USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 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 145 GLN : amide:sc= 1.08 K(o=0.57,f=-13!) USER MOD Set 1.2: B 184 LYS NZ :NH3+ -139:sc= -0.506 (180deg=-3.8!) USER MOD Single : B 134 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.62) USER MOD Single : B 137 SER OG : rot -21:sc= -3.65! USER MOD Single : B 138 SER OG : rot -109:sc= -1.84! USER MOD Single : B 140 ASN :FLIP amide:sc= -10.3! C(o=-16!,f=-10!) USER MOD Single : B 142 GLN : amide:sc= -0.0973 K(o=-0.097,f=-3.4!) USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD Single : B 153 ASN : amide:sc= 1.22 K(o=1.2,f=-0.066) 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) USER MOD Single : B 161 GLN : amide:sc= -0.612 K(o=-0.61,f=-3.1) USER MOD Single : B 162 LYS NZ :NH3+ -113:sc= 1.16 (180deg=-0.153) USER MOD Single : B 163 GLN : amide:sc= 0.159 K(o=0.16,f=-2.8!) USER MOD Single : B 166 LYS NZ :NH3+ -156:sc= -0.0684 (180deg=-0.519) USER MOD Single : B 173 LYS NZ :NH3+ 135:sc= 1.25 (180deg=-0.285) USER MOD Single : B 176 GLN :FLIP amide:sc= -0.0494 F(o=-1.1!,f=-0.049) USER MOD Single : B 178 GLN : amide:sc= -0.702 K(o=-0.7,f=-1.5) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS : no HE2:sc= 0.575 K(o=0.57,f=-4.3!) USER MOD Single : B 182 ASN : amide:sc= -0.414 K(o=-0.41,f=-7.6!) USER MOD Single : B 186 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.62) USER MOD Single : B 187 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0508) USER MOD Single : B 190 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : B 195 LYS NZ :NH3+ -165:sc= 2.04 (180deg=1.59) USER MOD Single : B 197 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.070 -1.764 1.038 1.00 55.53 N ATOM 177 CA LEU B 129 -12.925 -3.001 0.235 1.00 45.21 C ATOM 178 C LEU B 129 -11.473 -3.135 -0.312 1.00 33.52 C ATOM 179 O LEU B 129 -10.623 -2.307 0.018 1.00 22.43 O ATOM 180 CB LEU B 129 -13.981 -3.006 -0.904 1.00 71.14 C ATOM 181 CG LEU B 129 -15.452 -3.026 -0.485 1.00 72.10 C ATOM 182 CD1 LEU B 129 -16.333 -3.028 -1.717 1.00 71.02 C ATOM 183 CD2 LEU B 129 -15.757 -4.241 0.386 1.00 45.41 C ATOM 0 HA LEU B 129 -13.105 -3.870 0.868 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -13.817 -2.124 -1.523 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -13.796 -3.876 -1.534 1.00 71.14 H new ATOM 0 HG LEU B 129 -15.657 -2.132 0.104 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -17.380 -3.042 -1.415 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -16.137 -2.132 -2.306 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -16.116 -3.911 -2.318 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -16.809 -4.230 0.670 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -15.541 -5.152 -0.172 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -15.139 -4.210 1.283 1.00 45.41 H new ATOM 195 N PRO B 130 -11.124 -4.194 -1.128 1.00 0.32 N ATOM 196 CA PRO B 130 -9.789 -4.304 -1.751 1.00 63.11 C ATOM 197 C PRO B 130 -9.375 -3.069 -2.529 1.00 21.50 C ATOM 198 O PRO B 130 -8.206 -2.879 -2.782 1.00 1.14 O ATOM 199 CB PRO B 130 -9.935 -5.477 -2.699 1.00 74.52 C ATOM 200 CG PRO B 130 -10.929 -6.346 -2.033 1.00 3.43 C ATOM 201 CD PRO B 130 -11.939 -5.406 -1.448 1.00 14.32 C ATOM 0 HA PRO B 130 -9.018 -4.425 -0.991 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.279 -5.156 -3.682 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -8.986 -5.993 -2.846 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -11.393 -7.031 -2.743 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.464 -6.956 -1.259 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.737 -5.180 -2.155 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.410 -5.822 -0.558 1.00 14.32 H new ATOM 209 N ALA B 131 -10.325 -2.222 -2.884 1.00 12.31 N ATOM 210 CA ALA B 131 -10.025 -1.002 -3.608 1.00 41.31 C ATOM 211 C ALA B 131 -9.065 -0.099 -2.825 1.00 3.12 C ATOM 212 O ALA B 131 -8.340 0.693 -3.421 1.00 52.45 O ATOM 213 CB ALA B 131 -11.291 -0.252 -3.984 1.00 12.14 C ATOM 0 H ALA B 131 -11.315 -2.359 -2.681 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.524 -1.294 -4.531 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.028 0.657 -4.525 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -11.914 -0.884 -4.617 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -11.841 0.010 -3.080 1.00 12.14 H new ATOM 219 N LEU B 132 -9.039 -0.239 -1.499 1.00 31.23 N ATOM 220 CA LEU B 132 -8.114 0.536 -0.696 1.00 71.30 C ATOM 221 C LEU B 132 -6.682 -0.001 -0.860 1.00 32.55 C ATOM 222 O LEU B 132 -5.717 0.739 -0.780 1.00 34.51 O ATOM 223 CB LEU B 132 -8.575 0.610 0.809 1.00 34.00 C ATOM 224 CG LEU B 132 -8.645 -0.705 1.646 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.274 -1.176 2.137 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.608 -0.551 2.811 1.00 65.03 C ATOM 0 H LEU B 132 -9.640 -0.873 -0.972 1.00 31.23 H new ATOM 0 HA LEU B 132 -8.114 1.564 -1.058 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.901 1.293 1.326 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.566 1.064 0.827 1.00 34.00 H new ATOM 0 HG LEU B 132 -9.018 -1.479 0.976 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.389 -2.094 2.713 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.626 -1.363 1.281 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.829 -0.406 2.768 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.641 -1.480 3.381 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -9.271 0.259 3.457 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.604 -0.322 2.432 1.00 65.03 H new ATOM 238 N VAL B 133 -6.569 -1.302 -1.072 1.00 20.30 N ATOM 239 CA VAL B 133 -5.275 -1.936 -1.227 1.00 2.44 C ATOM 240 C VAL B 133 -4.767 -1.870 -2.649 1.00 41.43 C ATOM 241 O VAL B 133 -3.590 -1.753 -2.876 1.00 11.14 O ATOM 242 CB VAL B 133 -5.285 -3.406 -0.733 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.788 -4.375 -1.728 1.00 1.21 C ATOM 244 CG2 VAL B 133 -3.972 -3.851 -0.212 1.00 60.04 C ATOM 0 H VAL B 133 -7.362 -1.940 -1.140 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.589 -1.367 -0.599 1.00 2.44 H new ATOM 0 HB VAL B 133 -5.997 -3.395 0.092 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.762 -5.379 -1.304 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.813 -4.121 -1.997 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.160 -4.341 -2.618 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.044 -4.887 0.118 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.222 -3.772 -0.999 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -3.682 -3.222 0.629 1.00 60.04 H new ATOM 254 N GLN B 134 -5.691 -1.930 -3.591 1.00 51.03 N ATOM 255 CA GLN B 134 -5.382 -2.119 -5.019 1.00 1.43 C ATOM 256 C GLN B 134 -4.314 -1.189 -5.602 1.00 10.22 C ATOM 257 O GLN B 134 -3.559 -1.579 -6.504 1.00 3.33 O ATOM 258 CB GLN B 134 -6.619 -2.097 -5.909 1.00 62.21 C ATOM 259 CG GLN B 134 -7.551 -3.274 -5.727 1.00 72.32 C ATOM 260 CD GLN B 134 -6.875 -4.615 -5.947 1.00 12.24 C ATOM 261 OE1 GLN B 134 -5.911 -4.740 -6.710 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.381 -5.626 -5.306 1.00 42.35 N ATOM 0 H GLN B 134 -6.689 -1.849 -3.397 1.00 51.03 H new ATOM 0 HA GLN B 134 -4.950 -3.120 -5.025 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.173 -1.179 -5.714 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.300 -2.062 -6.951 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -7.968 -3.246 -4.720 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.386 -3.178 -6.421 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.177 -5.488 -4.683 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -6.982 -6.557 -5.425 1.00 42.35 H new ATOM 271 N LEU B 135 -4.232 0.003 -5.080 1.00 31.00 N ATOM 272 CA LEU B 135 -3.277 0.994 -5.563 1.00 53.40 C ATOM 273 C LEU B 135 -1.851 0.647 -5.164 1.00 44.52 C ATOM 274 O LEU B 135 -0.913 1.207 -5.688 1.00 61.22 O ATOM 275 CB LEU B 135 -3.630 2.436 -5.139 1.00 12.34 C ATOM 276 CG LEU B 135 -3.974 2.663 -3.663 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.661 4.102 -3.274 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.462 2.407 -3.439 1.00 52.53 C ATOM 0 H LEU B 135 -4.818 0.326 -4.310 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.345 0.961 -6.650 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.788 3.080 -5.393 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.477 2.768 -5.739 1.00 12.34 H new ATOM 0 HG LEU B 135 -3.382 1.980 -3.054 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -3.908 4.257 -2.224 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.600 4.299 -3.430 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.251 4.782 -3.889 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -5.705 2.569 -2.389 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.046 3.090 -4.056 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -5.699 1.379 -3.712 1.00 52.53 H new ATOM 290 N LEU B 136 -1.704 -0.291 -4.255 1.00 21.22 N ATOM 291 CA LEU B 136 -0.405 -0.757 -3.816 1.00 44.41 C ATOM 292 C LEU B 136 0.253 -1.530 -4.941 1.00 40.11 C ATOM 293 O LEU B 136 1.435 -1.445 -5.151 1.00 61.31 O ATOM 294 CB LEU B 136 -0.595 -1.683 -2.631 1.00 1.14 C ATOM 295 CG LEU B 136 0.169 -1.349 -1.341 1.00 52.41 C ATOM 296 CD1 LEU B 136 -0.207 -2.321 -0.236 1.00 41.23 C ATOM 297 CD2 LEU B 136 1.671 -1.373 -1.571 1.00 34.05 C ATOM 0 H LEU B 136 -2.487 -0.756 -3.796 1.00 21.22 H new ATOM 0 HA LEU B 136 0.219 0.091 -3.536 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.659 -1.712 -2.394 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.309 -2.688 -2.940 1.00 1.14 H new ATOM 0 HG LEU B 136 -0.112 -0.341 -1.037 1.00 52.41 H new ATOM 0 HD11 LEU B 136 0.343 -2.071 0.671 1.00 41.23 H new ATOM 0 HD12 LEU B 136 -1.277 -2.254 -0.042 1.00 41.23 H new ATOM 0 HD13 LEU B 136 0.043 -3.336 -0.544 1.00 41.23 H new ATOM 0 HD21 LEU B 136 2.185 -1.133 -0.641 1.00 34.05 H new ATOM 0 HD22 LEU B 136 1.972 -2.366 -1.906 1.00 34.05 H new ATOM 0 HD23 LEU B 136 1.934 -0.638 -2.331 1.00 34.05 H new ATOM 309 N SER B 137 -0.543 -2.250 -5.692 1.00 11.45 N ATOM 310 CA SER B 137 -0.012 -3.047 -6.757 1.00 2.00 C ATOM 311 C SER B 137 0.023 -2.301 -8.085 1.00 23.45 C ATOM 312 O SER B 137 0.184 -2.917 -9.151 1.00 1.12 O ATOM 313 CB SER B 137 -0.776 -4.350 -6.893 1.00 70.13 C ATOM 314 OG SER B 137 -0.544 -5.150 -5.777 1.00 44.15 O ATOM 0 H SER B 137 -1.556 -2.297 -5.582 1.00 11.45 H new ATOM 0 HA SER B 137 1.021 -3.274 -6.493 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.843 -4.148 -6.992 1.00 70.13 H new ATOM 0 HB3 SER B 137 -0.465 -4.872 -7.798 1.00 70.13 H new ATOM 0 HG SER B 137 0.285 -4.866 -5.338 1.00 44.15 H new ATOM 320 N SER B 138 -0.092 -0.999 -8.025 1.00 30.13 N ATOM 321 CA SER B 138 -0.084 -0.188 -9.165 1.00 70.24 C ATOM 322 C SER B 138 1.318 -0.253 -9.860 1.00 64.22 C ATOM 323 O SER B 138 2.338 -0.421 -9.194 1.00 31.04 O ATOM 324 CB SER B 138 -0.389 1.228 -8.681 1.00 65.30 C ATOM 325 OG SER B 138 0.629 1.698 -7.851 1.00 2.10 O ATOM 0 H SER B 138 -0.195 -0.483 -7.151 1.00 30.13 H new ATOM 0 HA SER B 138 -0.820 -0.515 -9.899 1.00 70.24 H new ATOM 0 HB2 SER B 138 -0.503 1.893 -9.537 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.337 1.237 -8.142 1.00 65.30 H new ATOM 0 HG SER B 138 0.302 1.747 -6.928 1.00 2.10 H new ATOM 331 N PRO B 139 1.372 -0.174 -11.211 1.00 3.54 N ATOM 332 CA PRO B 139 2.661 -0.087 -11.968 1.00 24.41 C ATOM 333 C PRO B 139 3.216 1.333 -11.790 1.00 3.55 C ATOM 334 O PRO B 139 4.416 1.607 -11.793 1.00 33.11 O ATOM 335 CB PRO B 139 2.177 -0.191 -13.438 1.00 51.14 C ATOM 336 CG PRO B 139 0.812 0.388 -13.346 1.00 12.24 C ATOM 337 CD PRO B 139 0.218 -0.204 -12.125 1.00 64.24 C ATOM 0 HA PRO B 139 3.407 -0.823 -11.668 1.00 24.41 H new ATOM 0 HB2 PRO B 139 2.815 0.371 -14.120 1.00 51.14 H new ATOM 0 HB3 PRO B 139 2.162 -1.222 -13.792 1.00 51.14 H new ATOM 0 HG2 PRO B 139 0.850 1.475 -13.278 1.00 12.24 H new ATOM 0 HG3 PRO B 139 0.221 0.144 -14.229 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -0.622 0.381 -11.749 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.149 -1.216 -12.294 1.00 64.24 H new ATOM 345 N ASN B 140 2.263 2.200 -11.648 1.00 23.02 N ATOM 346 CA ASN B 140 2.349 3.553 -11.569 1.00 20.23 C ATOM 347 C ASN B 140 2.504 3.972 -10.143 1.00 43.12 C ATOM 348 O ASN B 140 1.536 4.266 -9.450 1.00 34.53 O ATOM 349 CB ASN B 140 1.100 4.159 -12.295 1.00 62.14 C ATOM 350 CG ASN B 140 -0.188 3.343 -12.232 1.00 24.03 C ATOM 351 OD1 ASN B 140 -0.424 2.734 -11.177 1.00 54.34 O flip ATOM 352 ND2 ASN B 140 -0.980 3.329 -13.171 1.00 42.30 N flip ATOM 0 H ASN B 140 1.293 1.891 -11.580 1.00 23.02 H new ATOM 0 HA ASN B 140 3.234 3.938 -12.075 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.902 5.142 -11.869 1.00 62.14 H new ATOM 0 HB3 ASN B 140 1.356 4.312 -13.343 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -0.764 3.838 -14.028 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -1.854 2.809 -13.093 1.00 42.30 H new ATOM 359 N GLU B 141 3.744 3.909 -9.704 1.00 73.15 N ATOM 360 CA GLU B 141 4.169 4.260 -8.357 1.00 45.35 C ATOM 361 C GLU B 141 3.848 5.702 -8.068 1.00 73.44 C ATOM 362 O GLU B 141 3.600 6.087 -6.937 1.00 64.43 O ATOM 363 CB GLU B 141 5.670 4.042 -8.233 1.00 72.42 C ATOM 364 CG GLU B 141 6.099 2.594 -8.290 1.00 31.50 C ATOM 365 CD GLU B 141 7.594 2.438 -8.382 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.310 2.672 -7.404 1.00 2.24 O1- ATOM 367 OE2 GLU B 141 8.084 2.090 -9.457 1.00 72.31 O ATOM 0 H GLU B 141 4.516 3.601 -10.295 1.00 73.15 H new ATOM 0 HA GLU B 141 3.641 3.630 -7.641 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.171 4.588 -9.032 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.010 4.472 -7.291 1.00 72.42 H new ATOM 0 HG2 GLU B 141 5.737 2.076 -7.402 1.00 31.50 H new ATOM 0 HG3 GLU B 141 5.633 2.114 -9.151 1.00 31.50 H new ATOM 374 N GLN B 142 3.846 6.486 -9.105 1.00 51.13 N ATOM 375 CA GLN B 142 3.545 7.896 -8.998 1.00 31.54 C ATOM 376 C GLN B 142 2.078 8.065 -8.644 1.00 51.24 C ATOM 377 O GLN B 142 1.753 8.745 -7.678 1.00 5.41 O ATOM 378 CB GLN B 142 3.799 8.590 -10.330 1.00 3.13 C ATOM 379 CG GLN B 142 5.153 8.309 -10.970 1.00 43.42 C ATOM 380 CD GLN B 142 6.343 8.937 -10.277 1.00 72.43 C ATOM 381 OE1 GLN B 142 6.355 9.155 -9.062 1.00 44.11 O ATOM 382 NE2 GLN B 142 7.362 9.216 -11.052 1.00 63.34 N ATOM 0 H GLN B 142 4.052 6.172 -10.053 1.00 51.13 H new ATOM 0 HA GLN B 142 4.181 8.335 -8.229 1.00 31.54 H new ATOM 0 HB2 GLN B 142 3.018 8.292 -11.029 1.00 3.13 H new ATOM 0 HB3 GLN B 142 3.703 9.666 -10.183 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.302 7.230 -11.004 1.00 43.42 H new ATOM 0 HG3 GLN B 142 5.128 8.660 -12.001 1.00 43.42 H new ATOM 0 HE21 GLN B 142 7.311 9.020 -12.052 1.00 63.34 H new ATOM 0 HE22 GLN B 142 8.206 9.629 -10.656 1.00 63.34 H new ATOM 391 N ILE B 143 1.181 7.417 -9.408 1.00 34.31 N ATOM 392 CA ILE B 143 -0.240 7.595 -9.131 1.00 21.53 C ATOM 393 C ILE B 143 -0.614 6.908 -7.838 1.00 1.45 C ATOM 394 O ILE B 143 -1.579 7.307 -7.169 1.00 53.35 O ATOM 395 CB ILE B 143 -1.147 7.175 -10.320 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.114 5.733 -10.570 1.00 73.10 C ATOM 397 CG2 ILE B 143 -0.640 7.808 -11.575 1.00 44.30 C ATOM 398 CD1 ILE B 143 -1.981 4.817 -9.772 1.00 51.44 C ATOM 0 H ILE B 143 1.406 6.795 -10.185 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.420 8.663 -9.005 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.158 7.486 -10.058 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.362 5.580 -11.620 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.084 5.404 -10.434 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.274 7.515 -12.412 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -0.657 8.893 -11.468 1.00 44.30 H new ATOM 0 HG23 ILE B 143 0.382 7.478 -11.762 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.821 3.789 -10.097 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.729 4.906 -8.715 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.027 5.086 -9.920 1.00 51.44 H new ATOM 410 N LEU B 144 0.152 5.841 -7.507 1.00 55.31 N ATOM 411 CA LEU B 144 0.033 5.177 -6.215 1.00 51.23 C ATOM 412 C LEU B 144 0.121 6.259 -5.140 1.00 35.13 C ATOM 413 O LEU B 144 -0.784 6.423 -4.346 1.00 44.33 O ATOM 414 CB LEU B 144 1.191 4.147 -6.039 1.00 3.21 C ATOM 415 CG LEU B 144 1.223 3.276 -4.744 1.00 52.24 C ATOM 416 CD1 LEU B 144 2.115 2.082 -4.955 1.00 13.41 C ATOM 417 CD2 LEU B 144 1.762 4.046 -3.554 1.00 24.12 C ATOM 0 H LEU B 144 0.853 5.433 -8.125 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.911 4.638 -6.140 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.165 3.470 -6.893 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.132 4.694 -6.094 1.00 3.21 H new ATOM 0 HG LEU B 144 0.196 2.974 -4.539 1.00 52.24 H new ATOM 0 HD11 LEU B 144 2.134 1.477 -4.048 1.00 13.41 H new ATOM 0 HD12 LEU B 144 1.733 1.484 -5.782 1.00 13.41 H new ATOM 0 HD13 LEU B 144 3.125 2.419 -5.188 1.00 13.41 H new ATOM 0 HD21 LEU B 144 1.766 3.401 -2.675 1.00 24.12 H new ATOM 0 HD22 LEU B 144 2.778 4.378 -3.766 1.00 24.12 H new ATOM 0 HD23 LEU B 144 1.129 4.913 -3.365 1.00 24.12 H new ATOM 429 N GLN B 145 1.216 7.025 -5.197 1.00 62.02 N ATOM 430 CA GLN B 145 1.509 8.112 -4.278 1.00 14.14 C ATOM 431 C GLN B 145 0.458 9.209 -4.287 1.00 53.32 C ATOM 432 O GLN B 145 0.135 9.775 -3.228 1.00 13.44 O ATOM 433 CB GLN B 145 2.873 8.690 -4.596 1.00 31.14 C ATOM 434 CG GLN B 145 3.967 7.705 -4.336 1.00 35.44 C ATOM 435 CD GLN B 145 5.345 8.258 -4.540 1.00 5.04 C ATOM 436 OE1 GLN B 145 5.947 8.817 -3.620 1.00 4.41 O ATOM 437 NE2 GLN B 145 5.874 8.083 -5.717 1.00 60.40 N ATOM 0 H GLN B 145 1.938 6.896 -5.906 1.00 62.02 H new ATOM 0 HA GLN B 145 1.501 7.691 -3.273 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.902 8.999 -5.641 1.00 31.14 H new ATOM 0 HB3 GLN B 145 3.038 9.584 -3.995 1.00 31.14 H new ATOM 0 HG2 GLN B 145 3.880 7.342 -3.312 1.00 35.44 H new ATOM 0 HG3 GLN B 145 3.831 6.845 -4.991 1.00 35.44 H new ATOM 0 HE21 GLN B 145 5.342 7.615 -6.451 1.00 60.40 H new ATOM 0 HE22 GLN B 145 6.821 8.413 -5.905 1.00 60.40 H new ATOM 446 N GLU B 146 -0.047 9.514 -5.458 1.00 55.14 N ATOM 447 CA GLU B 146 -1.090 10.538 -5.627 1.00 32.43 C ATOM 448 C GLU B 146 -2.355 10.180 -4.848 1.00 61.02 C ATOM 449 O GLU B 146 -2.812 10.946 -3.987 1.00 62.21 O ATOM 450 CB GLU B 146 -1.477 10.716 -7.094 1.00 61.15 C ATOM 451 CG GLU B 146 -0.363 11.140 -8.022 1.00 73.43 C ATOM 452 CD GLU B 146 -0.868 11.340 -9.430 1.00 74.32 C ATOM 453 OE1 GLU B 146 -1.522 10.439 -9.973 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 -0.663 12.434 -9.996 1.00 3.34 O ATOM 0 H GLU B 146 0.242 9.069 -6.329 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.665 11.466 -5.244 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.889 9.775 -7.458 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -2.274 11.457 -7.152 1.00 61.15 H new ATOM 0 HG2 GLU B 146 0.083 12.066 -7.659 1.00 73.43 H new ATOM 0 HG3 GLU B 146 0.423 10.385 -8.019 1.00 73.43 H new ATOM 461 N ALA B 147 -2.894 9.007 -5.132 1.00 15.44 N ATOM 462 CA ALA B 147 -4.151 8.565 -4.530 1.00 72.45 C ATOM 463 C ALA B 147 -3.947 8.114 -3.096 1.00 11.52 C ATOM 464 O ALA B 147 -4.875 8.126 -2.288 1.00 71.22 O ATOM 465 CB ALA B 147 -4.776 7.456 -5.362 1.00 4.23 C ATOM 0 H ALA B 147 -2.481 8.336 -5.780 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.835 9.414 -4.514 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.711 7.138 -4.901 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.975 7.824 -6.368 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -4.091 6.610 -5.414 1.00 4.23 H new ATOM 471 N LEU B 148 -2.712 7.764 -2.783 1.00 50.13 N ATOM 472 CA LEU B 148 -2.299 7.295 -1.458 1.00 10.21 C ATOM 473 C LEU B 148 -2.708 8.291 -0.416 1.00 72.25 C ATOM 474 O LEU B 148 -3.127 7.926 0.646 1.00 11.01 O ATOM 475 CB LEU B 148 -0.775 7.137 -1.462 1.00 24.22 C ATOM 476 CG LEU B 148 -0.056 6.580 -0.219 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.278 6.020 -0.646 1.00 75.04 C ATOM 478 CD2 LEU B 148 0.204 7.679 0.809 1.00 53.12 C ATOM 0 H LEU B 148 -1.945 7.796 -3.454 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.775 6.341 -1.229 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.518 6.491 -2.302 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.348 8.118 -1.672 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.689 5.815 0.230 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.800 5.621 0.224 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.122 5.223 -1.373 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.877 6.811 -1.098 1.00 75.04 H new ATOM 0 HD21 LEU B 148 0.713 7.255 1.675 1.00 53.12 H new ATOM 0 HD22 LEU B 148 0.830 8.453 0.364 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -0.744 8.115 1.123 1.00 53.12 H new ATOM 490 N TRP B 149 -2.594 9.539 -0.759 1.00 72.11 N ATOM 491 CA TRP B 149 -2.934 10.633 0.142 1.00 73.33 C ATOM 492 C TRP B 149 -4.359 10.474 0.707 1.00 33.51 C ATOM 493 O TRP B 149 -4.605 10.709 1.894 1.00 12.44 O ATOM 494 CB TRP B 149 -2.831 11.958 -0.583 1.00 5.20 C ATOM 495 CG TRP B 149 -2.914 13.130 0.363 1.00 21.45 C ATOM 496 CD1 TRP B 149 -1.948 13.554 1.230 1.00 14.14 C ATOM 497 CD2 TRP B 149 -4.034 14.010 0.554 1.00 64.10 C ATOM 498 NE1 TRP B 149 -2.398 14.633 1.945 1.00 44.31 N ATOM 499 CE2 TRP B 149 -3.673 14.932 1.551 1.00 41.22 C ATOM 500 CE3 TRP B 149 -5.302 14.104 -0.019 1.00 50.34 C ATOM 501 CZ2 TRP B 149 -4.536 15.934 1.989 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -6.154 15.100 0.416 1.00 0.00 C ATOM 503 CH2 TRP B 149 -5.768 16.001 1.410 1.00 21.30 C ATOM 0 H TRP B 149 -2.262 9.843 -1.674 1.00 72.11 H new ATOM 0 HA TRP B 149 -2.227 10.609 0.971 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -1.889 12.000 -1.129 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.630 12.030 -1.320 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -0.972 13.105 1.337 1.00 14.14 H new ATOM 0 HE1 TRP B 149 -1.867 15.133 2.658 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -5.612 13.412 -0.788 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 -4.240 16.632 2.759 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -7.138 15.183 -0.021 1.00 0.00 H new ATOM 0 HH2 TRP B 149 -6.460 16.767 1.727 1.00 21.30 H new ATOM 514 N ALA B 150 -5.267 10.054 -0.134 1.00 4.41 N ATOM 515 CA ALA B 150 -6.634 9.878 0.264 1.00 55.10 C ATOM 516 C ALA B 150 -6.849 8.493 0.884 1.00 74.03 C ATOM 517 O ALA B 150 -7.551 8.342 1.870 1.00 33.30 O ATOM 518 CB ALA B 150 -7.551 10.077 -0.928 1.00 15.21 C ATOM 0 H ALA B 150 -5.078 9.826 -1.110 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.873 10.625 1.021 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.587 9.942 -0.617 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -7.420 11.084 -1.324 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.306 9.349 -1.701 1.00 15.21 H new ATOM 524 N LEU B 151 -6.193 7.517 0.322 1.00 70.43 N ATOM 525 CA LEU B 151 -6.360 6.107 0.696 1.00 60.43 C ATOM 526 C LEU B 151 -5.607 5.679 1.968 1.00 0.01 C ATOM 527 O LEU B 151 -6.090 4.865 2.736 1.00 1.42 O ATOM 528 CB LEU B 151 -5.942 5.224 -0.477 1.00 30.21 C ATOM 529 CG LEU B 151 -6.973 4.975 -1.595 1.00 35.52 C ATOM 530 CD1 LEU B 151 -8.192 4.254 -1.058 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.397 6.253 -2.310 1.00 54.11 C ATOM 0 H LEU B 151 -5.512 7.662 -0.423 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.417 5.982 0.933 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -5.057 5.669 -0.931 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.642 4.256 -0.076 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.475 4.344 -2.331 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -8.904 4.091 -1.867 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -7.892 3.293 -0.639 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.659 4.858 -0.280 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.124 6.012 -3.086 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.847 6.939 -1.592 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.524 6.723 -2.764 1.00 54.11 H new ATOM 543 N SER B 152 -4.450 6.246 2.190 1.00 60.31 N ATOM 544 CA SER B 152 -3.568 5.867 3.292 1.00 74.51 C ATOM 545 C SER B 152 -4.210 6.108 4.666 1.00 11.20 C ATOM 546 O SER B 152 -3.804 5.505 5.662 1.00 33.33 O ATOM 547 CB SER B 152 -2.212 6.571 3.158 1.00 21.44 C ATOM 548 OG SER B 152 -1.266 6.112 4.105 1.00 22.11 O ATOM 0 H SER B 152 -4.077 6.997 1.608 1.00 60.31 H new ATOM 0 HA SER B 152 -3.399 4.792 3.226 1.00 74.51 H new ATOM 0 HB2 SER B 152 -1.822 6.412 2.153 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.351 7.645 3.279 1.00 21.44 H new ATOM 0 HG SER B 152 -0.419 6.588 3.979 1.00 22.11 H new ATOM 554 N ASN B 153 -5.222 6.980 4.709 1.00 64.24 N ATOM 555 CA ASN B 153 -5.944 7.306 5.954 1.00 44.31 C ATOM 556 C ASN B 153 -6.523 6.050 6.621 1.00 64.55 C ATOM 557 O ASN B 153 -6.763 6.039 7.826 1.00 64.23 O ATOM 558 CB ASN B 153 -7.050 8.350 5.721 1.00 63.41 C ATOM 559 CG ASN B 153 -6.516 9.672 5.191 1.00 23.31 C ATOM 560 OD1 ASN B 153 -6.107 10.546 5.953 1.00 40.43 O ATOM 561 ND2 ASN B 153 -6.572 9.858 3.904 1.00 50.30 N ATOM 0 H ASN B 153 -5.566 7.480 3.889 1.00 64.24 H new ATOM 0 HA ASN B 153 -5.210 7.742 6.632 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -7.778 7.949 5.015 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -7.578 8.527 6.658 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -6.272 10.747 3.504 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -6.916 9.115 3.296 1.00 50.30 H new ATOM 568 N ILE B 154 -6.708 4.988 5.822 1.00 75.13 N ATOM 569 CA ILE B 154 -7.118 3.659 6.307 1.00 55.41 C ATOM 570 C ILE B 154 -6.185 3.193 7.437 1.00 43.23 C ATOM 571 O ILE B 154 -6.619 2.699 8.468 1.00 31.12 O ATOM 572 CB ILE B 154 -7.058 2.615 5.135 1.00 3.11 C ATOM 573 CG1 ILE B 154 -8.149 2.875 4.096 1.00 50.30 C ATOM 574 CG2 ILE B 154 -7.105 1.166 5.618 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.560 2.739 4.626 1.00 21.43 C ATOM 0 H ILE B 154 -6.576 5.027 4.811 1.00 75.13 H new ATOM 0 HA ILE B 154 -8.138 3.731 6.683 1.00 55.41 H new ATOM 0 HB ILE B 154 -6.087 2.756 4.660 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -8.020 3.880 3.694 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -8.017 2.181 3.266 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -7.060 0.495 4.760 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -6.256 0.974 6.274 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -8.032 0.995 6.165 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.271 2.940 3.824 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.712 1.727 5.001 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -9.715 3.452 5.435 1.00 21.43 H new ATOM 587 N ALA B 155 -4.918 3.437 7.261 1.00 10.31 N ATOM 588 CA ALA B 155 -3.909 3.008 8.196 1.00 14.12 C ATOM 589 C ALA B 155 -3.974 3.790 9.518 1.00 64.41 C ATOM 590 O ALA B 155 -3.390 3.384 10.525 1.00 71.04 O ATOM 591 CB ALA B 155 -2.541 3.100 7.557 1.00 41.11 C ATOM 0 H ALA B 155 -4.549 3.945 6.457 1.00 10.31 H new ATOM 0 HA ALA B 155 -4.103 1.966 8.450 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -1.784 2.774 8.270 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -2.508 2.461 6.675 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -2.344 4.132 7.265 1.00 41.11 H new ATOM 597 N SER B 156 -4.660 4.917 9.500 1.00 4.52 N ATOM 598 CA SER B 156 -4.797 5.752 10.668 1.00 54.22 C ATOM 599 C SER B 156 -5.941 5.242 11.564 1.00 33.11 C ATOM 600 O SER B 156 -6.019 5.591 12.751 1.00 31.14 O ATOM 601 CB SER B 156 -5.023 7.214 10.246 1.00 51.15 C ATOM 602 OG SER B 156 -5.083 8.092 11.364 1.00 71.21 O ATOM 0 H SER B 156 -5.137 5.276 8.673 1.00 4.52 H new ATOM 0 HA SER B 156 -3.876 5.705 11.250 1.00 54.22 H new ATOM 0 HB2 SER B 156 -4.217 7.528 9.582 1.00 51.15 H new ATOM 0 HB3 SER B 156 -5.950 7.287 9.678 1.00 51.15 H new ATOM 0 HG SER B 156 -5.226 9.010 11.052 1.00 71.21 H new ATOM 608 N GLY B 157 -6.809 4.420 11.004 1.00 64.35 N ATOM 609 CA GLY B 157 -7.896 3.858 11.763 1.00 65.32 C ATOM 610 C GLY B 157 -7.572 2.442 12.142 1.00 30.23 C ATOM 611 O GLY B 157 -7.739 1.545 11.333 1.00 41.22 O ATOM 0 H GLY B 157 -6.777 4.131 10.026 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -8.072 4.453 12.659 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -8.814 3.886 11.176 1.00 65.32 H new ATOM 615 N GLY B 158 -7.088 2.251 13.368 1.00 4.51 N ATOM 616 CA GLY B 158 -6.638 0.938 13.828 1.00 1.13 C ATOM 617 C GLY B 158 -7.693 -0.145 13.703 1.00 32.24 C ATOM 618 O GLY B 158 -7.434 -1.218 13.149 1.00 23.13 O ATOM 0 H GLY B 158 -6.997 2.992 14.063 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -5.758 0.644 13.256 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -6.329 1.014 14.871 1.00 1.13 H new ATOM 622 N ASN B 159 -8.863 0.134 14.185 1.00 23.14 N ATOM 623 CA ASN B 159 -9.969 -0.790 14.073 1.00 4.32 C ATOM 624 C ASN B 159 -10.695 -0.465 12.805 1.00 43.12 C ATOM 625 O ASN B 159 -10.593 0.662 12.329 1.00 73.44 O ATOM 626 CB ASN B 159 -10.937 -0.656 15.261 1.00 41.53 C ATOM 627 CG ASN B 159 -10.328 -1.031 16.593 1.00 73.54 C ATOM 628 OD1 ASN B 159 -9.729 -0.195 17.274 1.00 53.51 O ATOM 629 ND2 ASN B 159 -10.481 -2.268 16.993 1.00 13.35 N ATOM 0 H ASN B 159 -9.088 1.004 14.668 1.00 23.14 H new ATOM 0 HA ASN B 159 -9.591 -1.812 14.070 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -11.293 0.373 15.312 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -11.808 -1.286 15.080 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -10.100 -2.564 17.891 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -10.982 -2.935 16.406 1.00 13.35 H new ATOM 636 N GLU B 160 -11.403 -1.443 12.245 1.00 61.13 N ATOM 637 CA GLU B 160 -12.206 -1.296 11.007 1.00 44.33 C ATOM 638 C GLU B 160 -11.340 -1.107 9.753 1.00 21.45 C ATOM 639 O GLU B 160 -11.349 -1.944 8.850 1.00 55.12 O ATOM 640 CB GLU B 160 -13.218 -0.150 11.117 1.00 21.44 C ATOM 641 CG GLU B 160 -14.153 -0.258 12.293 1.00 75.15 C ATOM 642 CD GLU B 160 -15.054 0.927 12.400 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.654 1.948 13.004 1.00 5.33 O ATOM 644 OE2 GLU B 160 -16.173 0.874 11.876 1.00 51.14 O1- ATOM 0 H GLU B 160 -11.443 -2.384 12.638 1.00 61.13 H new ATOM 0 HA GLU B 160 -12.748 -2.235 10.897 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -12.675 0.793 11.185 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -13.808 -0.113 10.201 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -14.753 -1.163 12.197 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -13.572 -0.356 13.210 1.00 75.15 H new ATOM 651 N GLN B 161 -10.603 -0.036 9.707 1.00 55.22 N ATOM 652 CA GLN B 161 -9.812 0.304 8.550 1.00 4.24 C ATOM 653 C GLN B 161 -8.516 -0.525 8.464 1.00 2.21 C ATOM 654 O GLN B 161 -8.320 -1.278 7.525 1.00 4.14 O ATOM 655 CB GLN B 161 -9.500 1.813 8.512 1.00 73.31 C ATOM 656 CG GLN B 161 -10.677 2.760 8.227 1.00 74.15 C ATOM 657 CD GLN B 161 -11.722 2.834 9.329 1.00 63.34 C ATOM 658 OE1 GLN B 161 -11.427 2.658 10.505 1.00 30.32 O ATOM 659 NE2 GLN B 161 -12.939 3.102 8.953 1.00 71.32 N ATOM 0 H GLN B 161 -10.530 0.633 10.473 1.00 55.22 H new ATOM 0 HA GLN B 161 -10.412 0.055 7.675 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -9.064 2.093 9.471 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -8.737 1.983 7.753 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -10.284 3.761 8.051 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -11.164 2.443 7.305 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -13.148 3.243 7.965 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -13.684 3.171 9.647 1.00 71.32 H new ATOM 668 N LYS B 162 -7.667 -0.416 9.459 1.00 0.01 N ATOM 669 CA LYS B 162 -6.351 -1.082 9.476 1.00 53.04 C ATOM 670 C LYS B 162 -6.462 -2.625 9.461 1.00 54.42 C ATOM 671 O LYS B 162 -5.525 -3.316 9.089 1.00 41.24 O ATOM 672 CB LYS B 162 -5.551 -0.590 10.689 1.00 52.24 C ATOM 673 CG LYS B 162 -4.098 -1.012 10.764 1.00 72.31 C ATOM 674 CD LYS B 162 -3.478 -0.466 12.042 1.00 53.42 C ATOM 675 CE LYS B 162 -3.879 -1.263 13.283 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.246 -2.596 13.319 1.00 22.01 N1+ ATOM 0 H LYS B 162 -7.856 0.138 10.294 1.00 0.01 H new ATOM 0 HA LYS B 162 -5.824 -0.814 8.560 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -5.590 0.499 10.703 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -6.053 -0.938 11.592 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -4.022 -2.099 10.746 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -3.555 -0.640 9.895 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -2.392 -0.474 11.946 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -3.779 0.574 12.171 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -3.599 -0.706 14.177 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -4.963 -1.377 13.305 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -3.975 -3.330 13.211 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -2.558 -2.675 12.543 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.758 -2.724 14.229 1.00 22.01 H new ATOM 690 N GLN B 163 -7.610 -3.147 9.850 1.00 45.04 N ATOM 691 CA GLN B 163 -7.822 -4.600 9.884 1.00 54.43 C ATOM 692 C GLN B 163 -8.147 -5.133 8.479 1.00 43.34 C ATOM 693 O GLN B 163 -7.955 -6.308 8.184 1.00 51.54 O ATOM 694 CB GLN B 163 -8.973 -4.939 10.824 1.00 0.44 C ATOM 695 CG GLN B 163 -10.326 -4.533 10.289 1.00 12.45 C ATOM 696 CD GLN B 163 -11.424 -4.627 11.328 1.00 32.52 C ATOM 697 OE1 GLN B 163 -11.185 -4.441 12.518 1.00 71.21 O ATOM 698 NE2 GLN B 163 -12.620 -4.912 10.901 1.00 35.45 N ATOM 0 H GLN B 163 -8.415 -2.596 10.148 1.00 45.04 H new ATOM 0 HA GLN B 163 -6.905 -5.069 10.241 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -8.973 -6.012 11.014 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -8.807 -4.446 11.782 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -10.272 -3.510 9.917 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.581 -5.168 9.440 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -12.784 -5.061 9.905 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -13.393 -4.987 11.562 1.00 35.45 H new ATOM 707 N ALA B 164 -8.614 -4.247 7.629 1.00 52.32 N ATOM 708 CA ALA B 164 -9.081 -4.577 6.291 1.00 30.11 C ATOM 709 C ALA B 164 -7.978 -5.097 5.438 1.00 13.35 C ATOM 710 O ALA B 164 -8.095 -6.119 4.799 1.00 74.41 O ATOM 711 CB ALA B 164 -9.544 -3.322 5.652 1.00 12.31 C ATOM 0 H ALA B 164 -8.684 -3.253 7.848 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.863 -5.332 6.379 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.901 -3.537 4.645 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.354 -2.892 6.240 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.717 -2.614 5.600 1.00 12.31 H new ATOM 717 N VAL B 165 -6.901 -4.386 5.507 1.00 3.02 N ATOM 718 CA VAL B 165 -5.749 -4.499 4.633 1.00 13.21 C ATOM 719 C VAL B 165 -5.221 -5.948 4.477 1.00 2.43 C ATOM 720 O VAL B 165 -4.834 -6.351 3.394 1.00 61.00 O ATOM 721 CB VAL B 165 -4.634 -3.548 5.140 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.218 -2.199 5.396 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.111 -4.011 6.428 1.00 41.10 C ATOM 0 H VAL B 165 -6.781 -3.662 6.215 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.069 -4.205 3.633 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.848 -3.522 4.385 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.438 -1.527 5.753 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.642 -1.805 4.473 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -6.001 -2.279 6.150 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.330 -3.332 6.769 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.917 -4.033 7.161 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.697 -5.013 6.314 1.00 41.10 H new ATOM 733 N LYS B 166 -5.275 -6.724 5.543 1.00 72.33 N ATOM 734 CA LYS B 166 -4.760 -8.082 5.540 1.00 62.53 C ATOM 735 C LYS B 166 -5.633 -8.931 4.618 1.00 61.12 C ATOM 736 O LYS B 166 -5.149 -9.577 3.690 1.00 13.14 O ATOM 737 CB LYS B 166 -4.787 -8.700 6.959 1.00 64.02 C ATOM 738 CG LYS B 166 -4.076 -7.923 8.089 1.00 21.20 C ATOM 739 CD LYS B 166 -4.835 -6.666 8.549 1.00 51.32 C ATOM 740 CE LYS B 166 -4.372 -6.221 9.926 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.732 -7.203 10.973 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.676 -6.432 6.434 1.00 72.33 H new ATOM 0 HA LYS B 166 -3.726 -8.060 5.195 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -5.829 -8.834 7.248 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.342 -9.693 6.902 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -3.939 -8.586 8.943 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.082 -7.632 7.748 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.679 -5.860 7.832 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -5.905 -6.871 8.570 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -3.291 -6.079 9.917 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -4.818 -5.256 10.165 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -4.782 -6.725 11.895 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -5.656 -7.624 10.751 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -4.010 -7.951 11.010 1.00 65.44 H new ATOM 755 N GLU B 167 -6.922 -8.854 4.875 1.00 75.44 N ATOM 756 CA GLU B 167 -7.947 -9.536 4.191 1.00 33.13 C ATOM 757 C GLU B 167 -8.066 -9.007 2.759 1.00 4.33 C ATOM 758 O GLU B 167 -8.282 -9.775 1.818 1.00 61.22 O ATOM 759 CB GLU B 167 -9.192 -9.271 5.018 1.00 35.41 C ATOM 760 CG GLU B 167 -10.321 -10.187 4.773 1.00 14.32 C ATOM 761 CD GLU B 167 -11.275 -9.713 3.715 1.00 71.10 C ATOM 762 OE1 GLU B 167 -11.973 -8.711 3.948 1.00 51.30 O1- ATOM 763 OE2 GLU B 167 -11.350 -10.320 2.638 1.00 34.35 O ATOM 0 H GLU B 167 -7.284 -8.265 5.625 1.00 75.44 H new ATOM 0 HA GLU B 167 -7.766 -10.606 4.090 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -8.925 -9.325 6.073 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.525 -8.251 4.825 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -9.928 -11.162 4.483 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -10.869 -10.329 5.704 1.00 14.32 H new ATOM 770 N ALA B 168 -7.889 -7.697 2.614 1.00 51.34 N ATOM 771 CA ALA B 168 -7.933 -7.008 1.327 1.00 12.43 C ATOM 772 C ALA B 168 -6.815 -7.473 0.405 1.00 34.44 C ATOM 773 O ALA B 168 -6.929 -7.368 -0.810 1.00 25.22 O ATOM 774 CB ALA B 168 -7.850 -5.504 1.536 1.00 40.11 C ATOM 0 H ALA B 168 -7.708 -7.073 3.401 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.881 -7.253 0.849 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.884 -5.000 0.570 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.691 -5.175 2.147 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -6.916 -5.258 2.041 1.00 40.11 H new ATOM 780 N GLY B 169 -5.746 -7.968 0.982 1.00 34.33 N ATOM 781 CA GLY B 169 -4.668 -8.478 0.186 1.00 34.02 C ATOM 782 C GLY B 169 -3.476 -7.560 0.156 1.00 4.54 C ATOM 783 O GLY B 169 -2.838 -7.420 -0.873 1.00 31.44 O ATOM 0 H GLY B 169 -5.605 -8.026 1.990 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.363 -9.449 0.576 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -5.021 -8.641 -0.833 1.00 34.02 H new ATOM 787 N ALA B 170 -3.160 -6.938 1.281 1.00 35.41 N ATOM 788 CA ALA B 170 -2.023 -6.026 1.367 1.00 34.41 C ATOM 789 C ALA B 170 -0.709 -6.753 1.245 1.00 73.04 C ATOM 790 O ALA B 170 0.224 -6.226 0.678 1.00 1.24 O ATOM 791 CB ALA B 170 -2.087 -5.187 2.626 1.00 13.24 C ATOM 0 H ALA B 170 -3.677 -7.047 2.154 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.086 -5.346 0.517 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.227 -4.518 2.662 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.005 -4.599 2.625 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.075 -5.840 3.499 1.00 13.24 H new ATOM 797 N LEU B 171 -0.652 -7.988 1.723 1.00 61.22 N ATOM 798 CA LEU B 171 0.567 -8.780 1.612 1.00 71.22 C ATOM 799 C LEU B 171 0.761 -9.190 0.169 1.00 54.15 C ATOM 800 O LEU B 171 1.882 -9.253 -0.340 1.00 23.24 O ATOM 801 CB LEU B 171 0.495 -10.012 2.501 1.00 35.44 C ATOM 802 CG LEU B 171 0.345 -9.739 3.991 1.00 71.12 C ATOM 803 CD1 LEU B 171 0.215 -11.033 4.746 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.529 -8.947 4.506 1.00 11.20 C ATOM 0 H LEU B 171 -1.427 -8.461 2.187 1.00 61.22 H new ATOM 0 HA LEU B 171 1.413 -8.177 1.941 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.346 -10.624 2.175 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.398 -10.603 2.347 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.559 -9.150 4.147 1.00 71.12 H new ATOM 0 HD11 LEU B 171 0.108 -10.824 5.810 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -0.663 -11.574 4.393 1.00 70.51 H new ATOM 0 HD13 LEU B 171 1.105 -11.640 4.583 1.00 70.51 H new ATOM 0 HD21 LEU B 171 1.406 -8.760 5.573 1.00 11.20 H new ATOM 0 HD22 LEU B 171 2.445 -9.513 4.340 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.589 -7.996 3.976 1.00 11.20 H new ATOM 816 N GLU B 172 -0.345 -9.457 -0.479 1.00 61.41 N ATOM 817 CA GLU B 172 -0.381 -9.807 -1.874 1.00 12.34 C ATOM 818 C GLU B 172 0.026 -8.586 -2.707 1.00 12.03 C ATOM 819 O GLU B 172 0.924 -8.653 -3.552 1.00 11.21 O ATOM 820 CB GLU B 172 -1.804 -10.256 -2.215 1.00 22.42 C ATOM 821 CG GLU B 172 -2.040 -10.633 -3.657 1.00 4.33 C ATOM 822 CD GLU B 172 -3.460 -11.070 -3.885 1.00 14.33 C ATOM 823 OE1 GLU B 172 -4.339 -10.204 -4.073 1.00 61.51 O ATOM 824 OE2 GLU B 172 -3.728 -12.288 -3.871 1.00 71.05 O1- ATOM 0 H GLU B 172 -1.265 -9.436 -0.040 1.00 61.41 H new ATOM 0 HA GLU B 172 0.313 -10.618 -2.095 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -2.056 -11.112 -1.588 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -2.492 -9.453 -1.950 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -1.812 -9.782 -4.299 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -1.361 -11.437 -3.940 1.00 4.33 H new ATOM 831 N LYS B 173 -0.611 -7.476 -2.413 1.00 75.52 N ATOM 832 CA LYS B 173 -0.401 -6.216 -3.082 1.00 52.14 C ATOM 833 C LYS B 173 1.027 -5.693 -2.931 1.00 13.42 C ATOM 834 O LYS B 173 1.584 -5.105 -3.872 1.00 22.05 O ATOM 835 CB LYS B 173 -1.405 -5.191 -2.540 1.00 52.11 C ATOM 836 CG LYS B 173 -2.476 -4.665 -3.519 1.00 23.24 C ATOM 837 CD LYS B 173 -3.560 -5.682 -3.905 1.00 32.34 C ATOM 838 CE LYS B 173 -3.032 -6.815 -4.726 1.00 65.44 C ATOM 839 NZ LYS B 173 -4.076 -7.768 -5.124 1.00 43.00 N1+ ATOM 0 H LYS B 173 -1.314 -7.426 -1.675 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.557 -6.375 -4.149 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.917 -5.638 -1.688 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -0.844 -4.336 -2.162 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.958 -3.795 -3.073 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -1.980 -4.324 -4.427 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -4.017 -6.079 -2.999 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -4.347 -5.173 -4.462 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -2.551 -6.416 -5.619 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -2.264 -7.341 -4.159 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -3.962 -8.008 -6.130 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -3.994 -8.632 -4.551 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -5.012 -7.340 -4.974 1.00 43.00 H new ATOM 853 N LEU B 174 1.596 -5.934 -1.775 1.00 32.33 N ATOM 854 CA LEU B 174 2.921 -5.471 -1.397 1.00 44.15 C ATOM 855 C LEU B 174 4.006 -5.935 -2.379 1.00 4.04 C ATOM 856 O LEU B 174 4.827 -5.137 -2.816 1.00 43.44 O ATOM 857 CB LEU B 174 3.242 -5.992 0.009 1.00 22.15 C ATOM 858 CG LEU B 174 4.491 -5.445 0.687 1.00 32.13 C ATOM 859 CD1 LEU B 174 4.331 -3.961 0.981 1.00 13.11 C ATOM 860 CD2 LEU B 174 4.780 -6.219 1.960 1.00 43.15 C ATOM 0 H LEU B 174 1.138 -6.476 -1.042 1.00 32.33 H new ATOM 0 HA LEU B 174 2.916 -4.381 -1.417 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.388 -5.778 0.651 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.335 -7.077 -0.046 1.00 22.15 H new ATOM 0 HG LEU B 174 5.337 -5.567 0.011 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.233 -3.587 1.465 1.00 13.11 H new ATOM 0 HD12 LEU B 174 4.169 -3.421 0.048 1.00 13.11 H new ATOM 0 HD13 LEU B 174 3.476 -3.811 1.640 1.00 13.11 H new ATOM 0 HD21 LEU B 174 5.675 -5.818 2.435 1.00 43.15 H new ATOM 0 HD22 LEU B 174 3.935 -6.126 2.642 1.00 43.15 H new ATOM 0 HD23 LEU B 174 4.937 -7.270 1.719 1.00 43.15 H new ATOM 872 N GLU B 175 3.962 -7.212 -2.763 1.00 64.22 N ATOM 873 CA GLU B 175 4.961 -7.835 -3.562 1.00 34.22 C ATOM 874 C GLU B 175 5.237 -7.132 -4.898 1.00 30.54 C ATOM 875 O GLU B 175 6.386 -7.036 -5.313 1.00 40.22 O ATOM 876 CB GLU B 175 4.573 -9.261 -3.778 1.00 31.20 C ATOM 877 CG GLU B 175 4.595 -10.108 -2.525 1.00 63.55 C ATOM 878 CD GLU B 175 4.439 -11.570 -2.831 1.00 72.13 C ATOM 879 OE1 GLU B 175 5.463 -12.250 -3.050 1.00 5.21 O ATOM 880 OE2 GLU B 175 3.307 -12.070 -2.858 1.00 12.05 O1- ATOM 0 H GLU B 175 3.200 -7.840 -2.508 1.00 64.22 H new ATOM 0 HA GLU B 175 5.902 -7.764 -3.016 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.571 -9.292 -4.206 1.00 31.20 H new ATOM 0 HB3 GLU B 175 5.247 -9.702 -4.512 1.00 31.20 H new ATOM 0 HG2 GLU B 175 5.534 -9.947 -1.995 1.00 63.55 H new ATOM 0 HG3 GLU B 175 3.794 -9.790 -1.858 1.00 63.55 H new ATOM 887 N GLN B 176 4.199 -6.629 -5.535 1.00 53.05 N ATOM 888 CA GLN B 176 4.321 -5.933 -6.818 1.00 51.12 C ATOM 889 C GLN B 176 5.121 -4.662 -6.650 1.00 15.23 C ATOM 890 O GLN B 176 6.014 -4.335 -7.437 1.00 25.45 O ATOM 891 CB GLN B 176 2.935 -5.554 -7.289 1.00 22.05 C ATOM 892 CG GLN B 176 2.045 -6.723 -7.599 1.00 3.54 C ATOM 893 CD GLN B 176 2.414 -7.442 -8.888 1.00 35.11 C ATOM 894 OE1 GLN B 176 2.851 -6.711 -9.887 1.00 25.33 O flip ATOM 895 NE2 GLN B 176 2.241 -8.651 -9.003 1.00 12.14 N flip ATOM 0 H GLN B 176 3.243 -6.687 -5.185 1.00 53.05 H new ATOM 0 HA GLN B 176 4.820 -6.586 -7.534 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.458 -4.943 -6.523 1.00 22.05 H new ATOM 0 HB3 GLN B 176 3.024 -4.934 -8.181 1.00 22.05 H new ATOM 0 HG2 GLN B 176 2.088 -7.432 -6.772 1.00 3.54 H new ATOM 0 HG3 GLN B 176 1.014 -6.376 -7.668 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.900 -9.195 -8.210 1.00 12.14 H new ATOM 0 HE22 GLN B 176 2.438 -9.112 -9.891 1.00 12.14 H new ATOM 904 N LEU B 177 4.791 -3.979 -5.608 1.00 55.23 N ATOM 905 CA LEU B 177 5.340 -2.688 -5.275 1.00 50.03 C ATOM 906 C LEU B 177 6.738 -2.817 -4.686 1.00 2.24 C ATOM 907 O LEU B 177 7.546 -1.900 -4.754 1.00 11.31 O ATOM 908 CB LEU B 177 4.327 -2.017 -4.350 1.00 4.33 C ATOM 909 CG LEU B 177 4.493 -0.571 -3.988 1.00 13.40 C ATOM 910 CD1 LEU B 177 5.465 -0.420 -2.862 1.00 11.02 C ATOM 911 CD2 LEU B 177 4.914 0.215 -5.225 1.00 54.44 C ATOM 0 H LEU B 177 4.104 -4.309 -4.930 1.00 55.23 H new ATOM 0 HA LEU B 177 5.486 -2.063 -6.156 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.345 -2.127 -4.809 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.309 -2.585 -3.420 1.00 4.33 H new ATOM 0 HG LEU B 177 3.543 -0.166 -3.639 1.00 13.40 H new ATOM 0 HD11 LEU B 177 5.573 0.636 -2.613 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.099 -0.963 -1.990 1.00 11.02 H new ATOM 0 HD13 LEU B 177 6.433 -0.823 -3.160 1.00 11.02 H new ATOM 0 HD21 LEU B 177 5.035 1.266 -4.964 1.00 54.44 H new ATOM 0 HD22 LEU B 177 5.859 -0.177 -5.601 1.00 54.44 H new ATOM 0 HD23 LEU B 177 4.149 0.118 -5.995 1.00 54.44 H new ATOM 923 N GLN B 178 7.028 -3.959 -4.146 1.00 31.43 N ATOM 924 CA GLN B 178 8.382 -4.251 -3.654 1.00 34.22 C ATOM 925 C GLN B 178 9.428 -4.207 -4.792 1.00 43.53 C ATOM 926 O GLN B 178 10.615 -4.056 -4.546 1.00 33.40 O ATOM 927 CB GLN B 178 8.442 -5.584 -2.897 1.00 22.20 C ATOM 928 CG GLN B 178 7.737 -5.569 -1.544 1.00 63.12 C ATOM 929 CD GLN B 178 8.358 -4.595 -0.535 1.00 52.34 C ATOM 930 OE1 GLN B 178 7.678 -4.049 0.308 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.657 -4.413 -0.587 1.00 12.22 N ATOM 0 H GLN B 178 6.360 -4.720 -4.024 1.00 31.43 H new ATOM 0 HA GLN B 178 8.635 -3.463 -2.945 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.996 -6.361 -3.517 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.487 -5.856 -2.746 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.690 -5.305 -1.693 1.00 63.12 H new ATOM 0 HG3 GLN B 178 7.756 -6.574 -1.124 1.00 63.12 H new ATOM 0 HE21 GLN B 178 10.209 -4.882 -1.305 1.00 12.22 H new ATOM 0 HE22 GLN B 178 10.114 -3.802 0.090 1.00 12.22 H new ATOM 940 N SER B 179 8.965 -4.274 -6.027 1.00 11.02 N ATOM 941 CA SER B 179 9.821 -4.193 -7.207 1.00 25.41 C ATOM 942 C SER B 179 9.900 -2.724 -7.710 1.00 10.24 C ATOM 943 O SER B 179 10.241 -2.450 -8.862 1.00 40.01 O ATOM 944 CB SER B 179 9.222 -5.095 -8.272 1.00 32.12 C ATOM 945 OG SER B 179 8.999 -6.394 -7.735 1.00 64.32 O ATOM 0 H SER B 179 7.975 -4.387 -6.246 1.00 11.02 H new ATOM 0 HA SER B 179 10.835 -4.515 -6.971 1.00 25.41 H new ATOM 0 HB2 SER B 179 8.283 -4.674 -8.632 1.00 32.12 H new ATOM 0 HB3 SER B 179 9.893 -5.156 -9.129 1.00 32.12 H new ATOM 0 HG SER B 179 8.611 -6.971 -8.425 1.00 64.32 H new ATOM 951 N HIS B 180 9.595 -1.819 -6.801 1.00 24.01 N ATOM 952 CA HIS B 180 9.563 -0.349 -6.986 1.00 14.12 C ATOM 953 C HIS B 180 10.797 0.243 -7.707 1.00 13.51 C ATOM 954 O HIS B 180 11.921 -0.275 -7.600 1.00 60.24 O ATOM 955 CB HIS B 180 9.451 0.319 -5.601 1.00 1.42 C ATOM 956 CG HIS B 180 10.666 0.130 -4.718 1.00 74.51 C ATOM 957 ND1 HIS B 180 11.560 1.134 -4.453 1.00 63.40 N ATOM 958 CD2 HIS B 180 11.150 -0.964 -4.095 1.00 44.44 C ATOM 959 CE1 HIS B 180 12.542 0.668 -3.724 1.00 71.54 C ATOM 960 NE2 HIS B 180 12.318 -0.601 -3.488 1.00 34.33 N ATOM 0 H HIS B 180 9.345 -2.088 -5.850 1.00 24.01 H new ATOM 0 HA HIS B 180 8.705 -0.147 -7.627 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.279 1.387 -5.738 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.577 -0.081 -5.087 1.00 1.42 H new ATOM 0 HD1 HIS B 180 11.473 2.098 -4.775 1.00 63.40 H new ATOM 0 HD2 HIS B 180 10.698 -1.945 -4.079 1.00 44.44 H new ATOM 0 HE1 HIS B 180 13.393 1.234 -3.376 1.00 71.54 H new ATOM 969 N GLU B 181 10.576 1.337 -8.382 1.00 2.23 N ATOM 970 CA GLU B 181 11.617 2.091 -9.041 1.00 3.54 C ATOM 971 C GLU B 181 11.857 3.401 -8.264 1.00 21.45 C ATOM 972 O GLU B 181 12.923 4.017 -8.366 1.00 41.00 O ATOM 973 CB GLU B 181 11.205 2.405 -10.478 1.00 22.41 C ATOM 974 CG GLU B 181 10.974 1.172 -11.346 1.00 21.45 C ATOM 975 CD GLU B 181 10.409 1.513 -12.706 1.00 4.11 C ATOM 976 OE1 GLU B 181 11.177 1.914 -13.604 1.00 21.44 O ATOM 977 OE2 GLU B 181 9.172 1.384 -12.906 1.00 34.25 O1- ATOM 0 H GLU B 181 9.647 1.742 -8.494 1.00 2.23 H new ATOM 0 HA GLU B 181 12.535 1.504 -9.062 1.00 3.54 H new ATOM 0 HB2 GLU B 181 10.292 2.999 -10.461 1.00 22.41 H new ATOM 0 HB3 GLU B 181 11.977 3.021 -10.939 1.00 22.41 H new ATOM 0 HG2 GLU B 181 11.917 0.640 -11.472 1.00 21.45 H new ATOM 0 HG3 GLU B 181 10.291 0.494 -10.833 1.00 21.45 H new ATOM 984 N ASN B 182 10.858 3.799 -7.480 1.00 1.10 N ATOM 985 CA ASN B 182 10.890 5.031 -6.666 1.00 51.53 C ATOM 986 C ASN B 182 11.249 4.713 -5.276 1.00 31.02 C ATOM 987 O ASN B 182 10.852 3.702 -4.698 1.00 72.11 O ATOM 988 CB ASN B 182 9.542 5.750 -6.733 1.00 70.24 C ATOM 989 CG ASN B 182 9.539 7.103 -6.056 1.00 71.13 C ATOM 990 OD1 ASN B 182 9.271 7.205 -4.877 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.811 8.138 -6.789 1.00 41.44 N ATOM 0 H ASN B 182 9.988 3.274 -7.385 1.00 1.10 H new ATOM 0 HA ASN B 182 11.650 5.700 -7.070 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.259 5.876 -7.778 1.00 70.24 H new ATOM 0 HB3 ASN B 182 8.781 5.121 -6.271 1.00 70.24 H new ATOM 0 HD21 ASN B 182 9.803 9.071 -6.377 1.00 41.44 H new ATOM 0 HD22 ASN B 182 10.032 8.019 -7.778 1.00 41.44 H new ATOM 998 N GLU B 183 12.022 5.580 -4.773 1.00 21.41 N ATOM 999 CA GLU B 183 12.597 5.510 -3.517 1.00 75.53 C ATOM 1000 C GLU B 183 11.603 5.820 -2.359 1.00 53.13 C ATOM 1001 O GLU B 183 11.635 5.148 -1.321 1.00 62.23 O ATOM 1002 CB GLU B 183 13.797 6.431 -3.521 1.00 4.41 C ATOM 1003 CG GLU B 183 13.515 7.927 -3.745 1.00 71.12 C ATOM 1004 CD GLU B 183 13.107 8.318 -5.140 1.00 70.35 C ATOM 1005 OE1 GLU B 183 13.502 7.647 -6.111 1.00 10.34 O1- ATOM 1006 OE2 GLU B 183 12.333 9.275 -5.276 1.00 74.32 O ATOM 0 H GLU B 183 12.286 6.426 -5.278 1.00 21.41 H new ATOM 0 HA GLU B 183 12.908 4.485 -3.317 1.00 75.53 H new ATOM 0 HB2 GLU B 183 14.315 6.321 -2.568 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.483 6.093 -4.298 1.00 4.41 H new ATOM 0 HG2 GLU B 183 12.728 8.235 -3.057 1.00 71.12 H new ATOM 0 HG3 GLU B 183 14.410 8.489 -3.478 1.00 71.12 H new ATOM 1013 N LYS B 184 10.689 6.799 -2.558 1.00 31.52 N ATOM 1014 CA LYS B 184 9.678 7.157 -1.526 1.00 55.01 C ATOM 1015 C LYS B 184 8.771 5.993 -1.284 1.00 72.22 C ATOM 1016 O LYS B 184 8.291 5.766 -0.166 1.00 13.24 O ATOM 1017 CB LYS B 184 8.780 8.321 -1.958 1.00 13.15 C ATOM 1018 CG LYS B 184 9.412 9.690 -2.013 1.00 23.11 C ATOM 1019 CD LYS B 184 8.399 10.792 -2.417 1.00 51.20 C ATOM 1020 CE LYS B 184 7.276 11.074 -1.364 1.00 41.21 C ATOM 1021 NZ LYS B 184 6.282 9.965 -1.182 1.00 13.42 N1+ ATOM 0 H LYS B 184 10.628 7.352 -3.413 1.00 31.52 H new ATOM 0 HA LYS B 184 10.240 7.441 -0.636 1.00 55.01 H new ATOM 0 HB2 LYS B 184 8.381 8.092 -2.946 1.00 13.15 H new ATOM 0 HB3 LYS B 184 7.932 8.367 -1.274 1.00 13.15 H new ATOM 0 HG2 LYS B 184 9.837 9.930 -1.039 1.00 23.11 H new ATOM 0 HG3 LYS B 184 10.236 9.679 -2.726 1.00 23.11 H new ATOM 0 HD2 LYS B 184 8.945 11.717 -2.601 1.00 51.20 H new ATOM 0 HD3 LYS B 184 7.930 10.506 -3.359 1.00 51.20 H new ATOM 0 HE2 LYS B 184 7.745 11.282 -0.402 1.00 41.21 H new ATOM 0 HE3 LYS B 184 6.741 11.976 -1.659 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 5.327 10.366 -1.094 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 6.316 9.330 -2.005 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 6.513 9.429 -0.321 1.00 13.42 H new ATOM 1035 N ILE B 185 8.563 5.259 -2.353 1.00 60.21 N ATOM 1036 CA ILE B 185 7.717 4.102 -2.412 1.00 75.21 C ATOM 1037 C ILE B 185 8.016 3.068 -1.284 1.00 0.43 C ATOM 1038 O ILE B 185 7.121 2.359 -0.834 1.00 60.43 O ATOM 1039 CB ILE B 185 7.798 3.489 -3.828 1.00 72.20 C ATOM 1040 CG1 ILE B 185 7.078 4.387 -4.832 1.00 53.13 C ATOM 1041 CG2 ILE B 185 7.246 2.110 -3.882 1.00 64.03 C ATOM 1042 CD1 ILE B 185 5.589 4.525 -4.618 1.00 52.31 C ATOM 0 H ILE B 185 9.005 5.469 -3.248 1.00 60.21 H new ATOM 0 HA ILE B 185 6.690 4.414 -2.225 1.00 75.21 H new ATOM 0 HB ILE B 185 8.854 3.422 -4.091 1.00 72.20 H new ATOM 0 HG12 ILE B 185 7.528 5.379 -4.796 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.250 3.995 -5.835 1.00 53.13 H new ATOM 0 HG21 ILE B 185 7.327 1.725 -4.899 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.808 1.467 -3.205 1.00 64.03 H new ATOM 0 HG23 ILE B 185 6.198 2.126 -3.582 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.171 5.182 -5.381 1.00 52.31 H new ATOM 0 HD12 ILE B 185 5.119 3.544 -4.687 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.401 4.949 -3.632 1.00 52.31 H new ATOM 1054 N GLN B 186 9.253 3.040 -0.794 1.00 51.04 N ATOM 1055 CA GLN B 186 9.611 2.168 0.329 1.00 13.34 C ATOM 1056 C GLN B 186 8.819 2.483 1.601 1.00 43.21 C ATOM 1057 O GLN B 186 8.485 1.582 2.365 1.00 14.42 O ATOM 1058 CB GLN B 186 11.101 2.220 0.627 1.00 3.31 C ATOM 1059 CG GLN B 186 11.939 1.347 -0.268 1.00 30.13 C ATOM 1060 CD GLN B 186 11.604 -0.126 -0.095 1.00 33.34 C ATOM 1061 OE1 GLN B 186 10.754 -0.679 -0.795 1.00 41.14 O ATOM 1062 NE2 GLN B 186 12.241 -0.758 0.847 1.00 12.44 N ATOM 0 H GLN B 186 10.022 3.606 -1.152 1.00 51.04 H new ATOM 0 HA GLN B 186 9.347 1.159 0.014 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.443 3.251 0.534 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.264 1.922 1.663 1.00 3.31 H new ATOM 0 HG2 GLN B 186 11.782 1.636 -1.307 1.00 30.13 H new ATOM 0 HG3 GLN B 186 12.994 1.508 -0.048 1.00 30.13 H new ATOM 0 HE21 GLN B 186 12.939 -0.269 1.408 1.00 12.44 H new ATOM 0 HE22 GLN B 186 12.043 -1.743 1.025 1.00 12.44 H new ATOM 1071 N LYS B 187 8.510 3.742 1.830 1.00 22.52 N ATOM 1072 CA LYS B 187 7.770 4.110 3.025 1.00 74.33 C ATOM 1073 C LYS B 187 6.304 3.801 2.764 1.00 72.42 C ATOM 1074 O LYS B 187 5.576 3.382 3.652 1.00 44.24 O ATOM 1075 CB LYS B 187 7.974 5.617 3.349 1.00 51.52 C ATOM 1076 CG LYS B 187 7.774 6.035 4.837 1.00 61.53 C ATOM 1077 CD LYS B 187 6.359 5.821 5.382 1.00 22.21 C ATOM 1078 CE LYS B 187 5.315 6.702 4.698 1.00 31.44 C ATOM 1079 NZ LYS B 187 5.527 8.143 4.947 1.00 31.33 N1+ ATOM 0 H LYS B 187 8.754 4.520 1.217 1.00 22.52 H new ATOM 0 HA LYS B 187 8.125 3.547 3.888 1.00 74.33 H new ATOM 0 HB2 LYS B 187 8.983 5.899 3.047 1.00 51.52 H new ATOM 0 HB3 LYS B 187 7.284 6.196 2.735 1.00 51.52 H new ATOM 0 HG2 LYS B 187 8.474 5.473 5.454 1.00 61.53 H new ATOM 0 HG3 LYS B 187 8.032 7.089 4.941 1.00 61.53 H new ATOM 0 HD2 LYS B 187 6.082 4.774 5.256 1.00 22.21 H new ATOM 0 HD3 LYS B 187 6.353 6.025 6.453 1.00 22.21 H new ATOM 0 HE2 LYS B 187 5.338 6.517 3.624 1.00 31.44 H new ATOM 0 HE3 LYS B 187 4.322 6.420 5.049 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 4.727 8.683 4.561 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 5.597 8.312 5.971 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 6.407 8.449 4.485 1.00 31.33 H new ATOM 1093 N GLU B 188 5.914 3.944 1.515 1.00 1.40 N ATOM 1094 CA GLU B 188 4.540 3.746 1.099 1.00 41.11 C ATOM 1095 C GLU B 188 4.181 2.253 1.242 1.00 55.30 C ATOM 1096 O GLU B 188 3.090 1.900 1.684 1.00 1.32 O ATOM 1097 CB GLU B 188 4.363 4.210 -0.362 1.00 0.21 C ATOM 1098 CG GLU B 188 5.110 5.518 -0.736 1.00 71.14 C ATOM 1099 CD GLU B 188 4.741 6.769 0.046 1.00 11.41 C ATOM 1100 OE1 GLU B 188 4.827 6.764 1.294 1.00 31.44 O ATOM 1101 OE2 GLU B 188 4.475 7.807 -0.576 1.00 62.41 O1- ATOM 0 H GLU B 188 6.544 4.202 0.755 1.00 1.40 H new ATOM 0 HA GLU B 188 3.873 4.335 1.728 1.00 41.11 H new ATOM 0 HB2 GLU B 188 4.705 3.414 -1.023 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.299 4.350 -0.555 1.00 0.21 H new ATOM 0 HG2 GLU B 188 6.179 5.345 -0.614 1.00 71.14 H new ATOM 0 HG3 GLU B 188 4.938 5.716 -1.794 1.00 71.14 H new ATOM 1108 N ALA B 189 5.131 1.400 0.876 1.00 22.15 N ATOM 1109 CA ALA B 189 5.015 -0.049 1.004 1.00 34.34 C ATOM 1110 C ALA B 189 4.936 -0.463 2.460 1.00 10.01 C ATOM 1111 O ALA B 189 3.969 -1.109 2.906 1.00 70.11 O ATOM 1112 CB ALA B 189 6.238 -0.711 0.389 1.00 52.44 C ATOM 0 H ALA B 189 6.019 1.701 0.475 1.00 22.15 H new ATOM 0 HA ALA B 189 4.105 -0.360 0.491 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.152 -1.793 0.484 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.305 -0.444 -0.666 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.135 -0.371 0.907 1.00 52.44 H new ATOM 1118 N GLN B 190 5.947 -0.059 3.210 1.00 64.45 N ATOM 1119 CA GLN B 190 6.089 -0.460 4.587 1.00 73.23 C ATOM 1120 C GLN B 190 5.003 0.103 5.484 1.00 61.30 C ATOM 1121 O GLN B 190 4.765 -0.437 6.544 1.00 21.21 O ATOM 1122 CB GLN B 190 7.488 -0.182 5.120 1.00 2.33 C ATOM 1123 CG GLN B 190 8.574 -0.889 4.311 1.00 20.12 C ATOM 1124 CD GLN B 190 9.964 -0.745 4.885 1.00 2.31 C ATOM 1125 OE1 GLN B 190 10.203 0.312 5.612 1.00 32.22 O flip ATOM 1126 NE2 GLN B 190 10.819 -1.613 4.696 1.00 62.14 N flip ATOM 0 H GLN B 190 6.689 0.556 2.876 1.00 64.45 H new ATOM 0 HA GLN B 190 5.953 -1.541 4.605 1.00 73.23 H new ATOM 0 HB2 GLN B 190 7.671 0.892 5.107 1.00 2.33 H new ATOM 0 HB3 GLN B 190 7.547 -0.503 6.160 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.329 -1.949 4.243 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.570 -0.495 3.295 1.00 20.12 H new ATOM 0 HE21 GLN B 190 10.601 -2.428 4.122 1.00 62.14 H new ATOM 0 HE22 GLN B 190 11.745 -1.516 5.113 1.00 62.14 H new ATOM 1135 N GLU B 191 4.346 1.169 5.034 1.00 20.43 N ATOM 1136 CA GLU B 191 3.235 1.805 5.749 1.00 21.04 C ATOM 1137 C GLU B 191 2.187 0.756 6.189 1.00 11.53 C ATOM 1138 O GLU B 191 1.838 0.657 7.376 1.00 43.14 O ATOM 1139 CB GLU B 191 2.562 2.839 4.826 1.00 13.23 C ATOM 1140 CG GLU B 191 1.428 3.630 5.467 1.00 73.14 C ATOM 1141 CD GLU B 191 1.904 4.596 6.520 1.00 25.30 C ATOM 1142 OE1 GLU B 191 2.540 4.177 7.492 1.00 63.00 O ATOM 1143 OE2 GLU B 191 1.616 5.798 6.404 1.00 14.54 O1- ATOM 0 H GLU B 191 4.571 1.624 4.150 1.00 20.43 H new ATOM 0 HA GLU B 191 3.631 2.294 6.639 1.00 21.04 H new ATOM 0 HB2 GLU B 191 3.320 3.539 4.475 1.00 13.23 H new ATOM 0 HB3 GLU B 191 2.174 2.322 3.948 1.00 13.23 H new ATOM 0 HG2 GLU B 191 0.894 4.180 4.693 1.00 73.14 H new ATOM 0 HG3 GLU B 191 0.716 2.936 5.914 1.00 73.14 H new ATOM 1150 N ALA B 192 1.726 -0.044 5.241 1.00 12.05 N ATOM 1151 CA ALA B 192 0.700 -1.053 5.526 1.00 52.44 C ATOM 1152 C ALA B 192 1.320 -2.274 6.164 1.00 63.31 C ATOM 1153 O ALA B 192 0.707 -2.882 7.024 1.00 62.12 O ATOM 1154 CB ALA B 192 -0.061 -1.449 4.249 1.00 12.11 C ATOM 0 H ALA B 192 2.039 -0.021 4.271 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.013 -0.615 6.224 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.815 -2.198 4.492 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.547 -0.569 3.827 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.639 -1.861 3.522 1.00 12.11 H new ATOM 1160 N LEU B 193 2.553 -2.585 5.759 1.00 21.32 N ATOM 1161 CA LEU B 193 3.321 -3.743 6.228 1.00 65.15 C ATOM 1162 C LEU B 193 3.317 -3.757 7.738 1.00 0.51 C ATOM 1163 O LEU B 193 2.798 -4.667 8.386 1.00 31.01 O ATOM 1164 CB LEU B 193 4.756 -3.539 5.713 1.00 24.10 C ATOM 1165 CG LEU B 193 5.792 -4.648 5.907 1.00 35.55 C ATOM 1166 CD1 LEU B 193 6.861 -4.523 4.840 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.454 -4.482 7.257 1.00 3.03 C ATOM 0 H LEU B 193 3.060 -2.023 5.076 1.00 21.32 H new ATOM 0 HA LEU B 193 2.902 -4.684 5.872 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.693 -3.334 4.644 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.148 -2.639 6.187 1.00 24.10 H new ATOM 0 HG LEU B 193 5.299 -5.618 5.842 1.00 35.55 H new ATOM 0 HD11 LEU B 193 7.602 -5.311 4.973 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.404 -4.617 3.855 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.346 -3.551 4.923 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.193 -5.270 7.399 1.00 3.03 H new ATOM 0 HD22 LEU B 193 6.946 -3.511 7.304 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.700 -4.545 8.042 1.00 3.03 H new ATOM 1179 N GLU B 194 3.840 -2.687 8.236 1.00 32.42 N ATOM 1180 CA GLU B 194 4.009 -2.348 9.543 1.00 1.13 C ATOM 1181 C GLU B 194 2.751 -2.533 10.362 1.00 25.31 C ATOM 1182 O GLU B 194 2.698 -3.301 11.326 1.00 45.10 O ATOM 1183 CB GLU B 194 4.301 -0.896 9.401 1.00 42.50 C ATOM 1184 CG GLU B 194 4.413 -0.213 10.654 1.00 61.52 C ATOM 1185 CD GLU B 194 4.855 1.210 10.521 1.00 43.35 C ATOM 1186 OE1 GLU B 194 6.064 1.455 10.411 1.00 73.13 O ATOM 1187 OE2 GLU B 194 3.991 2.125 10.518 1.00 14.30 O1- ATOM 0 H GLU B 194 4.195 -1.955 7.621 1.00 32.42 H new ATOM 0 HA GLU B 194 4.763 -2.948 10.053 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.230 -0.773 8.844 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.512 -0.430 8.811 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.448 -0.240 11.161 1.00 61.52 H new ATOM 0 HG3 GLU B 194 5.121 -0.747 11.288 1.00 61.52 H new ATOM 1194 N LYS B 195 1.783 -1.833 9.940 1.00 35.45 N ATOM 1195 CA LYS B 195 0.550 -1.711 10.589 1.00 0.22 C ATOM 1196 C LYS B 195 -0.381 -2.913 10.490 1.00 34.32 C ATOM 1197 O LYS B 195 -1.301 -3.040 11.306 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.083 -0.423 10.144 1.00 52.22 C ATOM 1199 CG LYS B 195 0.325 0.743 11.014 1.00 23.11 C ATOM 1200 CD LYS B 195 -0.346 2.032 10.609 1.00 42.32 C ATOM 1201 CE LYS B 195 0.333 2.681 9.420 1.00 61.10 C ATOM 1202 NZ LYS B 195 1.682 3.177 9.745 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.833 -1.294 9.075 1.00 35.45 H new ATOM 0 HA LYS B 195 0.746 -1.686 11.661 1.00 0.22 H new ATOM 0 HB2 LYS B 195 0.199 -0.219 9.111 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -1.168 -0.527 10.164 1.00 52.22 H new ATOM 0 HG2 LYS B 195 0.079 0.520 12.052 1.00 23.11 H new ATOM 0 HG3 LYS B 195 1.406 0.869 10.963 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -1.390 1.835 10.366 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -0.339 2.724 11.451 1.00 42.32 H new ATOM 0 HE2 LYS B 195 0.401 1.960 8.605 1.00 61.10 H new ATOM 0 HE3 LYS B 195 -0.279 3.509 9.063 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 2.003 3.825 8.998 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 1.657 3.682 10.654 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 2.340 2.374 9.813 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.199 -3.780 9.517 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.001 -4.913 9.457 1.00 65.11 C ATOM 1218 C LEU B 196 -0.405 -6.010 10.298 1.00 32.01 C ATOM 1219 O LEU B 196 -1.138 -6.836 10.863 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.175 -5.358 8.023 1.00 75.42 C ATOM 1221 CG LEU B 196 -0.045 -6.132 7.328 1.00 24.30 C ATOM 1222 CD1 LEU B 196 -0.225 -7.641 7.525 1.00 63.01 C ATOM 1223 CD2 LEU B 196 0.000 -5.770 5.855 1.00 63.35 C ATOM 0 H LEU B 196 0.499 -3.696 8.778 1.00 42.45 H new ATOM 0 HA LEU B 196 -1.987 -4.674 9.856 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -2.070 -5.979 7.980 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.375 -4.468 7.427 1.00 75.42 H new ATOM 0 HG LEU B 196 0.907 -5.852 7.778 1.00 24.30 H new ATOM 0 HD11 LEU B 196 0.585 -8.172 7.025 1.00 63.01 H new ATOM 0 HD12 LEU B 196 -0.209 -7.873 8.590 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -1.179 -7.952 7.100 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.804 -6.323 5.369 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -0.951 -6.027 5.388 1.00 63.35 H new ATOM 0 HD23 LEU B 196 0.179 -4.700 5.749 1.00 63.35 H new ATOM 1235 N GLN B 197 0.923 -6.047 10.349 1.00 54.12 N ATOM 1236 CA GLN B 197 1.608 -7.052 11.106 1.00 1.52 C ATOM 1237 C GLN B 197 1.368 -6.841 12.580 1.00 14.31 C ATOM 1238 O GLN B 197 1.179 -5.703 13.023 1.00 23.34 O ATOM 1239 CB GLN B 197 3.110 -7.097 10.844 1.00 12.04 C ATOM 1240 CG GLN B 197 3.507 -7.493 9.442 1.00 14.33 C ATOM 1241 CD GLN B 197 4.980 -7.804 9.351 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.809 -6.932 9.110 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.324 -9.050 9.538 1.00 34.25 N ATOM 0 H GLN B 197 1.534 -5.386 9.870 1.00 54.12 H new ATOM 0 HA GLN B 197 1.199 -8.008 10.780 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.530 -6.114 11.059 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.564 -7.798 11.545 1.00 12.04 H new ATOM 0 HG2 GLN B 197 2.930 -8.364 9.132 1.00 14.33 H new ATOM 0 HG3 GLN B 197 3.261 -6.686 8.752 1.00 14.33 H new ATOM 0 HE21 GLN B 197 4.611 -9.752 9.737 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.306 -9.321 9.485 1.00 34.25 H new ATOM 1252 N SER B 198 1.353 -7.904 13.335 1.00 33.54 N ATOM 1253 CA SER B 198 1.161 -7.778 14.748 1.00 12.43 C ATOM 1254 C SER B 198 2.508 -7.478 15.391 1.00 1.54 C ATOM 1255 O SER B 198 3.509 -8.161 15.105 1.00 24.20 O ATOM 1256 CB SER B 198 0.555 -9.061 15.298 1.00 25.00 C ATOM 1257 OG SER B 198 -0.606 -9.413 14.545 1.00 4.45 O ATOM 0 H SER B 198 1.471 -8.859 12.997 1.00 33.54 H new ATOM 0 HA SER B 198 0.472 -6.964 14.974 1.00 12.43 H new ATOM 0 HB2 SER B 198 1.287 -9.868 15.252 1.00 25.00 H new ATOM 0 HB3 SER B 198 0.292 -8.928 16.347 1.00 25.00 H new ATOM 0 HG SER B 198 -0.990 -10.240 14.903 1.00 4.45 H new ATOM 1263 N HIS B 199 2.536 -6.461 16.216 1.00 64.41 N ATOM 1264 CA HIS B 199 3.746 -6.008 16.863 1.00 72.30 C ATOM 1265 C HIS B 199 3.373 -5.142 18.056 1.00 63.44 C ATOM 1266 O HIS B 199 3.223 -3.924 17.891 1.00 64.51 O ATOM 1267 CB HIS B 199 4.606 -5.207 15.866 1.00 55.12 C ATOM 1268 CG HIS B 199 5.895 -4.686 16.430 1.00 44.44 C ATOM 1269 ND1 HIS B 199 6.009 -3.439 16.984 1.00 1.01 N ATOM 1270 CD2 HIS B 199 7.119 -5.248 16.518 1.00 11.40 C ATOM 1271 CE1 HIS B 199 7.239 -3.249 17.389 1.00 1.32 C ATOM 1272 NE2 HIS B 199 7.939 -4.333 17.120 1.00 12.31 N ATOM 0 H HIS B 199 1.709 -5.916 16.461 1.00 64.41 H new ATOM 0 HA HIS B 199 4.326 -6.865 17.206 1.00 72.30 H new ATOM 0 HB2 HIS B 199 4.830 -5.841 15.008 1.00 55.12 H new ATOM 0 HB3 HIS B 199 4.020 -4.366 15.496 1.00 55.12 H new ATOM 0 HD2 HIS B 199 7.398 -6.234 16.177 1.00 11.40 H new ATOM 0 HE1 HIS B 199 7.617 -2.355 17.863 1.00 1.32 H new ATOM 0 HE2 HIS B 199 8.929 -4.468 17.327 1.00 12.31 H new