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= -0.246 K(o=-0.25,f=-2.4!) USER MOD Set 1.2: B 196 THR OG1 : rot 120:sc=-0.00689 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 55:sc= -0.501 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -155:sc=-0.00292 (180deg=-0.295) USER MOD Single : A 15 ASN : amide:sc= -0.0564 X(o=-0.056,f=-0.14) USER MOD Single : A 20 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.76) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0791 K(o=-0.079,f=-1) USER MOD Single : A 38 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.062) 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=-0.017) USER MOD Single : B 181 ASN : amide:sc=-0.00546 X(o=-0.0055,f=0) USER MOD Single : B 182 THR OG1 : rot 57:sc= 0.37 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= -0.361 X(o=-0.36,f=-0.14) USER MOD Single : B 197 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : B 201 ASN : amide:sc= -0.0776 X(o=-0.078,f=-0.55) USER MOD Single : B 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 1.525 -1.773 -6.634 1.00 44.41 N ATOM 89 CA LEU A 7 1.875 -0.499 -7.250 1.00 14.51 C ATOM 90 C LEU A 7 3.220 0.005 -6.737 1.00 3.23 C ATOM 91 O LEU A 7 3.420 1.205 -6.561 1.00 75.03 O ATOM 92 CB LEU A 7 0.789 0.541 -6.969 1.00 31.04 C ATOM 93 CG LEU A 7 -0.472 0.444 -7.828 1.00 15.10 C ATOM 94 CD1 LEU A 7 -1.566 1.345 -7.276 1.00 11.23 C ATOM 95 CD2 LEU A 7 -0.162 0.805 -9.273 1.00 42.13 C ATOM 0 HA LEU A 7 1.953 -0.655 -8.326 1.00 14.51 H new ATOM 0 HB2 LEU A 7 0.498 0.459 -5.922 1.00 31.04 H new ATOM 0 HB3 LEU A 7 1.221 1.533 -7.103 1.00 31.04 H new ATOM 0 HG LEU A 7 -0.829 -0.586 -7.799 1.00 15.10 H new ATOM 0 HD11 LEU A 7 -2.455 1.262 -7.901 1.00 11.23 H new ATOM 0 HD12 LEU A 7 -1.808 1.041 -6.258 1.00 11.23 H new ATOM 0 HD13 LEU A 7 -1.219 2.378 -7.273 1.00 11.23 H new ATOM 0 HD21 LEU A 7 -1.071 0.730 -9.870 1.00 42.13 H new ATOM 0 HD22 LEU A 7 0.220 1.825 -9.319 1.00 42.13 H new ATOM 0 HD23 LEU A 7 0.588 0.119 -9.667 1.00 42.13 H new ATOM 107 N ASN A 8 4.142 -0.924 -6.502 1.00 3.32 N ATOM 108 CA ASN A 8 5.470 -0.575 -6.010 1.00 21.02 C ATOM 109 C ASN A 8 6.194 0.334 -6.999 1.00 45.32 C ATOM 110 O ASN A 8 6.709 1.388 -6.627 1.00 64.42 O ATOM 111 CB ASN A 8 6.295 -1.840 -5.765 1.00 41.23 C ATOM 112 CG ASN A 8 7.328 -1.654 -4.670 1.00 72.22 C ATOM 113 OD1 ASN A 8 8.207 -0.798 -4.770 1.00 43.12 O ATOM 114 ND2 ASN A 8 7.225 -2.457 -3.617 1.00 65.32 N ATOM 0 H ASN A 8 3.994 -1.923 -6.644 1.00 3.32 H new ATOM 0 HA ASN A 8 5.352 -0.038 -5.069 1.00 21.02 H new ATOM 0 HB2 ASN A 8 5.628 -2.659 -5.496 1.00 41.23 H new ATOM 0 HB3 ASN A 8 6.797 -2.128 -6.689 1.00 41.23 H new ATOM 0 HD21 ASN A 8 7.891 -2.378 -2.848 1.00 65.32 H new ATOM 0 HD22 ASN A 8 6.480 -3.152 -3.577 1.00 65.32 H new ATOM 121 N ASN A 9 6.230 -0.082 -8.261 1.00 31.34 N ATOM 122 CA ASN A 9 6.890 0.693 -9.304 1.00 55.21 C ATOM 123 C ASN A 9 6.199 2.039 -9.500 1.00 50.45 C ATOM 124 O ASN A 9 6.843 3.041 -9.816 1.00 12.01 O ATOM 125 CB ASN A 9 6.898 -0.085 -10.620 1.00 4.51 C ATOM 126 CG ASN A 9 7.688 -1.376 -10.524 1.00 5.53 C ATOM 127 OD1 ASN A 9 8.906 -1.387 -10.706 1.00 72.13 O ATOM 128 ND2 ASN A 9 6.997 -2.472 -10.235 1.00 63.31 N ATOM 0 H ASN A 9 5.809 -0.953 -8.586 1.00 31.34 H new ATOM 0 HA ASN A 9 7.918 0.874 -8.992 1.00 55.21 H new ATOM 0 HB2 ASN A 9 5.872 -0.311 -10.912 1.00 4.51 H new ATOM 0 HB3 ASN A 9 7.323 0.540 -11.406 1.00 4.51 H new ATOM 0 HD21 ASN A 9 7.474 -3.370 -10.156 1.00 63.31 H new ATOM 0 HD22 ASN A 9 5.989 -2.416 -10.092 1.00 63.31 H new ATOM 135 N THR A 10 4.884 2.056 -9.312 1.00 52.01 N ATOM 136 CA THR A 10 4.105 3.278 -9.469 1.00 33.05 C ATOM 137 C THR A 10 4.539 4.340 -8.465 1.00 33.43 C ATOM 138 O THR A 10 4.675 5.514 -8.807 1.00 55.21 O ATOM 139 CB THR A 10 2.597 3.009 -9.295 1.00 40.52 C ATOM 140 OG1 THR A 10 2.117 2.202 -10.377 1.00 35.14 O ATOM 141 CG2 THR A 10 1.818 4.315 -9.244 1.00 41.14 C ATOM 0 H THR A 10 4.335 1.237 -9.051 1.00 52.01 H new ATOM 0 HA THR A 10 4.288 3.642 -10.480 1.00 33.05 H new ATOM 0 HB THR A 10 2.449 2.480 -8.354 1.00 40.52 H new ATOM 0 HG1 THR A 10 2.651 1.383 -10.436 1.00 35.14 H new ATOM 0 HG21 THR A 10 0.756 4.101 -9.121 1.00 41.14 H new ATOM 0 HG22 THR A 10 2.167 4.914 -8.403 1.00 41.14 H new ATOM 0 HG23 THR A 10 1.972 4.867 -10.171 1.00 41.14 H new ATOM 149 N LYS A 11 4.755 3.920 -7.223 1.00 34.55 N ATOM 150 CA LYS A 11 5.176 4.834 -6.168 1.00 13.01 C ATOM 151 C LYS A 11 6.446 5.578 -6.568 1.00 34.04 C ATOM 152 O LYS A 11 6.618 6.754 -6.243 1.00 72.43 O ATOM 153 CB LYS A 11 5.410 4.068 -4.864 1.00 61.11 C ATOM 154 CG LYS A 11 5.828 4.955 -3.704 1.00 23.24 C ATOM 155 CD LYS A 11 6.877 4.279 -2.836 1.00 33.30 C ATOM 156 CE LYS A 11 6.874 4.839 -1.422 1.00 3.51 C ATOM 157 NZ LYS A 11 6.258 3.892 -0.452 1.00 73.32 N1+ ATOM 0 H LYS A 11 4.645 2.952 -6.922 1.00 34.55 H new ATOM 0 HA LYS A 11 4.381 5.564 -6.015 1.00 13.01 H new ATOM 0 HB2 LYS A 11 4.496 3.538 -4.595 1.00 61.11 H new ATOM 0 HB3 LYS A 11 6.179 3.313 -5.029 1.00 61.11 H new ATOM 0 HG2 LYS A 11 6.223 5.896 -4.088 1.00 23.24 H new ATOM 0 HG3 LYS A 11 4.955 5.199 -3.098 1.00 23.24 H new ATOM 0 HD2 LYS A 11 6.688 3.206 -2.804 1.00 33.30 H new ATOM 0 HD3 LYS A 11 7.863 4.416 -3.281 1.00 33.30 H new ATOM 0 HE2 LYS A 11 7.897 5.058 -1.116 1.00 3.51 H new ATOM 0 HE3 LYS A 11 6.328 5.782 -1.406 1.00 3.51 H new ATOM 0 HZ1 LYS A 11 6.275 4.310 0.500 1.00 73.32 H new ATOM 0 HZ2 LYS A 11 5.274 3.702 -0.729 1.00 73.32 H new ATOM 0 HZ3 LYS A 11 6.794 3.001 -0.448 1.00 73.32 H new ATOM 171 N LYS A 12 7.333 4.887 -7.274 1.00 54.01 N ATOM 172 CA LYS A 12 8.586 5.483 -7.721 1.00 44.41 C ATOM 173 C LYS A 12 8.342 6.490 -8.840 1.00 53.30 C ATOM 174 O LYS A 12 9.067 7.477 -8.970 1.00 10.31 O ATOM 175 CB LYS A 12 9.549 4.395 -8.203 1.00 24.32 C ATOM 176 CG LYS A 12 11.014 4.778 -8.077 1.00 75.12 C ATOM 177 CD LYS A 12 11.833 4.238 -9.237 1.00 52.04 C ATOM 178 CE LYS A 12 11.621 5.059 -10.499 1.00 73.44 C ATOM 179 NZ LYS A 12 10.837 4.312 -11.522 1.00 42.41 N1+ ATOM 0 H LYS A 12 7.208 3.913 -7.549 1.00 54.01 H new ATOM 0 HA LYS A 12 9.031 6.007 -6.875 1.00 44.41 H new ATOM 0 HB2 LYS A 12 9.370 3.484 -7.631 1.00 24.32 H new ATOM 0 HB3 LYS A 12 9.331 4.165 -9.246 1.00 24.32 H new ATOM 0 HG2 LYS A 12 11.105 5.864 -8.040 1.00 75.12 H new ATOM 0 HG3 LYS A 12 11.412 4.393 -7.139 1.00 75.12 H new ATOM 0 HD2 LYS A 12 12.890 4.244 -8.971 1.00 52.04 H new ATOM 0 HD3 LYS A 12 11.558 3.200 -9.426 1.00 52.04 H new ATOM 0 HE2 LYS A 12 11.102 5.984 -10.248 1.00 73.44 H new ATOM 0 HE3 LYS A 12 12.588 5.340 -10.916 1.00 73.44 H new ATOM 0 HZ1 LYS A 12 11.060 4.681 -12.468 1.00 42.41 H new ATOM 0 HZ2 LYS A 12 11.082 3.302 -11.478 1.00 42.41 H new ATOM 0 HZ3 LYS A 12 9.821 4.430 -11.335 1.00 42.41 H new ATOM 193 N VAL A 13 7.314 6.238 -9.644 1.00 1.45 N ATOM 194 CA VAL A 13 6.973 7.124 -10.749 1.00 75.34 C ATOM 195 C VAL A 13 6.457 8.465 -10.239 1.00 15.10 C ATOM 196 O VAL A 13 6.819 9.520 -10.760 1.00 11.50 O ATOM 197 CB VAL A 13 5.909 6.494 -11.667 1.00 65.42 C ATOM 198 CG1 VAL A 13 5.649 7.382 -12.874 1.00 72.24 C ATOM 199 CG2 VAL A 13 6.339 5.101 -12.102 1.00 70.24 C ATOM 0 H VAL A 13 6.703 5.427 -9.550 1.00 1.45 H new ATOM 0 HA VAL A 13 7.888 7.282 -11.320 1.00 75.34 H new ATOM 0 HB VAL A 13 4.978 6.404 -11.106 1.00 65.42 H new ATOM 0 HG11 VAL A 13 4.894 6.919 -13.510 1.00 72.24 H new ATOM 0 HG12 VAL A 13 5.293 8.356 -12.539 1.00 72.24 H new ATOM 0 HG13 VAL A 13 6.573 7.507 -13.439 1.00 72.24 H new ATOM 0 HG21 VAL A 13 5.576 4.670 -12.750 1.00 70.24 H new ATOM 0 HG22 VAL A 13 7.282 5.164 -12.645 1.00 70.24 H new ATOM 0 HG23 VAL A 13 6.468 4.469 -11.223 1.00 70.24 H new ATOM 209 N ALA A 14 5.610 8.417 -9.216 1.00 73.12 N ATOM 210 CA ALA A 14 5.046 9.628 -8.633 1.00 44.40 C ATOM 211 C ALA A 14 6.101 10.403 -7.851 1.00 10.22 C ATOM 212 O ALA A 14 6.123 11.633 -7.870 1.00 65.54 O ATOM 213 CB ALA A 14 3.868 9.283 -7.734 1.00 65.23 C ATOM 0 H ALA A 14 5.299 7.552 -8.774 1.00 73.12 H new ATOM 0 HA ALA A 14 4.694 10.263 -9.446 1.00 44.40 H new ATOM 0 HB1 ALA A 14 3.457 10.197 -7.306 1.00 65.23 H new ATOM 0 HB2 ALA A 14 3.099 8.779 -8.319 1.00 65.23 H new ATOM 0 HB3 ALA A 14 4.203 8.625 -6.932 1.00 65.23 H new ATOM 219 N ASN A 15 6.974 9.675 -7.163 1.00 12.33 N ATOM 220 CA ASN A 15 8.032 10.295 -6.372 1.00 24.21 C ATOM 221 C ASN A 15 8.951 11.133 -7.255 1.00 2.24 C ATOM 222 O ASN A 15 9.604 12.062 -6.783 1.00 21.13 O ATOM 223 CB ASN A 15 8.844 9.224 -5.640 1.00 13.31 C ATOM 224 CG ASN A 15 10.183 9.746 -5.155 1.00 72.21 C ATOM 225 OD1 ASN A 15 11.197 9.617 -5.841 1.00 0.14 O ATOM 226 ND2 ASN A 15 10.192 10.340 -3.967 1.00 62.34 N ATOM 0 H ASN A 15 6.970 8.655 -7.137 1.00 12.33 H new ATOM 0 HA ASN A 15 7.566 10.952 -5.638 1.00 24.21 H new ATOM 0 HB2 ASN A 15 8.271 8.855 -4.789 1.00 13.31 H new ATOM 0 HB3 ASN A 15 9.007 8.377 -6.306 1.00 13.31 H new ATOM 0 HD21 ASN A 15 11.064 10.711 -3.589 1.00 62.34 H new ATOM 0 HD22 ASN A 15 9.327 10.425 -3.433 1.00 62.34 H new ATOM 233 N ALA A 16 8.996 10.796 -8.540 1.00 43.41 N ATOM 234 CA ALA A 16 9.833 11.518 -9.490 1.00 73.12 C ATOM 235 C ALA A 16 9.425 12.985 -9.577 1.00 72.30 C ATOM 236 O ALA A 16 10.272 13.868 -9.713 1.00 20.04 O ATOM 237 CB ALA A 16 9.758 10.865 -10.863 1.00 21.14 C ATOM 0 H ALA A 16 8.463 10.028 -8.947 1.00 43.41 H new ATOM 0 HA ALA A 16 10.863 11.475 -9.135 1.00 73.12 H new ATOM 0 HB1 ALA A 16 10.388 11.415 -11.562 1.00 21.14 H new ATOM 0 HB2 ALA A 16 10.105 9.834 -10.795 1.00 21.14 H new ATOM 0 HB3 ALA A 16 8.727 10.878 -11.216 1.00 21.14 H new ATOM 243 N PHE A 17 8.122 13.237 -9.499 1.00 11.35 N ATOM 244 CA PHE A 17 7.602 14.597 -9.570 1.00 74.12 C ATOM 245 C PHE A 17 8.243 15.482 -8.505 1.00 51.31 C ATOM 246 O PHE A 17 8.324 16.700 -8.659 1.00 44.14 O ATOM 247 CB PHE A 17 6.081 14.594 -9.400 1.00 15.44 C ATOM 248 CG PHE A 17 5.354 13.913 -10.523 1.00 70.32 C ATOM 249 CD1 PHE A 17 5.728 14.127 -11.839 1.00 50.22 C ATOM 250 CD2 PHE A 17 4.294 13.058 -10.263 1.00 15.13 C ATOM 251 CE1 PHE A 17 5.061 13.502 -12.876 1.00 41.31 C ATOM 252 CE2 PHE A 17 3.623 12.430 -11.295 1.00 1.52 C ATOM 253 CZ PHE A 17 4.006 12.653 -12.603 1.00 22.24 C ATOM 0 H PHE A 17 7.408 12.517 -9.387 1.00 11.35 H new ATOM 0 HA PHE A 17 7.850 15.003 -10.551 1.00 74.12 H new ATOM 0 HB2 PHE A 17 5.829 14.099 -8.462 1.00 15.44 H new ATOM 0 HB3 PHE A 17 5.730 15.623 -9.322 1.00 15.44 H new ATOM 0 HD1 PHE A 17 6.551 14.791 -12.058 1.00 50.22 H new ATOM 0 HD2 PHE A 17 3.989 12.881 -9.242 1.00 15.13 H new ATOM 0 HE1 PHE A 17 5.364 13.677 -13.898 1.00 41.31 H new ATOM 0 HE2 PHE A 17 2.800 11.765 -11.079 1.00 1.52 H new ATOM 0 HZ PHE A 17 3.482 12.165 -13.411 1.00 22.24 H new ATOM 263 N GLY A 18 8.696 14.859 -7.421 1.00 61.43 N ATOM 264 CA GLY A 18 9.323 15.604 -6.345 1.00 0.33 C ATOM 265 C GLY A 18 8.312 16.192 -5.381 1.00 54.33 C ATOM 266 O GLY A 18 7.780 17.279 -5.614 1.00 2.23 O ATOM 0 H GLY A 18 8.640 13.852 -7.269 1.00 61.43 H new ATOM 0 HA2 GLY A 18 10.001 14.947 -5.800 1.00 0.33 H new ATOM 0 HA3 GLY A 18 9.927 16.407 -6.767 1.00 0.33 H new ATOM 270 N LEU A 19 8.043 15.473 -4.297 1.00 34.53 N ATOM 271 CA LEU A 19 7.086 15.929 -3.294 1.00 51.13 C ATOM 272 C LEU A 19 7.645 15.747 -1.886 1.00 73.23 C ATOM 273 O LEU A 19 8.051 16.712 -1.240 1.00 20.42 O ATOM 274 CB LEU A 19 5.768 15.167 -3.435 1.00 74.30 C ATOM 275 CG LEU A 19 4.725 15.794 -4.362 1.00 53.10 C ATOM 276 CD1 LEU A 19 4.347 17.185 -3.877 1.00 1.51 C ATOM 277 CD2 LEU A 19 5.245 15.848 -5.790 1.00 44.31 C ATOM 0 H LEU A 19 8.474 14.572 -4.090 1.00 34.53 H new ATOM 0 HA LEU A 19 6.903 16.991 -3.458 1.00 51.13 H new ATOM 0 HB2 LEU A 19 5.989 14.163 -3.797 1.00 74.30 H new ATOM 0 HB3 LEU A 19 5.326 15.059 -2.444 1.00 74.30 H new ATOM 0 HG LEU A 19 3.831 15.171 -4.346 1.00 53.10 H new ATOM 0 HD11 LEU A 19 3.604 17.615 -4.549 1.00 1.51 H new ATOM 0 HD12 LEU A 19 3.932 17.119 -2.871 1.00 1.51 H new ATOM 0 HD13 LEU A 19 5.234 17.819 -3.863 1.00 1.51 H new ATOM 0 HD21 LEU A 19 4.490 16.297 -6.435 1.00 44.31 H new ATOM 0 HD22 LEU A 19 6.154 16.448 -5.824 1.00 44.31 H new ATOM 0 HD23 LEU A 19 5.464 14.838 -6.136 1.00 44.31 H new ATOM 289 N ASN A 20 7.663 14.503 -1.419 1.00 40.01 N ATOM 290 CA ASN A 20 8.173 14.194 -0.088 1.00 55.52 C ATOM 291 C ASN A 20 8.086 12.698 0.194 1.00 63.51 C ATOM 292 O ASN A 20 9.095 11.994 0.178 1.00 62.20 O ATOM 293 CB ASN A 20 7.391 14.971 0.973 1.00 45.50 C ATOM 294 CG ASN A 20 8.205 16.097 1.581 1.00 52.25 C ATOM 295 OD1 ASN A 20 9.376 15.921 1.918 1.00 23.44 O ATOM 296 ND2 ASN A 20 7.586 17.264 1.723 1.00 44.22 N ATOM 0 H ASN A 20 7.331 13.693 -1.942 1.00 40.01 H new ATOM 0 HA ASN A 20 9.221 14.492 -0.049 1.00 55.52 H new ATOM 0 HB2 ASN A 20 6.486 15.381 0.526 1.00 45.50 H new ATOM 0 HB3 ASN A 20 7.076 14.287 1.761 1.00 45.50 H new ATOM 0 HD21 ASN A 20 8.083 18.059 2.125 1.00 44.22 H new ATOM 0 HD22 ASN A 20 6.614 17.365 1.430 1.00 44.22 H new ATOM 303 N GLU A 21 6.872 12.219 0.450 1.00 22.12 N ATOM 304 CA GLU A 21 6.654 10.806 0.736 1.00 71.32 C ATOM 305 C GLU A 21 5.167 10.511 0.917 1.00 44.34 C ATOM 306 O GLU A 21 4.653 9.522 0.395 1.00 5.14 O ATOM 307 CB GLU A 21 7.424 10.392 1.992 1.00 60.54 C ATOM 308 CG GLU A 21 8.474 9.325 1.737 1.00 3.43 C ATOM 309 CD GLU A 21 7.902 7.921 1.772 1.00 13.25 C ATOM 310 OE1 GLU A 21 6.663 7.788 1.848 1.00 23.14 O1- ATOM 311 OE2 GLU A 21 8.693 6.956 1.723 1.00 10.14 O ATOM 0 H GLU A 21 6.026 12.788 0.465 1.00 22.12 H new ATOM 0 HA GLU A 21 7.021 10.229 -0.113 1.00 71.32 H new ATOM 0 HB2 GLU A 21 7.907 11.271 2.418 1.00 60.54 H new ATOM 0 HB3 GLU A 21 6.718 10.024 2.736 1.00 60.54 H new ATOM 0 HG2 GLU A 21 8.936 9.501 0.766 1.00 3.43 H new ATOM 0 HG3 GLU A 21 9.262 9.411 2.485 1.00 3.43 H new ATOM 318 N GLU A 22 4.485 11.376 1.659 1.00 71.53 N ATOM 319 CA GLU A 22 3.058 11.207 1.910 1.00 60.33 C ATOM 320 C GLU A 22 2.247 11.481 0.645 1.00 12.02 C ATOM 321 O GLU A 22 1.268 10.791 0.362 1.00 35.31 O ATOM 322 CB GLU A 22 2.601 12.140 3.033 1.00 71.50 C ATOM 323 CG GLU A 22 2.397 11.435 4.364 1.00 43.14 C ATOM 324 CD GLU A 22 1.039 11.722 4.975 1.00 44.14 C ATOM 325 OE1 GLU A 22 0.705 12.913 5.143 1.00 25.13 O ATOM 326 OE2 GLU A 22 0.311 10.756 5.283 1.00 60.42 O1- ATOM 0 H GLU A 22 4.896 12.200 2.097 1.00 71.53 H new ATOM 0 HA GLU A 22 2.888 10.174 2.214 1.00 60.33 H new ATOM 0 HB2 GLU A 22 3.340 12.931 3.160 1.00 71.50 H new ATOM 0 HB3 GLU A 22 1.668 12.620 2.738 1.00 71.50 H new ATOM 0 HG2 GLU A 22 2.507 10.360 4.222 1.00 43.14 H new ATOM 0 HG3 GLU A 22 3.177 11.746 5.059 1.00 43.14 H new ATOM 333 N ASP A 23 2.663 12.492 -0.109 1.00 52.41 N ATOM 334 CA ASP A 23 1.977 12.857 -1.343 1.00 35.13 C ATOM 335 C ASP A 23 1.975 11.694 -2.329 1.00 13.10 C ATOM 336 O ASP A 23 1.012 11.494 -3.069 1.00 71.34 O ATOM 337 CB ASP A 23 2.642 14.080 -1.979 1.00 0.32 C ATOM 338 CG ASP A 23 2.104 15.385 -1.427 1.00 22.34 C ATOM 339 OD1 ASP A 23 2.172 15.581 -0.195 1.00 11.04 O ATOM 340 OD2 ASP A 23 1.615 16.210 -2.225 1.00 51.12 O1- ATOM 0 H ASP A 23 3.471 13.073 0.112 1.00 52.41 H new ATOM 0 HA ASP A 23 0.944 13.102 -1.096 1.00 35.13 H new ATOM 0 HB2 ASP A 23 3.718 14.034 -1.810 1.00 0.32 H new ATOM 0 HB3 ASP A 23 2.487 14.054 -3.058 1.00 0.32 H new ATOM 345 N THR A 24 3.061 10.928 -2.335 1.00 23.12 N ATOM 346 CA THR A 24 3.187 9.785 -3.231 1.00 72.21 C ATOM 347 C THR A 24 2.191 8.689 -2.867 1.00 33.12 C ATOM 348 O THR A 24 1.490 8.163 -3.730 1.00 52.12 O ATOM 349 CB THR A 24 4.611 9.199 -3.199 1.00 54.13 C ATOM 350 OG1 THR A 24 5.556 10.191 -3.616 1.00 4.33 O ATOM 351 CG2 THR A 24 4.715 7.981 -4.104 1.00 22.44 C ATOM 0 H THR A 24 3.867 11.079 -1.729 1.00 23.12 H new ATOM 0 HA THR A 24 2.974 10.148 -4.237 1.00 72.21 H new ATOM 0 HB THR A 24 4.832 8.892 -2.177 1.00 54.13 H new ATOM 0 HG1 THR A 24 6.460 9.813 -3.592 1.00 4.33 H new ATOM 0 HG21 THR A 24 5.730 7.584 -4.065 1.00 22.44 H new ATOM 0 HG22 THR A 24 4.014 7.217 -3.768 1.00 22.44 H new ATOM 0 HG23 THR A 24 4.476 8.267 -5.128 1.00 22.44 H new ATOM 359 N ASN A 25 2.134 8.351 -1.583 1.00 30.11 N ATOM 360 CA ASN A 25 1.223 7.317 -1.106 1.00 23.44 C ATOM 361 C ASN A 25 -0.229 7.776 -1.218 1.00 43.45 C ATOM 362 O ASN A 25 -1.117 6.988 -1.546 1.00 40.40 O ATOM 363 CB ASN A 25 1.544 6.956 0.346 1.00 14.11 C ATOM 364 CG ASN A 25 0.562 5.954 0.923 1.00 2.33 C ATOM 365 OD1 ASN A 25 -0.337 6.316 1.682 1.00 71.01 O ATOM 366 ND2 ASN A 25 0.733 4.687 0.566 1.00 4.54 N ATOM 0 H ASN A 25 2.707 8.777 -0.855 1.00 30.11 H new ATOM 0 HA ASN A 25 1.356 6.434 -1.732 1.00 23.44 H new ATOM 0 HB2 ASN A 25 2.552 6.546 0.401 1.00 14.11 H new ATOM 0 HB3 ASN A 25 1.535 7.861 0.953 1.00 14.11 H new ATOM 0 HD21 ASN A 25 0.105 3.967 0.924 1.00 4.54 H new ATOM 0 HD22 ASN A 25 1.492 4.433 -0.066 1.00 4.54 H new ATOM 373 N LEU A 26 -0.462 9.055 -0.945 1.00 4.51 N ATOM 374 CA LEU A 26 -1.805 9.620 -1.016 1.00 3.40 C ATOM 375 C LEU A 26 -2.342 9.567 -2.443 1.00 10.42 C ATOM 376 O LEU A 26 -3.527 9.311 -2.662 1.00 21.10 O ATOM 377 CB LEU A 26 -1.798 11.065 -0.515 1.00 22.04 C ATOM 378 CG LEU A 26 -3.117 11.581 0.063 1.00 44.23 C ATOM 379 CD1 LEU A 26 -2.925 12.047 1.497 1.00 54.14 C ATOM 380 CD2 LEU A 26 -3.671 12.708 -0.798 1.00 4.53 C ATOM 0 H LEU A 26 0.261 9.720 -0.672 1.00 4.51 H new ATOM 0 HA LEU A 26 -2.458 9.024 -0.379 1.00 3.40 H new ATOM 0 HB2 LEU A 26 -1.027 11.160 0.250 1.00 22.04 H new ATOM 0 HB3 LEU A 26 -1.508 11.714 -1.342 1.00 22.04 H new ATOM 0 HG LEU A 26 -3.837 10.763 0.063 1.00 44.23 H new ATOM 0 HD11 LEU A 26 -3.874 12.411 1.892 1.00 54.14 H new ATOM 0 HD12 LEU A 26 -2.574 11.214 2.106 1.00 54.14 H new ATOM 0 HD13 LEU A 26 -2.189 12.851 1.523 1.00 54.14 H new ATOM 0 HD21 LEU A 26 -4.609 13.063 -0.372 1.00 4.53 H new ATOM 0 HD22 LEU A 26 -2.954 13.528 -0.830 1.00 4.53 H new ATOM 0 HD23 LEU A 26 -3.847 12.341 -1.809 1.00 4.53 H new ATOM 392 N LEU A 27 -1.464 9.809 -3.410 1.00 10.43 N ATOM 393 CA LEU A 27 -1.850 9.787 -4.817 1.00 22.15 C ATOM 394 C LEU A 27 -2.340 8.401 -5.225 1.00 14.33 C ATOM 395 O LEU A 27 -3.396 8.264 -5.843 1.00 24.10 O ATOM 396 CB LEU A 27 -0.669 10.202 -5.696 1.00 54.24 C ATOM 397 CG LEU A 27 -0.799 9.887 -7.187 1.00 31.25 C ATOM 398 CD1 LEU A 27 -0.437 11.105 -8.023 1.00 44.11 C ATOM 399 CD2 LEU A 27 0.080 8.702 -7.558 1.00 61.44 C ATOM 0 H LEU A 27 -0.480 10.023 -3.246 1.00 10.43 H new ATOM 0 HA LEU A 27 -2.666 10.496 -4.956 1.00 22.15 H new ATOM 0 HB2 LEU A 27 -0.518 11.276 -5.584 1.00 54.24 H new ATOM 0 HB3 LEU A 27 0.229 9.713 -5.319 1.00 54.24 H new ATOM 0 HG LEU A 27 -1.836 9.625 -7.396 1.00 31.25 H new ATOM 0 HD11 LEU A 27 -0.535 10.862 -9.081 1.00 44.11 H new ATOM 0 HD12 LEU A 27 -1.107 11.928 -7.776 1.00 44.11 H new ATOM 0 HD13 LEU A 27 0.591 11.399 -7.812 1.00 44.11 H new ATOM 0 HD21 LEU A 27 -0.024 8.491 -8.622 1.00 61.44 H new ATOM 0 HD22 LEU A 27 1.121 8.937 -7.335 1.00 61.44 H new ATOM 0 HD23 LEU A 27 -0.226 7.828 -6.983 1.00 61.44 H new ATOM 411 N ILE A 28 -1.567 7.379 -4.874 1.00 30.24 N ATOM 412 CA ILE A 28 -1.925 6.005 -5.201 1.00 20.21 C ATOM 413 C ILE A 28 -3.280 5.633 -4.609 1.00 60.11 C ATOM 414 O ILE A 28 -4.011 4.817 -5.169 1.00 50.15 O ATOM 415 CB ILE A 28 -0.865 5.010 -4.691 1.00 51.43 C ATOM 416 CG1 ILE A 28 0.500 5.327 -5.306 1.00 70.32 C ATOM 417 CG2 ILE A 28 -1.279 3.582 -5.014 1.00 33.22 C ATOM 418 CD1 ILE A 28 1.612 4.435 -4.800 1.00 64.13 C ATOM 0 H ILE A 28 -0.689 7.477 -4.364 1.00 30.24 H new ATOM 0 HA ILE A 28 -1.977 5.944 -6.288 1.00 20.21 H new ATOM 0 HB ILE A 28 -0.787 5.108 -3.608 1.00 51.43 H new ATOM 0 HG12 ILE A 28 0.433 5.231 -6.390 1.00 70.32 H new ATOM 0 HG13 ILE A 28 0.753 6.366 -5.093 1.00 70.32 H new ATOM 0 HG21 ILE A 28 -0.520 2.891 -4.647 1.00 33.22 H new ATOM 0 HG22 ILE A 28 -2.232 3.362 -4.533 1.00 33.22 H new ATOM 0 HG23 ILE A 28 -1.382 3.468 -6.093 1.00 33.22 H new ATOM 0 HD11 ILE A 28 2.550 4.716 -5.278 1.00 64.13 H new ATOM 0 HD12 ILE A 28 1.707 4.549 -3.720 1.00 64.13 H new ATOM 0 HD13 ILE A 28 1.381 3.396 -5.037 1.00 64.13 H new ATOM 430 N ASN A 29 -3.610 6.240 -3.473 1.00 42.21 N ATOM 431 CA ASN A 29 -4.879 5.973 -2.805 1.00 71.03 C ATOM 432 C ASN A 29 -6.052 6.446 -3.659 1.00 24.22 C ATOM 433 O ASN A 29 -7.096 5.797 -3.710 1.00 23.34 O ATOM 434 CB ASN A 29 -4.915 6.664 -1.441 1.00 33.42 C ATOM 435 CG ASN A 29 -6.115 6.245 -0.613 1.00 12.23 C ATOM 436 OD1 ASN A 29 -6.939 5.446 -1.055 1.00 31.42 O ATOM 437 ND2 ASN A 29 -6.215 6.785 0.597 1.00 60.12 N ATOM 0 H ASN A 29 -3.017 6.919 -2.996 1.00 42.21 H new ATOM 0 HA ASN A 29 -4.968 4.896 -2.662 1.00 71.03 H new ATOM 0 HB2 ASN A 29 -4.001 6.432 -0.895 1.00 33.42 H new ATOM 0 HB3 ASN A 29 -4.935 7.744 -1.584 1.00 33.42 H new ATOM 0 HD21 ASN A 29 -7.000 6.541 1.201 1.00 60.12 H new ATOM 0 HD22 ASN A 29 -5.507 7.444 0.922 1.00 60.12 H new ATOM 444 N ALA A 30 -5.871 7.580 -4.327 1.00 32.40 N ATOM 445 CA ALA A 30 -6.913 8.138 -5.179 1.00 74.34 C ATOM 446 C ALA A 30 -7.053 7.339 -6.471 1.00 14.32 C ATOM 447 O ALA A 30 -8.162 7.030 -6.905 1.00 64.52 O ATOM 448 CB ALA A 30 -6.617 9.598 -5.489 1.00 42.40 C ATOM 0 H ALA A 30 -5.013 8.130 -4.295 1.00 32.40 H new ATOM 0 HA ALA A 30 -7.859 8.077 -4.640 1.00 74.34 H new ATOM 0 HB1 ALA A 30 -7.404 10.001 -6.126 1.00 42.40 H new ATOM 0 HB2 ALA A 30 -6.576 10.166 -4.560 1.00 42.40 H new ATOM 0 HB3 ALA A 30 -5.659 9.674 -6.003 1.00 42.40 H new ATOM 454 N VAL A 31 -5.919 7.009 -7.082 1.00 12.23 N ATOM 455 CA VAL A 31 -5.915 6.245 -8.325 1.00 14.25 C ATOM 456 C VAL A 31 -6.390 4.815 -8.092 1.00 54.15 C ATOM 457 O VAL A 31 -7.300 4.336 -8.768 1.00 22.45 O ATOM 458 CB VAL A 31 -4.511 6.212 -8.958 1.00 15.42 C ATOM 459 CG1 VAL A 31 -4.588 5.743 -10.403 1.00 22.23 C ATOM 460 CG2 VAL A 31 -3.854 7.581 -8.867 1.00 43.32 C ATOM 0 H VAL A 31 -4.992 7.258 -6.737 1.00 12.23 H new ATOM 0 HA VAL A 31 -6.601 6.746 -9.008 1.00 14.25 H new ATOM 0 HB VAL A 31 -3.897 5.502 -8.403 1.00 15.42 H new ATOM 0 HG11 VAL A 31 -3.587 5.726 -10.834 1.00 22.23 H new ATOM 0 HG12 VAL A 31 -5.015 4.741 -10.438 1.00 22.23 H new ATOM 0 HG13 VAL A 31 -5.217 6.426 -10.974 1.00 22.23 H new ATOM 0 HG21 VAL A 31 -2.863 7.540 -9.319 1.00 43.32 H new ATOM 0 HG22 VAL A 31 -4.464 8.313 -9.396 1.00 43.32 H new ATOM 0 HG23 VAL A 31 -3.764 7.872 -7.821 1.00 43.32 H new ATOM 470 N ASP A 32 -5.767 4.140 -7.133 1.00 21.01 N ATOM 471 CA ASP A 32 -6.127 2.764 -6.809 1.00 53.05 C ATOM 472 C ASP A 32 -7.626 2.639 -6.560 1.00 72.53 C ATOM 473 O ASP A 32 -8.252 1.654 -6.956 1.00 34.54 O ATOM 474 CB ASP A 32 -5.351 2.287 -5.580 1.00 72.13 C ATOM 475 CG ASP A 32 -5.610 0.827 -5.264 1.00 11.14 C ATOM 476 OD1 ASP A 32 -6.779 0.474 -5.004 1.00 23.02 O ATOM 477 OD2 ASP A 32 -4.643 0.038 -5.277 1.00 2.13 O1- ATOM 0 H ASP A 32 -5.010 4.523 -6.566 1.00 21.01 H new ATOM 0 HA ASP A 32 -5.865 2.136 -7.660 1.00 53.05 H new ATOM 0 HB2 ASP A 32 -4.284 2.436 -5.747 1.00 72.13 H new ATOM 0 HB3 ASP A 32 -5.627 2.897 -4.720 1.00 72.13 H new ATOM 482 N LEU A 33 -8.197 3.641 -5.902 1.00 74.31 N ATOM 483 CA LEU A 33 -9.624 3.643 -5.599 1.00 34.10 C ATOM 484 C LEU A 33 -10.447 3.928 -6.852 1.00 12.03 C ATOM 485 O LEU A 33 -11.570 3.445 -6.991 1.00 72.31 O ATOM 486 CB LEU A 33 -9.936 4.686 -4.523 1.00 41.12 C ATOM 487 CG LEU A 33 -9.969 4.174 -3.083 1.00 33.22 C ATOM 488 CD1 LEU A 33 -11.193 3.302 -2.853 1.00 72.54 C ATOM 489 CD2 LEU A 33 -8.696 3.404 -2.760 1.00 61.23 C ATOM 0 H LEU A 33 -7.694 4.463 -5.568 1.00 74.31 H new ATOM 0 HA LEU A 33 -9.892 2.654 -5.227 1.00 34.10 H new ATOM 0 HB2 LEU A 33 -9.192 5.480 -4.588 1.00 41.12 H new ATOM 0 HB3 LEU A 33 -10.903 5.135 -4.750 1.00 41.12 H new ATOM 0 HG LEU A 33 -10.030 5.033 -2.415 1.00 33.22 H new ATOM 0 HD11 LEU A 33 -11.199 2.947 -1.822 1.00 72.54 H new ATOM 0 HD12 LEU A 33 -12.095 3.884 -3.041 1.00 72.54 H new ATOM 0 HD13 LEU A 33 -11.164 2.448 -3.530 1.00 72.54 H new ATOM 0 HD21 LEU A 33 -8.738 3.047 -1.731 1.00 61.23 H new ATOM 0 HD22 LEU A 33 -8.604 2.553 -3.435 1.00 61.23 H new ATOM 0 HD23 LEU A 33 -7.834 4.059 -2.882 1.00 61.23 H new ATOM 501 N ASP A 34 -9.879 4.713 -7.761 1.00 25.24 N ATOM 502 CA ASP A 34 -10.558 5.059 -9.003 1.00 43.31 C ATOM 503 C ASP A 34 -10.746 3.825 -9.881 1.00 61.42 C ATOM 504 O ASP A 34 -11.835 3.583 -10.402 1.00 23.24 O ATOM 505 CB ASP A 34 -9.766 6.124 -9.763 1.00 4.15 C ATOM 506 CG ASP A 34 -10.071 7.528 -9.279 1.00 21.55 C ATOM 507 OD1 ASP A 34 -10.384 7.688 -8.080 1.00 2.41 O ATOM 508 OD2 ASP A 34 -9.998 8.466 -10.099 1.00 14.33 O1- ATOM 0 H ASP A 34 -8.950 5.122 -7.660 1.00 25.24 H new ATOM 0 HA ASP A 34 -11.541 5.458 -8.752 1.00 43.31 H new ATOM 0 HB2 ASP A 34 -8.700 5.928 -9.651 1.00 4.15 H new ATOM 0 HB3 ASP A 34 -9.994 6.052 -10.827 1.00 4.15 H new ATOM 513 N ILE A 35 -9.678 3.051 -10.042 1.00 53.11 N ATOM 514 CA ILE A 35 -9.726 1.843 -10.856 1.00 72.43 C ATOM 515 C ILE A 35 -10.629 0.790 -10.224 1.00 65.14 C ATOM 516 O ILE A 35 -11.391 0.113 -10.914 1.00 63.13 O ATOM 517 CB ILE A 35 -8.322 1.245 -11.061 1.00 32.13 C ATOM 518 CG1 ILE A 35 -7.505 2.119 -12.014 1.00 63.44 C ATOM 519 CG2 ILE A 35 -8.424 -0.177 -11.592 1.00 43.12 C ATOM 520 CD1 ILE A 35 -6.700 3.190 -11.313 1.00 54.20 C ATOM 0 H ILE A 35 -8.769 3.239 -9.619 1.00 53.11 H new ATOM 0 HA ILE A 35 -10.133 2.132 -11.825 1.00 72.43 H new ATOM 0 HB ILE A 35 -7.812 1.216 -10.098 1.00 32.13 H new ATOM 0 HG12 ILE A 35 -6.829 1.484 -12.586 1.00 63.44 H new ATOM 0 HG13 ILE A 35 -8.179 2.592 -12.728 1.00 63.44 H new ATOM 0 HG21 ILE A 35 -7.423 -0.586 -11.732 1.00 43.12 H new ATOM 0 HG22 ILE A 35 -8.972 -0.793 -10.879 1.00 43.12 H new ATOM 0 HG23 ILE A 35 -8.950 -0.172 -12.546 1.00 43.12 H new ATOM 0 HD11 ILE A 35 -6.146 3.771 -12.051 1.00 54.20 H new ATOM 0 HD12 ILE A 35 -7.372 3.849 -10.763 1.00 54.20 H new ATOM 0 HD13 ILE A 35 -6.001 2.724 -10.619 1.00 54.20 H new ATOM 532 N LYS A 36 -10.538 0.655 -8.905 1.00 33.41 N ATOM 533 CA LYS A 36 -11.348 -0.314 -8.177 1.00 11.21 C ATOM 534 C LYS A 36 -12.834 -0.092 -8.444 1.00 44.03 C ATOM 535 O LYS A 36 -13.598 -1.047 -8.581 1.00 10.45 O ATOM 536 CB LYS A 36 -11.070 -0.216 -6.675 1.00 60.13 C ATOM 537 CG LYS A 36 -11.416 -1.480 -5.908 1.00 62.24 C ATOM 538 CD LYS A 36 -12.816 -1.410 -5.320 1.00 13.54 C ATOM 539 CE LYS A 36 -12.777 -1.283 -3.805 1.00 14.44 C ATOM 540 NZ LYS A 36 -13.211 -2.537 -3.131 1.00 2.14 N1+ ATOM 0 H LYS A 36 -9.911 1.205 -8.318 1.00 33.41 H new ATOM 0 HA LYS A 36 -11.078 -1.311 -8.527 1.00 11.21 H new ATOM 0 HB2 LYS A 36 -10.015 0.013 -6.524 1.00 60.13 H new ATOM 0 HB3 LYS A 36 -11.640 0.617 -6.262 1.00 60.13 H new ATOM 0 HG2 LYS A 36 -11.342 -2.341 -6.572 1.00 62.24 H new ATOM 0 HG3 LYS A 36 -10.691 -1.631 -5.108 1.00 62.24 H new ATOM 0 HD2 LYS A 36 -13.348 -0.558 -5.744 1.00 13.54 H new ATOM 0 HD3 LYS A 36 -13.374 -2.305 -5.597 1.00 13.54 H new ATOM 0 HE2 LYS A 36 -11.765 -1.032 -3.488 1.00 14.44 H new ATOM 0 HE3 LYS A 36 -13.422 -0.461 -3.493 1.00 14.44 H new ATOM 0 HZ1 LYS A 36 -13.170 -2.409 -2.100 1.00 2.14 H new ATOM 0 HZ2 LYS A 36 -14.186 -2.763 -3.413 1.00 2.14 H new ATOM 0 HZ3 LYS A 36 -12.581 -3.316 -3.408 1.00 2.14 H new ATOM 554 N ASN A 37 -13.234 1.172 -8.521 1.00 33.11 N ATOM 555 CA ASN A 37 -14.629 1.518 -8.773 1.00 52.43 C ATOM 556 C ASN A 37 -15.029 1.156 -10.200 1.00 64.43 C ATOM 557 O ASN A 37 -16.201 0.915 -10.485 1.00 13.01 O ATOM 558 CB ASN A 37 -14.857 3.012 -8.532 1.00 21.00 C ATOM 559 CG ASN A 37 -16.327 3.383 -8.556 1.00 60.21 C ATOM 560 OD1 ASN A 37 -16.959 3.394 -9.613 1.00 2.23 O ATOM 561 ND2 ASN A 37 -16.879 3.690 -7.388 1.00 25.32 N ATOM 0 H ASN A 37 -12.613 1.974 -8.413 1.00 33.11 H new ATOM 0 HA ASN A 37 -15.250 0.946 -8.083 1.00 52.43 H new ATOM 0 HB2 ASN A 37 -14.430 3.291 -7.569 1.00 21.00 H new ATOM 0 HB3 ASN A 37 -14.328 3.585 -9.293 1.00 21.00 H new ATOM 0 HD21 ASN A 37 -17.865 3.948 -7.342 1.00 25.32 H new ATOM 0 HD22 ASN A 37 -16.317 3.668 -6.537 1.00 25.32 H new ATOM 568 N ASN A 38 -14.046 1.117 -11.094 1.00 14.23 N ATOM 569 CA ASN A 38 -14.295 0.784 -12.491 1.00 43.44 C ATOM 570 C ASN A 38 -14.290 -0.727 -12.699 1.00 3.10 C ATOM 571 O ASN A 38 -14.754 -1.225 -13.724 1.00 33.41 O ATOM 572 CB ASN A 38 -13.242 1.437 -13.389 1.00 54.02 C ATOM 573 CG ASN A 38 -13.411 2.942 -13.479 1.00 1.01 C ATOM 574 OD1 ASN A 38 -14.483 3.437 -13.826 1.00 2.11 O ATOM 575 ND2 ASN A 38 -12.350 3.675 -13.164 1.00 75.12 N ATOM 0 H ASN A 38 -13.069 1.312 -10.875 1.00 14.23 H new ATOM 0 HA ASN A 38 -15.280 1.167 -12.760 1.00 43.44 H new ATOM 0 HB2 ASN A 38 -12.248 1.208 -13.004 1.00 54.02 H new ATOM 0 HB3 ASN A 38 -13.304 1.007 -14.389 1.00 54.02 H new ATOM 0 HD21 ASN A 38 -12.403 4.693 -13.204 1.00 75.12 H new ATOM 0 HD22 ASN A 38 -11.482 3.220 -12.882 1.00 75.12 H new ATOM 582 N MET A 39 -13.761 -1.452 -11.719 1.00 3.10 N ATOM 583 CA MET A 39 -13.696 -2.907 -11.793 1.00 63.43 C ATOM 584 C MET A 39 -15.066 -3.496 -12.118 1.00 55.21 C ATOM 585 O MET A 39 -15.172 -4.467 -12.866 1.00 10.33 O ATOM 586 CB MET A 39 -13.179 -3.484 -10.474 1.00 62.23 C ATOM 587 CG MET A 39 -12.368 -4.759 -10.645 1.00 71.32 C ATOM 588 SD MET A 39 -10.953 -4.836 -9.531 1.00 42.15 S ATOM 589 CE MET A 39 -11.723 -5.485 -8.050 1.00 45.10 C ATOM 0 H MET A 39 -13.371 -1.056 -10.864 1.00 3.10 H new ATOM 0 HA MET A 39 -13.006 -3.175 -12.593 1.00 63.43 H new ATOM 0 HB2 MET A 39 -12.563 -2.735 -9.976 1.00 62.23 H new ATOM 0 HB3 MET A 39 -14.026 -3.687 -9.819 1.00 62.23 H new ATOM 0 HG2 MET A 39 -13.012 -5.621 -10.469 1.00 71.32 H new ATOM 0 HG3 MET A 39 -12.019 -4.827 -11.675 1.00 71.32 H new ATOM 0 HE1 MET A 39 -10.973 -5.590 -7.266 1.00 45.10 H new ATOM 0 HE2 MET A 39 -12.504 -4.801 -7.716 1.00 45.10 H new ATOM 0 HE3 MET A 39 -12.162 -6.459 -8.265 1.00 45.10 H new ATOM 1232 N LEU B 179 -10.548 7.499 -14.535 1.00 21.12 N ATOM 1233 CA LEU B 179 -9.568 8.260 -13.765 1.00 45.01 C ATOM 1234 C LEU B 179 -9.690 9.752 -14.053 1.00 15.02 C ATOM 1235 O LEU B 179 -8.689 10.437 -14.264 1.00 71.33 O ATOM 1236 CB LEU B 179 -8.152 7.779 -14.090 1.00 20.24 C ATOM 1237 CG LEU B 179 -7.953 6.264 -14.147 1.00 31.54 C ATOM 1238 CD1 LEU B 179 -6.473 5.920 -14.145 1.00 1.43 C ATOM 1239 CD2 LEU B 179 -8.662 5.589 -12.981 1.00 30.23 C ATOM 0 HA LEU B 179 -9.767 8.097 -12.706 1.00 45.01 H new ATOM 0 HB2 LEU B 179 -7.859 8.200 -15.052 1.00 20.24 H new ATOM 0 HB3 LEU B 179 -7.471 8.187 -13.343 1.00 20.24 H new ATOM 0 HG LEU B 179 -8.389 5.894 -15.075 1.00 31.54 H new ATOM 0 HD11 LEU B 179 -6.351 4.838 -14.186 1.00 1.43 H new ATOM 0 HD12 LEU B 179 -5.993 6.372 -15.013 1.00 1.43 H new ATOM 0 HD13 LEU B 179 -6.012 6.303 -13.235 1.00 1.43 H new ATOM 0 HD21 LEU B 179 -8.510 4.511 -13.037 1.00 30.23 H new ATOM 0 HD22 LEU B 179 -8.256 5.964 -12.042 1.00 30.23 H new ATOM 0 HD23 LEU B 179 -9.729 5.808 -13.028 1.00 30.23 H new ATOM 1251 N ASN B 180 -10.922 10.251 -14.057 1.00 63.34 N ATOM 1252 CA ASN B 180 -11.174 11.664 -14.317 1.00 44.12 C ATOM 1253 C ASN B 180 -10.618 12.531 -13.192 1.00 44.34 C ATOM 1254 O ASN B 180 -9.887 13.489 -13.438 1.00 35.34 O ATOM 1255 CB ASN B 180 -12.675 11.914 -14.476 1.00 23.51 C ATOM 1256 CG ASN B 180 -13.033 13.381 -14.342 1.00 51.01 C ATOM 1257 OD1 ASN B 180 -13.457 13.834 -13.278 1.00 50.54 O ATOM 1258 ND2 ASN B 180 -12.865 14.133 -15.424 1.00 62.33 N ATOM 0 H ASN B 180 -11.761 9.698 -13.883 1.00 63.34 H new ATOM 0 HA ASN B 180 -10.668 11.934 -15.244 1.00 44.12 H new ATOM 0 HB2 ASN B 180 -13.000 11.551 -15.451 1.00 23.51 H new ATOM 0 HB3 ASN B 180 -13.218 11.340 -13.725 1.00 23.51 H new ATOM 0 HD21 ASN B 180 -13.090 15.127 -15.394 1.00 62.33 H new ATOM 0 HD22 ASN B 180 -12.511 13.716 -16.285 1.00 62.33 H new ATOM 1265 N ASN B 181 -10.970 12.187 -11.958 1.00 1.43 N ATOM 1266 CA ASN B 181 -10.506 12.933 -10.795 1.00 15.22 C ATOM 1267 C ASN B 181 -9.007 12.738 -10.584 1.00 25.33 C ATOM 1268 O ASN B 181 -8.288 13.679 -10.249 1.00 44.42 O ATOM 1269 CB ASN B 181 -11.269 12.496 -9.543 1.00 74.13 C ATOM 1270 CG ASN B 181 -12.749 12.822 -9.625 1.00 2.20 C ATOM 1271 OD1 ASN B 181 -13.594 11.927 -9.611 1.00 43.12 O ATOM 1272 ND2 ASN B 181 -13.067 14.108 -9.712 1.00 1.21 N ATOM 0 H ASN B 181 -11.575 11.396 -11.738 1.00 1.43 H new ATOM 0 HA ASN B 181 -10.695 13.991 -10.976 1.00 15.22 H new ATOM 0 HB2 ASN B 181 -11.143 11.423 -9.400 1.00 74.13 H new ATOM 0 HB3 ASN B 181 -10.839 12.986 -8.669 1.00 74.13 H new ATOM 0 HD21 ASN B 181 -14.046 14.388 -9.771 1.00 1.21 H new ATOM 0 HD22 ASN B 181 -12.332 14.816 -9.720 1.00 1.21 H new ATOM 1279 N THR B 182 -8.543 11.508 -10.783 1.00 11.30 N ATOM 1280 CA THR B 182 -7.132 11.187 -10.615 1.00 13.24 C ATOM 1281 C THR B 182 -6.263 12.020 -11.551 1.00 12.12 C ATOM 1282 O THR B 182 -5.213 12.526 -11.154 1.00 43.41 O ATOM 1283 CB THR B 182 -6.860 9.693 -10.875 1.00 14.04 C ATOM 1284 OG1 THR B 182 -7.451 8.900 -9.840 1.00 32.25 O ATOM 1285 CG2 THR B 182 -5.365 9.419 -10.940 1.00 24.44 C ATOM 0 H THR B 182 -9.125 10.718 -11.061 1.00 11.30 H new ATOM 0 HA THR B 182 -6.876 11.421 -9.582 1.00 13.24 H new ATOM 0 HB THR B 182 -7.304 9.427 -11.834 1.00 14.04 H new ATOM 0 HG1 THR B 182 -8.410 9.096 -9.785 1.00 32.25 H new ATOM 0 HG21 THR B 182 -5.197 8.358 -11.124 1.00 24.44 H new ATOM 0 HG22 THR B 182 -4.923 10.002 -11.748 1.00 24.44 H new ATOM 0 HG23 THR B 182 -4.902 9.701 -9.994 1.00 24.44 H new ATOM 1293 N LYS B 183 -6.708 12.161 -12.794 1.00 53.13 N ATOM 1294 CA LYS B 183 -5.973 12.935 -13.787 1.00 72.15 C ATOM 1295 C LYS B 183 -5.708 14.352 -13.287 1.00 24.04 C ATOM 1296 O LYS B 183 -4.656 14.931 -13.557 1.00 25.10 O ATOM 1297 CB LYS B 183 -6.753 12.987 -15.104 1.00 72.30 C ATOM 1298 CG LYS B 183 -5.950 13.546 -16.265 1.00 5.24 C ATOM 1299 CD LYS B 183 -6.174 12.744 -17.536 1.00 22.32 C ATOM 1300 CE LYS B 183 -5.221 11.562 -17.625 1.00 54.22 C ATOM 1301 NZ LYS B 183 -5.887 10.353 -18.181 1.00 61.41 N1+ ATOM 0 H LYS B 183 -7.575 11.749 -13.138 1.00 53.13 H new ATOM 0 HA LYS B 183 -5.015 12.443 -13.957 1.00 72.15 H new ATOM 0 HB2 LYS B 183 -7.090 11.982 -15.357 1.00 72.30 H new ATOM 0 HB3 LYS B 183 -7.646 13.596 -14.964 1.00 72.30 H new ATOM 0 HG2 LYS B 183 -6.231 14.585 -16.435 1.00 5.24 H new ATOM 0 HG3 LYS B 183 -4.890 13.539 -16.012 1.00 5.24 H new ATOM 0 HD2 LYS B 183 -7.203 12.386 -17.565 1.00 22.32 H new ATOM 0 HD3 LYS B 183 -6.037 13.389 -18.404 1.00 22.32 H new ATOM 0 HE2 LYS B 183 -4.370 11.828 -18.252 1.00 54.22 H new ATOM 0 HE3 LYS B 183 -4.828 11.337 -16.633 1.00 54.22 H new ATOM 0 HZ1 LYS B 183 -5.204 9.570 -18.225 1.00 61.41 H new ATOM 0 HZ2 LYS B 183 -6.684 10.083 -17.569 1.00 61.41 H new ATOM 0 HZ3 LYS B 183 -6.239 10.560 -19.137 1.00 61.41 H new ATOM 1315 N LYS B 184 -6.668 14.904 -12.553 1.00 42.02 N ATOM 1316 CA LYS B 184 -6.538 16.252 -12.011 1.00 21.53 C ATOM 1317 C LYS B 184 -5.504 16.289 -10.890 1.00 53.10 C ATOM 1318 O LYS B 184 -4.742 17.248 -10.767 1.00 44.52 O ATOM 1319 CB LYS B 184 -7.889 16.747 -11.490 1.00 30.13 C ATOM 1320 CG LYS B 184 -7.984 18.259 -11.387 1.00 63.33 C ATOM 1321 CD LYS B 184 -8.925 18.684 -10.273 1.00 53.03 C ATOM 1322 CE LYS B 184 -8.185 19.427 -9.171 1.00 75.34 C ATOM 1323 NZ LYS B 184 -9.044 19.643 -7.974 1.00 2.24 N1+ ATOM 0 H LYS B 184 -7.545 14.439 -12.319 1.00 42.02 H new ATOM 0 HA LYS B 184 -6.203 16.909 -12.813 1.00 21.53 H new ATOM 0 HB2 LYS B 184 -8.678 16.386 -12.150 1.00 30.13 H new ATOM 0 HB3 LYS B 184 -8.071 16.312 -10.507 1.00 30.13 H new ATOM 0 HG2 LYS B 184 -6.993 18.675 -11.206 1.00 63.33 H new ATOM 0 HG3 LYS B 184 -8.333 18.668 -12.335 1.00 63.33 H new ATOM 0 HD2 LYS B 184 -9.709 19.323 -10.681 1.00 53.03 H new ATOM 0 HD3 LYS B 184 -9.416 17.805 -9.855 1.00 53.03 H new ATOM 0 HE2 LYS B 184 -7.298 18.862 -8.884 1.00 75.34 H new ATOM 0 HE3 LYS B 184 -7.841 20.390 -9.550 1.00 75.34 H new ATOM 0 HZ1 LYS B 184 -8.503 20.152 -7.246 1.00 2.24 H new ATOM 0 HZ2 LYS B 184 -9.878 20.204 -8.242 1.00 2.24 H new ATOM 0 HZ3 LYS B 184 -9.352 18.724 -7.597 1.00 2.24 H new ATOM 1337 N VAL B 185 -5.484 15.240 -10.074 1.00 72.00 N ATOM 1338 CA VAL B 185 -4.542 15.153 -8.964 1.00 62.20 C ATOM 1339 C VAL B 185 -3.112 14.998 -9.469 1.00 20.14 C ATOM 1340 O VAL B 185 -2.197 15.667 -8.988 1.00 30.34 O ATOM 1341 CB VAL B 185 -4.877 13.970 -8.036 1.00 34.11 C ATOM 1342 CG1 VAL B 185 -3.897 13.908 -6.874 1.00 61.11 C ATOM 1343 CG2 VAL B 185 -6.309 14.079 -7.530 1.00 43.43 C ATOM 0 H VAL B 185 -6.109 14.439 -10.161 1.00 72.00 H new ATOM 0 HA VAL B 185 -4.628 16.083 -8.402 1.00 62.20 H new ATOM 0 HB VAL B 185 -4.786 13.046 -8.607 1.00 34.11 H new ATOM 0 HG11 VAL B 185 -4.150 13.066 -6.229 1.00 61.11 H new ATOM 0 HG12 VAL B 185 -2.885 13.780 -7.258 1.00 61.11 H new ATOM 0 HG13 VAL B 185 -3.953 14.833 -6.301 1.00 61.11 H new ATOM 0 HG21 VAL B 185 -6.529 13.235 -6.876 1.00 43.43 H new ATOM 0 HG22 VAL B 185 -6.429 15.009 -6.975 1.00 43.43 H new ATOM 0 HG23 VAL B 185 -6.996 14.070 -8.376 1.00 43.43 H new ATOM 1353 N ALA B 186 -2.926 14.113 -10.442 1.00 41.54 N ATOM 1354 CA ALA B 186 -1.607 13.872 -11.014 1.00 13.30 C ATOM 1355 C ALA B 186 -1.155 15.053 -11.868 1.00 73.42 C ATOM 1356 O ALA B 186 0.041 15.288 -12.036 1.00 34.23 O ATOM 1357 CB ALA B 186 -1.614 12.594 -11.840 1.00 31.31 C ATOM 0 H ALA B 186 -3.672 13.551 -10.851 1.00 41.54 H new ATOM 0 HA ALA B 186 -0.899 13.757 -10.194 1.00 13.30 H new ATOM 0 HB1 ALA B 186 -0.622 12.427 -12.261 1.00 31.31 H new ATOM 0 HB2 ALA B 186 -1.885 11.751 -11.204 1.00 31.31 H new ATOM 0 HB3 ALA B 186 -2.340 12.687 -12.648 1.00 31.31 H new ATOM 1363 N ASN B 187 -2.121 15.791 -12.406 1.00 52.44 N ATOM 1364 CA ASN B 187 -1.821 16.947 -13.244 1.00 75.44 C ATOM 1365 C ASN B 187 -1.771 18.225 -12.411 1.00 63.41 C ATOM 1366 O ASN B 187 -1.805 19.331 -12.950 1.00 42.13 O ATOM 1367 CB ASN B 187 -2.870 17.087 -14.349 1.00 73.21 C ATOM 1368 CG ASN B 187 -2.402 17.983 -15.480 1.00 30.40 C ATOM 1369 OD1 ASN B 187 -1.203 18.151 -15.698 1.00 11.43 O ATOM 1370 ND2 ASN B 187 -3.352 18.564 -16.206 1.00 24.24 N ATOM 0 H ASN B 187 -3.116 15.610 -12.277 1.00 52.44 H new ATOM 0 HA ASN B 187 -0.842 16.791 -13.698 1.00 75.44 H new ATOM 0 HB2 ASN B 187 -3.110 16.101 -14.746 1.00 73.21 H new ATOM 0 HB3 ASN B 187 -3.789 17.492 -13.925 1.00 73.21 H new ATOM 0 HD21 ASN B 187 -3.099 19.178 -16.980 1.00 24.24 H new ATOM 0 HD22 ASN B 187 -4.334 18.396 -15.989 1.00 24.24 H new ATOM 1377 N ALA B 188 -1.689 18.063 -11.095 1.00 51.41 N ATOM 1378 CA ALA B 188 -1.631 19.202 -10.188 1.00 11.44 C ATOM 1379 C ALA B 188 -0.201 19.466 -9.728 1.00 21.50 C ATOM 1380 O ALA B 188 0.151 20.593 -9.376 1.00 23.25 O ATOM 1381 CB ALA B 188 -2.538 18.969 -8.988 1.00 73.14 C ATOM 0 H ALA B 188 -1.661 17.154 -10.633 1.00 51.41 H new ATOM 0 HA ALA B 188 -1.980 20.082 -10.728 1.00 11.44 H new ATOM 0 HB1 ALA B 188 -2.484 19.828 -8.319 1.00 73.14 H new ATOM 0 HB2 ALA B 188 -3.565 18.838 -9.328 1.00 73.14 H new ATOM 0 HB3 ALA B 188 -2.215 18.074 -8.456 1.00 73.14 H new ATOM 1387 N PHE B 189 0.620 18.420 -9.732 1.00 34.51 N ATOM 1388 CA PHE B 189 2.011 18.539 -9.314 1.00 20.00 C ATOM 1389 C PHE B 189 2.731 19.617 -10.119 1.00 21.14 C ATOM 1390 O PHE B 189 3.709 20.203 -9.657 1.00 32.33 O ATOM 1391 CB PHE B 189 2.730 17.199 -9.476 1.00 23.30 C ATOM 1392 CG PHE B 189 2.289 16.158 -8.487 1.00 42.23 C ATOM 1393 CD1 PHE B 189 2.132 16.478 -7.148 1.00 73.34 C ATOM 1394 CD2 PHE B 189 2.033 14.858 -8.896 1.00 11.51 C ATOM 1395 CE1 PHE B 189 1.727 15.523 -6.235 1.00 30.50 C ATOM 1396 CE2 PHE B 189 1.628 13.899 -7.987 1.00 72.43 C ATOM 1397 CZ PHE B 189 1.475 14.231 -6.655 1.00 74.15 C ATOM 0 H PHE B 189 0.345 17.481 -10.020 1.00 34.51 H new ATOM 0 HA PHE B 189 2.025 18.826 -8.263 1.00 20.00 H new ATOM 0 HB2 PHE B 189 2.560 16.824 -10.485 1.00 23.30 H new ATOM 0 HB3 PHE B 189 3.803 17.357 -9.371 1.00 23.30 H new ATOM 0 HD1 PHE B 189 2.329 17.486 -6.814 1.00 73.34 H new ATOM 0 HD2 PHE B 189 2.151 14.592 -9.936 1.00 11.51 H new ATOM 0 HE1 PHE B 189 1.608 15.786 -5.194 1.00 30.50 H new ATOM 0 HE2 PHE B 189 1.431 12.890 -8.318 1.00 72.43 H new ATOM 0 HZ PHE B 189 1.159 13.482 -5.943 1.00 74.15 H new ATOM 1407 N GLY B 190 2.240 19.871 -11.328 1.00 43.35 N ATOM 1408 CA GLY B 190 2.849 20.876 -12.180 1.00 24.14 C ATOM 1409 C GLY B 190 3.883 20.290 -13.121 1.00 44.12 C ATOM 1410 O GLY B 190 5.042 20.109 -12.747 1.00 51.45 O ATOM 0 H GLY B 190 1.431 19.399 -11.733 1.00 43.35 H new ATOM 0 HA2 GLY B 190 2.073 21.373 -12.762 1.00 24.14 H new ATOM 0 HA3 GLY B 190 3.319 21.638 -11.559 1.00 24.14 H new ATOM 1414 N LEU B 191 3.463 19.990 -14.345 1.00 63.42 N ATOM 1415 CA LEU B 191 4.361 19.419 -15.344 1.00 10.14 C ATOM 1416 C LEU B 191 4.065 19.984 -16.728 1.00 40.45 C ATOM 1417 O LEU B 191 4.810 20.817 -17.242 1.00 10.00 O ATOM 1418 CB LEU B 191 4.230 17.895 -15.364 1.00 34.15 C ATOM 1419 CG LEU B 191 4.707 17.164 -14.108 1.00 4.14 C ATOM 1420 CD1 LEU B 191 3.609 16.264 -13.564 1.00 14.25 C ATOM 1421 CD2 LEU B 191 5.963 16.356 -14.406 1.00 31.33 C ATOM 0 H LEU B 191 2.507 20.132 -14.670 1.00 63.42 H new ATOM 0 HA LEU B 191 5.383 19.686 -15.074 1.00 10.14 H new ATOM 0 HB2 LEU B 191 3.183 17.642 -15.532 1.00 34.15 H new ATOM 0 HB3 LEU B 191 4.791 17.513 -16.217 1.00 34.15 H new ATOM 0 HG LEU B 191 4.948 17.907 -13.348 1.00 4.14 H new ATOM 0 HD11 LEU B 191 3.967 15.752 -12.671 1.00 14.25 H new ATOM 0 HD12 LEU B 191 2.736 16.866 -13.312 1.00 14.25 H new ATOM 0 HD13 LEU B 191 3.335 15.527 -14.319 1.00 14.25 H new ATOM 0 HD21 LEU B 191 6.288 15.842 -13.501 1.00 31.33 H new ATOM 0 HD22 LEU B 191 5.748 15.622 -15.182 1.00 31.33 H new ATOM 0 HD23 LEU B 191 6.753 17.025 -14.748 1.00 31.33 H new ATOM 1433 N ASN B 192 2.970 19.525 -17.328 1.00 14.22 N ATOM 1434 CA ASN B 192 2.574 19.987 -18.653 1.00 3.20 C ATOM 1435 C ASN B 192 1.279 19.316 -19.098 1.00 61.33 C ATOM 1436 O ASN B 192 0.217 19.936 -19.103 1.00 35.11 O ATOM 1437 CB ASN B 192 3.684 19.703 -19.668 1.00 22.02 C ATOM 1438 CG ASN B 192 3.190 19.769 -21.099 1.00 73.14 C ATOM 1439 OD1 ASN B 192 3.458 18.876 -21.904 1.00 11.43 O ATOM 1440 ND2 ASN B 192 2.463 20.832 -21.426 1.00 33.43 N ATOM 0 H ASN B 192 2.342 18.834 -16.917 1.00 14.22 H new ATOM 0 HA ASN B 192 2.406 21.063 -18.600 1.00 3.20 H new ATOM 0 HB2 ASN B 192 4.490 20.424 -19.531 1.00 22.02 H new ATOM 0 HB3 ASN B 192 4.103 18.715 -19.477 1.00 22.02 H new ATOM 0 HD21 ASN B 192 2.103 20.931 -22.375 1.00 33.43 H new ATOM 0 HD22 ASN B 192 2.265 21.549 -20.728 1.00 33.43 H new ATOM 1447 N GLU B 193 1.376 18.044 -19.472 1.00 64.34 N ATOM 1448 CA GLU B 193 0.211 17.288 -19.920 1.00 2.34 C ATOM 1449 C GLU B 193 0.596 15.854 -20.272 1.00 22.45 C ATOM 1450 O GLU B 193 -0.128 14.911 -19.954 1.00 34.03 O ATOM 1451 CB GLU B 193 -0.430 17.968 -21.131 1.00 22.34 C ATOM 1452 CG GLU B 193 -1.896 18.312 -20.929 1.00 15.14 C ATOM 1453 CD GLU B 193 -2.760 17.085 -20.716 1.00 61.54 C ATOM 1454 OE1 GLU B 193 -2.790 16.568 -19.580 1.00 75.21 O1- ATOM 1455 OE2 GLU B 193 -3.408 16.640 -21.688 1.00 1.13 O ATOM 0 H GLU B 193 2.248 17.515 -19.474 1.00 64.34 H new ATOM 0 HA GLU B 193 -0.510 17.262 -19.103 1.00 2.34 H new ATOM 0 HB2 GLU B 193 0.121 18.881 -21.359 1.00 22.34 H new ATOM 0 HB3 GLU B 193 -0.335 17.314 -21.997 1.00 22.34 H new ATOM 0 HG2 GLU B 193 -1.994 18.975 -20.069 1.00 15.14 H new ATOM 0 HG3 GLU B 193 -2.259 18.861 -21.798 1.00 15.14 H new ATOM 1462 N GLU B 194 1.741 15.699 -20.931 1.00 32.31 N ATOM 1463 CA GLU B 194 2.220 14.380 -21.327 1.00 23.13 C ATOM 1464 C GLU B 194 2.672 13.578 -20.111 1.00 65.31 C ATOM 1465 O GLU B 194 2.416 12.377 -20.016 1.00 0.10 O ATOM 1466 CB GLU B 194 3.374 14.511 -22.324 1.00 30.33 C ATOM 1467 CG GLU B 194 4.026 13.185 -22.676 1.00 62.22 C ATOM 1468 CD GLU B 194 5.195 12.850 -21.771 1.00 50.12 C ATOM 1469 OE1 GLU B 194 6.082 13.713 -21.605 1.00 10.10 O ATOM 1470 OE2 GLU B 194 5.224 11.726 -21.228 1.00 33.10 O1- ATOM 0 H GLU B 194 2.353 16.469 -21.201 1.00 32.31 H new ATOM 0 HA GLU B 194 1.396 13.850 -21.804 1.00 23.13 H new ATOM 0 HB2 GLU B 194 3.004 14.978 -23.237 1.00 30.33 H new ATOM 0 HB3 GLU B 194 4.129 15.179 -21.908 1.00 30.33 H new ATOM 0 HG2 GLU B 194 3.282 12.391 -22.611 1.00 62.22 H new ATOM 0 HG3 GLU B 194 4.370 13.217 -23.710 1.00 62.22 H new ATOM 1477 N ASP B 195 3.346 14.248 -19.184 1.00 14.25 N ATOM 1478 CA ASP B 195 3.835 13.599 -17.973 1.00 34.43 C ATOM 1479 C ASP B 195 2.678 13.031 -17.156 1.00 34.11 C ATOM 1480 O ASP B 195 2.818 12.006 -16.488 1.00 3.01 O ATOM 1481 CB ASP B 195 4.636 14.588 -17.125 1.00 72.44 C ATOM 1482 CG ASP B 195 5.869 15.100 -17.843 1.00 53.12 C ATOM 1483 OD1 ASP B 195 5.742 16.065 -18.625 1.00 71.13 O1- ATOM 1484 OD2 ASP B 195 6.961 14.534 -17.624 1.00 70.01 O ATOM 0 H ASP B 195 3.567 15.242 -19.248 1.00 14.25 H new ATOM 0 HA ASP B 195 4.486 12.777 -18.270 1.00 34.43 H new ATOM 0 HB2 ASP B 195 3.999 15.431 -16.857 1.00 72.44 H new ATOM 0 HB3 ASP B 195 4.935 14.105 -16.195 1.00 72.44 H new ATOM 1489 N THR B 196 1.533 13.704 -17.214 1.00 34.22 N ATOM 1490 CA THR B 196 0.352 13.269 -16.479 1.00 33.33 C ATOM 1491 C THR B 196 -0.212 11.977 -17.059 1.00 1.45 C ATOM 1492 O THR B 196 -0.497 11.030 -16.328 1.00 31.50 O ATOM 1493 CB THR B 196 -0.748 14.347 -16.492 1.00 71.33 C ATOM 1494 OG1 THR B 196 -0.210 15.602 -16.061 1.00 0.14 O ATOM 1495 CG2 THR B 196 -1.907 13.950 -15.590 1.00 12.14 C ATOM 0 H THR B 196 1.399 14.553 -17.763 1.00 34.22 H new ATOM 0 HA THR B 196 0.667 13.095 -15.450 1.00 33.33 H new ATOM 0 HB THR B 196 -1.119 14.442 -17.512 1.00 71.33 H new ATOM 0 HG1 THR B 196 -0.314 16.265 -16.775 1.00 0.14 H new ATOM 0 HG21 THR B 196 -2.671 14.727 -15.616 1.00 12.14 H new ATOM 0 HG22 THR B 196 -2.334 13.010 -15.939 1.00 12.14 H new ATOM 0 HG23 THR B 196 -1.548 13.828 -14.568 1.00 12.14 H new ATOM 1503 N ASN B 197 -0.368 11.946 -18.378 1.00 73.34 N ATOM 1504 CA ASN B 197 -0.898 10.768 -19.057 1.00 55.02 C ATOM 1505 C ASN B 197 0.052 9.585 -18.915 1.00 4.50 C ATOM 1506 O ASN B 197 -0.379 8.442 -18.758 1.00 10.12 O ATOM 1507 CB ASN B 197 -1.136 11.072 -20.537 1.00 70.44 C ATOM 1508 CG ASN B 197 -2.268 10.249 -21.122 1.00 72.53 C ATOM 1509 OD1 ASN B 197 -2.231 9.018 -21.100 1.00 53.55 O ATOM 1510 ND2 ASN B 197 -3.281 10.926 -21.648 1.00 73.45 N ATOM 0 H ASN B 197 -0.135 12.722 -18.998 1.00 73.34 H new ATOM 0 HA ASN B 197 -1.847 10.506 -18.590 1.00 55.02 H new ATOM 0 HB2 ASN B 197 -1.362 12.132 -20.656 1.00 70.44 H new ATOM 0 HB3 ASN B 197 -0.221 10.877 -21.097 1.00 70.44 H new ATOM 0 HD21 ASN B 197 -4.071 10.426 -22.056 1.00 73.45 H new ATOM 0 HD22 ASN B 197 -3.269 11.946 -21.644 1.00 73.45 H new ATOM 1517 N LEU B 198 1.350 9.865 -18.971 1.00 61.20 N ATOM 1518 CA LEU B 198 2.365 8.824 -18.847 1.00 61.25 C ATOM 1519 C LEU B 198 2.304 8.165 -17.474 1.00 11.34 C ATOM 1520 O LEU B 198 2.482 6.953 -17.346 1.00 42.31 O ATOM 1521 CB LEU B 198 3.757 9.411 -19.084 1.00 42.33 C ATOM 1522 CG LEU B 198 4.835 8.422 -19.530 1.00 54.13 C ATOM 1523 CD1 LEU B 198 4.795 8.233 -21.038 1.00 73.15 C ATOM 1524 CD2 LEU B 198 6.211 8.897 -19.086 1.00 50.43 C ATOM 0 H LEU B 198 1.724 10.805 -19.102 1.00 61.20 H new ATOM 0 HA LEU B 198 2.165 8.064 -19.602 1.00 61.25 H new ATOM 0 HB2 LEU B 198 3.676 10.194 -19.838 1.00 42.33 H new ATOM 0 HB3 LEU B 198 4.090 9.889 -18.163 1.00 42.33 H new ATOM 0 HG LEU B 198 4.635 7.460 -19.059 1.00 54.13 H new ATOM 0 HD11 LEU B 198 5.569 7.526 -21.337 1.00 73.15 H new ATOM 0 HD12 LEU B 198 3.819 7.847 -21.331 1.00 73.15 H new ATOM 0 HD13 LEU B 198 4.969 9.190 -21.529 1.00 73.15 H new ATOM 0 HD21 LEU B 198 6.966 8.181 -19.412 1.00 50.43 H new ATOM 0 HD22 LEU B 198 6.420 9.871 -19.528 1.00 50.43 H new ATOM 0 HD23 LEU B 198 6.234 8.979 -17.999 1.00 50.43 H new ATOM 1536 N LEU B 199 2.049 8.970 -16.448 1.00 10.40 N ATOM 1537 CA LEU B 199 1.963 8.464 -15.082 1.00 34.15 C ATOM 1538 C LEU B 199 0.749 7.557 -14.913 1.00 34.00 C ATOM 1539 O LEU B 199 0.856 6.453 -14.378 1.00 12.21 O ATOM 1540 CB LEU B 199 1.887 9.627 -14.091 1.00 12.13 C ATOM 1541 CG LEU B 199 1.697 9.247 -12.623 1.00 23.23 C ATOM 1542 CD1 LEU B 199 3.039 9.181 -11.910 1.00 31.43 C ATOM 1543 CD2 LEU B 199 0.771 10.236 -11.930 1.00 11.00 C ATOM 0 H LEU B 199 1.898 9.975 -16.536 1.00 10.40 H new ATOM 0 HA LEU B 199 2.861 7.880 -14.880 1.00 34.15 H new ATOM 0 HB2 LEU B 199 2.802 10.213 -14.178 1.00 12.13 H new ATOM 0 HB3 LEU B 199 1.063 10.277 -14.387 1.00 12.13 H new ATOM 0 HG LEU B 199 1.237 8.260 -12.581 1.00 23.23 H new ATOM 0 HD11 LEU B 199 2.883 8.909 -10.866 1.00 31.43 H new ATOM 0 HD12 LEU B 199 3.670 8.432 -12.390 1.00 31.43 H new ATOM 0 HD13 LEU B 199 3.527 10.154 -11.963 1.00 31.43 H new ATOM 0 HD21 LEU B 199 0.648 9.949 -10.886 1.00 11.00 H new ATOM 0 HD22 LEU B 199 1.201 11.236 -11.983 1.00 11.00 H new ATOM 0 HD23 LEU B 199 -0.201 10.233 -12.424 1.00 11.00 H new ATOM 1555 N ILE B 200 -0.404 8.029 -15.373 1.00 62.23 N ATOM 1556 CA ILE B 200 -1.639 7.259 -15.277 1.00 3.44 C ATOM 1557 C ILE B 200 -1.516 5.931 -16.014 1.00 63.22 C ATOM 1558 O ILE B 200 -2.141 4.939 -15.638 1.00 14.54 O ATOM 1559 CB ILE B 200 -2.837 8.041 -15.844 1.00 51.25 C ATOM 1560 CG1 ILE B 200 -3.052 9.333 -15.054 1.00 50.00 C ATOM 1561 CG2 ILE B 200 -4.092 7.181 -15.817 1.00 14.43 C ATOM 1562 CD1 ILE B 200 -3.231 9.110 -13.569 1.00 20.43 C ATOM 0 H ILE B 200 -0.510 8.942 -15.816 1.00 62.23 H new ATOM 0 HA ILE B 200 -1.811 7.069 -14.218 1.00 3.44 H new ATOM 0 HB ILE B 200 -2.623 8.303 -16.880 1.00 51.25 H new ATOM 0 HG12 ILE B 200 -2.200 9.993 -15.214 1.00 50.00 H new ATOM 0 HG13 ILE B 200 -3.931 9.846 -15.445 1.00 50.00 H new ATOM 0 HG21 ILE B 200 -4.930 7.748 -16.221 1.00 14.43 H new ATOM 0 HG22 ILE B 200 -3.934 6.287 -16.421 1.00 14.43 H new ATOM 0 HG23 ILE B 200 -4.312 6.891 -14.790 1.00 14.43 H new ATOM 0 HD11 ILE B 200 -3.379 10.069 -13.072 1.00 20.43 H new ATOM 0 HD12 ILE B 200 -4.101 8.475 -13.399 1.00 20.43 H new ATOM 0 HD13 ILE B 200 -2.343 8.625 -13.164 1.00 20.43 H new ATOM 1574 N ASN B 201 -0.705 5.916 -17.067 1.00 54.25 N ATOM 1575 CA ASN B 201 -0.500 4.709 -17.858 1.00 72.45 C ATOM 1576 C ASN B 201 0.170 3.621 -17.026 1.00 41.21 C ATOM 1577 O ASN B 201 -0.168 2.443 -17.137 1.00 74.01 O ATOM 1578 CB ASN B 201 0.350 5.020 -19.092 1.00 1.33 C ATOM 1579 CG ASN B 201 -0.492 5.367 -20.304 1.00 22.44 C ATOM 1580 OD1 ASN B 201 -1.503 4.719 -20.576 1.00 73.00 O ATOM 1581 ND2 ASN B 201 -0.078 6.392 -21.039 1.00 33.23 N ATOM 0 H ASN B 201 -0.179 6.727 -17.392 1.00 54.25 H new ATOM 0 HA ASN B 201 -1.476 4.346 -18.180 1.00 72.45 H new ATOM 0 HB2 ASN B 201 1.019 5.851 -18.868 1.00 1.33 H new ATOM 0 HB3 ASN B 201 0.977 4.159 -19.324 1.00 1.33 H new ATOM 0 HD21 ASN B 201 -0.604 6.671 -21.867 1.00 33.23 H new ATOM 0 HD22 ASN B 201 0.766 6.900 -20.776 1.00 33.23 H new ATOM 1588 N ALA B 202 1.123 4.024 -16.191 1.00 62.12 N ATOM 1589 CA ALA B 202 1.840 3.084 -15.338 1.00 34.33 C ATOM 1590 C ALA B 202 0.963 2.615 -14.182 1.00 33.13 C ATOM 1591 O ALA B 202 0.917 1.426 -13.866 1.00 54.41 O ATOM 1592 CB ALA B 202 3.117 3.719 -14.811 1.00 20.00 C ATOM 0 H ALA B 202 1.416 4.995 -16.087 1.00 62.12 H new ATOM 0 HA ALA B 202 2.102 2.212 -15.938 1.00 34.33 H new ATOM 0 HB1 ALA B 202 3.642 3.006 -14.176 1.00 20.00 H new ATOM 0 HB2 ALA B 202 3.756 3.999 -15.648 1.00 20.00 H new ATOM 0 HB3 ALA B 202 2.869 4.608 -14.231 1.00 20.00 H new ATOM 1598 N VAL B 203 0.268 3.558 -13.552 1.00 5.54 N ATOM 1599 CA VAL B 203 -0.608 3.241 -12.429 1.00 44.43 C ATOM 1600 C VAL B 203 -1.807 2.417 -12.885 1.00 14.43 C ATOM 1601 O VAL B 203 -2.093 1.359 -12.327 1.00 63.21 O ATOM 1602 CB VAL B 203 -1.109 4.519 -11.731 1.00 62.45 C ATOM 1603 CG1 VAL B 203 -1.738 4.181 -10.388 1.00 54.21 C ATOM 1604 CG2 VAL B 203 0.027 5.515 -11.562 1.00 3.43 C ATOM 0 H VAL B 203 0.295 4.547 -13.800 1.00 5.54 H new ATOM 0 HA VAL B 203 -0.019 2.658 -11.721 1.00 44.43 H new ATOM 0 HB VAL B 203 -1.873 4.979 -12.358 1.00 62.45 H new ATOM 0 HG11 VAL B 203 -2.086 5.096 -9.909 1.00 54.21 H new ATOM 0 HG12 VAL B 203 -2.581 3.507 -10.540 1.00 54.21 H new ATOM 0 HG13 VAL B 203 -0.998 3.697 -9.751 1.00 54.21 H new ATOM 0 HG21 VAL B 203 -0.346 6.412 -11.067 1.00 3.43 H new ATOM 0 HG22 VAL B 203 0.816 5.068 -10.957 1.00 3.43 H new ATOM 0 HG23 VAL B 203 0.427 5.780 -12.541 1.00 3.43 H new ATOM 1614 N ASP B 204 -2.506 2.912 -13.901 1.00 1.21 N ATOM 1615 CA ASP B 204 -3.674 2.223 -14.432 1.00 64.52 C ATOM 1616 C ASP B 204 -3.310 0.816 -14.898 1.00 64.03 C ATOM 1617 O ASP B 204 -3.963 -0.161 -14.529 1.00 31.25 O ATOM 1618 CB ASP B 204 -4.279 3.016 -15.591 1.00 20.21 C ATOM 1619 CG ASP B 204 -5.393 2.263 -16.290 1.00 62.42 C ATOM 1620 OD1 ASP B 204 -6.513 2.210 -15.738 1.00 14.24 O ATOM 1621 OD2 ASP B 204 -5.148 1.726 -17.391 1.00 54.41 O1- ATOM 0 H ASP B 204 -2.283 3.788 -14.373 1.00 1.21 H new ATOM 0 HA ASP B 204 -4.411 2.143 -13.633 1.00 64.52 H new ATOM 0 HB2 ASP B 204 -4.665 3.964 -15.216 1.00 20.21 H new ATOM 0 HB3 ASP B 204 -3.497 3.253 -16.312 1.00 20.21 H new ATOM 1626 N LEU B 205 -2.265 0.721 -15.713 1.00 72.42 N ATOM 1627 CA LEU B 205 -1.814 -0.567 -16.232 1.00 12.54 C ATOM 1628 C LEU B 205 -1.352 -1.478 -15.099 1.00 34.05 C ATOM 1629 O LEU B 205 -1.565 -2.690 -15.138 1.00 73.22 O ATOM 1630 CB LEU B 205 -0.676 -0.364 -17.234 1.00 23.21 C ATOM 1631 CG LEU B 205 -0.149 -1.627 -17.915 1.00 61.42 C ATOM 1632 CD1 LEU B 205 0.294 -1.322 -19.338 1.00 15.44 C ATOM 1633 CD2 LEU B 205 0.997 -2.227 -17.114 1.00 73.13 C ATOM 0 H LEU B 205 -1.714 1.519 -16.029 1.00 72.42 H new ATOM 0 HA LEU B 205 -2.655 -1.043 -16.737 1.00 12.54 H new ATOM 0 HB2 LEU B 205 -1.017 0.326 -18.006 1.00 23.21 H new ATOM 0 HB3 LEU B 205 0.154 0.120 -16.718 1.00 23.21 H new ATOM 0 HG LEU B 205 -0.957 -2.357 -17.957 1.00 61.42 H new ATOM 0 HD11 LEU B 205 0.666 -2.233 -19.806 1.00 15.44 H new ATOM 0 HD12 LEU B 205 -0.553 -0.940 -19.909 1.00 15.44 H new ATOM 0 HD13 LEU B 205 1.086 -0.574 -19.320 1.00 15.44 H new ATOM 0 HD21 LEU B 205 1.359 -3.125 -17.614 1.00 73.13 H new ATOM 0 HD22 LEU B 205 1.807 -1.502 -17.039 1.00 73.13 H new ATOM 0 HD23 LEU B 205 0.647 -2.484 -16.114 1.00 73.13 H new ATOM 1645 N ASP B 206 -0.722 -0.886 -14.091 1.00 4.44 N ATOM 1646 CA ASP B 206 -0.232 -1.645 -12.945 1.00 21.23 C ATOM 1647 C ASP B 206 -1.384 -2.327 -12.212 1.00 52.34 C ATOM 1648 O ASP B 206 -1.309 -3.511 -11.883 1.00 42.22 O ATOM 1649 CB ASP B 206 0.526 -0.727 -11.985 1.00 2.11 C ATOM 1650 CG ASP B 206 2.003 -0.639 -12.314 1.00 52.13 C ATOM 1651 OD1 ASP B 206 2.378 -0.974 -13.458 1.00 44.11 O ATOM 1652 OD2 ASP B 206 2.785 -0.233 -11.429 1.00 54.41 O1- ATOM 0 H ASP B 206 -0.538 0.116 -14.043 1.00 4.44 H new ATOM 0 HA ASP B 206 0.447 -2.414 -13.313 1.00 21.23 H new ATOM 0 HB2 ASP B 206 0.089 0.271 -12.020 1.00 2.11 H new ATOM 0 HB3 ASP B 206 0.405 -1.093 -10.965 1.00 2.11 H new ATOM 1657 N ILE B 207 -2.448 -1.571 -11.960 1.00 3.42 N ATOM 1658 CA ILE B 207 -3.614 -2.103 -11.267 1.00 74.13 C ATOM 1659 C ILE B 207 -4.324 -3.155 -12.113 1.00 1.25 C ATOM 1660 O ILE B 207 -4.763 -4.185 -11.601 1.00 62.52 O ATOM 1661 CB ILE B 207 -4.614 -0.987 -10.911 1.00 55.13 C ATOM 1662 CG1 ILE B 207 -3.972 0.017 -9.951 1.00 15.01 C ATOM 1663 CG2 ILE B 207 -5.876 -1.580 -10.300 1.00 4.54 C ATOM 1664 CD1 ILE B 207 -4.204 1.460 -10.342 1.00 4.22 C ATOM 0 H ILE B 207 -2.526 -0.589 -12.225 1.00 3.42 H new ATOM 0 HA ILE B 207 -3.252 -2.563 -10.348 1.00 74.13 H new ATOM 0 HB ILE B 207 -4.889 -0.462 -11.826 1.00 55.13 H new ATOM 0 HG12 ILE B 207 -4.367 -0.147 -8.949 1.00 15.01 H new ATOM 0 HG13 ILE B 207 -2.899 -0.171 -9.906 1.00 15.01 H new ATOM 0 HG21 ILE B 207 -6.572 -0.778 -10.054 1.00 4.54 H new ATOM 0 HG22 ILE B 207 -6.342 -2.259 -11.014 1.00 4.54 H new ATOM 0 HG23 ILE B 207 -5.619 -2.128 -9.394 1.00 4.54 H new ATOM 0 HD11 ILE B 207 -3.721 2.115 -9.617 1.00 4.22 H new ATOM 0 HD12 ILE B 207 -3.784 1.641 -11.331 1.00 4.22 H new ATOM 0 HD13 ILE B 207 -5.274 1.665 -10.359 1.00 4.22 H new ATOM 1676 N LYS B 208 -4.431 -2.889 -13.410 1.00 63.11 N ATOM 1677 CA LYS B 208 -5.084 -3.814 -14.329 1.00 41.13 C ATOM 1678 C LYS B 208 -4.431 -5.192 -14.270 1.00 74.53 C ATOM 1679 O LYS B 208 -5.113 -6.213 -14.331 1.00 25.13 O ATOM 1680 CB LYS B 208 -5.025 -3.271 -15.759 1.00 10.14 C ATOM 1681 CG LYS B 208 -5.865 -4.063 -16.745 1.00 42.44 C ATOM 1682 CD LYS B 208 -5.927 -3.379 -18.101 1.00 31.30 C ATOM 1683 CE LYS B 208 -5.241 -4.207 -19.176 1.00 64.23 C ATOM 1684 NZ LYS B 208 -5.306 -3.548 -20.509 1.00 43.42 N1+ ATOM 0 H LYS B 208 -4.074 -2.040 -13.849 1.00 63.11 H new ATOM 0 HA LYS B 208 -6.127 -3.912 -14.026 1.00 41.13 H new ATOM 0 HB2 LYS B 208 -5.361 -2.234 -15.759 1.00 10.14 H new ATOM 0 HB3 LYS B 208 -3.988 -3.270 -16.096 1.00 10.14 H new ATOM 0 HG2 LYS B 208 -5.447 -5.063 -16.860 1.00 42.44 H new ATOM 0 HG3 LYS B 208 -6.874 -4.183 -16.351 1.00 42.44 H new ATOM 0 HD2 LYS B 208 -6.968 -3.212 -18.378 1.00 31.30 H new ATOM 0 HD3 LYS B 208 -5.453 -2.399 -18.037 1.00 31.30 H new ATOM 0 HE2 LYS B 208 -4.199 -4.368 -18.901 1.00 64.23 H new ATOM 0 HE3 LYS B 208 -5.711 -5.189 -19.233 1.00 64.23 H new ATOM 0 HZ1 LYS B 208 -4.827 -4.144 -21.214 1.00 43.42 H new ATOM 0 HZ2 LYS B 208 -6.301 -3.417 -20.784 1.00 43.42 H new ATOM 0 HZ3 LYS B 208 -4.835 -2.622 -20.462 1.00 43.42 H new ATOM 1698 N ASN B 209 -3.108 -5.210 -14.150 1.00 73.21 N ATOM 1699 CA ASN B 209 -2.364 -6.462 -14.082 1.00 32.12 C ATOM 1700 C ASN B 209 -2.736 -7.248 -12.828 1.00 52.21 C ATOM 1701 O ASN B 209 -2.747 -8.478 -12.836 1.00 21.45 O ATOM 1702 CB ASN B 209 -0.859 -6.187 -14.098 1.00 10.04 C ATOM 1703 CG ASN B 209 -0.071 -7.315 -14.737 1.00 70.32 C ATOM 1704 OD1 ASN B 209 0.425 -8.208 -14.050 1.00 60.22 O ATOM 1705 ND2 ASN B 209 0.046 -7.278 -16.059 1.00 5.10 N ATOM 0 H ASN B 209 -2.529 -4.372 -14.098 1.00 73.21 H new ATOM 0 HA ASN B 209 -2.626 -7.060 -14.955 1.00 32.12 H new ATOM 0 HB2 ASN B 209 -0.667 -5.261 -14.640 1.00 10.04 H new ATOM 0 HB3 ASN B 209 -0.509 -6.036 -13.077 1.00 10.04 H new ATOM 0 HD21 ASN B 209 0.564 -8.010 -16.546 1.00 5.10 H new ATOM 0 HD22 ASN B 209 -0.382 -6.518 -16.588 1.00 5.10 H new