USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.9) USER MOD Single : A 9 ASN : amide:sc=-0.000306 X(o=-0.00031,f=-0.013) USER MOD Single : A 10 THR OG1 : rot 81:sc= 0.591 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0546) USER MOD Single : A 15 ASN : amide:sc= -0.278 K(o=-0.28,f=-0.93) USER MOD Single : A 20 ASN : amide:sc= -0.311 K(o=-0.31,f=-0.86) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00827 X(o=-0.0083,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= 0.0279 (180deg=0.000255) USER MOD Single : A 37 ASN : amide:sc=-0.00481 X(o=-0.0048,f=-0.28) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 173:sc= 0 (180deg=-0.048) USER MOD Single : B 180 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 181 ASN : amide:sc= -0.115 K(o=-0.12,f=-2.3!) USER MOD Single : B 182 THR OG1 : rot 180:sc= 0 USER MOD Single : B 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 187 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : B 192 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.26) USER MOD Single : B 196 THR OG1 : rot 170:sc= 0 USER MOD Single : B 197 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.2) USER MOD Single : B 201 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 2.344 -1.253 -5.898 1.00 75.23 N ATOM 89 CA LEU A 7 2.697 -0.254 -6.901 1.00 13.24 C ATOM 90 C LEU A 7 4.025 0.414 -6.561 1.00 23.22 C ATOM 91 O LEU A 7 4.110 1.638 -6.469 1.00 73.35 O ATOM 92 CB LEU A 7 1.595 0.802 -7.009 1.00 44.33 C ATOM 93 CG LEU A 7 0.415 0.451 -7.917 1.00 5.14 C ATOM 94 CD1 LEU A 7 -0.887 0.960 -7.321 1.00 63.34 C ATOM 95 CD2 LEU A 7 0.627 1.025 -9.310 1.00 71.12 C ATOM 0 HA LEU A 7 2.801 -0.761 -7.860 1.00 13.24 H new ATOM 0 HB2 LEU A 7 1.211 1.001 -6.008 1.00 44.33 H new ATOM 0 HB3 LEU A 7 2.042 1.729 -7.369 1.00 44.33 H new ATOM 0 HG LEU A 7 0.353 -0.634 -7.998 1.00 5.14 H new ATOM 0 HD11 LEU A 7 -1.715 0.701 -7.981 1.00 63.34 H new ATOM 0 HD12 LEU A 7 -1.044 0.502 -6.345 1.00 63.34 H new ATOM 0 HD13 LEU A 7 -0.837 2.043 -7.209 1.00 63.34 H new ATOM 0 HD21 LEU A 7 -0.222 0.766 -9.943 1.00 71.12 H new ATOM 0 HD22 LEU A 7 0.715 2.110 -9.247 1.00 71.12 H new ATOM 0 HD23 LEU A 7 1.540 0.611 -9.739 1.00 71.12 H new ATOM 107 N ASN A 8 5.061 -0.399 -6.378 1.00 73.05 N ATOM 108 CA ASN A 8 6.386 0.113 -6.049 1.00 75.43 C ATOM 109 C ASN A 8 6.950 0.940 -7.201 1.00 64.20 C ATOM 110 O ASN A 8 7.401 2.068 -7.007 1.00 60.34 O ATOM 111 CB ASN A 8 7.335 -1.040 -5.722 1.00 51.12 C ATOM 112 CG ASN A 8 7.027 -1.680 -4.381 1.00 23.12 C ATOM 113 OD1 ASN A 8 6.625 -1.002 -3.436 1.00 32.20 O ATOM 114 ND2 ASN A 8 7.217 -2.992 -4.294 1.00 32.50 N ATOM 0 H ASN A 8 5.008 -1.415 -6.452 1.00 73.05 H new ATOM 0 HA ASN A 8 6.293 0.756 -5.174 1.00 75.43 H new ATOM 0 HB2 ASN A 8 7.269 -1.795 -6.506 1.00 51.12 H new ATOM 0 HB3 ASN A 8 8.361 -0.673 -5.719 1.00 51.12 H new ATOM 0 HD21 ASN A 8 7.028 -3.478 -3.417 1.00 32.50 H new ATOM 0 HD22 ASN A 8 7.552 -3.514 -5.104 1.00 32.50 H new ATOM 121 N ASN A 9 6.921 0.369 -8.402 1.00 63.42 N ATOM 122 CA ASN A 9 7.429 1.053 -9.585 1.00 30.35 C ATOM 123 C ASN A 9 6.659 2.344 -9.840 1.00 74.11 C ATOM 124 O ASN A 9 7.239 3.364 -10.215 1.00 51.40 O ATOM 125 CB ASN A 9 7.334 0.139 -10.808 1.00 64.14 C ATOM 126 CG ASN A 9 8.158 -1.125 -10.650 1.00 10.44 C ATOM 127 OD1 ASN A 9 9.350 -1.068 -10.348 1.00 20.23 O ATOM 128 ND2 ASN A 9 7.525 -2.274 -10.856 1.00 13.15 N ATOM 0 H ASN A 9 6.551 -0.565 -8.581 1.00 63.42 H new ATOM 0 HA ASN A 9 8.475 1.304 -9.408 1.00 30.35 H new ATOM 0 HB2 ASN A 9 6.291 -0.129 -10.978 1.00 64.14 H new ATOM 0 HB3 ASN A 9 7.672 0.682 -11.691 1.00 64.14 H new ATOM 0 HD21 ASN A 9 8.028 -3.157 -10.766 1.00 13.15 H new ATOM 0 HD22 ASN A 9 6.536 -2.274 -11.105 1.00 13.15 H new ATOM 135 N THR A 10 5.346 2.294 -9.634 1.00 34.41 N ATOM 136 CA THR A 10 4.495 3.459 -9.842 1.00 12.03 C ATOM 137 C THR A 10 4.734 4.514 -8.769 1.00 11.14 C ATOM 138 O THR A 10 4.900 5.696 -9.071 1.00 2.12 O ATOM 139 CB THR A 10 3.004 3.072 -9.842 1.00 34.44 C ATOM 140 OG1 THR A 10 2.653 2.471 -11.094 1.00 12.14 O ATOM 141 CG2 THR A 10 2.128 4.292 -9.598 1.00 44.51 C ATOM 0 H THR A 10 4.849 1.459 -9.323 1.00 34.41 H new ATOM 0 HA THR A 10 4.757 3.871 -10.817 1.00 12.03 H new ATOM 0 HB THR A 10 2.838 2.357 -9.036 1.00 34.44 H new ATOM 0 HG1 THR A 10 2.920 1.528 -11.090 1.00 12.14 H new ATOM 0 HG21 THR A 10 1.080 3.994 -9.602 1.00 44.51 H new ATOM 0 HG22 THR A 10 2.376 4.731 -8.632 1.00 44.51 H new ATOM 0 HG23 THR A 10 2.300 5.026 -10.385 1.00 44.51 H new ATOM 149 N LYS A 11 4.752 4.080 -7.513 1.00 31.25 N ATOM 150 CA LYS A 11 4.974 4.987 -6.393 1.00 33.43 C ATOM 151 C LYS A 11 6.278 5.760 -6.568 1.00 44.15 C ATOM 152 O LYS A 11 6.370 6.933 -6.207 1.00 42.15 O ATOM 153 CB LYS A 11 5.003 4.208 -5.077 1.00 51.42 C ATOM 154 CG LYS A 11 5.178 5.088 -3.851 1.00 53.11 C ATOM 155 CD LYS A 11 5.518 4.267 -2.619 1.00 73.54 C ATOM 156 CE LYS A 11 6.562 4.961 -1.757 1.00 75.00 C ATOM 157 NZ LYS A 11 6.345 4.703 -0.307 1.00 55.31 N1+ ATOM 0 H LYS A 11 4.615 3.105 -7.245 1.00 31.25 H new ATOM 0 HA LYS A 11 4.150 5.700 -6.367 1.00 33.43 H new ATOM 0 HB2 LYS A 11 4.076 3.643 -4.979 1.00 51.42 H new ATOM 0 HB3 LYS A 11 5.816 3.483 -5.112 1.00 51.42 H new ATOM 0 HG2 LYS A 11 5.969 5.815 -4.034 1.00 53.11 H new ATOM 0 HG3 LYS A 11 4.262 5.651 -3.673 1.00 53.11 H new ATOM 0 HD2 LYS A 11 4.615 4.098 -2.033 1.00 73.54 H new ATOM 0 HD3 LYS A 11 5.888 3.288 -2.924 1.00 73.54 H new ATOM 0 HE2 LYS A 11 7.556 4.616 -2.042 1.00 75.00 H new ATOM 0 HE3 LYS A 11 6.531 6.035 -1.943 1.00 75.00 H new ATOM 0 HZ1 LYS A 11 7.077 5.193 0.246 1.00 55.31 H new ATOM 0 HZ2 LYS A 11 5.407 5.055 -0.028 1.00 55.31 H new ATOM 0 HZ3 LYS A 11 6.400 3.681 -0.124 1.00 55.31 H new ATOM 171 N LYS A 12 7.284 5.095 -7.126 1.00 61.03 N ATOM 172 CA LYS A 12 8.583 5.719 -7.351 1.00 54.04 C ATOM 173 C LYS A 12 8.486 6.804 -8.419 1.00 43.43 C ATOM 174 O LYS A 12 9.168 7.825 -8.343 1.00 63.55 O ATOM 175 CB LYS A 12 9.611 4.665 -7.770 1.00 23.04 C ATOM 176 CG LYS A 12 11.019 5.215 -7.913 1.00 30.24 C ATOM 177 CD LYS A 12 11.855 4.368 -8.858 1.00 34.11 C ATOM 178 CE LYS A 12 12.788 5.226 -9.699 1.00 3.34 C ATOM 179 NZ LYS A 12 13.683 6.065 -8.853 1.00 40.43 N1+ ATOM 0 H LYS A 12 7.225 4.123 -7.431 1.00 61.03 H new ATOM 0 HA LYS A 12 8.905 6.180 -6.417 1.00 54.04 H new ATOM 0 HB2 LYS A 12 9.616 3.861 -7.034 1.00 23.04 H new ATOM 0 HB3 LYS A 12 9.303 4.226 -8.719 1.00 23.04 H new ATOM 0 HG2 LYS A 12 10.975 6.239 -8.284 1.00 30.24 H new ATOM 0 HG3 LYS A 12 11.498 5.250 -6.934 1.00 30.24 H new ATOM 0 HD2 LYS A 12 12.439 3.649 -8.283 1.00 34.11 H new ATOM 0 HD3 LYS A 12 11.198 3.795 -9.512 1.00 34.11 H new ATOM 0 HE2 LYS A 12 13.392 4.584 -10.341 1.00 3.34 H new ATOM 0 HE3 LYS A 12 12.199 5.869 -10.354 1.00 3.34 H new ATOM 0 HZ1 LYS A 12 14.423 6.491 -9.447 1.00 40.43 H new ATOM 0 HZ2 LYS A 12 13.127 6.818 -8.400 1.00 40.43 H new ATOM 0 HZ3 LYS A 12 14.125 5.473 -8.121 1.00 40.43 H new ATOM 193 N VAL A 13 7.634 6.574 -9.414 1.00 22.14 N ATOM 194 CA VAL A 13 7.448 7.533 -10.496 1.00 62.13 C ATOM 195 C VAL A 13 6.777 8.806 -9.992 1.00 32.12 C ATOM 196 O VAL A 13 7.150 9.912 -10.381 1.00 2.13 O ATOM 197 CB VAL A 13 6.600 6.935 -11.635 1.00 23.53 C ATOM 198 CG1 VAL A 13 6.526 7.901 -12.808 1.00 13.33 C ATOM 199 CG2 VAL A 13 7.168 5.594 -12.074 1.00 72.44 C ATOM 0 H VAL A 13 7.063 5.733 -9.493 1.00 22.14 H new ATOM 0 HA VAL A 13 8.439 7.775 -10.879 1.00 62.13 H new ATOM 0 HB VAL A 13 5.588 6.771 -11.265 1.00 23.53 H new ATOM 0 HG11 VAL A 13 5.923 7.462 -13.603 1.00 13.33 H new ATOM 0 HG12 VAL A 13 6.071 8.836 -12.481 1.00 13.33 H new ATOM 0 HG13 VAL A 13 7.531 8.098 -13.181 1.00 13.33 H new ATOM 0 HG21 VAL A 13 6.557 5.186 -12.879 1.00 72.44 H new ATOM 0 HG22 VAL A 13 8.190 5.730 -12.428 1.00 72.44 H new ATOM 0 HG23 VAL A 13 7.165 4.904 -11.230 1.00 72.44 H new ATOM 209 N ALA A 14 5.784 8.642 -9.125 1.00 65.02 N ATOM 210 CA ALA A 14 5.062 9.778 -8.564 1.00 11.32 C ATOM 211 C ALA A 14 5.931 10.546 -7.574 1.00 11.23 C ATOM 212 O ALA A 14 5.881 11.774 -7.513 1.00 13.54 O ATOM 213 CB ALA A 14 3.780 9.309 -7.892 1.00 21.23 C ATOM 0 H ALA A 14 5.460 7.733 -8.795 1.00 65.02 H new ATOM 0 HA ALA A 14 4.805 10.453 -9.381 1.00 11.32 H new ATOM 0 HB1 ALA A 14 3.251 10.167 -7.478 1.00 21.23 H new ATOM 0 HB2 ALA A 14 3.146 8.812 -8.626 1.00 21.23 H new ATOM 0 HB3 ALA A 14 4.023 8.611 -7.091 1.00 21.23 H new ATOM 219 N ASN A 15 6.727 9.815 -6.800 1.00 31.23 N ATOM 220 CA ASN A 15 7.606 10.429 -5.812 1.00 74.15 C ATOM 221 C ASN A 15 8.711 11.231 -6.491 1.00 23.51 C ATOM 222 O ASN A 15 9.259 12.168 -5.910 1.00 63.23 O ATOM 223 CB ASN A 15 8.219 9.356 -4.910 1.00 25.52 C ATOM 224 CG ASN A 15 9.407 9.875 -4.122 1.00 4.01 C ATOM 225 OD1 ASN A 15 9.363 10.969 -3.559 1.00 3.55 O ATOM 226 ND2 ASN A 15 10.477 9.089 -4.078 1.00 14.52 N ATOM 0 H ASN A 15 6.781 8.797 -6.838 1.00 31.23 H new ATOM 0 HA ASN A 15 7.010 11.109 -5.204 1.00 74.15 H new ATOM 0 HB2 ASN A 15 7.460 8.989 -4.219 1.00 25.52 H new ATOM 0 HB3 ASN A 15 8.532 8.508 -5.519 1.00 25.52 H new ATOM 0 HD21 ASN A 15 11.306 9.385 -3.563 1.00 14.52 H new ATOM 0 HD22 ASN A 15 10.469 8.190 -4.560 1.00 14.52 H new ATOM 233 N ALA A 16 9.033 10.858 -7.725 1.00 21.42 N ATOM 234 CA ALA A 16 10.071 11.546 -8.483 1.00 14.24 C ATOM 235 C ALA A 16 9.754 13.030 -8.627 1.00 34.15 C ATOM 236 O ALA A 16 10.657 13.868 -8.665 1.00 41.35 O ATOM 237 CB ALA A 16 10.234 10.903 -9.854 1.00 24.14 C ATOM 0 H ALA A 16 8.591 10.084 -8.221 1.00 21.42 H new ATOM 0 HA ALA A 16 11.009 11.454 -7.935 1.00 14.24 H new ATOM 0 HB1 ALA A 16 11.012 11.425 -10.411 1.00 24.14 H new ATOM 0 HB2 ALA A 16 10.514 9.856 -9.734 1.00 24.14 H new ATOM 0 HB3 ALA A 16 9.293 10.966 -10.400 1.00 24.14 H new ATOM 243 N PHE A 17 8.467 13.350 -8.710 1.00 31.42 N ATOM 244 CA PHE A 17 8.031 14.735 -8.852 1.00 3.35 C ATOM 245 C PHE A 17 8.608 15.603 -7.738 1.00 22.21 C ATOM 246 O PHE A 17 8.796 16.807 -7.908 1.00 62.22 O ATOM 247 CB PHE A 17 6.503 14.815 -8.838 1.00 11.12 C ATOM 248 CG PHE A 17 5.862 14.258 -10.077 1.00 12.23 C ATOM 249 CD1 PHE A 17 6.360 14.573 -11.331 1.00 55.13 C ATOM 250 CD2 PHE A 17 4.762 13.420 -9.988 1.00 25.34 C ATOM 251 CE1 PHE A 17 5.773 14.062 -12.474 1.00 31.02 C ATOM 252 CE2 PHE A 17 4.172 12.907 -11.126 1.00 52.03 C ATOM 253 CZ PHE A 17 4.676 13.229 -12.370 1.00 14.33 C ATOM 0 H PHE A 17 7.708 12.670 -8.681 1.00 31.42 H new ATOM 0 HA PHE A 17 8.398 15.110 -9.807 1.00 3.35 H new ATOM 0 HB2 PHE A 17 6.127 14.274 -7.970 1.00 11.12 H new ATOM 0 HB3 PHE A 17 6.203 15.856 -8.720 1.00 11.12 H new ATOM 0 HD1 PHE A 17 7.217 15.225 -11.417 1.00 55.13 H new ATOM 0 HD2 PHE A 17 4.362 13.165 -9.018 1.00 25.34 H new ATOM 0 HE1 PHE A 17 6.171 14.314 -13.446 1.00 31.02 H new ATOM 0 HE2 PHE A 17 3.316 12.254 -11.043 1.00 52.03 H new ATOM 0 HZ PHE A 17 4.213 12.830 -13.261 1.00 14.33 H new ATOM 263 N GLY A 18 8.886 14.982 -6.595 1.00 71.43 N ATOM 264 CA GLY A 18 9.436 15.713 -5.469 1.00 10.22 C ATOM 265 C GLY A 18 8.361 16.299 -4.575 1.00 1.23 C ATOM 266 O GLY A 18 7.813 17.363 -4.867 1.00 41.13 O ATOM 0 H GLY A 18 8.740 13.986 -6.429 1.00 71.43 H new ATOM 0 HA2 GLY A 18 10.069 15.047 -4.882 1.00 10.22 H new ATOM 0 HA3 GLY A 18 10.074 16.516 -5.838 1.00 10.22 H new ATOM 270 N LEU A 19 8.056 15.604 -3.486 1.00 44.40 N ATOM 271 CA LEU A 19 7.037 16.061 -2.547 1.00 2.23 C ATOM 272 C LEU A 19 7.425 15.718 -1.112 1.00 24.41 C ATOM 273 O LEU A 19 7.826 16.590 -0.342 1.00 42.22 O ATOM 274 CB LEU A 19 5.685 15.432 -2.885 1.00 51.43 C ATOM 275 CG LEU A 19 4.992 15.964 -4.140 1.00 50.23 C ATOM 276 CD1 LEU A 19 4.771 14.843 -5.144 1.00 30.53 C ATOM 277 CD2 LEU A 19 3.671 16.627 -3.778 1.00 53.53 C ATOM 0 H LEU A 19 8.499 14.722 -3.231 1.00 44.40 H new ATOM 0 HA LEU A 19 6.959 17.145 -2.634 1.00 2.23 H new ATOM 0 HB2 LEU A 19 5.825 14.357 -3.000 1.00 51.43 H new ATOM 0 HB3 LEU A 19 5.017 15.577 -2.036 1.00 51.43 H new ATOM 0 HG LEU A 19 5.638 16.712 -4.599 1.00 50.23 H new ATOM 0 HD11 LEU A 19 4.277 15.241 -6.030 1.00 30.53 H new ATOM 0 HD12 LEU A 19 5.732 14.413 -5.426 1.00 30.53 H new ATOM 0 HD13 LEU A 19 4.146 14.071 -4.696 1.00 30.53 H new ATOM 0 HD21 LEU A 19 3.191 17.000 -4.683 1.00 53.53 H new ATOM 0 HD22 LEU A 19 3.019 15.899 -3.295 1.00 53.53 H new ATOM 0 HD23 LEU A 19 3.855 17.457 -3.096 1.00 53.53 H new ATOM 289 N ASN A 20 7.305 14.443 -0.761 1.00 44.45 N ATOM 290 CA ASN A 20 7.645 13.984 0.582 1.00 13.34 C ATOM 291 C ASN A 20 7.434 12.479 0.712 1.00 51.44 C ATOM 292 O ASN A 20 8.393 11.707 0.736 1.00 32.11 O ATOM 293 CB ASN A 20 6.803 14.720 1.624 1.00 74.51 C ATOM 294 CG ASN A 20 6.868 14.065 2.989 1.00 2.21 C ATOM 295 OD1 ASN A 20 7.890 13.489 3.366 1.00 72.51 O ATOM 296 ND2 ASN A 20 5.775 14.148 3.738 1.00 63.10 N ATOM 0 H ASN A 20 6.975 13.708 -1.387 1.00 44.45 H new ATOM 0 HA ASN A 20 8.699 14.202 0.757 1.00 13.34 H new ATOM 0 HB2 ASN A 20 7.147 15.751 1.702 1.00 74.51 H new ATOM 0 HB3 ASN A 20 5.766 14.755 1.290 1.00 74.51 H new ATOM 0 HD21 ASN A 20 5.759 13.725 4.666 1.00 63.10 H new ATOM 0 HD22 ASN A 20 4.951 14.635 3.385 1.00 63.10 H new ATOM 303 N GLU A 21 6.172 12.068 0.795 1.00 70.12 N ATOM 304 CA GLU A 21 5.836 10.655 0.923 1.00 74.00 C ATOM 305 C GLU A 21 4.323 10.460 0.979 1.00 15.51 C ATOM 306 O GLU A 21 3.775 9.586 0.307 1.00 3.25 O ATOM 307 CB GLU A 21 6.485 10.065 2.177 1.00 72.35 C ATOM 308 CG GLU A 21 7.534 9.008 1.880 1.00 22.03 C ATOM 309 CD GLU A 21 7.862 8.154 3.089 1.00 23.21 C ATOM 310 OE1 GLU A 21 8.080 8.726 4.178 1.00 54.24 O1- ATOM 311 OE2 GLU A 21 7.900 6.915 2.947 1.00 54.42 O ATOM 0 H GLU A 21 5.366 12.693 0.776 1.00 70.12 H new ATOM 0 HA GLU A 21 6.220 10.135 0.046 1.00 74.00 H new ATOM 0 HB2 GLU A 21 6.945 10.870 2.751 1.00 72.35 H new ATOM 0 HB3 GLU A 21 5.709 9.628 2.806 1.00 72.35 H new ATOM 0 HG2 GLU A 21 7.180 8.367 1.073 1.00 22.03 H new ATOM 0 HG3 GLU A 21 8.443 9.494 1.526 1.00 22.03 H new ATOM 318 N GLU A 22 3.656 11.279 1.785 1.00 64.04 N ATOM 319 CA GLU A 22 2.207 11.194 1.929 1.00 63.33 C ATOM 320 C GLU A 22 1.511 11.456 0.597 1.00 25.21 C ATOM 321 O GLU A 22 0.571 10.753 0.227 1.00 75.13 O ATOM 322 CB GLU A 22 1.718 12.195 2.979 1.00 75.33 C ATOM 323 CG GLU A 22 2.477 12.120 4.292 1.00 45.03 C ATOM 324 CD GLU A 22 1.558 11.971 5.490 1.00 51.43 C ATOM 325 OE1 GLU A 22 0.651 11.114 5.439 1.00 2.31 O1- ATOM 326 OE2 GLU A 22 1.747 12.712 6.477 1.00 74.13 O ATOM 0 H GLU A 22 4.094 12.008 2.348 1.00 64.04 H new ATOM 0 HA GLU A 22 1.958 10.184 2.256 1.00 63.33 H new ATOM 0 HB2 GLU A 22 1.806 13.204 2.576 1.00 75.33 H new ATOM 0 HB3 GLU A 22 0.659 12.019 3.171 1.00 75.33 H new ATOM 0 HG2 GLU A 22 3.167 11.277 4.261 1.00 45.03 H new ATOM 0 HG3 GLU A 22 3.080 13.020 4.411 1.00 45.03 H new ATOM 333 N ASP A 23 1.979 12.473 -0.118 1.00 3.31 N ATOM 334 CA ASP A 23 1.404 12.828 -1.410 1.00 73.45 C ATOM 335 C ASP A 23 1.522 11.669 -2.395 1.00 12.41 C ATOM 336 O ASP A 23 0.673 11.495 -3.270 1.00 11.41 O ATOM 337 CB ASP A 23 2.096 14.069 -1.977 1.00 55.51 C ATOM 338 CG ASP A 23 1.948 15.277 -1.074 1.00 0.43 C ATOM 339 OD1 ASP A 23 0.798 15.633 -0.744 1.00 21.31 O1- ATOM 340 OD2 ASP A 23 2.983 15.867 -0.698 1.00 10.21 O ATOM 0 H ASP A 23 2.755 13.066 0.175 1.00 3.31 H new ATOM 0 HA ASP A 23 0.347 13.048 -1.261 1.00 73.45 H new ATOM 0 HB2 ASP A 23 3.155 13.856 -2.124 1.00 55.51 H new ATOM 0 HB3 ASP A 23 1.678 14.298 -2.957 1.00 55.51 H new ATOM 345 N THR A 24 2.581 10.880 -2.248 1.00 51.24 N ATOM 346 CA THR A 24 2.812 9.739 -3.125 1.00 74.25 C ATOM 347 C THR A 24 1.773 8.648 -2.894 1.00 42.14 C ATOM 348 O THR A 24 1.183 8.128 -3.839 1.00 12.31 O ATOM 349 CB THR A 24 4.218 9.146 -2.917 1.00 51.32 C ATOM 350 OG1 THR A 24 5.177 10.199 -2.768 1.00 12.00 O ATOM 351 CG2 THR A 24 4.610 8.259 -4.090 1.00 62.23 C ATOM 0 H THR A 24 3.293 11.010 -1.529 1.00 51.24 H new ATOM 0 HA THR A 24 2.728 10.105 -4.148 1.00 74.25 H new ATOM 0 HB THR A 24 4.202 8.539 -2.012 1.00 51.32 H new ATOM 0 HG1 THR A 24 6.068 9.813 -2.634 1.00 12.00 H new ATOM 0 HG21 THR A 24 5.607 7.851 -3.921 1.00 62.23 H new ATOM 0 HG22 THR A 24 3.895 7.442 -4.183 1.00 62.23 H new ATOM 0 HG23 THR A 24 4.610 8.848 -5.007 1.00 62.23 H new ATOM 359 N ASN A 25 1.553 8.305 -1.628 1.00 72.40 N ATOM 360 CA ASN A 25 0.584 7.275 -1.272 1.00 41.33 C ATOM 361 C ASN A 25 -0.838 7.741 -1.566 1.00 62.01 C ATOM 362 O ASN A 25 -1.669 6.970 -2.046 1.00 14.24 O ATOM 363 CB ASN A 25 0.718 6.910 0.208 1.00 62.11 C ATOM 364 CG ASN A 25 0.334 5.469 0.485 1.00 34.21 C ATOM 365 OD1 ASN A 25 -0.694 5.197 1.105 1.00 72.13 O ATOM 366 ND2 ASN A 25 1.160 4.537 0.023 1.00 65.43 N ATOM 0 H ASN A 25 2.033 8.726 -0.832 1.00 72.40 H new ATOM 0 HA ASN A 25 0.790 6.392 -1.877 1.00 41.33 H new ATOM 0 HB2 ASN A 25 1.746 7.077 0.529 1.00 62.11 H new ATOM 0 HB3 ASN A 25 0.087 7.572 0.801 1.00 62.11 H new ATOM 0 HD21 ASN A 25 0.953 3.550 0.177 1.00 65.43 H new ATOM 0 HD22 ASN A 25 2.001 4.808 -0.486 1.00 65.43 H new ATOM 373 N LEU A 26 -1.112 9.008 -1.274 1.00 41.30 N ATOM 374 CA LEU A 26 -2.434 9.578 -1.507 1.00 34.34 C ATOM 375 C LEU A 26 -2.800 9.517 -2.987 1.00 22.40 C ATOM 376 O LEU A 26 -3.951 9.261 -3.342 1.00 52.21 O ATOM 377 CB LEU A 26 -2.480 11.027 -1.018 1.00 52.42 C ATOM 378 CG LEU A 26 -3.695 11.412 -0.175 1.00 62.42 C ATOM 379 CD1 LEU A 26 -3.374 11.301 1.308 1.00 22.03 C ATOM 380 CD2 LEU A 26 -4.158 12.822 -0.517 1.00 4.43 C ATOM 0 H LEU A 26 -0.436 9.660 -0.876 1.00 41.30 H new ATOM 0 HA LEU A 26 -3.160 8.989 -0.947 1.00 34.34 H new ATOM 0 HB2 LEU A 26 -1.581 11.221 -0.433 1.00 52.42 H new ATOM 0 HB3 LEU A 26 -2.443 11.684 -1.887 1.00 52.42 H new ATOM 0 HG LEU A 26 -4.505 10.719 -0.404 1.00 62.42 H new ATOM 0 HD11 LEU A 26 -4.251 11.579 1.892 1.00 22.03 H new ATOM 0 HD12 LEU A 26 -3.092 10.275 1.543 1.00 22.03 H new ATOM 0 HD13 LEU A 26 -2.548 11.969 1.553 1.00 22.03 H new ATOM 0 HD21 LEU A 26 -5.024 13.079 0.093 1.00 4.43 H new ATOM 0 HD22 LEU A 26 -3.352 13.528 -0.318 1.00 4.43 H new ATOM 0 HD23 LEU A 26 -4.430 12.870 -1.571 1.00 4.43 H new ATOM 392 N LEU A 27 -1.813 9.752 -3.845 1.00 70.45 N ATOM 393 CA LEU A 27 -2.031 9.721 -5.287 1.00 55.13 C ATOM 394 C LEU A 27 -2.468 8.332 -5.743 1.00 30.41 C ATOM 395 O LEU A 27 -3.443 8.189 -6.481 1.00 60.13 O ATOM 396 CB LEU A 27 -0.755 10.134 -6.024 1.00 70.44 C ATOM 397 CG LEU A 27 -0.703 9.798 -7.514 1.00 34.42 C ATOM 398 CD1 LEU A 27 -0.306 11.023 -8.324 1.00 25.13 C ATOM 399 CD2 LEU A 27 0.265 8.652 -7.769 1.00 73.32 C ATOM 0 H LEU A 27 -0.855 9.966 -3.567 1.00 70.45 H new ATOM 0 HA LEU A 27 -2.826 10.428 -5.524 1.00 55.13 H new ATOM 0 HB2 LEU A 27 -0.625 11.210 -5.910 1.00 70.44 H new ATOM 0 HB3 LEU A 27 0.094 9.657 -5.534 1.00 70.44 H new ATOM 0 HG LEU A 27 -1.698 9.485 -7.831 1.00 34.42 H new ATOM 0 HD11 LEU A 27 -0.274 10.765 -9.382 1.00 25.13 H new ATOM 0 HD12 LEU A 27 -1.037 11.816 -8.166 1.00 25.13 H new ATOM 0 HD13 LEU A 27 0.678 11.367 -8.005 1.00 25.13 H new ATOM 0 HD21 LEU A 27 0.289 8.426 -8.835 1.00 73.32 H new ATOM 0 HD22 LEU A 27 1.263 8.938 -7.436 1.00 73.32 H new ATOM 0 HD23 LEU A 27 -0.063 7.770 -7.219 1.00 73.32 H new ATOM 411 N ILE A 28 -1.741 7.313 -5.297 1.00 61.30 N ATOM 412 CA ILE A 28 -2.055 5.936 -5.656 1.00 64.21 C ATOM 413 C ILE A 28 -3.411 5.518 -5.096 1.00 32.22 C ATOM 414 O ILE A 28 -4.109 4.694 -5.685 1.00 42.52 O ATOM 415 CB ILE A 28 -0.978 4.961 -5.145 1.00 32.30 C ATOM 416 CG1 ILE A 28 0.380 5.300 -5.760 1.00 3.23 C ATOM 417 CG2 ILE A 28 -1.368 3.526 -5.466 1.00 0.31 C ATOM 418 CD1 ILE A 28 1.521 4.482 -5.195 1.00 51.41 C ATOM 0 H ILE A 28 -0.930 7.415 -4.686 1.00 61.30 H new ATOM 0 HA ILE A 28 -2.085 5.892 -6.745 1.00 64.21 H new ATOM 0 HB ILE A 28 -0.901 5.062 -4.062 1.00 32.30 H new ATOM 0 HG12 ILE A 28 0.331 5.144 -6.838 1.00 3.23 H new ATOM 0 HG13 ILE A 28 0.588 6.358 -5.600 1.00 3.23 H new ATOM 0 HG21 ILE A 28 -0.597 2.849 -5.099 1.00 0.31 H new ATOM 0 HG22 ILE A 28 -2.317 3.291 -4.985 1.00 0.31 H new ATOM 0 HG23 ILE A 28 -1.470 3.409 -6.545 1.00 0.31 H new ATOM 0 HD11 ILE A 28 2.453 4.776 -5.677 1.00 51.41 H new ATOM 0 HD12 ILE A 28 1.597 4.656 -4.122 1.00 51.41 H new ATOM 0 HD13 ILE A 28 1.336 3.424 -5.378 1.00 51.41 H new ATOM 430 N ASN A 29 -3.778 6.094 -3.956 1.00 23.23 N ATOM 431 CA ASN A 29 -5.051 5.783 -3.317 1.00 10.31 C ATOM 432 C ASN A 29 -6.221 6.179 -4.213 1.00 3.32 C ATOM 433 O ASN A 29 -7.240 5.490 -4.260 1.00 61.21 O ATOM 434 CB ASN A 29 -5.158 6.501 -1.970 1.00 53.32 C ATOM 435 CG ASN A 29 -5.888 5.672 -0.930 1.00 11.04 C ATOM 436 OD1 ASN A 29 -5.356 5.400 0.146 1.00 2.43 O ATOM 437 ND2 ASN A 29 -7.112 5.268 -1.248 1.00 3.14 N ATOM 0 H ASN A 29 -3.211 6.779 -3.456 1.00 23.23 H new ATOM 0 HA ASN A 29 -5.093 4.707 -3.151 1.00 10.31 H new ATOM 0 HB2 ASN A 29 -4.158 6.737 -1.606 1.00 53.32 H new ATOM 0 HB3 ASN A 29 -5.679 7.449 -2.107 1.00 53.32 H new ATOM 0 HD21 ASN A 29 -7.652 4.708 -0.588 1.00 3.14 H new ATOM 0 HD22 ASN A 29 -7.513 5.518 -2.152 1.00 3.14 H new ATOM 444 N ALA A 30 -6.065 7.292 -4.922 1.00 62.31 N ATOM 445 CA ALA A 30 -7.107 7.779 -5.818 1.00 2.40 C ATOM 446 C ALA A 30 -7.194 6.921 -7.076 1.00 4.21 C ATOM 447 O ALA A 30 -8.282 6.539 -7.505 1.00 30.51 O ATOM 448 CB ALA A 30 -6.850 9.233 -6.184 1.00 74.32 C ATOM 0 H ALA A 30 -5.227 7.873 -4.893 1.00 62.31 H new ATOM 0 HA ALA A 30 -8.062 7.711 -5.297 1.00 2.40 H new ATOM 0 HB1 ALA A 30 -7.635 9.584 -6.853 1.00 74.32 H new ATOM 0 HB2 ALA A 30 -6.846 9.841 -5.279 1.00 74.32 H new ATOM 0 HB3 ALA A 30 -5.884 9.318 -6.682 1.00 74.32 H new ATOM 454 N VAL A 31 -6.039 6.622 -7.663 1.00 2.33 N ATOM 455 CA VAL A 31 -5.985 5.809 -8.872 1.00 11.01 C ATOM 456 C VAL A 31 -6.431 4.378 -8.593 1.00 23.43 C ATOM 457 O VAL A 31 -7.305 3.845 -9.276 1.00 2.23 O ATOM 458 CB VAL A 31 -4.565 5.785 -9.468 1.00 11.15 C ATOM 459 CG1 VAL A 31 -4.583 5.186 -10.866 1.00 35.02 C ATOM 460 CG2 VAL A 31 -3.972 7.186 -9.488 1.00 20.31 C ATOM 0 H VAL A 31 -5.129 6.931 -7.321 1.00 2.33 H new ATOM 0 HA VAL A 31 -6.666 6.265 -9.591 1.00 11.01 H new ATOM 0 HB VAL A 31 -3.936 5.157 -8.837 1.00 11.15 H new ATOM 0 HG11 VAL A 31 -3.571 5.177 -11.271 1.00 35.02 H new ATOM 0 HG12 VAL A 31 -4.964 4.166 -10.820 1.00 35.02 H new ATOM 0 HG13 VAL A 31 -5.227 5.785 -11.510 1.00 35.02 H new ATOM 0 HG21 VAL A 31 -2.969 7.150 -9.912 1.00 20.31 H new ATOM 0 HG22 VAL A 31 -4.600 7.838 -10.095 1.00 20.31 H new ATOM 0 HG23 VAL A 31 -3.922 7.575 -8.471 1.00 20.31 H new ATOM 470 N ASP A 32 -5.825 3.762 -7.584 1.00 3.33 N ATOM 471 CA ASP A 32 -6.160 2.392 -7.212 1.00 22.34 C ATOM 472 C ASP A 32 -7.643 2.268 -6.876 1.00 64.21 C ATOM 473 O ASP A 32 -8.286 1.275 -7.216 1.00 44.54 O ATOM 474 CB ASP A 32 -5.314 1.943 -6.020 1.00 41.15 C ATOM 475 CG ASP A 32 -5.895 0.728 -5.322 1.00 71.22 C ATOM 476 OD1 ASP A 32 -5.795 -0.382 -5.884 1.00 64.30 O1- ATOM 477 OD2 ASP A 32 -6.451 0.889 -4.215 1.00 52.22 O ATOM 0 H ASP A 32 -5.099 4.190 -7.009 1.00 3.33 H new ATOM 0 HA ASP A 32 -5.944 1.747 -8.063 1.00 22.34 H new ATOM 0 HB2 ASP A 32 -4.304 1.714 -6.361 1.00 41.15 H new ATOM 0 HB3 ASP A 32 -5.232 2.763 -5.307 1.00 41.15 H new ATOM 482 N LEU A 33 -8.178 3.282 -6.205 1.00 52.54 N ATOM 483 CA LEU A 33 -9.586 3.286 -5.820 1.00 34.44 C ATOM 484 C LEU A 33 -10.485 3.392 -7.048 1.00 55.31 C ATOM 485 O LEU A 33 -11.525 2.737 -7.127 1.00 2.32 O ATOM 486 CB LEU A 33 -9.870 4.447 -4.865 1.00 50.51 C ATOM 487 CG LEU A 33 -11.319 4.593 -4.400 1.00 33.21 C ATOM 488 CD1 LEU A 33 -11.749 3.375 -3.598 1.00 0.54 C ATOM 489 CD2 LEU A 33 -11.489 5.862 -3.578 1.00 74.51 C ATOM 0 H LEU A 33 -7.659 4.111 -5.916 1.00 52.54 H new ATOM 0 HA LEU A 33 -9.802 2.345 -5.314 1.00 34.44 H new ATOM 0 HB2 LEU A 33 -9.237 4.331 -3.985 1.00 50.51 H new ATOM 0 HB3 LEU A 33 -9.571 5.374 -5.353 1.00 50.51 H new ATOM 0 HG LEU A 33 -11.957 4.665 -5.281 1.00 33.21 H new ATOM 0 HD11 LEU A 33 -12.783 3.498 -3.276 1.00 0.54 H new ATOM 0 HD12 LEU A 33 -11.666 2.483 -4.219 1.00 0.54 H new ATOM 0 HD13 LEU A 33 -11.107 3.270 -2.724 1.00 0.54 H new ATOM 0 HD21 LEU A 33 -12.526 5.950 -3.255 1.00 74.51 H new ATOM 0 HD22 LEU A 33 -10.839 5.819 -2.704 1.00 74.51 H new ATOM 0 HD23 LEU A 33 -11.223 6.727 -4.185 1.00 74.51 H new ATOM 501 N ASP A 34 -10.077 4.219 -8.005 1.00 42.20 N ATOM 502 CA ASP A 34 -10.843 4.407 -9.231 1.00 30.32 C ATOM 503 C ASP A 34 -10.962 3.099 -10.006 1.00 63.12 C ATOM 504 O ASP A 34 -12.046 2.730 -10.458 1.00 0.42 O ATOM 505 CB ASP A 34 -10.188 5.476 -10.107 1.00 34.33 C ATOM 506 CG ASP A 34 -11.207 6.339 -10.827 1.00 41.51 C ATOM 507 OD1 ASP A 34 -12.125 5.772 -11.456 1.00 50.41 O1- ATOM 508 OD2 ASP A 34 -11.085 7.580 -10.763 1.00 21.12 O ATOM 0 H ASP A 34 -9.220 4.770 -7.955 1.00 42.20 H new ATOM 0 HA ASP A 34 -11.845 4.736 -8.956 1.00 30.32 H new ATOM 0 HB2 ASP A 34 -9.552 6.109 -9.488 1.00 34.33 H new ATOM 0 HB3 ASP A 34 -9.541 4.994 -10.840 1.00 34.33 H new ATOM 513 N ILE A 35 -9.840 2.402 -10.153 1.00 55.15 N ATOM 514 CA ILE A 35 -9.818 1.134 -10.873 1.00 75.55 C ATOM 515 C ILE A 35 -10.619 0.068 -10.133 1.00 72.14 C ATOM 516 O ILE A 35 -11.338 -0.722 -10.746 1.00 63.41 O ATOM 517 CB ILE A 35 -8.379 0.628 -11.078 1.00 12.42 C ATOM 518 CG1 ILE A 35 -7.626 1.545 -12.043 1.00 21.25 C ATOM 519 CG2 ILE A 35 -8.389 -0.802 -11.599 1.00 64.53 C ATOM 520 CD1 ILE A 35 -6.388 2.173 -11.439 1.00 43.44 C ATOM 0 H ILE A 35 -8.935 2.693 -9.784 1.00 55.15 H new ATOM 0 HA ILE A 35 -10.272 1.316 -11.847 1.00 75.55 H new ATOM 0 HB ILE A 35 -7.865 0.641 -10.117 1.00 12.42 H new ATOM 0 HG12 ILE A 35 -7.340 0.973 -12.926 1.00 21.25 H new ATOM 0 HG13 ILE A 35 -8.297 2.335 -12.379 1.00 21.25 H new ATOM 0 HG21 ILE A 35 -7.364 -1.145 -11.739 1.00 64.53 H new ATOM 0 HG22 ILE A 35 -8.893 -1.448 -10.880 1.00 64.53 H new ATOM 0 HG23 ILE A 35 -8.917 -0.838 -12.552 1.00 64.53 H new ATOM 0 HD11 ILE A 35 -5.905 2.810 -12.180 1.00 43.44 H new ATOM 0 HD12 ILE A 35 -6.670 2.772 -10.573 1.00 43.44 H new ATOM 0 HD13 ILE A 35 -5.697 1.389 -11.129 1.00 43.44 H new ATOM 532 N LYS A 36 -10.492 0.052 -8.810 1.00 20.51 N ATOM 533 CA LYS A 36 -11.206 -0.914 -7.984 1.00 41.24 C ATOM 534 C LYS A 36 -12.709 -0.839 -8.234 1.00 14.31 C ATOM 535 O LYS A 36 -13.393 -1.861 -8.269 1.00 72.23 O ATOM 536 CB LYS A 36 -10.912 -0.665 -6.503 1.00 42.11 C ATOM 537 CG LYS A 36 -11.883 -1.360 -5.565 1.00 0.11 C ATOM 538 CD LYS A 36 -11.888 -2.864 -5.782 1.00 41.42 C ATOM 539 CE LYS A 36 -12.964 -3.544 -4.948 1.00 4.45 C ATOM 540 NZ LYS A 36 -14.186 -3.833 -5.747 1.00 13.40 N1+ ATOM 0 H LYS A 36 -9.901 0.698 -8.287 1.00 20.51 H new ATOM 0 HA LYS A 36 -10.860 -1.912 -8.255 1.00 41.24 H new ATOM 0 HB2 LYS A 36 -9.900 -1.003 -6.280 1.00 42.11 H new ATOM 0 HB3 LYS A 36 -10.939 0.408 -6.311 1.00 42.11 H new ATOM 0 HG2 LYS A 36 -11.612 -1.141 -4.532 1.00 0.11 H new ATOM 0 HG3 LYS A 36 -12.887 -0.966 -5.722 1.00 0.11 H new ATOM 0 HD2 LYS A 36 -12.054 -3.080 -6.838 1.00 41.42 H new ATOM 0 HD3 LYS A 36 -10.912 -3.273 -5.522 1.00 41.42 H new ATOM 0 HE2 LYS A 36 -12.571 -4.474 -4.537 1.00 4.45 H new ATOM 0 HE3 LYS A 36 -13.225 -2.907 -4.103 1.00 4.45 H new ATOM 0 HZ1 LYS A 36 -15.030 -3.592 -5.190 1.00 13.40 H new ATOM 0 HZ2 LYS A 36 -14.173 -3.266 -6.619 1.00 13.40 H new ATOM 0 HZ3 LYS A 36 -14.210 -4.844 -5.992 1.00 13.40 H new ATOM 554 N ASN A 37 -13.215 0.378 -8.410 1.00 51.13 N ATOM 555 CA ASN A 37 -14.637 0.585 -8.658 1.00 41.41 C ATOM 556 C ASN A 37 -15.057 -0.052 -9.979 1.00 44.33 C ATOM 557 O ASN A 37 -16.187 -0.518 -10.124 1.00 44.24 O ATOM 558 CB ASN A 37 -14.961 2.080 -8.675 1.00 3.10 C ATOM 559 CG ASN A 37 -15.477 2.575 -7.337 1.00 1.53 C ATOM 560 OD1 ASN A 37 -15.092 2.067 -6.284 1.00 35.24 O ATOM 561 ND2 ASN A 37 -16.355 3.571 -7.375 1.00 23.54 N ATOM 0 H ASN A 37 -12.662 1.235 -8.385 1.00 51.13 H new ATOM 0 HA ASN A 37 -15.194 0.108 -7.851 1.00 41.41 H new ATOM 0 HB2 ASN A 37 -14.066 2.640 -8.946 1.00 3.10 H new ATOM 0 HB3 ASN A 37 -15.706 2.279 -9.445 1.00 3.10 H new ATOM 0 HD21 ASN A 37 -16.739 3.946 -6.508 1.00 23.54 H new ATOM 0 HD22 ASN A 37 -16.645 3.961 -8.272 1.00 23.54 H new ATOM 568 N ASN A 38 -14.139 -0.070 -10.940 1.00 74.14 N ATOM 569 CA ASN A 38 -14.414 -0.651 -12.249 1.00 60.52 C ATOM 570 C ASN A 38 -14.162 -2.155 -12.240 1.00 35.11 C ATOM 571 O ASN A 38 -14.574 -2.869 -13.156 1.00 63.41 O ATOM 572 CB ASN A 38 -13.547 0.017 -13.318 1.00 50.13 C ATOM 573 CG ASN A 38 -14.359 0.876 -14.267 1.00 34.43 C ATOM 574 OD1 ASN A 38 -14.990 0.370 -15.195 1.00 52.11 O ATOM 575 ND2 ASN A 38 -14.347 2.184 -14.040 1.00 70.52 N ATOM 0 H ASN A 38 -13.198 0.311 -10.837 1.00 74.14 H new ATOM 0 HA ASN A 38 -15.465 -0.478 -12.483 1.00 60.52 H new ATOM 0 HB2 ASN A 38 -12.788 0.632 -12.834 1.00 50.13 H new ATOM 0 HB3 ASN A 38 -13.021 -0.750 -13.886 1.00 50.13 H new ATOM 0 HD21 ASN A 38 -14.875 2.812 -14.647 1.00 70.52 H new ATOM 0 HD22 ASN A 38 -13.810 2.561 -13.259 1.00 70.52 H new ATOM 582 N MET A 39 -13.485 -2.630 -11.201 1.00 2.53 N ATOM 583 CA MET A 39 -13.179 -4.051 -11.073 1.00 34.45 C ATOM 584 C MET A 39 -14.438 -4.895 -11.240 1.00 54.11 C ATOM 585 O MET A 39 -14.378 -6.027 -11.717 1.00 12.33 O ATOM 586 CB MET A 39 -12.537 -4.336 -9.715 1.00 62.24 C ATOM 587 CG MET A 39 -12.152 -5.793 -9.518 1.00 71.22 C ATOM 588 SD MET A 39 -13.024 -6.562 -8.140 1.00 63.34 S ATOM 589 CE MET A 39 -13.823 -7.934 -8.968 1.00 33.30 C ATOM 0 H MET A 39 -13.137 -2.053 -10.435 1.00 2.53 H new ATOM 0 HA MET A 39 -12.476 -4.318 -11.862 1.00 34.45 H new ATOM 0 HB2 MET A 39 -11.647 -3.716 -9.606 1.00 62.24 H new ATOM 0 HB3 MET A 39 -13.229 -4.042 -8.926 1.00 62.24 H new ATOM 0 HG2 MET A 39 -12.364 -6.348 -10.432 1.00 71.22 H new ATOM 0 HG3 MET A 39 -11.078 -5.861 -9.346 1.00 71.22 H new ATOM 0 HE1 MET A 39 -14.300 -8.577 -8.229 1.00 33.30 H new ATOM 0 HE2 MET A 39 -14.576 -7.554 -9.658 1.00 33.30 H new ATOM 0 HE3 MET A 39 -13.080 -8.507 -9.522 1.00 33.30 H new ATOM 1232 N LEU B 179 -10.745 7.744 -14.925 1.00 72.02 N ATOM 1233 CA LEU B 179 -9.765 8.361 -14.039 1.00 5.11 C ATOM 1234 C LEU B 179 -9.638 9.854 -14.322 1.00 63.35 C ATOM 1235 O LEU B 179 -8.547 10.420 -14.247 1.00 53.23 O ATOM 1236 CB LEU B 179 -8.404 7.682 -14.200 1.00 15.14 C ATOM 1237 CG LEU B 179 -8.430 6.168 -14.417 1.00 73.43 C ATOM 1238 CD1 LEU B 179 -7.022 5.596 -14.361 1.00 22.31 C ATOM 1239 CD2 LEU B 179 -9.322 5.498 -13.383 1.00 41.22 C ATOM 0 HA LEU B 179 -10.109 8.233 -13.013 1.00 5.11 H new ATOM 0 HB2 LEU B 179 -7.889 8.141 -15.044 1.00 15.14 H new ATOM 0 HB3 LEU B 179 -7.809 7.891 -13.311 1.00 15.14 H new ATOM 0 HG LEU B 179 -8.841 5.968 -15.407 1.00 73.43 H new ATOM 0 HD11 LEU B 179 -7.061 4.518 -14.517 1.00 22.31 H new ATOM 0 HD12 LEU B 179 -6.412 6.054 -15.140 1.00 22.31 H new ATOM 0 HD13 LEU B 179 -6.583 5.805 -13.386 1.00 22.31 H new ATOM 0 HD21 LEU B 179 -9.329 4.421 -13.552 1.00 41.22 H new ATOM 0 HD22 LEU B 179 -8.940 5.706 -12.384 1.00 41.22 H new ATOM 0 HD23 LEU B 179 -10.337 5.886 -13.472 1.00 41.22 H new ATOM 1251 N ASN B 180 -10.760 10.487 -14.645 1.00 33.41 N ATOM 1252 CA ASN B 180 -10.775 11.916 -14.939 1.00 24.01 C ATOM 1253 C ASN B 180 -10.221 12.718 -13.764 1.00 12.20 C ATOM 1254 O ASN B 180 -9.337 13.556 -13.934 1.00 20.24 O ATOM 1255 CB ASN B 180 -12.198 12.377 -15.259 1.00 34.52 C ATOM 1256 CG ASN B 180 -12.509 12.305 -16.742 1.00 61.14 C ATOM 1257 OD1 ASN B 180 -12.216 13.234 -17.494 1.00 54.14 O ATOM 1258 ND2 ASN B 180 -13.106 11.199 -17.167 1.00 41.43 N ATOM 0 H ASN B 180 -11.671 10.034 -14.710 1.00 33.41 H new ATOM 0 HA ASN B 180 -10.140 12.090 -15.808 1.00 24.01 H new ATOM 0 HB2 ASN B 180 -12.909 11.759 -14.711 1.00 34.52 H new ATOM 0 HB3 ASN B 180 -12.332 13.401 -14.912 1.00 34.52 H new ATOM 0 HD21 ASN B 180 -13.341 11.093 -18.154 1.00 41.43 H new ATOM 0 HD22 ASN B 180 -13.330 10.454 -16.507 1.00 41.43 H new ATOM 1265 N ASN B 181 -10.748 12.454 -12.573 1.00 43.51 N ATOM 1266 CA ASN B 181 -10.306 13.150 -11.370 1.00 11.30 C ATOM 1267 C ASN B 181 -8.846 12.829 -11.061 1.00 21.03 C ATOM 1268 O ASN B 181 -8.109 13.670 -10.545 1.00 52.00 O ATOM 1269 CB ASN B 181 -11.187 12.765 -10.181 1.00 64.41 C ATOM 1270 CG ASN B 181 -12.603 13.288 -10.317 1.00 34.50 C ATOM 1271 OD1 ASN B 181 -13.063 13.587 -11.420 1.00 4.51 O ATOM 1272 ND2 ASN B 181 -13.303 13.401 -9.195 1.00 61.15 N ATOM 0 H ASN B 181 -11.482 11.763 -12.415 1.00 43.51 H new ATOM 0 HA ASN B 181 -10.394 14.222 -11.547 1.00 11.30 H new ATOM 0 HB2 ASN B 181 -11.211 11.679 -10.087 1.00 64.41 H new ATOM 0 HB3 ASN B 181 -10.745 13.155 -9.264 1.00 64.41 H new ATOM 0 HD21 ASN B 181 -14.262 13.747 -9.225 1.00 61.15 H new ATOM 0 HD22 ASN B 181 -12.882 13.142 -8.303 1.00 61.15 H new ATOM 1279 N THR B 182 -8.434 11.607 -11.381 1.00 42.31 N ATOM 1280 CA THR B 182 -7.063 11.173 -11.137 1.00 34.30 C ATOM 1281 C THR B 182 -6.068 12.056 -11.881 1.00 63.01 C ATOM 1282 O THR B 182 -5.058 12.481 -11.319 1.00 71.24 O ATOM 1283 CB THR B 182 -6.853 9.709 -11.564 1.00 3.55 C ATOM 1284 OG1 THR B 182 -7.681 8.845 -10.778 1.00 3.43 O ATOM 1285 CG2 THR B 182 -5.395 9.304 -11.407 1.00 41.31 C ATOM 0 H THR B 182 -9.030 10.899 -11.810 1.00 42.31 H new ATOM 0 HA THR B 182 -6.890 11.258 -10.064 1.00 34.30 H new ATOM 0 HB THR B 182 -7.128 9.617 -12.615 1.00 3.55 H new ATOM 0 HG1 THR B 182 -7.542 7.916 -11.057 1.00 3.43 H new ATOM 0 HG21 THR B 182 -5.271 8.266 -11.715 1.00 41.31 H new ATOM 0 HG22 THR B 182 -4.770 9.944 -12.030 1.00 41.31 H new ATOM 0 HG23 THR B 182 -5.098 9.411 -10.364 1.00 41.31 H new ATOM 1293 N LYS B 183 -6.359 12.330 -13.148 1.00 1.21 N ATOM 1294 CA LYS B 183 -5.490 13.164 -13.970 1.00 30.41 C ATOM 1295 C LYS B 183 -5.258 14.522 -13.312 1.00 55.23 C ATOM 1296 O LYS B 183 -4.161 15.076 -13.378 1.00 0.43 O ATOM 1297 CB LYS B 183 -6.100 13.358 -15.361 1.00 65.35 C ATOM 1298 CG LYS B 183 -5.321 14.323 -16.238 1.00 71.23 C ATOM 1299 CD LYS B 183 -6.053 14.608 -17.539 1.00 65.13 C ATOM 1300 CE LYS B 183 -6.430 16.077 -17.655 1.00 64.12 C ATOM 1301 NZ LYS B 183 -6.652 16.482 -19.070 1.00 14.34 N1+ ATOM 0 H LYS B 183 -7.191 11.986 -13.628 1.00 1.21 H new ATOM 0 HA LYS B 183 -4.530 12.658 -14.068 1.00 30.41 H new ATOM 0 HB2 LYS B 183 -6.158 12.391 -15.861 1.00 65.35 H new ATOM 0 HB3 LYS B 183 -7.122 13.722 -15.253 1.00 65.35 H new ATOM 0 HG2 LYS B 183 -5.158 15.256 -15.699 1.00 71.23 H new ATOM 0 HG3 LYS B 183 -4.338 13.906 -16.456 1.00 71.23 H new ATOM 0 HD2 LYS B 183 -5.423 14.325 -18.382 1.00 65.13 H new ATOM 0 HD3 LYS B 183 -6.952 13.995 -17.594 1.00 65.13 H new ATOM 0 HE2 LYS B 183 -7.334 16.267 -17.077 1.00 64.12 H new ATOM 0 HE3 LYS B 183 -5.640 16.690 -17.221 1.00 64.12 H new ATOM 0 HZ1 LYS B 183 -6.907 17.490 -19.107 1.00 14.34 H new ATOM 0 HZ2 LYS B 183 -5.781 16.325 -19.617 1.00 14.34 H new ATOM 0 HZ3 LYS B 183 -7.423 15.915 -19.477 1.00 14.34 H new ATOM 1315 N LYS B 184 -6.298 15.051 -12.676 1.00 0.25 N ATOM 1316 CA LYS B 184 -6.208 16.342 -12.004 1.00 43.33 C ATOM 1317 C LYS B 184 -5.251 16.272 -10.818 1.00 40.51 C ATOM 1318 O LYS B 184 -4.591 17.254 -10.480 1.00 12.00 O ATOM 1319 CB LYS B 184 -7.591 16.791 -11.531 1.00 74.34 C ATOM 1320 CG LYS B 184 -8.145 17.974 -12.306 1.00 35.51 C ATOM 1321 CD LYS B 184 -7.710 19.295 -11.695 1.00 4.04 C ATOM 1322 CE LYS B 184 -8.902 20.195 -11.405 1.00 12.33 C ATOM 1323 NZ LYS B 184 -8.485 21.486 -10.790 1.00 41.14 N1+ ATOM 0 H LYS B 184 -7.213 14.605 -12.612 1.00 0.25 H new ATOM 0 HA LYS B 184 -5.821 17.069 -12.718 1.00 43.33 H new ATOM 0 HB2 LYS B 184 -8.284 15.954 -11.617 1.00 74.34 H new ATOM 0 HB3 LYS B 184 -7.537 17.053 -10.474 1.00 74.34 H new ATOM 0 HG2 LYS B 184 -7.807 17.922 -13.341 1.00 35.51 H new ATOM 0 HG3 LYS B 184 -9.234 17.921 -12.323 1.00 35.51 H new ATOM 0 HD2 LYS B 184 -7.162 19.107 -10.772 1.00 4.04 H new ATOM 0 HD3 LYS B 184 -7.026 19.803 -12.374 1.00 4.04 H new ATOM 0 HE2 LYS B 184 -9.443 20.392 -12.331 1.00 12.33 H new ATOM 0 HE3 LYS B 184 -9.592 19.680 -10.736 1.00 12.33 H new ATOM 0 HZ1 LYS B 184 -9.325 22.071 -10.608 1.00 41.14 H new ATOM 0 HZ2 LYS B 184 -7.991 21.300 -9.894 1.00 41.14 H new ATOM 0 HZ3 LYS B 184 -7.847 21.989 -11.439 1.00 41.14 H new ATOM 1337 N VAL B 185 -5.181 15.103 -10.189 1.00 42.42 N ATOM 1338 CA VAL B 185 -4.303 14.903 -9.042 1.00 2.13 C ATOM 1339 C VAL B 185 -2.836 14.959 -9.456 1.00 72.51 C ATOM 1340 O VAL B 185 -2.026 15.628 -8.817 1.00 21.20 O ATOM 1341 CB VAL B 185 -4.579 13.554 -8.352 1.00 31.00 C ATOM 1342 CG1 VAL B 185 -3.642 13.357 -7.170 1.00 73.21 C ATOM 1343 CG2 VAL B 185 -6.032 13.469 -7.910 1.00 11.24 C ATOM 0 H VAL B 185 -5.722 14.280 -10.454 1.00 42.42 H new ATOM 0 HA VAL B 185 -4.511 15.711 -8.340 1.00 2.13 H new ATOM 0 HB VAL B 185 -4.394 12.755 -9.069 1.00 31.00 H new ATOM 0 HG11 VAL B 185 -3.852 12.399 -6.695 1.00 73.21 H new ATOM 0 HG12 VAL B 185 -2.609 13.371 -7.518 1.00 73.21 H new ATOM 0 HG13 VAL B 185 -3.793 14.160 -6.449 1.00 73.21 H new ATOM 0 HG21 VAL B 185 -6.209 12.509 -7.425 1.00 11.24 H new ATOM 0 HG22 VAL B 185 -6.247 14.275 -7.209 1.00 11.24 H new ATOM 0 HG23 VAL B 185 -6.683 13.561 -8.780 1.00 11.24 H new ATOM 1353 N ALA B 186 -2.503 14.251 -10.530 1.00 22.43 N ATOM 1354 CA ALA B 186 -1.135 14.223 -11.031 1.00 3.34 C ATOM 1355 C ALA B 186 -0.756 15.554 -11.671 1.00 21.21 C ATOM 1356 O ALA B 186 0.374 16.020 -11.534 1.00 44.03 O ATOM 1357 CB ALA B 186 -0.962 13.087 -12.030 1.00 33.32 C ATOM 0 H ALA B 186 -3.162 13.689 -11.070 1.00 22.43 H new ATOM 0 HA ALA B 186 -0.469 14.054 -10.185 1.00 3.34 H new ATOM 0 HB1 ALA B 186 0.065 13.078 -12.396 1.00 33.32 H new ATOM 0 HB2 ALA B 186 -1.182 12.137 -11.543 1.00 33.32 H new ATOM 0 HB3 ALA B 186 -1.645 13.232 -12.867 1.00 33.32 H new ATOM 1363 N ASN B 187 -1.709 16.161 -12.370 1.00 73.53 N ATOM 1364 CA ASN B 187 -1.474 17.440 -13.032 1.00 31.12 C ATOM 1365 C ASN B 187 -1.210 18.541 -12.010 1.00 1.11 C ATOM 1366 O ASN B 187 -0.554 19.537 -12.312 1.00 22.44 O ATOM 1367 CB ASN B 187 -2.675 17.815 -13.904 1.00 52.13 C ATOM 1368 CG ASN B 187 -2.539 19.197 -14.512 1.00 10.54 C ATOM 1369 OD1 ASN B 187 -3.344 20.088 -14.242 1.00 12.34 O ATOM 1370 ND2 ASN B 187 -1.516 19.381 -15.339 1.00 1.22 N ATOM 0 H ASN B 187 -2.651 15.789 -12.493 1.00 73.53 H new ATOM 0 HA ASN B 187 -0.592 17.337 -13.664 1.00 31.12 H new ATOM 0 HB2 ASN B 187 -2.785 17.080 -14.701 1.00 52.13 H new ATOM 0 HB3 ASN B 187 -3.584 17.773 -13.303 1.00 52.13 H new ATOM 0 HD21 ASN B 187 -1.373 20.290 -15.779 1.00 1.22 H new ATOM 0 HD22 ASN B 187 -0.873 18.613 -15.534 1.00 1.22 H new ATOM 1377 N ALA B 188 -1.726 18.354 -10.800 1.00 30.41 N ATOM 1378 CA ALA B 188 -1.544 19.330 -9.733 1.00 60.11 C ATOM 1379 C ALA B 188 -0.064 19.571 -9.456 1.00 43.33 C ATOM 1380 O ALA B 188 0.347 20.692 -9.158 1.00 3.44 O ATOM 1381 CB ALA B 188 -2.251 18.866 -8.468 1.00 4.15 C ATOM 0 H ALA B 188 -2.273 17.535 -10.534 1.00 30.41 H new ATOM 0 HA ALA B 188 -1.984 20.273 -10.057 1.00 60.11 H new ATOM 0 HB1 ALA B 188 -2.107 19.604 -7.679 1.00 4.15 H new ATOM 0 HB2 ALA B 188 -3.316 18.752 -8.668 1.00 4.15 H new ATOM 0 HB3 ALA B 188 -1.837 17.909 -8.150 1.00 4.15 H new ATOM 1387 N PHE B 189 0.733 18.512 -9.555 1.00 54.54 N ATOM 1388 CA PHE B 189 2.167 18.608 -9.314 1.00 2.53 C ATOM 1389 C PHE B 189 2.798 19.672 -10.206 1.00 1.02 C ATOM 1390 O PHE B 189 3.830 20.250 -9.866 1.00 1.32 O ATOM 1391 CB PHE B 189 2.839 17.255 -9.561 1.00 62.54 C ATOM 1392 CG PHE B 189 2.395 16.182 -8.609 1.00 73.12 C ATOM 1393 CD1 PHE B 189 2.288 16.443 -7.252 1.00 2.51 C ATOM 1394 CD2 PHE B 189 2.084 14.913 -9.070 1.00 73.21 C ATOM 1395 CE1 PHE B 189 1.880 15.456 -6.374 1.00 3.12 C ATOM 1396 CE2 PHE B 189 1.676 13.923 -8.196 1.00 75.03 C ATOM 1397 CZ PHE B 189 1.572 14.196 -6.846 1.00 15.52 C ATOM 0 H PHE B 189 0.409 17.577 -9.801 1.00 54.54 H new ATOM 0 HA PHE B 189 2.317 18.896 -8.273 1.00 2.53 H new ATOM 0 HB2 PHE B 189 2.628 16.934 -10.581 1.00 62.54 H new ATOM 0 HB3 PHE B 189 3.919 17.375 -9.482 1.00 62.54 H new ATOM 0 HD1 PHE B 189 2.526 17.427 -6.877 1.00 2.51 H new ATOM 0 HD2 PHE B 189 2.161 14.695 -10.125 1.00 73.21 H new ATOM 0 HE1 PHE B 189 1.802 15.671 -5.318 1.00 3.12 H new ATOM 0 HE2 PHE B 189 1.439 12.937 -8.568 1.00 75.03 H new ATOM 0 HZ PHE B 189 1.250 13.425 -6.161 1.00 15.52 H new ATOM 1407 N GLY B 190 2.169 19.927 -11.349 1.00 21.34 N ATOM 1408 CA GLY B 190 2.684 20.922 -12.273 1.00 50.43 C ATOM 1409 C GLY B 190 3.686 20.341 -13.251 1.00 62.34 C ATOM 1410 O GLY B 190 4.864 20.186 -12.926 1.00 33.11 O ATOM 0 H GLY B 190 1.313 19.463 -11.652 1.00 21.34 H new ATOM 0 HA2 GLY B 190 1.855 21.363 -12.826 1.00 50.43 H new ATOM 0 HA3 GLY B 190 3.156 21.727 -11.710 1.00 50.43 H new ATOM 1414 N LEU B 191 3.219 20.016 -14.451 1.00 14.20 N ATOM 1415 CA LEU B 191 4.083 19.447 -15.481 1.00 64.01 C ATOM 1416 C LEU B 191 3.721 19.993 -16.858 1.00 52.44 C ATOM 1417 O LEU B 191 4.433 20.829 -17.412 1.00 70.23 O ATOM 1418 CB LEU B 191 3.974 17.922 -15.479 1.00 45.21 C ATOM 1419 CG LEU B 191 4.635 17.203 -14.302 1.00 1.24 C ATOM 1420 CD1 LEU B 191 3.698 16.158 -13.719 1.00 41.44 C ATOM 1421 CD2 LEU B 191 5.946 16.563 -14.737 1.00 32.21 C ATOM 0 H LEU B 191 2.247 20.136 -14.736 1.00 14.20 H new ATOM 0 HA LEU B 191 5.111 19.732 -15.257 1.00 64.01 H new ATOM 0 HB2 LEU B 191 2.918 17.653 -15.496 1.00 45.21 H new ATOM 0 HB3 LEU B 191 4.414 17.545 -16.402 1.00 45.21 H new ATOM 0 HG LEU B 191 4.851 17.939 -13.527 1.00 1.24 H new ATOM 0 HD11 LEU B 191 4.186 15.657 -12.883 1.00 41.44 H new ATOM 0 HD12 LEU B 191 2.786 16.642 -13.370 1.00 41.44 H new ATOM 0 HD13 LEU B 191 3.449 15.424 -14.486 1.00 41.44 H new ATOM 0 HD21 LEU B 191 6.403 16.056 -13.887 1.00 32.21 H new ATOM 0 HD22 LEU B 191 5.753 15.840 -15.530 1.00 32.21 H new ATOM 0 HD23 LEU B 191 6.622 17.334 -15.106 1.00 32.21 H new ATOM 1433 N ASN B 192 2.607 19.515 -17.404 1.00 43.13 N ATOM 1434 CA ASN B 192 2.150 19.955 -18.717 1.00 70.23 C ATOM 1435 C ASN B 192 0.842 19.266 -19.097 1.00 1.22 C ATOM 1436 O ASN B 192 -0.225 19.878 -19.065 1.00 12.51 O ATOM 1437 CB ASN B 192 3.217 19.670 -19.775 1.00 60.03 C ATOM 1438 CG ASN B 192 3.868 20.936 -20.296 1.00 2.13 C ATOM 1439 OD1 ASN B 192 5.091 21.075 -20.268 1.00 64.10 O ATOM 1440 ND2 ASN B 192 3.052 21.867 -20.774 1.00 25.31 N ATOM 0 H ASN B 192 2.005 18.823 -16.958 1.00 43.13 H new ATOM 0 HA ASN B 192 1.974 21.030 -18.671 1.00 70.23 H new ATOM 0 HB2 ASN B 192 3.982 19.020 -19.350 1.00 60.03 H new ATOM 0 HB3 ASN B 192 2.765 19.129 -20.606 1.00 60.03 H new ATOM 0 HD21 ASN B 192 3.432 22.741 -21.138 1.00 25.31 H new ATOM 0 HD22 ASN B 192 2.044 21.709 -20.778 1.00 25.31 H new ATOM 1447 N GLU B 193 0.936 17.989 -19.455 1.00 11.31 N ATOM 1448 CA GLU B 193 -0.239 17.217 -19.841 1.00 2.23 C ATOM 1449 C GLU B 193 0.133 15.764 -20.124 1.00 13.23 C ATOM 1450 O GLU B 193 -0.521 14.840 -19.642 1.00 11.31 O ATOM 1451 CB GLU B 193 -0.900 17.835 -21.075 1.00 64.20 C ATOM 1452 CG GLU B 193 -2.294 18.378 -20.811 1.00 65.50 C ATOM 1453 CD GLU B 193 -3.037 18.726 -22.086 1.00 23.04 C ATOM 1454 OE1 GLU B 193 -2.528 18.395 -23.178 1.00 71.44 O1- ATOM 1455 OE2 GLU B 193 -4.126 19.329 -21.993 1.00 62.53 O ATOM 0 H GLU B 193 1.812 17.468 -19.486 1.00 11.31 H new ATOM 0 HA GLU B 193 -0.945 17.238 -19.010 1.00 2.23 H new ATOM 0 HB2 GLU B 193 -0.270 18.642 -21.449 1.00 64.20 H new ATOM 0 HB3 GLU B 193 -0.955 17.083 -21.862 1.00 64.20 H new ATOM 0 HG2 GLU B 193 -2.867 17.639 -20.251 1.00 65.50 H new ATOM 0 HG3 GLU B 193 -2.221 19.266 -20.184 1.00 65.50 H new ATOM 1462 N GLU B 194 1.189 15.573 -20.909 1.00 13.52 N ATOM 1463 CA GLU B 194 1.648 14.233 -21.258 1.00 52.20 C ATOM 1464 C GLU B 194 2.163 13.496 -20.025 1.00 0.21 C ATOM 1465 O GLU B 194 1.889 12.311 -19.837 1.00 72.50 O ATOM 1466 CB GLU B 194 2.748 14.306 -22.319 1.00 52.13 C ATOM 1467 CG GLU B 194 2.218 14.454 -23.736 1.00 23.44 C ATOM 1468 CD GLU B 194 1.760 13.137 -24.329 1.00 63.21 C ATOM 1469 OE1 GLU B 194 1.919 12.097 -23.656 1.00 62.21 O ATOM 1470 OE2 GLU B 194 1.244 13.145 -25.466 1.00 53.04 O1- ATOM 0 H GLU B 194 1.742 16.328 -21.315 1.00 13.52 H new ATOM 0 HA GLU B 194 0.800 13.680 -21.662 1.00 52.20 H new ATOM 0 HB2 GLU B 194 3.402 15.149 -22.095 1.00 52.13 H new ATOM 0 HB3 GLU B 194 3.358 13.405 -22.260 1.00 52.13 H new ATOM 0 HG2 GLU B 194 1.385 15.157 -23.737 1.00 23.44 H new ATOM 0 HG3 GLU B 194 2.996 14.881 -24.368 1.00 23.44 H new ATOM 1477 N ASP B 195 2.912 14.207 -19.189 1.00 52.20 N ATOM 1478 CA ASP B 195 3.466 13.622 -17.973 1.00 33.34 C ATOM 1479 C ASP B 195 2.355 13.126 -17.054 1.00 62.03 C ATOM 1480 O ASP B 195 2.509 12.117 -16.365 1.00 64.00 O ATOM 1481 CB ASP B 195 4.333 14.646 -17.240 1.00 24.32 C ATOM 1482 CG ASP B 195 5.590 15.000 -18.010 1.00 1.30 C ATOM 1483 OD1 ASP B 195 6.451 14.111 -18.181 1.00 63.33 O1- ATOM 1484 OD2 ASP B 195 5.713 16.165 -18.442 1.00 11.24 O ATOM 0 H ASP B 195 3.149 15.189 -19.331 1.00 52.20 H new ATOM 0 HA ASP B 195 4.084 12.770 -18.257 1.00 33.34 H new ATOM 0 HB2 ASP B 195 3.751 15.551 -17.065 1.00 24.32 H new ATOM 0 HB3 ASP B 195 4.609 14.250 -16.263 1.00 24.32 H new ATOM 1489 N THR B 196 1.234 13.841 -17.047 1.00 14.54 N ATOM 1490 CA THR B 196 0.099 13.474 -16.211 1.00 73.12 C ATOM 1491 C THR B 196 -0.557 12.191 -16.707 1.00 53.22 C ATOM 1492 O THR B 196 -0.822 11.277 -15.927 1.00 30.22 O ATOM 1493 CB THR B 196 -0.956 14.596 -16.174 1.00 55.35 C ATOM 1494 OG1 THR B 196 -0.352 15.824 -15.755 1.00 51.14 O ATOM 1495 CG2 THR B 196 -2.095 14.237 -15.231 1.00 14.34 C ATOM 0 H THR B 196 1.089 14.678 -17.612 1.00 14.54 H new ATOM 0 HA THR B 196 0.486 13.315 -15.204 1.00 73.12 H new ATOM 0 HB THR B 196 -1.361 14.716 -17.179 1.00 55.35 H new ATOM 0 HG1 THR B 196 -0.984 16.561 -15.888 1.00 51.14 H new ATOM 0 HG21 THR B 196 -2.828 15.044 -15.221 1.00 14.34 H new ATOM 0 HG22 THR B 196 -2.572 13.318 -15.570 1.00 14.34 H new ATOM 0 HG23 THR B 196 -1.702 14.092 -14.225 1.00 14.34 H new ATOM 1503 N ASN B 197 -0.818 12.129 -18.009 1.00 5.23 N ATOM 1504 CA ASN B 197 -1.443 10.956 -18.609 1.00 3.12 C ATOM 1505 C ASN B 197 -0.501 9.756 -18.569 1.00 23.35 C ATOM 1506 O ASN B 197 -0.930 8.623 -18.350 1.00 14.35 O ATOM 1507 CB ASN B 197 -1.849 11.252 -20.053 1.00 14.42 C ATOM 1508 CG ASN B 197 -2.599 10.098 -20.691 1.00 32.10 C ATOM 1509 OD1 ASN B 197 -3.004 9.155 -20.011 1.00 71.45 O ATOM 1510 ND2 ASN B 197 -2.787 10.168 -22.003 1.00 54.44 N ATOM 0 H ASN B 197 -0.606 12.878 -18.669 1.00 5.23 H new ATOM 0 HA ASN B 197 -2.334 10.714 -18.030 1.00 3.12 H new ATOM 0 HB2 ASN B 197 -2.474 12.145 -20.076 1.00 14.42 H new ATOM 0 HB3 ASN B 197 -0.958 11.471 -20.641 1.00 14.42 H new ATOM 0 HD21 ASN B 197 -3.285 9.421 -22.487 1.00 54.44 H new ATOM 0 HD22 ASN B 197 -2.434 10.969 -22.527 1.00 54.44 H new ATOM 1517 N LEU B 198 0.786 10.015 -18.779 1.00 35.01 N ATOM 1518 CA LEU B 198 1.790 8.957 -18.768 1.00 61.03 C ATOM 1519 C LEU B 198 1.830 8.259 -17.411 1.00 12.30 C ATOM 1520 O LEU B 198 2.000 7.041 -17.332 1.00 33.33 O ATOM 1521 CB LEU B 198 3.168 9.531 -19.099 1.00 24.54 C ATOM 1522 CG LEU B 198 4.272 8.511 -19.380 1.00 53.05 C ATOM 1523 CD1 LEU B 198 4.057 7.853 -20.734 1.00 23.34 C ATOM 1524 CD2 LEU B 198 5.640 9.173 -19.316 1.00 34.22 C ATOM 0 H LEU B 198 1.158 10.948 -18.959 1.00 35.01 H new ATOM 0 HA LEU B 198 1.517 8.223 -19.526 1.00 61.03 H new ATOM 0 HB2 LEU B 198 3.070 10.179 -19.970 1.00 24.54 H new ATOM 0 HB3 LEU B 198 3.486 10.161 -18.268 1.00 24.54 H new ATOM 0 HG LEU B 198 4.230 7.738 -18.613 1.00 53.05 H new ATOM 0 HD11 LEU B 198 4.852 7.130 -20.918 1.00 23.34 H new ATOM 0 HD12 LEU B 198 3.094 7.343 -20.742 1.00 23.34 H new ATOM 0 HD13 LEU B 198 4.071 8.614 -21.515 1.00 23.34 H new ATOM 0 HD21 LEU B 198 6.413 8.432 -19.519 1.00 34.22 H new ATOM 0 HD22 LEU B 198 5.695 9.967 -20.060 1.00 34.22 H new ATOM 0 HD23 LEU B 198 5.794 9.595 -18.323 1.00 34.22 H new ATOM 1536 N LEU B 199 1.669 9.037 -16.347 1.00 22.03 N ATOM 1537 CA LEU B 199 1.684 8.494 -14.993 1.00 42.13 C ATOM 1538 C LEU B 199 0.533 7.516 -14.787 1.00 62.43 C ATOM 1539 O LEU B 199 0.729 6.405 -14.295 1.00 4.42 O ATOM 1540 CB LEU B 199 1.598 9.626 -13.968 1.00 62.33 C ATOM 1541 CG LEU B 199 1.264 9.209 -12.534 1.00 13.13 C ATOM 1542 CD1 LEU B 199 2.072 10.026 -11.539 1.00 32.03 C ATOM 1543 CD2 LEU B 199 -0.227 9.362 -12.268 1.00 22.20 C ATOM 0 H LEU B 199 1.527 10.046 -16.395 1.00 22.03 H new ATOM 0 HA LEU B 199 2.622 7.957 -14.853 1.00 42.13 H new ATOM 0 HB2 LEU B 199 2.551 10.154 -13.959 1.00 62.33 H new ATOM 0 HB3 LEU B 199 0.843 10.337 -14.304 1.00 62.33 H new ATOM 0 HG LEU B 199 1.529 8.159 -12.410 1.00 13.13 H new ATOM 0 HD11 LEU B 199 1.821 9.716 -10.525 1.00 32.03 H new ATOM 0 HD12 LEU B 199 3.136 9.865 -11.715 1.00 32.03 H new ATOM 0 HD13 LEU B 199 1.839 11.084 -11.663 1.00 32.03 H new ATOM 0 HD21 LEU B 199 -0.447 9.061 -11.244 1.00 22.20 H new ATOM 0 HD22 LEU B 199 -0.517 10.403 -12.410 1.00 22.20 H new ATOM 0 HD23 LEU B 199 -0.786 8.732 -12.959 1.00 22.20 H new ATOM 1555 N ILE B 200 -0.669 7.936 -15.167 1.00 51.24 N ATOM 1556 CA ILE B 200 -1.852 7.095 -15.026 1.00 3.23 C ATOM 1557 C ILE B 200 -1.691 5.787 -15.792 1.00 31.11 C ATOM 1558 O ILE B 200 -2.236 4.756 -15.402 1.00 73.12 O ATOM 1559 CB ILE B 200 -3.118 7.816 -15.525 1.00 63.10 C ATOM 1560 CG1 ILE B 200 -3.380 9.071 -14.688 1.00 53.35 C ATOM 1561 CG2 ILE B 200 -4.316 6.879 -15.475 1.00 63.43 C ATOM 1562 CD1 ILE B 200 -4.625 9.824 -15.102 1.00 2.44 C ATOM 0 H ILE B 200 -0.850 8.853 -15.575 1.00 51.24 H new ATOM 0 HA ILE B 200 -1.961 6.880 -13.963 1.00 3.23 H new ATOM 0 HB ILE B 200 -2.962 8.119 -16.560 1.00 63.10 H new ATOM 0 HG12 ILE B 200 -3.469 8.787 -13.640 1.00 53.35 H new ATOM 0 HG13 ILE B 200 -2.520 9.736 -14.766 1.00 53.35 H new ATOM 0 HG21 ILE B 200 -5.203 7.403 -15.831 1.00 63.43 H new ATOM 0 HG22 ILE B 200 -4.127 6.013 -16.110 1.00 63.43 H new ATOM 0 HG23 ILE B 200 -4.477 6.549 -14.449 1.00 63.43 H new ATOM 0 HD11 ILE B 200 -4.748 10.701 -14.466 1.00 2.44 H new ATOM 0 HD12 ILE B 200 -4.531 10.139 -16.141 1.00 2.44 H new ATOM 0 HD13 ILE B 200 -5.494 9.175 -14.997 1.00 2.44 H new ATOM 1574 N ASN B 201 -0.936 5.836 -16.885 1.00 0.12 N ATOM 1575 CA ASN B 201 -0.701 4.654 -17.706 1.00 60.11 C ATOM 1576 C ASN B 201 0.060 3.590 -16.922 1.00 4.42 C ATOM 1577 O ASN B 201 -0.230 2.399 -17.029 1.00 10.45 O ATOM 1578 CB ASN B 201 0.080 5.031 -18.967 1.00 42.53 C ATOM 1579 CG ASN B 201 -0.529 4.436 -20.222 1.00 1.32 C ATOM 1580 OD1 ASN B 201 -1.104 5.148 -21.046 1.00 65.43 O ATOM 1581 ND2 ASN B 201 -0.404 3.122 -20.375 1.00 3.33 N ATOM 0 H ASN B 201 -0.477 6.682 -17.222 1.00 0.12 H new ATOM 0 HA ASN B 201 -1.669 4.244 -17.995 1.00 60.11 H new ATOM 0 HB2 ASN B 201 0.112 6.116 -19.061 1.00 42.53 H new ATOM 0 HB3 ASN B 201 1.110 4.689 -18.869 1.00 42.53 H new ATOM 0 HD21 ASN B 201 -0.792 2.665 -21.200 1.00 3.33 H new ATOM 0 HD22 ASN B 201 0.080 2.570 -19.667 1.00 3.33 H new ATOM 1588 N ALA B 202 1.036 4.028 -16.133 1.00 10.14 N ATOM 1589 CA ALA B 202 1.838 3.114 -15.330 1.00 24.54 C ATOM 1590 C ALA B 202 1.043 2.589 -14.140 1.00 63.12 C ATOM 1591 O ALA B 202 1.127 1.410 -13.795 1.00 11.20 O ATOM 1592 CB ALA B 202 3.108 3.804 -14.854 1.00 30.24 C ATOM 0 H ALA B 202 1.290 5.011 -16.033 1.00 10.14 H new ATOM 0 HA ALA B 202 2.112 2.265 -15.956 1.00 24.54 H new ATOM 0 HB1 ALA B 202 3.697 3.109 -14.255 1.00 30.24 H new ATOM 0 HB2 ALA B 202 3.692 4.126 -15.716 1.00 30.24 H new ATOM 0 HB3 ALA B 202 2.846 4.672 -14.249 1.00 30.24 H new ATOM 1598 N VAL B 203 0.271 3.471 -13.512 1.00 32.04 N ATOM 1599 CA VAL B 203 -0.540 3.095 -12.360 1.00 1.04 C ATOM 1600 C VAL B 203 -1.672 2.158 -12.767 1.00 3.41 C ATOM 1601 O VAL B 203 -1.844 1.087 -12.184 1.00 33.15 O ATOM 1602 CB VAL B 203 -1.138 4.334 -11.667 1.00 14.42 C ATOM 1603 CG1 VAL B 203 -1.687 3.966 -10.297 1.00 34.25 C ATOM 1604 CG2 VAL B 203 -0.096 5.437 -11.555 1.00 11.11 C ATOM 0 H VAL B 203 0.190 4.451 -13.782 1.00 32.04 H new ATOM 0 HA VAL B 203 0.120 2.580 -11.662 1.00 1.04 H new ATOM 0 HB VAL B 203 -1.963 4.706 -12.274 1.00 14.42 H new ATOM 0 HG11 VAL B 203 -2.105 4.854 -9.822 1.00 34.25 H new ATOM 0 HG12 VAL B 203 -2.467 3.212 -10.408 1.00 34.25 H new ATOM 0 HG13 VAL B 203 -0.883 3.568 -9.678 1.00 34.25 H new ATOM 0 HG21 VAL B 203 -0.536 6.304 -11.063 1.00 11.11 H new ATOM 0 HG22 VAL B 203 0.751 5.079 -10.970 1.00 11.11 H new ATOM 0 HG23 VAL B 203 0.244 5.719 -12.552 1.00 11.11 H new ATOM 1614 N ASP B 204 -2.440 2.567 -13.771 1.00 5.25 N ATOM 1615 CA ASP B 204 -3.554 1.763 -14.257 1.00 62.42 C ATOM 1616 C ASP B 204 -3.068 0.409 -14.763 1.00 62.04 C ATOM 1617 O ASP B 204 -3.595 -0.635 -14.378 1.00 44.50 O ATOM 1618 CB ASP B 204 -4.296 2.502 -15.373 1.00 3.15 C ATOM 1619 CG ASP B 204 -5.629 1.861 -15.705 1.00 23.33 C ATOM 1620 OD1 ASP B 204 -5.635 0.680 -16.110 1.00 34.21 O ATOM 1621 OD2 ASP B 204 -6.665 2.542 -15.559 1.00 60.45 O1- ATOM 0 H ASP B 204 -2.311 3.451 -14.264 1.00 5.25 H new ATOM 0 HA ASP B 204 -4.238 1.595 -13.425 1.00 62.42 H new ATOM 0 HB2 ASP B 204 -4.459 3.537 -15.074 1.00 3.15 H new ATOM 0 HB3 ASP B 204 -3.673 2.523 -16.267 1.00 3.15 H new ATOM 1626 N LEU B 205 -2.060 0.434 -15.629 1.00 41.15 N ATOM 1627 CA LEU B 205 -1.503 -0.793 -16.190 1.00 24.32 C ATOM 1628 C LEU B 205 -0.999 -1.715 -15.085 1.00 23.01 C ATOM 1629 O LEU B 205 -1.025 -2.938 -15.223 1.00 54.24 O ATOM 1630 CB LEU B 205 -0.363 -0.463 -17.154 1.00 32.25 C ATOM 1631 CG LEU B 205 0.365 -1.659 -17.767 1.00 5.21 C ATOM 1632 CD1 LEU B 205 0.633 -1.423 -19.245 1.00 74.11 C ATOM 1633 CD2 LEU B 205 1.667 -1.929 -17.024 1.00 70.32 C ATOM 0 H LEU B 205 -1.612 1.289 -15.958 1.00 41.15 H new ATOM 0 HA LEU B 205 -2.294 -1.308 -16.735 1.00 24.32 H new ATOM 0 HB2 LEU B 205 -0.764 0.147 -17.964 1.00 32.25 H new ATOM 0 HB3 LEU B 205 0.367 0.149 -16.625 1.00 32.25 H new ATOM 0 HG LEU B 205 -0.275 -2.536 -17.671 1.00 5.21 H new ATOM 0 HD11 LEU B 205 1.152 -2.286 -19.663 1.00 74.11 H new ATOM 0 HD12 LEU B 205 -0.313 -1.280 -19.768 1.00 74.11 H new ATOM 0 HD13 LEU B 205 1.252 -0.534 -19.365 1.00 74.11 H new ATOM 0 HD21 LEU B 205 2.172 -2.784 -17.474 1.00 70.32 H new ATOM 0 HD22 LEU B 205 2.311 -1.052 -17.088 1.00 70.32 H new ATOM 0 HD23 LEU B 205 1.451 -2.145 -15.978 1.00 70.32 H new ATOM 1645 N ASP B 206 -0.541 -1.122 -13.988 1.00 71.40 N ATOM 1646 CA ASP B 206 -0.034 -1.891 -12.857 1.00 70.10 C ATOM 1647 C ASP B 206 -1.139 -2.739 -12.237 1.00 62.24 C ATOM 1648 O ASP B 206 -0.949 -3.925 -11.969 1.00 3.31 O ATOM 1649 CB ASP B 206 0.561 -0.956 -11.803 1.00 11.54 C ATOM 1650 CG ASP B 206 2.062 -1.124 -11.661 1.00 52.23 C ATOM 1651 OD1 ASP B 206 2.494 -2.188 -11.171 1.00 43.22 O1- ATOM 1652 OD2 ASP B 206 2.802 -0.193 -12.039 1.00 11.53 O ATOM 0 H ASP B 206 -0.510 -0.111 -13.858 1.00 71.40 H new ATOM 0 HA ASP B 206 0.747 -2.557 -13.223 1.00 70.10 H new ATOM 0 HB2 ASP B 206 0.338 0.077 -12.070 1.00 11.54 H new ATOM 0 HB3 ASP B 206 0.084 -1.147 -10.842 1.00 11.54 H new ATOM 1657 N ILE B 207 -2.294 -2.122 -12.009 1.00 20.22 N ATOM 1658 CA ILE B 207 -3.429 -2.820 -11.420 1.00 73.43 C ATOM 1659 C ILE B 207 -3.967 -3.892 -12.363 1.00 24.05 C ATOM 1660 O ILE B 207 -4.231 -5.021 -11.951 1.00 13.02 O ATOM 1661 CB ILE B 207 -4.569 -1.845 -11.068 1.00 22.11 C ATOM 1662 CG1 ILE B 207 -4.162 -0.954 -9.892 1.00 54.23 C ATOM 1663 CG2 ILE B 207 -5.842 -2.613 -10.743 1.00 25.05 C ATOM 1664 CD1 ILE B 207 -3.919 0.487 -10.282 1.00 51.24 C ATOM 0 H ILE B 207 -2.468 -1.140 -12.224 1.00 20.22 H new ATOM 0 HA ILE B 207 -3.068 -3.291 -10.506 1.00 73.43 H new ATOM 0 HB ILE B 207 -4.763 -1.209 -11.931 1.00 22.11 H new ATOM 0 HG12 ILE B 207 -4.943 -0.990 -9.132 1.00 54.23 H new ATOM 0 HG13 ILE B 207 -3.257 -1.357 -9.438 1.00 54.23 H new ATOM 0 HG21 ILE B 207 -6.638 -1.910 -10.496 1.00 25.05 H new ATOM 0 HG22 ILE B 207 -6.138 -3.208 -11.607 1.00 25.05 H new ATOM 0 HG23 ILE B 207 -5.663 -3.271 -9.893 1.00 25.05 H new ATOM 0 HD11 ILE B 207 -3.634 1.060 -9.399 1.00 51.24 H new ATOM 0 HD12 ILE B 207 -3.117 0.534 -11.019 1.00 51.24 H new ATOM 0 HD13 ILE B 207 -4.830 0.907 -10.709 1.00 51.24 H new ATOM 1676 N LYS B 208 -4.122 -3.530 -13.633 1.00 44.35 N ATOM 1677 CA LYS B 208 -4.624 -4.460 -14.637 1.00 61.04 C ATOM 1678 C LYS B 208 -3.642 -5.608 -14.854 1.00 73.23 C ATOM 1679 O LYS B 208 -4.046 -6.753 -15.051 1.00 42.23 O ATOM 1680 CB LYS B 208 -4.871 -3.731 -15.959 1.00 32.45 C ATOM 1681 CG LYS B 208 -5.670 -4.544 -16.962 1.00 73.04 C ATOM 1682 CD LYS B 208 -4.771 -5.179 -18.009 1.00 24.30 C ATOM 1683 CE LYS B 208 -4.849 -4.438 -19.335 1.00 55.41 C ATOM 1684 NZ LYS B 208 -4.220 -5.213 -20.441 1.00 73.24 N1+ ATOM 0 H LYS B 208 -3.907 -2.599 -13.990 1.00 44.35 H new ATOM 0 HA LYS B 208 -5.566 -4.873 -14.275 1.00 61.04 H new ATOM 0 HB2 LYS B 208 -5.399 -2.799 -15.757 1.00 32.45 H new ATOM 0 HB3 LYS B 208 -3.911 -3.465 -16.402 1.00 32.45 H new ATOM 0 HG2 LYS B 208 -6.227 -5.322 -16.440 1.00 73.04 H new ATOM 0 HG3 LYS B 208 -6.402 -3.902 -17.451 1.00 73.04 H new ATOM 0 HD2 LYS B 208 -3.741 -5.181 -17.652 1.00 24.30 H new ATOM 0 HD3 LYS B 208 -5.060 -6.220 -18.155 1.00 24.30 H new ATOM 0 HE2 LYS B 208 -5.892 -4.239 -19.579 1.00 55.41 H new ATOM 0 HE3 LYS B 208 -4.353 -3.472 -19.241 1.00 55.41 H new ATOM 0 HZ1 LYS B 208 -4.294 -4.675 -21.328 1.00 73.24 H new ATOM 0 HZ2 LYS B 208 -3.218 -5.382 -20.220 1.00 73.24 H new ATOM 0 HZ3 LYS B 208 -4.709 -6.125 -20.548 1.00 73.24 H new ATOM 1698 N ASN B 209 -2.352 -5.292 -14.815 1.00 2.31 N ATOM 1699 CA ASN B 209 -1.313 -6.298 -15.006 1.00 54.51 C ATOM 1700 C ASN B 209 -1.369 -7.354 -13.906 1.00 55.20 C ATOM 1701 O ASN B 209 -1.182 -8.542 -14.162 1.00 2.44 O ATOM 1702 CB ASN B 209 0.067 -5.639 -15.025 1.00 35.10 C ATOM 1703 CG ASN B 209 1.192 -6.650 -14.929 1.00 5.41 C ATOM 1704 OD1 ASN B 209 1.692 -7.139 -15.943 1.00 72.33 O ATOM 1705 ND2 ASN B 209 1.597 -6.970 -13.705 1.00 21.13 N ATOM 0 H ASN B 209 -2.001 -4.348 -14.653 1.00 2.31 H new ATOM 0 HA ASN B 209 -1.488 -6.787 -15.964 1.00 54.51 H new ATOM 0 HB2 ASN B 209 0.178 -5.062 -15.943 1.00 35.10 H new ATOM 0 HB3 ASN B 209 0.142 -4.936 -14.195 1.00 35.10 H new ATOM 0 HD21 ASN B 209 2.351 -7.645 -13.577 1.00 21.13 H new ATOM 0 HD22 ASN B 209 1.154 -6.540 -12.893 1.00 21.13 H new