185 -5.024 15.009 -10.216 1.00 53.13 N ATOM 1338 CA VAL B 185 -4.061 14.790 -9.144 1.00 62.24 C ATOM 1339 C VAL B 185 -2.632 14.811 -9.675 1.00 64.42 C ATOM 1340 O VAL B 185 -1.757 15.462 -9.106 1.00 62.11 O ATOM 1341 CB VAL B 185 -4.311 13.448 -8.429 1.00 34.51 C ATOM 1342 CG1 VAL B 185 -3.426 13.324 -7.199 1.00 14.02 C ATOM 1343 CG2 VAL B 185 -5.779 13.309 -8.057 1.00 70.33 C ATOM 0 H VAL B 185 -5.603 14.198 -10.434 1.00 53.13 H new ATOM 0 HA VAL B 185 -4.193 15.604 -8.431 1.00 62.24 H new ATOM 0 HB VAL B 185 -4.055 12.639 -9.113 1.00 34.51 H new ATOM 0 HG11 VAL B 185 -3.617 12.370 -6.708 1.00 14.02 H new ATOM 0 HG12 VAL B 185 -2.379 13.375 -7.498 1.00 14.02 H new ATOM 0 HG13 VAL B 185 -3.647 14.138 -6.509 1.00 14.02 H new ATOM 0 HG21 VAL B 185 -5.938 12.356 -7.553 1.00 70.33 H new ATOM 0 HG22 VAL B 185 -6.064 14.123 -7.391 1.00 70.33 H new ATOM 0 HG23 VAL B 185 -6.388 13.348 -8.960 1.00 70.33 H new ATOM 1353 N ALA B 186 -2.403 14.095 -10.771 1.00 63.34 N ATOM 1354 CA ALA B 186 -1.081 14.034 -11.381 1.00 71.41 C ATOM 1355 C ALA B 186 -0.743 15.341 -12.089 1.00 1.13 C ATOM 1356 O ALA B 186 0.427 15.695 -12.233 1.00 52.10 O ATOM 1357 CB ALA B 186 -1.004 12.868 -12.356 1.00 34.11 C ATOM 0 H ALA B 186 -3.116 13.549 -11.254 1.00 63.34 H new ATOM 0 HA ALA B 186 -0.348 13.880 -10.589 1.00 71.41 H new ATOM 0 HB1 ALA B 186 -0.011 12.834 -12.805 1.00 34.11 H new ATOM 0 HB2 ALA B 186 -1.194 11.936 -11.824 1.00 34.11 H new ATOM 0 HB3 ALA B 186 -1.752 12.998 -13.139 1.00 34.11 H new ATOM 1363 N ASN B 187 -1.774 16.055 -12.530 1.00 70.33 N ATOM 1364 CA ASN B 187 -1.585 17.324 -13.224 1.00 53.34 C ATOM 1365 C ASN B 187 -1.697 18.496 -12.255 1.00 33.42 C ATOM 1366 O ASN B 187 -1.986 19.622 -12.658 1.00 32.24 O ATOM 1367 CB ASN B 187 -2.614 17.473 -14.346 1.00 41.35 C ATOM 1368 CG ASN B 187 -2.053 18.200 -15.552 1.00 10.22 C ATOM 1369 OD1 ASN B 187 -1.024 18.869 -15.464 1.00 3.15 O ATOM 1370 ND2 ASN B 187 -2.730 18.073 -16.688 1.00 61.12 N ATOM 0 H ASN B 187 -2.749 15.776 -12.419 1.00 70.33 H new ATOM 0 HA ASN B 187 -0.584 17.329 -13.656 1.00 53.34 H new ATOM 0 HB2 ASN B 187 -2.962 16.486 -14.650 1.00 41.35 H new ATOM 0 HB3 ASN B 187 -3.482 18.015 -13.970 1.00 41.35 H new ATOM 0 HD21 ASN B 187 -2.401 18.540 -17.533 1.00 61.12 H new ATOM 0 HD22 ASN B 187 -3.579 17.508 -16.715 1.00 61.12 H new ATOM 1377 N ALA B 188 -1.468 18.223 -10.974 1.00 34.41 N ATOM 1378 CA ALA B 188 -1.541 19.256 -9.949 1.00 51.23 C ATOM 1379 C ALA B 188 -0.147 19.700 -9.517 1.00 61.43 C ATOM 1380 O ALA B 188 0.062 20.861 -9.164 1.00 45.53 O ATOM 1381 CB ALA B 188 -2.332 18.753 -8.750 1.00 51.23 C ATOM 0 H ALA B 188 -1.231 17.295 -10.622 1.00 34.41 H new ATOM 0 HA ALA B 188 -2.054 20.119 -10.373 1.00 51.23 H new ATOM 0 HB1 ALA B 188 -2.379 19.534 -7.991 1.00 51.23 H new ATOM 0 HB2 ALA B 188 -3.342 18.491 -9.064 1.00 51.23 H new ATOM 0 HB3 ALA B 188 -1.842 17.873 -8.334 1.00 51.23 H new ATOM 1387 N PHE B 189 0.801 18.770 -9.547 1.00 31.14 N ATOM 1388 CA PHE B 189 2.174 19.066 -9.157 1.00 42.41 C ATOM 1389 C PHE B 189 2.790 20.111 -10.083 1.00 20.12 C ATOM 1390 O PHE B 189 3.704 20.838 -9.697 1.00 23.41 O ATOM 1391 CB PHE B 189 3.019 17.791 -9.176 1.00 60.31 C ATOM 1392 CG PHE B 189 2.688 16.836 -8.064 1.00 2.52 C ATOM 1393 CD1 PHE B 189 2.520 17.294 -6.767 1.00 24.25 C ATOM 1394 CD2 PHE B 189 2.546 15.481 -8.316 1.00 44.50 C ATOM 1395 CE1 PHE B 189 2.216 16.419 -5.742 1.00 14.34 C ATOM 1396 CE2 PHE B 189 2.242 14.600 -7.295 1.00 4.31 C ATOM 1397 CZ PHE B 189 2.077 15.070 -6.007 1.00 64.33 C ATOM 0 H PHE B 189 0.644 17.805 -9.837 1.00 31.14 H new ATOM 0 HA PHE B 189 2.158 19.468 -8.144 1.00 42.41 H new ATOM 0 HB2 PHE B 189 2.879 17.286 -10.132 1.00 60.31 H new ATOM 0 HB3 PHE B 189 4.073 18.062 -9.110 1.00 60.31 H new ATOM 0 HD1 PHE B 189 2.628 18.347 -6.555 1.00 24.25 H new ATOM 0 HD2 PHE B 189 2.674 15.109 -9.322 1.00 44.50 H new ATOM 0 HE1 PHE B 189 2.087 16.789 -4.735 1.00 14.34 H new ATOM 0 HE2 PHE B 189 2.134 13.546 -7.504 1.00 4.31 H new ATOM 0 HZ PHE B 189 1.840 14.384 -5.208 1.00 64.33 H new ATOM 1407 N GLY B 190 2.281 20.179 -11.310 1.00 72.51 N ATOM 1408 CA GLY B 190 2.792 21.136 -12.274 1.00 65.15 C ATOM 1409 C GLY B 190 3.795 20.519 -13.228 1.00 41.12 C ATOM 1410 O GLY B 190 4.963 20.338 -12.880 1.00 14.04 O ATOM 0 H GLY B 190 1.524 19.588 -11.653 1.00 72.51 H new ATOM 0 HA2 GLY B 190 1.961 21.552 -12.844 1.00 65.15 H new ATOM 0 HA3 GLY B 190 3.261 21.965 -11.744 1.00 65.15 H new ATOM 1414 N LEU B 191 3.340 20.194 -14.432 1.00 13.24 N ATOM 1415 CA LEU B 191 4.206 19.591 -15.440 1.00 73.25 C ATOM 1416 C LEU B 191 3.873 20.121 -16.831 1.00 55.24 C ATOM 1417 O LEU B 191 4.608 20.933 -17.389 1.00 32.35 O ATOM 1418 CB LEU B 191 4.068 18.067 -15.414 1.00 1.34 C ATOM 1419 CG LEU B 191 4.527 17.373 -14.132 1.00 24.25 C ATOM 1420 CD1 LEU B 191 3.498 16.348 -13.682 1.00 14.35 C ATOM 1421 CD2 LEU B 191 5.884 16.716 -14.337 1.00 21.02 C ATOM 0 H LEU B 191 2.377 20.337 -14.735 1.00 13.24 H new ATOM 0 HA LEU B 191 5.236 19.860 -15.207 1.00 73.25 H new ATOM 0 HB2 LEU B 191 3.022 17.814 -15.585 1.00 1.34 H new ATOM 0 HB3 LEU B 191 4.636 17.657 -16.249 1.00 1.34 H new ATOM 0 HG LEU B 191 4.625 18.126 -13.350 1.00 24.25 H new ATOM 0 HD11 LEU B 191 3.842 15.864 -12.768 1.00 14.35 H new ATOM 0 HD12 LEU B 191 2.547 16.846 -13.493 1.00 14.35 H new ATOM 0 HD13 LEU B 191 3.366 15.598 -14.462 1.00 14.35 H new ATOM 0 HD21 LEU B 191 6.195 16.227 -13.414 1.00 21.02 H new ATOM 0 HD22 LEU B 191 5.813 15.976 -15.134 1.00 21.02 H new ATOM 0 HD23 LEU B 191 6.618 17.474 -14.611 1.00 21.02 H new ATOM 1433 N ASN B 192 2.758 19.653 -17.385 1.00 0.54 N ATOM 1434 CA ASN B 192 2.327 20.080 -18.711 1.00 63.54 C ATOM 1435 C ASN B 192 1.013 19.406 -19.098 1.00 1.15 C ATOM 1436 O ASN B 192 -0.045 20.036 -19.089 1.00 1.35 O ATOM 1437 CB ASN B 192 3.403 19.759 -19.749 1.00 23.12 C ATOM 1438 CG ASN B 192 4.093 21.005 -20.271 1.00 42.24 C ATOM 1439 OD1 ASN B 192 3.444 22.005 -20.577 1.00 55.12 O ATOM 1440 ND2 ASN B 192 5.416 20.949 -20.374 1.00 30.11 N ATOM 0 H ASN B 192 2.138 18.979 -16.936 1.00 0.54 H new ATOM 0 HA ASN B 192 2.169 21.158 -18.685 1.00 63.54 H new ATOM 0 HB2 ASN B 192 4.145 19.095 -19.306 1.00 23.12 H new ATOM 0 HB3 ASN B 192 2.951 19.221 -20.582 1.00 23.12 H new ATOM 0 HD21 ASN B 192 5.935 21.756 -20.718 1.00 30.11 H new ATOM 0 HD22 ASN B 192 5.913 20.099 -20.109 1.00 30.11 H new ATOM 1447 N GLU B 193 1.091 18.124 -19.438 1.00 65.42 N ATOM 1448 CA GLU B 193 -0.093 17.366 -19.829 1.00 12.34 C ATOM 1449 C GLU B 193 0.262 15.906 -20.100 1.00 22.52 C ATOM 1450 O GLU B 193 -0.487 14.999 -19.739 1.00 54.32 O ATOM 1451 CB GLU B 193 -0.735 17.985 -21.072 1.00 64.15 C ATOM 1452 CG GLU B 193 0.258 18.304 -22.175 1.00 21.24 C ATOM 1453 CD GLU B 193 -0.404 18.901 -23.403 1.00 44.12 C ATOM 1454 OE1 GLU B 193 -0.968 18.130 -24.207 1.00 22.05 O1- ATOM 1455 OE2 GLU B 193 -0.359 20.140 -23.556 1.00 10.13 O ATOM 0 H GLU B 193 1.959 17.589 -19.451 1.00 65.42 H new ATOM 0 HA GLU B 193 -0.805 17.403 -19.005 1.00 12.34 H new ATOM 0 HB2 GLU B 193 -1.489 17.300 -21.460 1.00 64.15 H new ATOM 0 HB3 GLU B 193 -1.253 18.900 -20.785 1.00 64.15 H new ATOM 0 HG2 GLU B 193 1.006 19.000 -21.795 1.00 21.24 H new ATOM 0 HG3 GLU B 193 0.786 17.393 -22.458 1.00 21.24 H new ATOM 1462 N GLU B 194 1.408 15.691 -20.739 1.00 65.54 N ATOM 1463 CA GLU B 194 1.860 14.342 -21.060 1.00 1.20 C ATOM 1464 C GLU B 194 2.292 13.599 -19.799 1.00 50.04 C ATOM 1465 O GLU B 194 2.037 12.404 -19.652 1.00 34.21 O ATOM 1466 CB GLU B 194 3.020 14.393 -22.057 1.00 31.13 C ATOM 1467 CG GLU B 194 2.592 14.755 -23.470 1.00 70.34 C ATOM 1468 CD GLU B 194 3.742 15.265 -24.316 1.00 64.35 C ATOM 1469 OE1 GLU B 194 4.357 16.282 -23.929 1.00 32.24 O1- ATOM 1470 OE2 GLU B 194 4.028 14.648 -25.362 1.00 22.44 O ATOM 0 H GLU B 194 2.039 16.432 -21.044 1.00 65.54 H new ATOM 0 HA GLU B 194 1.026 13.804 -21.511 1.00 1.20 H new ATOM 0 HB2 GLU B 194 3.754 15.121 -21.711 1.00 31.13 H new ATOM 0 HB3 GLU B 194 3.517 13.423 -22.074 1.00 31.13 H new ATOM 0 HG2 GLU B 194 2.155 13.879 -23.949 1.00 70.34 H new ATOM 0 HG3 GLU B 194 1.813 15.516 -23.426 1.00 70.34 H new ATOM 1477 N ASP B 195 2.948 14.315 -18.892 1.00 73.12 N ATOM 1478 CA ASP B 195 3.416 13.725 -17.643 1.00 74.01 C ATOM 1479 C ASP B 195 2.248 13.167 -16.836 1.00 12.02 C ATOM 1480 O ASP B 195 2.384 12.158 -16.142 1.00 14.01 O ATOM 1481 CB ASP B 195 4.174 14.763 -16.816 1.00 61.22 C ATOM 1482 CG ASP B 195 5.520 15.113 -17.419 1.00 43.12 C ATOM 1483 OD1 ASP B 195 6.411 14.238 -17.428 1.00 41.14 O1- ATOM 1484 OD2 ASP B 195 5.684 16.262 -17.881 1.00 0.20 O ATOM 0 H ASP B 195 3.168 15.305 -18.999 1.00 73.12 H new ATOM 0 HA ASP B 195 4.091 12.905 -17.887 1.00 74.01 H new ATOM 0 HB2 ASP B 195 3.571 15.667 -16.732 1.00 61.22 H new ATOM 0 HB3 ASP B 195 4.320 14.382 -15.805 1.00 61.22 H new ATOM 1489 N THR B 196 1.099 13.830 -16.929 1.00 42.43 N ATOM 1490 CA THR B 196 -0.091 13.402 -16.205 1.00 15.33 C ATOM 1491 C THR B 196 -0.638 12.096 -16.771 1.00 4.01 C ATOM 1492 O THR B 196 -0.932 11.161 -16.027 1.00 5.54 O ATOM 1493 CB THR B 196 -1.195 14.474 -16.258 1.00 71.40 C ATOM 1494 OG1 THR B 196 -0.729 15.688 -15.659 1.00 62.12 O ATOM 1495 CG2 THR B 196 -2.448 13.996 -15.539 1.00 62.42 C ATOM 0 H THR B 196 0.968 14.666 -17.499 1.00 42.43 H new ATOM 0 HA THR B 196 0.207 13.249 -15.168 1.00 15.33 H new ATOM 0 HB THR B 196 -1.443 14.658 -17.304 1.00 71.40 H new ATOM 0 HG1 THR B 196 -0.306 16.249 -16.342 1.00 62.12 H new ATOM 0 HG21 THR B 196 -3.214 14.770 -15.590 1.00 62.42 H new ATOM 0 HG22 THR B 196 -2.817 13.088 -16.016 1.00 62.42 H new ATOM 0 HG23 THR B 196 -2.212 13.787 -14.496 1.00 62.42 H new ATOM 1503 N ASN B 197 -0.773 12.039 -18.092 1.00 11.13 N ATOM 1504 CA ASN B 197 -1.286 10.848 -18.757 1.00 53.41 C ATOM 1505 C ASN B 197 -0.295 9.692 -18.643 1.00 4.22 C ATOM 1506 O ASN B 197 -0.688 8.537 -18.475 1.00 33.24 O ATOM 1507 CB ASN B 197 -1.573 11.143 -20.231 1.00 43.11 C ATOM 1508 CG ASN B 197 -2.667 10.257 -20.795 1.00 12.24 C ATOM 1509 OD1 ASN B 197 -2.425 9.102 -21.146 1.00 21.22 O ATOM 1510 ND2 ASN B 197 -3.876 10.796 -20.887 1.00 71.21 N ATOM 0 H ASN B 197 -0.534 12.804 -18.723 1.00 11.13 H new ATOM 0 HA ASN B 197 -2.214 10.559 -18.264 1.00 53.41 H new ATOM 0 HB2 ASN B 197 -1.863 12.188 -20.340 1.00 43.11 H new ATOM 0 HB3 ASN B 197 -0.661 11.003 -20.811 1.00 43.11 H new ATOM 0 HD21 ASN B 197 -4.651 10.249 -21.261 1.00 71.21 H new ATOM 0 HD22 ASN B 197 -4.030 11.758 -20.584 1.00 71.21 H new ATOM 1517 N LEU B 198 0.991 10.013 -18.734 1.00 53.31 N ATOM 1518 CA LEU B 198 2.040 9.002 -18.640 1.00 30.23 C ATOM 1519 C LEU B 198 1.989 8.290 -17.293 1.00 14.43 C ATOM 1520 O LEU B 198 2.209 7.081 -17.210 1.00 72.34 O ATOM 1521 CB LEU B 198 3.414 9.645 -18.841 1.00 62.55 C ATOM 1522 CG LEU B 198 4.549 8.696 -19.224 1.00 73.10 C ATOM 1523 CD1 LEU B 198 4.357 8.181 -20.642 1.00 54.33 C ATOM 1524 CD2 LEU B 198 5.895 9.390 -19.084 1.00 25.25 C ATOM 0 H LEU B 198 1.333 10.964 -18.873 1.00 53.31 H new ATOM 0 HA LEU B 198 1.873 8.265 -19.425 1.00 30.23 H new ATOM 0 HB2 LEU B 198 3.327 10.406 -19.616 1.00 62.55 H new ATOM 0 HB3 LEU B 198 3.691 10.158 -17.920 1.00 62.55 H new ATOM 0 HG LEU B 198 4.530 7.844 -18.544 1.00 73.10 H new ATOM 0 HD11 LEU B 198 5.174 7.507 -20.898 1.00 54.33 H new ATOM 0 HD12 LEU B 198 3.410 7.645 -20.709 1.00 54.33 H new ATOM 0 HD13 LEU B 198 4.349 9.021 -21.336 1.00 54.33 H new ATOM 0 HD21 LEU B 198 6.691 8.699 -19.361 1.00 25.25 H new ATOM 0 HD22 LEU B 198 5.926 10.260 -19.740 1.00 25.25 H new ATOM 0 HD23 LEU B 198 6.034 9.709 -18.051 1.00 25.25 H new ATOM 1536 N LEU B 199 1.699 9.046 -16.240 1.00 72.22 N ATOM 1537 CA LEU B 199 1.617 8.485 -14.895 1.00 11.12 C ATOM 1538 C LEU B 199 0.454 7.506 -14.783 1.00 61.25 C ATOM 1539 O LEU B 199 0.615 6.390 -14.289 1.00 61.03 O ATOM 1540 CB LEU B 199 1.458 9.604 -13.865 1.00 45.41 C ATOM 1541 CG LEU B 199 1.364 9.163 -12.404 1.00 12.22 C ATOM 1542 CD1 LEU B 199 2.529 8.254 -12.045 1.00 42.11 C ATOM 1543 CD2 LEU B 199 1.326 10.373 -11.483 1.00 64.22 C ATOM 0 H LEU B 199 1.517 10.048 -16.291 1.00 72.22 H new ATOM 0 HA LEU B 199 2.542 7.944 -14.696 1.00 11.12 H new ATOM 0 HB2 LEU B 199 2.303 10.285 -13.964 1.00 45.41 H new ATOM 0 HB3 LEU B 199 0.561 10.172 -14.111 1.00 45.41 H new ATOM 0 HG LEU B 199 0.438 8.602 -12.273 1.00 12.22 H new ATOM 0 HD11 LEU B 199 2.445 7.950 -11.002 1.00 42.11 H new ATOM 0 HD12 LEU B 199 2.511 7.370 -12.683 1.00 42.11 H new ATOM 0 HD13 LEU B 199 3.467 8.789 -12.193 1.00 42.11 H new ATOM 0 HD21 LEU B 199 1.259 10.040 -10.447 1.00 64.22 H new ATOM 0 HD22 LEU B 199 2.234 10.961 -11.617 1.00 64.22 H new ATOM 0 HD23 LEU B 199 0.458 10.986 -11.724 1.00 64.22 H new ATOM 1555 N ILE B 200 -0.717 7.929 -15.246 1.00 10.03 N ATOM 1556 CA ILE B 200 -1.906 7.088 -15.200 1.00 14.22 C ATOM 1557 C ILE B 200 -1.699 5.800 -15.990 1.00 3.32 C ATOM 1558 O ILE B 200 -2.274 4.762 -15.666 1.00 71.11 O ATOM 1559 CB ILE B 200 -3.139 7.825 -15.757 1.00 72.44 C ATOM 1560 CG1 ILE B 200 -3.396 9.107 -14.962 1.00 42.01 C ATOM 1561 CG2 ILE B 200 -4.360 6.918 -15.719 1.00 42.20 C ATOM 1562 CD1 ILE B 200 -4.554 9.923 -15.489 1.00 22.12 C ATOM 0 H ILE B 200 -0.868 8.850 -15.658 1.00 10.03 H new ATOM 0 HA ILE B 200 -2.080 6.845 -14.152 1.00 14.22 H new ATOM 0 HB ILE B 200 -2.944 8.096 -16.795 1.00 72.44 H new ATOM 0 HG12 ILE B 200 -3.589 8.847 -13.921 1.00 42.01 H new ATOM 0 HG13 ILE B 200 -2.495 9.720 -14.975 1.00 42.01 H new ATOM 0 HG21 ILE B 200 -5.223 7.453 -16.116 1.00 42.20 H new ATOM 0 HG22 ILE B 200 -4.173 6.031 -16.324 1.00 42.20 H new ATOM 0 HG23 ILE B 200 -4.560 6.620 -14.690 1.00 42.20 H new ATOM 0 HD11 ILE B 200 -4.678 10.817 -14.877 1.00 22.12 H new ATOM 0 HD12 ILE B 200 -4.354 10.214 -16.520 1.00 22.12 H new ATOM 0 HD13 ILE B 200 -5.466 9.328 -15.450 1.00 22.12 H new ATOM 1574 N ASN B 201 -0.871 5.875 -17.028 1.00 63.52 N ATOM 1575 CA ASN B 201 -0.587 4.714 -17.863 1.00 34.13 C ATOM 1576 C ASN B 201 0.126 3.628 -17.062 1.00 21.34 C ATOM 1577 O ASN B 201 -0.156 2.441 -17.220 1.00 4.31 O ATOM 1578 CB ASN B 201 0.269 5.123 -19.064 1.00 74.35 C ATOM 1579 CG ASN B 201 -0.456 4.932 -20.383 1.00 52.15 C ATOM 1580 OD1 ASN B 201 0.028 4.236 -21.275 1.00 61.42 O ATOM 1581 ND2 ASN B 201 -1.624 5.551 -20.511 1.00 63.23 N ATOM 0 H ASN B 201 -0.386 6.727 -17.310 1.00 63.52 H new ATOM 0 HA ASN B 201 -1.536 4.313 -18.220 1.00 34.13 H new ATOM 0 HB2 ASN B 201 0.560 6.168 -18.960 1.00 74.35 H new ATOM 0 HB3 ASN B 201 1.187 4.536 -19.069 1.00 74.35 H new ATOM 0 HD21 ASN B 201 -2.158 5.459 -21.375 1.00 63.23 H new ATOM 0 HD22 ASN B 201 -1.987 6.118 -19.745 1.00 63.23 H new ATOM 1588 N ALA B 202 1.048 4.046 -16.202 1.00 50.51 N ATOM 1589 CA ALA B 202 1.800 3.110 -15.374 1.00 23.50 C ATOM 1590 C ALA B 202 0.932 2.552 -14.252 1.00 54.04 C ATOM 1591 O ALA B 202 0.974 1.357 -13.957 1.00 72.55 O ATOM 1592 CB ALA B 202 3.036 3.786 -14.801 1.00 0.34 C ATOM 0 H ALA B 202 1.293 5.026 -16.060 1.00 50.51 H new ATOM 0 HA ALA B 202 2.115 2.278 -16.004 1.00 23.50 H new ATOM 0 HB1 ALA B 202 3.587 3.075 -14.185 1.00 0.34 H new ATOM 0 HB2 ALA B 202 3.673 4.131 -15.616 1.00 0.34 H new ATOM 0 HB3 ALA B 202 2.735 4.638 -14.191 1.00 0.34 H new ATOM 1598 N VAL B 203 0.147 3.424 -13.628 1.00 42.03 N ATOM 1599 CA VAL B 203 -0.732 3.017 -12.537 1.00 70.21 C ATOM 1600 C VAL B 203 -1.860 2.125 -13.043 1.00 52.40 C ATOM 1601 O VAL B 203 -2.082 1.032 -12.522 1.00 34.31 O ATOM 1602 CB VAL B 203 -1.339 4.238 -11.821 1.00 73.22 C ATOM 1603 CG1 VAL B 203 -1.959 3.825 -10.495 1.00 71.53 C ATOM 1604 CG2 VAL B 203 -0.284 5.313 -11.613 1.00 0.24 C ATOM 0 H VAL B 203 0.101 4.417 -13.859 1.00 42.03 H new ATOM 0 HA VAL B 203 -0.120 2.457 -11.830 1.00 70.21 H new ATOM 0 HB VAL B 203 -2.127 4.652 -12.451 1.00 73.22 H new ATOM 0 HG11 VAL B 203 -2.383 4.701 -10.003 1.00 71.53 H new ATOM 0 HG12 VAL B 203 -2.746 3.093 -10.674 1.00 71.53 H new ATOM 0 HG13 VAL B 203 -1.193 3.385 -9.856 1.00 71.53 H new ATOM 0 HG21 VAL B 203 -0.731 6.168 -11.106 1.00 0.24 H new ATOM 0 HG22 VAL B 203 0.527 4.914 -11.005 1.00 0.24 H new ATOM 0 HG23 VAL B 203 0.109 5.629 -12.579 1.00 0.24 H new ATOM 1614 N ASP B 204 -2.569 2.599 -14.061 1.00 31.10 N ATOM 1615 CA ASP B 204 -3.674 1.843 -14.641 1.00 64.33 C ATOM 1616 C ASP B 204 -3.218 0.451 -15.065 1.00 10.21 C ATOM 1617 O ASP B 204 -3.931 -0.534 -14.869 1.00 52.23 O ATOM 1618 CB ASP B 204 -4.257 2.591 -15.841 1.00 63.23 C ATOM 1619 CG ASP B 204 -5.507 1.927 -16.385 1.00 52.34 C ATOM 1620 OD1 ASP B 204 -5.374 1.013 -17.227 1.00 24.45 O ATOM 1621 OD2 ASP B 204 -6.615 2.319 -15.969 1.00 65.55 O1- ATOM 0 H ASP B 204 -2.399 3.503 -14.502 1.00 31.10 H new ATOM 0 HA ASP B 204 -4.447 1.735 -13.880 1.00 64.33 H new ATOM 0 HB2 ASP B 204 -4.491 3.615 -15.549 1.00 63.23 H new ATOM 0 HB3 ASP B 204 -3.507 2.648 -16.630 1.00 63.23 H new ATOM 1626 N LEU B 205 -2.026 0.377 -15.648 1.00 5.41 N ATOM 1627 CA LEU B 205 -1.474 -0.895 -16.100 1.00 13.33 C ATOM 1628 C LEU B 205 -1.007 -1.738 -14.919 1.00 71.42 C ATOM 1629 O LEU B 205 -1.141 -2.963 -14.926 1.00 4.41 O ATOM 1630 CB LEU B 205 -0.308 -0.654 -17.062 1.00 42.43 C ATOM 1631 CG LEU B 205 -0.007 -1.782 -18.048 1.00 53.30 C ATOM 1632 CD1 LEU B 205 0.473 -3.023 -17.310 1.00 31.40 C ATOM 1633 CD2 LEU B 205 -1.237 -2.100 -18.886 1.00 41.10 C ATOM 0 H LEU B 205 -1.424 1.183 -15.819 1.00 5.41 H new ATOM 0 HA LEU B 205 -2.262 -1.439 -16.621 1.00 13.33 H new ATOM 0 HB2 LEU B 205 -0.514 0.253 -17.630 1.00 42.43 H new ATOM 0 HB3 LEU B 205 0.589 -0.464 -16.473 1.00 42.43 H new ATOM 0 HG LEU B 205 0.788 -1.452 -18.716 1.00 53.30 H new ATOM 0 HD11 LEU B 205 0.682 -3.815 -18.029 1.00 31.40 H new ATOM 0 HD12 LEU B 205 1.381 -2.788 -16.755 1.00 31.40 H new ATOM 0 HD13 LEU B 205 -0.300 -3.356 -16.617 1.00 31.40 H new ATOM 0 HD21 LEU B 205 -1.004 -2.905 -19.583 1.00 41.10 H new ATOM 0 HD22 LEU B 205 -2.052 -2.410 -18.232 1.00 41.10 H new ATOM 0 HD23 LEU B 205 -1.536 -1.213 -19.444 1.00 41.10 H new ATOM 1645 N ASP B 206 -0.462 -1.076 -13.904 1.00 74.32 N ATOM 1646 CA ASP B 206 0.021 -1.764 -12.712 1.00 33.34 C ATOM 1647 C ASP B 206 -1.117 -2.497 -12.010 1.00 43.22 C ATOM 1648 O ASP B 206 -0.981 -3.662 -11.637 1.00 74.31 O ATOM 1649 CB ASP B 206 0.675 -0.769 -11.753 1.00 64.42 C ATOM 1650 CG ASP B 206 2.188 -0.840 -11.788 1.00 3.05 C ATOM 1651 OD1 ASP B 206 2.769 -0.590 -12.866 1.00 3.21 O ATOM 1652 OD2 ASP B 206 2.793 -1.142 -10.739 1.00 74.11 O1- ATOM 0 H ASP B 206 -0.344 -0.063 -13.883 1.00 74.32 H new ATOM 0 HA ASP B 206 0.765 -2.499 -13.021 1.00 33.34 H new ATOM 0 HB2 ASP B 206 0.356 0.241 -12.009 1.00 64.42 H new ATOM 0 HB3 ASP B 206 0.328 -0.965 -10.738 1.00 64.42 H new ATOM 1657 N ILE B 207 -2.237 -1.805 -11.829 1.00 2.00 N ATOM 1658 CA ILE B 207 -3.398 -2.390 -11.170 1.00 21.51 C ATOM 1659 C ILE B 207 -3.999 -3.513 -12.009 1.00 11.41 C ATOM 1660 O ILE B 207 -4.380 -4.559 -11.484 1.00 31.53 O ATOM 1661 CB ILE B 207 -4.483 -1.331 -10.897 1.00 71.12 C ATOM 1662 CG1 ILE B 207 -3.999 -0.334 -9.842 1.00 72.41 C ATOM 1663 CG2 ILE B 207 -5.774 -2.000 -10.449 1.00 65.50 C ATOM 1664 CD1 ILE B 207 -3.954 1.094 -10.338 1.00 24.34 C ATOM 0 H ILE B 207 -2.365 -0.839 -12.130 1.00 2.00 H new ATOM 0 HA ILE B 207 -3.050 -2.796 -10.220 1.00 21.51 H new ATOM 0 HB ILE B 207 -4.680 -0.787 -11.821 1.00 71.12 H new ATOM 0 HG12 ILE B 207 -4.656 -0.388 -8.974 1.00 72.41 H new ATOM 0 HG13 ILE B 207 -3.003 -0.626 -9.507 1.00 72.41 H new ATOM 0 HG21 ILE B 207 -6.531 -1.239 -10.260 1.00 65.50 H new ATOM 0 HG22 ILE B 207 -6.124 -2.674 -11.230 1.00 65.50 H new ATOM 0 HG23 ILE B 207 -5.592 -2.566 -9.535 1.00 65.50 H new ATOM 0 HD11 ILE B 207 -3.602 1.746 -9.538 1.00 24.34 H new ATOM 0 HD12 ILE B 207 -3.275 1.163 -11.188 1.00 24.34 H new ATOM 0 HD13 ILE B 207 -4.953 1.404 -10.646 1.00 24.34 H new ATOM 1676 N LYS B 208 -4.078 -3.289 -13.317 1.00 61.24 N ATOM 1677 CA LYS B 208 -4.629 -4.282 -14.231 1.00 31.10 C ATOM 1678 C LYS B 208 -3.881 -5.606 -14.112 1.00 62.32 C ATOM 1679 O LYS B 208 -4.487 -6.677 -14.145 1.00 43.10 O ATOM 1680 CB LYS B 208 -4.559 -3.773 -15.673 1.00 72.44 C ATOM 1681 CG LYS B 208 -5.655 -4.327 -16.567 1.00 51.41 C ATOM 1682 CD LYS B 208 -5.705 -3.601 -17.901 1.00 30.40 C ATOM 1683 CE LYS B 208 -4.595 -4.067 -18.831 1.00 4.13 C ATOM 1684 NZ LYS B 208 -4.240 -3.026 -19.836 1.00 4.22 N1+ ATOM 0 H LYS B 208 -3.767 -2.428 -13.767 1.00 61.24 H new ATOM 0 HA LYS B 208 -5.672 -4.448 -13.961 1.00 31.10 H new ATOM 0 HB2 LYS B 208 -4.620 -2.685 -15.669 1.00 72.44 H new ATOM 0 HB3 LYS B 208 -3.589 -4.036 -16.096 1.00 72.44 H new ATOM 0 HG2 LYS B 208 -5.485 -5.390 -16.736 1.00 51.41 H new ATOM 0 HG3 LYS B 208 -6.618 -4.234 -16.065 1.00 51.41 H new ATOM 0 HD2 LYS B 208 -6.672 -3.772 -18.373 1.00 30.40 H new ATOM 0 HD3 LYS B 208 -5.616 -2.527 -17.736 1.00 30.40 H new ATOM 0 HE2 LYS B 208 -3.712 -4.321 -18.244 1.00 4.13 H new ATOM 0 HE3 LYS B 208 -4.909 -4.976 -19.345 1.00 4.13 H new ATOM 0 HZ1 LYS B 208 -3.480 -3.382 -20.451 1.00 4.22 H new ATOM 0 HZ2 LYS B 208 -5.076 -2.801 -20.413 1.00 4.22 H new ATOM 0 HZ3 LYS B 208 -3.916 -2.167 -19.347 1.00 4.22 H new ATOM 1698 N ASN B 209 -2.562 -5.524 -13.971 1.00 73.33 N ATOM 1699 CA ASN B 209 -1.732 -6.717 -13.846 1.00 63.41 C ATOM 1700 C ASN B 209 -2.067 -7.481 -12.568 1.00 33.13 C ATOM 1701 O ASN B 209 -1.943 -8.704 -12.514 1.00 2.42 O ATOM 1702 CB ASN B 209 -0.250 -6.335 -13.851 1.00 32.33 C ATOM 1703 CG ASN B 209 0.639 -7.476 -14.305 1.00 11.33 C ATOM 1704 OD1 ASN B 209 0.180 -8.606 -14.474 1.00 15.44 O ATOM 1705 ND2 ASN B 209 1.920 -7.185 -14.505 1.00 62.22 N ATOM 0 H ASN B 209 -2.045 -4.645 -13.940 1.00 73.33 H new ATOM 0 HA ASN B 209 -1.937 -7.363 -14.699 1.00 63.41 H new ATOM 0 HB2 ASN B 209 -0.101 -5.478 -14.508 1.00 32.33 H new ATOM 0 HB3 ASN B 209 0.046 -6.024 -12.849 1.00 32.33 H new ATOM 0 HD21 ASN B 209 2.566 -7.912 -14.811 1.00 62.22 H new ATOM 0 HD22 ASN B 209 2.257 -6.234 -14.353 1.00 62.22 H new