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 Set 1.1: A 15 ASN : amide:sc= -0.219 K(o=-0.89,f=-2.8!) USER MOD Set 1.2: A 24 THR OG1 : rot -70:sc= -0.666 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.9!) USER MOD Single : A 10 THR OG1 : rot 50:sc= -0.581! USER MOD Single : A 11 LYS NZ :NH3+ -113:sc= 0.274 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.91) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0346 K(o=-0.035,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.0752 (180deg=-0.37) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 39 MET CE :methyl -139:sc= -0.253 (180deg=-1.69!) USER MOD Single : B 180 ASN : amide:sc= -0.0656 K(o=-0.066,f=-0.66) USER MOD Single : B 181 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 182 THR OG1 : rot 82:sc= 0.00418 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= -0.0419 X(o=-0.042,f=-0.21) USER MOD Single : B 192 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.39) USER MOD Single : B 196 THR OG1 : rot 170:sc= 0 USER MOD Single : B 197 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 201 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : B 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 88 N LEU A 7 0.960 -1.723 -6.813 1.00 2.50 N ATOM 89 CA LEU A 7 1.485 -0.610 -7.598 1.00 70.41 C ATOM 90 C LEU A 7 2.815 -0.124 -7.031 1.00 4.00 C ATOM 91 O LEU A 7 3.014 1.073 -6.830 1.00 60.03 O ATOM 92 CB LEU A 7 0.478 0.540 -7.625 1.00 61.33 C ATOM 93 CG LEU A 7 -0.992 0.150 -7.463 1.00 43.21 C ATOM 94 CD1 LEU A 7 -1.879 1.385 -7.499 1.00 24.51 C ATOM 95 CD2 LEU A 7 -1.404 -0.838 -8.545 1.00 51.03 C ATOM 0 HA LEU A 7 1.652 -0.962 -8.616 1.00 70.41 H new ATOM 0 HB2 LEU A 7 0.736 1.241 -6.832 1.00 61.33 H new ATOM 0 HB3 LEU A 7 0.590 1.072 -8.570 1.00 61.33 H new ATOM 0 HG LEU A 7 -1.116 -0.332 -6.493 1.00 43.21 H new ATOM 0 HD11 LEU A 7 -2.921 1.088 -7.382 1.00 24.51 H new ATOM 0 HD12 LEU A 7 -1.600 2.057 -6.687 1.00 24.51 H new ATOM 0 HD13 LEU A 7 -1.752 1.896 -8.453 1.00 24.51 H new ATOM 0 HD21 LEU A 7 -2.453 -1.104 -8.414 1.00 51.03 H new ATOM 0 HD22 LEU A 7 -1.265 -0.383 -9.526 1.00 51.03 H new ATOM 0 HD23 LEU A 7 -0.790 -1.735 -8.471 1.00 51.03 H new ATOM 107 N ASN A 8 3.723 -1.061 -6.778 1.00 62.15 N ATOM 108 CA ASN A 8 5.036 -0.727 -6.236 1.00 64.22 C ATOM 109 C ASN A 8 5.781 0.226 -7.165 1.00 1.21 C ATOM 110 O ASN A 8 6.276 1.267 -6.736 1.00 22.21 O ATOM 111 CB ASN A 8 5.860 -1.998 -6.022 1.00 2.14 C ATOM 112 CG ASN A 8 7.325 -1.701 -5.772 1.00 52.22 C ATOM 113 OD1 ASN A 8 7.673 -0.975 -4.841 1.00 71.35 O ATOM 114 ND2 ASN A 8 8.194 -2.263 -6.605 1.00 50.45 N ATOM 0 H ASN A 8 3.574 -2.057 -6.939 1.00 62.15 H new ATOM 0 HA ASN A 8 4.891 -0.231 -5.277 1.00 64.22 H new ATOM 0 HB2 ASN A 8 5.455 -2.552 -5.175 1.00 2.14 H new ATOM 0 HB3 ASN A 8 5.766 -2.640 -6.898 1.00 2.14 H new ATOM 0 HD21 ASN A 8 9.194 -2.099 -6.486 1.00 50.45 H new ATOM 0 HD22 ASN A 8 7.861 -2.858 -7.364 1.00 50.45 H new ATOM 121 N ASN A 9 5.856 -0.139 -8.442 1.00 74.33 N ATOM 122 CA ASN A 9 6.541 0.684 -9.432 1.00 72.35 C ATOM 123 C ASN A 9 5.839 2.028 -9.603 1.00 30.44 C ATOM 124 O ASN A 9 6.479 3.047 -9.861 1.00 55.54 O ATOM 125 CB ASN A 9 6.605 -0.045 -10.775 1.00 5.15 C ATOM 126 CG ASN A 9 7.403 -1.332 -10.697 1.00 34.21 C ATOM 127 OD1 ASN A 9 7.035 -2.262 -9.979 1.00 32.03 O ATOM 128 ND2 ASN A 9 8.505 -1.391 -11.437 1.00 62.04 N ATOM 0 H ASN A 9 5.451 -0.998 -8.814 1.00 74.33 H new ATOM 0 HA ASN A 9 7.555 0.867 -9.077 1.00 72.35 H new ATOM 0 HB2 ASN A 9 5.593 -0.268 -11.113 1.00 5.15 H new ATOM 0 HB3 ASN A 9 7.052 0.612 -11.521 1.00 5.15 H new ATOM 0 HD21 ASN A 9 9.083 -2.231 -11.424 1.00 62.04 H new ATOM 0 HD22 ASN A 9 8.772 -0.596 -12.018 1.00 62.04 H new ATOM 135 N THR A 10 4.518 2.021 -9.458 1.00 42.12 N ATOM 136 CA THR A 10 3.728 3.238 -9.596 1.00 2.11 C ATOM 137 C THR A 10 4.131 4.278 -8.558 1.00 15.42 C ATOM 138 O THR A 10 4.328 5.450 -8.880 1.00 41.00 O ATOM 139 CB THR A 10 2.221 2.949 -9.457 1.00 13.11 C ATOM 140 OG1 THR A 10 1.756 2.213 -10.594 1.00 23.03 O ATOM 141 CG2 THR A 10 1.431 4.242 -9.327 1.00 54.20 C ATOM 0 H THR A 10 3.972 1.186 -9.245 1.00 42.12 H new ATOM 0 HA THR A 10 3.926 3.630 -10.594 1.00 2.11 H new ATOM 0 HB THR A 10 2.070 2.357 -8.554 1.00 13.11 H new ATOM 0 HG1 THR A 10 2.348 1.449 -10.754 1.00 23.03 H new ATOM 0 HG21 THR A 10 0.370 4.012 -9.230 1.00 54.20 H new ATOM 0 HG22 THR A 10 1.766 4.786 -8.444 1.00 54.20 H new ATOM 0 HG23 THR A 10 1.590 4.856 -10.213 1.00 54.20 H new ATOM 149 N LYS A 11 4.256 3.842 -7.309 1.00 51.30 N ATOM 150 CA LYS A 11 4.639 4.734 -6.221 1.00 55.20 C ATOM 151 C LYS A 11 5.957 5.438 -6.533 1.00 0.30 C ATOM 152 O LYS A 11 6.146 6.604 -6.188 1.00 32.51 O ATOM 153 CB LYS A 11 4.766 3.951 -4.912 1.00 51.11 C ATOM 154 CG LYS A 11 5.354 4.764 -3.772 1.00 71.34 C ATOM 155 CD LYS A 11 6.706 4.219 -3.338 1.00 44.33 C ATOM 156 CE LYS A 11 7.381 5.140 -2.335 1.00 54.34 C ATOM 157 NZ LYS A 11 6.858 4.936 -0.955 1.00 53.54 N1+ ATOM 0 H LYS A 11 4.097 2.875 -7.025 1.00 51.30 H new ATOM 0 HA LYS A 11 3.860 5.488 -6.112 1.00 55.20 H new ATOM 0 HB2 LYS A 11 3.781 3.588 -4.618 1.00 51.11 H new ATOM 0 HB3 LYS A 11 5.391 3.074 -5.082 1.00 51.11 H new ATOM 0 HG2 LYS A 11 5.462 5.803 -4.083 1.00 71.34 H new ATOM 0 HG3 LYS A 11 4.668 4.754 -2.925 1.00 71.34 H new ATOM 0 HD2 LYS A 11 6.577 3.231 -2.897 1.00 44.33 H new ATOM 0 HD3 LYS A 11 7.348 4.097 -4.211 1.00 44.33 H new ATOM 0 HE2 LYS A 11 8.456 4.963 -2.346 1.00 54.34 H new ATOM 0 HE3 LYS A 11 7.226 6.177 -2.633 1.00 54.34 H new ATOM 0 HZ1 LYS A 11 6.340 5.785 -0.651 1.00 53.54 H new ATOM 0 HZ2 LYS A 11 6.217 4.117 -0.944 1.00 53.54 H new ATOM 0 HZ3 LYS A 11 7.651 4.764 -0.305 1.00 53.54 H new ATOM 171 N LYS A 12 6.863 4.722 -7.191 1.00 51.43 N ATOM 172 CA LYS A 12 8.161 5.279 -7.553 1.00 3.12 C ATOM 173 C LYS A 12 8.007 6.394 -8.583 1.00 33.24 C ATOM 174 O LYS A 12 8.646 7.441 -8.479 1.00 60.35 O ATOM 175 CB LYS A 12 9.073 4.182 -8.106 1.00 3.34 C ATOM 176 CG LYS A 12 10.496 4.249 -7.579 1.00 40.13 C ATOM 177 CD LYS A 12 11.382 3.198 -8.226 1.00 44.41 C ATOM 178 CE LYS A 12 11.396 1.909 -7.422 1.00 73.20 C ATOM 179 NZ LYS A 12 12.653 1.760 -6.636 1.00 32.25 N1+ ATOM 0 H LYS A 12 6.722 3.755 -7.484 1.00 51.43 H new ATOM 0 HA LYS A 12 8.612 5.699 -6.654 1.00 3.12 H new ATOM 0 HB2 LYS A 12 8.648 3.209 -7.858 1.00 3.34 H new ATOM 0 HB3 LYS A 12 9.094 4.253 -9.193 1.00 3.34 H new ATOM 0 HG2 LYS A 12 10.908 5.240 -7.768 1.00 40.13 H new ATOM 0 HG3 LYS A 12 10.491 4.107 -6.498 1.00 40.13 H new ATOM 0 HD2 LYS A 12 11.028 2.994 -9.236 1.00 44.41 H new ATOM 0 HD3 LYS A 12 12.398 3.583 -8.316 1.00 44.41 H new ATOM 0 HE2 LYS A 12 10.541 1.893 -6.746 1.00 73.20 H new ATOM 0 HE3 LYS A 12 11.286 1.059 -8.096 1.00 73.20 H new ATOM 0 HZ1 LYS A 12 12.624 0.869 -6.101 1.00 32.25 H new ATOM 0 HZ2 LYS A 12 13.468 1.750 -7.283 1.00 32.25 H new ATOM 0 HZ3 LYS A 12 12.746 2.558 -5.975 1.00 32.25 H new ATOM 193 N VAL A 13 7.155 6.162 -9.577 1.00 31.15 N ATOM 194 CA VAL A 13 6.916 7.148 -10.623 1.00 0.55 C ATOM 195 C VAL A 13 6.198 8.373 -10.071 1.00 62.32 C ATOM 196 O VAL A 13 6.535 9.508 -10.408 1.00 35.14 O ATOM 197 CB VAL A 13 6.082 6.553 -11.775 1.00 54.20 C ATOM 198 CG1 VAL A 13 6.005 7.529 -12.939 1.00 74.35 C ATOM 199 CG2 VAL A 13 6.666 5.222 -12.222 1.00 24.32 C ATOM 0 H VAL A 13 6.619 5.300 -9.679 1.00 31.15 H new ATOM 0 HA VAL A 13 7.892 7.445 -11.006 1.00 0.55 H new ATOM 0 HB VAL A 13 5.069 6.376 -11.414 1.00 54.20 H new ATOM 0 HG11 VAL A 13 5.412 7.091 -13.742 1.00 74.35 H new ATOM 0 HG12 VAL A 13 5.537 8.456 -12.606 1.00 74.35 H new ATOM 0 HG13 VAL A 13 7.010 7.741 -13.304 1.00 74.35 H new ATOM 0 HG21 VAL A 13 6.065 4.816 -13.036 1.00 24.32 H new ATOM 0 HG22 VAL A 13 7.690 5.371 -12.566 1.00 24.32 H new ATOM 0 HG23 VAL A 13 6.663 4.524 -11.385 1.00 24.32 H new ATOM 209 N ALA A 14 5.205 8.137 -9.220 1.00 1.13 N ATOM 210 CA ALA A 14 4.440 9.221 -8.618 1.00 75.14 C ATOM 211 C ALA A 14 5.271 9.971 -7.583 1.00 35.32 C ATOM 212 O ALA A 14 5.104 11.174 -7.392 1.00 53.41 O ATOM 213 CB ALA A 14 3.167 8.681 -7.984 1.00 24.31 C ATOM 0 H ALA A 14 4.912 7.204 -8.932 1.00 1.13 H new ATOM 0 HA ALA A 14 4.170 9.923 -9.407 1.00 75.14 H new ATOM 0 HB1 ALA A 14 2.606 9.502 -7.538 1.00 24.31 H new ATOM 0 HB2 ALA A 14 2.557 8.197 -8.747 1.00 24.31 H new ATOM 0 HB3 ALA A 14 3.424 7.956 -7.212 1.00 24.31 H new ATOM 219 N ASN A 15 6.169 9.251 -6.917 1.00 24.32 N ATOM 220 CA ASN A 15 7.026 9.849 -5.900 1.00 72.33 C ATOM 221 C ASN A 15 8.370 10.259 -6.493 1.00 1.32 C ATOM 222 O ASN A 15 9.357 10.414 -5.774 1.00 24.23 O ATOM 223 CB ASN A 15 7.243 8.869 -4.746 1.00 21.44 C ATOM 224 CG ASN A 15 7.585 9.571 -3.446 1.00 43.35 C ATOM 225 OD1 ASN A 15 7.251 10.740 -3.254 1.00 53.14 O ATOM 226 ND2 ASN A 15 8.252 8.859 -2.545 1.00 3.21 N ATOM 0 H ASN A 15 6.322 8.253 -7.064 1.00 24.32 H new ATOM 0 HA ASN A 15 6.529 10.742 -5.521 1.00 72.33 H new ATOM 0 HB2 ASN A 15 6.342 8.271 -4.607 1.00 21.44 H new ATOM 0 HB3 ASN A 15 8.046 8.179 -5.005 1.00 21.44 H new ATOM 0 HD21 ASN A 15 8.508 9.279 -1.651 1.00 3.21 H new ATOM 0 HD22 ASN A 15 8.508 7.893 -2.747 1.00 3.21 H new ATOM 233 N ALA A 16 8.401 10.432 -7.810 1.00 2.11 N ATOM 234 CA ALA A 16 9.622 10.827 -8.501 1.00 13.33 C ATOM 235 C ALA A 16 9.667 12.335 -8.718 1.00 0.30 C ATOM 236 O ALA A 16 10.742 12.922 -8.854 1.00 24.50 O ATOM 237 CB ALA A 16 9.735 10.096 -9.831 1.00 14.11 C ATOM 0 H ALA A 16 7.594 10.305 -8.420 1.00 2.11 H new ATOM 0 HA ALA A 16 10.470 10.552 -7.874 1.00 13.33 H new ATOM 0 HB1 ALA A 16 10.651 10.400 -10.337 1.00 14.11 H new ATOM 0 HB2 ALA A 16 9.758 9.021 -9.654 1.00 14.11 H new ATOM 0 HB3 ALA A 16 8.877 10.343 -10.456 1.00 14.11 H new ATOM 243 N PHE A 17 8.494 12.959 -8.752 1.00 11.34 N ATOM 244 CA PHE A 17 8.400 14.400 -8.955 1.00 11.11 C ATOM 245 C PHE A 17 9.097 15.155 -7.827 1.00 73.45 C ATOM 246 O PHE A 17 9.756 16.168 -8.056 1.00 3.45 O ATOM 247 CB PHE A 17 6.934 14.830 -9.042 1.00 21.14 C ATOM 248 CG PHE A 17 6.255 14.390 -10.308 1.00 20.55 C ATOM 249 CD1 PHE A 17 6.882 14.538 -11.535 1.00 51.25 C ATOM 250 CD2 PHE A 17 4.989 13.826 -10.270 1.00 12.40 C ATOM 251 CE1 PHE A 17 6.260 14.134 -12.700 1.00 41.52 C ATOM 252 CE2 PHE A 17 4.363 13.420 -11.433 1.00 21.33 C ATOM 253 CZ PHE A 17 4.998 13.574 -12.650 1.00 51.24 C ATOM 0 H PHE A 17 7.595 12.489 -8.642 1.00 11.34 H new ATOM 0 HA PHE A 17 8.899 14.643 -9.893 1.00 11.11 H new ATOM 0 HB2 PHE A 17 6.393 14.423 -8.188 1.00 21.14 H new ATOM 0 HB3 PHE A 17 6.877 15.916 -8.967 1.00 21.14 H new ATOM 0 HD1 PHE A 17 7.869 14.974 -11.581 1.00 51.25 H new ATOM 0 HD2 PHE A 17 4.487 13.703 -9.322 1.00 12.40 H new ATOM 0 HE1 PHE A 17 6.760 14.256 -13.650 1.00 41.52 H new ATOM 0 HE2 PHE A 17 3.377 12.982 -11.390 1.00 21.33 H new ATOM 0 HZ PHE A 17 4.509 13.258 -13.560 1.00 51.24 H new ATOM 263 N GLY A 18 8.943 14.653 -6.605 1.00 35.21 N ATOM 264 CA GLY A 18 9.563 15.292 -5.458 1.00 1.10 C ATOM 265 C GLY A 18 8.546 15.912 -4.521 1.00 65.23 C ATOM 266 O GLY A 18 8.107 17.044 -4.729 1.00 40.20 O ATOM 0 H GLY A 18 8.401 13.816 -6.389 1.00 35.21 H new ATOM 0 HA2 GLY A 18 10.155 14.557 -4.912 1.00 1.10 H new ATOM 0 HA3 GLY A 18 10.252 16.063 -5.804 1.00 1.10 H new ATOM 270 N LEU A 19 8.166 15.170 -3.486 1.00 21.04 N ATOM 271 CA LEU A 19 7.192 15.652 -2.515 1.00 72.34 C ATOM 272 C LEU A 19 7.562 15.206 -1.104 1.00 35.31 C ATOM 273 O LEU A 19 8.037 16.002 -0.295 1.00 61.42 O ATOM 274 CB LEU A 19 5.793 15.147 -2.870 1.00 0.22 C ATOM 275 CG LEU A 19 5.210 15.657 -4.188 1.00 10.44 C ATOM 276 CD1 LEU A 19 4.941 14.498 -5.137 1.00 12.30 C ATOM 277 CD2 LEU A 19 3.935 16.449 -3.938 1.00 31.30 C ATOM 0 H LEU A 19 8.519 14.231 -3.298 1.00 21.04 H new ATOM 0 HA LEU A 19 7.197 16.742 -2.545 1.00 72.34 H new ATOM 0 HB2 LEU A 19 5.820 14.058 -2.905 1.00 0.22 H new ATOM 0 HB3 LEU A 19 5.113 15.424 -2.064 1.00 0.22 H new ATOM 0 HG LEU A 19 5.940 16.320 -4.653 1.00 10.44 H new ATOM 0 HD11 LEU A 19 4.526 14.880 -6.070 1.00 12.30 H new ATOM 0 HD12 LEU A 19 5.873 13.972 -5.343 1.00 12.30 H new ATOM 0 HD13 LEU A 19 4.230 13.810 -4.679 1.00 12.30 H new ATOM 0 HD21 LEU A 19 3.535 16.804 -4.888 1.00 31.30 H new ATOM 0 HD22 LEU A 19 3.199 15.810 -3.450 1.00 31.30 H new ATOM 0 HD23 LEU A 19 4.156 17.302 -3.296 1.00 31.30 H new ATOM 289 N ASN A 20 7.345 13.926 -0.817 1.00 14.31 N ATOM 290 CA ASN A 20 7.658 13.373 0.495 1.00 30.03 C ATOM 291 C ASN A 20 7.330 11.883 0.550 1.00 51.24 C ATOM 292 O ASN A 20 8.226 11.040 0.519 1.00 44.20 O ATOM 293 CB ASN A 20 6.884 14.117 1.584 1.00 64.13 C ATOM 294 CG ASN A 20 7.777 15.009 2.423 1.00 13.04 C ATOM 295 OD1 ASN A 20 8.901 14.637 2.764 1.00 1.33 O ATOM 296 ND2 ASN A 20 7.282 16.194 2.761 1.00 14.21 N ATOM 0 H ASN A 20 6.954 13.253 -1.476 1.00 14.31 H new ATOM 0 HA ASN A 20 8.727 13.499 0.668 1.00 30.03 H new ATOM 0 HB2 ASN A 20 6.103 14.721 1.122 1.00 64.13 H new ATOM 0 HB3 ASN A 20 6.387 13.394 2.231 1.00 64.13 H new ATOM 0 HD21 ASN A 20 7.838 16.837 3.325 1.00 14.21 H new ATOM 0 HD22 ASN A 20 6.346 16.461 2.457 1.00 14.21 H new ATOM 303 N GLU A 21 6.041 11.570 0.632 1.00 41.03 N ATOM 304 CA GLU A 21 5.595 10.183 0.691 1.00 13.04 C ATOM 305 C GLU A 21 4.073 10.103 0.767 1.00 54.12 C ATOM 306 O GLU A 21 3.446 9.329 0.044 1.00 73.50 O ATOM 307 CB GLU A 21 6.215 9.476 1.899 1.00 1.30 C ATOM 308 CG GLU A 21 6.895 8.162 1.553 1.00 45.25 C ATOM 309 CD GLU A 21 6.041 6.956 1.891 1.00 61.41 C ATOM 310 OE1 GLU A 21 6.147 6.456 3.030 1.00 22.54 O ATOM 311 OE2 GLU A 21 5.266 6.513 1.017 1.00 73.51 O1- ATOM 0 H GLU A 21 5.288 12.257 0.659 1.00 41.03 H new ATOM 0 HA GLU A 21 5.922 9.684 -0.221 1.00 13.04 H new ATOM 0 HB2 GLU A 21 6.943 10.141 2.364 1.00 1.30 H new ATOM 0 HB3 GLU A 21 5.437 9.289 2.639 1.00 1.30 H new ATOM 0 HG2 GLU A 21 7.131 8.149 0.489 1.00 45.25 H new ATOM 0 HG3 GLU A 21 7.841 8.094 2.090 1.00 45.25 H new ATOM 318 N GLU A 22 3.488 10.909 1.647 1.00 23.20 N ATOM 319 CA GLU A 22 2.039 10.928 1.818 1.00 0.15 C ATOM 320 C GLU A 22 1.343 11.318 0.517 1.00 40.41 C ATOM 321 O GLU A 22 0.282 10.790 0.185 1.00 13.12 O ATOM 322 CB GLU A 22 1.648 11.902 2.931 1.00 64.51 C ATOM 323 CG GLU A 22 1.385 11.226 4.266 1.00 23.43 C ATOM 324 CD GLU A 22 -0.081 10.907 4.480 1.00 62.25 C ATOM 325 OE1 GLU A 22 -0.840 11.829 4.850 1.00 60.40 O ATOM 326 OE2 GLU A 22 -0.472 9.739 4.279 1.00 30.11 O1- ATOM 0 H GLU A 22 3.993 11.556 2.252 1.00 23.20 H new ATOM 0 HA GLU A 22 1.718 9.924 2.095 1.00 0.15 H new ATOM 0 HB2 GLU A 22 2.444 12.637 3.056 1.00 64.51 H new ATOM 0 HB3 GLU A 22 0.755 12.448 2.627 1.00 64.51 H new ATOM 0 HG2 GLU A 22 1.965 10.305 4.323 1.00 23.43 H new ATOM 0 HG3 GLU A 22 1.733 11.873 5.071 1.00 23.43 H new ATOM 333 N ASP A 23 1.948 12.249 -0.214 1.00 24.04 N ATOM 334 CA ASP A 23 1.387 12.711 -1.479 1.00 33.22 C ATOM 335 C ASP A 23 1.252 11.557 -2.467 1.00 23.33 C ATOM 336 O ASP A 23 0.249 11.443 -3.173 1.00 63.52 O ATOM 337 CB ASP A 23 2.264 13.812 -2.077 1.00 4.33 C ATOM 338 CG ASP A 23 2.663 14.855 -1.053 1.00 31.00 C ATOM 339 OD1 ASP A 23 3.529 14.554 -0.205 1.00 22.10 O ATOM 340 OD2 ASP A 23 2.110 15.974 -1.100 1.00 24.22 O1- ATOM 0 H ASP A 23 2.826 12.698 0.047 1.00 24.04 H new ATOM 0 HA ASP A 23 0.394 13.115 -1.283 1.00 33.22 H new ATOM 0 HB2 ASP A 23 3.162 13.365 -2.505 1.00 4.33 H new ATOM 0 HB3 ASP A 23 1.728 14.296 -2.894 1.00 4.33 H new ATOM 345 N THR A 24 2.269 10.702 -2.515 1.00 73.43 N ATOM 346 CA THR A 24 2.266 9.558 -3.418 1.00 1.23 C ATOM 347 C THR A 24 1.232 8.523 -2.989 1.00 14.25 C ATOM 348 O THR A 24 0.446 8.042 -3.804 1.00 51.53 O ATOM 349 CB THR A 24 3.651 8.889 -3.483 1.00 72.54 C ATOM 350 OG1 THR A 24 4.632 9.834 -3.924 1.00 14.00 O ATOM 351 CG2 THR A 24 3.631 7.694 -4.423 1.00 11.14 C ATOM 0 H THR A 24 3.106 10.781 -1.938 1.00 73.43 H new ATOM 0 HA THR A 24 2.009 9.936 -4.407 1.00 1.23 H new ATOM 0 HB THR A 24 3.908 8.540 -2.483 1.00 72.54 H new ATOM 0 HG1 THR A 24 4.484 10.041 -4.870 1.00 14.00 H new ATOM 0 HG21 THR A 24 4.620 7.238 -4.453 1.00 11.14 H new ATOM 0 HG22 THR A 24 2.905 6.963 -4.067 1.00 11.14 H new ATOM 0 HG23 THR A 24 3.353 8.023 -5.424 1.00 11.14 H new ATOM 359 N ASN A 25 1.240 8.183 -1.705 1.00 33.31 N ATOM 360 CA ASN A 25 0.304 7.202 -1.167 1.00 44.44 C ATOM 361 C ASN A 25 -1.138 7.656 -1.378 1.00 64.11 C ATOM 362 O ASN A 25 -2.017 6.848 -1.682 1.00 30.12 O ATOM 363 CB ASN A 25 0.566 6.978 0.324 1.00 52.52 C ATOM 364 CG ASN A 25 -0.124 5.736 0.851 1.00 73.42 C ATOM 365 OD1 ASN A 25 -1.246 5.801 1.354 1.00 75.14 O ATOM 366 ND2 ASN A 25 0.546 4.595 0.740 1.00 64.50 N ATOM 0 H ASN A 25 1.884 8.572 -1.017 1.00 33.31 H new ATOM 0 HA ASN A 25 0.454 6.263 -1.700 1.00 44.44 H new ATOM 0 HB2 ASN A 25 1.640 6.893 0.493 1.00 52.52 H new ATOM 0 HB3 ASN A 25 0.223 7.847 0.885 1.00 52.52 H new ATOM 0 HD21 ASN A 25 0.133 3.726 1.079 1.00 64.50 H new ATOM 0 HD22 ASN A 25 1.474 4.588 0.316 1.00 64.50 H new ATOM 373 N LEU A 26 -1.374 8.954 -1.216 1.00 13.25 N ATOM 374 CA LEU A 26 -2.708 9.516 -1.390 1.00 63.24 C ATOM 375 C LEU A 26 -3.171 9.384 -2.838 1.00 43.34 C ATOM 376 O LEU A 26 -4.343 9.115 -3.105 1.00 34.53 O ATOM 377 CB LEU A 26 -2.722 10.987 -0.969 1.00 4.43 C ATOM 378 CG LEU A 26 -4.055 11.522 -0.445 1.00 32.12 C ATOM 379 CD1 LEU A 26 -3.842 12.339 0.820 1.00 15.31 C ATOM 380 CD2 LEU A 26 -4.751 12.357 -1.510 1.00 10.20 C ATOM 0 H LEU A 26 -0.659 9.636 -0.964 1.00 13.25 H new ATOM 0 HA LEU A 26 -3.396 8.957 -0.756 1.00 63.24 H new ATOM 0 HB2 LEU A 26 -1.967 11.130 -0.196 1.00 4.43 H new ATOM 0 HB3 LEU A 26 -2.421 11.592 -1.824 1.00 4.43 H new ATOM 0 HG LEU A 26 -4.694 10.673 -0.202 1.00 32.12 H new ATOM 0 HD11 LEU A 26 -4.802 12.712 1.178 1.00 15.31 H new ATOM 0 HD12 LEU A 26 -3.387 11.711 1.586 1.00 15.31 H new ATOM 0 HD13 LEU A 26 -3.184 13.181 0.603 1.00 15.31 H new ATOM 0 HD21 LEU A 26 -5.698 12.729 -1.119 1.00 10.20 H new ATOM 0 HD22 LEU A 26 -4.116 13.199 -1.785 1.00 10.20 H new ATOM 0 HD23 LEU A 26 -4.939 11.742 -2.390 1.00 10.20 H new ATOM 392 N LEU A 27 -2.243 9.575 -3.769 1.00 30.44 N ATOM 393 CA LEU A 27 -2.554 9.475 -5.190 1.00 2.13 C ATOM 394 C LEU A 27 -2.962 8.052 -5.561 1.00 54.22 C ATOM 395 O LEU A 27 -3.958 7.842 -6.253 1.00 41.32 O ATOM 396 CB LEU A 27 -1.349 9.906 -6.029 1.00 72.21 C ATOM 397 CG LEU A 27 -1.426 9.598 -7.524 1.00 31.52 C ATOM 398 CD1 LEU A 27 -1.093 10.837 -8.342 1.00 63.40 C ATOM 399 CD2 LEU A 27 -0.490 8.453 -7.881 1.00 10.00 C ATOM 0 H LEU A 27 -1.269 9.800 -3.565 1.00 30.44 H new ATOM 0 HA LEU A 27 -3.392 10.140 -5.399 1.00 2.13 H new ATOM 0 HB2 LEU A 27 -1.212 10.980 -5.907 1.00 72.21 H new ATOM 0 HB3 LEU A 27 -0.459 9.423 -5.625 1.00 72.21 H new ATOM 0 HG LEU A 27 -2.446 9.295 -7.761 1.00 31.52 H new ATOM 0 HD11 LEU A 27 -1.153 10.599 -9.404 1.00 63.40 H new ATOM 0 HD12 LEU A 27 -1.803 11.630 -8.107 1.00 63.40 H new ATOM 0 HD13 LEU A 27 -0.084 11.171 -8.102 1.00 63.40 H new ATOM 0 HD21 LEU A 27 -0.558 8.247 -8.949 1.00 10.00 H new ATOM 0 HD22 LEU A 27 0.534 8.728 -7.629 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -0.775 7.562 -7.321 1.00 10.00 H new ATOM 411 N ILE A 28 -2.187 7.080 -5.093 1.00 70.02 N ATOM 412 CA ILE A 28 -2.470 5.677 -5.372 1.00 75.01 C ATOM 413 C ILE A 28 -3.863 5.291 -4.888 1.00 4.02 C ATOM 414 O ILE A 28 -4.546 4.482 -5.514 1.00 62.31 O ATOM 415 CB ILE A 28 -1.433 4.752 -4.709 1.00 12.15 C ATOM 416 CG1 ILE A 28 -0.030 5.062 -5.236 1.00 20.52 C ATOM 417 CG2 ILE A 28 -1.789 3.294 -4.960 1.00 33.53 C ATOM 418 CD1 ILE A 28 1.051 4.202 -4.617 1.00 52.14 C ATOM 0 H ILE A 28 -1.359 7.238 -4.519 1.00 70.02 H new ATOM 0 HA ILE A 28 -2.417 5.552 -6.454 1.00 75.01 H new ATOM 0 HB ILE A 28 -1.444 4.929 -3.634 1.00 12.15 H new ATOM 0 HG12 ILE A 28 -0.018 4.924 -6.317 1.00 20.52 H new ATOM 0 HG13 ILE A 28 0.198 6.111 -5.046 1.00 20.52 H new ATOM 0 HG21 ILE A 28 -1.047 2.651 -4.486 1.00 33.53 H new ATOM 0 HG22 ILE A 28 -2.773 3.083 -4.542 1.00 33.53 H new ATOM 0 HG23 ILE A 28 -1.802 3.102 -6.033 1.00 33.53 H new ATOM 0 HD11 ILE A 28 2.019 4.476 -5.037 1.00 52.14 H new ATOM 0 HD12 ILE A 28 1.066 4.357 -3.538 1.00 52.14 H new ATOM 0 HD13 ILE A 28 0.847 3.153 -4.830 1.00 52.14 H new ATOM 430 N ASN A 29 -4.279 5.877 -3.770 1.00 45.34 N ATOM 431 CA ASN A 29 -5.593 5.595 -3.202 1.00 35.11 C ATOM 432 C ASN A 29 -6.702 6.069 -4.136 1.00 72.32 C ATOM 433 O ASN A 29 -7.741 5.421 -4.260 1.00 13.42 O ATOM 434 CB ASN A 29 -5.737 6.270 -1.837 1.00 74.31 C ATOM 435 CG ASN A 29 -6.815 5.628 -0.985 1.00 13.40 C ATOM 436 OD1 ASN A 29 -7.020 4.415 -1.034 1.00 42.23 O ATOM 437 ND2 ASN A 29 -7.510 6.442 -0.199 1.00 54.04 N ATOM 0 H ASN A 29 -3.726 6.550 -3.239 1.00 45.34 H new ATOM 0 HA ASN A 29 -5.684 4.516 -3.077 1.00 35.11 H new ATOM 0 HB2 ASN A 29 -4.784 6.223 -1.309 1.00 74.31 H new ATOM 0 HB3 ASN A 29 -5.971 7.325 -1.979 1.00 74.31 H new ATOM 0 HD21 ASN A 29 -8.249 6.068 0.397 1.00 54.04 H new ATOM 0 HD22 ASN A 29 -7.305 7.441 -0.191 1.00 54.04 H new ATOM 444 N ALA A 30 -6.474 7.203 -4.790 1.00 32.15 N ATOM 445 CA ALA A 30 -7.452 7.762 -5.714 1.00 33.13 C ATOM 446 C ALA A 30 -7.499 6.964 -7.012 1.00 2.35 C ATOM 447 O ALA A 30 -8.575 6.640 -7.515 1.00 22.22 O ATOM 448 CB ALA A 30 -7.133 9.222 -6.001 1.00 60.12 C ATOM 0 H ALA A 30 -5.620 7.753 -4.697 1.00 32.15 H new ATOM 0 HA ALA A 30 -8.434 7.702 -5.245 1.00 33.13 H new ATOM 0 HB1 ALA A 30 -7.872 9.627 -6.693 1.00 60.12 H new ATOM 0 HB2 ALA A 30 -7.158 9.790 -5.071 1.00 60.12 H new ATOM 0 HB3 ALA A 30 -6.141 9.297 -6.445 1.00 60.12 H new ATOM 454 N VAL A 31 -6.325 6.651 -7.553 1.00 64.23 N ATOM 455 CA VAL A 31 -6.232 5.891 -8.793 1.00 65.23 C ATOM 456 C VAL A 31 -6.707 4.455 -8.595 1.00 72.42 C ATOM 457 O VAL A 31 -7.560 3.965 -9.333 1.00 65.53 O ATOM 458 CB VAL A 31 -4.791 5.874 -9.335 1.00 32.21 C ATOM 459 CG1 VAL A 31 -4.765 5.365 -10.769 1.00 41.44 C ATOM 460 CG2 VAL A 31 -4.170 7.259 -9.240 1.00 44.22 C ATOM 0 H VAL A 31 -5.425 6.913 -7.151 1.00 64.23 H new ATOM 0 HA VAL A 31 -6.878 6.387 -9.517 1.00 65.23 H new ATOM 0 HB VAL A 31 -4.199 5.193 -8.723 1.00 32.21 H new ATOM 0 HG11 VAL A 31 -3.738 5.360 -11.135 1.00 41.44 H new ATOM 0 HG12 VAL A 31 -5.167 4.352 -10.803 1.00 41.44 H new ATOM 0 HG13 VAL A 31 -5.371 6.017 -11.398 1.00 41.44 H new ATOM 0 HG21 VAL A 31 -3.152 7.228 -9.627 1.00 44.22 H new ATOM 0 HG22 VAL A 31 -4.760 7.963 -9.826 1.00 44.22 H new ATOM 0 HG23 VAL A 31 -4.152 7.579 -8.198 1.00 44.22 H new ATOM 470 N ASP A 32 -6.147 3.787 -7.593 1.00 34.13 N ATOM 471 CA ASP A 32 -6.513 2.407 -7.296 1.00 74.53 C ATOM 472 C ASP A 32 -8.012 2.285 -7.038 1.00 52.12 C ATOM 473 O ASP A 32 -8.647 1.313 -7.449 1.00 14.34 O ATOM 474 CB ASP A 32 -5.732 1.900 -6.081 1.00 72.22 C ATOM 475 CG ASP A 32 -6.117 0.485 -5.695 1.00 72.14 C ATOM 476 OD1 ASP A 32 -7.236 0.296 -5.175 1.00 61.14 O ATOM 477 OD2 ASP A 32 -5.298 -0.432 -5.913 1.00 25.21 O1- ATOM 0 H ASP A 32 -5.438 4.178 -6.973 1.00 34.13 H new ATOM 0 HA ASP A 32 -6.261 1.796 -8.163 1.00 74.53 H new ATOM 0 HB2 ASP A 32 -4.664 1.937 -6.298 1.00 72.22 H new ATOM 0 HB3 ASP A 32 -5.909 2.565 -5.236 1.00 72.22 H new ATOM 482 N LEU A 33 -8.572 3.278 -6.356 1.00 75.34 N ATOM 483 CA LEU A 33 -9.997 3.283 -6.043 1.00 73.41 C ATOM 484 C LEU A 33 -10.829 3.533 -7.296 1.00 53.14 C ATOM 485 O LEU A 33 -11.951 3.042 -7.416 1.00 63.02 O ATOM 486 CB LEU A 33 -10.304 4.350 -4.990 1.00 11.23 C ATOM 487 CG LEU A 33 -11.769 4.478 -4.573 1.00 44.55 C ATOM 488 CD1 LEU A 33 -12.239 3.213 -3.873 1.00 11.42 C ATOM 489 CD2 LEU A 33 -11.964 5.691 -3.675 1.00 35.32 C ATOM 0 H LEU A 33 -8.061 4.090 -6.009 1.00 75.34 H new ATOM 0 HA LEU A 33 -10.260 2.303 -5.645 1.00 73.41 H new ATOM 0 HB2 LEU A 33 -9.711 4.136 -4.101 1.00 11.23 H new ATOM 0 HB3 LEU A 33 -9.970 5.315 -5.371 1.00 11.23 H new ATOM 0 HG LEU A 33 -12.371 4.615 -5.471 1.00 44.55 H new ATOM 0 HD11 LEU A 33 -13.284 3.324 -3.584 1.00 11.42 H new ATOM 0 HD12 LEU A 33 -12.138 2.364 -4.549 1.00 11.42 H new ATOM 0 HD13 LEU A 33 -11.633 3.043 -2.983 1.00 11.42 H new ATOM 0 HD21 LEU A 33 -13.013 5.766 -3.388 1.00 35.32 H new ATOM 0 HD22 LEU A 33 -11.350 5.584 -2.781 1.00 35.32 H new ATOM 0 HD23 LEU A 33 -11.669 6.592 -4.212 1.00 35.32 H new ATOM 501 N ASP A 34 -10.270 4.299 -8.227 1.00 4.35 N ATOM 502 CA ASP A 34 -10.959 4.612 -9.474 1.00 62.51 C ATOM 503 C ASP A 34 -11.092 3.368 -10.349 1.00 54.23 C ATOM 504 O ASP A 34 -12.167 3.078 -10.871 1.00 64.10 O ATOM 505 CB ASP A 34 -10.210 5.708 -10.233 1.00 22.22 C ATOM 506 CG ASP A 34 -11.149 6.703 -10.887 1.00 10.32 C ATOM 507 OD1 ASP A 34 -12.219 6.280 -11.372 1.00 30.35 O ATOM 508 OD2 ASP A 34 -10.813 7.904 -10.914 1.00 55.54 O1- ATOM 0 H ASP A 34 -9.342 4.714 -8.142 1.00 4.35 H new ATOM 0 HA ASP A 34 -11.959 4.969 -9.229 1.00 62.51 H new ATOM 0 HB2 ASP A 34 -9.548 6.235 -9.546 1.00 22.22 H new ATOM 0 HB3 ASP A 34 -9.579 5.252 -10.996 1.00 22.22 H new ATOM 513 N ILE A 35 -9.991 2.641 -10.504 1.00 62.24 N ATOM 514 CA ILE A 35 -9.985 1.429 -11.315 1.00 52.45 C ATOM 515 C ILE A 35 -10.839 0.338 -10.680 1.00 73.23 C ATOM 516 O ILE A 35 -11.572 -0.373 -11.368 1.00 54.12 O ATOM 517 CB ILE A 35 -8.555 0.894 -11.517 1.00 52.42 C ATOM 518 CG1 ILE A 35 -7.721 1.896 -12.317 1.00 53.10 C ATOM 519 CG2 ILE A 35 -8.589 -0.455 -12.219 1.00 74.24 C ATOM 520 CD1 ILE A 35 -6.533 2.440 -11.554 1.00 72.12 C ATOM 0 H ILE A 35 -9.092 2.869 -10.079 1.00 62.24 H new ATOM 0 HA ILE A 35 -10.405 1.696 -12.285 1.00 52.45 H new ATOM 0 HB ILE A 35 -8.091 0.762 -10.540 1.00 52.42 H new ATOM 0 HG12 ILE A 35 -7.367 1.415 -13.229 1.00 53.10 H new ATOM 0 HG13 ILE A 35 -8.359 2.726 -12.621 1.00 53.10 H new ATOM 0 HG21 ILE A 35 -7.571 -0.820 -12.355 1.00 74.24 H new ATOM 0 HG22 ILE A 35 -9.152 -1.166 -11.614 1.00 74.24 H new ATOM 0 HG23 ILE A 35 -9.068 -0.347 -13.192 1.00 74.24 H new ATOM 0 HD11 ILE A 35 -5.988 3.144 -12.183 1.00 72.12 H new ATOM 0 HD12 ILE A 35 -6.880 2.950 -10.655 1.00 72.12 H new ATOM 0 HD13 ILE A 35 -5.874 1.619 -11.273 1.00 72.12 H new ATOM 532 N LYS A 36 -10.741 0.211 -9.360 1.00 3.32 N ATOM 533 CA LYS A 36 -11.507 -0.792 -8.629 1.00 22.31 C ATOM 534 C LYS A 36 -13.001 -0.633 -8.891 1.00 2.24 C ATOM 535 O LYS A 36 -13.726 -1.618 -9.022 1.00 25.05 O ATOM 536 CB LYS A 36 -11.227 -0.682 -7.129 1.00 22.44 C ATOM 537 CG LYS A 36 -11.844 -1.805 -6.312 1.00 70.22 C ATOM 538 CD LYS A 36 -12.653 -1.266 -5.145 1.00 44.33 C ATOM 539 CE LYS A 36 -13.424 -2.373 -4.442 1.00 14.32 C ATOM 540 NZ LYS A 36 -14.445 -2.990 -5.333 1.00 22.21 N1+ ATOM 0 H LYS A 36 -10.139 0.790 -8.775 1.00 3.32 H new ATOM 0 HA LYS A 36 -11.198 -1.777 -8.979 1.00 22.31 H new ATOM 0 HB2 LYS A 36 -10.149 -0.677 -6.968 1.00 22.44 H new ATOM 0 HB3 LYS A 36 -11.608 0.272 -6.766 1.00 22.44 H new ATOM 0 HG2 LYS A 36 -12.486 -2.411 -6.951 1.00 70.22 H new ATOM 0 HG3 LYS A 36 -11.056 -2.459 -5.938 1.00 70.22 H new ATOM 0 HD2 LYS A 36 -11.987 -0.777 -4.434 1.00 44.33 H new ATOM 0 HD3 LYS A 36 -13.349 -0.507 -5.503 1.00 44.33 H new ATOM 0 HE2 LYS A 36 -12.728 -3.140 -4.101 1.00 14.32 H new ATOM 0 HE3 LYS A 36 -13.912 -1.969 -3.555 1.00 14.32 H new ATOM 0 HZ1 LYS A 36 -15.150 -3.493 -4.757 1.00 22.21 H new ATOM 0 HZ2 LYS A 36 -14.917 -2.247 -5.887 1.00 22.21 H new ATOM 0 HZ3 LYS A 36 -13.982 -3.662 -5.978 1.00 22.21 H new ATOM 554 N ASN A 37 -13.455 0.614 -8.968 1.00 0.32 N ATOM 555 CA ASN A 37 -14.864 0.900 -9.216 1.00 74.03 C ATOM 556 C ASN A 37 -15.288 0.396 -10.591 1.00 11.12 C ATOM 557 O ASN A 37 -16.438 0.009 -10.795 1.00 61.25 O ATOM 558 CB ASN A 37 -15.125 2.404 -9.108 1.00 4.40 C ATOM 559 CG ASN A 37 -15.952 2.762 -7.889 1.00 71.24 C ATOM 560 OD1 ASN A 37 -15.570 2.464 -6.757 1.00 54.35 O ATOM 561 ND2 ASN A 37 -17.093 3.403 -8.114 1.00 60.11 N ATOM 0 H ASN A 37 -12.869 1.442 -8.862 1.00 0.32 H new ATOM 0 HA ASN A 37 -15.454 0.380 -8.462 1.00 74.03 H new ATOM 0 HB2 ASN A 37 -14.173 2.933 -9.066 1.00 4.40 H new ATOM 0 HB3 ASN A 37 -15.640 2.746 -10.006 1.00 4.40 H new ATOM 0 HD21 ASN A 37 -17.692 3.668 -7.332 1.00 60.11 H new ATOM 0 HD22 ASN A 37 -17.371 3.630 -9.069 1.00 60.11 H new ATOM 568 N ASN A 38 -14.350 0.402 -11.533 1.00 63.10 N ATOM 569 CA ASN A 38 -14.626 -0.055 -12.890 1.00 44.42 C ATOM 570 C ASN A 38 -14.460 -1.567 -12.999 1.00 33.32 C ATOM 571 O ASN A 38 -14.884 -2.179 -13.979 1.00 33.32 O ATOM 572 CB ASN A 38 -13.697 0.644 -13.885 1.00 24.12 C ATOM 573 CG ASN A 38 -14.368 0.898 -15.221 1.00 4.34 C ATOM 574 OD1 ASN A 38 -14.608 -0.030 -15.994 1.00 3.42 O ATOM 575 ND2 ASN A 38 -14.673 2.159 -15.501 1.00 74.14 N ATOM 0 H ASN A 38 -13.392 0.718 -11.381 1.00 63.10 H new ATOM 0 HA ASN A 38 -15.659 0.198 -13.128 1.00 44.42 H new ATOM 0 HB2 ASN A 38 -13.364 1.592 -13.463 1.00 24.12 H new ATOM 0 HB3 ASN A 38 -12.807 0.033 -14.038 1.00 24.12 H new ATOM 0 HD21 ASN A 38 -15.124 2.390 -16.386 1.00 74.14 H new ATOM 0 HD22 ASN A 38 -14.456 2.897 -14.831 1.00 74.14 H new ATOM 582 N MET A 39 -13.842 -2.164 -11.985 1.00 1.23 N ATOM 583 CA MET A 39 -13.622 -3.605 -11.966 1.00 32.44 C ATOM 584 C MET A 39 -14.938 -4.359 -12.127 1.00 10.21 C ATOM 585 O MET A 39 -14.958 -5.498 -12.592 1.00 70.21 O ATOM 586 CB MET A 39 -12.939 -4.021 -10.661 1.00 23.14 C ATOM 587 CG MET A 39 -12.248 -5.373 -10.741 1.00 3.01 C ATOM 588 SD MET A 39 -13.238 -6.702 -10.029 1.00 44.14 S ATOM 589 CE MET A 39 -13.371 -7.812 -11.428 1.00 10.32 C ATOM 0 H MET A 39 -13.485 -1.672 -11.166 1.00 1.23 H new ATOM 0 HA MET A 39 -12.974 -3.859 -12.805 1.00 32.44 H new ATOM 0 HB2 MET A 39 -12.205 -3.263 -10.387 1.00 23.14 H new ATOM 0 HB3 MET A 39 -13.682 -4.049 -9.864 1.00 23.14 H new ATOM 0 HG2 MET A 39 -12.032 -5.605 -11.784 1.00 3.01 H new ATOM 0 HG3 MET A 39 -11.291 -5.319 -10.221 1.00 3.01 H new ATOM 0 HE1 MET A 39 -14.384 -8.212 -11.480 1.00 10.32 H new ATOM 0 HE2 MET A 39 -13.148 -7.268 -12.346 1.00 10.32 H new ATOM 0 HE3 MET A 39 -12.662 -8.632 -11.311 1.00 10.32 H new ATOM 1232 N LEU B 179 -10.681 7.758 -15.151 1.00 24.31 N ATOM 1233 CA LEU B 179 -9.747 8.330 -14.187 1.00 63.32 C ATOM 1234 C LEU B 179 -9.577 9.828 -14.417 1.00 73.13 C ATOM 1235 O LEU B 179 -8.485 10.371 -14.253 1.00 24.21 O ATOM 1236 CB LEU B 179 -8.391 7.630 -14.284 1.00 13.04 C ATOM 1237 CG LEU B 179 -8.430 6.126 -14.558 1.00 73.31 C ATOM 1238 CD1 LEU B 179 -7.032 5.532 -14.473 1.00 1.43 C ATOM 1239 CD2 LEU B 179 -9.367 5.430 -13.582 1.00 71.43 C ATOM 0 HA LEU B 179 -10.156 8.179 -13.188 1.00 63.32 H new ATOM 0 HB2 LEU B 179 -7.813 8.108 -15.075 1.00 13.04 H new ATOM 0 HB3 LEU B 179 -7.852 7.795 -13.351 1.00 13.04 H new ATOM 0 HG LEU B 179 -8.809 5.970 -15.568 1.00 73.31 H new ATOM 0 HD11 LEU B 179 -7.079 4.461 -14.671 1.00 1.43 H new ATOM 0 HD12 LEU B 179 -6.388 6.009 -15.212 1.00 1.43 H new ATOM 0 HD13 LEU B 179 -6.626 5.699 -13.476 1.00 1.43 H new ATOM 0 HD21 LEU B 179 -9.382 4.361 -13.792 1.00 71.43 H new ATOM 0 HD22 LEU B 179 -9.018 5.595 -12.563 1.00 71.43 H new ATOM 0 HD23 LEU B 179 -10.373 5.835 -13.691 1.00 71.43 H new ATOM 1251 N ASN B 180 -10.666 10.491 -14.795 1.00 35.24 N ATOM 1252 CA ASN B 180 -10.636 11.928 -15.045 1.00 24.44 C ATOM 1253 C ASN B 180 -10.119 12.682 -13.825 1.00 75.43 C ATOM 1254 O ASN B 180 -9.211 13.505 -13.931 1.00 54.14 O ATOM 1255 CB ASN B 180 -12.034 12.430 -15.413 1.00 3.15 C ATOM 1256 CG ASN B 180 -12.352 12.227 -16.883 1.00 61.34 C ATOM 1257 OD1 ASN B 180 -11.516 12.477 -17.750 1.00 25.14 O ATOM 1258 ND2 ASN B 180 -13.567 11.772 -17.167 1.00 70.30 N ATOM 0 H ASN B 180 -11.578 10.057 -14.935 1.00 35.24 H new ATOM 0 HA ASN B 180 -9.958 12.113 -15.878 1.00 24.44 H new ATOM 0 HB2 ASN B 180 -12.776 11.908 -14.808 1.00 3.15 H new ATOM 0 HB3 ASN B 180 -12.113 13.490 -15.170 1.00 3.15 H new ATOM 0 HD21 ASN B 180 -13.839 11.616 -18.138 1.00 70.30 H new ATOM 0 HD22 ASN B 180 -14.228 11.578 -16.415 1.00 70.30 H new ATOM 1265 N ASN B 181 -10.703 12.395 -12.665 1.00 3.42 N ATOM 1266 CA ASN B 181 -10.300 13.046 -11.425 1.00 31.33 C ATOM 1267 C ASN B 181 -8.853 12.710 -11.077 1.00 24.15 C ATOM 1268 O ASN B 181 -8.125 13.538 -10.530 1.00 33.05 O ATOM 1269 CB ASN B 181 -11.223 12.623 -10.279 1.00 0.25 C ATOM 1270 CG ASN B 181 -12.654 13.073 -10.493 1.00 45.51 C ATOM 1271 OD1 ASN B 181 -12.917 13.999 -11.262 1.00 62.24 O ATOM 1272 ND2 ASN B 181 -13.588 12.419 -9.813 1.00 43.31 N ATOM 0 H ASN B 181 -11.457 11.716 -12.559 1.00 3.42 H new ATOM 0 HA ASN B 181 -10.379 14.124 -11.569 1.00 31.33 H new ATOM 0 HB2 ASN B 181 -11.198 11.538 -10.177 1.00 0.25 H new ATOM 0 HB3 ASN B 181 -10.850 13.040 -9.343 1.00 0.25 H new ATOM 0 HD21 ASN B 181 -14.569 12.677 -9.917 1.00 43.31 H new ATOM 0 HD22 ASN B 181 -13.324 11.658 -9.187 1.00 43.31 H new ATOM 1279 N THR B 182 -8.441 11.486 -11.401 1.00 44.13 N ATOM 1280 CA THR B 182 -7.083 11.039 -11.124 1.00 72.53 C ATOM 1281 C THR B 182 -6.059 11.922 -11.827 1.00 42.25 C ATOM 1282 O THR B 182 -5.080 12.360 -11.222 1.00 1.11 O ATOM 1283 CB THR B 182 -6.872 9.578 -11.564 1.00 71.43 C ATOM 1284 OG1 THR B 182 -7.678 8.705 -10.765 1.00 74.43 O ATOM 1285 CG2 THR B 182 -5.409 9.182 -11.440 1.00 74.31 C ATOM 0 H THR B 182 -9.030 10.788 -11.855 1.00 44.13 H new ATOM 0 HA THR B 182 -6.941 11.110 -10.046 1.00 72.53 H new ATOM 0 HB THR B 182 -7.168 9.489 -12.609 1.00 71.43 H new ATOM 0 HG1 THR B 182 -8.594 8.695 -11.114 1.00 74.43 H new ATOM 0 HG21 THR B 182 -5.284 8.146 -11.756 1.00 74.31 H new ATOM 0 HG22 THR B 182 -4.802 9.830 -12.072 1.00 74.31 H new ATOM 0 HG23 THR B 182 -5.091 9.285 -10.403 1.00 74.31 H new ATOM 1293 N LYS B 183 -6.291 12.183 -13.110 1.00 72.50 N ATOM 1294 CA LYS B 183 -5.389 13.017 -13.897 1.00 22.40 C ATOM 1295 C LYS B 183 -5.198 14.380 -13.241 1.00 20.14 C ATOM 1296 O LYS B 183 -4.107 14.951 -13.280 1.00 21.01 O ATOM 1297 CB LYS B 183 -5.934 13.194 -15.316 1.00 62.20 C ATOM 1298 CG LYS B 183 -5.511 12.092 -16.272 1.00 13.24 C ATOM 1299 CD LYS B 183 -6.470 11.972 -17.444 1.00 3.14 C ATOM 1300 CE LYS B 183 -5.816 12.405 -18.747 1.00 34.43 C ATOM 1301 NZ LYS B 183 -6.819 12.630 -19.823 1.00 43.54 N1+ ATOM 0 H LYS B 183 -7.096 11.829 -13.627 1.00 72.50 H new ATOM 0 HA LYS B 183 -4.421 12.518 -13.945 1.00 22.40 H new ATOM 0 HB2 LYS B 183 -7.023 13.231 -15.276 1.00 62.20 H new ATOM 0 HB3 LYS B 183 -5.597 14.153 -15.709 1.00 62.20 H new ATOM 0 HG2 LYS B 183 -4.506 12.296 -16.642 1.00 13.24 H new ATOM 0 HG3 LYS B 183 -5.467 11.143 -15.738 1.00 13.24 H new ATOM 0 HD2 LYS B 183 -6.811 10.940 -17.532 1.00 3.14 H new ATOM 0 HD3 LYS B 183 -7.352 12.584 -17.258 1.00 3.14 H new ATOM 0 HE2 LYS B 183 -5.249 13.321 -18.582 1.00 34.43 H new ATOM 0 HE3 LYS B 183 -5.105 11.643 -19.067 1.00 34.43 H new ATOM 0 HZ1 LYS B 183 -6.333 12.924 -20.694 1.00 43.54 H new ATOM 0 HZ2 LYS B 183 -7.343 11.749 -19.999 1.00 43.54 H new ATOM 0 HZ3 LYS B 183 -7.483 13.375 -19.529 1.00 43.54 H new ATOM 1315 N LYS B 184 -6.263 14.896 -12.637 1.00 12.13 N ATOM 1316 CA LYS B 184 -6.211 16.192 -11.969 1.00 22.30 C ATOM 1317 C LYS B 184 -5.268 16.149 -10.771 1.00 33.22 C ATOM 1318 O LYS B 184 -4.619 17.143 -10.444 1.00 24.00 O ATOM 1319 CB LYS B 184 -7.611 16.610 -11.515 1.00 63.51 C ATOM 1320 CG LYS B 184 -7.727 18.089 -11.185 1.00 24.35 C ATOM 1321 CD LYS B 184 -9.021 18.395 -10.449 1.00 75.02 C ATOM 1322 CE LYS B 184 -9.454 19.838 -10.661 1.00 21.33 C ATOM 1323 NZ LYS B 184 -10.881 20.048 -10.294 1.00 23.22 N1+ ATOM 0 H LYS B 184 -7.173 14.437 -12.596 1.00 12.13 H new ATOM 0 HA LYS B 184 -5.832 16.925 -12.681 1.00 22.30 H new ATOM 0 HB2 LYS B 184 -8.327 16.364 -12.299 1.00 63.51 H new ATOM 0 HB3 LYS B 184 -7.888 16.027 -10.636 1.00 63.51 H new ATOM 0 HG2 LYS B 184 -6.878 18.394 -10.573 1.00 24.35 H new ATOM 0 HG3 LYS B 184 -7.683 18.673 -12.105 1.00 24.35 H new ATOM 0 HD2 LYS B 184 -9.806 17.723 -10.796 1.00 75.02 H new ATOM 0 HD3 LYS B 184 -8.888 18.206 -9.384 1.00 75.02 H new ATOM 0 HE2 LYS B 184 -8.825 20.498 -10.064 1.00 21.33 H new ATOM 0 HE3 LYS B 184 -9.303 20.113 -11.705 1.00 21.33 H new ATOM 0 HZ1 LYS B 184 -11.137 21.043 -10.453 1.00 23.22 H new ATOM 0 HZ2 LYS B 184 -11.484 19.437 -10.881 1.00 23.22 H new ATOM 0 HZ3 LYS B 184 -11.020 19.810 -9.291 1.00 23.22 H new ATOM 1337 N VAL B 185 -5.196 14.992 -10.121 1.00 52.20 N ATOM 1338 CA VAL B 185 -4.329 14.819 -8.961 1.00 62.14 C ATOM 1339 C VAL B 185 -2.859 14.879 -9.359 1.00 45.24 C ATOM 1340 O VAL B 185 -2.061 15.566 -8.723 1.00 72.03 O ATOM 1341 CB VAL B 185 -4.603 13.481 -8.250 1.00 24.22 C ATOM 1342 CG1 VAL B 185 -3.699 13.326 -7.037 1.00 42.11 C ATOM 1343 CG2 VAL B 185 -6.068 13.380 -7.851 1.00 33.41 C ATOM 0 H VAL B 185 -5.728 14.160 -10.378 1.00 52.20 H new ATOM 0 HA VAL B 185 -4.550 15.638 -8.276 1.00 62.14 H new ATOM 0 HB VAL B 185 -4.382 12.669 -8.943 1.00 24.22 H new ATOM 0 HG11 VAL B 185 -3.907 12.375 -6.547 1.00 42.11 H new ATOM 0 HG12 VAL B 185 -2.657 13.350 -7.355 1.00 42.11 H new ATOM 0 HG13 VAL B 185 -3.885 14.142 -6.338 1.00 42.11 H new ATOM 0 HG21 VAL B 185 -6.244 12.428 -7.350 1.00 33.41 H new ATOM 0 HG22 VAL B 185 -6.318 14.198 -7.175 1.00 33.41 H new ATOM 0 HG23 VAL B 185 -6.693 13.442 -8.742 1.00 33.41 H new ATOM 1353 N ALA B 186 -2.509 14.155 -10.417 1.00 54.34 N ATOM 1354 CA ALA B 186 -1.134 14.129 -10.903 1.00 34.42 C ATOM 1355 C ALA B 186 -0.758 15.452 -11.561 1.00 63.30 C ATOM 1356 O ALA B 186 0.367 15.929 -11.418 1.00 42.02 O ATOM 1357 CB ALA B 186 -0.941 12.978 -11.879 1.00 63.43 C ATOM 0 H ALA B 186 -3.158 13.579 -10.954 1.00 54.34 H new ATOM 0 HA ALA B 186 -0.476 13.980 -10.047 1.00 34.42 H new ATOM 0 HB1 ALA B 186 0.090 12.971 -12.234 1.00 63.43 H new ATOM 0 HB2 ALA B 186 -1.159 12.035 -11.377 1.00 63.43 H new ATOM 0 HB3 ALA B 186 -1.615 13.102 -12.726 1.00 63.43 H new ATOM 1363 N ASN B 187 -1.707 16.039 -12.283 1.00 33.43 N ATOM 1364 CA ASN B 187 -1.474 17.306 -12.964 1.00 41.32 C ATOM 1365 C ASN B 187 -1.181 18.418 -11.961 1.00 50.34 C ATOM 1366 O ASN B 187 -0.520 19.404 -12.286 1.00 4.03 O ATOM 1367 CB ASN B 187 -2.687 17.681 -13.817 1.00 3.11 C ATOM 1368 CG ASN B 187 -2.608 19.101 -14.345 1.00 13.52 C ATOM 1369 OD1 ASN B 187 -3.070 20.041 -13.700 1.00 54.34 O ATOM 1370 ND2 ASN B 187 -2.019 19.261 -15.525 1.00 31.41 N ATOM 0 H ASN B 187 -2.644 15.657 -12.411 1.00 33.43 H new ATOM 0 HA ASN B 187 -0.605 17.187 -13.611 1.00 41.32 H new ATOM 0 HB2 ASN B 187 -2.766 16.989 -14.655 1.00 3.11 H new ATOM 0 HB3 ASN B 187 -3.594 17.567 -13.223 1.00 3.11 H new ATOM 0 HD21 ASN B 187 -1.936 20.193 -15.931 1.00 31.41 H new ATOM 0 HD22 ASN B 187 -1.650 18.452 -16.025 1.00 31.41 H new ATOM 1377 N ALA B 188 -1.677 18.251 -10.740 1.00 14.10 N ATOM 1378 CA ALA B 188 -1.466 19.238 -9.688 1.00 64.23 C ATOM 1379 C ALA B 188 0.017 19.392 -9.369 1.00 43.35 C ATOM 1380 O ALA B 188 0.470 20.470 -8.983 1.00 62.04 O ATOM 1381 CB ALA B 188 -2.240 18.849 -8.437 1.00 35.41 C ATOM 0 H ALA B 188 -2.228 17.441 -10.454 1.00 14.10 H new ATOM 0 HA ALA B 188 -1.835 20.199 -10.046 1.00 64.23 H new ATOM 0 HB1 ALA B 188 -2.073 19.595 -7.660 1.00 35.41 H new ATOM 0 HB2 ALA B 188 -3.304 18.798 -8.669 1.00 35.41 H new ATOM 0 HB3 ALA B 188 -1.898 17.876 -8.085 1.00 35.41 H new ATOM 1387 N PHE B 189 0.768 18.309 -9.533 1.00 75.31 N ATOM 1388 CA PHE B 189 2.201 18.324 -9.260 1.00 54.42 C ATOM 1389 C PHE B 189 2.895 19.420 -10.063 1.00 14.42 C ATOM 1390 O PHE B 189 3.947 19.923 -9.669 1.00 65.42 O ATOM 1391 CB PHE B 189 2.819 16.964 -9.592 1.00 70.31 C ATOM 1392 CG PHE B 189 2.420 15.876 -8.636 1.00 32.10 C ATOM 1393 CD1 PHE B 189 2.426 16.100 -7.269 1.00 61.44 C ATOM 1394 CD2 PHE B 189 2.041 14.628 -9.105 1.00 13.32 C ATOM 1395 CE1 PHE B 189 2.059 15.101 -6.387 1.00 4.21 C ATOM 1396 CE2 PHE B 189 1.673 13.626 -8.228 1.00 0.13 C ATOM 1397 CZ PHE B 189 1.683 13.862 -6.867 1.00 21.01 C ATOM 0 H PHE B 189 0.409 17.410 -9.853 1.00 75.31 H new ATOM 0 HA PHE B 189 2.342 18.530 -8.199 1.00 54.42 H new ATOM 0 HB2 PHE B 189 2.524 16.676 -10.601 1.00 70.31 H new ATOM 0 HB3 PHE B 189 3.905 17.057 -9.591 1.00 70.31 H new ATOM 0 HD1 PHE B 189 2.721 17.067 -6.888 1.00 61.44 H new ATOM 0 HD2 PHE B 189 2.033 14.437 -10.168 1.00 13.32 H new ATOM 0 HE1 PHE B 189 2.066 15.289 -5.324 1.00 4.21 H new ATOM 0 HE2 PHE B 189 1.378 12.659 -8.606 1.00 0.13 H new ATOM 0 HZ PHE B 189 1.397 13.079 -6.180 1.00 21.01 H new ATOM 1407 N GLY B 190 2.300 19.785 -11.195 1.00 21.51 N ATOM 1408 CA GLY B 190 2.875 20.817 -12.037 1.00 60.23 C ATOM 1409 C GLY B 190 3.833 20.258 -13.068 1.00 35.12 C ATOM 1410 O GLY B 190 4.999 19.995 -12.766 1.00 24.31 O ATOM 0 H GLY B 190 1.429 19.384 -11.544 1.00 21.51 H new ATOM 0 HA2 GLY B 190 2.074 21.355 -12.544 1.00 60.23 H new ATOM 0 HA3 GLY B 190 3.400 21.540 -11.413 1.00 60.23 H new ATOM 1414 N LEU B 191 3.345 20.072 -14.289 1.00 43.11 N ATOM 1415 CA LEU B 191 4.167 19.538 -15.370 1.00 64.20 C ATOM 1416 C LEU B 191 3.740 20.115 -16.716 1.00 51.02 C ATOM 1417 O LEU B 191 4.419 20.973 -17.278 1.00 35.23 O ATOM 1418 CB LEU B 191 4.070 18.012 -15.402 1.00 14.35 C ATOM 1419 CG LEU B 191 4.891 17.264 -14.350 1.00 44.44 C ATOM 1420 CD1 LEU B 191 3.975 16.514 -13.395 1.00 41.44 C ATOM 1421 CD2 LEU B 191 5.869 16.308 -15.015 1.00 50.42 C ATOM 0 H LEU B 191 2.383 20.283 -14.556 1.00 43.11 H new ATOM 0 HA LEU B 191 5.201 19.827 -15.185 1.00 64.20 H new ATOM 0 HB2 LEU B 191 3.023 17.732 -15.283 1.00 14.35 H new ATOM 0 HB3 LEU B 191 4.382 17.669 -16.388 1.00 14.35 H new ATOM 0 HG LEU B 191 5.463 17.994 -13.777 1.00 44.44 H new ATOM 0 HD11 LEU B 191 4.575 15.987 -12.653 1.00 41.44 H new ATOM 0 HD12 LEU B 191 3.316 17.222 -12.892 1.00 41.44 H new ATOM 0 HD13 LEU B 191 3.377 15.795 -13.954 1.00 41.44 H new ATOM 0 HD21 LEU B 191 6.444 15.785 -14.250 1.00 50.42 H new ATOM 0 HD22 LEU B 191 5.318 15.583 -15.614 1.00 50.42 H new ATOM 0 HD23 LEU B 191 6.547 16.870 -15.658 1.00 50.42 H new ATOM 1433 N ASN B 192 2.608 19.640 -17.225 1.00 22.30 N ATOM 1434 CA ASN B 192 2.088 20.109 -18.504 1.00 53.55 C ATOM 1435 C ASN B 192 0.773 19.416 -18.846 1.00 53.25 C ATOM 1436 O ASN B 192 -0.298 20.014 -18.746 1.00 24.25 O ATOM 1437 CB ASN B 192 3.111 19.864 -19.615 1.00 31.31 C ATOM 1438 CG ASN B 192 3.737 21.149 -20.121 1.00 34.23 C ATOM 1439 OD1 ASN B 192 3.037 22.069 -20.543 1.00 4.14 O ATOM 1440 ND2 ASN B 192 5.062 21.218 -20.079 1.00 74.44 N ATOM 0 H ASN B 192 2.033 18.930 -16.771 1.00 22.30 H new ATOM 0 HA ASN B 192 1.901 21.180 -18.420 1.00 53.55 H new ATOM 0 HB2 ASN B 192 3.895 19.203 -19.244 1.00 31.31 H new ATOM 0 HB3 ASN B 192 2.626 19.349 -20.444 1.00 31.31 H new ATOM 0 HD21 ASN B 192 5.540 22.058 -20.405 1.00 74.44 H new ATOM 0 HD22 ASN B 192 5.603 20.431 -19.721 1.00 74.44 H new ATOM 1447 N GLU B 193 0.864 18.152 -19.247 1.00 71.54 N ATOM 1448 CA GLU B 193 -0.319 17.378 -19.602 1.00 2.43 C ATOM 1449 C GLU B 193 0.060 15.948 -19.978 1.00 41.14 C ATOM 1450 O GLU B 193 -0.536 14.989 -19.489 1.00 5.30 O ATOM 1451 CB GLU B 193 -1.061 18.043 -20.764 1.00 31.23 C ATOM 1452 CG GLU B 193 -0.154 18.445 -21.914 1.00 55.41 C ATOM 1453 CD GLU B 193 -0.876 19.261 -22.970 1.00 64.13 C ATOM 1454 OE1 GLU B 193 -1.164 20.447 -22.709 1.00 12.44 O1- ATOM 1455 OE2 GLU B 193 -1.153 18.710 -24.056 1.00 52.53 O ATOM 0 H GLU B 193 1.744 17.643 -19.334 1.00 71.54 H new ATOM 0 HA GLU B 193 -0.975 17.345 -18.732 1.00 2.43 H new ATOM 0 HB2 GLU B 193 -1.824 17.359 -21.136 1.00 31.23 H new ATOM 0 HB3 GLU B 193 -1.579 18.928 -20.394 1.00 31.23 H new ATOM 0 HG2 GLU B 193 0.685 19.022 -21.525 1.00 55.41 H new ATOM 0 HG3 GLU B 193 0.262 17.549 -22.374 1.00 55.41 H new ATOM 1462 N GLU B 194 1.054 15.815 -20.851 1.00 23.01 N ATOM 1463 CA GLU B 194 1.511 14.503 -21.293 1.00 20.20 C ATOM 1464 C GLU B 194 2.051 13.691 -20.120 1.00 70.31 C ATOM 1465 O GLU B 194 1.782 12.495 -20.002 1.00 55.42 O ATOM 1466 CB GLU B 194 2.590 14.650 -22.367 1.00 13.14 C ATOM 1467 CG GLU B 194 2.042 14.678 -23.784 1.00 62.41 C ATOM 1468 CD GLU B 194 2.931 13.946 -24.769 1.00 23.22 C ATOM 1469 OE1 GLU B 194 3.938 14.537 -25.212 1.00 1.43 O1- ATOM 1470 OE2 GLU B 194 2.620 12.782 -25.097 1.00 42.20 O ATOM 0 H GLU B 194 1.558 16.599 -21.266 1.00 23.01 H new ATOM 0 HA GLU B 194 0.658 13.973 -21.716 1.00 20.20 H new ATOM 0 HB2 GLU B 194 3.149 15.568 -22.185 1.00 13.14 H new ATOM 0 HB3 GLU B 194 3.296 13.824 -22.276 1.00 13.14 H new ATOM 0 HG2 GLU B 194 1.049 14.229 -23.794 1.00 62.41 H new ATOM 0 HG3 GLU B 194 1.927 15.713 -24.104 1.00 62.41 H new ATOM 1477 N ASP B 195 2.815 14.349 -19.255 1.00 71.34 N ATOM 1478 CA ASP B 195 3.394 13.690 -18.090 1.00 64.33 C ATOM 1479 C ASP B 195 2.302 13.117 -17.191 1.00 11.51 C ATOM 1480 O ASP B 195 2.497 12.096 -16.532 1.00 13.35 O ATOM 1481 CB ASP B 195 4.260 14.672 -17.299 1.00 32.11 C ATOM 1482 CG ASP B 195 5.742 14.393 -17.457 1.00 71.21 C ATOM 1483 OD1 ASP B 195 6.340 14.892 -18.433 1.00 63.24 O ATOM 1484 OD2 ASP B 195 6.304 13.677 -16.603 1.00 42.02 O1- ATOM 0 H ASP B 195 3.048 15.339 -19.339 1.00 71.34 H new ATOM 0 HA ASP B 195 4.019 12.869 -18.441 1.00 64.33 H new ATOM 0 HB2 ASP B 195 4.047 15.688 -17.630 1.00 32.11 H new ATOM 0 HB3 ASP B 195 3.994 14.618 -16.243 1.00 32.11 H new ATOM 1489 N THR B 196 1.152 13.783 -17.169 1.00 63.34 N ATOM 1490 CA THR B 196 0.030 13.342 -16.349 1.00 40.40 C ATOM 1491 C THR B 196 -0.570 12.048 -16.888 1.00 11.13 C ATOM 1492 O THR B 196 -0.809 11.105 -16.135 1.00 3.02 O ATOM 1493 CB THR B 196 -1.073 14.416 -16.282 1.00 41.41 C ATOM 1494 OG1 THR B 196 -0.503 15.683 -15.934 1.00 31.04 O ATOM 1495 CG2 THR B 196 -2.137 14.036 -15.264 1.00 41.51 C ATOM 0 H THR B 196 0.973 14.629 -17.709 1.00 63.34 H new ATOM 0 HA THR B 196 0.420 13.169 -15.346 1.00 40.40 H new ATOM 0 HB THR B 196 -1.541 14.486 -17.264 1.00 41.41 H new ATOM 0 HG1 THR B 196 -1.175 16.387 -16.050 1.00 31.04 H new ATOM 0 HG21 THR B 196 -2.905 14.809 -15.234 1.00 41.51 H new ATOM 0 HG22 THR B 196 -2.589 13.086 -15.548 1.00 41.51 H new ATOM 0 HG23 THR B 196 -1.680 13.940 -14.279 1.00 41.51 H new ATOM 1503 N ASN B 197 -0.808 12.011 -18.194 1.00 4.15 N ATOM 1504 CA ASN B 197 -1.379 10.831 -18.834 1.00 72.52 C ATOM 1505 C ASN B 197 -0.391 9.668 -18.814 1.00 54.32 C ATOM 1506 O ASN B 197 -0.771 8.519 -18.593 1.00 63.50 O ATOM 1507 CB ASN B 197 -1.779 11.150 -20.275 1.00 5.02 C ATOM 1508 CG ASN B 197 -2.274 9.926 -21.023 1.00 22.53 C ATOM 1509 OD1 ASN B 197 -3.268 9.310 -20.637 1.00 34.21 O ATOM 1510 ND2 ASN B 197 -1.581 9.568 -22.097 1.00 71.04 N ATOM 0 H ASN B 197 -0.615 12.784 -18.831 1.00 4.15 H new ATOM 0 HA ASN B 197 -2.267 10.539 -18.273 1.00 72.52 H new ATOM 0 HB2 ASN B 197 -2.559 11.911 -20.272 1.00 5.02 H new ATOM 0 HB3 ASN B 197 -0.923 11.573 -20.802 1.00 5.02 H new ATOM 0 HD21 ASN B 197 -1.866 8.753 -22.639 1.00 71.04 H new ATOM 0 HD22 ASN B 197 -0.764 10.108 -22.380 1.00 71.04 H new ATOM 1517 N LEU B 198 0.881 9.977 -19.044 1.00 63.31 N ATOM 1518 CA LEU B 198 1.925 8.959 -19.052 1.00 35.42 C ATOM 1519 C LEU B 198 2.091 8.338 -17.669 1.00 62.35 C ATOM 1520 O LEU B 198 2.315 7.134 -17.539 1.00 11.13 O ATOM 1521 CB LEU B 198 3.252 9.565 -19.513 1.00 13.22 C ATOM 1522 CG LEU B 198 4.201 8.620 -20.253 1.00 43.25 C ATOM 1523 CD1 LEU B 198 4.188 8.914 -21.746 1.00 34.03 C ATOM 1524 CD2 LEU B 198 5.611 8.735 -19.696 1.00 54.45 C ATOM 0 H LEU B 198 1.213 10.924 -19.227 1.00 63.31 H new ATOM 0 HA LEU B 198 1.628 8.175 -19.749 1.00 35.42 H new ATOM 0 HB2 LEU B 198 3.035 10.412 -20.163 1.00 13.22 H new ATOM 0 HB3 LEU B 198 3.772 9.959 -18.639 1.00 13.22 H new ATOM 0 HG LEU B 198 3.856 7.597 -20.102 1.00 43.25 H new ATOM 0 HD11 LEU B 198 4.868 8.233 -22.257 1.00 34.03 H new ATOM 0 HD12 LEU B 198 3.179 8.778 -22.135 1.00 34.03 H new ATOM 0 HD13 LEU B 198 4.507 9.942 -21.917 1.00 34.03 H new ATOM 0 HD21 LEU B 198 6.272 8.056 -20.235 1.00 54.45 H new ATOM 0 HD22 LEU B 198 5.967 9.758 -19.816 1.00 54.45 H new ATOM 0 HD23 LEU B 198 5.607 8.474 -18.638 1.00 54.45 H new ATOM 1536 N LEU B 199 1.977 9.166 -16.637 1.00 62.32 N ATOM 1537 CA LEU B 199 2.112 8.699 -15.262 1.00 32.30 C ATOM 1538 C LEU B 199 0.926 7.825 -14.865 1.00 45.01 C ATOM 1539 O LEU B 199 1.100 6.734 -14.322 1.00 45.41 O ATOM 1540 CB LEU B 199 2.226 9.888 -14.306 1.00 14.20 C ATOM 1541 CG LEU B 199 2.002 9.583 -12.825 1.00 63.14 C ATOM 1542 CD1 LEU B 199 3.067 8.629 -12.309 1.00 61.21 C ATOM 1543 CD2 LEU B 199 1.994 10.869 -12.010 1.00 14.13 C ATOM 0 H LEU B 199 1.791 10.165 -16.726 1.00 62.32 H new ATOM 0 HA LEU B 199 3.020 8.100 -15.196 1.00 32.30 H new ATOM 0 HB2 LEU B 199 3.217 10.326 -14.420 1.00 14.20 H new ATOM 0 HB3 LEU B 199 1.505 10.646 -14.613 1.00 14.20 H new ATOM 0 HG LEU B 199 1.030 9.102 -12.716 1.00 63.14 H new ATOM 0 HD11 LEU B 199 2.891 8.424 -11.253 1.00 61.21 H new ATOM 0 HD12 LEU B 199 3.024 7.697 -12.872 1.00 61.21 H new ATOM 0 HD13 LEU B 199 4.051 9.082 -12.431 1.00 61.21 H new ATOM 0 HD21 LEU B 199 1.833 10.632 -10.958 1.00 14.13 H new ATOM 0 HD22 LEU B 199 2.951 11.379 -12.125 1.00 14.13 H new ATOM 0 HD23 LEU B 199 1.192 11.518 -12.362 1.00 14.13 H new ATOM 1555 N ILE B 200 -0.280 8.312 -15.141 1.00 54.11 N ATOM 1556 CA ILE B 200 -1.494 7.574 -14.816 1.00 74.12 C ATOM 1557 C ILE B 200 -1.560 6.259 -15.585 1.00 63.35 C ATOM 1558 O ILE B 200 -2.139 5.281 -15.112 1.00 54.22 O ATOM 1559 CB ILE B 200 -2.755 8.402 -15.127 1.00 32.41 C ATOM 1560 CG1 ILE B 200 -3.799 8.215 -14.023 1.00 2.43 C ATOM 1561 CG2 ILE B 200 -3.329 8.004 -16.479 1.00 53.24 C ATOM 1562 CD1 ILE B 200 -4.167 6.769 -13.778 1.00 43.15 C ATOM 0 H ILE B 200 -0.442 9.214 -15.589 1.00 54.11 H new ATOM 0 HA ILE B 200 -1.461 7.365 -13.747 1.00 74.12 H new ATOM 0 HB ILE B 200 -2.480 9.456 -15.167 1.00 32.41 H new ATOM 0 HG12 ILE B 200 -3.418 8.646 -13.097 1.00 2.43 H new ATOM 0 HG13 ILE B 200 -4.699 8.771 -14.287 1.00 2.43 H new ATOM 0 HG21 ILE B 200 -4.220 8.598 -16.685 1.00 53.24 H new ATOM 0 HG22 ILE B 200 -2.586 8.182 -17.256 1.00 53.24 H new ATOM 0 HG23 ILE B 200 -3.593 6.947 -16.465 1.00 53.24 H new ATOM 0 HD11 ILE B 200 -4.911 6.712 -12.983 1.00 43.15 H new ATOM 0 HD12 ILE B 200 -4.578 6.338 -14.691 1.00 43.15 H new ATOM 0 HD13 ILE B 200 -3.278 6.212 -13.483 1.00 43.15 H new ATOM 1574 N ASN B 201 -0.962 6.242 -16.771 1.00 13.32 N ATOM 1575 CA ASN B 201 -0.951 5.046 -17.605 1.00 2.11 C ATOM 1576 C ASN B 201 -0.207 3.907 -16.914 1.00 51.41 C ATOM 1577 O ASN B 201 -0.593 2.744 -17.022 1.00 35.12 O ATOM 1578 CB ASN B 201 -0.303 5.348 -18.958 1.00 63.44 C ATOM 1579 CG ASN B 201 -0.425 4.189 -19.928 1.00 44.01 C ATOM 1580 OD1 ASN B 201 -1.528 3.738 -20.238 1.00 64.52 O ATOM 1581 ND2 ASN B 201 0.710 3.702 -20.413 1.00 14.54 N ATOM 0 H ASN B 201 -0.478 7.043 -17.177 1.00 13.32 H new ATOM 0 HA ASN B 201 -1.984 4.736 -17.766 1.00 2.11 H new ATOM 0 HB2 ASN B 201 -0.770 6.232 -19.392 1.00 63.44 H new ATOM 0 HB3 ASN B 201 0.751 5.584 -18.809 1.00 63.44 H new ATOM 0 HD21 ASN B 201 0.691 2.923 -21.071 1.00 14.54 H new ATOM 0 HD22 ASN B 201 1.602 4.107 -20.128 1.00 14.54 H new ATOM 1588 N ALA B 202 0.862 4.253 -16.204 1.00 31.22 N ATOM 1589 CA ALA B 202 1.660 3.261 -15.494 1.00 73.22 C ATOM 1590 C ALA B 202 0.865 2.632 -14.354 1.00 31.44 C ATOM 1591 O ALA B 202 0.998 1.440 -14.076 1.00 60.31 O ATOM 1592 CB ALA B 202 2.938 3.893 -14.962 1.00 11.40 C ATOM 0 H ALA B 202 1.195 5.212 -16.105 1.00 31.22 H new ATOM 0 HA ALA B 202 1.924 2.472 -16.198 1.00 73.22 H new ATOM 0 HB1 ALA B 202 3.524 3.140 -14.434 1.00 11.40 H new ATOM 0 HB2 ALA B 202 3.521 4.289 -15.793 1.00 11.40 H new ATOM 0 HB3 ALA B 202 2.686 4.703 -14.277 1.00 11.40 H new ATOM 1598 N VAL B 203 0.040 3.440 -13.697 1.00 42.33 N ATOM 1599 CA VAL B 203 -0.776 2.962 -12.587 1.00 1.32 C ATOM 1600 C VAL B 203 -1.833 1.975 -13.069 1.00 63.31 C ATOM 1601 O VAL B 203 -1.952 0.870 -12.539 1.00 31.43 O ATOM 1602 CB VAL B 203 -1.472 4.128 -11.860 1.00 13.14 C ATOM 1603 CG1 VAL B 203 -2.066 3.656 -10.541 1.00 55.42 C ATOM 1604 CG2 VAL B 203 -0.496 5.273 -11.635 1.00 64.03 C ATOM 0 H VAL B 203 -0.081 4.429 -13.914 1.00 42.33 H new ATOM 0 HA VAL B 203 -0.103 2.460 -11.892 1.00 1.32 H new ATOM 0 HB VAL B 203 -2.285 4.492 -12.488 1.00 13.14 H new ATOM 0 HG11 VAL B 203 -2.554 4.493 -10.041 1.00 55.42 H new ATOM 0 HG12 VAL B 203 -2.798 2.871 -10.732 1.00 55.42 H new ATOM 0 HG13 VAL B 203 -1.273 3.265 -9.904 1.00 55.42 H new ATOM 0 HG21 VAL B 203 -1.004 6.088 -11.120 1.00 64.03 H new ATOM 0 HG22 VAL B 203 0.339 4.925 -11.027 1.00 64.03 H new ATOM 0 HG23 VAL B 203 -0.123 5.627 -12.596 1.00 64.03 H new ATOM 1614 N ASP B 204 -2.598 2.380 -14.076 1.00 63.11 N ATOM 1615 CA ASP B 204 -3.645 1.530 -14.630 1.00 44.01 C ATOM 1616 C ASP B 204 -3.096 0.152 -14.987 1.00 72.05 C ATOM 1617 O ASP B 204 -3.762 -0.864 -14.788 1.00 21.43 O ATOM 1618 CB ASP B 204 -4.260 2.184 -15.869 1.00 32.30 C ATOM 1619 CG ASP B 204 -5.468 1.426 -16.384 1.00 41.21 C ATOM 1620 OD1 ASP B 204 -5.337 0.215 -16.657 1.00 12.30 O1- ATOM 1621 OD2 ASP B 204 -6.545 2.045 -16.516 1.00 73.44 O ATOM 0 H ASP B 204 -2.513 3.292 -14.525 1.00 63.11 H new ATOM 0 HA ASP B 204 -4.418 1.407 -13.871 1.00 44.01 H new ATOM 0 HB2 ASP B 204 -4.551 3.207 -15.630 1.00 32.30 H new ATOM 0 HB3 ASP B 204 -3.509 2.242 -16.656 1.00 32.30 H new ATOM 1626 N LEU B 205 -1.878 0.126 -15.516 1.00 75.12 N ATOM 1627 CA LEU B 205 -1.237 -1.126 -15.901 1.00 62.51 C ATOM 1628 C LEU B 205 -0.876 -1.954 -14.672 1.00 3.32 C ATOM 1629 O LEU B 205 -0.893 -3.185 -14.713 1.00 70.31 O ATOM 1630 CB LEU B 205 0.019 -0.847 -16.728 1.00 44.12 C ATOM 1631 CG LEU B 205 -0.154 -0.894 -18.247 1.00 15.43 C ATOM 1632 CD1 LEU B 205 0.617 0.238 -18.908 1.00 31.31 C ATOM 1633 CD2 LEU B 205 0.299 -2.240 -18.793 1.00 0.22 C ATOM 0 H LEU B 205 -1.314 0.958 -15.688 1.00 75.12 H new ATOM 0 HA LEU B 205 -1.943 -1.695 -16.505 1.00 62.51 H new ATOM 0 HB2 LEU B 205 0.398 0.138 -16.456 1.00 44.12 H new ATOM 0 HB3 LEU B 205 0.783 -1.571 -16.447 1.00 44.12 H new ATOM 0 HG LEU B 205 -1.212 -0.768 -18.477 1.00 15.43 H new ATOM 0 HD11 LEU B 205 0.482 0.188 -19.988 1.00 31.31 H new ATOM 0 HD12 LEU B 205 0.246 1.194 -18.540 1.00 31.31 H new ATOM 0 HD13 LEU B 205 1.677 0.144 -18.670 1.00 31.31 H new ATOM 0 HD21 LEU B 205 0.169 -2.256 -19.875 1.00 0.22 H new ATOM 0 HD22 LEU B 205 1.350 -2.395 -18.551 1.00 0.22 H new ATOM 0 HD23 LEU B 205 -0.298 -3.034 -18.344 1.00 0.22 H new ATOM 1645 N ASP B 206 -0.552 -1.271 -13.580 1.00 75.40 N ATOM 1646 CA ASP B 206 -0.190 -1.943 -12.337 1.00 30.55 C ATOM 1647 C ASP B 206 -1.398 -2.651 -11.729 1.00 42.41 C ATOM 1648 O ASP B 206 -1.309 -3.807 -11.317 1.00 21.21 O ATOM 1649 CB ASP B 206 0.385 -0.938 -11.337 1.00 3.13 C ATOM 1650 CG ASP B 206 1.812 -0.546 -11.665 1.00 23.44 C ATOM 1651 OD1 ASP B 206 2.164 -0.538 -12.863 1.00 52.35 O ATOM 1652 OD2 ASP B 206 2.576 -0.248 -10.724 1.00 20.24 O1- ATOM 0 H ASP B 206 -0.532 -0.252 -13.530 1.00 75.40 H new ATOM 0 HA ASP B 206 0.569 -2.691 -12.566 1.00 30.55 H new ATOM 0 HB2 ASP B 206 -0.240 -0.045 -11.324 1.00 3.13 H new ATOM 0 HB3 ASP B 206 0.350 -1.366 -10.335 1.00 3.13 H new ATOM 1657 N ILE B 207 -2.524 -1.947 -11.678 1.00 4.11 N ATOM 1658 CA ILE B 207 -3.749 -2.507 -11.122 1.00 31.34 C ATOM 1659 C ILE B 207 -4.196 -3.738 -11.904 1.00 1.22 C ATOM 1660 O ILE B 207 -4.639 -4.730 -11.325 1.00 53.34 O ATOM 1661 CB ILE B 207 -4.890 -1.473 -11.117 1.00 63.10 C ATOM 1662 CG1 ILE B 207 -4.656 -0.428 -10.024 1.00 15.21 C ATOM 1663 CG2 ILE B 207 -6.231 -2.164 -10.917 1.00 32.52 C ATOM 1664 CD1 ILE B 207 -3.993 0.835 -10.529 1.00 21.53 C ATOM 0 H ILE B 207 -2.613 -0.988 -12.015 1.00 4.11 H new ATOM 0 HA ILE B 207 -3.526 -2.794 -10.094 1.00 31.34 H new ATOM 0 HB ILE B 207 -4.905 -0.966 -12.082 1.00 63.10 H new ATOM 0 HG12 ILE B 207 -5.612 -0.170 -9.568 1.00 15.21 H new ATOM 0 HG13 ILE B 207 -4.037 -0.865 -9.240 1.00 15.21 H new ATOM 0 HG21 ILE B 207 -7.027 -1.420 -10.916 1.00 32.52 H new ATOM 0 HG22 ILE B 207 -6.399 -2.874 -11.727 1.00 32.52 H new ATOM 0 HG23 ILE B 207 -6.229 -2.694 -9.965 1.00 32.52 H new ATOM 0 HD11 ILE B 207 -3.858 1.531 -9.701 1.00 21.53 H new ATOM 0 HD12 ILE B 207 -3.022 0.589 -10.959 1.00 21.53 H new ATOM 0 HD13 ILE B 207 -4.621 1.296 -11.292 1.00 21.53 H new ATOM 1676 N LYS B 208 -4.077 -3.667 -13.226 1.00 54.24 N ATOM 1677 CA LYS B 208 -4.465 -4.775 -14.090 1.00 4.41 C ATOM 1678 C LYS B 208 -3.733 -6.055 -13.697 1.00 42.33 C ATOM 1679 O LYS B 208 -4.309 -7.141 -13.719 1.00 43.10 O ATOM 1680 CB LYS B 208 -4.169 -4.436 -15.553 1.00 41.35 C ATOM 1681 CG LYS B 208 -5.306 -4.781 -16.499 1.00 50.31 C ATOM 1682 CD LYS B 208 -4.795 -5.444 -17.768 1.00 71.33 C ATOM 1683 CE LYS B 208 -4.393 -4.413 -18.812 1.00 22.34 C ATOM 1684 NZ LYS B 208 -2.966 -4.013 -18.676 1.00 35.32 N1+ ATOM 0 H LYS B 208 -3.715 -2.853 -13.722 1.00 54.24 H new ATOM 0 HA LYS B 208 -5.536 -4.938 -13.970 1.00 4.41 H new ATOM 0 HB2 LYS B 208 -3.951 -3.371 -15.634 1.00 41.35 H new ATOM 0 HB3 LYS B 208 -3.272 -4.970 -15.867 1.00 41.35 H new ATOM 0 HG2 LYS B 208 -6.008 -5.447 -15.997 1.00 50.31 H new ATOM 0 HG3 LYS B 208 -5.854 -3.875 -16.756 1.00 50.31 H new ATOM 0 HD2 LYS B 208 -3.939 -6.076 -17.531 1.00 71.33 H new ATOM 0 HD3 LYS B 208 -5.568 -6.095 -18.177 1.00 71.33 H new ATOM 0 HE2 LYS B 208 -4.562 -4.820 -19.809 1.00 22.34 H new ATOM 0 HE3 LYS B 208 -5.028 -3.532 -18.716 1.00 22.34 H new ATOM 0 HZ1 LYS B 208 -2.732 -3.310 -19.405 1.00 35.32 H new ATOM 0 HZ2 LYS B 208 -2.809 -3.601 -17.734 1.00 35.32 H new ATOM 0 HZ3 LYS B 208 -2.358 -4.849 -18.793 1.00 35.32 H new ATOM 1698 N ASN B 209 -2.462 -5.916 -13.335 1.00 21.54 N ATOM 1699 CA ASN B 209 -1.653 -7.062 -12.935 1.00 53.52 C ATOM 1700 C ASN B 209 -2.157 -7.653 -11.622 1.00 44.04 C ATOM 1701 O ASN B 209 -2.043 -8.854 -11.386 1.00 1.13 O ATOM 1702 CB ASN B 209 -0.186 -6.651 -12.793 1.00 74.45 C ATOM 1703 CG ASN B 209 0.727 -7.442 -13.709 1.00 75.31 C ATOM 1704 OD1 ASN B 209 1.514 -8.274 -13.253 1.00 45.20 O ATOM 1705 ND2 ASN B 209 0.628 -7.187 -15.008 1.00 15.23 N ATOM 0 H ASN B 209 -1.970 -5.023 -13.310 1.00 21.54 H new ATOM 0 HA ASN B 209 -1.737 -7.823 -13.711 1.00 53.52 H new ATOM 0 HB2 ASN B 209 -0.086 -5.588 -13.014 1.00 74.45 H new ATOM 0 HB3 ASN B 209 0.130 -6.792 -11.759 1.00 74.45 H new ATOM 0 HD21 ASN B 209 1.217 -7.688 -15.673 1.00 15.23 H new ATOM 0 HD22 ASN B 209 -0.038 -6.490 -15.342 1.00 15.23 H new