USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 180 HIS : no HE2:sc= 0.254 K(o=-0.75,f=-3.4!) USER MOD Set 1.2: B 186 GLN : amide:sc= -1 K(o=-0.75,f=-1.3) USER MOD Single : B 134 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.95) USER MOD Single : B 137 SER OG : rot -27:sc= -0.971! USER MOD Single : B 138 SER OG : rot 110:sc= -0.76 USER MOD Single : B 140 ASN : amide:sc= -1.96 K(o=-2,f=-11!) USER MOD Single : B 142 GLN : amide:sc= -0.597 K(o=-0.6,f=-0.058) USER MOD Single : B 145 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.2) USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD Single : B 153 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 159 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : B 161 GLN : amide:sc=-0.00862 K(o=-0.0086,f=-0.75) USER MOD Single : B 162 LYS NZ :NH3+ -116:sc= 1.17 (180deg=-0.149) USER MOD Single : B 163 GLN : amide:sc= -0.928 K(o=-0.93,f=0) USER MOD Single : B 166 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.31) USER MOD Single : B 173 LYS NZ :NH3+ -147:sc= 1.18 (180deg=0.507) USER MOD Single : B 176 GLN : amide:sc=0.000359 X(o=0.00036,f=-0.28) USER MOD Single : B 178 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 182 ASN : amide:sc= -1.27 K(o=-1.3,f=-11!) USER MOD Single : B 184 LYS NZ :NH3+ 173:sc=-0.00651 (180deg=-0.0719) USER MOD Single : B 187 LYS NZ :NH3+ 179:sc= 1.89 (180deg=1.85) USER MOD Single : B 190 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.3!) USER MOD Single : B 195 LYS NZ :NH3+ 153:sc= 2.12 (180deg=1.66) USER MOD Single : B 197 GLN : amide:sc= -0.716 K(o=-0.72,f=0) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=0) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.134 -1.425 2.109 1.00 55.53 N ATOM 177 CA LEU B 129 -11.964 -1.747 2.919 1.00 45.21 C ATOM 178 C LEU B 129 -10.672 -2.007 2.074 1.00 33.52 C ATOM 179 O LEU B 129 -9.637 -1.396 2.350 1.00 22.43 O ATOM 180 CB LEU B 129 -12.263 -2.915 3.884 1.00 71.14 C ATOM 181 CG LEU B 129 -13.294 -2.652 4.988 1.00 72.10 C ATOM 182 CD1 LEU B 129 -13.543 -3.917 5.790 1.00 71.02 C ATOM 183 CD2 LEU B 129 -12.825 -1.532 5.910 1.00 45.41 C ATOM 0 HA LEU B 129 -11.749 -0.859 3.514 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -12.607 -3.764 3.293 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -11.327 -3.213 4.357 1.00 71.14 H new ATOM 0 HG LEU B 129 -14.227 -2.343 4.516 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -14.277 -3.715 6.570 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -13.921 -4.698 5.130 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -12.610 -4.248 6.247 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -13.572 -1.362 6.686 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -11.879 -1.814 6.373 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -12.688 -0.618 5.332 1.00 45.41 H new ATOM 195 N PRO B 130 -10.697 -2.901 1.016 1.00 0.32 N ATOM 196 CA PRO B 130 -9.511 -3.181 0.160 1.00 63.11 C ATOM 197 C PRO B 130 -8.934 -1.950 -0.501 1.00 21.50 C ATOM 198 O PRO B 130 -7.805 -1.965 -0.920 1.00 1.14 O ATOM 199 CB PRO B 130 -10.079 -4.075 -0.932 1.00 74.52 C ATOM 200 CG PRO B 130 -11.182 -4.781 -0.266 1.00 3.43 C ATOM 201 CD PRO B 130 -11.840 -3.732 0.568 1.00 14.32 C ATOM 0 HA PRO B 130 -8.703 -3.606 0.755 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.432 -3.492 -1.783 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.330 -4.770 -1.311 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -11.876 -5.207 -0.990 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.815 -5.604 0.347 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.561 -3.151 -0.008 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.380 -4.165 1.410 1.00 14.32 H new ATOM 209 N ALA B 131 -9.708 -0.892 -0.564 1.00 12.31 N ATOM 210 CA ALA B 131 -9.333 0.342 -1.251 1.00 41.31 C ATOM 211 C ALA B 131 -7.965 0.873 -0.848 1.00 3.12 C ATOM 212 O ALA B 131 -7.224 1.363 -1.695 1.00 52.45 O ATOM 213 CB ALA B 131 -10.391 1.396 -1.046 1.00 12.14 C ATOM 0 H ALA B 131 -10.633 -0.854 -0.135 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.261 0.094 -2.310 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -10.099 2.310 -1.563 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -11.341 1.041 -1.446 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -10.499 1.600 0.019 1.00 12.14 H new ATOM 219 N LEU B 132 -7.613 0.721 0.415 1.00 31.23 N ATOM 220 CA LEU B 132 -6.344 1.228 0.898 1.00 71.30 C ATOM 221 C LEU B 132 -5.200 0.323 0.398 1.00 32.55 C ATOM 222 O LEU B 132 -4.077 0.758 0.253 1.00 34.51 O ATOM 223 CB LEU B 132 -6.379 1.363 2.459 1.00 34.00 C ATOM 224 CG LEU B 132 -5.941 0.141 3.339 1.00 41.21 C ATOM 225 CD1 LEU B 132 -4.417 0.038 3.482 1.00 25.22 C ATOM 226 CD2 LEU B 132 -6.598 0.190 4.708 1.00 65.03 C ATOM 0 H LEU B 132 -8.184 0.254 1.120 1.00 31.23 H new ATOM 0 HA LEU B 132 -6.161 2.226 0.501 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -5.745 2.207 2.730 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -7.398 1.625 2.744 1.00 34.00 H new ATOM 0 HG LEU B 132 -6.280 -0.754 2.818 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -4.167 -0.824 4.100 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -3.966 -0.079 2.497 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -4.034 0.944 3.951 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -6.277 -0.669 5.297 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -6.308 1.109 5.218 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -7.682 0.166 4.593 1.00 65.03 H new ATOM 238 N VAL B 133 -5.505 -0.946 0.163 1.00 20.30 N ATOM 239 CA VAL B 133 -4.514 -1.896 -0.319 1.00 2.44 C ATOM 240 C VAL B 133 -4.385 -1.837 -1.826 1.00 41.43 C ATOM 241 O VAL B 133 -3.367 -2.173 -2.377 1.00 11.14 O ATOM 242 CB VAL B 133 -4.843 -3.358 0.104 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.636 -4.116 -0.919 1.00 1.21 C ATOM 244 CG2 VAL B 133 -3.619 -4.110 0.445 1.00 60.04 C ATOM 0 H VAL B 133 -6.435 -1.342 0.299 1.00 20.30 H new ATOM 0 HA VAL B 133 -3.569 -1.607 0.141 1.00 2.44 H new ATOM 0 HB VAL B 133 -5.471 -3.265 0.990 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.828 -5.126 -0.556 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.584 -3.607 -1.094 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.073 -4.166 -1.851 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -3.885 -5.126 0.736 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -2.958 -4.142 -0.421 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -3.108 -3.618 1.273 1.00 60.04 H new ATOM 254 N GLN B 134 -5.447 -1.436 -2.465 1.00 51.03 N ATOM 255 CA GLN B 134 -5.557 -1.501 -3.914 1.00 1.43 C ATOM 256 C GLN B 134 -4.433 -0.801 -4.655 1.00 10.22 C ATOM 257 O GLN B 134 -3.869 -1.330 -5.608 1.00 3.33 O ATOM 258 CB GLN B 134 -6.917 -1.029 -4.409 1.00 62.21 C ATOM 259 CG GLN B 134 -8.039 -1.960 -4.020 1.00 72.32 C ATOM 260 CD GLN B 134 -7.842 -3.360 -4.558 1.00 12.24 C ATOM 261 OE1 GLN B 134 -8.240 -4.333 -3.932 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.282 -3.475 -5.735 1.00 42.35 N ATOM 0 H GLN B 134 -6.271 -1.051 -2.003 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.457 -2.560 -4.151 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.120 -0.036 -4.007 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.890 -0.934 -5.495 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.114 -1.999 -2.933 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.983 -1.561 -4.391 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -6.961 -2.643 -6.231 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -7.166 -4.396 -6.157 1.00 42.35 H new ATOM 271 N LEU B 135 -4.085 0.348 -4.184 1.00 31.00 N ATOM 272 CA LEU B 135 -3.038 1.124 -4.790 1.00 53.40 C ATOM 273 C LEU B 135 -1.652 0.552 -4.498 1.00 44.52 C ATOM 274 O LEU B 135 -0.702 0.925 -5.128 1.00 61.22 O ATOM 275 CB LEU B 135 -3.122 2.629 -4.453 1.00 12.34 C ATOM 276 CG LEU B 135 -3.015 3.066 -2.982 1.00 11.04 C ATOM 277 CD1 LEU B 135 -2.889 4.560 -2.918 1.00 24.03 C ATOM 278 CD2 LEU B 135 -4.231 2.640 -2.172 1.00 52.53 C ATOM 0 H LEU B 135 -4.514 0.783 -3.367 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.199 1.046 -5.865 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.331 3.136 -5.006 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.071 3.001 -4.840 1.00 12.34 H new ATOM 0 HG LEU B 135 -2.136 2.583 -2.555 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -2.813 4.874 -1.877 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -1.995 4.873 -3.458 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -3.767 5.019 -3.372 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -4.114 2.969 -1.139 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -5.128 3.091 -2.597 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -4.324 1.554 -2.199 1.00 52.53 H new ATOM 290 N LEU B 136 -1.560 -0.381 -3.571 1.00 21.22 N ATOM 291 CA LEU B 136 -0.316 -1.005 -3.203 1.00 44.41 C ATOM 292 C LEU B 136 0.150 -1.977 -4.282 1.00 40.11 C ATOM 293 O LEU B 136 1.288 -2.393 -4.293 1.00 61.31 O ATOM 294 CB LEU B 136 -0.522 -1.737 -1.888 1.00 1.14 C ATOM 295 CG LEU B 136 -0.154 -1.018 -0.573 1.00 52.41 C ATOM 296 CD1 LEU B 136 1.329 -0.709 -0.510 1.00 41.23 C ATOM 297 CD2 LEU B 136 -0.962 0.257 -0.390 1.00 34.05 C ATOM 0 H LEU B 136 -2.363 -0.728 -3.047 1.00 21.22 H new ATOM 0 HA LEU B 136 0.456 -0.243 -3.095 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.573 -2.018 -1.828 1.00 1.14 H new ATOM 0 HB3 LEU B 136 0.053 -2.662 -1.931 1.00 1.14 H new ATOM 0 HG LEU B 136 -0.400 -1.699 0.242 1.00 52.41 H new ATOM 0 HD11 LEU B 136 1.556 -0.203 0.428 1.00 41.23 H new ATOM 0 HD12 LEU B 136 1.897 -1.638 -0.568 1.00 41.23 H new ATOM 0 HD13 LEU B 136 1.602 -0.064 -1.345 1.00 41.23 H new ATOM 0 HD21 LEU B 136 -0.677 0.737 0.546 1.00 34.05 H new ATOM 0 HD22 LEU B 136 -0.765 0.935 -1.220 1.00 34.05 H new ATOM 0 HD23 LEU B 136 -2.024 0.014 -0.364 1.00 34.05 H new ATOM 309 N SER B 137 -0.736 -2.326 -5.181 1.00 11.45 N ATOM 310 CA SER B 137 -0.392 -3.220 -6.252 1.00 2.00 C ATOM 311 C SER B 137 -0.509 -2.482 -7.603 1.00 23.45 C ATOM 312 O SER B 137 -0.620 -3.100 -8.665 1.00 1.12 O ATOM 313 CB SER B 137 -1.279 -4.487 -6.190 1.00 70.13 C ATOM 314 OG SER B 137 -1.083 -5.356 -7.291 1.00 44.15 O ATOM 0 H SER B 137 -1.703 -2.002 -5.190 1.00 11.45 H new ATOM 0 HA SER B 137 0.642 -3.548 -6.148 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.068 -5.026 -5.267 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.327 -4.189 -6.152 1.00 70.13 H new ATOM 0 HG SER B 137 -0.774 -4.840 -8.064 1.00 44.15 H new ATOM 320 N SER B 138 -0.420 -1.169 -7.522 1.00 30.13 N ATOM 321 CA SER B 138 -0.564 -0.237 -8.627 1.00 70.24 C ATOM 322 C SER B 138 0.333 -0.526 -9.852 1.00 64.22 C ATOM 323 O SER B 138 1.367 -1.225 -9.766 1.00 31.04 O ATOM 324 CB SER B 138 -0.265 1.147 -8.079 1.00 65.30 C ATOM 325 OG SER B 138 0.889 1.117 -7.267 1.00 2.10 O ATOM 0 H SER B 138 -0.235 -0.697 -6.637 1.00 30.13 H new ATOM 0 HA SER B 138 -1.580 -0.333 -9.009 1.00 70.24 H new ATOM 0 HB2 SER B 138 -0.120 1.847 -8.902 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.115 1.507 -7.500 1.00 65.30 H new ATOM 0 HG SER B 138 1.620 1.587 -7.720 1.00 2.10 H new ATOM 331 N PRO B 139 -0.054 0.053 -11.017 1.00 3.54 N ATOM 332 CA PRO B 139 0.716 -0.041 -12.273 1.00 24.41 C ATOM 333 C PRO B 139 1.971 0.811 -12.149 1.00 3.55 C ATOM 334 O PRO B 139 3.068 0.452 -12.581 1.00 33.11 O ATOM 335 CB PRO B 139 -0.209 0.703 -13.277 1.00 51.14 C ATOM 336 CG PRO B 139 -0.930 1.639 -12.384 1.00 12.24 C ATOM 337 CD PRO B 139 -1.301 0.824 -11.219 1.00 64.24 C ATOM 0 HA PRO B 139 0.987 -1.063 -12.539 1.00 24.41 H new ATOM 0 HB2 PRO B 139 0.359 1.227 -14.046 1.00 51.14 H new ATOM 0 HB3 PRO B 139 -0.888 0.022 -13.790 1.00 51.14 H new ATOM 0 HG2 PRO B 139 -0.298 2.479 -12.096 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -1.810 2.056 -12.873 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -1.556 1.433 -10.352 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -2.158 0.181 -11.420 1.00 64.24 H new ATOM 345 N ASN B 140 1.766 1.904 -11.461 1.00 23.02 N ATOM 346 CA ASN B 140 2.622 2.990 -11.413 1.00 20.23 C ATOM 347 C ASN B 140 2.815 3.346 -9.969 1.00 43.12 C ATOM 348 O ASN B 140 1.837 3.513 -9.241 1.00 34.53 O ATOM 349 CB ASN B 140 1.924 4.216 -12.074 1.00 62.14 C ATOM 350 CG ASN B 140 2.887 5.295 -12.464 1.00 24.03 C ATOM 351 OD1 ASN B 140 3.958 5.402 -11.903 1.00 54.34 O ATOM 352 ND2 ASN B 140 2.515 6.108 -13.418 1.00 42.30 N ATOM 0 H ASN B 140 0.930 2.037 -10.891 1.00 23.02 H new ATOM 0 HA ASN B 140 3.559 2.751 -11.916 1.00 20.23 H new ATOM 0 HB2 ASN B 140 1.380 3.885 -12.958 1.00 62.14 H new ATOM 0 HB3 ASN B 140 1.188 4.625 -11.382 1.00 62.14 H new ATOM 0 HD21 ASN B 140 3.133 6.864 -13.714 1.00 42.30 H new ATOM 0 HD22 ASN B 140 1.607 5.987 -13.866 1.00 42.30 H new ATOM 359 N GLU B 141 4.035 3.509 -9.580 1.00 73.15 N ATOM 360 CA GLU B 141 4.387 3.930 -8.234 1.00 45.35 C ATOM 361 C GLU B 141 3.881 5.368 -8.016 1.00 73.44 C ATOM 362 O GLU B 141 3.463 5.755 -6.927 1.00 64.43 O ATOM 363 CB GLU B 141 5.899 3.875 -8.126 1.00 72.42 C ATOM 364 CG GLU B 141 6.467 2.474 -8.320 1.00 31.50 C ATOM 365 CD GLU B 141 7.922 2.472 -8.721 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.786 2.775 -7.899 1.00 2.24 O1- ATOM 367 OE2 GLU B 141 8.221 2.154 -9.902 1.00 72.31 O ATOM 0 H GLU B 141 4.841 3.355 -10.186 1.00 73.15 H new ATOM 0 HA GLU B 141 3.936 3.286 -7.479 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.334 4.542 -8.870 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.200 4.249 -7.148 1.00 72.42 H new ATOM 0 HG2 GLU B 141 6.351 1.911 -7.394 1.00 31.50 H new ATOM 0 HG3 GLU B 141 5.886 1.956 -9.083 1.00 31.50 H new ATOM 374 N GLN B 142 3.849 6.104 -9.108 1.00 51.13 N ATOM 375 CA GLN B 142 3.430 7.489 -9.141 1.00 31.54 C ATOM 376 C GLN B 142 1.954 7.642 -8.833 1.00 51.24 C ATOM 377 O GLN B 142 1.561 8.444 -7.990 1.00 5.41 O ATOM 378 CB GLN B 142 3.705 8.045 -10.526 1.00 3.13 C ATOM 379 CG GLN B 142 5.193 8.038 -10.902 1.00 43.42 C ATOM 380 CD GLN B 142 6.103 8.751 -9.896 1.00 72.43 C ATOM 381 OE1 GLN B 142 7.265 8.365 -9.719 1.00 44.11 O ATOM 382 NE2 GLN B 142 5.613 9.783 -9.249 1.00 63.34 N ATOM 0 H GLN B 142 4.122 5.744 -10.023 1.00 51.13 H new ATOM 0 HA GLN B 142 3.989 8.032 -8.379 1.00 31.54 H new ATOM 0 HB2 GLN B 142 3.150 7.461 -11.260 1.00 3.13 H new ATOM 0 HB3 GLN B 142 3.329 9.067 -10.580 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.525 7.005 -11.005 1.00 43.42 H new ATOM 0 HG3 GLN B 142 5.311 8.509 -11.878 1.00 43.42 H new ATOM 0 HE21 GLN B 142 4.651 10.079 -9.415 1.00 63.34 H new ATOM 0 HE22 GLN B 142 6.194 10.289 -8.580 1.00 63.34 H new ATOM 391 N ILE B 143 1.146 6.832 -9.486 1.00 34.31 N ATOM 392 CA ILE B 143 -0.300 6.938 -9.372 1.00 21.53 C ATOM 393 C ILE B 143 -0.744 6.505 -7.973 1.00 1.45 C ATOM 394 O ILE B 143 -1.797 6.926 -7.466 1.00 53.35 O ATOM 395 CB ILE B 143 -1.008 6.138 -10.516 1.00 14.02 C ATOM 396 CG1 ILE B 143 -0.888 4.637 -10.364 1.00 73.10 C ATOM 397 CG2 ILE B 143 -0.528 6.588 -11.852 1.00 44.30 C ATOM 398 CD1 ILE B 143 -1.992 4.038 -9.551 1.00 51.44 C ATOM 0 H ILE B 143 1.466 6.088 -10.106 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.602 7.978 -9.498 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.072 6.360 -10.434 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -0.882 4.177 -11.352 1.00 73.10 H new ATOM 0 HG13 ILE B 143 0.068 4.401 -9.897 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.034 6.018 -12.631 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -0.746 7.648 -11.979 1.00 44.30 H new ATOM 0 HG23 ILE B 143 0.548 6.427 -11.925 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.848 2.960 -9.480 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.984 4.472 -8.551 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -2.949 4.245 -10.029 1.00 51.44 H new ATOM 410 N LEU B 144 0.091 5.664 -7.368 1.00 55.31 N ATOM 411 CA LEU B 144 -0.070 5.208 -6.010 1.00 51.23 C ATOM 412 C LEU B 144 0.051 6.399 -5.078 1.00 35.13 C ATOM 413 O LEU B 144 -0.827 6.653 -4.274 1.00 44.33 O ATOM 414 CB LEU B 144 0.991 4.092 -5.719 1.00 3.21 C ATOM 415 CG LEU B 144 1.195 3.585 -4.263 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.856 2.232 -4.279 1.00 13.41 C ATOM 417 CD2 LEU B 144 2.114 4.504 -3.499 1.00 24.12 C ATOM 0 H LEU B 144 0.915 5.277 -7.829 1.00 55.31 H new ATOM 0 HA LEU B 144 -1.054 4.767 -5.849 1.00 51.23 H new ATOM 0 HB2 LEU B 144 0.732 3.228 -6.331 1.00 3.21 H new ATOM 0 HB3 LEU B 144 1.954 4.458 -6.075 1.00 3.21 H new ATOM 0 HG LEU B 144 0.213 3.545 -3.792 1.00 52.24 H new ATOM 0 HD11 LEU B 144 1.996 1.883 -3.256 1.00 13.41 H new ATOM 0 HD12 LEU B 144 1.226 1.526 -4.820 1.00 13.41 H new ATOM 0 HD13 LEU B 144 2.825 2.306 -4.772 1.00 13.41 H new ATOM 0 HD21 LEU B 144 2.242 4.129 -2.484 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.084 4.544 -3.996 1.00 24.12 H new ATOM 0 HD23 LEU B 144 1.682 5.504 -3.465 1.00 24.12 H new ATOM 429 N GLN B 145 1.112 7.159 -5.250 1.00 62.02 N ATOM 430 CA GLN B 145 1.375 8.330 -4.429 1.00 14.14 C ATOM 431 C GLN B 145 0.340 9.415 -4.634 1.00 53.32 C ATOM 432 O GLN B 145 -0.010 10.129 -3.683 1.00 13.44 O ATOM 433 CB GLN B 145 2.794 8.815 -4.654 1.00 31.14 C ATOM 434 CG GLN B 145 3.817 7.889 -4.017 1.00 35.44 C ATOM 435 CD GLN B 145 4.125 8.226 -2.576 1.00 5.04 C ATOM 436 OE1 GLN B 145 3.295 8.757 -1.847 1.00 4.41 O ATOM 437 NE2 GLN B 145 5.333 7.929 -2.161 1.00 60.40 N ATOM 0 H GLN B 145 1.820 6.985 -5.963 1.00 62.02 H new ATOM 0 HA GLN B 145 1.287 8.044 -3.381 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.987 8.888 -5.724 1.00 31.14 H new ATOM 0 HB3 GLN B 145 2.905 9.818 -4.241 1.00 31.14 H new ATOM 0 HG2 GLN B 145 3.450 6.864 -4.071 1.00 35.44 H new ATOM 0 HG3 GLN B 145 4.740 7.928 -4.596 1.00 35.44 H new ATOM 0 HE21 GLN B 145 5.997 7.487 -2.797 1.00 60.40 H new ATOM 0 HE22 GLN B 145 5.609 8.140 -1.202 1.00 60.40 H new ATOM 446 N GLU B 146 -0.170 9.515 -5.854 1.00 55.14 N ATOM 447 CA GLU B 146 -1.252 10.442 -6.158 1.00 32.43 C ATOM 448 C GLU B 146 -2.506 10.077 -5.372 1.00 61.02 C ATOM 449 O GLU B 146 -3.072 10.906 -4.658 1.00 62.21 O ATOM 450 CB GLU B 146 -1.585 10.456 -7.646 1.00 61.15 C ATOM 451 CG GLU B 146 -0.475 10.946 -8.548 1.00 73.43 C ATOM 452 CD GLU B 146 -0.916 10.993 -9.983 1.00 74.32 C ATOM 453 OE1 GLU B 146 -1.471 12.036 -10.417 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 -0.755 10.001 -10.701 1.00 3.34 O ATOM 0 H GLU B 146 0.149 8.964 -6.651 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.910 11.436 -5.870 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.860 9.446 -7.950 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -2.462 11.085 -7.800 1.00 61.15 H new ATOM 0 HG2 GLU B 146 -0.158 11.939 -8.230 1.00 73.43 H new ATOM 0 HG3 GLU B 146 0.390 10.290 -8.453 1.00 73.43 H new ATOM 461 N ALA B 147 -2.920 8.831 -5.481 1.00 15.44 N ATOM 462 CA ALA B 147 -4.127 8.371 -4.806 1.00 72.45 C ATOM 463 C ALA B 147 -3.959 8.302 -3.279 1.00 11.52 C ATOM 464 O ALA B 147 -4.938 8.420 -2.533 1.00 71.22 O ATOM 465 CB ALA B 147 -4.576 7.033 -5.370 1.00 4.23 C ATOM 0 H ALA B 147 -2.442 8.116 -6.029 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.905 9.110 -4.998 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.478 6.705 -4.854 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.785 7.138 -6.435 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.787 6.294 -5.226 1.00 4.23 H new ATOM 471 N LEU B 148 -2.719 8.174 -2.823 1.00 50.13 N ATOM 472 CA LEU B 148 -2.405 8.040 -1.400 1.00 10.21 C ATOM 473 C LEU B 148 -2.868 9.211 -0.593 1.00 72.25 C ATOM 474 O LEU B 148 -3.263 9.031 0.523 1.00 11.01 O ATOM 475 CB LEU B 148 -0.911 7.853 -1.143 1.00 24.22 C ATOM 476 CG LEU B 148 -0.342 6.445 -1.168 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.162 6.515 -1.006 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.932 5.610 -0.035 1.00 53.12 C ATOM 0 H LEU B 148 -1.898 8.160 -3.429 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.944 7.146 -1.086 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.371 8.442 -1.884 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.686 8.284 -0.168 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.597 5.977 -2.119 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.577 5.507 -1.023 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.589 7.097 -1.822 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.404 6.991 -0.056 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.513 4.604 -0.068 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.690 6.072 0.922 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -2.015 5.556 -0.148 1.00 53.12 H new ATOM 490 N TRP B 149 -2.838 10.394 -1.152 1.00 72.11 N ATOM 491 CA TRP B 149 -3.239 11.573 -0.408 1.00 73.33 C ATOM 492 C TRP B 149 -4.627 11.434 0.188 1.00 33.51 C ATOM 493 O TRP B 149 -4.865 11.807 1.342 1.00 12.44 O ATOM 494 CB TRP B 149 -3.120 12.813 -1.251 1.00 5.20 C ATOM 495 CG TRP B 149 -1.709 13.319 -1.351 1.00 21.45 C ATOM 496 CD1 TRP B 149 -0.936 13.750 -0.318 1.00 14.14 C ATOM 497 CD2 TRP B 149 -0.906 13.473 -2.536 1.00 64.10 C ATOM 498 NE1 TRP B 149 0.295 14.127 -0.775 1.00 44.31 N ATOM 499 CE2 TRP B 149 0.344 13.973 -2.124 1.00 41.22 C ATOM 500 CE3 TRP B 149 -1.110 13.229 -3.892 1.00 50.34 C ATOM 501 CZ2 TRP B 149 1.377 14.234 -3.016 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -0.081 13.493 -4.778 1.00 0.00 C ATOM 503 CH2 TRP B 149 1.145 13.986 -4.335 1.00 21.30 C ATOM 0 H TRP B 149 -2.543 10.572 -2.112 1.00 72.11 H new ATOM 0 HA TRP B 149 -2.550 11.672 0.430 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -3.497 12.603 -2.252 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.752 13.595 -0.830 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -1.250 13.789 0.715 1.00 14.14 H new ATOM 0 HE1 TRP B 149 1.059 14.471 -0.193 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -2.054 12.841 -4.245 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 2.327 14.619 -2.676 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -0.230 13.314 -5.832 1.00 0.00 H new ATOM 0 HH2 TRP B 149 1.929 14.176 -5.054 1.00 21.30 H new ATOM 514 N ALA B 150 -5.520 10.881 -0.572 1.00 4.41 N ATOM 515 CA ALA B 150 -6.828 10.618 -0.081 1.00 55.10 C ATOM 516 C ALA B 150 -6.877 9.241 0.632 1.00 74.03 C ATOM 517 O ALA B 150 -7.397 9.103 1.735 1.00 33.30 O ATOM 518 CB ALA B 150 -7.834 10.674 -1.215 1.00 15.21 C ATOM 0 H ALA B 150 -5.361 10.603 -1.540 1.00 4.41 H new ATOM 0 HA ALA B 150 -7.088 11.385 0.649 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.832 10.471 -0.826 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -7.816 11.665 -1.669 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.578 9.926 -1.966 1.00 15.21 H new ATOM 524 N LEU B 151 -6.264 8.253 0.002 1.00 70.43 N ATOM 525 CA LEU B 151 -6.352 6.847 0.419 1.00 60.43 C ATOM 526 C LEU B 151 -5.518 6.459 1.650 1.00 0.01 C ATOM 527 O LEU B 151 -5.803 5.458 2.302 1.00 1.42 O ATOM 528 CB LEU B 151 -6.054 5.939 -0.770 1.00 30.21 C ATOM 529 CG LEU B 151 -7.090 5.993 -1.913 1.00 35.52 C ATOM 530 CD1 LEU B 151 -6.782 4.985 -2.991 1.00 33.34 C ATOM 531 CD2 LEU B 151 -8.516 5.806 -1.401 1.00 54.11 C ATOM 0 H LEU B 151 -5.683 8.397 -0.824 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.379 6.706 0.756 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -5.077 6.204 -1.174 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.983 4.911 -0.413 1.00 30.21 H new ATOM 0 HG LEU B 151 -7.019 6.990 -2.348 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -7.533 5.053 -3.778 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -5.797 5.190 -3.410 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -6.793 3.982 -2.565 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -9.212 5.851 -2.239 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -8.602 4.837 -0.909 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -8.754 6.596 -0.689 1.00 54.11 H new ATOM 543 N SER B 152 -4.526 7.241 1.981 1.00 60.31 N ATOM 544 CA SER B 152 -3.670 6.976 3.133 1.00 74.51 C ATOM 545 C SER B 152 -4.480 7.124 4.426 1.00 11.20 C ATOM 546 O SER B 152 -4.149 6.541 5.464 1.00 33.33 O ATOM 547 CB SER B 152 -2.472 7.945 3.125 1.00 21.44 C ATOM 548 OG SER B 152 -1.515 7.623 4.111 1.00 22.11 O ATOM 0 H SER B 152 -4.278 8.085 1.465 1.00 60.31 H new ATOM 0 HA SER B 152 -3.290 5.956 3.078 1.00 74.51 H new ATOM 0 HB2 SER B 152 -1.999 7.926 2.143 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.829 8.962 3.287 1.00 21.44 H new ATOM 0 HG SER B 152 -0.773 8.262 4.068 1.00 22.11 H new ATOM 554 N ASN B 153 -5.573 7.871 4.322 1.00 64.24 N ATOM 555 CA ASN B 153 -6.467 8.157 5.432 1.00 44.31 C ATOM 556 C ASN B 153 -7.028 6.864 6.030 1.00 64.55 C ATOM 557 O ASN B 153 -7.210 6.754 7.244 1.00 64.23 O ATOM 558 CB ASN B 153 -7.624 9.014 4.930 1.00 63.41 C ATOM 559 CG ASN B 153 -8.453 9.613 6.042 1.00 23.31 C ATOM 560 OD1 ASN B 153 -7.939 9.934 7.109 1.00 40.43 O ATOM 561 ND2 ASN B 153 -9.729 9.773 5.805 1.00 50.30 N ATOM 0 H ASN B 153 -5.866 8.302 3.445 1.00 64.24 H new ATOM 0 HA ASN B 153 -5.906 8.684 6.204 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -7.228 9.817 4.308 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -8.267 8.406 4.294 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -10.334 10.177 6.520 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -10.120 9.494 4.905 1.00 50.30 H new ATOM 568 N ILE B 154 -7.247 5.871 5.168 1.00 75.13 N ATOM 569 CA ILE B 154 -7.843 4.592 5.585 1.00 55.41 C ATOM 570 C ILE B 154 -6.857 3.833 6.468 1.00 43.23 C ATOM 571 O ILE B 154 -7.228 3.225 7.461 1.00 31.12 O ATOM 572 CB ILE B 154 -8.196 3.676 4.374 1.00 3.11 C ATOM 573 CG1 ILE B 154 -8.682 4.497 3.175 1.00 50.30 C ATOM 574 CG2 ILE B 154 -9.240 2.641 4.783 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.197 3.681 2.003 1.00 21.43 C ATOM 0 H ILE B 154 -7.022 5.923 4.175 1.00 75.13 H new ATOM 0 HA ILE B 154 -8.761 4.832 6.121 1.00 55.41 H new ATOM 0 HB ILE B 154 -7.289 3.155 4.067 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -9.476 5.165 3.509 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -7.862 5.125 2.828 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -9.478 2.007 3.929 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -8.845 2.026 5.592 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -10.143 3.149 5.121 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -9.517 4.352 1.206 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -8.403 3.032 1.634 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -10.042 3.073 2.326 1.00 21.43 H new ATOM 587 N ALA B 155 -5.584 3.949 6.124 1.00 10.31 N ATOM 588 CA ALA B 155 -4.498 3.251 6.809 1.00 14.12 C ATOM 589 C ALA B 155 -4.283 3.779 8.232 1.00 64.41 C ATOM 590 O ALA B 155 -3.580 3.158 9.046 1.00 71.04 O ATOM 591 CB ALA B 155 -3.209 3.338 6.001 1.00 41.11 C ATOM 0 H ALA B 155 -5.268 4.537 5.352 1.00 10.31 H new ATOM 0 HA ALA B 155 -4.788 2.204 6.893 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -2.413 2.812 6.528 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -3.361 2.880 5.023 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -2.930 4.384 5.873 1.00 41.11 H new ATOM 597 N SER B 156 -4.831 4.941 8.506 1.00 4.52 N ATOM 598 CA SER B 156 -4.702 5.555 9.799 1.00 54.22 C ATOM 599 C SER B 156 -5.821 5.043 10.747 1.00 33.11 C ATOM 600 O SER B 156 -5.748 5.224 11.965 1.00 31.14 O ATOM 601 CB SER B 156 -4.750 7.089 9.642 1.00 51.15 C ATOM 602 OG SER B 156 -4.278 7.766 10.810 1.00 71.21 O ATOM 0 H SER B 156 -5.377 5.483 7.837 1.00 4.52 H new ATOM 0 HA SER B 156 -3.745 5.285 10.244 1.00 54.22 H new ATOM 0 HB2 SER B 156 -4.146 7.384 8.784 1.00 51.15 H new ATOM 0 HB3 SER B 156 -5.774 7.399 9.433 1.00 51.15 H new ATOM 0 HG SER B 156 -4.324 8.735 10.668 1.00 71.21 H new ATOM 608 N GLY B 157 -6.826 4.369 10.181 1.00 64.35 N ATOM 609 CA GLY B 157 -7.923 3.840 10.977 1.00 65.32 C ATOM 610 C GLY B 157 -7.562 2.498 11.572 1.00 30.23 C ATOM 611 O GLY B 157 -7.956 1.453 11.055 1.00 41.22 O ATOM 0 H GLY B 157 -6.898 4.181 9.181 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -8.170 4.541 11.774 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -8.813 3.739 10.355 1.00 65.32 H new ATOM 615 N GLY B 158 -6.827 2.540 12.662 1.00 4.51 N ATOM 616 CA GLY B 158 -6.265 1.355 13.283 1.00 1.13 C ATOM 617 C GLY B 158 -7.258 0.287 13.737 1.00 32.24 C ATOM 618 O GLY B 158 -7.043 -0.905 13.477 1.00 23.13 O ATOM 0 H GLY B 158 -6.599 3.407 13.149 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -5.570 0.897 12.578 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -5.681 1.668 14.149 1.00 1.13 H new ATOM 622 N ASN B 159 -8.330 0.693 14.379 1.00 23.14 N ATOM 623 CA ASN B 159 -9.271 -0.261 14.990 1.00 4.32 C ATOM 624 C ASN B 159 -10.018 -1.122 13.977 1.00 43.12 C ATOM 625 O ASN B 159 -10.074 -2.351 14.118 1.00 73.44 O ATOM 626 CB ASN B 159 -10.269 0.457 15.905 1.00 41.53 C ATOM 627 CG ASN B 159 -11.269 -0.474 16.568 1.00 73.54 C ATOM 628 OD1 ASN B 159 -12.355 -0.730 16.028 1.00 53.51 O ATOM 629 ND2 ASN B 159 -10.931 -0.970 17.732 1.00 13.35 N ATOM 0 H ASN B 159 -8.585 1.673 14.500 1.00 23.14 H new ATOM 0 HA ASN B 159 -8.655 -0.938 15.582 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -9.719 0.994 16.677 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -10.811 1.202 15.323 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -11.571 -1.591 18.227 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -10.028 -0.735 18.143 1.00 13.35 H new ATOM 636 N GLU B 160 -10.582 -0.503 12.971 1.00 61.13 N ATOM 637 CA GLU B 160 -11.396 -1.228 12.029 1.00 44.33 C ATOM 638 C GLU B 160 -10.818 -1.216 10.621 1.00 21.45 C ATOM 639 O GLU B 160 -10.535 -2.261 10.073 1.00 55.12 O ATOM 640 CB GLU B 160 -12.843 -0.706 12.041 1.00 21.44 C ATOM 641 CG GLU B 160 -13.764 -1.408 11.050 1.00 75.15 C ATOM 642 CD GLU B 160 -15.193 -0.942 11.138 1.00 34.45 C ATOM 643 OE1 GLU B 160 -15.461 0.241 10.881 1.00 5.33 O ATOM 644 OE2 GLU B 160 -16.088 -1.777 11.427 1.00 51.14 O1- ATOM 0 H GLU B 160 -10.493 0.496 12.784 1.00 61.13 H new ATOM 0 HA GLU B 160 -11.401 -2.269 12.351 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -13.251 -0.821 13.045 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -12.835 0.361 11.820 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -13.395 -1.239 10.038 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -13.727 -2.483 11.228 1.00 75.15 H new ATOM 651 N GLN B 161 -10.599 -0.035 10.068 1.00 55.22 N ATOM 652 CA GLN B 161 -10.177 0.115 8.656 1.00 4.24 C ATOM 653 C GLN B 161 -8.882 -0.666 8.343 1.00 2.21 C ATOM 654 O GLN B 161 -8.757 -1.306 7.301 1.00 4.14 O ATOM 655 CB GLN B 161 -9.984 1.594 8.330 1.00 73.31 C ATOM 656 CG GLN B 161 -11.227 2.465 8.502 1.00 74.15 C ATOM 657 CD GLN B 161 -12.352 2.121 7.541 1.00 63.34 C ATOM 658 OE1 GLN B 161 -12.416 2.653 6.434 1.00 30.32 O ATOM 659 NE2 GLN B 161 -13.264 1.278 7.961 1.00 71.32 N ATOM 0 H GLN B 161 -10.703 0.849 10.567 1.00 55.22 H new ATOM 0 HA GLN B 161 -10.966 -0.305 8.033 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -9.192 1.989 8.966 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -9.639 1.681 7.300 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -11.591 2.365 9.524 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -10.950 3.510 8.363 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -13.180 0.855 8.885 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -14.057 1.045 7.364 1.00 71.32 H new ATOM 668 N LYS B 162 -7.970 -0.637 9.283 1.00 0.01 N ATOM 669 CA LYS B 162 -6.660 -1.269 9.182 1.00 53.04 C ATOM 670 C LYS B 162 -6.723 -2.814 9.078 1.00 54.42 C ATOM 671 O LYS B 162 -5.754 -3.442 8.684 1.00 41.24 O ATOM 672 CB LYS B 162 -5.768 -0.812 10.356 1.00 52.24 C ATOM 673 CG LYS B 162 -4.318 -1.259 10.306 1.00 72.31 C ATOM 674 CD LYS B 162 -3.571 -0.764 11.531 1.00 53.42 C ATOM 675 CE LYS B 162 -3.910 -1.543 12.801 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.344 -2.905 12.801 1.00 22.01 N1+ ATOM 0 H LYS B 162 -8.115 -0.159 10.172 1.00 0.01 H new ATOM 0 HA LYS B 162 -6.215 -0.940 8.243 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -5.790 0.277 10.400 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -6.208 -1.178 11.284 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -4.267 -2.347 10.256 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -3.843 -0.876 9.403 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -2.499 -0.832 11.346 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -3.801 0.290 11.687 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -3.535 -0.998 13.668 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -4.993 -1.604 12.907 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -4.116 -3.602 12.806 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -2.762 -3.039 11.950 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.755 -3.036 13.648 1.00 22.01 H new ATOM 690 N GLN B 163 -7.830 -3.431 9.471 1.00 45.04 N ATOM 691 CA GLN B 163 -7.924 -4.909 9.455 1.00 54.43 C ATOM 692 C GLN B 163 -7.917 -5.455 8.007 1.00 43.34 C ATOM 693 O GLN B 163 -7.347 -6.510 7.737 1.00 51.54 O ATOM 694 CB GLN B 163 -9.201 -5.373 10.163 1.00 0.44 C ATOM 695 CG GLN B 163 -10.447 -5.147 9.338 1.00 12.45 C ATOM 696 CD GLN B 163 -11.736 -5.474 10.055 1.00 32.52 C ATOM 697 OE1 GLN B 163 -12.704 -5.882 9.429 1.00 71.21 O ATOM 698 NE2 GLN B 163 -11.774 -5.299 11.347 1.00 35.45 N ATOM 0 H GLN B 163 -8.668 -2.953 9.801 1.00 45.04 H new ATOM 0 HA GLN B 163 -7.053 -5.299 9.982 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -9.115 -6.434 10.398 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -9.298 -4.843 11.111 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -10.475 -4.104 9.022 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.384 -5.752 8.434 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -10.949 -4.957 11.840 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -12.629 -5.504 11.864 1.00 35.45 H new ATOM 707 N ALA B 164 -8.483 -4.650 7.106 1.00 52.32 N ATOM 708 CA ALA B 164 -8.764 -4.953 5.689 1.00 30.11 C ATOM 709 C ALA B 164 -7.606 -5.547 4.963 1.00 13.35 C ATOM 710 O ALA B 164 -7.741 -6.467 4.162 1.00 74.41 O ATOM 711 CB ALA B 164 -9.017 -3.648 5.039 1.00 12.31 C ATOM 0 H ALA B 164 -8.779 -3.706 7.356 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.588 -5.666 5.654 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.233 -3.804 3.982 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -9.869 -3.163 5.516 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.136 -3.014 5.140 1.00 12.31 H new ATOM 717 N VAL B 165 -6.496 -4.996 5.265 1.00 3.02 N ATOM 718 CA VAL B 165 -5.247 -5.204 4.607 1.00 13.21 C ATOM 719 C VAL B 165 -4.874 -6.692 4.424 1.00 2.43 C ATOM 720 O VAL B 165 -4.410 -7.074 3.371 1.00 61.00 O ATOM 721 CB VAL B 165 -4.146 -4.447 5.384 1.00 33.10 C ATOM 722 CG1 VAL B 165 -4.562 -3.052 5.581 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.030 -4.988 6.721 1.00 41.10 C ATOM 0 H VAL B 165 -6.420 -4.334 6.038 1.00 3.02 H new ATOM 0 HA VAL B 165 -5.341 -4.812 3.594 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.217 -4.534 4.820 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -3.787 -2.515 6.129 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -4.716 -2.578 4.612 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -5.492 -3.026 6.149 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.253 -4.451 7.265 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.981 -4.876 7.242 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.769 -6.045 6.665 1.00 41.10 H new ATOM 733 N LYS B 166 -5.133 -7.535 5.401 1.00 72.33 N ATOM 734 CA LYS B 166 -4.691 -8.911 5.280 1.00 62.53 C ATOM 735 C LYS B 166 -5.683 -9.715 4.475 1.00 61.12 C ATOM 736 O LYS B 166 -5.295 -10.573 3.682 1.00 13.14 O ATOM 737 CB LYS B 166 -4.390 -9.568 6.636 1.00 64.02 C ATOM 738 CG LYS B 166 -3.402 -8.780 7.492 1.00 21.20 C ATOM 739 CD LYS B 166 -4.094 -7.753 8.400 1.00 51.32 C ATOM 740 CE LYS B 166 -4.756 -8.470 9.560 1.00 50.03 C ATOM 741 NZ LYS B 166 -5.504 -7.575 10.452 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.630 -7.305 6.261 1.00 72.33 H new ATOM 0 HA LYS B 166 -3.742 -8.897 4.744 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -5.322 -9.686 7.188 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -3.992 -10.568 6.465 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -2.826 -9.473 8.106 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -2.694 -8.266 6.842 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -3.366 -7.032 8.772 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -4.837 -7.193 7.833 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -5.433 -9.229 9.169 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -3.993 -8.991 10.138 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -5.625 -8.031 11.379 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -4.980 -6.684 10.570 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -6.438 -7.375 10.040 1.00 65.44 H new ATOM 755 N GLU B 167 -6.954 -9.418 4.672 1.00 75.44 N ATOM 756 CA GLU B 167 -8.026 -10.002 3.947 1.00 33.13 C ATOM 757 C GLU B 167 -7.883 -9.674 2.453 1.00 4.33 C ATOM 758 O GLU B 167 -7.925 -10.562 1.594 1.00 61.22 O ATOM 759 CB GLU B 167 -9.301 -9.414 4.502 1.00 35.41 C ATOM 760 CG GLU B 167 -10.450 -10.355 4.437 1.00 14.32 C ATOM 761 CD GLU B 167 -10.931 -10.641 3.041 1.00 71.10 C ATOM 762 OE1 GLU B 167 -11.671 -9.816 2.474 1.00 34.35 O ATOM 763 OE2 GLU B 167 -10.572 -11.691 2.477 1.00 51.30 O1- ATOM 0 H GLU B 167 -7.260 -8.739 5.368 1.00 75.44 H new ATOM 0 HA GLU B 167 -8.030 -11.087 4.048 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.138 -9.119 5.539 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.548 -8.508 3.948 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -10.164 -11.294 4.911 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -11.276 -9.944 5.017 1.00 14.32 H new ATOM 770 N ALA B 168 -7.652 -8.405 2.160 1.00 51.34 N ATOM 771 CA ALA B 168 -7.499 -7.932 0.785 1.00 12.43 C ATOM 772 C ALA B 168 -6.166 -8.396 0.179 1.00 34.44 C ATOM 773 O ALA B 168 -5.949 -8.334 -1.038 1.00 25.22 O ATOM 774 CB ALA B 168 -7.625 -6.428 0.745 1.00 40.11 C ATOM 0 H ALA B 168 -7.565 -7.671 2.863 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.294 -8.365 0.178 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.510 -6.080 -0.282 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.606 -6.135 1.120 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -6.850 -5.981 1.368 1.00 40.11 H new ATOM 780 N GLY B 169 -5.277 -8.823 1.036 1.00 34.33 N ATOM 781 CA GLY B 169 -4.044 -9.403 0.603 1.00 34.02 C ATOM 782 C GLY B 169 -2.951 -8.397 0.411 1.00 4.54 C ATOM 783 O GLY B 169 -2.365 -8.314 -0.660 1.00 31.44 O ATOM 0 H GLY B 169 -5.391 -8.777 2.049 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -3.722 -10.144 1.335 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -4.209 -9.933 -0.335 1.00 34.02 H new ATOM 787 N ALA B 170 -2.669 -7.632 1.446 1.00 35.41 N ATOM 788 CA ALA B 170 -1.599 -6.644 1.425 1.00 34.41 C ATOM 789 C ALA B 170 -0.263 -7.299 1.213 1.00 73.04 C ATOM 790 O ALA B 170 0.630 -6.692 0.679 1.00 1.24 O ATOM 791 CB ALA B 170 -1.598 -5.814 2.696 1.00 13.24 C ATOM 0 H ALA B 170 -3.175 -7.675 2.331 1.00 35.41 H new ATOM 0 HA ALA B 170 -1.782 -5.974 0.585 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -0.789 -5.085 2.654 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -2.551 -5.294 2.792 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -1.453 -6.467 3.557 1.00 13.24 H new ATOM 797 N LEU B 171 -0.160 -8.559 1.600 1.00 61.22 N ATOM 798 CA LEU B 171 1.048 -9.330 1.402 1.00 71.22 C ATOM 799 C LEU B 171 1.283 -9.500 -0.095 1.00 54.15 C ATOM 800 O LEU B 171 2.356 -9.192 -0.602 1.00 23.24 O ATOM 801 CB LEU B 171 0.902 -10.697 2.058 1.00 35.44 C ATOM 802 CG LEU B 171 0.511 -10.698 3.533 1.00 71.12 C ATOM 803 CD1 LEU B 171 0.331 -12.109 4.015 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.556 -9.989 4.370 1.00 11.20 C ATOM 0 H LEU B 171 -0.912 -9.073 2.059 1.00 61.22 H new ATOM 0 HA LEU B 171 1.894 -8.812 1.853 1.00 71.22 H new ATOM 0 HB2 LEU B 171 0.154 -11.264 1.505 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.847 -11.230 1.954 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.431 -10.161 3.639 1.00 71.12 H new ATOM 0 HD11 LEU B 171 0.052 -12.101 5.069 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -0.454 -12.594 3.435 1.00 70.51 H new ATOM 0 HD13 LEU B 171 1.265 -12.658 3.891 1.00 70.51 H new ATOM 0 HD21 LEU B 171 1.254 -10.003 5.417 1.00 11.20 H new ATOM 0 HD22 LEU B 171 2.515 -10.496 4.262 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.652 -8.957 4.034 1.00 11.20 H new ATOM 816 N GLU B 172 0.232 -9.938 -0.791 1.00 61.41 N ATOM 817 CA GLU B 172 0.254 -10.146 -2.237 1.00 12.34 C ATOM 818 C GLU B 172 0.459 -8.818 -2.951 1.00 12.03 C ATOM 819 O GLU B 172 1.246 -8.719 -3.905 1.00 11.21 O ATOM 820 CB GLU B 172 -1.083 -10.713 -2.694 1.00 22.42 C ATOM 821 CG GLU B 172 -1.092 -11.187 -4.131 1.00 4.33 C ATOM 822 CD GLU B 172 -0.284 -12.463 -4.304 1.00 14.33 C ATOM 823 OE1 GLU B 172 -0.786 -13.548 -3.929 1.00 61.51 O ATOM 824 OE2 GLU B 172 0.867 -12.417 -4.782 1.00 71.05 O1- ATOM 0 H GLU B 172 -0.666 -10.160 -0.361 1.00 61.41 H new ATOM 0 HA GLU B 172 1.066 -10.834 -2.473 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -1.353 -11.547 -2.046 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -1.851 -9.950 -2.569 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -2.119 -11.360 -4.451 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -0.684 -10.407 -4.775 1.00 4.33 H new ATOM 831 N LYS B 173 -0.281 -7.804 -2.495 1.00 75.52 N ATOM 832 CA LYS B 173 -0.220 -6.486 -3.069 1.00 52.14 C ATOM 833 C LYS B 173 1.194 -5.903 -2.958 1.00 13.42 C ATOM 834 O LYS B 173 1.739 -5.389 -3.932 1.00 22.05 O ATOM 835 CB LYS B 173 -1.211 -5.519 -2.384 1.00 52.11 C ATOM 836 CG LYS B 173 -2.582 -5.249 -3.056 1.00 23.24 C ATOM 837 CD LYS B 173 -3.656 -6.315 -2.861 1.00 32.34 C ATOM 838 CE LYS B 173 -3.331 -7.592 -3.549 1.00 65.44 C ATOM 839 NZ LYS B 173 -4.402 -8.596 -3.392 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.935 -7.889 -1.717 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.493 -6.589 -4.119 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.405 -5.902 -1.382 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -0.707 -4.560 -2.267 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.968 -4.303 -2.677 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -2.418 -5.121 -4.126 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.785 -6.504 -1.795 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -4.608 -5.938 -3.235 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -3.167 -7.400 -4.609 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -2.399 -7.991 -3.149 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -3.983 -9.547 -3.356 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -4.922 -8.413 -2.510 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -5.056 -8.535 -4.199 1.00 43.00 H new ATOM 853 N LEU B 174 1.778 -6.032 -1.764 1.00 32.33 N ATOM 854 CA LEU B 174 3.097 -5.486 -1.428 1.00 44.15 C ATOM 855 C LEU B 174 4.142 -5.947 -2.427 1.00 4.04 C ATOM 856 O LEU B 174 4.912 -5.145 -2.934 1.00 43.44 O ATOM 857 CB LEU B 174 3.513 -5.952 -0.016 1.00 22.15 C ATOM 858 CG LEU B 174 4.023 -4.882 0.967 1.00 32.13 C ATOM 859 CD1 LEU B 174 5.245 -4.154 0.431 1.00 13.11 C ATOM 860 CD2 LEU B 174 2.913 -3.904 1.321 1.00 43.15 C ATOM 0 H LEU B 174 1.339 -6.528 -0.988 1.00 32.33 H new ATOM 0 HA LEU B 174 3.032 -4.398 -1.458 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.656 -6.446 0.441 1.00 22.15 H new ATOM 0 HB3 LEU B 174 4.293 -6.705 -0.127 1.00 22.15 H new ATOM 0 HG LEU B 174 4.332 -5.395 1.878 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.571 -3.408 1.156 1.00 13.11 H new ATOM 0 HD12 LEU B 174 6.049 -4.870 0.260 1.00 13.11 H new ATOM 0 HD13 LEU B 174 4.992 -3.661 -0.508 1.00 13.11 H new ATOM 0 HD21 LEU B 174 3.295 -3.157 2.016 1.00 43.15 H new ATOM 0 HD22 LEU B 174 2.560 -3.410 0.415 1.00 43.15 H new ATOM 0 HD23 LEU B 174 2.087 -4.443 1.785 1.00 43.15 H new ATOM 872 N GLU B 175 4.104 -7.229 -2.753 1.00 64.22 N ATOM 873 CA GLU B 175 5.036 -7.870 -3.605 1.00 34.22 C ATOM 874 C GLU B 175 5.092 -7.274 -5.017 1.00 30.54 C ATOM 875 O GLU B 175 6.084 -7.441 -5.725 1.00 40.22 O ATOM 876 CB GLU B 175 4.666 -9.317 -3.649 1.00 31.20 C ATOM 877 CG GLU B 175 4.842 -10.033 -2.327 1.00 63.55 C ATOM 878 CD GLU B 175 4.423 -11.477 -2.383 1.00 72.13 C ATOM 879 OE1 GLU B 175 5.169 -12.300 -2.933 1.00 5.21 O ATOM 880 OE2 GLU B 175 3.340 -11.821 -1.880 1.00 12.05 O1- ATOM 0 H GLU B 175 3.383 -7.861 -2.405 1.00 64.22 H new ATOM 0 HA GLU B 175 6.039 -7.723 -3.203 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.627 -9.407 -3.965 1.00 31.20 H new ATOM 0 HB3 GLU B 175 5.273 -9.815 -4.405 1.00 31.20 H new ATOM 0 HG2 GLU B 175 5.888 -9.975 -2.024 1.00 63.55 H new ATOM 0 HG3 GLU B 175 4.260 -9.520 -1.561 1.00 63.55 H new ATOM 887 N GLN B 176 4.051 -6.582 -5.417 1.00 53.05 N ATOM 888 CA GLN B 176 4.012 -5.975 -6.720 1.00 51.12 C ATOM 889 C GLN B 176 4.764 -4.650 -6.669 1.00 15.23 C ATOM 890 O GLN B 176 5.543 -4.306 -7.561 1.00 25.45 O ATOM 891 CB GLN B 176 2.579 -5.706 -7.104 1.00 22.05 C ATOM 892 CG GLN B 176 1.632 -6.874 -6.890 1.00 3.54 C ATOM 893 CD GLN B 176 2.000 -8.127 -7.654 1.00 35.11 C ATOM 894 OE1 GLN B 176 2.603 -8.077 -8.724 1.00 25.33 O ATOM 895 NE2 GLN B 176 1.635 -9.253 -7.120 1.00 12.14 N ATOM 0 H GLN B 176 3.216 -6.427 -4.852 1.00 53.05 H new ATOM 0 HA GLN B 176 4.470 -6.642 -7.450 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.218 -4.853 -6.529 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.547 -5.418 -8.155 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.599 -7.109 -5.826 1.00 3.54 H new ATOM 0 HG3 GLN B 176 0.627 -6.568 -7.180 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.136 -9.258 -6.230 1.00 12.14 H new ATOM 0 HE22 GLN B 176 1.847 -10.133 -7.590 1.00 12.14 H new ATOM 904 N LEU B 177 4.507 -3.910 -5.617 1.00 55.23 N ATOM 905 CA LEU B 177 5.138 -2.619 -5.373 1.00 50.03 C ATOM 906 C LEU B 177 6.577 -2.766 -4.915 1.00 2.24 C ATOM 907 O LEU B 177 7.368 -1.840 -5.021 1.00 11.31 O ATOM 908 CB LEU B 177 4.335 -1.870 -4.350 1.00 4.33 C ATOM 909 CG LEU B 177 4.808 -0.479 -4.004 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.670 0.440 -5.215 1.00 11.02 C ATOM 911 CD2 LEU B 177 4.052 0.050 -2.804 1.00 54.44 C ATOM 0 H LEU B 177 3.845 -4.185 -4.891 1.00 55.23 H new ATOM 0 HA LEU B 177 5.160 -2.063 -6.311 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.308 -1.801 -4.707 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.315 -2.460 -3.434 1.00 4.33 H new ATOM 0 HG LEU B 177 5.864 -0.514 -3.735 1.00 13.40 H new ATOM 0 HD11 LEU B 177 5.014 1.441 -4.953 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.272 0.052 -6.037 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.625 0.484 -5.521 1.00 11.02 H new ATOM 0 HD21 LEU B 177 4.404 1.054 -2.566 1.00 54.44 H new ATOM 0 HD22 LEU B 177 2.986 0.083 -3.031 1.00 54.44 H new ATOM 0 HD23 LEU B 177 4.221 -0.606 -1.950 1.00 54.44 H new ATOM 923 N GLN B 178 6.906 -3.919 -4.404 1.00 31.43 N ATOM 924 CA GLN B 178 8.299 -4.231 -4.012 1.00 34.22 C ATOM 925 C GLN B 178 9.282 -4.071 -5.193 1.00 43.53 C ATOM 926 O GLN B 178 10.459 -3.787 -4.998 1.00 33.40 O ATOM 927 CB GLN B 178 8.429 -5.614 -3.354 1.00 22.20 C ATOM 928 CG GLN B 178 7.790 -5.685 -1.971 1.00 63.12 C ATOM 929 CD GLN B 178 7.861 -7.059 -1.331 1.00 52.34 C ATOM 930 OE1 GLN B 178 7.878 -8.078 -2.013 1.00 3.53 O ATOM 931 NE2 GLN B 178 7.887 -7.096 -0.020 1.00 12.22 N ATOM 0 H GLN B 178 6.244 -4.677 -4.239 1.00 31.43 H new ATOM 0 HA GLN B 178 8.576 -3.495 -3.257 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.967 -6.361 -3.999 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.485 -5.873 -3.273 1.00 22.20 H new ATOM 0 HG2 GLN B 178 8.281 -4.965 -1.317 1.00 63.12 H new ATOM 0 HG3 GLN B 178 6.745 -5.385 -2.048 1.00 63.12 H new ATOM 0 HE21 GLN B 178 7.872 -6.228 0.515 1.00 12.22 H new ATOM 0 HE22 GLN B 178 7.923 -7.993 0.464 1.00 12.22 H new ATOM 940 N SER B 179 8.766 -4.160 -6.407 1.00 11.02 N ATOM 941 CA SER B 179 9.542 -3.972 -7.631 1.00 25.41 C ATOM 942 C SER B 179 9.673 -2.450 -7.972 1.00 10.24 C ATOM 943 O SER B 179 9.907 -2.055 -9.124 1.00 40.01 O ATOM 944 CB SER B 179 8.828 -4.723 -8.747 1.00 32.12 C ATOM 945 OG SER B 179 8.557 -6.062 -8.329 1.00 64.32 O ATOM 0 H SER B 179 7.782 -4.368 -6.578 1.00 11.02 H new ATOM 0 HA SER B 179 10.553 -4.359 -7.506 1.00 25.41 H new ATOM 0 HB2 SER B 179 7.897 -4.216 -9.002 1.00 32.12 H new ATOM 0 HB3 SER B 179 9.444 -4.730 -9.646 1.00 32.12 H new ATOM 0 HG SER B 179 8.096 -6.542 -9.048 1.00 64.32 H new ATOM 951 N HIS B 180 9.499 -1.627 -6.953 1.00 24.01 N ATOM 952 CA HIS B 180 9.603 -0.164 -7.035 1.00 14.12 C ATOM 953 C HIS B 180 11.012 0.297 -7.422 1.00 13.51 C ATOM 954 O HIS B 180 12.000 -0.354 -7.100 1.00 60.24 O ATOM 955 CB HIS B 180 9.217 0.492 -5.674 1.00 1.42 C ATOM 956 CG HIS B 180 10.137 0.158 -4.521 1.00 74.51 C ATOM 957 ND1 HIS B 180 11.215 0.933 -4.161 1.00 63.40 N ATOM 958 CD2 HIS B 180 10.137 -0.880 -3.666 1.00 44.44 C ATOM 959 CE1 HIS B 180 11.831 0.379 -3.149 1.00 71.54 C ATOM 960 NE2 HIS B 180 11.196 -0.718 -2.830 1.00 34.33 N ATOM 0 H HIS B 180 9.275 -1.958 -6.015 1.00 24.01 H new ATOM 0 HA HIS B 180 8.910 0.152 -7.814 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.197 1.574 -5.802 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.205 0.183 -5.413 1.00 1.42 H new ATOM 0 HD1 HIS B 180 11.491 1.805 -4.613 1.00 63.40 H new ATOM 0 HD2 HIS B 180 9.426 -1.693 -3.647 1.00 44.44 H new ATOM 0 HE1 HIS B 180 12.714 0.763 -2.660 1.00 71.54 H new ATOM 969 N GLU B 181 11.069 1.412 -8.082 1.00 2.23 N ATOM 970 CA GLU B 181 12.313 2.067 -8.433 1.00 3.54 C ATOM 971 C GLU B 181 12.367 3.397 -7.687 1.00 21.45 C ATOM 972 O GLU B 181 13.428 4.030 -7.559 1.00 41.00 O ATOM 973 CB GLU B 181 12.394 2.306 -9.935 1.00 22.41 C ATOM 974 CG GLU B 181 12.374 1.038 -10.771 1.00 21.45 C ATOM 975 CD GLU B 181 12.323 1.333 -12.242 1.00 4.11 C ATOM 976 OE1 GLU B 181 13.383 1.571 -12.860 1.00 34.25 O1- ATOM 977 OE2 GLU B 181 11.206 1.367 -12.808 1.00 21.44 O ATOM 0 H GLU B 181 10.240 1.911 -8.404 1.00 2.23 H new ATOM 0 HA GLU B 181 13.156 1.435 -8.154 1.00 3.54 H new ATOM 0 HB2 GLU B 181 11.559 2.939 -10.236 1.00 22.41 H new ATOM 0 HB3 GLU B 181 13.308 2.858 -10.155 1.00 22.41 H new ATOM 0 HG2 GLU B 181 13.262 0.445 -10.551 1.00 21.45 H new ATOM 0 HG3 GLU B 181 11.510 0.434 -10.493 1.00 21.45 H new ATOM 984 N ASN B 182 11.204 3.819 -7.210 1.00 1.10 N ATOM 985 CA ASN B 182 11.060 5.019 -6.408 1.00 51.53 C ATOM 986 C ASN B 182 11.388 4.692 -5.017 1.00 31.02 C ATOM 987 O ASN B 182 10.906 3.716 -4.427 1.00 72.11 O ATOM 988 CB ASN B 182 9.653 5.591 -6.510 1.00 70.24 C ATOM 989 CG ASN B 182 9.486 6.943 -5.838 1.00 71.13 C ATOM 990 OD1 ASN B 182 9.193 7.023 -4.659 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.658 8.004 -6.582 1.00 41.44 N ATOM 0 H ASN B 182 10.325 3.329 -7.373 1.00 1.10 H new ATOM 0 HA ASN B 182 11.742 5.784 -6.781 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.385 5.684 -7.562 1.00 70.24 H new ATOM 0 HB3 ASN B 182 8.952 4.886 -6.064 1.00 70.24 H new ATOM 0 HD21 ASN B 182 9.547 8.934 -6.178 1.00 41.44 H new ATOM 0 HD22 ASN B 182 9.903 7.902 -7.567 1.00 41.44 H new ATOM 998 N GLU B 183 12.186 5.514 -4.519 1.00 21.41 N ATOM 999 CA GLU B 183 12.762 5.407 -3.281 1.00 75.53 C ATOM 1000 C GLU B 183 11.814 5.843 -2.165 1.00 53.13 C ATOM 1001 O GLU B 183 11.839 5.290 -1.072 1.00 62.23 O ATOM 1002 CB GLU B 183 14.065 6.185 -3.283 1.00 4.41 C ATOM 1003 CG GLU B 183 14.016 7.653 -3.748 1.00 71.12 C ATOM 1004 CD GLU B 183 13.825 7.821 -5.239 1.00 70.35 C ATOM 1005 OE1 GLU B 183 14.811 7.848 -5.977 1.00 74.32 O ATOM 1006 OE2 GLU B 183 12.671 7.908 -5.694 1.00 10.34 O1- ATOM 0 H GLU B 183 12.477 6.355 -5.017 1.00 21.41 H new ATOM 0 HA GLU B 183 12.980 4.360 -3.072 1.00 75.53 H new ATOM 0 HB2 GLU B 183 14.470 6.166 -2.271 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.773 5.654 -3.919 1.00 4.41 H new ATOM 0 HG2 GLU B 183 13.203 8.161 -3.229 1.00 71.12 H new ATOM 0 HG3 GLU B 183 14.941 8.148 -3.453 1.00 71.12 H new ATOM 1013 N LYS B 184 10.934 6.787 -2.470 1.00 31.52 N ATOM 1014 CA LYS B 184 9.963 7.285 -1.499 1.00 55.01 C ATOM 1015 C LYS B 184 8.871 6.255 -1.273 1.00 72.22 C ATOM 1016 O LYS B 184 8.178 6.265 -0.252 1.00 13.24 O ATOM 1017 CB LYS B 184 9.350 8.606 -1.959 1.00 13.15 C ATOM 1018 CG LYS B 184 10.347 9.747 -2.075 1.00 23.11 C ATOM 1019 CD LYS B 184 9.679 11.051 -2.512 1.00 51.20 C ATOM 1020 CE LYS B 184 8.631 11.543 -1.510 1.00 41.21 C ATOM 1021 NZ LYS B 184 9.198 11.805 -0.171 1.00 13.42 N1+ ATOM 0 H LYS B 184 10.871 7.227 -3.388 1.00 31.52 H new ATOM 0 HA LYS B 184 10.487 7.463 -0.560 1.00 55.01 H new ATOM 0 HB2 LYS B 184 8.873 8.455 -2.927 1.00 13.15 H new ATOM 0 HB3 LYS B 184 8.566 8.893 -1.259 1.00 13.15 H new ATOM 0 HG2 LYS B 184 10.840 9.897 -1.114 1.00 23.11 H new ATOM 0 HG3 LYS B 184 11.122 9.479 -2.793 1.00 23.11 H new ATOM 0 HD2 LYS B 184 10.441 11.819 -2.641 1.00 51.20 H new ATOM 0 HD3 LYS B 184 9.206 10.905 -3.483 1.00 51.20 H new ATOM 0 HE2 LYS B 184 8.172 12.456 -1.890 1.00 41.21 H new ATOM 0 HE3 LYS B 184 7.839 10.799 -1.425 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 8.475 12.246 0.432 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 9.506 10.909 0.257 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 10.013 12.445 -0.258 1.00 13.42 H new ATOM 1035 N ILE B 185 8.728 5.374 -2.242 1.00 60.21 N ATOM 1036 CA ILE B 185 7.780 4.288 -2.191 1.00 75.21 C ATOM 1037 C ILE B 185 8.041 3.355 -0.989 1.00 0.43 C ATOM 1038 O ILE B 185 7.107 2.795 -0.436 1.00 60.43 O ATOM 1039 CB ILE B 185 7.765 3.507 -3.536 1.00 72.20 C ATOM 1040 CG1 ILE B 185 7.097 4.342 -4.631 1.00 53.13 C ATOM 1041 CG2 ILE B 185 7.102 2.147 -3.416 1.00 64.03 C ATOM 1042 CD1 ILE B 185 5.641 4.665 -4.399 1.00 52.31 C ATOM 0 H ILE B 185 9.278 5.396 -3.100 1.00 60.21 H new ATOM 0 HA ILE B 185 6.789 4.717 -2.044 1.00 75.21 H new ATOM 0 HB ILE B 185 8.804 3.325 -3.811 1.00 72.20 H new ATOM 0 HG12 ILE B 185 7.647 5.277 -4.738 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.187 3.809 -5.577 1.00 53.13 H new ATOM 0 HG21 ILE B 185 7.120 1.647 -4.384 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.640 1.543 -2.685 1.00 64.03 H new ATOM 0 HG23 ILE B 185 6.069 2.273 -3.092 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.263 5.259 -5.231 1.00 52.31 H new ATOM 0 HD12 ILE B 185 5.070 3.739 -4.325 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.537 5.230 -3.473 1.00 52.31 H new ATOM 1054 N GLN B 186 9.314 3.222 -0.586 1.00 51.04 N ATOM 1055 CA GLN B 186 9.703 2.415 0.604 1.00 13.34 C ATOM 1056 C GLN B 186 8.814 2.664 1.822 1.00 43.21 C ATOM 1057 O GLN B 186 8.303 1.718 2.416 1.00 14.42 O ATOM 1058 CB GLN B 186 11.163 2.662 0.994 1.00 3.31 C ATOM 1059 CG GLN B 186 12.165 1.766 0.292 1.00 30.13 C ATOM 1060 CD GLN B 186 12.053 0.297 0.711 1.00 33.34 C ATOM 1061 OE1 GLN B 186 12.338 -0.604 -0.072 1.00 41.14 O ATOM 1062 NE2 GLN B 186 11.667 0.042 1.944 1.00 12.44 N ATOM 0 H GLN B 186 10.102 3.661 -1.062 1.00 51.04 H new ATOM 0 HA GLN B 186 9.570 1.376 0.301 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.412 3.701 0.779 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.266 2.526 2.071 1.00 3.31 H new ATOM 0 HG2 GLN B 186 12.020 1.843 -0.786 1.00 30.13 H new ATOM 0 HG3 GLN B 186 13.173 2.122 0.504 1.00 30.13 H new ATOM 0 HE21 GLN B 186 11.436 0.809 2.575 1.00 12.44 H new ATOM 0 HE22 GLN B 186 11.599 -0.923 2.268 1.00 12.44 H new ATOM 1071 N LYS B 187 8.609 3.926 2.154 1.00 22.52 N ATOM 1072 CA LYS B 187 7.816 4.325 3.311 1.00 74.33 C ATOM 1073 C LYS B 187 6.392 3.820 3.145 1.00 72.42 C ATOM 1074 O LYS B 187 5.835 3.204 4.038 1.00 44.24 O ATOM 1075 CB LYS B 187 7.856 5.861 3.405 1.00 51.52 C ATOM 1076 CG LYS B 187 7.574 6.485 4.786 1.00 61.53 C ATOM 1077 CD LYS B 187 6.119 6.874 5.028 1.00 22.21 C ATOM 1078 CE LYS B 187 5.209 5.748 5.484 1.00 31.44 C ATOM 1079 NZ LYS B 187 3.797 6.189 5.512 1.00 31.33 N1+ ATOM 0 H LYS B 187 8.990 4.712 1.626 1.00 22.52 H new ATOM 0 HA LYS B 187 8.217 3.897 4.230 1.00 74.33 H new ATOM 0 HB2 LYS B 187 8.840 6.195 3.077 1.00 51.52 H new ATOM 0 HB3 LYS B 187 7.131 6.263 2.697 1.00 51.52 H new ATOM 0 HG2 LYS B 187 7.879 5.778 5.557 1.00 61.53 H new ATOM 0 HG3 LYS B 187 8.197 7.372 4.902 1.00 61.53 H new ATOM 0 HD2 LYS B 187 6.092 7.665 5.777 1.00 22.21 H new ATOM 0 HD3 LYS B 187 5.715 7.294 4.107 1.00 22.21 H new ATOM 0 HE2 LYS B 187 5.315 4.895 4.813 1.00 31.44 H new ATOM 0 HE3 LYS B 187 5.509 5.412 6.477 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 3.192 5.398 5.810 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 3.693 6.977 6.183 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 3.513 6.503 4.562 1.00 31.33 H new ATOM 1093 N GLU B 188 5.854 4.010 1.975 1.00 1.40 N ATOM 1094 CA GLU B 188 4.470 3.681 1.698 1.00 41.11 C ATOM 1095 C GLU B 188 4.262 2.166 1.542 1.00 55.30 C ATOM 1096 O GLU B 188 3.200 1.641 1.862 1.00 1.32 O ATOM 1097 CB GLU B 188 4.013 4.463 0.481 1.00 0.21 C ATOM 1098 CG GLU B 188 4.287 5.966 0.616 1.00 71.14 C ATOM 1099 CD GLU B 188 3.492 6.669 1.725 1.00 11.41 C ATOM 1100 OE1 GLU B 188 3.360 6.138 2.860 1.00 31.44 O ATOM 1101 OE2 GLU B 188 3.021 7.784 1.486 1.00 62.41 O1- ATOM 0 H GLU B 188 6.358 4.399 1.178 1.00 1.40 H new ATOM 0 HA GLU B 188 3.852 3.971 2.548 1.00 41.11 H new ATOM 0 HB2 GLU B 188 4.521 4.082 -0.405 1.00 0.21 H new ATOM 0 HB3 GLU B 188 2.946 4.303 0.329 1.00 0.21 H new ATOM 0 HG2 GLU B 188 5.351 6.112 0.803 1.00 71.14 H new ATOM 0 HG3 GLU B 188 4.062 6.449 -0.335 1.00 71.14 H new ATOM 1108 N ALA B 189 5.281 1.471 1.074 1.00 22.15 N ATOM 1109 CA ALA B 189 5.249 0.017 1.009 1.00 34.34 C ATOM 1110 C ALA B 189 5.266 -0.531 2.434 1.00 10.01 C ATOM 1111 O ALA B 189 4.504 -1.430 2.792 1.00 70.11 O ATOM 1112 CB ALA B 189 6.442 -0.509 0.213 1.00 52.44 C ATOM 0 H ALA B 189 6.146 1.889 0.731 1.00 22.15 H new ATOM 0 HA ALA B 189 4.343 -0.312 0.500 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.402 -1.598 0.175 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.408 -0.109 -0.800 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.368 -0.197 0.696 1.00 52.44 H new ATOM 1118 N GLN B 190 6.108 0.072 3.257 1.00 64.45 N ATOM 1119 CA GLN B 190 6.227 -0.279 4.659 1.00 73.23 C ATOM 1120 C GLN B 190 4.987 0.125 5.452 1.00 61.30 C ATOM 1121 O GLN B 190 4.767 -0.397 6.519 1.00 21.21 O ATOM 1122 CB GLN B 190 7.489 0.332 5.269 1.00 2.33 C ATOM 1123 CG GLN B 190 8.781 -0.354 4.849 1.00 20.12 C ATOM 1124 CD GLN B 190 9.024 -1.662 5.566 1.00 2.31 C ATOM 1125 OE1 GLN B 190 8.623 -1.849 6.707 1.00 32.22 O ATOM 1126 NE2 GLN B 190 9.709 -2.564 4.920 1.00 62.14 N ATOM 0 H GLN B 190 6.732 0.825 2.967 1.00 64.45 H new ATOM 0 HA GLN B 190 6.310 -1.364 4.717 1.00 73.23 H new ATOM 0 HB2 GLN B 190 7.542 1.384 4.989 1.00 2.33 H new ATOM 0 HB3 GLN B 190 7.408 0.295 6.355 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.755 -0.536 3.775 1.00 20.12 H new ATOM 0 HG3 GLN B 190 9.619 0.317 5.038 1.00 20.12 H new ATOM 0 HE21 GLN B 190 10.029 -2.378 3.970 1.00 62.14 H new ATOM 0 HE22 GLN B 190 9.925 -3.456 5.365 1.00 62.14 H new ATOM 1135 N GLU B 191 4.205 1.065 4.922 1.00 20.43 N ATOM 1136 CA GLU B 191 2.968 1.542 5.558 1.00 21.04 C ATOM 1137 C GLU B 191 1.991 0.387 5.809 1.00 11.53 C ATOM 1138 O GLU B 191 1.712 0.047 6.948 1.00 43.14 O ATOM 1139 CB GLU B 191 2.306 2.608 4.652 1.00 13.23 C ATOM 1140 CG GLU B 191 0.928 3.117 5.090 1.00 73.14 C ATOM 1141 CD GLU B 191 0.955 3.904 6.366 1.00 25.30 C ATOM 1142 OE1 GLU B 191 1.318 5.105 6.329 1.00 63.00 O ATOM 1143 OE2 GLU B 191 0.603 3.362 7.428 1.00 14.54 O1- ATOM 0 H GLU B 191 4.410 1.523 4.034 1.00 20.43 H new ATOM 0 HA GLU B 191 3.221 1.981 6.523 1.00 21.04 H new ATOM 0 HB2 GLU B 191 2.979 3.462 4.583 1.00 13.23 H new ATOM 0 HB3 GLU B 191 2.213 2.193 3.648 1.00 13.23 H new ATOM 0 HG2 GLU B 191 0.512 3.740 4.298 1.00 73.14 H new ATOM 0 HG3 GLU B 191 0.258 2.266 5.212 1.00 73.14 H new ATOM 1150 N ALA B 192 1.555 -0.267 4.749 1.00 12.05 N ATOM 1151 CA ALA B 192 0.563 -1.339 4.878 1.00 52.44 C ATOM 1152 C ALA B 192 1.193 -2.584 5.466 1.00 63.31 C ATOM 1153 O ALA B 192 0.519 -3.375 6.117 1.00 62.12 O ATOM 1154 CB ALA B 192 -0.082 -1.644 3.532 1.00 12.11 C ATOM 0 H ALA B 192 1.863 -0.084 3.794 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.218 -0.999 5.558 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.814 -2.442 3.652 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.578 -0.750 3.155 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.685 -1.959 2.824 1.00 12.11 H new ATOM 1160 N LEU B 193 2.496 -2.711 5.258 1.00 21.32 N ATOM 1161 CA LEU B 193 3.298 -3.818 5.744 1.00 65.15 C ATOM 1162 C LEU B 193 3.170 -3.891 7.243 1.00 0.51 C ATOM 1163 O LEU B 193 2.764 -4.900 7.823 1.00 31.01 O ATOM 1164 CB LEU B 193 4.748 -3.506 5.387 1.00 24.10 C ATOM 1165 CG LEU B 193 5.796 -4.579 5.638 1.00 35.55 C ATOM 1166 CD1 LEU B 193 6.831 -4.554 4.523 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.485 -4.276 6.947 1.00 3.03 C ATOM 0 H LEU B 193 3.037 -2.025 4.731 1.00 21.32 H new ATOM 0 HA LEU B 193 2.977 -4.763 5.306 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.782 -3.248 4.329 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.043 -2.616 5.942 1.00 24.10 H new ATOM 0 HG LEU B 193 5.321 -5.559 5.671 1.00 35.55 H new ATOM 0 HD11 LEU B 193 7.581 -5.324 4.705 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.341 -4.743 3.568 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.313 -3.577 4.496 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.241 -5.036 7.145 1.00 3.03 H new ATOM 0 HD22 LEU B 193 6.961 -3.297 6.890 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.751 -4.276 7.753 1.00 3.03 H new ATOM 1179 N GLU B 194 3.514 -2.793 7.826 1.00 32.42 N ATOM 1180 CA GLU B 194 3.510 -2.533 9.152 1.00 1.13 C ATOM 1181 C GLU B 194 2.163 -2.757 9.772 1.00 25.31 C ATOM 1182 O GLU B 194 1.991 -3.596 10.653 1.00 45.10 O ATOM 1183 CB GLU B 194 3.836 -1.089 9.182 1.00 42.50 C ATOM 1184 CG GLU B 194 3.729 -0.528 10.503 1.00 61.52 C ATOM 1185 CD GLU B 194 4.324 0.841 10.631 1.00 43.35 C ATOM 1186 OE1 GLU B 194 5.572 0.947 10.813 1.00 14.30 O1- ATOM 1187 OE2 GLU B 194 3.587 1.831 10.539 1.00 73.13 O ATOM 0 H GLU B 194 3.835 -1.990 7.286 1.00 32.42 H new ATOM 0 HA GLU B 194 4.194 -3.175 9.707 1.00 1.13 H new ATOM 0 HB2 GLU B 194 4.849 -0.941 8.809 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.166 -0.554 8.508 1.00 42.50 H new ATOM 0 HG2 GLU B 194 2.677 -0.484 10.784 1.00 61.52 H new ATOM 0 HG3 GLU B 194 4.221 -1.195 11.211 1.00 61.52 H new ATOM 1194 N LYS B 195 1.241 -2.013 9.267 1.00 35.45 N ATOM 1195 CA LYS B 195 -0.083 -1.936 9.730 1.00 0.22 C ATOM 1196 C LYS B 195 -0.821 -3.282 9.734 1.00 34.32 C ATOM 1197 O LYS B 195 -1.713 -3.491 10.562 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.803 -0.909 8.889 1.00 52.22 C ATOM 1199 CG LYS B 195 -0.339 0.538 9.076 1.00 23.11 C ATOM 1200 CD LYS B 195 -0.670 1.068 10.459 1.00 42.32 C ATOM 1201 CE LYS B 195 -0.184 2.495 10.654 1.00 61.10 C ATOM 1202 NZ LYS B 195 -0.784 3.436 9.682 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.414 -1.405 8.466 1.00 35.45 H new ATOM 0 HA LYS B 195 -0.065 -1.638 10.778 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.685 -1.177 7.839 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -1.868 -0.963 9.114 1.00 52.22 H new ATOM 0 HG2 LYS B 195 0.737 0.597 8.913 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -0.811 1.170 8.323 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -1.748 1.028 10.614 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -0.216 0.424 11.212 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -0.423 2.822 11.666 1.00 61.10 H new ATOM 0 HE3 LYS B 195 0.901 2.522 10.558 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 -0.812 4.390 10.095 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 -0.211 3.451 8.814 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 -1.751 3.129 9.453 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.473 -4.180 8.827 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.105 -5.427 8.762 1.00 65.11 C ATOM 1218 C LEU B 196 -0.554 -6.382 9.803 1.00 32.01 C ATOM 1219 O LEU B 196 -1.294 -7.176 10.380 1.00 22.43 O ATOM 1220 CB LEU B 196 -0.935 -5.985 7.355 1.00 75.42 C ATOM 1221 CG LEU B 196 0.331 -6.760 6.976 1.00 24.30 C ATOM 1222 CD1 LEU B 196 0.181 -8.243 7.331 1.00 63.01 C ATOM 1223 CD2 LEU B 196 0.605 -6.591 5.505 1.00 63.35 C ATOM 0 H LEU B 196 0.258 -4.037 8.130 1.00 42.45 H new ATOM 0 HA LEU B 196 -2.166 -5.307 8.980 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -1.784 -6.641 7.164 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.019 -5.147 6.664 1.00 75.42 H new ATOM 0 HG LEU B 196 1.174 -6.363 7.541 1.00 24.30 H new ATOM 0 HD11 LEU B 196 1.090 -8.777 7.054 1.00 63.01 H new ATOM 0 HD12 LEU B 196 0.012 -8.345 8.403 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -0.666 -8.663 6.788 1.00 63.01 H new ATOM 0 HD21 LEU B 196 1.506 -7.143 5.237 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -0.239 -6.974 4.931 1.00 63.35 H new ATOM 0 HD23 LEU B 196 0.747 -5.534 5.280 1.00 63.35 H new ATOM 1235 N GLN B 197 0.740 -6.316 10.009 1.00 54.12 N ATOM 1236 CA GLN B 197 1.429 -7.225 10.898 1.00 1.52 C ATOM 1237 C GLN B 197 0.973 -7.066 12.333 1.00 14.31 C ATOM 1238 O GLN B 197 0.847 -5.949 12.832 1.00 23.34 O ATOM 1239 CB GLN B 197 2.950 -7.069 10.797 1.00 12.04 C ATOM 1240 CG GLN B 197 3.542 -7.562 9.482 1.00 14.33 C ATOM 1241 CD GLN B 197 5.058 -7.409 9.404 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.741 -8.213 8.766 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.594 -6.368 10.000 1.00 34.25 N ATOM 0 H GLN B 197 1.348 -5.628 9.564 1.00 54.12 H new ATOM 0 HA GLN B 197 1.169 -8.233 10.576 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.206 -6.017 10.926 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.415 -7.613 11.619 1.00 12.04 H new ATOM 0 HG2 GLN B 197 3.283 -8.612 9.347 1.00 14.33 H new ATOM 0 HG3 GLN B 197 3.086 -7.013 8.658 1.00 14.33 H new ATOM 0 HE21 GLN B 197 5.004 -5.719 10.521 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.600 -6.209 9.942 1.00 34.25 H new ATOM 1252 N SER B 198 0.683 -8.176 12.982 1.00 33.54 N ATOM 1253 CA SER B 198 0.310 -8.142 14.367 1.00 12.43 C ATOM 1254 C SER B 198 1.583 -7.962 15.170 1.00 1.54 C ATOM 1255 O SER B 198 2.563 -8.689 14.970 1.00 24.20 O ATOM 1256 CB SER B 198 -0.397 -9.445 14.752 1.00 25.00 C ATOM 1257 OG SER B 198 -1.532 -9.669 13.925 1.00 4.45 O ATOM 0 H SER B 198 0.701 -9.107 12.566 1.00 33.54 H new ATOM 0 HA SER B 198 -0.381 -7.323 14.567 1.00 12.43 H new ATOM 0 HB2 SER B 198 0.296 -10.281 14.659 1.00 25.00 H new ATOM 0 HB3 SER B 198 -0.706 -9.401 15.796 1.00 25.00 H new ATOM 0 HG SER B 198 -1.967 -10.507 14.187 1.00 4.45 H new ATOM 1263 N HIS B 199 1.587 -7.022 16.045 1.00 64.41 N ATOM 1264 CA HIS B 199 2.780 -6.701 16.785 1.00 72.30 C ATOM 1265 C HIS B 199 2.656 -7.209 18.199 1.00 63.44 C ATOM 1266 O HIS B 199 2.125 -6.484 19.051 1.00 64.51 O ATOM 1267 CB HIS B 199 3.034 -5.185 16.773 1.00 55.12 C ATOM 1268 CG HIS B 199 3.188 -4.586 15.402 1.00 44.44 C ATOM 1269 ND1 HIS B 199 2.207 -3.842 14.804 1.00 1.01 N ATOM 1270 CD2 HIS B 199 4.221 -4.603 14.528 1.00 11.40 C ATOM 1271 CE1 HIS B 199 2.615 -3.423 13.633 1.00 1.32 C ATOM 1272 NE2 HIS B 199 3.836 -3.869 13.435 1.00 12.31 N ATOM 0 H HIS B 199 0.775 -6.450 16.276 1.00 64.41 H new ATOM 0 HA HIS B 199 3.631 -7.188 16.310 1.00 72.30 H new ATOM 0 HB2 HIS B 199 2.208 -4.688 17.282 1.00 55.12 H new ATOM 0 HB3 HIS B 199 3.935 -4.976 17.349 1.00 55.12 H new ATOM 0 HD2 HIS B 199 5.170 -5.101 14.665 1.00 11.40 H new ATOM 0 HE1 HIS B 199 2.046 -2.814 12.946 1.00 1.32 H new ATOM 0 HE2 HIS B 199 4.404 -3.697 12.605 1.00 12.31 H new