USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=4 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 Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 10 THR OG1 : rot 70:sc= -1.04 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= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 20 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.046) USER MOD Single : A 24 THR OG1 : rot 150:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0044 X(o=-0.0044,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 180 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 181 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : B 182 THR OG1 : rot 70:sc= 0.573 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= -0.0502 X(o=-0.05,f=-0.05) USER MOD Single : B 192 ASN : amide:sc= -0.415 X(o=-0.42,f=-0.81) USER MOD Single : B 196 THR OG1 : rot 160:sc= -0.0609 USER MOD Single : B 197 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : B 201 ASN : amide:sc= 0 K(o=0,f=-0.74) 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=-0.015) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 2.068 -2.049 -6.720 1.00 32.32 N ATOM 89 CA LEU A 7 2.331 -0.753 -7.336 1.00 73.51 C ATOM 90 C LEU A 7 3.672 -0.194 -6.873 1.00 54.01 C ATOM 91 O LEU A 7 3.841 1.018 -6.748 1.00 63.24 O ATOM 92 CB LEU A 7 1.211 0.231 -6.997 1.00 72.12 C ATOM 93 CG LEU A 7 -0.062 0.114 -7.836 1.00 31.04 C ATOM 94 CD1 LEU A 7 -1.204 0.879 -7.184 1.00 32.23 C ATOM 95 CD2 LEU A 7 0.183 0.621 -9.250 1.00 21.31 C ATOM 0 HA LEU A 7 2.369 -0.892 -8.416 1.00 73.51 H new ATOM 0 HB2 LEU A 7 0.944 0.100 -5.948 1.00 72.12 H new ATOM 0 HB3 LEU A 7 1.600 1.244 -7.103 1.00 72.12 H new ATOM 0 HG LEU A 7 -0.342 -0.938 -7.892 1.00 31.04 H new ATOM 0 HD11 LEU A 7 -2.101 0.784 -7.795 1.00 32.23 H new ATOM 0 HD12 LEU A 7 -1.396 0.470 -6.192 1.00 32.23 H new ATOM 0 HD13 LEU A 7 -0.934 1.931 -7.097 1.00 32.23 H new ATOM 0 HD21 LEU A 7 -0.734 0.530 -9.833 1.00 21.31 H new ATOM 0 HD22 LEU A 7 0.488 1.667 -9.214 1.00 21.31 H new ATOM 0 HD23 LEU A 7 0.970 0.029 -9.717 1.00 21.31 H new ATOM 107 N ASN A 8 4.626 -1.086 -6.623 1.00 12.13 N ATOM 108 CA ASN A 8 5.954 -0.681 -6.176 1.00 1.14 C ATOM 109 C ASN A 8 6.587 0.292 -7.166 1.00 2.21 C ATOM 110 O ASN A 8 7.061 1.361 -6.783 1.00 35.32 O ATOM 111 CB ASN A 8 6.852 -1.908 -6.003 1.00 2.21 C ATOM 112 CG ASN A 8 7.276 -2.115 -4.562 1.00 43.03 C ATOM 113 OD1 ASN A 8 6.529 -2.675 -3.759 1.00 42.10 O ATOM 114 ND2 ASN A 8 8.478 -1.663 -4.228 1.00 32.02 N ATOM 0 H ASN A 8 4.504 -2.094 -6.722 1.00 12.13 H new ATOM 0 HA ASN A 8 5.850 -0.177 -5.215 1.00 1.14 H new ATOM 0 HB2 ASN A 8 6.323 -2.794 -6.354 1.00 2.21 H new ATOM 0 HB3 ASN A 8 7.738 -1.797 -6.627 1.00 2.21 H new ATOM 0 HD21 ASN A 8 8.817 -1.773 -3.272 1.00 32.02 H new ATOM 0 HD22 ASN A 8 9.063 -1.205 -4.927 1.00 32.02 H new ATOM 121 N ASN A 9 6.590 -0.086 -8.440 1.00 13.12 N ATOM 122 CA ASN A 9 7.165 0.753 -9.485 1.00 74.45 C ATOM 123 C ASN A 9 6.403 2.069 -9.607 1.00 72.10 C ATOM 124 O ASN A 9 6.996 3.126 -9.829 1.00 73.44 O ATOM 125 CB ASN A 9 7.151 0.016 -10.826 1.00 55.13 C ATOM 126 CG ASN A 9 7.964 -1.264 -10.790 1.00 14.54 C ATOM 127 OD1 ASN A 9 7.474 -2.313 -10.374 1.00 53.11 O ATOM 128 ND2 ASN A 9 9.215 -1.182 -11.230 1.00 0.22 N ATOM 0 H ASN A 9 6.201 -0.968 -8.774 1.00 13.12 H new ATOM 0 HA ASN A 9 8.196 0.975 -9.211 1.00 74.45 H new ATOM 0 HB2 ASN A 9 6.122 -0.218 -11.098 1.00 55.13 H new ATOM 0 HB3 ASN A 9 7.545 0.672 -11.602 1.00 55.13 H new ATOM 0 HD21 ASN A 9 9.810 -2.010 -11.232 1.00 0.22 H new ATOM 0 HD22 ASN A 9 9.580 -0.291 -11.566 1.00 0.22 H new ATOM 135 N THR A 10 5.084 1.997 -9.461 1.00 3.43 N ATOM 136 CA THR A 10 4.239 3.181 -9.555 1.00 1.52 C ATOM 137 C THR A 10 4.613 4.210 -8.493 1.00 63.21 C ATOM 138 O THR A 10 4.646 5.410 -8.760 1.00 3.24 O ATOM 139 CB THR A 10 2.749 2.823 -9.404 1.00 52.15 C ATOM 140 OG1 THR A 10 2.305 2.085 -10.548 1.00 10.10 O ATOM 141 CG2 THR A 10 1.904 4.077 -9.243 1.00 10.45 C ATOM 0 H THR A 10 4.578 1.131 -9.277 1.00 3.43 H new ATOM 0 HA THR A 10 4.403 3.607 -10.545 1.00 1.52 H new ATOM 0 HB THR A 10 2.634 2.211 -8.510 1.00 52.15 H new ATOM 0 HG1 THR A 10 2.713 1.194 -10.541 1.00 10.10 H new ATOM 0 HG21 THR A 10 0.855 3.798 -9.138 1.00 10.45 H new ATOM 0 HG22 THR A 10 2.225 4.621 -8.355 1.00 10.45 H new ATOM 0 HG23 THR A 10 2.025 4.712 -10.121 1.00 10.45 H new ATOM 149 N LYS A 11 4.895 3.730 -7.286 1.00 22.14 N ATOM 150 CA LYS A 11 5.268 4.606 -6.182 1.00 12.45 C ATOM 151 C LYS A 11 6.463 5.476 -6.559 1.00 11.51 C ATOM 152 O LYS A 11 6.549 6.638 -6.160 1.00 31.25 O ATOM 153 CB LYS A 11 5.598 3.780 -4.937 1.00 43.40 C ATOM 154 CG LYS A 11 4.776 4.164 -3.718 1.00 13.30 C ATOM 155 CD LYS A 11 5.644 4.284 -2.476 1.00 74.32 C ATOM 156 CE LYS A 11 5.967 2.918 -1.889 1.00 51.45 C ATOM 157 NZ LYS A 11 6.024 2.953 -0.402 1.00 44.33 N1+ ATOM 0 H LYS A 11 4.872 2.738 -7.048 1.00 22.14 H new ATOM 0 HA LYS A 11 4.421 5.256 -5.965 1.00 12.45 H new ATOM 0 HB2 LYS A 11 5.435 2.725 -5.157 1.00 43.40 H new ATOM 0 HB3 LYS A 11 6.656 3.897 -4.703 1.00 43.40 H new ATOM 0 HG2 LYS A 11 4.270 5.112 -3.903 1.00 13.30 H new ATOM 0 HG3 LYS A 11 4.001 3.416 -3.550 1.00 13.30 H new ATOM 0 HD2 LYS A 11 6.570 4.802 -2.726 1.00 74.32 H new ATOM 0 HD3 LYS A 11 5.131 4.890 -1.729 1.00 74.32 H new ATOM 0 HE2 LYS A 11 5.212 2.199 -2.207 1.00 51.45 H new ATOM 0 HE3 LYS A 11 6.923 2.571 -2.281 1.00 51.45 H new ATOM 0 HZ1 LYS A 11 6.246 2.004 -0.041 1.00 44.33 H new ATOM 0 HZ2 LYS A 11 6.761 3.621 -0.098 1.00 44.33 H new ATOM 0 HZ3 LYS A 11 5.104 3.259 -0.026 1.00 44.33 H new ATOM 171 N LYS A 12 7.384 4.907 -7.328 1.00 34.14 N ATOM 172 CA LYS A 12 8.574 5.630 -7.762 1.00 50.12 C ATOM 173 C LYS A 12 8.222 6.673 -8.818 1.00 72.32 C ATOM 174 O LYS A 12 8.861 7.722 -8.906 1.00 23.41 O ATOM 175 CB LYS A 12 9.614 4.656 -8.319 1.00 72.12 C ATOM 176 CG LYS A 12 10.055 3.600 -7.320 1.00 65.03 C ATOM 177 CD LYS A 12 11.380 2.973 -7.719 1.00 51.44 C ATOM 178 CE LYS A 12 12.379 3.002 -6.570 1.00 25.42 C ATOM 179 NZ LYS A 12 13.194 4.247 -6.574 1.00 51.33 N1+ ATOM 0 H LYS A 12 7.330 3.946 -7.664 1.00 34.14 H new ATOM 0 HA LYS A 12 8.993 6.142 -6.896 1.00 50.12 H new ATOM 0 HB2 LYS A 12 9.202 4.162 -9.199 1.00 72.12 H new ATOM 0 HB3 LYS A 12 10.487 5.219 -8.649 1.00 72.12 H new ATOM 0 HG2 LYS A 12 10.147 4.049 -6.331 1.00 65.03 H new ATOM 0 HG3 LYS A 12 9.292 2.825 -7.248 1.00 65.03 H new ATOM 0 HD2 LYS A 12 11.216 1.943 -8.034 1.00 51.44 H new ATOM 0 HD3 LYS A 12 11.793 3.506 -8.575 1.00 51.44 H new ATOM 0 HE2 LYS A 12 11.845 2.921 -5.623 1.00 25.42 H new ATOM 0 HE3 LYS A 12 13.038 2.137 -6.640 1.00 25.42 H new ATOM 0 HZ1 LYS A 12 13.861 4.228 -5.777 1.00 51.33 H new ATOM 0 HZ2 LYS A 12 13.723 4.313 -7.467 1.00 51.33 H new ATOM 0 HZ3 LYS A 12 12.568 5.072 -6.481 1.00 51.33 H new ATOM 193 N VAL A 13 7.202 6.378 -9.619 1.00 42.35 N ATOM 194 CA VAL A 13 6.764 7.291 -10.666 1.00 32.44 C ATOM 195 C VAL A 13 6.180 8.568 -10.074 1.00 3.43 C ATOM 196 O VAL A 13 6.444 9.668 -10.560 1.00 70.44 O ATOM 197 CB VAL A 13 5.712 6.634 -11.580 1.00 61.44 C ATOM 198 CG1 VAL A 13 5.248 7.610 -12.650 1.00 51.23 C ATOM 199 CG2 VAL A 13 6.271 5.366 -12.209 1.00 12.02 C ATOM 0 H VAL A 13 6.664 5.513 -9.562 1.00 42.35 H new ATOM 0 HA VAL A 13 7.645 7.539 -11.258 1.00 32.44 H new ATOM 0 HB VAL A 13 4.849 6.362 -10.973 1.00 61.44 H new ATOM 0 HG11 VAL A 13 4.505 7.127 -13.285 1.00 51.23 H new ATOM 0 HG12 VAL A 13 4.806 8.486 -12.176 1.00 51.23 H new ATOM 0 HG13 VAL A 13 6.100 7.917 -13.257 1.00 51.23 H new ATOM 0 HG21 VAL A 13 5.515 4.915 -12.851 1.00 12.02 H new ATOM 0 HG22 VAL A 13 7.152 5.612 -12.802 1.00 12.02 H new ATOM 0 HG23 VAL A 13 6.547 4.662 -11.424 1.00 12.02 H new ATOM 209 N ALA A 14 5.384 8.415 -9.021 1.00 23.33 N ATOM 210 CA ALA A 14 4.762 9.556 -8.360 1.00 14.43 C ATOM 211 C ALA A 14 5.794 10.370 -7.587 1.00 51.35 C ATOM 212 O ALA A 14 5.732 11.598 -7.552 1.00 65.12 O ATOM 213 CB ALA A 14 3.651 9.089 -7.432 1.00 14.41 C ATOM 0 H ALA A 14 5.154 7.511 -8.607 1.00 23.33 H new ATOM 0 HA ALA A 14 4.331 10.199 -9.127 1.00 14.43 H new ATOM 0 HB1 ALA A 14 3.196 9.952 -6.946 1.00 14.41 H new ATOM 0 HB2 ALA A 14 2.894 8.557 -8.009 1.00 14.41 H new ATOM 0 HB3 ALA A 14 4.065 8.423 -6.675 1.00 14.41 H new ATOM 219 N ASN A 15 6.743 9.676 -6.965 1.00 11.54 N ATOM 220 CA ASN A 15 7.788 10.336 -6.190 1.00 73.24 C ATOM 221 C ASN A 15 8.767 11.065 -7.105 1.00 64.31 C ATOM 222 O ASN A 15 9.435 12.010 -6.689 1.00 44.42 O ATOM 223 CB ASN A 15 8.538 9.313 -5.334 1.00 73.03 C ATOM 224 CG ASN A 15 9.847 9.859 -4.795 1.00 4.34 C ATOM 225 OD1 ASN A 15 10.923 9.534 -5.297 1.00 44.02 O ATOM 226 ND2 ASN A 15 9.759 10.695 -3.766 1.00 34.31 N ATOM 0 H ASN A 15 6.810 8.658 -6.983 1.00 11.54 H new ATOM 0 HA ASN A 15 7.314 11.070 -5.538 1.00 73.24 H new ATOM 0 HB2 ASN A 15 7.905 9.006 -4.501 1.00 73.03 H new ATOM 0 HB3 ASN A 15 8.737 8.421 -5.929 1.00 73.03 H new ATOM 0 HD21 ASN A 15 10.605 11.095 -3.360 1.00 34.31 H new ATOM 0 HD22 ASN A 15 8.846 10.937 -3.382 1.00 34.31 H new ATOM 233 N ALA A 16 8.844 10.619 -8.355 1.00 41.23 N ATOM 234 CA ALA A 16 9.738 11.232 -9.330 1.00 70.52 C ATOM 235 C ALA A 16 9.509 12.736 -9.416 1.00 45.13 C ATOM 236 O ALA A 16 10.459 13.519 -9.449 1.00 35.51 O ATOM 237 CB ALA A 16 9.548 10.588 -10.695 1.00 15.02 C ATOM 0 H ALA A 16 8.299 9.836 -8.716 1.00 41.23 H new ATOM 0 HA ALA A 16 10.764 11.067 -9.001 1.00 70.52 H new ATOM 0 HB1 ALA A 16 10.221 11.054 -11.414 1.00 15.02 H new ATOM 0 HB2 ALA A 16 9.769 9.523 -10.629 1.00 15.02 H new ATOM 0 HB3 ALA A 16 8.517 10.725 -11.021 1.00 15.02 H new ATOM 243 N PHE A 17 8.242 13.137 -9.452 1.00 74.14 N ATOM 244 CA PHE A 17 7.889 14.549 -9.536 1.00 73.33 C ATOM 245 C PHE A 17 8.565 15.346 -8.424 1.00 61.30 C ATOM 246 O PHE A 17 8.839 16.535 -8.576 1.00 2.03 O ATOM 247 CB PHE A 17 6.371 14.723 -9.452 1.00 71.42 C ATOM 248 CG PHE A 17 5.627 14.036 -10.563 1.00 3.51 C ATOM 249 CD1 PHE A 17 6.104 14.078 -11.862 1.00 34.15 C ATOM 250 CD2 PHE A 17 4.451 13.351 -10.306 1.00 1.21 C ATOM 251 CE1 PHE A 17 5.422 13.448 -12.887 1.00 53.00 C ATOM 252 CE2 PHE A 17 3.765 12.719 -11.326 1.00 54.01 C ATOM 253 CZ PHE A 17 4.251 12.769 -12.619 1.00 72.12 C ATOM 0 H PHE A 17 7.443 12.504 -9.424 1.00 74.14 H new ATOM 0 HA PHE A 17 8.239 14.928 -10.496 1.00 73.33 H new ATOM 0 HB2 PHE A 17 6.021 14.334 -8.496 1.00 71.42 H new ATOM 0 HB3 PHE A 17 6.134 15.787 -9.470 1.00 71.42 H new ATOM 0 HD1 PHE A 17 7.019 14.609 -12.077 1.00 34.15 H new ATOM 0 HD2 PHE A 17 4.066 13.310 -9.298 1.00 1.21 H new ATOM 0 HE1 PHE A 17 5.805 13.487 -13.896 1.00 53.00 H new ATOM 0 HE2 PHE A 17 2.850 12.186 -11.113 1.00 54.01 H new ATOM 0 HZ PHE A 17 3.715 12.278 -13.418 1.00 72.12 H new ATOM 263 N GLY A 18 8.830 14.680 -7.304 1.00 44.42 N ATOM 264 CA GLY A 18 9.471 15.340 -6.182 1.00 2.53 C ATOM 265 C GLY A 18 8.471 15.957 -5.224 1.00 13.52 C ATOM 266 O GLY A 18 7.967 17.056 -5.463 1.00 0.22 O ATOM 0 H GLY A 18 8.612 13.695 -7.154 1.00 44.42 H new ATOM 0 HA2 GLY A 18 10.088 14.620 -5.645 1.00 2.53 H new ATOM 0 HA3 GLY A 18 10.139 16.116 -6.555 1.00 2.53 H new ATOM 270 N LEU A 19 8.182 15.251 -4.137 1.00 0.02 N ATOM 271 CA LEU A 19 7.234 15.735 -3.140 1.00 25.41 C ATOM 272 C LEU A 19 7.769 15.518 -1.729 1.00 61.22 C ATOM 273 O LEU A 19 8.201 16.460 -1.066 1.00 32.21 O ATOM 274 CB LEU A 19 5.887 15.026 -3.302 1.00 53.32 C ATOM 275 CG LEU A 19 5.145 15.287 -4.612 1.00 21.33 C ATOM 276 CD1 LEU A 19 4.517 14.004 -5.134 1.00 23.25 C ATOM 277 CD2 LEU A 19 4.085 16.362 -4.420 1.00 4.15 C ATOM 0 H LEU A 19 8.591 14.341 -3.923 1.00 0.02 H new ATOM 0 HA LEU A 19 7.096 16.805 -3.295 1.00 25.41 H new ATOM 0 HB2 LEU A 19 6.051 13.952 -3.208 1.00 53.32 H new ATOM 0 HB3 LEU A 19 5.241 15.324 -2.476 1.00 53.32 H new ATOM 0 HG LEU A 19 5.864 15.642 -5.350 1.00 21.33 H new ATOM 0 HD11 LEU A 19 3.993 14.209 -6.067 1.00 23.25 H new ATOM 0 HD12 LEU A 19 5.297 13.263 -5.311 1.00 23.25 H new ATOM 0 HD13 LEU A 19 3.811 13.619 -4.398 1.00 23.25 H new ATOM 0 HD21 LEU A 19 3.567 16.535 -5.363 1.00 4.15 H new ATOM 0 HD22 LEU A 19 3.368 16.036 -3.667 1.00 4.15 H new ATOM 0 HD23 LEU A 19 4.560 17.287 -4.092 1.00 4.15 H new ATOM 289 N ASN A 20 7.740 14.268 -1.276 1.00 2.31 N ATOM 290 CA ASN A 20 8.224 13.927 0.056 1.00 44.25 C ATOM 291 C ASN A 20 8.089 12.429 0.318 1.00 3.04 C ATOM 292 O ASN A 20 9.078 11.698 0.313 1.00 14.20 O ATOM 293 CB ASN A 20 7.453 14.712 1.120 1.00 20.35 C ATOM 294 CG ASN A 20 7.693 14.181 2.519 1.00 31.50 C ATOM 295 OD1 ASN A 20 6.753 13.975 3.287 1.00 20.32 O ATOM 296 ND2 ASN A 20 8.957 13.955 2.857 1.00 41.34 N ATOM 0 H ASN A 20 7.386 13.476 -1.812 1.00 2.31 H new ATOM 0 HA ASN A 20 9.279 14.195 0.110 1.00 44.25 H new ATOM 0 HB2 ASN A 20 7.747 15.761 1.077 1.00 20.35 H new ATOM 0 HB3 ASN A 20 6.387 14.670 0.897 1.00 20.35 H new ATOM 0 HD21 ASN A 20 9.180 13.596 3.785 1.00 41.34 H new ATOM 0 HD22 ASN A 20 9.705 14.140 2.188 1.00 41.34 H new ATOM 303 N GLU A 21 6.857 11.982 0.544 1.00 53.31 N ATOM 304 CA GLU A 21 6.594 10.573 0.807 1.00 73.43 C ATOM 305 C GLU A 21 5.095 10.311 0.919 1.00 73.12 C ATOM 306 O GLU A 21 4.579 9.346 0.356 1.00 52.04 O ATOM 307 CB GLU A 21 7.298 10.129 2.091 1.00 13.43 C ATOM 308 CG GLU A 21 8.252 8.963 1.892 1.00 64.51 C ATOM 309 CD GLU A 21 9.511 9.090 2.726 1.00 11.12 C ATOM 310 OE1 GLU A 21 9.392 9.299 3.951 1.00 51.43 O ATOM 311 OE2 GLU A 21 10.616 8.980 2.154 1.00 31.25 O1- ATOM 0 H GLU A 21 6.027 12.575 0.550 1.00 53.31 H new ATOM 0 HA GLU A 21 6.985 9.995 -0.030 1.00 73.43 H new ATOM 0 HB2 GLU A 21 7.851 10.973 2.502 1.00 13.43 H new ATOM 0 HB3 GLU A 21 6.546 9.850 2.829 1.00 13.43 H new ATOM 0 HG2 GLU A 21 7.743 8.034 2.149 1.00 64.51 H new ATOM 0 HG3 GLU A 21 8.524 8.897 0.839 1.00 64.51 H new ATOM 318 N GLU A 22 4.403 11.178 1.652 1.00 62.32 N ATOM 319 CA GLU A 22 2.963 11.039 1.840 1.00 14.34 C ATOM 320 C GLU A 22 2.214 11.360 0.550 1.00 25.41 C ATOM 321 O GLU A 22 1.251 10.680 0.194 1.00 24.45 O ATOM 322 CB GLU A 22 2.483 11.960 2.964 1.00 21.22 C ATOM 323 CG GLU A 22 2.720 11.396 4.355 1.00 32.22 C ATOM 324 CD GLU A 22 1.603 11.740 5.322 1.00 53.24 C ATOM 325 OE1 GLU A 22 0.541 11.087 5.256 1.00 63.43 O ATOM 326 OE2 GLU A 22 1.792 12.660 6.144 1.00 11.44 O1- ATOM 0 H GLU A 22 4.815 11.983 2.125 1.00 62.32 H new ATOM 0 HA GLU A 22 2.755 10.005 2.113 1.00 14.34 H new ATOM 0 HB2 GLU A 22 2.992 12.920 2.878 1.00 21.22 H new ATOM 0 HB3 GLU A 22 1.418 12.152 2.835 1.00 21.22 H new ATOM 0 HG2 GLU A 22 2.820 10.312 4.292 1.00 32.22 H new ATOM 0 HG3 GLU A 22 3.663 11.781 4.743 1.00 32.22 H new ATOM 333 N ASP A 23 2.660 12.400 -0.145 1.00 62.41 N ATOM 334 CA ASP A 23 2.033 12.812 -1.396 1.00 64.34 C ATOM 335 C ASP A 23 2.083 11.686 -2.424 1.00 24.20 C ATOM 336 O ASP A 23 1.168 11.529 -3.234 1.00 11.40 O ATOM 337 CB ASP A 23 2.722 14.058 -1.951 1.00 44.12 C ATOM 338 CG ASP A 23 2.797 15.180 -0.933 1.00 33.01 C ATOM 339 OD1 ASP A 23 1.772 15.861 -0.725 1.00 23.24 O1- ATOM 340 OD2 ASP A 23 3.882 15.377 -0.346 1.00 4.04 O ATOM 0 H ASP A 23 3.454 12.974 0.137 1.00 62.41 H new ATOM 0 HA ASP A 23 0.989 13.047 -1.191 1.00 64.34 H new ATOM 0 HB2 ASP A 23 3.729 13.798 -2.276 1.00 44.12 H new ATOM 0 HB3 ASP A 23 2.183 14.406 -2.832 1.00 44.12 H new ATOM 345 N THR A 24 3.157 10.905 -2.388 1.00 53.51 N ATOM 346 CA THR A 24 3.328 9.796 -3.317 1.00 15.03 C ATOM 347 C THR A 24 2.299 8.701 -3.063 1.00 13.20 C ATOM 348 O THR A 24 1.650 8.218 -3.989 1.00 14.43 O ATOM 349 CB THR A 24 4.742 9.190 -3.217 1.00 45.30 C ATOM 350 OG1 THR A 24 5.727 10.208 -3.425 1.00 21.31 O ATOM 351 CG2 THR A 24 4.929 8.079 -4.238 1.00 25.34 C ATOM 0 H THR A 24 3.923 11.020 -1.724 1.00 53.51 H new ATOM 0 HA THR A 24 3.184 10.200 -4.319 1.00 15.03 H new ATOM 0 HB THR A 24 4.862 8.767 -2.219 1.00 45.30 H new ATOM 0 HG1 THR A 24 6.537 9.987 -2.920 1.00 21.31 H new ATOM 0 HG21 THR A 24 5.934 7.667 -4.148 1.00 25.34 H new ATOM 0 HG22 THR A 24 4.197 7.292 -4.057 1.00 25.34 H new ATOM 0 HG23 THR A 24 4.790 8.480 -5.242 1.00 25.34 H new ATOM 359 N ASN A 25 2.155 8.314 -1.800 1.00 24.12 N ATOM 360 CA ASN A 25 1.203 7.275 -1.423 1.00 73.34 C ATOM 361 C ASN A 25 -0.232 7.757 -1.611 1.00 23.45 C ATOM 362 O ASN A 25 -1.105 6.994 -2.027 1.00 5.43 O ATOM 363 CB ASN A 25 1.425 6.855 0.031 1.00 65.45 C ATOM 364 CG ASN A 25 1.357 5.350 0.215 1.00 0.01 C ATOM 365 OD1 ASN A 25 0.446 4.833 0.862 1.00 75.43 O ATOM 366 ND2 ASN A 25 2.325 4.642 -0.355 1.00 25.51 N ATOM 0 H ASN A 25 2.685 8.704 -1.020 1.00 24.12 H new ATOM 0 HA ASN A 25 1.366 6.415 -2.072 1.00 73.34 H new ATOM 0 HB2 ASN A 25 2.397 7.216 0.366 1.00 65.45 H new ATOM 0 HB3 ASN A 25 0.674 7.330 0.662 1.00 65.45 H new ATOM 0 HD21 ASN A 25 2.334 3.626 -0.266 1.00 25.51 H new ATOM 0 HD22 ASN A 25 3.060 5.114 -0.882 1.00 25.51 H new ATOM 373 N LEU A 26 -0.469 9.028 -1.306 1.00 51.25 N ATOM 374 CA LEU A 26 -1.798 9.613 -1.441 1.00 15.33 C ATOM 375 C LEU A 26 -2.275 9.548 -2.888 1.00 3.13 C ATOM 376 O LEU A 26 -3.454 9.305 -3.154 1.00 53.13 O ATOM 377 CB LEU A 26 -1.788 11.066 -0.960 1.00 31.33 C ATOM 378 CG LEU A 26 -3.112 11.600 -0.412 1.00 61.53 C ATOM 379 CD1 LEU A 26 -2.862 12.580 0.723 1.00 4.21 C ATOM 380 CD2 LEU A 26 -3.922 12.258 -1.519 1.00 53.23 C ATOM 0 H LEU A 26 0.243 9.673 -0.963 1.00 51.25 H new ATOM 0 HA LEU A 26 -2.487 9.037 -0.824 1.00 15.33 H new ATOM 0 HB2 LEU A 26 -1.030 11.166 -0.183 1.00 31.33 H new ATOM 0 HB3 LEU A 26 -1.479 11.701 -1.791 1.00 31.33 H new ATOM 0 HG LEU A 26 -3.686 10.760 -0.020 1.00 61.53 H new ATOM 0 HD11 LEU A 26 -3.815 12.950 1.101 1.00 4.21 H new ATOM 0 HD12 LEU A 26 -2.324 12.077 1.526 1.00 4.21 H new ATOM 0 HD13 LEU A 26 -2.267 13.417 0.357 1.00 4.21 H new ATOM 0 HD21 LEU A 26 -4.861 12.632 -1.110 1.00 53.23 H new ATOM 0 HD22 LEU A 26 -3.354 13.087 -1.941 1.00 53.23 H new ATOM 0 HD23 LEU A 26 -4.132 11.527 -2.300 1.00 53.23 H new ATOM 392 N LEU A 27 -1.354 9.764 -3.821 1.00 51.22 N ATOM 393 CA LEU A 27 -1.680 9.727 -5.242 1.00 3.01 C ATOM 394 C LEU A 27 -2.165 8.341 -5.654 1.00 41.30 C ATOM 395 O LEU A 27 -3.199 8.203 -6.309 1.00 42.41 O ATOM 396 CB LEU A 27 -0.460 10.122 -6.076 1.00 44.32 C ATOM 397 CG LEU A 27 -0.642 10.079 -7.594 1.00 4.31 C ATOM 398 CD1 LEU A 27 -1.495 11.249 -8.062 1.00 74.10 C ATOM 399 CD2 LEU A 27 0.709 10.088 -8.294 1.00 43.22 C ATOM 0 H LEU A 27 -0.375 9.967 -3.619 1.00 51.22 H new ATOM 0 HA LEU A 27 -2.483 10.441 -5.424 1.00 3.01 H new ATOM 0 HB2 LEU A 27 -0.164 11.132 -5.794 1.00 44.32 H new ATOM 0 HB3 LEU A 27 0.366 9.462 -5.810 1.00 44.32 H new ATOM 0 HG LEU A 27 -1.156 9.154 -7.853 1.00 4.31 H new ATOM 0 HD11 LEU A 27 -1.614 11.202 -9.144 1.00 74.10 H new ATOM 0 HD12 LEU A 27 -2.475 11.198 -7.587 1.00 74.10 H new ATOM 0 HD13 LEU A 27 -1.008 12.186 -7.791 1.00 74.10 H new ATOM 0 HD21 LEU A 27 0.560 10.057 -9.373 1.00 43.22 H new ATOM 0 HD22 LEU A 27 1.250 10.996 -8.028 1.00 43.22 H new ATOM 0 HD23 LEU A 27 1.286 9.217 -7.982 1.00 43.22 H new ATOM 411 N ILE A 28 -1.413 7.317 -5.264 1.00 21.13 N ATOM 412 CA ILE A 28 -1.768 5.942 -5.589 1.00 21.42 C ATOM 413 C ILE A 28 -3.117 5.564 -4.986 1.00 11.31 C ATOM 414 O ILE A 28 -3.847 4.742 -5.539 1.00 44.32 O ATOM 415 CB ILE A 28 -0.701 4.951 -5.091 1.00 72.04 C ATOM 416 CG1 ILE A 28 0.653 5.259 -5.735 1.00 51.34 C ATOM 417 CG2 ILE A 28 -1.122 3.520 -5.391 1.00 62.11 C ATOM 418 CD1 ILE A 28 1.773 4.369 -5.241 1.00 12.23 C ATOM 0 H ILE A 28 -0.554 7.414 -4.723 1.00 21.13 H new ATOM 0 HA ILE A 28 -1.829 5.882 -6.676 1.00 21.42 H new ATOM 0 HB ILE A 28 -0.603 5.060 -4.011 1.00 72.04 H new ATOM 0 HG12 ILE A 28 0.565 5.152 -6.816 1.00 51.34 H new ATOM 0 HG13 ILE A 28 0.912 6.299 -5.537 1.00 51.34 H new ATOM 0 HG21 ILE A 28 -0.356 2.833 -5.032 1.00 62.11 H new ATOM 0 HG22 ILE A 28 -2.066 3.306 -4.889 1.00 62.11 H new ATOM 0 HG23 ILE A 28 -1.246 3.395 -6.467 1.00 62.11 H new ATOM 0 HD11 ILE A 28 2.703 4.643 -5.740 1.00 12.23 H new ATOM 0 HD12 ILE A 28 1.888 4.493 -4.164 1.00 12.23 H new ATOM 0 HD13 ILE A 28 1.536 3.329 -5.463 1.00 12.23 H new ATOM 430 N ASN A 29 -3.442 6.173 -3.850 1.00 32.32 N ATOM 431 CA ASN A 29 -4.704 5.902 -3.172 1.00 42.11 C ATOM 432 C ASN A 29 -5.889 6.315 -4.041 1.00 34.35 C ATOM 433 O ASN A 29 -6.887 5.601 -4.127 1.00 23.34 O ATOM 434 CB ASN A 29 -4.757 6.642 -1.834 1.00 63.04 C ATOM 435 CG ASN A 29 -6.013 6.323 -1.046 1.00 24.25 C ATOM 436 OD1 ASN A 29 -6.797 5.454 -1.430 1.00 74.15 O ATOM 437 ND2 ASN A 29 -6.211 7.026 0.062 1.00 1.52 N ATOM 0 H ASN A 29 -2.849 6.857 -3.380 1.00 32.32 H new ATOM 0 HA ASN A 29 -4.766 4.829 -2.990 1.00 42.11 H new ATOM 0 HB2 ASN A 29 -3.882 6.377 -1.241 1.00 63.04 H new ATOM 0 HB3 ASN A 29 -4.707 7.716 -2.014 1.00 63.04 H new ATOM 0 HD21 ASN A 29 -7.039 6.856 0.633 1.00 1.52 H new ATOM 0 HD22 ASN A 29 -5.535 7.737 0.343 1.00 1.52 H new ATOM 444 N ALA A 30 -5.769 7.472 -4.684 1.00 51.32 N ATOM 445 CA ALA A 30 -6.827 7.979 -5.548 1.00 25.43 C ATOM 446 C ALA A 30 -6.886 7.202 -6.859 1.00 54.24 C ATOM 447 O ALA A 30 -7.966 6.910 -7.372 1.00 1.12 O ATOM 448 CB ALA A 30 -6.622 9.461 -5.820 1.00 13.35 C ATOM 0 H ALA A 30 -4.949 8.076 -4.623 1.00 51.32 H new ATOM 0 HA ALA A 30 -7.778 7.844 -5.033 1.00 25.43 H new ATOM 0 HB1 ALA A 30 -7.420 9.826 -6.467 1.00 13.35 H new ATOM 0 HB2 ALA A 30 -6.639 10.010 -4.878 1.00 13.35 H new ATOM 0 HB3 ALA A 30 -5.660 9.611 -6.310 1.00 13.35 H new ATOM 454 N VAL A 31 -5.716 6.868 -7.396 1.00 5.12 N ATOM 455 CA VAL A 31 -5.634 6.124 -8.647 1.00 12.21 C ATOM 456 C VAL A 31 -6.143 4.698 -8.472 1.00 33.11 C ATOM 457 O VAL A 31 -6.997 4.235 -9.229 1.00 14.11 O ATOM 458 CB VAL A 31 -4.190 6.082 -9.181 1.00 62.21 C ATOM 459 CG1 VAL A 31 -4.158 5.506 -10.588 1.00 12.14 C ATOM 460 CG2 VAL A 31 -3.570 7.470 -9.150 1.00 53.52 C ATOM 0 H VAL A 31 -4.813 7.101 -6.984 1.00 5.12 H new ATOM 0 HA VAL A 31 -6.264 6.645 -9.368 1.00 12.21 H new ATOM 0 HB VAL A 31 -3.601 5.432 -8.534 1.00 62.21 H new ATOM 0 HG11 VAL A 31 -3.130 5.484 -10.949 1.00 12.14 H new ATOM 0 HG12 VAL A 31 -4.560 4.493 -10.576 1.00 12.14 H new ATOM 0 HG13 VAL A 31 -4.761 6.128 -11.249 1.00 12.14 H new ATOM 0 HG21 VAL A 31 -2.550 7.421 -9.531 1.00 53.52 H new ATOM 0 HG22 VAL A 31 -4.158 8.145 -9.772 1.00 53.52 H new ATOM 0 HG23 VAL A 31 -3.557 7.840 -8.125 1.00 53.52 H new ATOM 470 N ASP A 32 -5.612 4.006 -7.471 1.00 70.52 N ATOM 471 CA ASP A 32 -6.013 2.630 -7.195 1.00 3.41 C ATOM 472 C ASP A 32 -7.493 2.559 -6.832 1.00 31.41 C ATOM 473 O ASP A 32 -8.196 1.629 -7.231 1.00 52.40 O ATOM 474 CB ASP A 32 -5.168 2.048 -6.060 1.00 11.24 C ATOM 475 CG ASP A 32 -5.371 0.556 -5.894 1.00 35.54 C ATOM 476 OD1 ASP A 32 -4.875 -0.208 -6.749 1.00 55.32 O1- ATOM 477 OD2 ASP A 32 -6.026 0.150 -4.912 1.00 1.41 O ATOM 0 H ASP A 32 -4.903 4.374 -6.837 1.00 70.52 H new ATOM 0 HA ASP A 32 -5.850 2.041 -8.098 1.00 3.41 H new ATOM 0 HB2 ASP A 32 -4.115 2.249 -6.255 1.00 11.24 H new ATOM 0 HB3 ASP A 32 -5.421 2.552 -5.127 1.00 11.24 H new ATOM 482 N LEU A 33 -7.959 3.544 -6.074 1.00 64.21 N ATOM 483 CA LEU A 33 -9.356 3.592 -5.656 1.00 1.13 C ATOM 484 C LEU A 33 -10.262 3.964 -6.827 1.00 43.30 C ATOM 485 O LEU A 33 -11.360 3.426 -6.969 1.00 1.21 O ATOM 486 CB LEU A 33 -9.534 4.600 -4.519 1.00 3.11 C ATOM 487 CG LEU A 33 -10.964 4.792 -4.010 1.00 14.33 C ATOM 488 CD1 LEU A 33 -11.110 4.235 -2.603 1.00 74.31 C ATOM 489 CD2 LEU A 33 -11.349 6.264 -4.045 1.00 0.03 C ATOM 0 H LEU A 33 -7.391 4.321 -5.736 1.00 64.21 H new ATOM 0 HA LEU A 33 -9.638 2.600 -5.302 1.00 1.13 H new ATOM 0 HB2 LEU A 33 -8.911 4.287 -3.682 1.00 3.11 H new ATOM 0 HB3 LEU A 33 -9.156 5.566 -4.854 1.00 3.11 H new ATOM 0 HG LEU A 33 -11.639 4.244 -4.667 1.00 14.33 H new ATOM 0 HD11 LEU A 33 -12.134 4.381 -2.258 1.00 74.31 H new ATOM 0 HD12 LEU A 33 -10.877 3.170 -2.607 1.00 74.31 H new ATOM 0 HD13 LEU A 33 -10.424 4.754 -1.933 1.00 74.31 H new ATOM 0 HD21 LEU A 33 -12.369 6.382 -3.680 1.00 0.03 H new ATOM 0 HD22 LEU A 33 -10.669 6.833 -3.412 1.00 0.03 H new ATOM 0 HD23 LEU A 33 -11.285 6.632 -5.069 1.00 0.03 H new ATOM 501 N ASP A 34 -9.793 4.885 -7.661 1.00 35.30 N ATOM 502 CA ASP A 34 -10.559 5.325 -8.821 1.00 2.23 C ATOM 503 C ASP A 34 -10.815 4.165 -9.777 1.00 71.32 C ATOM 504 O ASP A 34 -11.940 3.960 -10.234 1.00 2.31 O ATOM 505 CB ASP A 34 -9.819 6.449 -9.551 1.00 63.31 C ATOM 506 CG ASP A 34 -10.167 7.820 -9.005 1.00 21.13 C ATOM 507 OD1 ASP A 34 -10.419 7.928 -7.786 1.00 74.13 O ATOM 508 OD2 ASP A 34 -10.186 8.785 -9.797 1.00 43.00 O1- ATOM 0 H ASP A 34 -8.887 5.341 -7.556 1.00 35.30 H new ATOM 0 HA ASP A 34 -11.520 5.700 -8.469 1.00 2.23 H new ATOM 0 HB2 ASP A 34 -8.744 6.289 -9.465 1.00 63.31 H new ATOM 0 HB3 ASP A 34 -10.063 6.411 -10.613 1.00 63.31 H new ATOM 513 N ILE A 35 -9.765 3.408 -10.076 1.00 52.33 N ATOM 514 CA ILE A 35 -9.876 2.268 -10.977 1.00 32.41 C ATOM 515 C ILE A 35 -10.727 1.162 -10.362 1.00 51.23 C ATOM 516 O ILE A 35 -11.542 0.538 -11.043 1.00 41.52 O ATOM 517 CB ILE A 35 -8.492 1.695 -11.335 1.00 11.12 C ATOM 518 CG1 ILE A 35 -7.710 2.693 -12.192 1.00 32.50 C ATOM 519 CG2 ILE A 35 -8.640 0.366 -12.061 1.00 2.43 C ATOM 520 CD1 ILE A 35 -6.276 2.280 -12.442 1.00 22.53 C ATOM 0 H ILE A 35 -8.827 3.564 -9.707 1.00 52.33 H new ATOM 0 HA ILE A 35 -10.356 2.631 -11.886 1.00 32.41 H new ATOM 0 HB ILE A 35 -7.937 1.522 -10.413 1.00 11.12 H new ATOM 0 HG12 ILE A 35 -8.217 2.813 -13.149 1.00 32.50 H new ATOM 0 HG13 ILE A 35 -7.719 3.666 -11.702 1.00 32.50 H new ATOM 0 HG21 ILE A 35 -7.653 -0.026 -12.307 1.00 2.43 H new ATOM 0 HG22 ILE A 35 -9.162 -0.343 -11.419 1.00 2.43 H new ATOM 0 HG23 ILE A 35 -9.211 0.514 -12.978 1.00 2.43 H new ATOM 0 HD11 ILE A 35 -5.782 3.033 -13.056 1.00 22.53 H new ATOM 0 HD12 ILE A 35 -5.753 2.187 -11.490 1.00 22.53 H new ATOM 0 HD13 ILE A 35 -6.259 1.321 -12.960 1.00 22.53 H new ATOM 532 N LYS A 36 -10.534 0.925 -9.069 1.00 62.21 N ATOM 533 CA LYS A 36 -11.286 -0.103 -8.358 1.00 14.22 C ATOM 534 C LYS A 36 -12.787 0.133 -8.489 1.00 24.42 C ATOM 535 O LYS A 36 -13.562 -0.811 -8.640 1.00 20.40 O ATOM 536 CB LYS A 36 -10.889 -0.125 -6.880 1.00 32.05 C ATOM 537 CG LYS A 36 -11.288 -1.402 -6.162 1.00 62.24 C ATOM 538 CD LYS A 36 -11.419 -1.181 -4.664 1.00 61.33 C ATOM 539 CE LYS A 36 -10.063 -0.956 -4.013 1.00 61.02 C ATOM 540 NZ LYS A 36 -10.160 -0.921 -2.528 1.00 41.31 N1+ ATOM 0 H LYS A 36 -9.863 1.431 -8.491 1.00 62.21 H new ATOM 0 HA LYS A 36 -11.047 -1.068 -8.806 1.00 14.22 H new ATOM 0 HB2 LYS A 36 -9.810 0.004 -6.800 1.00 32.05 H new ATOM 0 HB3 LYS A 36 -11.350 0.724 -6.376 1.00 32.05 H new ATOM 0 HG2 LYS A 36 -12.235 -1.765 -6.562 1.00 62.24 H new ATOM 0 HG3 LYS A 36 -10.544 -2.176 -6.353 1.00 62.24 H new ATOM 0 HD2 LYS A 36 -12.061 -0.320 -4.477 1.00 61.33 H new ATOM 0 HD3 LYS A 36 -11.904 -2.045 -4.209 1.00 61.33 H new ATOM 0 HE2 LYS A 36 -9.380 -1.750 -4.314 1.00 61.02 H new ATOM 0 HE3 LYS A 36 -9.639 -0.018 -4.371 1.00 61.02 H new ATOM 0 HZ1 LYS A 36 -9.215 -0.766 -2.122 1.00 41.31 H new ATOM 0 HZ2 LYS A 36 -10.792 -0.147 -2.240 1.00 41.31 H new ATOM 0 HZ3 LYS A 36 -10.540 -1.826 -2.184 1.00 41.31 H new ATOM 554 N ASN A 37 -13.191 1.397 -8.430 1.00 12.11 N ATOM 555 CA ASN A 37 -14.600 1.756 -8.543 1.00 41.02 C ATOM 556 C ASN A 37 -15.141 1.406 -9.926 1.00 40.42 C ATOM 557 O ASN A 37 -16.332 1.143 -10.089 1.00 54.43 O ATOM 558 CB ASN A 37 -14.790 3.250 -8.272 1.00 63.13 C ATOM 559 CG ASN A 37 -15.218 3.528 -6.844 1.00 50.05 C ATOM 560 OD1 ASN A 37 -16.254 4.149 -6.603 1.00 32.21 O ATOM 561 ND2 ASN A 37 -14.420 3.068 -5.887 1.00 12.41 N ATOM 0 H ASN A 37 -12.563 2.191 -8.305 1.00 12.11 H new ATOM 0 HA ASN A 37 -15.156 1.185 -7.799 1.00 41.02 H new ATOM 0 HB2 ASN A 37 -13.857 3.775 -8.478 1.00 63.13 H new ATOM 0 HB3 ASN A 37 -15.538 3.649 -8.957 1.00 63.13 H new ATOM 0 HD21 ASN A 37 -14.656 3.224 -4.907 1.00 12.41 H new ATOM 0 HD22 ASN A 37 -13.571 2.558 -6.132 1.00 12.41 H new ATOM 568 N ASN A 38 -14.257 1.404 -10.918 1.00 2.53 N ATOM 569 CA ASN A 38 -14.646 1.087 -12.288 1.00 50.23 C ATOM 570 C ASN A 38 -14.768 -0.422 -12.482 1.00 4.44 C ATOM 571 O ASN A 38 -15.478 -0.887 -13.374 1.00 44.43 O ATOM 572 CB ASN A 38 -13.627 1.659 -13.275 1.00 35.44 C ATOM 573 CG ASN A 38 -14.256 2.034 -14.603 1.00 4.33 C ATOM 574 OD1 ASN A 38 -14.721 1.172 -15.348 1.00 71.32 O ATOM 575 ND2 ASN A 38 -14.274 3.327 -14.904 1.00 40.10 N ATOM 0 H ASN A 38 -13.267 1.618 -10.799 1.00 2.53 H new ATOM 0 HA ASN A 38 -15.619 1.540 -12.478 1.00 50.23 H new ATOM 0 HB2 ASN A 38 -13.156 2.539 -12.838 1.00 35.44 H new ATOM 0 HB3 ASN A 38 -12.838 0.926 -13.444 1.00 35.44 H new ATOM 0 HD21 ASN A 38 -14.685 3.640 -15.783 1.00 40.10 H new ATOM 0 HD22 ASN A 38 -13.877 4.007 -14.256 1.00 40.10 H new ATOM 582 N MET A 39 -14.073 -1.180 -11.641 1.00 13.54 N ATOM 583 CA MET A 39 -14.104 -2.635 -11.720 1.00 62.02 C ATOM 584 C MET A 39 -15.541 -3.148 -11.726 1.00 31.23 C ATOM 585 O MET A 39 -15.834 -4.190 -12.312 1.00 62.05 O ATOM 586 CB MET A 39 -13.338 -3.247 -10.546 1.00 73.40 C ATOM 587 CG MET A 39 -13.333 -4.768 -10.550 1.00 12.13 C ATOM 588 SD MET A 39 -12.475 -5.456 -11.979 1.00 13.24 S ATOM 589 CE MET A 39 -13.193 -7.095 -12.049 1.00 74.23 C ATOM 0 H MET A 39 -13.481 -0.811 -10.897 1.00 13.54 H new ATOM 0 HA MET A 39 -13.625 -2.934 -12.653 1.00 62.02 H new ATOM 0 HB2 MET A 39 -12.309 -2.888 -10.568 1.00 73.40 H new ATOM 0 HB3 MET A 39 -13.778 -2.896 -9.613 1.00 73.40 H new ATOM 0 HG2 MET A 39 -12.858 -5.128 -9.638 1.00 12.13 H new ATOM 0 HG3 MET A 39 -14.361 -5.131 -10.539 1.00 12.13 H new ATOM 0 HE1 MET A 39 -12.762 -7.646 -12.885 1.00 74.23 H new ATOM 0 HE2 MET A 39 -12.984 -7.624 -11.119 1.00 74.23 H new ATOM 0 HE3 MET A 39 -14.271 -7.014 -12.186 1.00 74.23 H new ATOM 1232 N LEU B 179 -10.567 7.494 -14.412 1.00 73.53 N ATOM 1233 CA LEU B 179 -9.618 8.284 -13.635 1.00 64.23 C ATOM 1234 C LEU B 179 -9.693 9.757 -14.021 1.00 11.23 C ATOM 1235 O LEU B 179 -8.670 10.398 -14.264 1.00 63.31 O ATOM 1236 CB LEU B 179 -8.197 7.761 -13.844 1.00 74.40 C ATOM 1237 CG LEU B 179 -7.847 6.458 -13.123 1.00 4.15 C ATOM 1238 CD1 LEU B 179 -6.753 5.711 -13.870 1.00 3.24 C ATOM 1239 CD2 LEU B 179 -7.422 6.739 -11.690 1.00 13.44 C ATOM 0 HA LEU B 179 -9.881 8.190 -12.581 1.00 64.23 H new ATOM 0 HB2 LEU B 179 -8.039 7.615 -14.913 1.00 74.40 H new ATOM 0 HB3 LEU B 179 -7.497 8.531 -13.520 1.00 74.40 H new ATOM 0 HG LEU B 179 -8.736 5.828 -13.100 1.00 4.15 H new ATOM 0 HD11 LEU B 179 -6.518 4.787 -13.342 1.00 3.24 H new ATOM 0 HD12 LEU B 179 -7.096 5.476 -14.878 1.00 3.24 H new ATOM 0 HD13 LEU B 179 -5.860 6.334 -13.927 1.00 3.24 H new ATOM 0 HD21 LEU B 179 -7.177 5.801 -11.193 1.00 13.44 H new ATOM 0 HD22 LEU B 179 -6.547 7.389 -11.691 1.00 13.44 H new ATOM 0 HD23 LEU B 179 -8.237 7.229 -11.158 1.00 13.44 H new ATOM 1251 N ASN B 180 -10.910 10.290 -14.075 1.00 60.11 N ATOM 1252 CA ASN B 180 -11.117 11.689 -14.430 1.00 24.55 C ATOM 1253 C ASN B 180 -10.548 12.613 -13.358 1.00 72.03 C ATOM 1254 O ASN B 180 -9.828 13.563 -13.661 1.00 10.13 O ATOM 1255 CB ASN B 180 -12.609 11.972 -14.623 1.00 54.13 C ATOM 1256 CG ASN B 180 -12.945 12.346 -16.053 1.00 2.25 C ATOM 1257 OD1 ASN B 180 -13.050 11.483 -16.925 1.00 0.44 O ATOM 1258 ND2 ASN B 180 -13.117 13.640 -16.301 1.00 61.31 N ATOM 0 H ASN B 180 -11.767 9.774 -13.877 1.00 60.11 H new ATOM 0 HA ASN B 180 -10.593 11.882 -15.366 1.00 24.55 H new ATOM 0 HB2 ASN B 180 -13.183 11.091 -14.336 1.00 54.13 H new ATOM 0 HB3 ASN B 180 -12.912 12.781 -13.958 1.00 54.13 H new ATOM 0 HD21 ASN B 180 -13.346 13.952 -17.245 1.00 61.31 H new ATOM 0 HD22 ASN B 180 -13.020 14.321 -15.548 1.00 61.31 H new ATOM 1265 N ASN B 181 -10.874 12.325 -12.102 1.00 64.44 N ATOM 1266 CA ASN B 181 -10.396 13.130 -10.985 1.00 54.55 C ATOM 1267 C ASN B 181 -8.898 12.930 -10.772 1.00 30.14 C ATOM 1268 O ASN B 181 -8.164 13.883 -10.506 1.00 21.25 O ATOM 1269 CB ASN B 181 -11.154 12.768 -9.706 1.00 24.15 C ATOM 1270 CG ASN B 181 -12.599 13.228 -9.742 1.00 22.44 C ATOM 1271 OD1 ASN B 181 -13.435 12.633 -10.421 1.00 62.31 O ATOM 1272 ND2 ASN B 181 -12.899 14.293 -9.008 1.00 13.42 N ATOM 0 H ASN B 181 -11.467 11.540 -11.833 1.00 64.44 H new ATOM 0 HA ASN B 181 -10.576 14.178 -11.223 1.00 54.55 H new ATOM 0 HB2 ASN B 181 -11.123 11.688 -9.561 1.00 24.15 H new ATOM 0 HB3 ASN B 181 -10.653 13.219 -8.850 1.00 24.15 H new ATOM 0 HD21 ASN B 181 -13.855 14.649 -8.992 1.00 13.42 H new ATOM 0 HD22 ASN B 181 -12.174 14.755 -8.460 1.00 13.42 H new ATOM 1279 N THR B 182 -8.449 11.685 -10.894 1.00 14.02 N ATOM 1280 CA THR B 182 -7.040 11.359 -10.716 1.00 41.12 C ATOM 1281 C THR B 182 -6.170 12.119 -11.711 1.00 13.30 C ATOM 1282 O THR B 182 -5.112 12.639 -11.356 1.00 55.32 O ATOM 1283 CB THR B 182 -6.787 9.849 -10.880 1.00 52.12 C ATOM 1284 OG1 THR B 182 -7.449 9.126 -9.836 1.00 73.34 O ATOM 1285 CG2 THR B 182 -5.297 9.543 -10.849 1.00 61.23 C ATOM 0 H THR B 182 -9.042 10.885 -11.116 1.00 14.02 H new ATOM 0 HA THR B 182 -6.773 11.656 -9.702 1.00 41.12 H new ATOM 0 HB THR B 182 -7.185 9.539 -11.846 1.00 52.12 H new ATOM 0 HG1 THR B 182 -8.419 9.174 -9.969 1.00 73.34 H new ATOM 0 HG21 THR B 182 -5.143 8.470 -10.967 1.00 61.23 H new ATOM 0 HG22 THR B 182 -4.800 10.072 -11.662 1.00 61.23 H new ATOM 0 HG23 THR B 182 -4.879 9.867 -9.896 1.00 61.23 H new ATOM 1293 N LYS B 183 -6.623 12.182 -12.959 1.00 73.04 N ATOM 1294 CA LYS B 183 -5.887 12.879 -14.006 1.00 44.33 C ATOM 1295 C LYS B 183 -5.604 14.323 -13.602 1.00 22.32 C ATOM 1296 O LYS B 183 -4.548 14.871 -13.916 1.00 55.22 O ATOM 1297 CB LYS B 183 -6.676 12.852 -15.317 1.00 31.44 C ATOM 1298 CG LYS B 183 -5.879 13.331 -16.517 1.00 35.14 C ATOM 1299 CD LYS B 183 -6.622 13.077 -17.818 1.00 11.30 C ATOM 1300 CE LYS B 183 -7.720 14.105 -18.042 1.00 11.33 C ATOM 1301 NZ LYS B 183 -7.355 15.086 -19.101 1.00 34.12 N1+ ATOM 0 H LYS B 183 -7.497 11.758 -13.269 1.00 73.04 H new ATOM 0 HA LYS B 183 -4.936 12.366 -14.150 1.00 44.33 H new ATOM 0 HB2 LYS B 183 -7.020 11.835 -15.503 1.00 31.44 H new ATOM 0 HB3 LYS B 183 -7.564 13.475 -15.209 1.00 31.44 H new ATOM 0 HG2 LYS B 183 -5.674 14.397 -16.416 1.00 35.14 H new ATOM 0 HG3 LYS B 183 -4.916 12.822 -16.542 1.00 35.14 H new ATOM 0 HD2 LYS B 183 -5.920 13.106 -18.651 1.00 11.30 H new ATOM 0 HD3 LYS B 183 -7.056 12.077 -17.801 1.00 11.30 H new ATOM 0 HE2 LYS B 183 -8.642 13.596 -18.321 1.00 11.33 H new ATOM 0 HE3 LYS B 183 -7.918 14.634 -17.110 1.00 11.33 H new ATOM 0 HZ1 LYS B 183 -8.130 15.769 -19.223 1.00 34.12 H new ATOM 0 HZ2 LYS B 183 -6.489 15.590 -18.823 1.00 34.12 H new ATOM 0 HZ3 LYS B 183 -7.191 14.584 -19.997 1.00 34.12 H new ATOM 1315 N LYS B 184 -6.554 14.934 -12.902 1.00 3.04 N ATOM 1316 CA LYS B 184 -6.407 16.314 -12.452 1.00 35.33 C ATOM 1317 C LYS B 184 -5.427 16.403 -11.286 1.00 22.32 C ATOM 1318 O LYS B 184 -4.721 17.399 -11.132 1.00 41.35 O ATOM 1319 CB LYS B 184 -7.765 16.884 -12.037 1.00 15.10 C ATOM 1320 CG LYS B 184 -7.704 18.336 -11.595 1.00 23.41 C ATOM 1321 CD LYS B 184 -8.995 18.767 -10.920 1.00 21.45 C ATOM 1322 CE LYS B 184 -8.889 20.178 -10.362 1.00 54.13 C ATOM 1323 NZ LYS B 184 -9.998 20.487 -9.418 1.00 33.30 N1+ ATOM 0 H LYS B 184 -7.435 14.495 -12.634 1.00 3.04 H new ATOM 0 HA LYS B 184 -6.012 16.901 -13.281 1.00 35.33 H new ATOM 0 HB2 LYS B 184 -8.458 16.796 -12.874 1.00 15.10 H new ATOM 0 HB3 LYS B 184 -8.170 16.282 -11.224 1.00 15.10 H new ATOM 0 HG2 LYS B 184 -6.869 18.473 -10.908 1.00 23.41 H new ATOM 0 HG3 LYS B 184 -7.514 18.973 -12.459 1.00 23.41 H new ATOM 0 HD2 LYS B 184 -9.815 18.719 -11.637 1.00 21.45 H new ATOM 0 HD3 LYS B 184 -9.235 18.073 -10.114 1.00 21.45 H new ATOM 0 HE2 LYS B 184 -7.934 20.295 -9.850 1.00 54.13 H new ATOM 0 HE3 LYS B 184 -8.901 20.895 -11.183 1.00 54.13 H new ATOM 0 HZ1 LYS B 184 -9.889 21.457 -9.060 1.00 33.30 H new ATOM 0 HZ2 LYS B 184 -10.909 20.400 -9.912 1.00 33.30 H new ATOM 0 HZ3 LYS B 184 -9.972 19.819 -8.621 1.00 33.30 H new ATOM 1337 N VAL B 185 -5.389 15.355 -10.469 1.00 30.14 N ATOM 1338 CA VAL B 185 -4.495 15.315 -9.319 1.00 70.25 C ATOM 1339 C VAL B 185 -3.037 15.236 -9.759 1.00 32.11 C ATOM 1340 O VAL B 185 -2.160 15.846 -9.149 1.00 4.45 O ATOM 1341 CB VAL B 185 -4.809 14.116 -8.405 1.00 24.42 C ATOM 1342 CG1 VAL B 185 -3.845 14.074 -7.229 1.00 31.42 C ATOM 1343 CG2 VAL B 185 -6.250 14.179 -7.922 1.00 43.35 C ATOM 0 H VAL B 185 -5.967 14.523 -10.583 1.00 30.14 H new ATOM 0 HA VAL B 185 -4.654 16.238 -8.762 1.00 70.25 H new ATOM 0 HB VAL B 185 -4.682 13.199 -8.980 1.00 24.42 H new ATOM 0 HG11 VAL B 185 -4.082 13.220 -6.594 1.00 31.42 H new ATOM 0 HG12 VAL B 185 -2.824 13.979 -7.599 1.00 31.42 H new ATOM 0 HG13 VAL B 185 -3.937 14.993 -6.650 1.00 31.42 H new ATOM 0 HG21 VAL B 185 -6.455 13.324 -7.277 1.00 43.35 H new ATOM 0 HG22 VAL B 185 -6.406 15.101 -7.363 1.00 43.35 H new ATOM 0 HG23 VAL B 185 -6.922 14.156 -8.780 1.00 43.35 H new ATOM 1353 N ALA B 186 -2.786 14.479 -10.822 1.00 21.20 N ATOM 1354 CA ALA B 186 -1.435 14.321 -11.345 1.00 21.11 C ATOM 1355 C ALA B 186 -0.954 15.603 -12.017 1.00 13.14 C ATOM 1356 O ALA B 186 0.248 15.844 -12.128 1.00 2.21 O ATOM 1357 CB ALA B 186 -1.380 13.158 -12.324 1.00 72.24 C ATOM 0 H ALA B 186 -3.501 13.966 -11.338 1.00 21.20 H new ATOM 0 HA ALA B 186 -0.770 14.108 -10.508 1.00 21.11 H new ATOM 0 HB1 ALA B 186 -0.365 13.052 -12.706 1.00 72.24 H new ATOM 0 HB2 ALA B 186 -1.674 12.240 -11.815 1.00 72.24 H new ATOM 0 HB3 ALA B 186 -2.062 13.348 -13.153 1.00 72.24 H new ATOM 1363 N ASN B 187 -1.900 16.421 -12.467 1.00 41.22 N ATOM 1364 CA ASN B 187 -1.572 17.678 -13.130 1.00 74.31 C ATOM 1365 C ASN B 187 -1.205 18.752 -12.110 1.00 42.11 C ATOM 1366 O ASN B 187 -0.526 19.726 -12.435 1.00 70.43 O ATOM 1367 CB ASN B 187 -2.750 18.151 -13.983 1.00 13.04 C ATOM 1368 CG ASN B 187 -2.475 19.478 -14.664 1.00 3.33 C ATOM 1369 OD1 ASN B 187 -1.506 19.617 -15.409 1.00 33.03 O ATOM 1370 ND2 ASN B 187 -3.330 20.461 -14.409 1.00 4.51 N ATOM 0 H ASN B 187 -2.900 16.236 -12.385 1.00 41.22 H new ATOM 0 HA ASN B 187 -0.711 17.505 -13.775 1.00 74.31 H new ATOM 0 HB2 ASN B 187 -2.974 17.398 -14.738 1.00 13.04 H new ATOM 0 HB3 ASN B 187 -3.636 18.245 -13.354 1.00 13.04 H new ATOM 0 HD21 ASN B 187 -3.197 21.377 -14.838 1.00 4.51 H new ATOM 0 HD22 ASN B 187 -4.120 20.300 -13.784 1.00 4.51 H new ATOM 1377 N ALA B 188 -1.659 18.566 -10.874 1.00 3.35 N ATOM 1378 CA ALA B 188 -1.378 19.517 -9.806 1.00 13.40 C ATOM 1379 C ALA B 188 0.113 19.560 -9.488 1.00 63.51 C ATOM 1380 O ALA B 188 0.652 20.606 -9.125 1.00 24.22 O ATOM 1381 CB ALA B 188 -2.176 19.163 -8.560 1.00 52.11 C ATOM 0 H ALA B 188 -2.223 17.765 -10.588 1.00 3.35 H new ATOM 0 HA ALA B 188 -1.679 20.508 -10.147 1.00 13.40 H new ATOM 0 HB1 ALA B 188 -1.956 19.882 -7.771 1.00 52.11 H new ATOM 0 HB2 ALA B 188 -3.241 19.191 -8.790 1.00 52.11 H new ATOM 0 HB3 ALA B 188 -1.903 18.162 -8.225 1.00 52.11 H new ATOM 1387 N PHE B 189 0.776 18.416 -9.627 1.00 21.50 N ATOM 1388 CA PHE B 189 2.204 18.322 -9.353 1.00 53.34 C ATOM 1389 C PHE B 189 2.984 19.351 -10.168 1.00 24.30 C ATOM 1390 O PHE B 189 4.067 19.780 -9.774 1.00 74.33 O ATOM 1391 CB PHE B 189 2.714 16.914 -9.665 1.00 13.11 C ATOM 1392 CG PHE B 189 2.241 15.874 -8.691 1.00 11.11 C ATOM 1393 CD1 PHE B 189 2.265 16.121 -7.328 1.00 51.53 C ATOM 1394 CD2 PHE B 189 1.771 14.650 -9.137 1.00 32.12 C ATOM 1395 CE1 PHE B 189 1.830 15.166 -6.427 1.00 3.44 C ATOM 1396 CE2 PHE B 189 1.334 13.692 -8.242 1.00 22.24 C ATOM 1397 CZ PHE B 189 1.364 13.951 -6.886 1.00 72.33 C ATOM 0 H PHE B 189 0.346 17.541 -9.928 1.00 21.50 H new ATOM 0 HA PHE B 189 2.359 18.530 -8.294 1.00 53.34 H new ATOM 0 HB2 PHE B 189 2.392 16.634 -10.668 1.00 13.11 H new ATOM 0 HB3 PHE B 189 3.804 16.925 -9.672 1.00 13.11 H new ATOM 0 HD1 PHE B 189 2.628 17.071 -6.964 1.00 51.53 H new ATOM 0 HD2 PHE B 189 1.746 14.442 -10.196 1.00 32.12 H new ATOM 0 HE1 PHE B 189 1.855 15.371 -5.367 1.00 3.44 H new ATOM 0 HE2 PHE B 189 0.969 12.742 -8.603 1.00 22.24 H new ATOM 0 HZ PHE B 189 1.023 13.203 -6.185 1.00 72.33 H new ATOM 1407 N GLY B 190 2.422 19.741 -11.309 1.00 41.33 N ATOM 1408 CA GLY B 190 3.077 20.714 -12.162 1.00 12.44 C ATOM 1409 C GLY B 190 4.056 20.074 -13.127 1.00 3.14 C ATOM 1410 O GLY B 190 5.205 19.809 -12.772 1.00 30.34 O ATOM 0 H GLY B 190 1.526 19.400 -11.657 1.00 41.33 H new ATOM 0 HA2 GLY B 190 2.323 21.264 -12.725 1.00 12.44 H new ATOM 0 HA3 GLY B 190 3.604 21.439 -11.542 1.00 12.44 H new ATOM 1414 N LEU B 191 3.601 19.824 -14.349 1.00 12.03 N ATOM 1415 CA LEU B 191 4.444 19.209 -15.369 1.00 41.43 C ATOM 1416 C LEU B 191 4.157 19.803 -16.744 1.00 43.51 C ATOM 1417 O LEU B 191 4.941 20.596 -17.264 1.00 63.22 O ATOM 1418 CB LEU B 191 4.221 17.696 -15.397 1.00 32.33 C ATOM 1419 CG LEU B 191 4.630 16.933 -14.138 1.00 64.34 C ATOM 1420 CD1 LEU B 191 3.571 15.905 -13.769 1.00 34.42 C ATOM 1421 CD2 LEU B 191 5.981 16.262 -14.334 1.00 75.13 C ATOM 0 H LEU B 191 2.653 20.037 -14.658 1.00 12.03 H new ATOM 0 HA LEU B 191 5.485 19.412 -15.117 1.00 41.43 H new ATOM 0 HB2 LEU B 191 3.164 17.508 -15.584 1.00 32.33 H new ATOM 0 HB3 LEU B 191 4.772 17.284 -16.242 1.00 32.33 H new ATOM 0 HG LEU B 191 4.717 17.646 -13.318 1.00 64.34 H new ATOM 0 HD11 LEU B 191 3.880 15.371 -12.870 1.00 34.42 H new ATOM 0 HD12 LEU B 191 2.623 16.410 -13.584 1.00 34.42 H new ATOM 0 HD13 LEU B 191 3.451 15.196 -14.588 1.00 34.42 H new ATOM 0 HD21 LEU B 191 6.255 15.724 -13.427 1.00 75.13 H new ATOM 0 HD22 LEU B 191 5.922 15.562 -15.167 1.00 75.13 H new ATOM 0 HD23 LEU B 191 6.735 17.019 -14.549 1.00 75.13 H new ATOM 1433 N ASN B 192 3.027 19.415 -17.327 1.00 44.41 N ATOM 1434 CA ASN B 192 2.636 19.911 -18.641 1.00 4.25 C ATOM 1435 C ASN B 192 1.298 19.318 -19.070 1.00 31.45 C ATOM 1436 O ASN B 192 0.281 20.010 -19.096 1.00 22.42 O ATOM 1437 CB ASN B 192 3.711 19.577 -19.676 1.00 32.32 C ATOM 1438 CG ASN B 192 4.437 20.810 -20.176 1.00 61.00 C ATOM 1439 OD1 ASN B 192 5.572 21.079 -19.782 1.00 73.25 O ATOM 1440 ND2 ASN B 192 3.784 21.568 -21.050 1.00 24.30 N ATOM 0 H ASN B 192 2.367 18.759 -16.910 1.00 44.41 H new ATOM 0 HA ASN B 192 2.529 20.994 -18.576 1.00 4.25 H new ATOM 0 HB2 ASN B 192 4.432 18.888 -19.237 1.00 32.32 H new ATOM 0 HB3 ASN B 192 3.251 19.063 -20.520 1.00 32.32 H new ATOM 0 HD21 ASN B 192 4.222 22.411 -21.422 1.00 24.30 H new ATOM 0 HD22 ASN B 192 2.844 21.307 -21.349 1.00 24.30 H new ATOM 1447 N GLU B 193 1.308 18.031 -19.406 1.00 40.23 N ATOM 1448 CA GLU B 193 0.095 17.345 -19.834 1.00 64.21 C ATOM 1449 C GLU B 193 0.380 15.877 -20.141 1.00 0.34 C ATOM 1450 O GLU B 193 -0.388 14.994 -19.762 1.00 73.10 O ATOM 1451 CB GLU B 193 -0.497 18.030 -21.067 1.00 44.21 C ATOM 1452 CG GLU B 193 -1.871 18.636 -20.826 1.00 52.11 C ATOM 1453 CD GLU B 193 -2.906 18.146 -21.820 1.00 13.32 C ATOM 1454 OE1 GLU B 193 -3.058 18.786 -22.882 1.00 32.41 O1- ATOM 1455 OE2 GLU B 193 -3.563 17.124 -21.535 1.00 21.55 O ATOM 0 H GLU B 193 2.142 17.444 -19.390 1.00 40.23 H new ATOM 0 HA GLU B 193 -0.627 17.394 -19.019 1.00 64.21 H new ATOM 0 HB2 GLU B 193 0.184 18.814 -21.399 1.00 44.21 H new ATOM 0 HB3 GLU B 193 -0.566 17.304 -21.877 1.00 44.21 H new ATOM 0 HG2 GLU B 193 -2.199 18.393 -19.815 1.00 52.11 H new ATOM 0 HG3 GLU B 193 -1.801 19.722 -20.886 1.00 52.11 H new ATOM 1462 N GLU B 194 1.488 15.629 -20.832 1.00 63.33 N ATOM 1463 CA GLU B 194 1.874 14.268 -21.192 1.00 2.53 C ATOM 1464 C GLU B 194 2.331 13.490 -19.962 1.00 33.53 C ATOM 1465 O GLU B 194 2.037 12.302 -19.822 1.00 1.11 O ATOM 1466 CB GLU B 194 2.989 14.292 -22.239 1.00 35.52 C ATOM 1467 CG GLU B 194 2.587 13.677 -23.570 1.00 10.52 C ATOM 1468 CD GLU B 194 2.474 12.167 -23.504 1.00 72.21 C ATOM 1469 OE1 GLU B 194 3.519 11.489 -23.598 1.00 3.24 O ATOM 1470 OE2 GLU B 194 1.341 11.662 -23.359 1.00 70.21 O1- ATOM 0 H GLU B 194 2.133 16.350 -21.154 1.00 63.33 H new ATOM 0 HA GLU B 194 1.002 13.768 -21.613 1.00 2.53 H new ATOM 0 HB2 GLU B 194 3.299 15.324 -22.404 1.00 35.52 H new ATOM 0 HB3 GLU B 194 3.855 13.758 -21.848 1.00 35.52 H new ATOM 0 HG2 GLU B 194 1.631 14.096 -23.886 1.00 10.52 H new ATOM 0 HG3 GLU B 194 3.321 13.950 -24.329 1.00 10.52 H new ATOM 1477 N ASP B 195 3.052 14.166 -19.075 1.00 34.12 N ATOM 1478 CA ASP B 195 3.552 13.538 -17.858 1.00 65.14 C ATOM 1479 C ASP B 195 2.399 13.016 -17.004 1.00 14.20 C ATOM 1480 O ASP B 195 2.464 11.913 -16.461 1.00 54.32 O ATOM 1481 CB ASP B 195 4.390 14.532 -17.052 1.00 5.34 C ATOM 1482 CG ASP B 195 5.624 14.990 -17.803 1.00 72.23 C ATOM 1483 OD1 ASP B 195 5.472 15.695 -18.822 1.00 31.24 O ATOM 1484 OD2 ASP B 195 6.743 14.644 -17.370 1.00 14.41 O1- ATOM 0 H ASP B 195 3.303 15.149 -19.176 1.00 34.12 H new ATOM 0 HA ASP B 195 4.180 12.695 -18.145 1.00 65.14 H new ATOM 0 HB2 ASP B 195 3.779 15.399 -16.801 1.00 5.34 H new ATOM 0 HB3 ASP B 195 4.691 14.071 -16.111 1.00 5.34 H new ATOM 1489 N THR B 196 1.344 13.817 -16.890 1.00 1.42 N ATOM 1490 CA THR B 196 0.179 13.438 -16.101 1.00 0.03 C ATOM 1491 C THR B 196 -0.462 12.166 -16.644 1.00 60.21 C ATOM 1492 O THR B 196 -0.755 11.238 -15.892 1.00 64.41 O ATOM 1493 CB THR B 196 -0.875 14.562 -16.080 1.00 74.11 C ATOM 1494 OG1 THR B 196 -0.318 15.745 -15.496 1.00 31.54 O ATOM 1495 CG2 THR B 196 -2.106 14.134 -15.295 1.00 33.41 C ATOM 0 H THR B 196 1.273 14.732 -17.334 1.00 1.42 H new ATOM 0 HA THR B 196 0.530 13.260 -15.084 1.00 0.03 H new ATOM 0 HB THR B 196 -1.173 14.770 -17.108 1.00 74.11 H new ATOM 0 HG1 THR B 196 -0.848 16.524 -15.766 1.00 31.54 H new ATOM 0 HG21 THR B 196 -2.836 14.943 -15.294 1.00 33.41 H new ATOM 0 HG22 THR B 196 -2.544 13.250 -15.759 1.00 33.41 H new ATOM 0 HG23 THR B 196 -1.821 13.901 -14.269 1.00 33.41 H new ATOM 1503 N ASN B 197 -0.677 12.130 -17.955 1.00 72.14 N ATOM 1504 CA ASN B 197 -1.284 10.970 -18.599 1.00 55.02 C ATOM 1505 C ASN B 197 -0.344 9.770 -18.554 1.00 73.24 C ATOM 1506 O ASN B 197 -0.780 8.631 -18.375 1.00 44.55 O ATOM 1507 CB ASN B 197 -1.643 11.297 -20.049 1.00 34.43 C ATOM 1508 CG ASN B 197 -3.061 10.889 -20.400 1.00 43.22 C ATOM 1509 OD1 ASN B 197 -3.515 9.805 -20.035 1.00 75.41 O ATOM 1510 ND2 ASN B 197 -3.769 11.760 -21.110 1.00 51.21 N ATOM 0 H ASN B 197 -0.440 12.890 -18.592 1.00 72.14 H new ATOM 0 HA ASN B 197 -2.194 10.717 -18.055 1.00 55.02 H new ATOM 0 HB2 ASN B 197 -1.524 12.367 -20.217 1.00 34.43 H new ATOM 0 HB3 ASN B 197 -0.946 10.790 -20.716 1.00 34.43 H new ATOM 0 HD21 ASN B 197 -4.730 11.542 -21.374 1.00 51.21 H new ATOM 0 HD22 ASN B 197 -3.352 12.647 -21.391 1.00 51.21 H new ATOM 1517 N LEU B 198 0.949 10.031 -18.717 1.00 71.52 N ATOM 1518 CA LEU B 198 1.952 8.971 -18.694 1.00 51.53 C ATOM 1519 C LEU B 198 1.946 8.244 -17.353 1.00 42.42 C ATOM 1520 O LEU B 198 2.113 7.025 -17.295 1.00 41.34 O ATOM 1521 CB LEU B 198 3.341 9.551 -18.966 1.00 13.53 C ATOM 1522 CG LEU B 198 4.469 8.535 -19.145 1.00 55.44 C ATOM 1523 CD1 LEU B 198 5.465 9.020 -20.188 1.00 65.23 C ATOM 1524 CD2 LEU B 198 5.168 8.276 -17.817 1.00 12.10 C ATOM 0 H LEU B 198 1.327 10.966 -18.866 1.00 71.52 H new ATOM 0 HA LEU B 198 1.704 8.253 -19.476 1.00 51.53 H new ATOM 0 HB2 LEU B 198 3.287 10.166 -19.865 1.00 13.53 H new ATOM 0 HB3 LEU B 198 3.604 10.214 -18.142 1.00 13.53 H new ATOM 0 HG LEU B 198 4.036 7.598 -19.495 1.00 55.44 H new ATOM 0 HD11 LEU B 198 6.261 8.284 -20.302 1.00 65.23 H new ATOM 0 HD12 LEU B 198 4.956 9.154 -21.142 1.00 65.23 H new ATOM 0 HD13 LEU B 198 5.893 9.970 -19.868 1.00 65.23 H new ATOM 0 HD21 LEU B 198 5.968 7.550 -17.962 1.00 12.10 H new ATOM 0 HD22 LEU B 198 5.588 9.208 -17.439 1.00 12.10 H new ATOM 0 HD23 LEU B 198 4.449 7.884 -17.098 1.00 12.10 H new ATOM 1536 N LEU B 199 1.750 8.999 -16.278 1.00 70.33 N ATOM 1537 CA LEU B 199 1.719 8.426 -14.936 1.00 55.53 C ATOM 1538 C LEU B 199 0.567 7.437 -14.793 1.00 40.43 C ATOM 1539 O LEU B 199 0.753 6.318 -14.312 1.00 33.02 O ATOM 1540 CB LEU B 199 1.588 9.535 -13.891 1.00 44.32 C ATOM 1541 CG LEU B 199 1.162 9.089 -12.490 1.00 2.34 C ATOM 1542 CD1 LEU B 199 2.042 9.739 -11.434 1.00 71.11 C ATOM 1543 CD2 LEU B 199 -0.302 9.424 -12.247 1.00 44.30 C ATOM 0 H LEU B 199 1.610 10.009 -16.309 1.00 70.33 H new ATOM 0 HA LEU B 199 2.654 7.891 -14.773 1.00 55.53 H new ATOM 0 HB2 LEU B 199 2.547 10.048 -13.812 1.00 44.32 H new ATOM 0 HB3 LEU B 199 0.865 10.265 -14.254 1.00 44.32 H new ATOM 0 HG LEU B 199 1.283 8.008 -12.420 1.00 2.34 H new ATOM 0 HD11 LEU B 199 1.725 9.411 -10.444 1.00 71.11 H new ATOM 0 HD12 LEU B 199 3.080 9.450 -11.597 1.00 71.11 H new ATOM 0 HD13 LEU B 199 1.952 10.823 -11.503 1.00 71.11 H new ATOM 0 HD21 LEU B 199 -0.588 9.100 -11.246 1.00 44.30 H new ATOM 0 HD22 LEU B 199 -0.448 10.500 -12.336 1.00 44.30 H new ATOM 0 HD23 LEU B 199 -0.920 8.912 -12.985 1.00 44.30 H new ATOM 1555 N ILE B 200 -0.621 7.856 -15.214 1.00 72.54 N ATOM 1556 CA ILE B 200 -1.802 7.004 -15.136 1.00 62.35 C ATOM 1557 C ILE B 200 -1.602 5.713 -15.922 1.00 41.23 C ATOM 1558 O ILE B 200 -2.156 4.671 -15.574 1.00 62.14 O ATOM 1559 CB ILE B 200 -3.053 7.727 -15.667 1.00 11.13 C ATOM 1560 CG1 ILE B 200 -3.265 9.044 -14.918 1.00 12.14 C ATOM 1561 CG2 ILE B 200 -4.278 6.833 -15.535 1.00 14.40 C ATOM 1562 CD1 ILE B 200 -4.466 9.828 -15.400 1.00 34.41 C ATOM 0 H ILE B 200 -0.792 8.779 -15.612 1.00 72.54 H new ATOM 0 HA ILE B 200 -1.950 6.765 -14.083 1.00 62.35 H new ATOM 0 HB ILE B 200 -2.903 7.952 -16.723 1.00 11.13 H new ATOM 0 HG12 ILE B 200 -3.382 8.833 -13.855 1.00 12.14 H new ATOM 0 HG13 ILE B 200 -2.372 9.661 -15.024 1.00 12.14 H new ATOM 0 HG21 ILE B 200 -5.154 7.358 -15.915 1.00 14.40 H new ATOM 0 HG22 ILE B 200 -4.125 5.919 -16.110 1.00 14.40 H new ATOM 0 HG23 ILE B 200 -4.433 6.580 -14.486 1.00 14.40 H new ATOM 0 HD11 ILE B 200 -4.554 10.749 -14.824 1.00 34.41 H new ATOM 0 HD12 ILE B 200 -4.343 10.070 -16.456 1.00 34.41 H new ATOM 0 HD13 ILE B 200 -5.368 9.230 -15.268 1.00 34.41 H new ATOM 1574 N ASN B 201 -0.805 5.790 -16.982 1.00 24.43 N ATOM 1575 CA ASN B 201 -0.531 4.626 -17.818 1.00 62.13 C ATOM 1576 C ASN B 201 0.250 3.571 -17.041 1.00 61.31 C ATOM 1577 O ASN B 201 0.013 2.372 -17.193 1.00 54.05 O ATOM 1578 CB ASN B 201 0.253 5.041 -19.064 1.00 15.22 C ATOM 1579 CG ASN B 201 0.544 3.869 -19.983 1.00 43.23 C ATOM 1580 OD1 ASN B 201 -0.204 2.891 -20.014 1.00 51.32 O ATOM 1581 ND2 ASN B 201 1.634 3.963 -20.734 1.00 32.53 N ATOM 0 H ASN B 201 -0.338 6.645 -17.283 1.00 24.43 H new ATOM 0 HA ASN B 201 -1.485 4.196 -18.123 1.00 62.13 H new ATOM 0 HB2 ASN B 201 -0.312 5.796 -19.611 1.00 15.22 H new ATOM 0 HB3 ASN B 201 1.192 5.503 -18.761 1.00 15.22 H new ATOM 0 HD21 ASN B 201 1.882 3.205 -21.371 1.00 32.53 H new ATOM 0 HD22 ASN B 201 2.224 4.793 -20.675 1.00 32.53 H new ATOM 1588 N ALA B 202 1.180 4.024 -16.208 1.00 61.03 N ATOM 1589 CA ALA B 202 1.993 3.120 -15.405 1.00 65.21 C ATOM 1590 C ALA B 202 1.182 2.522 -14.261 1.00 61.14 C ATOM 1591 O ALA B 202 1.254 1.321 -13.995 1.00 14.24 O ATOM 1592 CB ALA B 202 3.214 3.847 -14.864 1.00 40.43 C ATOM 0 H ALA B 202 1.389 5.013 -16.071 1.00 61.03 H new ATOM 0 HA ALA B 202 2.325 2.304 -16.047 1.00 65.21 H new ATOM 0 HB1 ALA B 202 3.812 3.159 -14.266 1.00 40.43 H new ATOM 0 HB2 ALA B 202 3.813 4.220 -15.695 1.00 40.43 H new ATOM 0 HB3 ALA B 202 2.894 4.683 -14.243 1.00 40.43 H new ATOM 1598 N VAL B 203 0.409 3.366 -13.585 1.00 63.22 N ATOM 1599 CA VAL B 203 -0.417 2.920 -12.469 1.00 41.23 C ATOM 1600 C VAL B 203 -1.550 2.019 -12.948 1.00 13.40 C ATOM 1601 O VAL B 203 -1.735 0.913 -12.440 1.00 35.11 O ATOM 1602 CB VAL B 203 -1.016 4.113 -11.701 1.00 2.23 C ATOM 1603 CG1 VAL B 203 -1.562 3.663 -10.355 1.00 1.44 C ATOM 1604 CG2 VAL B 203 0.025 5.208 -11.525 1.00 41.24 C ATOM 0 H VAL B 203 0.337 4.362 -13.791 1.00 63.22 H new ATOM 0 HA VAL B 203 0.234 2.357 -11.801 1.00 41.23 H new ATOM 0 HB VAL B 203 -1.843 4.519 -12.283 1.00 2.23 H new ATOM 0 HG11 VAL B 203 -1.981 4.520 -9.827 1.00 1.44 H new ATOM 0 HG12 VAL B 203 -2.341 2.916 -10.510 1.00 1.44 H new ATOM 0 HG13 VAL B 203 -0.756 3.230 -9.762 1.00 1.44 H new ATOM 0 HG21 VAL B 203 -0.414 6.044 -10.980 1.00 41.24 H new ATOM 0 HG22 VAL B 203 0.874 4.816 -10.965 1.00 41.24 H new ATOM 0 HG23 VAL B 203 0.362 5.550 -12.503 1.00 41.24 H new ATOM 1614 N ASP B 204 -2.304 2.499 -13.930 1.00 24.25 N ATOM 1615 CA ASP B 204 -3.419 1.736 -14.481 1.00 42.23 C ATOM 1616 C ASP B 204 -2.941 0.395 -15.028 1.00 22.23 C ATOM 1617 O ASP B 204 -3.618 -0.624 -14.881 1.00 64.32 O ATOM 1618 CB ASP B 204 -4.114 2.534 -15.586 1.00 75.21 C ATOM 1619 CG ASP B 204 -5.184 1.727 -16.296 1.00 14.44 C ATOM 1620 OD1 ASP B 204 -6.033 1.128 -15.604 1.00 0.32 O ATOM 1621 OD2 ASP B 204 -5.173 1.698 -17.544 1.00 74.01 O1- ATOM 0 H ASP B 204 -2.164 3.413 -14.361 1.00 24.25 H new ATOM 0 HA ASP B 204 -4.131 1.547 -13.678 1.00 42.23 H new ATOM 0 HB2 ASP B 204 -4.563 3.429 -15.156 1.00 75.21 H new ATOM 0 HB3 ASP B 204 -3.372 2.867 -16.312 1.00 75.21 H new ATOM 1626 N LEU B 205 -1.773 0.401 -15.660 1.00 3.11 N ATOM 1627 CA LEU B 205 -1.205 -0.816 -16.231 1.00 43.51 C ATOM 1628 C LEU B 205 -0.971 -1.866 -15.150 1.00 54.35 C ATOM 1629 O LEU B 205 -1.186 -3.057 -15.371 1.00 42.15 O ATOM 1630 CB LEU B 205 0.109 -0.501 -16.946 1.00 51.21 C ATOM 1631 CG LEU B 205 0.988 -1.703 -17.296 1.00 41.43 C ATOM 1632 CD1 LEU B 205 1.345 -1.691 -18.773 1.00 54.24 C ATOM 1633 CD2 LEU B 205 2.246 -1.710 -16.440 1.00 72.11 C ATOM 0 H LEU B 205 -1.200 1.235 -15.790 1.00 3.11 H new ATOM 0 HA LEU B 205 -1.917 -1.217 -16.953 1.00 43.51 H new ATOM 0 HB2 LEU B 205 -0.121 0.036 -17.866 1.00 51.21 H new ATOM 0 HB3 LEU B 205 0.688 0.176 -16.318 1.00 51.21 H new ATOM 0 HG LEU B 205 0.426 -2.613 -17.088 1.00 41.43 H new ATOM 0 HD11 LEU B 205 1.971 -2.553 -19.003 1.00 54.24 H new ATOM 0 HD12 LEU B 205 0.433 -1.735 -19.368 1.00 54.24 H new ATOM 0 HD13 LEU B 205 1.888 -0.776 -19.009 1.00 54.24 H new ATOM 0 HD21 LEU B 205 2.860 -2.572 -16.702 1.00 72.11 H new ATOM 0 HD22 LEU B 205 2.811 -0.795 -16.616 1.00 72.11 H new ATOM 0 HD23 LEU B 205 1.969 -1.768 -15.387 1.00 72.11 H new ATOM 1645 N ASP B 206 -0.531 -1.415 -13.980 1.00 31.12 N ATOM 1646 CA ASP B 206 -0.270 -2.315 -12.863 1.00 71.14 C ATOM 1647 C ASP B 206 -1.572 -2.890 -12.313 1.00 50.22 C ATOM 1648 O ASP B 206 -1.677 -4.094 -12.073 1.00 5.15 O ATOM 1649 CB ASP B 206 0.486 -1.581 -11.754 1.00 20.43 C ATOM 1650 CG ASP B 206 1.475 -2.478 -11.036 1.00 1.31 C ATOM 1651 OD1 ASP B 206 1.107 -3.624 -10.707 1.00 30.44 O ATOM 1652 OD2 ASP B 206 2.619 -2.033 -10.805 1.00 40.42 O1- ATOM 0 H ASP B 206 -0.348 -0.432 -13.781 1.00 31.12 H new ATOM 0 HA ASP B 206 0.345 -3.138 -13.228 1.00 71.14 H new ATOM 0 HB2 ASP B 206 1.016 -0.730 -12.181 1.00 20.43 H new ATOM 0 HB3 ASP B 206 -0.228 -1.183 -11.033 1.00 20.43 H new ATOM 1657 N ILE B 207 -2.559 -2.024 -12.116 1.00 52.52 N ATOM 1658 CA ILE B 207 -3.853 -2.446 -11.595 1.00 42.34 C ATOM 1659 C ILE B 207 -4.574 -3.355 -12.584 1.00 33.14 C ATOM 1660 O ILE B 207 -5.187 -4.350 -12.197 1.00 2.52 O ATOM 1661 CB ILE B 207 -4.753 -1.237 -11.275 1.00 73.52 C ATOM 1662 CG1 ILE B 207 -4.098 -0.353 -10.213 1.00 0.34 C ATOM 1663 CG2 ILE B 207 -6.124 -1.705 -10.811 1.00 71.22 C ATOM 1664 CD1 ILE B 207 -3.965 1.096 -10.631 1.00 42.14 C ATOM 0 H ILE B 207 -2.488 -1.025 -12.309 1.00 52.52 H new ATOM 0 HA ILE B 207 -3.658 -2.997 -10.675 1.00 42.34 H new ATOM 0 HB ILE B 207 -4.880 -0.647 -12.183 1.00 73.52 H new ATOM 0 HG12 ILE B 207 -4.684 -0.406 -9.296 1.00 0.34 H new ATOM 0 HG13 ILE B 207 -3.109 -0.748 -9.982 1.00 0.34 H new ATOM 0 HG21 ILE B 207 -6.748 -0.839 -10.589 1.00 71.22 H new ATOM 0 HG22 ILE B 207 -6.592 -2.297 -11.598 1.00 71.22 H new ATOM 0 HG23 ILE B 207 -6.016 -2.314 -9.914 1.00 71.22 H new ATOM 0 HD11 ILE B 207 -3.492 1.664 -9.830 1.00 42.14 H new ATOM 0 HD12 ILE B 207 -3.353 1.160 -11.531 1.00 42.14 H new ATOM 0 HD13 ILE B 207 -4.953 1.508 -10.834 1.00 42.14 H new ATOM 1676 N LYS B 208 -4.495 -3.008 -13.864 1.00 10.30 N ATOM 1677 CA LYS B 208 -5.136 -3.793 -14.912 1.00 44.35 C ATOM 1678 C LYS B 208 -4.531 -5.191 -14.991 1.00 30.12 C ATOM 1679 O LYS B 208 -5.241 -6.174 -15.200 1.00 40.53 O ATOM 1680 CB LYS B 208 -4.999 -3.088 -16.263 1.00 12.23 C ATOM 1681 CG LYS B 208 -5.954 -3.611 -17.322 1.00 61.42 C ATOM 1682 CD LYS B 208 -6.292 -2.542 -18.346 1.00 5.32 C ATOM 1683 CE LYS B 208 -7.253 -3.064 -19.402 1.00 62.52 C ATOM 1684 NZ LYS B 208 -8.674 -2.805 -19.036 1.00 2.32 N1+ ATOM 0 H LYS B 208 -3.992 -2.187 -14.201 1.00 10.30 H new ATOM 0 HA LYS B 208 -6.194 -3.887 -14.665 1.00 44.35 H new ATOM 0 HB2 LYS B 208 -5.172 -2.021 -16.125 1.00 12.23 H new ATOM 0 HB3 LYS B 208 -3.976 -3.202 -16.621 1.00 12.23 H new ATOM 0 HG2 LYS B 208 -5.507 -4.469 -17.824 1.00 61.42 H new ATOM 0 HG3 LYS B 208 -6.869 -3.962 -16.846 1.00 61.42 H new ATOM 0 HD2 LYS B 208 -6.735 -1.682 -17.843 1.00 5.32 H new ATOM 0 HD3 LYS B 208 -5.377 -2.194 -18.826 1.00 5.32 H new ATOM 0 HE2 LYS B 208 -7.033 -2.591 -20.359 1.00 62.52 H new ATOM 0 HE3 LYS B 208 -7.101 -4.135 -19.533 1.00 62.52 H new ATOM 0 HZ1 LYS B 208 -9.298 -3.176 -19.781 1.00 2.32 H new ATOM 0 HZ2 LYS B 208 -8.892 -3.277 -18.135 1.00 2.32 H new ATOM 0 HZ3 LYS B 208 -8.826 -1.781 -18.936 1.00 2.32 H new ATOM 1698 N ASN B 209 -3.216 -5.272 -14.823 1.00 55.42 N ATOM 1699 CA ASN B 209 -2.514 -6.549 -14.875 1.00 23.42 C ATOM 1700 C ASN B 209 -2.965 -7.464 -13.740 1.00 25.20 C ATOM 1701 O ASN B 209 -3.045 -8.680 -13.904 1.00 23.23 O ATOM 1702 CB ASN B 209 -1.003 -6.329 -14.799 1.00 72.42 C ATOM 1703 CG ASN B 209 -0.231 -7.634 -14.719 1.00 24.35 C ATOM 1704 OD1 ASN B 209 0.132 -8.087 -13.635 1.00 73.13 O ATOM 1705 ND2 ASN B 209 0.020 -8.242 -15.873 1.00 23.41 N ATOM 0 H ASN B 209 -2.614 -4.467 -14.649 1.00 55.42 H new ATOM 0 HA ASN B 209 -2.756 -7.029 -15.823 1.00 23.42 H new ATOM 0 HB2 ASN B 209 -0.676 -5.770 -15.675 1.00 72.42 H new ATOM 0 HB3 ASN B 209 -0.771 -5.719 -13.926 1.00 72.42 H new ATOM 0 HD21 ASN B 209 0.534 -9.123 -15.884 1.00 23.41 H new ATOM 0 HD22 ASN B 209 -0.301 -7.828 -16.748 1.00 23.41 H new