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= -0.428 X(o=-0.35,f=-0.73) USER MOD Set 1.2: B 196 THR OG1 : rot 80:sc= 0.0826 USER MOD Set 2.1: A 15 ASN : amide:sc= 0.591 K(o=0.93,f=-0.11) USER MOD Set 2.2: A 24 THR OG1 : rot 161:sc= 0.342 USER MOD Single : A 8 ASN : amide:sc= -0.0036 K(o=-0.0036,f=-1.3) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 10 THR OG1 : rot 71:sc= 0.386 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.19) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.585 X(o=-0.59,f=-0.094) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 180 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : B 181 ASN : amide:sc= -0.556 K(o=-0.56,f=0.02) USER MOD Single : B 182 THR OG1 : rot 110:sc= -0.133 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= -0.606 X(o=-0.61,f=-1.1) USER MOD Single : B 197 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 201 ASN : amide:sc= 0.00215 X(o=0.0022,f=0) USER MOD Single : B 208 LYS NZ :NH3+ -157:sc= -0.0429 (180deg=-0.274) USER MOD Single : B 209 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 1.902 -1.793 -6.788 1.00 45.14 N ATOM 89 CA LEU A 7 2.237 -0.535 -7.447 1.00 22.43 C ATOM 90 C LEU A 7 3.584 -0.009 -6.961 1.00 20.22 C ATOM 91 O LEU A 7 3.776 1.198 -6.820 1.00 35.23 O ATOM 92 CB LEU A 7 1.147 0.506 -7.188 1.00 21.44 C ATOM 93 CG LEU A 7 -0.102 0.402 -8.063 1.00 44.42 C ATOM 94 CD1 LEU A 7 -1.259 1.163 -7.435 1.00 61.40 C ATOM 95 CD2 LEU A 7 0.185 0.924 -9.464 1.00 52.23 C ATOM 0 HA LEU A 7 2.305 -0.721 -8.519 1.00 22.43 H new ATOM 0 HB2 LEU A 7 0.842 0.431 -6.144 1.00 21.44 H new ATOM 0 HB3 LEU A 7 1.580 1.497 -7.324 1.00 21.44 H new ATOM 0 HG LEU A 7 -0.384 -0.648 -8.138 1.00 44.42 H new ATOM 0 HD11 LEU A 7 -2.139 1.078 -8.072 1.00 61.40 H new ATOM 0 HD12 LEU A 7 -1.480 0.744 -6.453 1.00 61.40 H new ATOM 0 HD13 LEU A 7 -0.989 2.214 -7.329 1.00 61.40 H new ATOM 0 HD21 LEU A 7 -0.715 0.843 -10.074 1.00 52.23 H new ATOM 0 HD22 LEU A 7 0.492 1.968 -9.407 1.00 52.23 H new ATOM 0 HD23 LEU A 7 0.984 0.335 -9.915 1.00 52.23 H new ATOM 107 N ASN A 8 4.516 -0.924 -6.711 1.00 3.33 N ATOM 108 CA ASN A 8 5.846 -0.552 -6.243 1.00 72.03 C ATOM 109 C ASN A 8 6.543 0.356 -7.251 1.00 64.21 C ATOM 110 O ASN A 8 7.049 1.421 -6.897 1.00 53.52 O ATOM 111 CB ASN A 8 6.692 -1.803 -5.997 1.00 62.14 C ATOM 112 CG ASN A 8 8.017 -1.485 -5.335 1.00 31.24 C ATOM 113 OD1 ASN A 8 8.222 -0.381 -4.828 1.00 73.33 O ATOM 114 ND2 ASN A 8 8.927 -2.452 -5.336 1.00 31.13 N ATOM 0 H ASN A 8 4.374 -1.928 -6.825 1.00 3.33 H new ATOM 0 HA ASN A 8 5.734 -0.007 -5.306 1.00 72.03 H new ATOM 0 HB2 ASN A 8 6.134 -2.498 -5.370 1.00 62.14 H new ATOM 0 HB3 ASN A 8 6.875 -2.307 -6.946 1.00 62.14 H new ATOM 0 HD21 ASN A 8 9.838 -2.295 -4.905 1.00 31.13 H new ATOM 0 HD22 ASN A 8 8.715 -3.352 -5.767 1.00 31.13 H new ATOM 121 N ASN A 9 6.565 -0.071 -8.510 1.00 35.53 N ATOM 122 CA ASN A 9 7.200 0.703 -9.569 1.00 51.12 C ATOM 123 C ASN A 9 6.487 2.036 -9.770 1.00 10.34 C ATOM 124 O ASN A 9 7.111 3.043 -10.105 1.00 62.01 O ATOM 125 CB ASN A 9 7.201 -0.090 -10.878 1.00 61.24 C ATOM 126 CG ASN A 9 8.060 -1.337 -10.799 1.00 24.13 C ATOM 127 OD1 ASN A 9 8.989 -1.413 -9.994 1.00 65.42 O ATOM 128 ND2 ASN A 9 7.754 -2.322 -11.635 1.00 0.41 N ATOM 0 H ASN A 9 6.150 -0.949 -8.821 1.00 35.53 H new ATOM 0 HA ASN A 9 8.230 0.903 -9.272 1.00 51.12 H new ATOM 0 HB2 ASN A 9 6.179 -0.372 -11.129 1.00 61.24 H new ATOM 0 HB3 ASN A 9 7.563 0.547 -11.685 1.00 61.24 H new ATOM 0 HD21 ASN A 9 8.297 -3.185 -11.627 1.00 0.41 H new ATOM 0 HD22 ASN A 9 6.976 -2.216 -12.285 1.00 0.41 H new ATOM 135 N THR A 10 5.173 2.036 -9.562 1.00 4.25 N ATOM 136 CA THR A 10 4.375 3.245 -9.720 1.00 1.41 C ATOM 137 C THR A 10 4.721 4.277 -8.653 1.00 54.21 C ATOM 138 O THR A 10 4.727 5.479 -8.915 1.00 1.42 O ATOM 139 CB THR A 10 2.868 2.936 -9.650 1.00 34.21 C ATOM 140 OG1 THR A 10 2.483 2.119 -10.760 1.00 71.24 O ATOM 141 CG2 THR A 10 2.051 4.219 -9.650 1.00 60.12 C ATOM 0 H THR A 10 4.640 1.212 -9.284 1.00 4.25 H new ATOM 0 HA THR A 10 4.610 3.652 -10.704 1.00 1.41 H new ATOM 0 HB THR A 10 2.673 2.401 -8.721 1.00 34.21 H new ATOM 0 HG1 THR A 10 2.853 1.218 -10.647 1.00 71.24 H new ATOM 0 HG21 THR A 10 0.990 3.975 -9.600 1.00 60.12 H new ATOM 0 HG22 THR A 10 2.325 4.825 -8.786 1.00 60.12 H new ATOM 0 HG23 THR A 10 2.252 4.778 -10.564 1.00 60.12 H new ATOM 149 N LYS A 11 5.009 3.800 -7.446 1.00 61.44 N ATOM 150 CA LYS A 11 5.359 4.679 -6.338 1.00 41.24 C ATOM 151 C LYS A 11 6.537 5.576 -6.705 1.00 43.13 C ATOM 152 O LYS A 11 6.568 6.754 -6.351 1.00 45.40 O ATOM 153 CB LYS A 11 5.700 3.856 -5.094 1.00 72.22 C ATOM 154 CG LYS A 11 5.837 4.689 -3.832 1.00 3.35 C ATOM 155 CD LYS A 11 6.385 3.868 -2.677 1.00 71.24 C ATOM 156 CE LYS A 11 7.869 4.125 -2.464 1.00 12.11 C ATOM 157 NZ LYS A 11 8.255 3.988 -1.033 1.00 2.43 N1+ ATOM 0 H LYS A 11 5.007 2.807 -7.211 1.00 61.44 H new ATOM 0 HA LYS A 11 4.497 5.311 -6.123 1.00 41.24 H new ATOM 0 HB2 LYS A 11 4.924 3.106 -4.941 1.00 72.22 H new ATOM 0 HB3 LYS A 11 6.633 3.320 -5.268 1.00 72.22 H new ATOM 0 HG2 LYS A 11 6.497 5.535 -4.023 1.00 3.35 H new ATOM 0 HG3 LYS A 11 4.865 5.099 -3.559 1.00 3.35 H new ATOM 0 HD2 LYS A 11 5.838 4.110 -1.766 1.00 71.24 H new ATOM 0 HD3 LYS A 11 6.223 2.808 -2.874 1.00 71.24 H new ATOM 0 HE2 LYS A 11 8.449 3.425 -3.065 1.00 12.11 H new ATOM 0 HE3 LYS A 11 8.118 5.127 -2.813 1.00 12.11 H new ATOM 0 HZ1 LYS A 11 9.274 4.171 -0.929 1.00 2.43 H new ATOM 0 HZ2 LYS A 11 7.720 4.673 -0.462 1.00 2.43 H new ATOM 0 HZ3 LYS A 11 8.041 3.024 -0.707 1.00 2.43 H new ATOM 171 N LYS A 12 7.504 5.011 -7.421 1.00 11.22 N ATOM 172 CA LYS A 12 8.683 5.760 -7.840 1.00 32.42 C ATOM 173 C LYS A 12 8.317 6.813 -8.880 1.00 33.23 C ATOM 174 O LYS A 12 8.939 7.873 -8.949 1.00 23.11 O ATOM 175 CB LYS A 12 9.739 4.809 -8.409 1.00 11.43 C ATOM 176 CG LYS A 12 10.202 3.752 -7.422 1.00 43.43 C ATOM 177 CD LYS A 12 10.543 2.448 -8.122 1.00 22.44 C ATOM 178 CE LYS A 12 11.957 2.470 -8.685 1.00 50.30 C ATOM 179 NZ LYS A 12 12.321 1.175 -9.323 1.00 53.14 N1+ ATOM 0 H LYS A 12 7.494 4.037 -7.723 1.00 11.22 H new ATOM 0 HA LYS A 12 9.092 6.267 -6.966 1.00 32.42 H new ATOM 0 HB2 LYS A 12 9.333 4.316 -9.292 1.00 11.43 H new ATOM 0 HB3 LYS A 12 10.601 5.391 -8.736 1.00 11.43 H new ATOM 0 HG2 LYS A 12 11.076 4.115 -6.882 1.00 43.43 H new ATOM 0 HG3 LYS A 12 9.421 3.576 -6.683 1.00 43.43 H new ATOM 0 HD2 LYS A 12 10.443 1.620 -7.420 1.00 22.44 H new ATOM 0 HD3 LYS A 12 9.832 2.270 -8.929 1.00 22.44 H new ATOM 0 HE2 LYS A 12 12.044 3.273 -9.418 1.00 50.30 H new ATOM 0 HE3 LYS A 12 12.663 2.691 -7.885 1.00 50.30 H new ATOM 0 HZ1 LYS A 12 13.291 1.231 -9.694 1.00 53.14 H new ATOM 0 HZ2 LYS A 12 12.263 0.412 -8.618 1.00 53.14 H new ATOM 0 HZ3 LYS A 12 11.663 0.976 -10.103 1.00 53.14 H new ATOM 193 N VAL A 13 7.304 6.515 -9.686 1.00 53.52 N ATOM 194 CA VAL A 13 6.854 7.438 -10.721 1.00 41.51 C ATOM 195 C VAL A 13 6.253 8.699 -10.110 1.00 30.34 C ATOM 196 O VAL A 13 6.516 9.810 -10.570 1.00 73.21 O ATOM 197 CB VAL A 13 5.810 6.781 -11.643 1.00 44.34 C ATOM 198 CG1 VAL A 13 5.462 7.706 -12.801 1.00 13.11 C ATOM 199 CG2 VAL A 13 6.319 5.442 -12.155 1.00 51.10 C ATOM 0 H VAL A 13 6.779 5.642 -9.643 1.00 53.52 H new ATOM 0 HA VAL A 13 7.732 7.705 -11.310 1.00 41.51 H new ATOM 0 HB VAL A 13 4.903 6.603 -11.066 1.00 44.34 H new ATOM 0 HG11 VAL A 13 4.723 7.225 -13.442 1.00 13.11 H new ATOM 0 HG12 VAL A 13 5.053 8.638 -12.412 1.00 13.11 H new ATOM 0 HG13 VAL A 13 6.361 7.918 -13.380 1.00 13.11 H new ATOM 0 HG21 VAL A 13 5.569 4.992 -12.805 1.00 51.10 H new ATOM 0 HG22 VAL A 13 7.241 5.594 -12.716 1.00 51.10 H new ATOM 0 HG23 VAL A 13 6.513 4.780 -11.311 1.00 51.10 H new ATOM 209 N ALA A 14 5.446 8.519 -9.070 1.00 61.03 N ATOM 210 CA ALA A 14 4.810 9.643 -8.393 1.00 55.53 C ATOM 211 C ALA A 14 5.826 10.448 -7.591 1.00 20.42 C ATOM 212 O ALA A 14 5.754 11.674 -7.531 1.00 42.30 O ATOM 213 CB ALA A 14 3.691 9.149 -7.488 1.00 1.33 C ATOM 0 H ALA A 14 5.217 7.606 -8.678 1.00 61.03 H new ATOM 0 HA ALA A 14 4.385 10.299 -9.153 1.00 55.53 H new ATOM 0 HB1 ALA A 14 3.225 9.999 -6.989 1.00 1.33 H new ATOM 0 HB2 ALA A 14 2.945 8.625 -8.085 1.00 1.33 H new ATOM 0 HB3 ALA A 14 4.101 8.469 -6.741 1.00 1.33 H new ATOM 219 N ASN A 15 6.774 9.748 -6.973 1.00 70.15 N ATOM 220 CA ASN A 15 7.805 10.398 -6.173 1.00 53.12 C ATOM 221 C ASN A 15 8.764 11.188 -7.058 1.00 61.14 C ATOM 222 O ASN A 15 9.410 12.131 -6.604 1.00 41.41 O ATOM 223 CB ASN A 15 8.581 9.358 -5.362 1.00 2.13 C ATOM 224 CG ASN A 15 9.133 9.928 -4.069 1.00 4.21 C ATOM 225 OD1 ASN A 15 8.717 9.538 -2.978 1.00 71.34 O ATOM 226 ND2 ASN A 15 10.074 10.857 -4.187 1.00 42.43 N ATOM 0 H ASN A 15 6.848 8.731 -7.012 1.00 70.15 H new ATOM 0 HA ASN A 15 7.316 11.092 -5.489 1.00 53.12 H new ATOM 0 HB2 ASN A 15 7.927 8.516 -5.135 1.00 2.13 H new ATOM 0 HB3 ASN A 15 9.402 8.970 -5.965 1.00 2.13 H new ATOM 0 HD21 ASN A 15 10.483 11.278 -3.353 1.00 42.43 H new ATOM 0 HD22 ASN A 15 10.388 11.150 -5.112 1.00 42.43 H new ATOM 233 N ALA A 16 8.850 10.795 -8.325 1.00 72.11 N ATOM 234 CA ALA A 16 9.728 11.468 -9.276 1.00 34.12 C ATOM 235 C ALA A 16 9.373 12.945 -9.398 1.00 65.21 C ATOM 236 O ALA A 16 10.249 13.791 -9.586 1.00 35.42 O ATOM 237 CB ALA A 16 9.651 10.789 -10.635 1.00 4.15 C ATOM 0 H ALA A 16 8.323 10.015 -8.717 1.00 72.11 H new ATOM 0 HA ALA A 16 10.750 11.397 -8.905 1.00 34.12 H new ATOM 0 HB1 ALA A 16 10.311 11.301 -11.335 1.00 4.15 H new ATOM 0 HB2 ALA A 16 9.960 9.748 -10.540 1.00 4.15 H new ATOM 0 HB3 ALA A 16 8.627 10.831 -11.005 1.00 4.15 H new ATOM 243 N PHE A 17 8.084 13.251 -9.294 1.00 22.00 N ATOM 244 CA PHE A 17 7.614 14.628 -9.395 1.00 72.13 C ATOM 245 C PHE A 17 8.317 15.519 -8.376 1.00 73.20 C ATOM 246 O PHE A 17 8.440 16.727 -8.571 1.00 42.53 O ATOM 247 CB PHE A 17 6.101 14.689 -9.185 1.00 55.51 C ATOM 248 CG PHE A 17 5.315 14.043 -10.290 1.00 43.25 C ATOM 249 CD1 PHE A 17 5.655 14.258 -11.617 1.00 74.52 C ATOM 250 CD2 PHE A 17 4.236 13.223 -10.004 1.00 70.21 C ATOM 251 CE1 PHE A 17 4.934 13.665 -12.636 1.00 3.54 C ATOM 252 CE2 PHE A 17 3.511 12.628 -11.020 1.00 15.13 C ATOM 253 CZ PHE A 17 3.860 12.849 -12.337 1.00 63.41 C ATOM 0 H PHE A 17 7.346 12.564 -9.140 1.00 22.00 H new ATOM 0 HA PHE A 17 7.850 14.994 -10.394 1.00 72.13 H new ATOM 0 HB2 PHE A 17 5.853 14.202 -8.242 1.00 55.51 H new ATOM 0 HB3 PHE A 17 5.797 15.732 -9.095 1.00 55.51 H new ATOM 0 HD1 PHE A 17 6.493 14.896 -11.857 1.00 74.52 H new ATOM 0 HD2 PHE A 17 3.958 13.046 -8.976 1.00 70.21 H new ATOM 0 HE1 PHE A 17 5.210 13.839 -13.665 1.00 3.54 H new ATOM 0 HE2 PHE A 17 2.672 11.991 -10.783 1.00 15.13 H new ATOM 0 HZ PHE A 17 3.295 12.385 -13.132 1.00 63.41 H new ATOM 263 N GLY A 18 8.778 14.912 -7.286 1.00 11.23 N ATOM 264 CA GLY A 18 9.462 15.665 -6.251 1.00 1.25 C ATOM 265 C GLY A 18 8.507 16.234 -5.220 1.00 51.14 C ATOM 266 O GLY A 18 7.902 17.285 -5.437 1.00 50.23 O ATOM 0 H GLY A 18 8.690 13.913 -7.102 1.00 11.23 H new ATOM 0 HA2 GLY A 18 10.185 15.019 -5.754 1.00 1.25 H new ATOM 0 HA3 GLY A 18 10.024 16.479 -6.709 1.00 1.25 H new ATOM 270 N LEU A 19 8.369 15.539 -4.097 1.00 10.14 N ATOM 271 CA LEU A 19 7.480 15.980 -3.029 1.00 54.20 C ATOM 272 C LEU A 19 8.078 15.675 -1.660 1.00 33.40 C ATOM 273 O LEU A 19 8.562 16.570 -0.969 1.00 34.01 O ATOM 274 CB LEU A 19 6.114 15.303 -3.163 1.00 40.23 C ATOM 275 CG LEU A 19 5.251 15.760 -4.341 1.00 63.21 C ATOM 276 CD1 LEU A 19 4.599 14.566 -5.019 1.00 62.30 C ATOM 277 CD2 LEU A 19 4.197 16.754 -3.876 1.00 61.13 C ATOM 0 H LEU A 19 8.862 14.667 -3.902 1.00 10.14 H new ATOM 0 HA LEU A 19 7.355 17.059 -3.118 1.00 54.20 H new ATOM 0 HB2 LEU A 19 6.271 14.228 -3.249 1.00 40.23 H new ATOM 0 HB3 LEU A 19 5.555 15.471 -2.242 1.00 40.23 H new ATOM 0 HG LEU A 19 5.894 16.257 -5.067 1.00 63.21 H new ATOM 0 HD11 LEU A 19 3.989 14.910 -5.854 1.00 62.30 H new ATOM 0 HD12 LEU A 19 5.371 13.890 -5.387 1.00 62.30 H new ATOM 0 HD13 LEU A 19 3.969 14.040 -4.302 1.00 62.30 H new ATOM 0 HD21 LEU A 19 3.593 17.068 -4.727 1.00 61.13 H new ATOM 0 HD22 LEU A 19 3.557 16.283 -3.130 1.00 61.13 H new ATOM 0 HD23 LEU A 19 4.686 17.624 -3.437 1.00 61.13 H new ATOM 289 N ASN A 20 8.044 14.403 -1.275 1.00 75.21 N ATOM 290 CA ASN A 20 8.584 13.978 0.011 1.00 24.44 C ATOM 291 C ASN A 20 8.427 12.472 0.197 1.00 13.10 C ATOM 292 O ASN A 20 9.395 11.719 0.093 1.00 43.40 O ATOM 293 CB ASN A 20 7.886 14.720 1.151 1.00 14.14 C ATOM 294 CG ASN A 20 8.113 14.058 2.497 1.00 52.21 C ATOM 295 OD1 ASN A 20 9.250 13.789 2.886 1.00 52.34 O ATOM 296 ND2 ASN A 20 7.028 13.790 3.215 1.00 22.02 N ATOM 0 H ASN A 20 7.648 13.649 -1.836 1.00 75.21 H new ATOM 0 HA ASN A 20 9.647 14.219 0.027 1.00 24.44 H new ATOM 0 HB2 ASN A 20 8.249 15.747 1.188 1.00 14.14 H new ATOM 0 HB3 ASN A 20 6.816 14.768 0.948 1.00 14.14 H new ATOM 0 HD21 ASN A 20 7.118 13.344 4.128 1.00 22.02 H new ATOM 0 HD22 ASN A 20 6.105 14.030 2.854 1.00 22.02 H new ATOM 303 N GLU A 21 7.199 12.041 0.473 1.00 60.51 N ATOM 304 CA GLU A 21 6.916 10.625 0.674 1.00 51.34 C ATOM 305 C GLU A 21 5.415 10.385 0.813 1.00 34.24 C ATOM 306 O GLU A 21 4.871 9.441 0.242 1.00 12.05 O ATOM 307 CB GLU A 21 7.643 10.107 1.915 1.00 22.53 C ATOM 308 CG GLU A 21 7.865 8.603 1.908 1.00 31.12 C ATOM 309 CD GLU A 21 7.867 8.007 3.302 1.00 21.13 C ATOM 310 OE1 GLU A 21 8.689 8.447 4.134 1.00 11.02 O ATOM 311 OE2 GLU A 21 7.048 7.101 3.563 1.00 44.14 O1- ATOM 0 H GLU A 21 6.387 12.651 0.562 1.00 60.51 H new ATOM 0 HA GLU A 21 7.275 10.082 -0.200 1.00 51.34 H new ATOM 0 HB2 GLU A 21 8.608 10.608 1.996 1.00 22.53 H new ATOM 0 HB3 GLU A 21 7.069 10.377 2.801 1.00 22.53 H new ATOM 0 HG2 GLU A 21 7.084 8.127 1.315 1.00 31.12 H new ATOM 0 HG3 GLU A 21 8.815 8.382 1.421 1.00 31.12 H new ATOM 318 N GLU A 22 4.753 11.247 1.580 1.00 44.44 N ATOM 319 CA GLU A 22 3.316 11.129 1.795 1.00 14.31 C ATOM 320 C GLU A 22 2.544 11.489 0.529 1.00 35.13 C ATOM 321 O GLU A 22 1.564 10.831 0.180 1.00 71.02 O ATOM 322 CB GLU A 22 2.875 12.032 2.950 1.00 45.15 C ATOM 323 CG GLU A 22 2.287 11.274 4.126 1.00 74.23 C ATOM 324 CD GLU A 22 1.390 12.139 4.989 1.00 40.50 C ATOM 325 OE1 GLU A 22 0.644 12.967 4.427 1.00 4.51 O1- ATOM 326 OE2 GLU A 22 1.433 11.987 6.228 1.00 12.51 O ATOM 0 H GLU A 22 5.189 12.033 2.062 1.00 44.44 H new ATOM 0 HA GLU A 22 3.097 10.092 2.050 1.00 14.31 H new ATOM 0 HB2 GLU A 22 3.732 12.611 3.294 1.00 45.15 H new ATOM 0 HB3 GLU A 22 2.136 12.744 2.582 1.00 45.15 H new ATOM 0 HG2 GLU A 22 1.717 10.422 3.756 1.00 74.23 H new ATOM 0 HG3 GLU A 22 3.096 10.874 4.737 1.00 74.23 H new ATOM 333 N ASP A 23 2.992 12.538 -0.152 1.00 34.30 N ATOM 334 CA ASP A 23 2.344 12.986 -1.379 1.00 71.21 C ATOM 335 C ASP A 23 2.354 11.883 -2.433 1.00 33.42 C ATOM 336 O ASP A 23 1.424 11.760 -3.230 1.00 13.43 O ATOM 337 CB ASP A 23 3.041 14.233 -1.922 1.00 44.44 C ATOM 338 CG ASP A 23 2.911 15.421 -0.989 1.00 70.11 C ATOM 339 OD1 ASP A 23 1.926 15.469 -0.223 1.00 3.42 O1- ATOM 340 OD2 ASP A 23 3.795 16.303 -1.024 1.00 41.50 O ATOM 0 H ASP A 23 3.801 13.094 0.125 1.00 34.30 H new ATOM 0 HA ASP A 23 1.308 13.231 -1.145 1.00 71.21 H new ATOM 0 HB2 ASP A 23 4.097 14.015 -2.083 1.00 44.44 H new ATOM 0 HB3 ASP A 23 2.617 14.489 -2.893 1.00 44.44 H new ATOM 345 N THR A 24 3.415 11.080 -2.433 1.00 32.04 N ATOM 346 CA THR A 24 3.548 9.989 -3.389 1.00 4.20 C ATOM 347 C THR A 24 2.488 8.920 -3.154 1.00 71.41 C ATOM 348 O THR A 24 1.862 8.435 -4.096 1.00 1.24 O ATOM 349 CB THR A 24 4.943 9.340 -3.309 1.00 42.53 C ATOM 350 OG1 THR A 24 5.957 10.330 -3.515 1.00 14.44 O ATOM 351 CG2 THR A 24 5.086 8.238 -4.348 1.00 72.42 C ATOM 0 H THR A 24 4.194 11.166 -1.781 1.00 32.04 H new ATOM 0 HA THR A 24 3.412 10.419 -4.381 1.00 4.20 H new ATOM 0 HB THR A 24 5.060 8.902 -2.318 1.00 42.53 H new ATOM 0 HG1 THR A 24 6.812 10.000 -3.168 1.00 14.44 H new ATOM 0 HG21 THR A 24 6.079 7.794 -4.273 1.00 72.42 H new ATOM 0 HG22 THR A 24 4.331 7.472 -4.172 1.00 72.42 H new ATOM 0 HG23 THR A 24 4.951 8.658 -5.345 1.00 72.42 H new ATOM 359 N ASN A 25 2.292 8.554 -1.891 1.00 64.53 N ATOM 360 CA ASN A 25 1.306 7.541 -1.533 1.00 32.43 C ATOM 361 C ASN A 25 -0.110 8.048 -1.779 1.00 10.31 C ATOM 362 O ASN A 25 -0.985 7.297 -2.212 1.00 34.34 O ATOM 363 CB ASN A 25 1.468 7.138 -0.065 1.00 65.24 C ATOM 364 CG ASN A 25 0.986 5.726 0.203 1.00 15.53 C ATOM 365 OD1 ASN A 25 -0.164 5.515 0.589 1.00 14.15 O ATOM 366 ND2 ASN A 25 1.864 4.752 0.000 1.00 72.10 N ATOM 0 H ASN A 25 2.803 8.944 -1.099 1.00 64.53 H new ATOM 0 HA ASN A 25 1.474 6.668 -2.164 1.00 32.43 H new ATOM 0 HB2 ASN A 25 2.517 7.221 0.218 1.00 65.24 H new ATOM 0 HB3 ASN A 25 0.913 7.834 0.564 1.00 65.24 H new ATOM 0 HD21 ASN A 25 1.596 3.782 0.164 1.00 72.10 H new ATOM 0 HD22 ASN A 25 2.807 4.974 -0.320 1.00 72.10 H new ATOM 373 N LEU A 26 -0.330 9.330 -1.502 1.00 74.12 N ATOM 374 CA LEU A 26 -1.641 9.939 -1.694 1.00 11.22 C ATOM 375 C LEU A 26 -2.072 9.856 -3.155 1.00 74.12 C ATOM 376 O LEU A 26 -3.247 9.636 -3.455 1.00 72.32 O ATOM 377 CB LEU A 26 -1.618 11.400 -1.240 1.00 64.31 C ATOM 378 CG LEU A 26 -2.928 11.950 -0.678 1.00 53.41 C ATOM 379 CD1 LEU A 26 -3.130 11.488 0.757 1.00 43.32 C ATOM 380 CD2 LEU A 26 -2.948 13.470 -0.758 1.00 25.40 C ATOM 0 H LEU A 26 0.382 9.966 -1.144 1.00 74.12 H new ATOM 0 HA LEU A 26 -2.362 9.388 -1.090 1.00 11.22 H new ATOM 0 HB2 LEU A 26 -0.845 11.511 -0.479 1.00 64.31 H new ATOM 0 HB3 LEU A 26 -1.322 12.018 -2.088 1.00 64.31 H new ATOM 0 HG LEU A 26 -3.749 11.564 -1.282 1.00 53.41 H new ATOM 0 HD11 LEU A 26 -4.068 11.890 1.140 1.00 43.32 H new ATOM 0 HD12 LEU A 26 -3.162 10.399 0.787 1.00 43.32 H new ATOM 0 HD13 LEU A 26 -2.304 11.844 1.373 1.00 43.32 H new ATOM 0 HD21 LEU A 26 -3.889 13.843 -0.353 1.00 25.40 H new ATOM 0 HD22 LEU A 26 -2.118 13.876 -0.180 1.00 25.40 H new ATOM 0 HD23 LEU A 26 -2.852 13.781 -1.798 1.00 25.40 H new ATOM 392 N LEU A 27 -1.115 10.031 -4.060 1.00 13.14 N ATOM 393 CA LEU A 27 -1.395 9.973 -5.490 1.00 14.02 C ATOM 394 C LEU A 27 -1.908 8.593 -5.889 1.00 14.42 C ATOM 395 O LEU A 27 -2.919 8.472 -6.580 1.00 54.34 O ATOM 396 CB LEU A 27 -0.137 10.313 -6.290 1.00 21.35 C ATOM 397 CG LEU A 27 -0.154 9.920 -7.768 1.00 75.12 C ATOM 398 CD1 LEU A 27 0.623 10.930 -8.598 1.00 32.11 C ATOM 399 CD2 LEU A 27 0.417 8.522 -7.954 1.00 74.24 C ATOM 0 H LEU A 27 -0.139 10.214 -3.829 1.00 13.14 H new ATOM 0 HA LEU A 27 -2.170 10.707 -5.714 1.00 14.02 H new ATOM 0 HB2 LEU A 27 0.033 11.388 -6.222 1.00 21.35 H new ATOM 0 HB3 LEU A 27 0.714 9.825 -5.815 1.00 21.35 H new ATOM 0 HG LEU A 27 -1.188 9.917 -8.112 1.00 75.12 H new ATOM 0 HD11 LEU A 27 0.600 10.634 -9.647 1.00 32.11 H new ATOM 0 HD12 LEU A 27 0.170 11.916 -8.489 1.00 32.11 H new ATOM 0 HD13 LEU A 27 1.657 10.966 -8.254 1.00 32.11 H new ATOM 0 HD21 LEU A 27 0.397 8.259 -9.012 1.00 74.24 H new ATOM 0 HD22 LEU A 27 1.445 8.498 -7.593 1.00 74.24 H new ATOM 0 HD23 LEU A 27 -0.182 7.806 -7.391 1.00 74.24 H new ATOM 411 N ILE A 28 -1.205 7.556 -5.447 1.00 14.30 N ATOM 412 CA ILE A 28 -1.592 6.184 -5.755 1.00 50.40 C ATOM 413 C ILE A 28 -2.920 5.826 -5.097 1.00 13.34 C ATOM 414 O ILE A 28 -3.685 5.018 -5.620 1.00 54.33 O ATOM 415 CB ILE A 28 -0.518 5.180 -5.298 1.00 63.52 C ATOM 416 CG1 ILE A 28 0.817 5.480 -5.985 1.00 74.13 C ATOM 417 CG2 ILE A 28 -0.964 3.756 -5.593 1.00 60.21 C ATOM 418 CD1 ILE A 28 1.947 4.585 -5.524 1.00 44.32 C ATOM 0 H ILE A 28 -0.365 7.639 -4.875 1.00 14.30 H new ATOM 0 HA ILE A 28 -1.698 6.122 -6.838 1.00 50.40 H new ATOM 0 HB ILE A 28 -0.382 5.281 -4.221 1.00 63.52 H new ATOM 0 HG12 ILE A 28 0.695 5.372 -7.063 1.00 74.13 H new ATOM 0 HG13 ILE A 28 1.088 6.519 -5.798 1.00 74.13 H new ATOM 0 HG21 ILE A 28 -0.194 3.058 -5.264 1.00 60.21 H new ATOM 0 HG22 ILE A 28 -1.893 3.548 -5.062 1.00 60.21 H new ATOM 0 HG23 ILE A 28 -1.125 3.640 -6.665 1.00 60.21 H new ATOM 0 HD11 ILE A 28 2.862 4.853 -6.052 1.00 44.32 H new ATOM 0 HD12 ILE A 28 2.096 4.711 -4.452 1.00 44.32 H new ATOM 0 HD13 ILE A 28 1.697 3.545 -5.736 1.00 44.32 H new ATOM 430 N ASN A 29 -3.187 6.435 -3.946 1.00 0.41 N ATOM 431 CA ASN A 29 -4.423 6.182 -3.216 1.00 53.34 C ATOM 432 C ASN A 29 -5.634 6.664 -4.011 1.00 25.20 C ATOM 433 O ASN A 29 -6.692 6.037 -3.992 1.00 21.34 O ATOM 434 CB ASN A 29 -4.386 6.874 -1.852 1.00 44.21 C ATOM 435 CG ASN A 29 -4.616 5.908 -0.706 1.00 61.24 C ATOM 436 OD1 ASN A 29 -3.720 5.660 0.100 1.00 54.11 O ATOM 437 ND2 ASN A 29 -5.821 5.355 -0.631 1.00 43.22 N ATOM 0 H ASN A 29 -2.563 7.107 -3.499 1.00 0.41 H new ATOM 0 HA ASN A 29 -4.513 5.106 -3.067 1.00 53.34 H new ATOM 0 HB2 ASN A 29 -3.421 7.364 -1.722 1.00 44.21 H new ATOM 0 HB3 ASN A 29 -5.146 7.655 -1.823 1.00 44.21 H new ATOM 0 HD21 ASN A 29 -6.034 4.695 0.117 1.00 43.22 H new ATOM 0 HD22 ASN A 29 -6.534 5.590 -1.322 1.00 43.22 H new ATOM 444 N ALA A 30 -5.468 7.784 -4.709 1.00 71.44 N ATOM 445 CA ALA A 30 -6.544 8.348 -5.512 1.00 44.44 C ATOM 446 C ALA A 30 -6.798 7.509 -6.759 1.00 44.33 C ATOM 447 O ALA A 30 -7.942 7.194 -7.087 1.00 35.34 O ATOM 448 CB ALA A 30 -6.218 9.784 -5.897 1.00 73.03 C ATOM 0 H ALA A 30 -4.599 8.317 -4.734 1.00 71.44 H new ATOM 0 HA ALA A 30 -7.453 8.341 -4.911 1.00 44.44 H new ATOM 0 HB1 ALA A 30 -7.031 10.193 -6.497 1.00 73.03 H new ATOM 0 HB2 ALA A 30 -6.095 10.384 -4.995 1.00 73.03 H new ATOM 0 HB3 ALA A 30 -5.294 9.805 -6.475 1.00 73.03 H new ATOM 454 N VAL A 31 -5.723 7.150 -7.454 1.00 64.11 N ATOM 455 CA VAL A 31 -5.829 6.347 -8.666 1.00 60.31 C ATOM 456 C VAL A 31 -6.287 4.928 -8.346 1.00 43.14 C ATOM 457 O VAL A 31 -7.254 4.432 -8.923 1.00 74.14 O ATOM 458 CB VAL A 31 -4.486 6.284 -9.418 1.00 15.33 C ATOM 459 CG1 VAL A 31 -4.686 5.741 -10.825 1.00 21.31 C ATOM 460 CG2 VAL A 31 -3.832 7.657 -9.454 1.00 53.14 C ATOM 0 H VAL A 31 -4.769 7.403 -7.198 1.00 64.11 H new ATOM 0 HA VAL A 31 -6.570 6.831 -9.302 1.00 60.31 H new ATOM 0 HB VAL A 31 -3.822 5.604 -8.885 1.00 15.33 H new ATOM 0 HG11 VAL A 31 -3.726 5.704 -11.341 1.00 21.31 H new ATOM 0 HG12 VAL A 31 -5.108 4.737 -10.771 1.00 21.31 H new ATOM 0 HG13 VAL A 31 -5.367 6.392 -11.373 1.00 21.31 H new ATOM 0 HG21 VAL A 31 -2.884 7.595 -9.989 1.00 53.14 H new ATOM 0 HG22 VAL A 31 -4.491 8.360 -9.963 1.00 53.14 H new ATOM 0 HG23 VAL A 31 -3.652 8.001 -8.436 1.00 53.14 H new ATOM 470 N ASP A 32 -5.585 4.280 -7.423 1.00 42.32 N ATOM 471 CA ASP A 32 -5.920 2.917 -7.024 1.00 3.12 C ATOM 472 C ASP A 32 -7.397 2.806 -6.656 1.00 25.00 C ATOM 473 O ASP A 32 -8.051 1.812 -6.969 1.00 53.15 O ATOM 474 CB ASP A 32 -5.053 2.481 -5.843 1.00 1.15 C ATOM 475 CG ASP A 32 -5.267 1.027 -5.472 1.00 1.51 C ATOM 476 OD1 ASP A 32 -6.417 0.659 -5.153 1.00 32.33 O ATOM 477 OD2 ASP A 32 -4.285 0.256 -5.503 1.00 2.52 O1- ATOM 0 H ASP A 32 -4.781 4.676 -6.937 1.00 42.32 H new ATOM 0 HA ASP A 32 -5.725 2.258 -7.870 1.00 3.12 H new ATOM 0 HB2 ASP A 32 -4.003 2.639 -6.089 1.00 1.15 H new ATOM 0 HB3 ASP A 32 -5.276 3.109 -4.981 1.00 1.15 H new ATOM 482 N LEU A 33 -7.914 3.833 -5.990 1.00 64.04 N ATOM 483 CA LEU A 33 -9.313 3.850 -5.579 1.00 34.14 C ATOM 484 C LEU A 33 -10.232 4.049 -6.780 1.00 3.35 C ATOM 485 O LEU A 33 -11.359 3.557 -6.800 1.00 52.41 O ATOM 486 CB LEU A 33 -9.548 4.959 -4.553 1.00 15.44 C ATOM 487 CG LEU A 33 -10.872 4.896 -3.787 1.00 43.11 C ATOM 488 CD1 LEU A 33 -10.677 5.342 -2.346 1.00 41.15 C ATOM 489 CD2 LEU A 33 -11.927 5.751 -4.474 1.00 62.41 C ATOM 0 H LEU A 33 -7.386 4.664 -5.724 1.00 64.04 H new ATOM 0 HA LEU A 33 -9.545 2.887 -5.125 1.00 34.14 H new ATOM 0 HB2 LEU A 33 -8.732 4.937 -3.831 1.00 15.44 H new ATOM 0 HB3 LEU A 33 -9.494 5.919 -5.066 1.00 15.44 H new ATOM 0 HG LEU A 33 -11.218 3.862 -3.782 1.00 43.11 H new ATOM 0 HD11 LEU A 33 -11.629 5.291 -1.817 1.00 41.15 H new ATOM 0 HD12 LEU A 33 -9.955 4.688 -1.857 1.00 41.15 H new ATOM 0 HD13 LEU A 33 -10.308 6.367 -2.329 1.00 41.15 H new ATOM 0 HD21 LEU A 33 -12.861 5.694 -3.916 1.00 62.41 H new ATOM 0 HD22 LEU A 33 -11.589 6.787 -4.511 1.00 62.41 H new ATOM 0 HD23 LEU A 33 -12.088 5.386 -5.488 1.00 62.41 H new ATOM 501 N ASP A 34 -9.740 4.773 -7.780 1.00 51.54 N ATOM 502 CA ASP A 34 -10.516 5.035 -8.987 1.00 33.33 C ATOM 503 C ASP A 34 -10.746 3.749 -9.775 1.00 34.30 C ATOM 504 O ASP A 34 -11.864 3.464 -10.204 1.00 13.10 O ATOM 505 CB ASP A 34 -9.802 6.064 -9.865 1.00 30.23 C ATOM 506 CG ASP A 34 -10.766 7.026 -10.530 1.00 3.34 C ATOM 507 OD1 ASP A 34 -11.496 6.595 -11.446 1.00 42.40 O1- ATOM 508 OD2 ASP A 34 -10.791 8.211 -10.135 1.00 21.35 O ATOM 0 H ASP A 34 -8.808 5.188 -7.779 1.00 51.54 H new ATOM 0 HA ASP A 34 -11.485 5.435 -8.687 1.00 33.33 H new ATOM 0 HB2 ASP A 34 -9.093 6.627 -9.257 1.00 30.23 H new ATOM 0 HB3 ASP A 34 -9.224 5.546 -10.630 1.00 30.23 H new ATOM 513 N ILE A 35 -9.681 2.977 -9.961 1.00 43.44 N ATOM 514 CA ILE A 35 -9.767 1.722 -10.697 1.00 21.32 C ATOM 515 C ILE A 35 -10.616 0.702 -9.947 1.00 54.21 C ATOM 516 O ILE A 35 -11.412 -0.022 -10.547 1.00 1.44 O ATOM 517 CB ILE A 35 -8.372 1.122 -10.953 1.00 31.11 C ATOM 518 CG1 ILE A 35 -7.613 1.962 -11.982 1.00 62.35 C ATOM 519 CG2 ILE A 35 -8.494 -0.320 -11.423 1.00 22.31 C ATOM 520 CD1 ILE A 35 -6.762 3.050 -11.366 1.00 0.21 C ATOM 0 H ILE A 35 -8.748 3.199 -9.612 1.00 43.44 H new ATOM 0 HA ILE A 35 -10.237 1.950 -11.654 1.00 21.32 H new ATOM 0 HB ILE A 35 -7.811 1.132 -10.019 1.00 31.11 H new ATOM 0 HG12 ILE A 35 -6.976 1.306 -12.575 1.00 62.35 H new ATOM 0 HG13 ILE A 35 -8.329 2.416 -12.667 1.00 62.35 H new ATOM 0 HG21 ILE A 35 -7.500 -0.730 -11.600 1.00 22.31 H new ATOM 0 HG22 ILE A 35 -9.000 -0.910 -10.659 1.00 22.31 H new ATOM 0 HG23 ILE A 35 -9.070 -0.354 -12.348 1.00 22.31 H new ATOM 0 HD11 ILE A 35 -6.253 3.605 -12.155 1.00 0.21 H new ATOM 0 HD12 ILE A 35 -7.396 3.729 -10.796 1.00 0.21 H new ATOM 0 HD13 ILE A 35 -6.022 2.602 -10.703 1.00 0.21 H new ATOM 532 N LYS A 36 -10.445 0.650 -8.630 1.00 22.01 N ATOM 533 CA LYS A 36 -11.197 -0.278 -7.795 1.00 62.11 C ATOM 534 C LYS A 36 -12.698 -0.086 -7.985 1.00 33.02 C ATOM 535 O LYS A 36 -13.458 -1.053 -8.014 1.00 73.13 O ATOM 536 CB LYS A 36 -10.830 -0.084 -6.322 1.00 22.32 C ATOM 537 CG LYS A 36 -11.340 -1.192 -5.417 1.00 5.15 C ATOM 538 CD LYS A 36 -10.434 -1.390 -4.213 1.00 71.01 C ATOM 539 CE LYS A 36 -10.374 -2.851 -3.795 1.00 62.25 C ATOM 540 NZ LYS A 36 -11.556 -3.245 -2.979 1.00 42.44 N1+ ATOM 0 H LYS A 36 -9.791 1.241 -8.118 1.00 22.01 H new ATOM 0 HA LYS A 36 -10.937 -1.292 -8.097 1.00 62.11 H new ATOM 0 HB2 LYS A 36 -9.745 -0.023 -6.232 1.00 22.32 H new ATOM 0 HB3 LYS A 36 -11.233 0.869 -5.978 1.00 22.32 H new ATOM 0 HG2 LYS A 36 -12.348 -0.952 -5.079 1.00 5.15 H new ATOM 0 HG3 LYS A 36 -11.406 -2.122 -5.981 1.00 5.15 H new ATOM 0 HD2 LYS A 36 -9.430 -1.037 -4.450 1.00 71.01 H new ATOM 0 HD3 LYS A 36 -10.796 -0.787 -3.381 1.00 71.01 H new ATOM 0 HE2 LYS A 36 -10.320 -3.481 -4.683 1.00 62.25 H new ATOM 0 HE3 LYS A 36 -9.463 -3.028 -3.223 1.00 62.25 H new ATOM 0 HZ1 LYS A 36 -11.477 -4.248 -2.715 1.00 42.44 H new ATOM 0 HZ2 LYS A 36 -11.594 -2.662 -2.119 1.00 42.44 H new ATOM 0 HZ3 LYS A 36 -12.424 -3.101 -3.533 1.00 42.44 H new ATOM 554 N ASN A 37 -13.118 1.167 -8.115 1.00 1.53 N ATOM 555 CA ASN A 37 -14.529 1.485 -8.304 1.00 2.54 C ATOM 556 C ASN A 37 -15.005 1.051 -9.686 1.00 60.14 C ATOM 557 O ASN A 37 -16.177 0.730 -9.878 1.00 33.03 O ATOM 558 CB ASN A 37 -14.764 2.987 -8.120 1.00 34.41 C ATOM 559 CG ASN A 37 -15.860 3.281 -7.113 1.00 2.10 C ATOM 560 OD1 ASN A 37 -15.595 3.457 -5.925 1.00 33.23 O ATOM 561 ND2 ASN A 37 -17.099 3.337 -7.587 1.00 63.24 N ATOM 0 H ASN A 37 -12.502 1.980 -8.093 1.00 1.53 H new ATOM 0 HA ASN A 37 -15.102 0.939 -7.554 1.00 2.54 H new ATOM 0 HB2 ASN A 37 -13.838 3.460 -7.793 1.00 34.41 H new ATOM 0 HB3 ASN A 37 -15.027 3.431 -9.080 1.00 34.41 H new ATOM 0 HD21 ASN A 37 -17.877 3.533 -6.958 1.00 63.24 H new ATOM 0 HD22 ASN A 37 -17.272 3.184 -8.581 1.00 63.24 H new ATOM 568 N ASN A 38 -14.087 1.041 -10.647 1.00 24.25 N ATOM 569 CA ASN A 38 -14.412 0.645 -12.011 1.00 65.13 C ATOM 570 C ASN A 38 -14.448 -0.875 -12.143 1.00 4.30 C ATOM 571 O ASN A 38 -14.979 -1.411 -13.116 1.00 4.02 O ATOM 572 CB ASN A 38 -13.391 1.229 -12.991 1.00 52.02 C ATOM 573 CG ASN A 38 -13.523 2.733 -13.135 1.00 34.41 C ATOM 574 OD1 ASN A 38 -14.603 3.248 -13.419 1.00 11.30 O ATOM 575 ND2 ASN A 38 -12.419 3.445 -12.938 1.00 34.35 N ATOM 0 H ASN A 38 -13.111 1.303 -10.505 1.00 24.25 H new ATOM 0 HA ASN A 38 -15.401 1.036 -12.250 1.00 65.13 H new ATOM 0 HB2 ASN A 38 -12.384 0.986 -12.650 1.00 52.02 H new ATOM 0 HB3 ASN A 38 -13.519 0.761 -13.967 1.00 52.02 H new ATOM 0 HD21 ASN A 38 -12.446 4.461 -13.021 1.00 34.35 H new ATOM 0 HD22 ASN A 38 -11.544 2.975 -12.704 1.00 34.35 H new ATOM 582 N MET A 39 -13.880 -1.562 -11.158 1.00 74.51 N ATOM 583 CA MET A 39 -13.850 -3.020 -11.163 1.00 22.04 C ATOM 584 C MET A 39 -15.246 -3.593 -11.387 1.00 24.21 C ATOM 585 O MET A 39 -15.397 -4.675 -11.953 1.00 44.21 O ATOM 586 CB MET A 39 -13.277 -3.544 -9.844 1.00 21.22 C ATOM 587 CG MET A 39 -13.014 -5.041 -9.848 1.00 21.55 C ATOM 588 SD MET A 39 -13.482 -5.832 -8.296 1.00 61.44 S ATOM 589 CE MET A 39 -15.231 -6.102 -8.569 1.00 34.24 C ATOM 0 H MET A 39 -13.435 -1.133 -10.347 1.00 74.51 H new ATOM 0 HA MET A 39 -13.209 -3.342 -11.984 1.00 22.04 H new ATOM 0 HB2 MET A 39 -12.346 -3.020 -9.628 1.00 21.22 H new ATOM 0 HB3 MET A 39 -13.970 -3.307 -9.037 1.00 21.22 H new ATOM 0 HG2 MET A 39 -13.567 -5.501 -10.667 1.00 21.55 H new ATOM 0 HG3 MET A 39 -11.956 -5.220 -10.038 1.00 21.55 H new ATOM 0 HE1 MET A 39 -15.665 -6.586 -7.694 1.00 34.24 H new ATOM 0 HE2 MET A 39 -15.725 -5.145 -8.737 1.00 34.24 H new ATOM 0 HE3 MET A 39 -15.369 -6.740 -9.442 1.00 34.24 H new ATOM 1232 N LEU B 179 -10.647 7.348 -14.421 1.00 5.41 N ATOM 1233 CA LEU B 179 -9.625 8.095 -13.695 1.00 72.12 C ATOM 1234 C LEU B 179 -9.734 9.589 -13.984 1.00 24.30 C ATOM 1235 O LEU B 179 -8.743 10.242 -14.305 1.00 52.21 O ATOM 1236 CB LEU B 179 -8.232 7.591 -14.075 1.00 62.43 C ATOM 1237 CG LEU B 179 -8.106 6.087 -14.323 1.00 31.32 C ATOM 1238 CD1 LEU B 179 -6.651 5.702 -14.544 1.00 43.22 C ATOM 1239 CD2 LEU B 179 -8.696 5.304 -13.159 1.00 25.31 C ATOM 0 HA LEU B 179 -9.784 7.938 -12.628 1.00 72.12 H new ATOM 0 HB2 LEU B 179 -7.911 8.115 -14.975 1.00 62.43 H new ATOM 0 HB3 LEU B 179 -7.539 7.867 -13.281 1.00 62.43 H new ATOM 0 HG LEU B 179 -8.667 5.838 -15.224 1.00 31.32 H new ATOM 0 HD11 LEU B 179 -6.581 4.628 -14.719 1.00 43.22 H new ATOM 0 HD12 LEU B 179 -6.261 6.237 -15.410 1.00 43.22 H new ATOM 0 HD13 LEU B 179 -6.067 5.965 -13.662 1.00 43.22 H new ATOM 0 HD21 LEU B 179 -8.598 4.236 -13.352 1.00 25.31 H new ATOM 0 HD22 LEU B 179 -8.163 5.558 -12.243 1.00 25.31 H new ATOM 0 HD23 LEU B 179 -9.750 5.557 -13.047 1.00 25.31 H new ATOM 1251 N ASN B 180 -10.946 10.122 -13.864 1.00 24.23 N ATOM 1252 CA ASN B 180 -11.184 11.540 -14.110 1.00 61.41 C ATOM 1253 C ASN B 180 -10.486 12.400 -13.061 1.00 72.54 C ATOM 1254 O ASN B 180 -9.759 13.334 -13.394 1.00 33.45 O ATOM 1255 CB ASN B 180 -12.685 11.833 -14.109 1.00 51.11 C ATOM 1256 CG ASN B 180 -13.338 11.513 -15.440 1.00 1.22 C ATOM 1257 OD1 ASN B 180 -14.151 10.593 -15.540 1.00 4.35 O ATOM 1258 ND2 ASN B 180 -12.983 12.271 -16.471 1.00 1.34 N ATOM 0 H ASN B 180 -11.777 9.594 -13.598 1.00 24.23 H new ATOM 0 HA ASN B 180 -10.772 11.787 -15.088 1.00 61.41 H new ATOM 0 HB2 ASN B 180 -13.165 11.251 -13.323 1.00 51.11 H new ATOM 0 HB3 ASN B 180 -12.847 12.884 -13.872 1.00 51.11 H new ATOM 0 HD21 ASN B 180 -13.388 12.102 -17.392 1.00 1.34 H new ATOM 0 HD22 ASN B 180 -12.306 13.023 -16.342 1.00 1.34 H new ATOM 1265 N ASN B 181 -10.711 12.074 -11.792 1.00 55.23 N ATOM 1266 CA ASN B 181 -10.104 12.816 -10.693 1.00 44.42 C ATOM 1267 C ASN B 181 -8.589 12.636 -10.687 1.00 44.51 C ATOM 1268 O ASN B 181 -7.846 13.544 -10.312 1.00 74.34 O ATOM 1269 CB ASN B 181 -10.689 12.357 -9.356 1.00 33.32 C ATOM 1270 CG ASN B 181 -12.205 12.400 -9.343 1.00 32.34 C ATOM 1271 OD1 ASN B 181 -12.805 13.398 -8.942 1.00 52.03 O ATOM 1272 ND2 ASN B 181 -12.832 11.315 -9.781 1.00 64.42 N ATOM 0 H ASN B 181 -11.309 11.301 -11.500 1.00 55.23 H new ATOM 0 HA ASN B 181 -10.326 13.874 -10.835 1.00 44.42 H new ATOM 0 HB2 ASN B 181 -10.355 11.341 -9.146 1.00 33.32 H new ATOM 0 HB3 ASN B 181 -10.303 12.990 -8.557 1.00 33.32 H new ATOM 0 HD21 ASN B 181 -13.851 11.286 -9.794 1.00 64.42 H new ATOM 0 HD22 ASN B 181 -12.294 10.511 -10.104 1.00 64.42 H new ATOM 1279 N THR B 182 -8.137 11.458 -11.105 1.00 64.12 N ATOM 1280 CA THR B 182 -6.711 11.158 -11.148 1.00 55.32 C ATOM 1281 C THR B 182 -5.970 12.136 -12.052 1.00 2.50 C ATOM 1282 O THR B 182 -4.911 12.650 -11.692 1.00 2.15 O ATOM 1283 CB THR B 182 -6.454 9.723 -11.645 1.00 43.21 C ATOM 1284 OG1 THR B 182 -7.010 8.779 -10.723 1.00 74.32 O ATOM 1285 CG2 THR B 182 -4.963 9.465 -11.805 1.00 60.34 C ATOM 0 H THR B 182 -8.738 10.696 -11.419 1.00 64.12 H new ATOM 0 HA THR B 182 -6.337 11.255 -10.129 1.00 55.32 H new ATOM 0 HB THR B 182 -6.933 9.607 -12.617 1.00 43.21 H new ATOM 0 HG1 THR B 182 -7.788 8.344 -11.130 1.00 74.32 H new ATOM 0 HG21 THR B 182 -4.806 8.445 -12.157 1.00 60.34 H new ATOM 0 HG22 THR B 182 -4.548 10.167 -12.529 1.00 60.34 H new ATOM 0 HG23 THR B 182 -4.466 9.598 -10.844 1.00 60.34 H new ATOM 1293 N LYS B 183 -6.534 12.393 -13.228 1.00 21.22 N ATOM 1294 CA LYS B 183 -5.928 13.312 -14.183 1.00 72.05 C ATOM 1295 C LYS B 183 -5.684 14.677 -13.546 1.00 74.21 C ATOM 1296 O LYS B 183 -4.650 15.304 -13.774 1.00 24.11 O ATOM 1297 CB LYS B 183 -6.825 13.465 -15.414 1.00 3.11 C ATOM 1298 CG LYS B 183 -6.106 13.204 -16.726 1.00 4.42 C ATOM 1299 CD LYS B 183 -7.086 12.999 -17.869 1.00 14.53 C ATOM 1300 CE LYS B 183 -7.373 11.524 -18.101 1.00 31.23 C ATOM 1301 NZ LYS B 183 -8.827 11.220 -18.008 1.00 54.43 N1+ ATOM 0 H LYS B 183 -7.411 11.977 -13.542 1.00 21.22 H new ATOM 0 HA LYS B 183 -4.968 12.897 -14.489 1.00 72.05 H new ATOM 0 HB2 LYS B 183 -7.667 12.778 -15.328 1.00 3.11 H new ATOM 0 HB3 LYS B 183 -7.237 14.474 -15.430 1.00 3.11 H new ATOM 0 HG2 LYS B 183 -5.449 14.043 -16.955 1.00 4.42 H new ATOM 0 HG3 LYS B 183 -5.473 12.322 -16.626 1.00 4.42 H new ATOM 0 HD2 LYS B 183 -8.017 13.521 -17.649 1.00 14.53 H new ATOM 0 HD3 LYS B 183 -6.681 13.439 -18.780 1.00 14.53 H new ATOM 0 HE2 LYS B 183 -7.003 11.233 -19.084 1.00 31.23 H new ATOM 0 HE3 LYS B 183 -6.830 10.929 -17.367 1.00 31.23 H new ATOM 0 HZ1 LYS B 183 -8.981 10.205 -18.172 1.00 54.43 H new ATOM 0 HZ2 LYS B 183 -9.175 11.474 -17.061 1.00 54.43 H new ATOM 0 HZ3 LYS B 183 -9.343 11.769 -18.725 1.00 54.43 H new ATOM 1315 N LYS B 184 -6.643 15.130 -12.746 1.00 11.15 N ATOM 1316 CA LYS B 184 -6.532 16.418 -12.073 1.00 1.42 C ATOM 1317 C LYS B 184 -5.497 16.362 -10.954 1.00 25.41 C ATOM 1318 O LYS B 184 -4.768 17.326 -10.718 1.00 55.24 O ATOM 1319 CB LYS B 184 -7.889 16.839 -11.504 1.00 53.22 C ATOM 1320 CG LYS B 184 -8.063 18.344 -11.395 1.00 15.15 C ATOM 1321 CD LYS B 184 -8.296 18.979 -12.755 1.00 62.42 C ATOM 1322 CE LYS B 184 -9.690 19.576 -12.862 1.00 1.35 C ATOM 1323 NZ LYS B 184 -9.721 20.995 -12.409 1.00 42.44 N1+ ATOM 0 H LYS B 184 -7.506 14.624 -12.548 1.00 11.15 H new ATOM 0 HA LYS B 184 -6.208 17.155 -12.808 1.00 1.42 H new ATOM 0 HB2 LYS B 184 -8.680 16.435 -12.136 1.00 53.22 H new ATOM 0 HB3 LYS B 184 -8.013 16.395 -10.516 1.00 53.22 H new ATOM 0 HG2 LYS B 184 -8.905 18.567 -10.739 1.00 15.15 H new ATOM 0 HG3 LYS B 184 -7.177 18.781 -10.936 1.00 15.15 H new ATOM 0 HD2 LYS B 184 -7.552 19.757 -12.926 1.00 62.42 H new ATOM 0 HD3 LYS B 184 -8.159 18.230 -13.535 1.00 62.42 H new ATOM 0 HE2 LYS B 184 -10.032 19.517 -13.895 1.00 1.35 H new ATOM 0 HE3 LYS B 184 -10.384 18.988 -12.262 1.00 1.35 H new ATOM 0 HZ1 LYS B 184 -10.688 21.366 -12.497 1.00 42.44 H new ATOM 0 HZ2 LYS B 184 -9.419 21.049 -11.415 1.00 42.44 H new ATOM 0 HZ3 LYS B 184 -9.078 21.562 -12.998 1.00 42.44 H new ATOM 1337 N VAL B 185 -5.433 15.224 -10.270 1.00 74.11 N ATOM 1338 CA VAL B 185 -4.485 15.040 -9.178 1.00 12.01 C ATOM 1339 C VAL B 185 -3.052 15.000 -9.697 1.00 74.51 C ATOM 1340 O VAL B 185 -2.165 15.659 -9.154 1.00 14.03 O ATOM 1341 CB VAL B 185 -4.773 13.744 -8.396 1.00 62.20 C ATOM 1342 CG1 VAL B 185 -3.805 13.596 -7.232 1.00 45.21 C ATOM 1343 CG2 VAL B 185 -6.213 13.726 -7.908 1.00 54.53 C ATOM 0 H VAL B 185 -6.027 14.415 -10.453 1.00 74.11 H new ATOM 0 HA VAL B 185 -4.603 15.892 -8.509 1.00 12.01 H new ATOM 0 HB VAL B 185 -4.630 12.896 -9.066 1.00 62.20 H new ATOM 0 HG11 VAL B 185 -4.024 12.675 -6.692 1.00 45.21 H new ATOM 0 HG12 VAL B 185 -2.783 13.561 -7.611 1.00 45.21 H new ATOM 0 HG13 VAL B 185 -3.913 14.446 -6.559 1.00 45.21 H new ATOM 0 HG21 VAL B 185 -6.399 12.804 -7.358 1.00 54.53 H new ATOM 0 HG22 VAL B 185 -6.386 14.580 -7.254 1.00 54.53 H new ATOM 0 HG23 VAL B 185 -6.887 13.781 -8.762 1.00 54.53 H new ATOM 1353 N ALA B 186 -2.831 14.221 -10.751 1.00 41.31 N ATOM 1354 CA ALA B 186 -1.505 14.097 -11.345 1.00 53.34 C ATOM 1355 C ALA B 186 -1.112 15.374 -12.081 1.00 74.53 C ATOM 1356 O ALA B 186 0.071 15.668 -12.241 1.00 23.04 O ATOM 1357 CB ALA B 186 -1.461 12.906 -12.290 1.00 75.42 C ATOM 0 H ALA B 186 -3.553 13.666 -11.211 1.00 41.31 H new ATOM 0 HA ALA B 186 -0.786 13.936 -10.541 1.00 53.34 H new ATOM 0 HB1 ALA B 186 -0.466 12.825 -12.727 1.00 75.42 H new ATOM 0 HB2 ALA B 186 -1.691 11.995 -11.738 1.00 75.42 H new ATOM 0 HB3 ALA B 186 -2.195 13.044 -13.084 1.00 75.42 H new ATOM 1363 N ASN B 187 -2.113 16.126 -12.527 1.00 44.11 N ATOM 1364 CA ASN B 187 -1.870 17.370 -13.248 1.00 10.33 C ATOM 1365 C ASN B 187 -1.854 18.559 -12.292 1.00 1.12 C ATOM 1366 O ASN B 187 -1.947 19.711 -12.715 1.00 62.42 O ATOM 1367 CB ASN B 187 -2.941 17.580 -14.321 1.00 70.51 C ATOM 1368 CG ASN B 187 -2.601 18.719 -15.262 1.00 51.21 C ATOM 1369 OD1 ASN B 187 -3.140 19.820 -15.142 1.00 42.15 O ATOM 1370 ND2 ASN B 187 -1.703 18.460 -16.206 1.00 72.44 N ATOM 0 H ASN B 187 -3.099 15.896 -12.402 1.00 44.11 H new ATOM 0 HA ASN B 187 -0.894 17.298 -13.727 1.00 10.33 H new ATOM 0 HB2 ASN B 187 -3.061 16.661 -14.895 1.00 70.51 H new ATOM 0 HB3 ASN B 187 -3.898 17.783 -13.840 1.00 70.51 H new ATOM 0 HD21 ASN B 187 -1.435 19.188 -16.868 1.00 72.44 H new ATOM 0 HD22 ASN B 187 -1.282 17.533 -16.269 1.00 72.44 H new ATOM 1377 N ALA B 188 -1.734 18.270 -11.000 1.00 12.22 N ATOM 1378 CA ALA B 188 -1.703 19.314 -9.984 1.00 13.12 C ATOM 1379 C ALA B 188 -0.270 19.643 -9.578 1.00 44.51 C ATOM 1380 O ALA B 188 0.052 20.793 -9.278 1.00 24.42 O ATOM 1381 CB ALA B 188 -2.514 18.891 -8.768 1.00 20.34 C ATOM 0 H ALA B 188 -1.657 17.322 -10.633 1.00 12.22 H new ATOM 0 HA ALA B 188 -2.148 20.214 -10.409 1.00 13.12 H new ATOM 0 HB1 ALA B 188 -2.482 19.680 -8.017 1.00 20.34 H new ATOM 0 HB2 ALA B 188 -3.548 18.713 -9.064 1.00 20.34 H new ATOM 0 HB3 ALA B 188 -2.094 17.976 -8.351 1.00 20.34 H new ATOM 1387 N PHE B 189 0.586 18.627 -9.572 1.00 75.51 N ATOM 1388 CA PHE B 189 1.984 18.808 -9.201 1.00 64.34 C ATOM 1389 C PHE B 189 2.651 19.856 -10.088 1.00 41.34 C ATOM 1390 O PHE B 189 3.624 20.495 -9.690 1.00 74.54 O ATOM 1391 CB PHE B 189 2.738 17.481 -9.307 1.00 61.44 C ATOM 1392 CG PHE B 189 2.359 16.490 -8.245 1.00 34.14 C ATOM 1393 CD1 PHE B 189 2.228 16.887 -6.924 1.00 34.44 C ATOM 1394 CD2 PHE B 189 2.134 15.160 -8.566 1.00 45.22 C ATOM 1395 CE1 PHE B 189 1.878 15.977 -5.943 1.00 21.33 C ATOM 1396 CE2 PHE B 189 1.784 14.247 -7.590 1.00 52.12 C ATOM 1397 CZ PHE B 189 1.658 14.655 -6.277 1.00 55.51 C ATOM 0 H PHE B 189 0.336 17.670 -9.820 1.00 75.51 H new ATOM 0 HA PHE B 189 2.017 19.156 -8.169 1.00 64.34 H new ATOM 0 HB2 PHE B 189 2.549 17.042 -10.287 1.00 61.44 H new ATOM 0 HB3 PHE B 189 3.809 17.675 -9.246 1.00 61.44 H new ATOM 0 HD1 PHE B 189 2.401 17.919 -6.657 1.00 34.44 H new ATOM 0 HD2 PHE B 189 2.234 14.834 -9.591 1.00 45.22 H new ATOM 0 HE1 PHE B 189 1.777 16.300 -4.917 1.00 21.33 H new ATOM 0 HE2 PHE B 189 1.609 13.214 -7.854 1.00 52.12 H new ATOM 0 HZ PHE B 189 1.388 13.942 -5.512 1.00 55.51 H new ATOM 1407 N GLY B 190 2.119 20.027 -11.295 1.00 75.25 N ATOM 1408 CA GLY B 190 2.673 20.997 -12.220 1.00 4.04 C ATOM 1409 C GLY B 190 3.718 20.393 -13.137 1.00 34.45 C ATOM 1410 O GLY B 190 4.876 20.228 -12.747 1.00 54.52 O ATOM 0 H GLY B 190 1.314 19.510 -11.648 1.00 75.25 H new ATOM 0 HA2 GLY B 190 1.869 21.422 -12.821 1.00 4.04 H new ATOM 0 HA3 GLY B 190 3.118 21.818 -11.658 1.00 4.04 H new ATOM 1414 N LEU B 191 3.312 20.059 -14.356 1.00 20.12 N ATOM 1415 CA LEU B 191 4.222 19.467 -15.330 1.00 50.54 C ATOM 1416 C LEU B 191 3.939 19.999 -16.732 1.00 64.24 C ATOM 1417 O LEU B 191 4.690 20.820 -17.257 1.00 12.30 O ATOM 1418 CB LEU B 191 4.094 17.942 -15.317 1.00 2.01 C ATOM 1419 CG LEU B 191 4.513 17.246 -14.021 1.00 40.43 C ATOM 1420 CD1 LEU B 191 3.403 16.333 -13.524 1.00 30.32 C ATOM 1421 CD2 LEU B 191 5.799 16.461 -14.229 1.00 11.31 C ATOM 0 H LEU B 191 2.358 20.188 -14.694 1.00 20.12 H new ATOM 0 HA LEU B 191 5.240 19.743 -15.054 1.00 50.54 H new ATOM 0 HB2 LEU B 191 3.056 17.682 -15.527 1.00 2.01 H new ATOM 0 HB3 LEU B 191 4.694 17.540 -16.133 1.00 2.01 H new ATOM 0 HG LEU B 191 4.695 18.008 -13.264 1.00 40.43 H new ATOM 0 HD11 LEU B 191 3.718 15.846 -12.601 1.00 30.32 H new ATOM 0 HD12 LEU B 191 2.505 16.921 -13.335 1.00 30.32 H new ATOM 0 HD13 LEU B 191 3.189 15.576 -14.279 1.00 30.32 H new ATOM 0 HD21 LEU B 191 6.082 15.973 -13.297 1.00 11.31 H new ATOM 0 HD22 LEU B 191 5.644 15.707 -15.001 1.00 11.31 H new ATOM 0 HD23 LEU B 191 6.594 17.140 -14.539 1.00 11.31 H new ATOM 1433 N ASN B 192 2.852 19.526 -17.331 1.00 52.34 N ATOM 1434 CA ASN B 192 2.470 19.955 -18.672 1.00 11.53 C ATOM 1435 C ASN B 192 1.179 19.273 -19.114 1.00 13.41 C ATOM 1436 O ASN B 192 0.118 19.896 -19.150 1.00 41.21 O ATOM 1437 CB ASN B 192 3.589 19.646 -19.668 1.00 4.41 C ATOM 1438 CG ASN B 192 4.320 20.895 -20.120 1.00 45.25 C ATOM 1439 OD1 ASN B 192 3.708 21.940 -20.344 1.00 42.04 O ATOM 1440 ND2 ASN B 192 5.637 20.792 -20.260 1.00 22.33 N ATOM 0 H ASN B 192 2.220 18.846 -16.910 1.00 52.34 H new ATOM 0 HA ASN B 192 2.302 21.032 -18.647 1.00 11.53 H new ATOM 0 HB2 ASN B 192 4.300 18.958 -19.210 1.00 4.41 H new ATOM 0 HB3 ASN B 192 3.169 19.139 -20.537 1.00 4.41 H new ATOM 0 HD21 ASN B 192 6.182 21.599 -20.564 1.00 22.33 H new ATOM 0 HD22 ASN B 192 6.103 19.906 -20.063 1.00 22.33 H new ATOM 1447 N GLU B 193 1.277 17.991 -19.448 1.00 62.13 N ATOM 1448 CA GLU B 193 0.117 17.225 -19.888 1.00 73.33 C ATOM 1449 C GLU B 193 0.496 15.772 -20.162 1.00 53.52 C ATOM 1450 O GLU B 193 -0.232 14.851 -19.795 1.00 30.33 O ATOM 1451 CB GLU B 193 -0.488 17.851 -21.147 1.00 12.33 C ATOM 1452 CG GLU B 193 0.523 18.093 -22.254 1.00 31.40 C ATOM 1453 CD GLU B 193 -0.043 18.919 -23.392 1.00 53.04 C ATOM 1454 OE1 GLU B 193 -0.199 20.146 -23.214 1.00 75.54 O ATOM 1455 OE2 GLU B 193 -0.331 18.339 -24.459 1.00 44.35 O1- ATOM 0 H GLU B 193 2.148 17.460 -19.422 1.00 62.13 H new ATOM 0 HA GLU B 193 -0.624 17.245 -19.088 1.00 73.33 H new ATOM 0 HB2 GLU B 193 -1.277 17.199 -21.523 1.00 12.33 H new ATOM 0 HB3 GLU B 193 -0.957 18.799 -20.882 1.00 12.33 H new ATOM 0 HG2 GLU B 193 1.394 18.601 -21.840 1.00 31.40 H new ATOM 0 HG3 GLU B 193 0.867 17.134 -22.642 1.00 31.40 H new ATOM 1462 N GLU B 194 1.639 15.577 -20.811 1.00 45.51 N ATOM 1463 CA GLU B 194 2.114 14.237 -21.136 1.00 11.41 C ATOM 1464 C GLU B 194 2.571 13.503 -19.879 1.00 62.11 C ATOM 1465 O GLU B 194 2.336 12.304 -19.727 1.00 64.45 O ATOM 1466 CB GLU B 194 3.263 14.309 -22.144 1.00 74.14 C ATOM 1467 CG GLU B 194 3.483 13.015 -22.909 1.00 23.43 C ATOM 1468 CD GLU B 194 4.625 13.111 -23.901 1.00 44.12 C ATOM 1469 OE1 GLU B 194 5.692 13.644 -23.529 1.00 53.14 O ATOM 1470 OE2 GLU B 194 4.453 12.655 -25.052 1.00 15.23 O1- ATOM 0 H GLU B 194 2.253 16.329 -21.122 1.00 45.51 H new ATOM 0 HA GLU B 194 1.286 13.683 -21.579 1.00 11.41 H new ATOM 0 HB2 GLU B 194 3.063 15.111 -22.854 1.00 74.14 H new ATOM 0 HB3 GLU B 194 4.181 14.571 -21.618 1.00 74.14 H new ATOM 0 HG2 GLU B 194 3.687 12.210 -22.203 1.00 23.43 H new ATOM 0 HG3 GLU B 194 2.568 12.750 -23.439 1.00 23.43 H new ATOM 1477 N ASP B 195 3.225 14.230 -18.980 1.00 10.22 N ATOM 1478 CA ASP B 195 3.715 13.650 -17.736 1.00 53.23 C ATOM 1479 C ASP B 195 2.565 13.074 -16.915 1.00 14.04 C ATOM 1480 O ASP B 195 2.719 12.056 -16.238 1.00 3.31 O ATOM 1481 CB ASP B 195 4.465 14.702 -16.917 1.00 64.21 C ATOM 1482 CG ASP B 195 5.500 15.445 -17.739 1.00 64.33 C ATOM 1483 OD1 ASP B 195 6.646 14.958 -17.829 1.00 43.02 O1- ATOM 1484 OD2 ASP B 195 5.164 16.513 -18.292 1.00 1.32 O ATOM 0 H ASP B 195 3.428 15.223 -19.090 1.00 10.22 H new ATOM 0 HA ASP B 195 4.400 12.841 -17.987 1.00 53.23 H new ATOM 0 HB2 ASP B 195 3.751 15.416 -16.506 1.00 64.21 H new ATOM 0 HB3 ASP B 195 4.955 14.219 -16.072 1.00 64.21 H new ATOM 1489 N THR B 196 1.412 13.732 -16.978 1.00 12.34 N ATOM 1490 CA THR B 196 0.236 13.288 -16.239 1.00 25.14 C ATOM 1491 C THR B 196 -0.315 11.988 -16.812 1.00 65.44 C ATOM 1492 O THR B 196 -0.589 11.041 -16.077 1.00 64.40 O ATOM 1493 CB THR B 196 -0.874 14.355 -16.256 1.00 52.21 C ATOM 1494 OG1 THR B 196 -0.402 15.564 -15.652 1.00 74.21 O ATOM 1495 CG2 THR B 196 -2.110 13.861 -15.518 1.00 3.23 C ATOM 0 H THR B 196 1.267 14.575 -17.534 1.00 12.34 H new ATOM 0 HA THR B 196 0.554 13.122 -15.210 1.00 25.14 H new ATOM 0 HB THR B 196 -1.144 14.551 -17.294 1.00 52.21 H new ATOM 0 HG1 THR B 196 0.142 16.062 -16.298 1.00 74.21 H new ATOM 0 HG21 THR B 196 -2.881 14.631 -15.543 1.00 3.23 H new ATOM 0 HG22 THR B 196 -2.484 12.957 -15.999 1.00 3.23 H new ATOM 0 HG23 THR B 196 -1.851 13.640 -14.482 1.00 3.23 H new ATOM 1503 N ASN B 197 -0.472 11.948 -18.132 1.00 1.24 N ATOM 1504 CA ASN B 197 -0.991 10.763 -18.805 1.00 1.11 C ATOM 1505 C ASN B 197 0.003 9.608 -18.714 1.00 44.52 C ATOM 1506 O ASN B 197 -0.387 8.451 -18.553 1.00 73.13 O ATOM 1507 CB ASN B 197 -1.295 11.075 -20.272 1.00 4.24 C ATOM 1508 CG ASN B 197 -2.777 11.273 -20.525 1.00 24.32 C ATOM 1509 OD1 ASN B 197 -3.255 12.402 -20.626 1.00 33.24 O ATOM 1510 ND2 ASN B 197 -3.510 10.171 -20.631 1.00 41.22 N ATOM 0 H ASN B 197 -0.247 12.723 -18.756 1.00 1.24 H new ATOM 0 HA ASN B 197 -1.913 10.466 -18.306 1.00 1.11 H new ATOM 0 HB2 ASN B 197 -0.755 11.974 -20.569 1.00 4.24 H new ATOM 0 HB3 ASN B 197 -0.928 10.261 -20.897 1.00 4.24 H new ATOM 0 HD21 ASN B 197 -4.513 10.240 -20.803 1.00 41.22 H new ATOM 0 HD22 ASN B 197 -3.070 9.255 -20.540 1.00 41.22 H new ATOM 1517 N LEU B 198 1.287 9.930 -18.818 1.00 4.44 N ATOM 1518 CA LEU B 198 2.337 8.921 -18.747 1.00 22.01 C ATOM 1519 C LEU B 198 2.306 8.196 -17.406 1.00 35.43 C ATOM 1520 O LEU B 198 2.523 6.985 -17.337 1.00 50.41 O ATOM 1521 CB LEU B 198 3.708 9.566 -18.958 1.00 42.04 C ATOM 1522 CG LEU B 198 4.841 8.620 -19.357 1.00 45.10 C ATOM 1523 CD1 LEU B 198 5.154 8.757 -20.839 1.00 54.14 C ATOM 1524 CD2 LEU B 198 6.083 8.893 -18.521 1.00 42.21 C ATOM 0 H LEU B 198 1.626 10.883 -18.952 1.00 4.44 H new ATOM 0 HA LEU B 198 2.159 8.192 -19.538 1.00 22.01 H new ATOM 0 HB2 LEU B 198 3.612 10.331 -19.728 1.00 42.04 H new ATOM 0 HB3 LEU B 198 3.994 10.074 -18.037 1.00 42.04 H new ATOM 0 HG LEU B 198 4.517 7.597 -19.168 1.00 45.10 H new ATOM 0 HD11 LEU B 198 5.963 8.076 -21.105 1.00 54.14 H new ATOM 0 HD12 LEU B 198 4.267 8.511 -21.422 1.00 54.14 H new ATOM 0 HD13 LEU B 198 5.457 9.782 -21.054 1.00 54.14 H new ATOM 0 HD21 LEU B 198 6.879 8.211 -18.819 1.00 42.21 H new ATOM 0 HD22 LEU B 198 6.409 9.921 -18.678 1.00 42.21 H new ATOM 0 HD23 LEU B 198 5.852 8.743 -17.466 1.00 42.21 H new ATOM 1536 N LEU B 199 2.032 8.942 -16.342 1.00 34.45 N ATOM 1537 CA LEU B 199 1.969 8.370 -15.001 1.00 22.34 C ATOM 1538 C LEU B 199 0.743 7.477 -14.847 1.00 74.32 C ATOM 1539 O LEU B 199 0.844 6.344 -14.374 1.00 53.21 O ATOM 1540 CB LEU B 199 1.939 9.482 -13.951 1.00 52.50 C ATOM 1541 CG LEU B 199 1.604 9.049 -12.523 1.00 45.10 C ATOM 1542 CD1 LEU B 199 2.752 9.380 -11.583 1.00 75.42 C ATOM 1543 CD2 LEU B 199 0.319 9.713 -12.052 1.00 42.43 C ATOM 0 H LEU B 199 1.850 9.945 -16.381 1.00 34.45 H new ATOM 0 HA LEU B 199 2.860 7.761 -14.851 1.00 22.34 H new ATOM 0 HB2 LEU B 199 2.913 9.972 -13.942 1.00 52.50 H new ATOM 0 HB3 LEU B 199 1.209 10.229 -14.263 1.00 52.50 H new ATOM 0 HG LEU B 199 1.455 7.969 -12.516 1.00 45.10 H new ATOM 0 HD11 LEU B 199 2.496 9.065 -10.571 1.00 75.42 H new ATOM 0 HD12 LEU B 199 3.651 8.858 -11.909 1.00 75.42 H new ATOM 0 HD13 LEU B 199 2.933 10.455 -11.594 1.00 75.42 H new ATOM 0 HD21 LEU B 199 0.096 9.393 -11.034 1.00 42.43 H new ATOM 0 HD22 LEU B 199 0.440 10.796 -12.074 1.00 42.43 H new ATOM 0 HD23 LEU B 199 -0.501 9.426 -12.710 1.00 42.43 H new ATOM 1555 N ILE B 200 -0.413 7.992 -15.252 1.00 31.43 N ATOM 1556 CA ILE B 200 -1.658 7.239 -15.162 1.00 73.23 C ATOM 1557 C ILE B 200 -1.564 5.927 -15.934 1.00 12.44 C ATOM 1558 O ILE B 200 -2.197 4.936 -15.572 1.00 71.23 O ATOM 1559 CB ILE B 200 -2.849 8.054 -15.700 1.00 60.35 C ATOM 1560 CG1 ILE B 200 -3.075 9.298 -14.839 1.00 25.41 C ATOM 1561 CG2 ILE B 200 -4.104 7.195 -15.739 1.00 51.00 C ATOM 1562 CD1 ILE B 200 -4.242 10.146 -15.295 1.00 73.54 C ATOM 0 H ILE B 200 -0.513 8.928 -15.646 1.00 31.43 H new ATOM 0 HA ILE B 200 -1.822 7.025 -14.106 1.00 73.23 H new ATOM 0 HB ILE B 200 -2.620 8.376 -16.716 1.00 60.35 H new ATOM 0 HG12 ILE B 200 -3.242 8.990 -13.807 1.00 25.41 H new ATOM 0 HG13 ILE B 200 -2.170 9.905 -14.848 1.00 25.41 H new ATOM 0 HG21 ILE B 200 -4.937 7.785 -16.121 1.00 51.00 H new ATOM 0 HG22 ILE B 200 -3.938 6.337 -16.391 1.00 51.00 H new ATOM 0 HG23 ILE B 200 -4.338 6.847 -14.733 1.00 51.00 H new ATOM 0 HD11 ILE B 200 -4.342 11.010 -14.638 1.00 73.54 H new ATOM 0 HD12 ILE B 200 -4.069 10.485 -16.316 1.00 73.54 H new ATOM 0 HD13 ILE B 200 -5.157 9.555 -15.259 1.00 73.54 H new ATOM 1574 N ASN B 201 -0.768 5.929 -16.997 1.00 23.41 N ATOM 1575 CA ASN B 201 -0.589 4.738 -17.821 1.00 35.04 C ATOM 1576 C ASN B 201 0.066 3.616 -17.019 1.00 4.41 C ATOM 1577 O ASN B 201 -0.318 2.453 -17.133 1.00 24.53 O ATOM 1578 CB ASN B 201 0.260 5.064 -19.049 1.00 44.03 C ATOM 1579 CG ASN B 201 -0.543 5.021 -20.336 1.00 11.35 C ATOM 1580 OD1 ASN B 201 -0.916 3.949 -20.812 1.00 13.33 O ATOM 1581 ND2 ASN B 201 -0.813 6.191 -20.903 1.00 50.03 N ATOM 0 H ASN B 201 -0.236 6.742 -17.309 1.00 23.41 H new ATOM 0 HA ASN B 201 -1.573 4.402 -18.148 1.00 35.04 H new ATOM 0 HB2 ASN B 201 0.699 6.055 -18.931 1.00 44.03 H new ATOM 0 HB3 ASN B 201 1.085 4.355 -19.115 1.00 44.03 H new ATOM 0 HD21 ASN B 201 -1.350 6.226 -21.769 1.00 50.03 H new ATOM 0 HD22 ASN B 201 -0.483 7.055 -20.472 1.00 50.03 H new ATOM 1588 N ALA B 202 1.056 3.976 -16.209 1.00 51.02 N ATOM 1589 CA ALA B 202 1.763 3.001 -15.387 1.00 14.34 C ATOM 1590 C ALA B 202 0.902 2.545 -14.214 1.00 52.15 C ATOM 1591 O ALA B 202 0.888 1.364 -13.864 1.00 5.21 O ATOM 1592 CB ALA B 202 3.075 3.587 -14.885 1.00 55.04 C ATOM 0 H ALA B 202 1.387 4.935 -16.104 1.00 51.02 H new ATOM 0 HA ALA B 202 1.980 2.130 -16.005 1.00 14.34 H new ATOM 0 HB1 ALA B 202 3.593 2.849 -14.273 1.00 55.04 H new ATOM 0 HB2 ALA B 202 3.702 3.857 -15.735 1.00 55.04 H new ATOM 0 HB3 ALA B 202 2.872 4.476 -14.287 1.00 55.04 H new ATOM 1598 N VAL B 203 0.185 3.487 -13.611 1.00 34.12 N ATOM 1599 CA VAL B 203 -0.680 3.181 -12.477 1.00 3.14 C ATOM 1600 C VAL B 203 -1.866 2.326 -12.907 1.00 15.13 C ATOM 1601 O VAL B 203 -2.132 1.275 -12.321 1.00 2.33 O ATOM 1602 CB VAL B 203 -1.203 4.466 -11.807 1.00 55.31 C ATOM 1603 CG1 VAL B 203 -1.843 4.145 -10.465 1.00 52.51 C ATOM 1604 CG2 VAL B 203 -0.078 5.476 -11.643 1.00 4.43 C ATOM 0 H VAL B 203 0.186 4.469 -13.888 1.00 34.12 H new ATOM 0 HA VAL B 203 -0.077 2.626 -11.759 1.00 3.14 H new ATOM 0 HB VAL B 203 -1.965 4.907 -12.450 1.00 55.31 H new ATOM 0 HG11 VAL B 203 -2.207 5.064 -10.006 1.00 52.51 H new ATOM 0 HG12 VAL B 203 -2.677 3.459 -10.614 1.00 52.51 H new ATOM 0 HG13 VAL B 203 -1.104 3.681 -9.811 1.00 52.51 H new ATOM 0 HG21 VAL B 203 -0.465 6.378 -11.168 1.00 4.43 H new ATOM 0 HG22 VAL B 203 0.708 5.047 -11.021 1.00 4.43 H new ATOM 0 HG23 VAL B 203 0.330 5.728 -12.622 1.00 4.43 H new ATOM 1614 N ASP B 204 -2.577 2.781 -13.932 1.00 71.23 N ATOM 1615 CA ASP B 204 -3.736 2.057 -14.441 1.00 25.41 C ATOM 1616 C ASP B 204 -3.336 0.668 -14.933 1.00 21.05 C ATOM 1617 O ASP B 204 -3.960 -0.331 -14.575 1.00 62.44 O ATOM 1618 CB ASP B 204 -4.397 2.841 -15.576 1.00 23.44 C ATOM 1619 CG ASP B 204 -5.303 1.975 -16.427 1.00 50.24 C ATOM 1620 OD1 ASP B 204 -6.184 1.298 -15.857 1.00 64.24 O ATOM 1621 OD2 ASP B 204 -5.132 1.975 -17.664 1.00 44.32 O1- ATOM 0 H ASP B 204 -2.371 3.649 -14.427 1.00 71.23 H new ATOM 0 HA ASP B 204 -4.449 1.944 -13.624 1.00 25.41 H new ATOM 0 HB2 ASP B 204 -4.975 3.664 -15.156 1.00 23.44 H new ATOM 0 HB3 ASP B 204 -3.625 3.283 -16.206 1.00 23.44 H new ATOM 1626 N LEU B 205 -2.292 0.615 -15.752 1.00 70.44 N ATOM 1627 CA LEU B 205 -1.810 -0.650 -16.294 1.00 24.53 C ATOM 1628 C LEU B 205 -1.349 -1.580 -15.176 1.00 62.55 C ATOM 1629 O LEU B 205 -1.573 -2.790 -15.229 1.00 43.34 O ATOM 1630 CB LEU B 205 -0.659 -0.403 -17.273 1.00 54.42 C ATOM 1631 CG LEU B 205 -0.224 -1.604 -18.113 1.00 64.23 C ATOM 1632 CD1 LEU B 205 -1.406 -2.181 -18.875 1.00 42.55 C ATOM 1633 CD2 LEU B 205 0.889 -1.208 -19.072 1.00 21.31 C ATOM 0 H LEU B 205 -1.763 1.433 -16.055 1.00 70.44 H new ATOM 0 HA LEU B 205 -2.634 -1.128 -16.824 1.00 24.53 H new ATOM 0 HB2 LEU B 205 -0.949 0.402 -17.949 1.00 54.42 H new ATOM 0 HB3 LEU B 205 0.203 -0.049 -16.708 1.00 54.42 H new ATOM 0 HG LEU B 205 0.158 -2.373 -17.441 1.00 64.23 H new ATOM 0 HD11 LEU B 205 -1.076 -3.035 -19.467 1.00 42.55 H new ATOM 0 HD12 LEU B 205 -2.172 -2.503 -18.169 1.00 42.55 H new ATOM 0 HD13 LEU B 205 -1.819 -1.419 -19.536 1.00 42.55 H new ATOM 0 HD21 LEU B 205 1.186 -2.075 -19.662 1.00 21.31 H new ATOM 0 HD22 LEU B 205 0.533 -0.421 -19.737 1.00 21.31 H new ATOM 0 HD23 LEU B 205 1.746 -0.844 -18.505 1.00 21.31 H new ATOM 1645 N ASP B 206 -0.706 -1.008 -14.164 1.00 50.22 N ATOM 1646 CA ASP B 206 -0.217 -1.786 -13.031 1.00 3.42 C ATOM 1647 C ASP B 206 -1.371 -2.463 -12.299 1.00 21.14 C ATOM 1648 O ASP B 206 -1.303 -3.650 -11.978 1.00 61.02 O ATOM 1649 CB ASP B 206 0.560 -0.887 -12.067 1.00 13.31 C ATOM 1650 CG ASP B 206 2.031 -0.794 -12.419 1.00 42.14 C ATOM 1651 OD1 ASP B 206 2.385 -1.103 -13.576 1.00 42.53 O ATOM 1652 OD2 ASP B 206 2.828 -0.411 -11.538 1.00 43.02 O1- ATOM 0 H ASP B 206 -0.511 -0.009 -14.105 1.00 50.22 H new ATOM 0 HA ASP B 206 0.450 -2.559 -13.412 1.00 3.42 H new ATOM 0 HB2 ASP B 206 0.124 0.112 -12.075 1.00 13.31 H new ATOM 0 HB3 ASP B 206 0.456 -1.272 -11.053 1.00 13.31 H new ATOM 1657 N ILE B 207 -2.427 -1.701 -12.036 1.00 31.10 N ATOM 1658 CA ILE B 207 -3.594 -2.228 -11.341 1.00 51.44 C ATOM 1659 C ILE B 207 -4.312 -3.274 -12.188 1.00 11.53 C ATOM 1660 O ILE B 207 -4.756 -4.303 -11.678 1.00 43.34 O ATOM 1661 CB ILE B 207 -4.588 -1.108 -10.979 1.00 24.02 C ATOM 1662 CG1 ILE B 207 -3.922 -0.087 -10.054 1.00 13.34 C ATOM 1663 CG2 ILE B 207 -5.830 -1.693 -10.324 1.00 22.00 C ATOM 1664 CD1 ILE B 207 -4.271 1.347 -10.386 1.00 51.42 C ATOM 0 H ILE B 207 -2.498 -0.717 -12.294 1.00 31.10 H new ATOM 0 HA ILE B 207 -3.232 -2.692 -10.424 1.00 51.44 H new ATOM 0 HB ILE B 207 -4.890 -0.600 -11.895 1.00 24.02 H new ATOM 0 HG12 ILE B 207 -4.216 -0.295 -9.025 1.00 13.34 H new ATOM 0 HG13 ILE B 207 -2.840 -0.211 -10.108 1.00 13.34 H new ATOM 0 HG21 ILE B 207 -6.522 -0.889 -10.074 1.00 22.00 H new ATOM 0 HG22 ILE B 207 -6.312 -2.386 -11.013 1.00 22.00 H new ATOM 0 HG23 ILE B 207 -5.546 -2.223 -9.415 1.00 22.00 H new ATOM 0 HD11 ILE B 207 -3.764 2.015 -9.690 1.00 51.42 H new ATOM 0 HD12 ILE B 207 -3.952 1.573 -11.404 1.00 51.42 H new ATOM 0 HD13 ILE B 207 -5.349 1.488 -10.304 1.00 51.42 H new ATOM 1676 N LYS B 208 -4.421 -3.004 -13.484 1.00 75.24 N ATOM 1677 CA LYS B 208 -5.081 -3.923 -14.404 1.00 42.51 C ATOM 1678 C LYS B 208 -4.438 -5.304 -14.350 1.00 43.54 C ATOM 1679 O LYS B 208 -5.126 -6.322 -14.411 1.00 21.15 O ATOM 1680 CB LYS B 208 -5.022 -3.376 -15.833 1.00 15.04 C ATOM 1681 CG LYS B 208 -5.916 -4.123 -16.807 1.00 74.04 C ATOM 1682 CD LYS B 208 -6.094 -3.352 -18.105 1.00 1.41 C ATOM 1683 CE LYS B 208 -6.085 -4.279 -19.310 1.00 23.31 C ATOM 1684 NZ LYS B 208 -4.745 -4.893 -19.527 1.00 54.24 N1+ ATOM 0 H LYS B 208 -4.061 -2.156 -13.921 1.00 75.24 H new ATOM 0 HA LYS B 208 -6.123 -4.016 -14.099 1.00 42.51 H new ATOM 0 HB2 LYS B 208 -5.309 -2.324 -15.823 1.00 15.04 H new ATOM 0 HB3 LYS B 208 -3.993 -3.422 -16.189 1.00 15.04 H new ATOM 0 HG2 LYS B 208 -5.486 -5.102 -17.020 1.00 74.04 H new ATOM 0 HG3 LYS B 208 -6.890 -4.296 -16.349 1.00 74.04 H new ATOM 0 HD2 LYS B 208 -7.034 -2.801 -18.076 1.00 1.41 H new ATOM 0 HD3 LYS B 208 -5.296 -2.616 -18.205 1.00 1.41 H new ATOM 0 HE2 LYS B 208 -6.826 -5.065 -19.169 1.00 23.31 H new ATOM 0 HE3 LYS B 208 -6.377 -3.721 -20.200 1.00 23.31 H new ATOM 0 HZ1 LYS B 208 -4.654 -5.186 -20.521 1.00 54.24 H new ATOM 0 HZ2 LYS B 208 -4.004 -4.199 -19.302 1.00 54.24 H new ATOM 0 HZ3 LYS B 208 -4.640 -5.724 -18.910 1.00 54.24 H new ATOM 1698 N ASN B 209 -3.114 -5.330 -14.235 1.00 74.31 N ATOM 1699 CA ASN B 209 -2.378 -6.588 -14.171 1.00 54.03 C ATOM 1700 C ASN B 209 -2.749 -7.374 -12.917 1.00 43.43 C ATOM 1701 O ASN B 209 -2.768 -8.604 -12.925 1.00 43.05 O ATOM 1702 CB ASN B 209 -0.871 -6.323 -14.192 1.00 45.54 C ATOM 1703 CG ASN B 209 -0.101 -7.419 -14.904 1.00 10.41 C ATOM 1704 OD1 ASN B 209 -0.506 -8.581 -14.899 1.00 55.43 O ATOM 1705 ND2 ASN B 209 1.017 -7.052 -15.519 1.00 32.32 N ATOM 0 H ASN B 209 -2.529 -4.496 -14.184 1.00 74.31 H new ATOM 0 HA ASN B 209 -2.649 -7.182 -15.044 1.00 54.03 H new ATOM 0 HB2 ASN B 209 -0.679 -5.370 -14.684 1.00 45.54 H new ATOM 0 HB3 ASN B 209 -0.506 -6.232 -13.169 1.00 45.54 H new ATOM 0 HD21 ASN B 209 1.578 -7.745 -16.014 1.00 32.32 H new ATOM 0 HD22 ASN B 209 1.315 -6.077 -15.497 1.00 32.32 H new