USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 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 178 GLN : amide:sc= -0.37 X(o=-0.61,f=-1) USER MOD Set 1.2: B 186 GLN : amide:sc= -0.239 K(o=-0.61,f=-1.2) USER MOD Set 2.1: B 138 SER OG : rot -104:sc= -1.49! USER MOD Set 2.2: B 140 ASN :FLIP amide:sc= -8.58! C(o=-17!,f=-10!) USER MOD Single : B 134 GLN :FLIP amide:sc= -0.283 F(o=-0.95,f=-0.28) USER MOD Single : B 137 SER OG : rot -36:sc= -0.11 USER MOD Single : B 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 145 GLN : amide:sc= -6.84! C(o=-6.8!,f=-8.6!) USER MOD Single : B 152 SER OG : rot 146:sc= 1.23 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 156 SER OG : rot 28:sc= 0.895 USER MOD Single : B 159 ASN : amide:sc= -0.492 K(o=-0.49,f=-3.5!) USER MOD Single : B 161 GLN : amide:sc= 0.0871! C(o=0.087!,f=-9.2!) USER MOD Single : B 162 LYS NZ :NH3+ 155:sc= 1.29 (180deg=0.92) USER MOD Single : B 163 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 166 LYS NZ :NH3+ -137:sc= -0.307 (180deg=-0.993) USER MOD Single : B 173 LYS NZ :NH3+ -169:sc= 2.05 (180deg=1.8) USER MOD Single : B 176 GLN : amide:sc= -0.0457 X(o=-0.046,f=-0.45) USER MOD Single : B 179 SER OG : rot -45:sc= 0.0124 USER MOD Single : B 180 HIS : no HE2:sc= -0.343 K(o=-0.34,f=-3.8!) USER MOD Single : B 182 ASN : amide:sc= -0.156 K(o=-0.16,f=-10!) USER MOD Single : B 184 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0455) USER MOD Single : B 187 LYS NZ :NH3+ -144:sc= 0.507 (180deg=-1.58!) USER MOD Single : B 190 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 197 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc=-0.00187 X(o=-0.0019,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -12.749 -1.665 2.241 1.00 55.53 N ATOM 177 CA LEU B 129 -12.891 -2.394 0.996 1.00 45.21 C ATOM 178 C LEU B 129 -11.510 -2.579 0.381 1.00 33.52 C ATOM 179 O LEU B 129 -10.653 -1.723 0.564 1.00 22.43 O ATOM 180 CB LEU B 129 -13.756 -1.578 0.010 1.00 71.14 C ATOM 181 CG LEU B 129 -15.201 -1.263 0.426 1.00 72.10 C ATOM 182 CD1 LEU B 129 -15.847 -0.339 -0.590 1.00 71.02 C ATOM 183 CD2 LEU B 129 -16.017 -2.542 0.557 1.00 45.41 C ATOM 0 HA LEU B 129 -13.362 -3.358 1.190 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -13.247 -0.633 -0.181 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -13.789 -2.119 -0.936 1.00 71.14 H new ATOM 0 HG LEU B 129 -15.177 -0.767 1.397 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -16.871 -0.122 -0.285 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -15.281 0.591 -0.648 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -15.854 -0.821 -1.568 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -17.037 -2.294 0.852 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -16.033 -3.063 -0.400 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -15.566 -3.185 1.313 1.00 45.41 H new ATOM 195 N PRO B 130 -11.263 -3.683 -0.371 1.00 0.32 N ATOM 196 CA PRO B 130 -9.974 -3.933 -1.068 1.00 63.11 C ATOM 197 C PRO B 130 -9.572 -2.800 -1.997 1.00 21.50 C ATOM 198 O PRO B 130 -8.416 -2.654 -2.325 1.00 1.14 O ATOM 199 CB PRO B 130 -10.275 -5.165 -1.906 1.00 74.52 C ATOM 200 CG PRO B 130 -11.292 -5.882 -1.114 1.00 3.43 C ATOM 201 CD PRO B 130 -12.194 -4.802 -0.601 1.00 14.32 C ATOM 0 HA PRO B 130 -9.154 -4.039 -0.357 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.651 -4.897 -2.893 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.384 -5.773 -2.059 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -11.839 -6.599 -1.726 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.837 -6.442 -0.297 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.967 -4.543 -1.324 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.702 -5.101 0.316 1.00 14.32 H new ATOM 209 N ALA B 131 -10.526 -1.986 -2.390 1.00 12.31 N ATOM 210 CA ALA B 131 -10.272 -0.865 -3.279 1.00 41.31 C ATOM 211 C ALA B 131 -9.223 0.106 -2.705 1.00 3.12 C ATOM 212 O ALA B 131 -8.540 0.793 -3.456 1.00 52.45 O ATOM 213 CB ALA B 131 -11.562 -0.146 -3.611 1.00 12.14 C ATOM 0 H ALA B 131 -11.501 -2.079 -2.105 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.855 -1.268 -4.202 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.351 0.690 -4.278 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.248 -0.837 -4.101 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -12.017 0.227 -2.694 1.00 12.14 H new ATOM 219 N LEU B 132 -9.080 0.130 -1.377 1.00 31.23 N ATOM 220 CA LEU B 132 -8.080 0.974 -0.733 1.00 71.30 C ATOM 221 C LEU B 132 -6.672 0.402 -0.964 1.00 32.55 C ATOM 222 O LEU B 132 -5.696 1.125 -1.041 1.00 34.51 O ATOM 223 CB LEU B 132 -8.405 1.156 0.797 1.00 34.00 C ATOM 224 CG LEU B 132 -8.426 -0.106 1.716 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.032 -0.595 2.099 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.261 0.138 2.958 1.00 65.03 C ATOM 0 H LEU B 132 -9.643 -0.424 -0.732 1.00 31.23 H new ATOM 0 HA LEU B 132 -8.108 1.966 -1.184 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.675 1.852 1.209 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.381 1.636 0.872 1.00 34.00 H new ATOM 0 HG LEU B 132 -8.886 -0.900 1.127 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.118 -1.474 2.738 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.477 -0.854 1.197 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.505 0.194 2.636 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.258 -0.757 3.580 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -8.841 0.972 3.521 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.285 0.375 2.668 1.00 65.03 H new ATOM 238 N VAL B 133 -6.594 -0.910 -1.053 1.00 20.30 N ATOM 239 CA VAL B 133 -5.332 -1.594 -1.215 1.00 2.44 C ATOM 240 C VAL B 133 -4.919 -1.674 -2.664 1.00 41.43 C ATOM 241 O VAL B 133 -3.756 -1.798 -2.977 1.00 11.14 O ATOM 242 CB VAL B 133 -5.382 -3.012 -0.606 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.885 -4.045 -1.538 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.090 -3.420 -0.023 1.00 60.04 C ATOM 0 H VAL B 133 -7.404 -1.529 -1.015 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.586 -1.007 -0.680 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.111 -2.940 0.201 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.891 -5.014 -1.039 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.898 -3.791 -1.850 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.237 -4.092 -2.413 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.179 -4.424 0.392 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.323 -3.414 -0.798 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -3.812 -2.724 0.768 1.00 60.04 H new ATOM 254 N GLN B 134 -5.896 -1.627 -3.528 1.00 51.03 N ATOM 255 CA GLN B 134 -5.695 -1.866 -4.950 1.00 1.43 C ATOM 256 C GLN B 134 -4.589 -1.009 -5.574 1.00 10.22 C ATOM 257 O GLN B 134 -3.740 -1.512 -6.329 1.00 3.33 O ATOM 258 CB GLN B 134 -6.993 -1.760 -5.744 1.00 62.21 C ATOM 259 CG GLN B 134 -7.982 -2.856 -5.421 1.00 72.32 C ATOM 260 CD GLN B 134 -7.465 -4.252 -5.748 1.00 12.24 C ATOM 261 OE1 GLN B 134 -6.703 -4.379 -6.805 1.00 42.42 O flip ATOM 262 NE2 GLN B 134 -7.796 -5.222 -5.069 1.00 42.35 N flip ATOM 0 H GLN B 134 -6.862 -1.422 -3.274 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.348 -2.897 -5.014 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.455 -0.793 -5.545 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.763 -1.790 -6.809 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.233 -2.808 -4.361 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.904 -2.679 -5.975 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.391 -5.093 -4.251 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -7.476 -6.156 -5.324 1.00 42.35 H new ATOM 271 N LEU B 135 -4.570 0.246 -5.201 1.00 31.00 N ATOM 272 CA LEU B 135 -3.585 1.216 -5.674 1.00 53.40 C ATOM 273 C LEU B 135 -2.145 0.814 -5.330 1.00 44.52 C ATOM 274 O LEU B 135 -1.223 1.177 -6.034 1.00 61.22 O ATOM 275 CB LEU B 135 -3.894 2.622 -5.130 1.00 12.34 C ATOM 276 CG LEU B 135 -4.443 2.674 -3.695 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.914 3.885 -2.962 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.969 2.743 -3.737 1.00 52.53 C ATOM 0 H LEU B 135 -5.247 0.640 -4.548 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.662 1.231 -6.761 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.982 3.217 -5.172 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.616 3.098 -5.793 1.00 12.34 H new ATOM 0 HG LEU B 135 -4.121 1.775 -3.169 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -4.316 3.901 -1.949 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.826 3.838 -2.920 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.218 4.790 -3.488 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -6.360 2.780 -2.720 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.278 3.638 -4.277 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -6.359 1.860 -4.244 1.00 52.53 H new ATOM 290 N LEU B 136 -1.984 0.012 -4.294 1.00 21.22 N ATOM 291 CA LEU B 136 -0.702 -0.437 -3.811 1.00 44.41 C ATOM 292 C LEU B 136 -0.048 -1.447 -4.747 1.00 40.11 C ATOM 293 O LEU B 136 1.143 -1.641 -4.706 1.00 61.31 O ATOM 294 CB LEU B 136 -0.925 -1.059 -2.453 1.00 1.14 C ATOM 295 CG LEU B 136 -0.748 -0.181 -1.214 1.00 52.41 C ATOM 296 CD1 LEU B 136 -1.116 -0.962 0.037 1.00 41.23 C ATOM 297 CD2 LEU B 136 0.687 0.324 -1.110 1.00 34.05 C ATOM 0 H LEU B 136 -2.768 -0.353 -3.753 1.00 21.22 H new ATOM 0 HA LEU B 136 -0.024 0.414 -3.755 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.938 -1.460 -2.434 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.245 -1.906 -2.360 1.00 1.14 H new ATOM 0 HG LEU B 136 -1.411 0.679 -1.306 1.00 52.41 H new ATOM 0 HD11 LEU B 136 -0.986 -0.327 0.914 1.00 41.23 H new ATOM 0 HD12 LEU B 136 -2.155 -1.284 -0.027 1.00 41.23 H new ATOM 0 HD13 LEU B 136 -0.470 -1.836 0.123 1.00 41.23 H new ATOM 0 HD21 LEU B 136 0.790 0.947 -0.221 1.00 34.05 H new ATOM 0 HD22 LEU B 136 1.367 -0.525 -1.039 1.00 34.05 H new ATOM 0 HD23 LEU B 136 0.931 0.912 -1.995 1.00 34.05 H new ATOM 309 N SER B 137 -0.820 -2.081 -5.582 1.00 11.45 N ATOM 310 CA SER B 137 -0.258 -3.072 -6.472 1.00 2.00 C ATOM 311 C SER B 137 -0.326 -2.591 -7.926 1.00 23.45 C ATOM 312 O SER B 137 -0.132 -3.375 -8.873 1.00 1.12 O ATOM 313 CB SER B 137 -0.987 -4.421 -6.276 1.00 70.13 C ATOM 314 OG SER B 137 -0.606 -5.423 -7.203 1.00 44.15 O ATOM 0 H SER B 137 -1.826 -1.937 -5.670 1.00 11.45 H new ATOM 0 HA SER B 137 0.795 -3.219 -6.232 1.00 2.00 H new ATOM 0 HB2 SER B 137 -0.794 -4.783 -5.266 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.062 -4.256 -6.356 1.00 70.13 H new ATOM 0 HG SER B 137 -0.442 -5.014 -8.078 1.00 44.15 H new ATOM 320 N SER B 138 -0.571 -1.310 -8.102 1.00 30.13 N ATOM 321 CA SER B 138 -0.698 -0.735 -9.388 1.00 70.24 C ATOM 322 C SER B 138 0.710 -0.672 -10.065 1.00 64.22 C ATOM 323 O SER B 138 1.743 -0.661 -9.371 1.00 31.04 O ATOM 324 CB SER B 138 -1.306 0.655 -9.183 1.00 65.30 C ATOM 325 OG SER B 138 -0.386 1.530 -8.621 1.00 2.10 O ATOM 0 H SER B 138 -0.686 -0.647 -7.336 1.00 30.13 H new ATOM 0 HA SER B 138 -1.339 -1.320 -10.047 1.00 70.24 H new ATOM 0 HB2 SER B 138 -1.649 1.049 -10.140 1.00 65.30 H new ATOM 0 HB3 SER B 138 -2.181 0.580 -8.537 1.00 65.30 H new ATOM 0 HG SER B 138 -0.594 1.659 -7.672 1.00 2.10 H new ATOM 331 N PRO B 139 0.775 -0.687 -11.409 1.00 3.54 N ATOM 332 CA PRO B 139 2.068 -0.610 -12.166 1.00 24.41 C ATOM 333 C PRO B 139 2.601 0.827 -12.150 1.00 3.55 C ATOM 334 O PRO B 139 3.801 1.105 -12.198 1.00 33.11 O ATOM 335 CB PRO B 139 1.603 -0.872 -13.607 1.00 51.14 C ATOM 336 CG PRO B 139 0.221 -0.319 -13.588 1.00 12.24 C ATOM 337 CD PRO B 139 -0.376 -0.824 -12.335 1.00 64.24 C ATOM 0 HA PRO B 139 2.832 -1.279 -11.771 1.00 24.41 H new ATOM 0 HB2 PRO B 139 2.235 -0.368 -14.338 1.00 51.14 H new ATOM 0 HB3 PRO B 139 1.615 -1.934 -13.854 1.00 51.14 H new ATOM 0 HG2 PRO B 139 0.232 0.771 -13.609 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -0.348 -0.649 -14.457 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -1.235 -0.233 -12.018 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.715 -1.856 -12.424 1.00 64.24 H new ATOM 345 N ASN B 140 1.649 1.701 -12.118 1.00 23.02 N ATOM 346 CA ASN B 140 1.749 3.053 -12.229 1.00 20.23 C ATOM 347 C ASN B 140 2.035 3.656 -10.906 1.00 43.12 C ATOM 348 O ASN B 140 1.127 4.018 -10.191 1.00 34.53 O ATOM 349 CB ASN B 140 0.437 3.584 -12.921 1.00 62.14 C ATOM 350 CG ASN B 140 -0.822 2.737 -12.752 1.00 24.03 C ATOM 351 OD1 ASN B 140 -1.042 2.169 -11.653 1.00 54.34 O flip ATOM 352 ND2 ASN B 140 -1.623 2.659 -13.659 1.00 42.30 N flip ATOM 0 H ASN B 140 0.679 1.409 -11.997 1.00 23.02 H new ATOM 0 HA ASN B 140 2.588 3.347 -12.859 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.229 4.582 -12.535 1.00 62.14 H new ATOM 0 HB3 ASN B 140 0.635 3.690 -13.988 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -1.435 3.124 -14.547 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -2.485 2.129 -13.534 1.00 42.30 H new ATOM 359 N GLU B 141 3.338 3.711 -10.571 1.00 73.15 N ATOM 360 CA GLU B 141 3.831 4.233 -9.287 1.00 45.35 C ATOM 361 C GLU B 141 3.331 5.622 -9.079 1.00 73.44 C ATOM 362 O GLU B 141 3.018 6.040 -7.963 1.00 64.43 O ATOM 363 CB GLU B 141 5.343 4.316 -9.263 1.00 72.42 C ATOM 364 CG GLU B 141 6.083 3.046 -9.521 1.00 31.50 C ATOM 365 CD GLU B 141 7.525 3.203 -9.137 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.276 3.847 -9.873 1.00 72.31 O ATOM 367 OE2 GLU B 141 7.915 2.717 -8.064 1.00 2.24 O1- ATOM 0 H GLU B 141 4.082 3.391 -11.191 1.00 73.15 H new ATOM 0 HA GLU B 141 3.477 3.552 -8.513 1.00 45.35 H new ATOM 0 HB2 GLU B 141 5.656 5.050 -10.005 1.00 72.42 H new ATOM 0 HB3 GLU B 141 5.648 4.697 -8.289 1.00 72.42 H new ATOM 0 HG2 GLU B 141 5.634 2.232 -8.952 1.00 31.50 H new ATOM 0 HG3 GLU B 141 6.006 2.779 -10.575 1.00 31.50 H new ATOM 374 N GLN B 142 3.273 6.328 -10.172 1.00 51.13 N ATOM 375 CA GLN B 142 2.840 7.679 -10.199 1.00 31.54 C ATOM 376 C GLN B 142 1.420 7.791 -9.681 1.00 51.24 C ATOM 377 O GLN B 142 1.171 8.514 -8.727 1.00 5.41 O ATOM 378 CB GLN B 142 2.977 8.228 -11.613 1.00 3.13 C ATOM 379 CG GLN B 142 4.404 8.146 -12.135 1.00 43.42 C ATOM 380 CD GLN B 142 4.550 8.609 -13.565 1.00 72.43 C ATOM 381 OE1 GLN B 142 4.427 7.816 -14.501 1.00 44.11 O ATOM 382 NE2 GLN B 142 4.813 9.869 -13.751 1.00 63.34 N ATOM 0 H GLN B 142 3.534 5.962 -11.088 1.00 51.13 H new ATOM 0 HA GLN B 142 3.468 8.279 -9.541 1.00 31.54 H new ATOM 0 HB2 GLN B 142 2.317 7.673 -12.280 1.00 3.13 H new ATOM 0 HB3 GLN B 142 2.647 9.267 -11.629 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.051 8.750 -11.498 1.00 43.42 H new ATOM 0 HG3 GLN B 142 4.752 7.116 -12.058 1.00 43.42 H new ATOM 0 HE21 GLN B 142 4.907 10.494 -12.950 1.00 63.34 H new ATOM 0 HE22 GLN B 142 4.925 10.232 -14.698 1.00 63.34 H new ATOM 391 N ILE B 143 0.502 7.011 -10.240 1.00 34.31 N ATOM 392 CA ILE B 143 -0.878 7.118 -9.792 1.00 21.53 C ATOM 393 C ILE B 143 -1.067 6.380 -8.457 1.00 1.45 C ATOM 394 O ILE B 143 -1.932 6.735 -7.658 1.00 53.35 O ATOM 395 CB ILE B 143 -1.880 6.663 -10.897 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.802 5.223 -11.174 1.00 73.10 C ATOM 397 CG2 ILE B 143 -1.534 7.334 -12.183 1.00 44.30 C ATOM 398 CD1 ILE B 143 -2.600 4.290 -10.330 1.00 51.44 C ATOM 0 H ILE B 143 0.677 6.325 -10.974 1.00 34.31 H new ATOM 0 HA ILE B 143 -1.105 8.168 -9.608 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.874 6.919 -10.530 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -2.101 5.069 -12.211 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.756 4.927 -11.096 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -2.233 7.018 -12.958 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.596 8.415 -12.058 1.00 44.30 H new ATOM 0 HG23 ILE B 143 -0.520 7.060 -12.475 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -2.433 3.265 -10.662 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -2.293 4.389 -9.289 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.659 4.532 -10.421 1.00 51.44 H new ATOM 410 N LEU B 144 -0.223 5.355 -8.247 1.00 55.31 N ATOM 411 CA LEU B 144 -0.154 4.577 -7.011 1.00 51.23 C ATOM 412 C LEU B 144 -0.026 5.542 -5.831 1.00 35.13 C ATOM 413 O LEU B 144 -0.882 5.582 -4.952 1.00 44.33 O ATOM 414 CB LEU B 144 1.087 3.624 -7.101 1.00 3.21 C ATOM 415 CG LEU B 144 1.452 2.735 -5.892 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.946 1.360 -6.368 1.00 13.41 C ATOM 417 CD2 LEU B 144 2.564 3.387 -5.106 1.00 24.12 C ATOM 0 H LEU B 144 0.444 5.042 -8.953 1.00 55.31 H new ATOM 0 HA LEU B 144 -1.052 3.976 -6.869 1.00 51.23 H new ATOM 0 HB2 LEU B 144 0.932 2.966 -7.956 1.00 3.21 H new ATOM 0 HB3 LEU B 144 1.957 4.241 -7.327 1.00 3.21 H new ATOM 0 HG LEU B 144 0.563 2.613 -5.273 1.00 52.24 H new ATOM 0 HD11 LEU B 144 2.199 0.745 -5.504 1.00 13.41 H new ATOM 0 HD12 LEU B 144 1.161 0.871 -6.944 1.00 13.41 H new ATOM 0 HD13 LEU B 144 2.829 1.487 -6.994 1.00 13.41 H new ATOM 0 HD21 LEU B 144 2.822 2.760 -4.252 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.439 3.508 -5.745 1.00 24.12 H new ATOM 0 HD23 LEU B 144 2.235 4.364 -4.752 1.00 24.12 H new ATOM 429 N GLN B 145 0.999 6.379 -5.884 1.00 62.02 N ATOM 430 CA GLN B 145 1.268 7.348 -4.840 1.00 14.14 C ATOM 431 C GLN B 145 0.268 8.474 -4.809 1.00 53.32 C ATOM 432 O GLN B 145 -0.101 8.954 -3.724 1.00 13.44 O ATOM 433 CB GLN B 145 2.666 7.884 -4.968 1.00 31.14 C ATOM 434 CG GLN B 145 3.699 6.858 -4.619 1.00 35.44 C ATOM 435 CD GLN B 145 3.690 6.474 -3.144 1.00 5.04 C ATOM 436 OE1 GLN B 145 4.023 5.362 -2.784 1.00 4.41 O ATOM 437 NE2 GLN B 145 3.347 7.398 -2.283 1.00 60.40 N ATOM 0 H GLN B 145 1.667 6.403 -6.655 1.00 62.02 H new ATOM 0 HA GLN B 145 1.170 6.821 -3.891 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.829 8.229 -5.989 1.00 31.14 H new ATOM 0 HB3 GLN B 145 2.782 8.750 -4.317 1.00 31.14 H new ATOM 0 HG2 GLN B 145 3.533 5.965 -5.221 1.00 35.44 H new ATOM 0 HG3 GLN B 145 4.685 7.241 -4.882 1.00 35.44 H new ATOM 0 HE21 GLN B 145 3.071 8.324 -2.611 1.00 60.40 H new ATOM 0 HE22 GLN B 145 3.355 7.192 -1.284 1.00 60.40 H new ATOM 446 N GLU B 146 -0.179 8.902 -5.969 1.00 55.14 N ATOM 447 CA GLU B 146 -1.173 9.956 -6.039 1.00 32.43 C ATOM 448 C GLU B 146 -2.499 9.535 -5.396 1.00 61.02 C ATOM 449 O GLU B 146 -3.267 10.374 -4.903 1.00 62.21 O ATOM 450 CB GLU B 146 -1.393 10.456 -7.454 1.00 61.15 C ATOM 451 CG GLU B 146 -0.227 11.215 -8.055 1.00 73.43 C ATOM 452 CD GLU B 146 -0.584 11.835 -9.382 1.00 74.32 C ATOM 453 OE1 GLU B 146 -1.729 12.287 -9.544 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 0.275 11.889 -10.298 1.00 3.34 O ATOM 0 H GLU B 146 0.126 8.541 -6.873 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.770 10.789 -5.462 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.620 9.603 -8.093 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -2.271 11.102 -7.462 1.00 61.15 H new ATOM 0 HG2 GLU B 146 0.093 11.995 -7.364 1.00 73.43 H new ATOM 0 HG3 GLU B 146 0.618 10.539 -8.186 1.00 73.43 H new ATOM 461 N ALA B 147 -2.798 8.257 -5.428 1.00 15.44 N ATOM 462 CA ALA B 147 -3.952 7.771 -4.716 1.00 72.45 C ATOM 463 C ALA B 147 -3.606 7.513 -3.263 1.00 11.52 C ATOM 464 O ALA B 147 -4.391 7.850 -2.364 1.00 71.22 O ATOM 465 CB ALA B 147 -4.535 6.535 -5.346 1.00 4.23 C ATOM 0 H ALA B 147 -2.267 7.547 -5.931 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.715 8.548 -4.770 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.402 6.209 -4.772 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.839 6.757 -6.369 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.786 5.743 -5.354 1.00 4.23 H new ATOM 471 N LEU B 148 -2.414 6.956 -3.025 1.00 50.13 N ATOM 472 CA LEU B 148 -1.941 6.632 -1.680 1.00 10.21 C ATOM 473 C LEU B 148 -1.954 7.819 -0.780 1.00 72.25 C ATOM 474 O LEU B 148 -2.165 7.670 0.379 1.00 11.01 O ATOM 475 CB LEU B 148 -0.524 6.089 -1.684 1.00 24.22 C ATOM 476 CG LEU B 148 -0.307 4.638 -2.073 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.178 4.360 -2.138 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.949 3.716 -1.046 1.00 53.12 C ATOM 0 H LEU B 148 -1.751 6.718 -3.762 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.632 5.873 -1.314 1.00 10.21 H new ATOM 0 HB2 LEU B 148 0.066 6.706 -2.362 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.112 6.230 -0.685 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.764 4.456 -3.046 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.341 3.319 -2.417 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.638 5.011 -2.881 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.627 4.549 -1.163 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.786 2.678 -1.337 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.502 3.893 -0.068 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -2.019 3.915 -0.997 1.00 53.12 H new ATOM 490 N TRP B 149 -1.734 8.988 -1.341 1.00 72.11 N ATOM 491 CA TRP B 149 -1.698 10.245 -0.590 1.00 73.33 C ATOM 492 C TRP B 149 -2.882 10.313 0.380 1.00 33.51 C ATOM 493 O TRP B 149 -2.718 10.595 1.565 1.00 12.44 O ATOM 494 CB TRP B 149 -1.769 11.412 -1.566 1.00 5.20 C ATOM 495 CG TRP B 149 -1.368 12.740 -0.988 1.00 21.45 C ATOM 496 CD1 TRP B 149 -0.135 13.310 -1.057 1.00 14.14 C ATOM 497 CD2 TRP B 149 -2.195 13.665 -0.257 1.00 64.10 C ATOM 498 NE1 TRP B 149 -0.141 14.524 -0.425 1.00 44.31 N ATOM 499 CE2 TRP B 149 -1.387 14.765 0.076 1.00 41.22 C ATOM 500 CE3 TRP B 149 -3.537 13.670 0.148 1.00 50.34 C ATOM 501 CZ2 TRP B 149 -1.870 15.859 0.787 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -4.013 14.756 0.855 1.00 0.00 C ATOM 503 CH2 TRP B 149 -3.182 15.835 1.169 1.00 21.30 C ATOM 0 H TRP B 149 -1.572 9.104 -2.341 1.00 72.11 H new ATOM 0 HA TRP B 149 -0.771 10.297 -0.019 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -1.127 11.194 -2.419 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -2.788 11.489 -1.945 1.00 5.20 H new ATOM 0 HD1 TRP B 149 0.724 12.869 -1.540 1.00 14.14 H new ATOM 0 HE1 TRP B 149 0.660 15.150 -0.342 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -4.186 12.840 -0.089 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 -1.232 16.696 1.028 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -5.046 14.772 1.171 1.00 0.00 H new ATOM 0 HH2 TRP B 149 -3.585 16.668 1.726 1.00 21.30 H new ATOM 514 N ALA B 150 -4.051 10.000 -0.125 1.00 4.41 N ATOM 515 CA ALA B 150 -5.229 9.986 0.689 1.00 55.10 C ATOM 516 C ALA B 150 -5.391 8.632 1.395 1.00 74.03 C ATOM 517 O ALA B 150 -5.611 8.568 2.606 1.00 33.30 O ATOM 518 CB ALA B 150 -6.455 10.303 -0.149 1.00 15.21 C ATOM 0 H ALA B 150 -4.206 9.751 -1.102 1.00 4.41 H new ATOM 0 HA ALA B 150 -5.124 10.755 1.455 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -7.342 10.288 0.484 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -6.345 11.291 -0.596 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -6.560 9.557 -0.937 1.00 15.21 H new ATOM 524 N LEU B 151 -5.224 7.557 0.633 1.00 70.43 N ATOM 525 CA LEU B 151 -5.500 6.182 1.107 1.00 60.43 C ATOM 526 C LEU B 151 -4.518 5.644 2.159 1.00 0.01 C ATOM 527 O LEU B 151 -4.845 4.731 2.896 1.00 1.42 O ATOM 528 CB LEU B 151 -5.592 5.225 -0.077 1.00 30.21 C ATOM 529 CG LEU B 151 -6.886 5.256 -0.921 1.00 35.52 C ATOM 530 CD1 LEU B 151 -8.087 4.795 -0.109 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.159 6.633 -1.513 1.00 54.11 C ATOM 0 H LEU B 151 -4.894 7.601 -0.331 1.00 70.43 H new ATOM 0 HA LEU B 151 -6.458 6.243 1.623 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -4.752 5.430 -0.741 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.460 4.211 0.299 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.729 4.562 -1.747 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -8.981 4.828 -0.731 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -7.923 3.774 0.236 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.219 5.452 0.751 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.079 6.602 -2.097 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.264 7.361 -0.708 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.329 6.923 -2.158 1.00 54.11 H new ATOM 543 N SER B 152 -3.352 6.228 2.239 1.00 60.31 N ATOM 544 CA SER B 152 -2.305 5.831 3.178 1.00 74.51 C ATOM 545 C SER B 152 -2.802 6.005 4.646 1.00 11.20 C ATOM 546 O SER B 152 -2.331 5.342 5.573 1.00 33.33 O ATOM 547 CB SER B 152 -1.028 6.660 2.852 1.00 21.44 C ATOM 548 OG SER B 152 0.108 6.290 3.614 1.00 22.11 O ATOM 0 H SER B 152 -3.085 7.013 1.644 1.00 60.31 H new ATOM 0 HA SER B 152 -2.057 4.775 3.075 1.00 74.51 H new ATOM 0 HB2 SER B 152 -0.795 6.548 1.793 1.00 21.44 H new ATOM 0 HB3 SER B 152 -1.239 7.716 3.022 1.00 21.44 H new ATOM 0 HG SER B 152 0.916 6.399 3.070 1.00 22.11 H new ATOM 554 N ASN B 153 -3.815 6.864 4.809 1.00 64.24 N ATOM 555 CA ASN B 153 -4.470 7.138 6.098 1.00 44.31 C ATOM 556 C ASN B 153 -5.024 5.870 6.734 1.00 64.55 C ATOM 557 O ASN B 153 -5.009 5.724 7.955 1.00 64.23 O ATOM 558 CB ASN B 153 -5.611 8.131 5.880 1.00 63.41 C ATOM 559 CG ASN B 153 -6.405 8.446 7.148 1.00 23.31 C ATOM 560 OD1 ASN B 153 -6.019 9.305 7.942 1.00 40.43 O ATOM 561 ND2 ASN B 153 -7.546 7.822 7.307 1.00 50.30 N ATOM 0 H ASN B 153 -4.211 7.399 4.036 1.00 64.24 H new ATOM 0 HA ASN B 153 -3.722 7.553 6.774 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -5.202 9.058 5.479 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -6.290 7.730 5.127 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -8.141 8.043 8.105 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -7.839 7.115 6.633 1.00 50.30 H new ATOM 568 N ILE B 154 -5.493 4.969 5.886 1.00 75.13 N ATOM 569 CA ILE B 154 -6.099 3.685 6.303 1.00 55.41 C ATOM 570 C ILE B 154 -5.221 2.931 7.316 1.00 43.23 C ATOM 571 O ILE B 154 -5.701 2.507 8.370 1.00 31.12 O ATOM 572 CB ILE B 154 -6.362 2.742 5.080 1.00 3.11 C ATOM 573 CG1 ILE B 154 -7.363 3.362 4.080 1.00 50.30 C ATOM 574 CG2 ILE B 154 -6.842 1.362 5.538 1.00 43.33 C ATOM 575 CD1 ILE B 154 -8.765 3.558 4.614 1.00 21.43 C ATOM 0 H ILE B 154 -5.470 5.097 4.874 1.00 75.13 H new ATOM 0 HA ILE B 154 -7.047 3.947 6.774 1.00 55.41 H new ATOM 0 HB ILE B 154 -5.411 2.620 4.562 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -6.977 4.328 3.754 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -7.413 2.725 3.197 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -7.016 0.730 4.667 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -6.083 0.905 6.172 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -7.769 1.468 6.101 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -9.392 3.998 3.838 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.179 2.595 4.912 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -8.736 4.223 5.477 1.00 21.43 H new ATOM 587 N ALA B 155 -3.956 2.773 6.998 1.00 10.31 N ATOM 588 CA ALA B 155 -3.075 2.013 7.856 1.00 14.12 C ATOM 589 C ALA B 155 -2.502 2.865 8.988 1.00 64.41 C ATOM 590 O ALA B 155 -2.385 2.398 10.132 1.00 71.04 O ATOM 591 CB ALA B 155 -1.981 1.347 7.041 1.00 41.11 C ATOM 0 H ALA B 155 -3.517 3.156 6.161 1.00 10.31 H new ATOM 0 HA ALA B 155 -3.666 1.229 8.330 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -1.328 0.780 7.704 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -2.430 0.674 6.311 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -1.399 2.109 6.523 1.00 41.11 H new ATOM 597 N SER B 156 -2.191 4.115 8.682 1.00 4.52 N ATOM 598 CA SER B 156 -1.605 5.036 9.643 1.00 54.22 C ATOM 599 C SER B 156 -2.568 5.365 10.791 1.00 33.11 C ATOM 600 O SER B 156 -2.150 5.570 11.941 1.00 31.14 O ATOM 601 CB SER B 156 -1.196 6.316 8.934 1.00 51.15 C ATOM 602 OG SER B 156 -0.319 6.045 7.857 1.00 71.21 O ATOM 0 H SER B 156 -2.338 4.520 7.758 1.00 4.52 H new ATOM 0 HA SER B 156 -0.732 4.550 10.078 1.00 54.22 H new ATOM 0 HB2 SER B 156 -2.083 6.830 8.564 1.00 51.15 H new ATOM 0 HB3 SER B 156 -0.711 6.988 9.642 1.00 51.15 H new ATOM 0 HG SER B 156 -0.499 5.148 7.507 1.00 71.21 H new ATOM 608 N GLY B 157 -3.830 5.420 10.488 1.00 64.35 N ATOM 609 CA GLY B 157 -4.811 5.731 11.481 1.00 65.32 C ATOM 610 C GLY B 157 -5.981 4.826 11.342 1.00 30.23 C ATOM 611 O GLY B 157 -7.092 5.260 11.021 1.00 41.22 O ATOM 0 H GLY B 157 -4.205 5.252 9.555 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -4.378 5.629 12.476 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -5.129 6.768 11.377 1.00 65.32 H new ATOM 615 N GLY B 158 -5.759 3.572 11.576 1.00 4.51 N ATOM 616 CA GLY B 158 -6.785 2.633 11.359 1.00 1.13 C ATOM 617 C GLY B 158 -6.985 1.659 12.478 1.00 32.24 C ATOM 618 O GLY B 158 -6.162 1.538 13.390 1.00 23.13 O ATOM 0 H GLY B 158 -4.878 3.187 11.915 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -7.719 3.168 11.189 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -6.565 2.078 10.447 1.00 1.13 H new ATOM 622 N ASN B 159 -8.105 1.010 12.405 1.00 23.14 N ATOM 623 CA ASN B 159 -8.514 -0.061 13.286 1.00 4.32 C ATOM 624 C ASN B 159 -9.574 -0.862 12.544 1.00 43.12 C ATOM 625 O ASN B 159 -9.294 -1.929 11.989 1.00 73.44 O ATOM 626 CB ASN B 159 -9.080 0.511 14.611 1.00 41.53 C ATOM 627 CG ASN B 159 -9.633 -0.525 15.614 1.00 73.54 C ATOM 628 OD1 ASN B 159 -10.111 -1.604 15.259 1.00 53.51 O ATOM 629 ND2 ASN B 159 -9.615 -0.170 16.864 1.00 13.35 N ATOM 0 H ASN B 159 -8.804 1.218 11.692 1.00 23.14 H new ATOM 0 HA ASN B 159 -7.667 -0.695 13.549 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -8.292 1.080 15.104 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -9.877 1.214 14.369 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -10.002 -0.790 17.576 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -9.214 0.728 17.133 1.00 13.35 H new ATOM 636 N GLU B 160 -10.750 -0.269 12.431 1.00 61.13 N ATOM 637 CA GLU B 160 -11.901 -0.903 11.825 1.00 44.33 C ATOM 638 C GLU B 160 -11.657 -1.111 10.322 1.00 21.45 C ATOM 639 O GLU B 160 -11.916 -2.174 9.770 1.00 55.12 O ATOM 640 CB GLU B 160 -13.119 -0.008 12.050 1.00 21.44 C ATOM 641 CG GLU B 160 -14.435 -0.721 11.942 1.00 75.15 C ATOM 642 CD GLU B 160 -14.566 -1.788 12.994 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.812 -1.462 14.166 1.00 5.33 O ATOM 644 OE2 GLU B 160 -14.415 -2.966 12.677 1.00 51.14 O1- ATOM 0 H GLU B 160 -10.931 0.678 12.763 1.00 61.13 H new ATOM 0 HA GLU B 160 -12.074 -1.879 12.278 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -13.045 0.446 13.038 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -13.098 0.804 11.324 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -15.249 -0.004 12.045 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -14.528 -1.169 10.953 1.00 75.15 H new ATOM 651 N GLN B 161 -11.132 -0.087 9.689 1.00 55.22 N ATOM 652 CA GLN B 161 -10.799 -0.123 8.272 1.00 4.24 C ATOM 653 C GLN B 161 -9.463 -0.830 8.049 1.00 2.21 C ATOM 654 O GLN B 161 -9.166 -1.271 6.961 1.00 4.14 O ATOM 655 CB GLN B 161 -10.766 1.294 7.627 1.00 73.31 C ATOM 656 CG GLN B 161 -9.718 2.258 8.204 1.00 74.15 C ATOM 657 CD GLN B 161 -10.061 2.759 9.589 1.00 63.34 C ATOM 658 OE1 GLN B 161 -9.734 2.129 10.583 1.00 30.32 O ATOM 659 NE2 GLN B 161 -10.693 3.877 9.665 1.00 71.32 N ATOM 0 H GLN B 161 -10.920 0.803 10.140 1.00 55.22 H new ATOM 0 HA GLN B 161 -11.593 -0.685 7.780 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -10.583 1.184 6.558 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -11.751 1.747 7.737 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -8.752 1.755 8.237 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -9.611 3.111 7.533 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -10.950 4.376 8.814 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -10.937 4.264 10.577 1.00 71.32 H new ATOM 668 N LYS B 162 -8.668 -0.934 9.096 1.00 0.01 N ATOM 669 CA LYS B 162 -7.331 -1.489 8.984 1.00 53.04 C ATOM 670 C LYS B 162 -7.343 -3.015 8.908 1.00 54.42 C ATOM 671 O LYS B 162 -6.410 -3.612 8.437 1.00 41.24 O ATOM 672 CB LYS B 162 -6.389 -0.933 10.079 1.00 52.24 C ATOM 673 CG LYS B 162 -4.935 -1.366 9.985 1.00 72.31 C ATOM 674 CD LYS B 162 -4.098 -0.610 10.996 1.00 53.42 C ATOM 675 CE LYS B 162 -4.289 -1.079 12.437 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.801 -2.461 12.667 1.00 22.01 N1+ ATOM 0 H LYS B 162 -8.925 -0.640 10.038 1.00 0.01 H new ATOM 0 HA LYS B 162 -6.917 -1.156 8.032 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -6.427 0.156 10.045 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -6.776 -1.235 11.052 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -4.855 -2.438 10.165 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -4.557 -1.182 8.979 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -3.046 -0.710 10.729 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -4.343 0.450 10.935 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -3.764 -0.398 13.107 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -5.347 -1.026 12.693 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -3.558 -2.581 13.671 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -4.545 -3.140 12.408 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.958 -2.633 12.083 1.00 22.01 H new ATOM 690 N GLN B 163 -8.416 -3.642 9.349 1.00 45.04 N ATOM 691 CA GLN B 163 -8.528 -5.111 9.257 1.00 54.43 C ATOM 692 C GLN B 163 -8.625 -5.544 7.774 1.00 43.34 C ATOM 693 O GLN B 163 -8.211 -6.641 7.389 1.00 51.54 O ATOM 694 CB GLN B 163 -9.779 -5.589 9.977 1.00 0.44 C ATOM 695 CG GLN B 163 -11.052 -5.230 9.245 1.00 12.45 C ATOM 696 CD GLN B 163 -12.296 -5.688 9.959 1.00 32.52 C ATOM 697 OE1 GLN B 163 -12.345 -5.762 11.186 1.00 71.21 O ATOM 698 NE2 GLN B 163 -13.309 -6.016 9.203 1.00 35.45 N ATOM 0 H GLN B 163 -9.220 -3.178 9.771 1.00 45.04 H new ATOM 0 HA GLN B 163 -7.643 -5.549 9.718 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -9.730 -6.671 10.101 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -9.805 -5.154 10.976 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -11.094 -4.149 9.112 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -11.028 -5.673 8.249 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -13.233 -5.942 8.189 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -14.176 -6.346 9.627 1.00 35.45 H new ATOM 707 N ALA B 164 -9.134 -4.623 6.962 1.00 52.32 N ATOM 708 CA ALA B 164 -9.422 -4.816 5.550 1.00 30.11 C ATOM 709 C ALA B 164 -8.226 -5.275 4.804 1.00 13.35 C ATOM 710 O ALA B 164 -8.287 -6.180 3.979 1.00 74.41 O ATOM 711 CB ALA B 164 -9.773 -3.490 4.981 1.00 12.31 C ATOM 0 H ALA B 164 -9.366 -3.684 7.286 1.00 52.32 H new ATOM 0 HA ALA B 164 -10.217 -5.557 5.462 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.996 -3.597 3.919 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.647 -3.092 5.497 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.934 -2.806 5.108 1.00 12.31 H new ATOM 717 N VAL B 165 -7.145 -4.661 5.140 1.00 3.02 N ATOM 718 CA VAL B 165 -5.906 -4.760 4.439 1.00 13.21 C ATOM 719 C VAL B 165 -5.312 -6.168 4.524 1.00 2.43 C ATOM 720 O VAL B 165 -4.561 -6.573 3.666 1.00 61.00 O ATOM 721 CB VAL B 165 -4.912 -3.710 4.995 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.608 -2.403 5.173 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.424 -4.100 6.310 1.00 41.10 C ATOM 0 H VAL B 165 -7.096 -4.045 5.951 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.094 -4.559 3.384 1.00 13.21 H new ATOM 0 HB VAL B 165 -4.087 -3.636 4.287 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.906 -1.667 5.564 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.993 -2.062 4.212 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -6.435 -2.523 5.873 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.728 -3.346 6.678 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -5.264 -4.185 6.999 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.914 -5.061 6.239 1.00 41.10 H new ATOM 733 N LYS B 166 -5.675 -6.913 5.535 1.00 72.33 N ATOM 734 CA LYS B 166 -5.145 -8.253 5.692 1.00 62.53 C ATOM 735 C LYS B 166 -5.929 -9.204 4.814 1.00 61.12 C ATOM 736 O LYS B 166 -5.368 -10.074 4.160 1.00 13.14 O ATOM 737 CB LYS B 166 -5.194 -8.736 7.149 1.00 64.02 C ATOM 738 CG LYS B 166 -4.449 -7.883 8.180 1.00 21.20 C ATOM 739 CD LYS B 166 -5.205 -6.616 8.561 1.00 51.32 C ATOM 740 CE LYS B 166 -4.727 -6.072 9.891 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.886 -7.056 10.985 1.00 65.44 N1+ ATOM 0 H LYS B 166 -6.331 -6.623 6.260 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.097 -8.232 5.394 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -6.239 -8.800 7.452 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.788 -9.747 7.186 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -4.272 -8.478 9.076 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.472 -7.611 7.781 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -5.069 -5.861 7.786 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -6.273 -6.829 8.615 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -3.678 -5.787 9.810 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -5.285 -5.168 10.134 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -5.261 -6.579 11.830 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -5.546 -7.802 10.687 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.963 -7.479 11.208 1.00 65.44 H new ATOM 755 N GLU B 167 -7.217 -8.961 4.759 1.00 75.44 N ATOM 756 CA GLU B 167 -8.147 -9.723 4.044 1.00 33.13 C ATOM 757 C GLU B 167 -8.033 -9.427 2.533 1.00 4.33 C ATOM 758 O GLU B 167 -8.274 -10.289 1.687 1.00 61.22 O ATOM 759 CB GLU B 167 -9.485 -9.324 4.620 1.00 35.41 C ATOM 760 CG GLU B 167 -10.646 -9.831 3.902 1.00 14.32 C ATOM 761 CD GLU B 167 -11.919 -9.442 4.584 1.00 71.10 C ATOM 762 OE1 GLU B 167 -12.369 -10.175 5.483 1.00 34.35 O ATOM 763 OE2 GLU B 167 -12.486 -8.368 4.263 1.00 51.30 O1- ATOM 0 H GLU B 167 -7.643 -8.175 5.249 1.00 75.44 H new ATOM 0 HA GLU B 167 -7.989 -10.798 4.137 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.536 -9.671 5.652 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.541 -8.236 4.646 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -10.644 -9.444 2.883 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -10.586 -10.917 3.830 1.00 14.32 H new ATOM 770 N ALA B 168 -7.674 -8.202 2.212 1.00 51.34 N ATOM 771 CA ALA B 168 -7.451 -7.810 0.835 1.00 12.43 C ATOM 772 C ALA B 168 -6.042 -8.213 0.417 1.00 34.44 C ATOM 773 O ALA B 168 -5.777 -8.554 -0.743 1.00 25.22 O ATOM 774 CB ALA B 168 -7.650 -6.315 0.678 1.00 40.11 C ATOM 0 H ALA B 168 -7.529 -7.455 2.891 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.170 -8.317 0.191 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.480 -6.032 -0.361 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.668 -6.052 0.963 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -6.945 -5.785 1.318 1.00 40.11 H new ATOM 780 N GLY B 169 -5.145 -8.182 1.365 1.00 34.33 N ATOM 781 CA GLY B 169 -3.801 -8.581 1.114 1.00 34.02 C ATOM 782 C GLY B 169 -2.910 -7.410 0.789 1.00 4.54 C ATOM 783 O GLY B 169 -2.370 -7.332 -0.299 1.00 31.44 O ATOM 0 H GLY B 169 -5.330 -7.881 2.322 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -3.409 -9.102 1.988 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -3.783 -9.290 0.286 1.00 34.02 H new ATOM 787 N ALA B 170 -2.764 -6.499 1.733 1.00 35.41 N ATOM 788 CA ALA B 170 -1.882 -5.347 1.588 1.00 34.41 C ATOM 789 C ALA B 170 -0.472 -5.820 1.477 1.00 73.04 C ATOM 790 O ALA B 170 0.268 -5.353 0.651 1.00 1.24 O ATOM 791 CB ALA B 170 -2.062 -4.390 2.744 1.00 13.24 C ATOM 0 H ALA B 170 -3.254 -6.534 2.627 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.137 -4.802 0.679 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.395 -3.537 2.617 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.095 -4.042 2.771 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -1.826 -4.899 3.678 1.00 13.24 H new ATOM 797 N LEU B 171 -0.145 -6.813 2.284 1.00 61.22 N ATOM 798 CA LEU B 171 1.139 -7.480 2.239 1.00 71.22 C ATOM 799 C LEU B 171 1.389 -8.109 0.861 1.00 54.15 C ATOM 800 O LEU B 171 2.509 -8.120 0.367 1.00 23.24 O ATOM 801 CB LEU B 171 1.248 -8.545 3.334 1.00 35.44 C ATOM 802 CG LEU B 171 0.255 -9.709 3.322 1.00 71.12 C ATOM 803 CD1 LEU B 171 0.799 -10.769 4.197 1.00 70.51 C ATOM 804 CD2 LEU B 171 -1.130 -9.308 3.836 1.00 11.20 C ATOM 0 H LEU B 171 -0.774 -7.182 2.998 1.00 61.22 H new ATOM 0 HA LEU B 171 1.904 -6.725 2.417 1.00 71.22 H new ATOM 0 HB2 LEU B 171 2.252 -8.966 3.288 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.157 -8.041 4.296 1.00 35.44 H new ATOM 0 HG LEU B 171 0.132 -10.045 2.293 1.00 71.12 H new ATOM 0 HD11 LEU B 171 0.114 -11.616 4.211 1.00 70.51 H new ATOM 0 HD12 LEU B 171 1.768 -11.092 3.817 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.917 -10.381 5.209 1.00 70.51 H new ATOM 0 HD21 LEU B 171 -1.794 -10.172 3.805 1.00 11.20 H new ATOM 0 HD22 LEU B 171 -1.048 -8.950 4.862 1.00 11.20 H new ATOM 0 HD23 LEU B 171 -1.536 -8.516 3.207 1.00 11.20 H new ATOM 816 N GLU B 172 0.325 -8.589 0.236 1.00 61.41 N ATOM 817 CA GLU B 172 0.397 -9.184 -1.078 1.00 12.34 C ATOM 818 C GLU B 172 0.598 -8.094 -2.125 1.00 12.03 C ATOM 819 O GLU B 172 1.497 -8.179 -2.949 1.00 11.21 O ATOM 820 CB GLU B 172 -0.881 -9.955 -1.361 1.00 22.42 C ATOM 821 CG GLU B 172 -0.913 -10.620 -2.711 1.00 4.33 C ATOM 822 CD GLU B 172 -2.215 -11.294 -2.967 1.00 14.33 C ATOM 823 OE1 GLU B 172 -2.382 -12.461 -2.581 1.00 61.51 O ATOM 824 OE2 GLU B 172 -3.128 -10.651 -3.522 1.00 71.05 O1- ATOM 0 H GLU B 172 -0.615 -8.574 0.633 1.00 61.41 H new ATOM 0 HA GLU B 172 1.241 -9.872 -1.119 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -1.012 -10.715 -0.591 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -1.728 -9.273 -1.284 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -0.731 -9.876 -3.487 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -0.107 -11.351 -2.775 1.00 4.33 H new ATOM 831 N LYS B 173 -0.230 -7.054 -2.058 1.00 75.52 N ATOM 832 CA LYS B 173 -0.147 -5.916 -2.969 1.00 52.14 C ATOM 833 C LYS B 173 1.247 -5.291 -2.905 1.00 13.42 C ATOM 834 O LYS B 173 1.825 -4.875 -3.918 1.00 22.05 O ATOM 835 CB LYS B 173 -1.193 -4.848 -2.593 1.00 52.11 C ATOM 836 CG LYS B 173 -2.547 -4.843 -3.348 1.00 23.24 C ATOM 837 CD LYS B 173 -3.546 -5.920 -2.957 1.00 32.34 C ATOM 838 CE LYS B 173 -3.148 -7.296 -3.367 1.00 65.44 C ATOM 839 NZ LYS B 173 -4.219 -8.279 -3.100 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.978 -6.977 -1.369 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.343 -6.274 -3.980 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.407 -4.953 -1.529 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -0.733 -3.870 -2.731 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -3.017 -3.871 -3.199 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -2.343 -4.938 -4.415 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.682 -5.899 -1.876 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -4.512 -5.684 -3.404 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -2.905 -7.303 -4.430 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -2.245 -7.588 -2.831 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -3.845 -9.242 -3.221 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -4.563 -8.161 -2.126 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -5.004 -8.126 -3.765 1.00 43.00 H new ATOM 853 N LEU B 174 1.775 -5.297 -1.704 1.00 32.33 N ATOM 854 CA LEU B 174 3.065 -4.758 -1.346 1.00 44.15 C ATOM 855 C LEU B 174 4.189 -5.428 -2.169 1.00 4.04 C ATOM 856 O LEU B 174 5.150 -4.785 -2.525 1.00 43.44 O ATOM 857 CB LEU B 174 3.237 -4.999 0.169 1.00 22.15 C ATOM 858 CG LEU B 174 4.271 -4.204 0.971 1.00 32.13 C ATOM 859 CD1 LEU B 174 3.986 -4.404 2.438 1.00 13.11 C ATOM 860 CD2 LEU B 174 5.680 -4.663 0.689 1.00 43.15 C ATOM 0 H LEU B 174 1.287 -5.702 -0.905 1.00 32.33 H new ATOM 0 HA LEU B 174 3.126 -3.693 -1.568 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.267 -4.826 0.634 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.470 -6.055 0.302 1.00 22.15 H new ATOM 0 HG LEU B 174 4.195 -3.155 0.683 1.00 32.13 H new ATOM 0 HD11 LEU B 174 4.712 -3.846 3.029 1.00 13.11 H new ATOM 0 HD12 LEU B 174 2.981 -4.047 2.665 1.00 13.11 H new ATOM 0 HD13 LEU B 174 4.058 -5.464 2.681 1.00 13.11 H new ATOM 0 HD21 LEU B 174 6.380 -4.072 1.279 1.00 43.15 H new ATOM 0 HD22 LEU B 174 5.780 -5.715 0.955 1.00 43.15 H new ATOM 0 HD23 LEU B 174 5.899 -4.534 -0.371 1.00 43.15 H new ATOM 872 N GLU B 175 4.023 -6.702 -2.521 1.00 64.22 N ATOM 873 CA GLU B 175 5.002 -7.441 -3.239 1.00 34.22 C ATOM 874 C GLU B 175 5.210 -6.906 -4.669 1.00 30.54 C ATOM 875 O GLU B 175 6.286 -7.076 -5.257 1.00 40.22 O ATOM 876 CB GLU B 175 4.576 -8.882 -3.258 1.00 31.20 C ATOM 877 CG GLU B 175 4.434 -9.497 -1.877 1.00 63.55 C ATOM 878 CD GLU B 175 4.105 -10.964 -1.915 1.00 72.13 C ATOM 879 OE1 GLU B 175 2.937 -11.323 -2.104 1.00 5.21 O ATOM 880 OE2 GLU B 175 5.025 -11.790 -1.723 1.00 12.05 O1- ATOM 0 H GLU B 175 3.183 -7.238 -2.301 1.00 64.22 H new ATOM 0 HA GLU B 175 5.964 -7.336 -2.738 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.623 -8.963 -3.781 1.00 31.20 H new ATOM 0 HB3 GLU B 175 5.303 -9.459 -3.829 1.00 31.20 H new ATOM 0 HG2 GLU B 175 5.363 -9.353 -1.325 1.00 63.55 H new ATOM 0 HG3 GLU B 175 3.653 -8.970 -1.330 1.00 63.55 H new ATOM 887 N GLN B 176 4.194 -6.257 -5.217 1.00 53.05 N ATOM 888 CA GLN B 176 4.279 -5.667 -6.543 1.00 51.12 C ATOM 889 C GLN B 176 4.879 -4.290 -6.417 1.00 15.23 C ATOM 890 O GLN B 176 5.723 -3.872 -7.212 1.00 25.45 O ATOM 891 CB GLN B 176 2.902 -5.564 -7.129 1.00 22.05 C ATOM 892 CG GLN B 176 2.184 -6.884 -7.221 1.00 3.54 C ATOM 893 CD GLN B 176 2.866 -7.883 -8.137 1.00 35.11 C ATOM 894 OE1 GLN B 176 3.516 -7.516 -9.120 1.00 25.33 O ATOM 895 NE2 GLN B 176 2.738 -9.136 -7.826 1.00 12.14 N ATOM 0 H GLN B 176 3.293 -6.125 -4.758 1.00 53.05 H new ATOM 0 HA GLN B 176 4.899 -6.285 -7.192 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.309 -4.879 -6.523 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.972 -5.128 -8.126 1.00 22.05 H new ATOM 0 HG2 GLN B 176 2.103 -7.315 -6.223 1.00 3.54 H new ATOM 0 HG3 GLN B 176 1.168 -6.712 -7.577 1.00 3.54 H new ATOM 0 HE21 GLN B 176 2.194 -9.405 -7.006 1.00 12.14 H new ATOM 0 HE22 GLN B 176 3.182 -9.852 -8.401 1.00 12.14 H new ATOM 904 N LEU B 177 4.417 -3.609 -5.401 1.00 55.23 N ATOM 905 CA LEU B 177 4.908 -2.299 -4.956 1.00 50.03 C ATOM 906 C LEU B 177 6.425 -2.387 -4.702 1.00 2.24 C ATOM 907 O LEU B 177 7.162 -1.455 -4.971 1.00 11.31 O ATOM 908 CB LEU B 177 4.076 -1.960 -3.685 1.00 4.33 C ATOM 909 CG LEU B 177 4.282 -0.692 -2.844 1.00 13.40 C ATOM 910 CD1 LEU B 177 5.675 -0.515 -2.342 1.00 11.02 C ATOM 911 CD2 LEU B 177 3.777 0.524 -3.537 1.00 54.44 C ATOM 0 H LEU B 177 3.651 -3.956 -4.823 1.00 55.23 H new ATOM 0 HA LEU B 177 4.782 -1.505 -5.692 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.031 -1.954 -3.996 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.201 -2.802 -3.004 1.00 4.33 H new ATOM 0 HG LEU B 177 3.674 -0.837 -1.951 1.00 13.40 H new ATOM 0 HD11 LEU B 177 5.737 0.403 -1.758 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.946 -1.364 -1.714 1.00 11.02 H new ATOM 0 HD13 LEU B 177 6.361 -0.455 -3.187 1.00 11.02 H new ATOM 0 HD21 LEU B 177 3.943 1.397 -2.906 1.00 54.44 H new ATOM 0 HD22 LEU B 177 4.307 0.652 -4.481 1.00 54.44 H new ATOM 0 HD23 LEU B 177 2.710 0.415 -3.732 1.00 54.44 H new ATOM 923 N GLN B 178 6.878 -3.521 -4.212 1.00 31.43 N ATOM 924 CA GLN B 178 8.316 -3.773 -3.991 1.00 34.22 C ATOM 925 C GLN B 178 9.168 -3.708 -5.282 1.00 43.53 C ATOM 926 O GLN B 178 10.384 -3.769 -5.216 1.00 33.40 O ATOM 927 CB GLN B 178 8.578 -5.103 -3.279 1.00 22.20 C ATOM 928 CG GLN B 178 8.179 -5.108 -1.827 1.00 63.12 C ATOM 929 CD GLN B 178 8.894 -4.033 -1.028 1.00 52.34 C ATOM 930 OE1 GLN B 178 8.421 -2.905 -0.917 1.00 3.53 O ATOM 931 NE2 GLN B 178 10.022 -4.364 -0.460 1.00 12.22 N ATOM 0 H GLN B 178 6.276 -4.302 -3.951 1.00 31.43 H new ATOM 0 HA GLN B 178 8.631 -2.954 -3.344 1.00 34.22 H new ATOM 0 HB2 GLN B 178 8.036 -5.894 -3.797 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.639 -5.341 -3.355 1.00 22.20 H new ATOM 0 HG2 GLN B 178 7.102 -4.960 -1.748 1.00 63.12 H new ATOM 0 HG3 GLN B 178 8.399 -6.085 -1.396 1.00 63.12 H new ATOM 0 HE21 GLN B 178 10.390 -5.309 -0.570 1.00 12.22 H new ATOM 0 HE22 GLN B 178 10.535 -3.678 0.094 1.00 12.22 H new ATOM 940 N SER B 179 8.536 -3.578 -6.437 1.00 11.02 N ATOM 941 CA SER B 179 9.253 -3.455 -7.702 1.00 25.41 C ATOM 942 C SER B 179 9.432 -1.945 -8.020 1.00 10.24 C ATOM 943 O SER B 179 9.785 -1.549 -9.133 1.00 40.01 O ATOM 944 CB SER B 179 8.445 -4.159 -8.807 1.00 32.12 C ATOM 945 OG SER B 179 9.231 -4.428 -9.964 1.00 64.32 O ATOM 0 H SER B 179 7.520 -3.555 -6.528 1.00 11.02 H new ATOM 0 HA SER B 179 10.235 -3.924 -7.641 1.00 25.41 H new ATOM 0 HB2 SER B 179 8.042 -5.094 -8.419 1.00 32.12 H new ATOM 0 HB3 SER B 179 7.595 -3.536 -9.085 1.00 32.12 H new ATOM 0 HG SER B 179 9.759 -3.634 -10.193 1.00 64.32 H new ATOM 951 N HIS B 180 9.165 -1.145 -7.008 1.00 24.01 N ATOM 952 CA HIS B 180 9.248 0.324 -7.014 1.00 14.12 C ATOM 953 C HIS B 180 10.598 0.879 -7.505 1.00 13.51 C ATOM 954 O HIS B 180 11.652 0.257 -7.330 1.00 60.24 O ATOM 955 CB HIS B 180 9.003 0.858 -5.573 1.00 1.42 C ATOM 956 CG HIS B 180 10.098 0.494 -4.587 1.00 74.51 C ATOM 957 ND1 HIS B 180 11.042 1.389 -4.147 1.00 63.40 N ATOM 958 CD2 HIS B 180 10.414 -0.682 -4.005 1.00 44.44 C ATOM 959 CE1 HIS B 180 11.888 0.775 -3.358 1.00 71.54 C ATOM 960 NE2 HIS B 180 11.527 -0.476 -3.253 1.00 34.33 N ATOM 0 H HIS B 180 8.867 -1.510 -6.104 1.00 24.01 H new ATOM 0 HA HIS B 180 8.486 0.663 -7.716 1.00 14.12 H new ATOM 0 HB2 HIS B 180 8.907 1.943 -5.610 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.054 0.466 -5.208 1.00 1.42 H new ATOM 0 HD1 HIS B 180 11.079 2.378 -4.396 1.00 63.40 H new ATOM 0 HD2 HIS B 180 9.881 -1.615 -4.116 1.00 44.44 H new ATOM 0 HE1 HIS B 180 12.741 1.227 -2.875 1.00 71.54 H new ATOM 969 N GLU B 181 10.539 2.048 -8.099 1.00 2.23 N ATOM 970 CA GLU B 181 11.726 2.813 -8.445 1.00 3.54 C ATOM 971 C GLU B 181 11.863 3.962 -7.455 1.00 21.45 C ATOM 972 O GLU B 181 12.961 4.460 -7.190 1.00 41.00 O ATOM 973 CB GLU B 181 11.641 3.425 -9.843 1.00 22.41 C ATOM 974 CG GLU B 181 11.568 2.456 -11.000 1.00 21.45 C ATOM 975 CD GLU B 181 11.626 3.190 -12.317 1.00 4.11 C ATOM 976 OE1 GLU B 181 12.744 3.461 -12.816 1.00 34.25 O1- ATOM 977 OE2 GLU B 181 10.561 3.562 -12.867 1.00 21.44 O ATOM 0 H GLU B 181 9.664 2.502 -8.360 1.00 2.23 H new ATOM 0 HA GLU B 181 12.575 2.130 -8.416 1.00 3.54 H new ATOM 0 HB2 GLU B 181 10.762 4.068 -9.881 1.00 22.41 H new ATOM 0 HB3 GLU B 181 12.511 4.065 -9.989 1.00 22.41 H new ATOM 0 HG2 GLU B 181 12.392 1.745 -10.938 1.00 21.45 H new ATOM 0 HG3 GLU B 181 10.645 1.880 -10.940 1.00 21.45 H new ATOM 984 N ASN B 182 10.739 4.363 -6.899 1.00 1.10 N ATOM 985 CA ASN B 182 10.668 5.521 -6.005 1.00 51.53 C ATOM 986 C ASN B 182 10.936 5.165 -4.586 1.00 31.02 C ATOM 987 O ASN B 182 10.574 4.088 -4.087 1.00 72.11 O ATOM 988 CB ASN B 182 9.335 6.240 -6.170 1.00 70.24 C ATOM 989 CG ASN B 182 9.217 7.523 -5.378 1.00 71.13 C ATOM 990 OD1 ASN B 182 8.743 7.514 -4.271 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.677 8.611 -5.919 1.00 41.44 N ATOM 0 H ASN B 182 9.842 3.901 -7.049 1.00 1.10 H new ATOM 0 HA ASN B 182 11.463 6.208 -6.295 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.185 6.464 -7.226 1.00 70.24 H new ATOM 0 HB3 ASN B 182 8.533 5.566 -5.869 1.00 70.24 H new ATOM 0 HD21 ASN B 182 9.643 9.491 -5.404 1.00 41.44 H new ATOM 0 HD22 ASN B 182 10.072 8.585 -6.859 1.00 41.44 H new ATOM 998 N GLU B 183 11.584 6.091 -3.971 1.00 21.41 N ATOM 999 CA GLU B 183 12.085 6.003 -2.665 1.00 75.53 C ATOM 1000 C GLU B 183 10.988 6.248 -1.601 1.00 53.13 C ATOM 1001 O GLU B 183 10.978 5.597 -0.557 1.00 62.23 O ATOM 1002 CB GLU B 183 13.191 7.026 -2.583 1.00 4.41 C ATOM 1003 CG GLU B 183 12.734 8.458 -2.313 1.00 71.12 C ATOM 1004 CD GLU B 183 13.813 9.460 -2.515 1.00 70.35 C ATOM 1005 OE1 GLU B 183 13.961 9.962 -3.650 1.00 10.34 O1- ATOM 1006 OE2 GLU B 183 14.543 9.769 -1.556 1.00 74.32 O ATOM 0 H GLU B 183 11.787 6.990 -4.408 1.00 21.41 H new ATOM 0 HA GLU B 183 12.457 5.000 -2.453 1.00 75.53 H new ATOM 0 HB2 GLU B 183 13.882 6.728 -1.795 1.00 4.41 H new ATOM 0 HB3 GLU B 183 13.749 7.010 -3.519 1.00 4.41 H new ATOM 0 HG2 GLU B 183 11.897 8.696 -2.969 1.00 71.12 H new ATOM 0 HG3 GLU B 183 12.367 8.529 -1.289 1.00 71.12 H new ATOM 1013 N LYS B 184 10.040 7.147 -1.901 1.00 31.52 N ATOM 1014 CA LYS B 184 8.978 7.509 -0.959 1.00 55.01 C ATOM 1015 C LYS B 184 8.053 6.331 -0.821 1.00 72.22 C ATOM 1016 O LYS B 184 7.447 6.099 0.222 1.00 13.24 O ATOM 1017 CB LYS B 184 8.165 8.701 -1.475 1.00 13.15 C ATOM 1018 CG LYS B 184 8.969 9.936 -1.841 1.00 23.11 C ATOM 1019 CD LYS B 184 8.049 11.028 -2.376 1.00 51.20 C ATOM 1020 CE LYS B 184 8.821 12.258 -2.829 1.00 41.21 C ATOM 1021 NZ LYS B 184 9.548 12.907 -1.727 1.00 13.42 N1+ ATOM 0 H LYS B 184 9.990 7.637 -2.794 1.00 31.52 H new ATOM 0 HA LYS B 184 9.430 7.780 -0.005 1.00 55.01 H new ATOM 0 HB2 LYS B 184 7.604 8.382 -2.353 1.00 13.15 H new ATOM 0 HB3 LYS B 184 7.436 8.977 -0.713 1.00 13.15 H new ATOM 0 HG2 LYS B 184 9.507 10.301 -0.966 1.00 23.11 H new ATOM 0 HG3 LYS B 184 9.717 9.682 -2.592 1.00 23.11 H new ATOM 0 HD2 LYS B 184 7.470 10.636 -3.212 1.00 51.20 H new ATOM 0 HD3 LYS B 184 7.337 11.313 -1.601 1.00 51.20 H new ATOM 0 HE2 LYS B 184 9.528 11.972 -3.607 1.00 41.21 H new ATOM 0 HE3 LYS B 184 8.129 12.973 -3.274 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 9.973 13.794 -2.066 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 8.888 13.114 -0.950 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 10.298 12.273 -1.384 1.00 13.42 H new ATOM 1035 N ILE B 185 7.994 5.568 -1.898 1.00 60.21 N ATOM 1036 CA ILE B 185 7.200 4.381 -2.002 1.00 75.21 C ATOM 1037 C ILE B 185 7.591 3.332 -0.925 1.00 0.43 C ATOM 1038 O ILE B 185 6.744 2.581 -0.435 1.00 60.43 O ATOM 1039 CB ILE B 185 7.261 3.829 -3.463 1.00 72.20 C ATOM 1040 CG1 ILE B 185 6.549 4.820 -4.386 1.00 53.13 C ATOM 1041 CG2 ILE B 185 6.644 2.464 -3.579 1.00 64.03 C ATOM 1042 CD1 ILE B 185 6.372 4.362 -5.809 1.00 52.31 C ATOM 0 H ILE B 185 8.520 5.775 -2.747 1.00 60.21 H new ATOM 0 HA ILE B 185 6.159 4.627 -1.794 1.00 75.21 H new ATOM 0 HB ILE B 185 8.306 3.723 -3.753 1.00 72.20 H new ATOM 0 HG12 ILE B 185 5.567 5.039 -3.968 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.110 5.755 -4.390 1.00 53.13 H new ATOM 0 HG21 ILE B 185 6.710 2.122 -4.612 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.177 1.768 -2.931 1.00 64.03 H new ATOM 0 HG23 ILE B 185 5.597 2.511 -3.278 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.857 5.136 -6.379 1.00 52.31 H new ATOM 0 HD12 ILE B 185 7.349 4.172 -6.254 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.782 3.446 -5.826 1.00 52.31 H new ATOM 1054 N GLN B 186 8.859 3.348 -0.511 1.00 51.04 N ATOM 1055 CA GLN B 186 9.338 2.477 0.578 1.00 13.34 C ATOM 1056 C GLN B 186 8.619 2.766 1.882 1.00 43.21 C ATOM 1057 O GLN B 186 8.289 1.853 2.637 1.00 14.42 O ATOM 1058 CB GLN B 186 10.838 2.642 0.798 1.00 3.31 C ATOM 1059 CG GLN B 186 11.696 1.824 -0.125 1.00 30.13 C ATOM 1060 CD GLN B 186 11.557 0.344 0.159 1.00 33.34 C ATOM 1061 OE1 GLN B 186 10.700 -0.326 -0.403 1.00 41.14 O ATOM 1062 NE2 GLN B 186 12.390 -0.170 1.021 1.00 12.44 N ATOM 0 H GLN B 186 9.577 3.953 -0.910 1.00 51.04 H new ATOM 0 HA GLN B 186 9.125 1.453 0.272 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.097 3.694 0.677 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.073 2.372 1.827 1.00 3.31 H new ATOM 0 HG2 GLN B 186 11.416 2.026 -1.159 1.00 30.13 H new ATOM 0 HG3 GLN B 186 12.739 2.121 -0.014 1.00 30.13 H new ATOM 0 HE21 GLN B 186 13.090 0.421 1.468 1.00 12.44 H new ATOM 0 HE22 GLN B 186 12.341 -1.163 1.248 1.00 12.44 H new ATOM 1071 N LYS B 187 8.331 4.034 2.115 1.00 22.52 N ATOM 1072 CA LYS B 187 7.725 4.463 3.343 1.00 74.33 C ATOM 1073 C LYS B 187 6.276 4.024 3.389 1.00 72.42 C ATOM 1074 O LYS B 187 5.719 3.805 4.464 1.00 44.24 O ATOM 1075 CB LYS B 187 7.823 5.972 3.476 1.00 51.52 C ATOM 1076 CG LYS B 187 7.739 6.408 4.917 1.00 61.53 C ATOM 1077 CD LYS B 187 7.815 7.906 5.099 1.00 22.21 C ATOM 1078 CE LYS B 187 6.480 8.611 4.842 1.00 31.44 C ATOM 1079 NZ LYS B 187 6.028 8.604 3.431 1.00 31.33 N1+ ATOM 0 H LYS B 187 8.514 4.788 1.453 1.00 22.52 H new ATOM 0 HA LYS B 187 8.256 4.005 4.177 1.00 74.33 H new ATOM 0 HB2 LYS B 187 8.764 6.316 3.045 1.00 51.52 H new ATOM 0 HB3 LYS B 187 7.021 6.441 2.906 1.00 51.52 H new ATOM 0 HG2 LYS B 187 6.804 6.045 5.344 1.00 61.53 H new ATOM 0 HG3 LYS B 187 8.548 5.940 5.478 1.00 61.53 H new ATOM 0 HD2 LYS B 187 8.146 8.126 6.114 1.00 22.21 H new ATOM 0 HD3 LYS B 187 8.569 8.310 4.423 1.00 22.21 H new ATOM 0 HE2 LYS B 187 5.713 8.138 5.456 1.00 31.44 H new ATOM 0 HE3 LYS B 187 6.563 9.645 5.176 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 5.551 9.503 3.215 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 6.849 8.488 2.804 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 5.365 7.816 3.283 1.00 31.33 H new ATOM 1093 N GLU B 188 5.680 3.861 2.219 1.00 1.40 N ATOM 1094 CA GLU B 188 4.293 3.454 2.125 1.00 41.11 C ATOM 1095 C GLU B 188 4.192 1.936 2.199 1.00 55.30 C ATOM 1096 O GLU B 188 3.273 1.396 2.822 1.00 1.32 O ATOM 1097 CB GLU B 188 3.654 3.970 0.836 1.00 0.21 C ATOM 1098 CG GLU B 188 3.850 5.463 0.602 1.00 71.14 C ATOM 1099 CD GLU B 188 3.472 6.315 1.789 1.00 11.41 C ATOM 1100 OE1 GLU B 188 2.285 6.653 1.960 1.00 31.44 O ATOM 1101 OE2 GLU B 188 4.376 6.698 2.557 1.00 62.41 O1- ATOM 0 H GLU B 188 6.139 4.006 1.320 1.00 1.40 H new ATOM 0 HA GLU B 188 3.749 3.888 2.964 1.00 41.11 H new ATOM 0 HB2 GLU B 188 4.071 3.422 -0.009 1.00 0.21 H new ATOM 0 HB3 GLU B 188 2.586 3.753 0.860 1.00 0.21 H new ATOM 0 HG2 GLU B 188 4.894 5.649 0.350 1.00 71.14 H new ATOM 0 HG3 GLU B 188 3.255 5.769 -0.258 1.00 71.14 H new ATOM 1108 N ALA B 189 5.161 1.251 1.577 1.00 22.15 N ATOM 1109 CA ALA B 189 5.239 -0.211 1.614 1.00 34.34 C ATOM 1110 C ALA B 189 5.325 -0.679 3.045 1.00 10.01 C ATOM 1111 O ALA B 189 4.480 -1.429 3.530 1.00 70.11 O ATOM 1112 CB ALA B 189 6.469 -0.708 0.857 1.00 52.44 C ATOM 0 H ALA B 189 5.906 1.693 1.039 1.00 22.15 H new ATOM 0 HA ALA B 189 4.343 -0.612 1.140 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.506 -1.797 0.898 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.411 -0.386 -0.183 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.369 -0.297 1.315 1.00 52.44 H new ATOM 1118 N GLN B 190 6.319 -0.167 3.735 1.00 64.45 N ATOM 1119 CA GLN B 190 6.574 -0.526 5.108 1.00 73.23 C ATOM 1120 C GLN B 190 5.475 -0.024 6.046 1.00 61.30 C ATOM 1121 O GLN B 190 5.308 -0.560 7.119 1.00 21.21 O ATOM 1122 CB GLN B 190 7.948 -0.028 5.544 1.00 2.33 C ATOM 1123 CG GLN B 190 9.087 -0.578 4.693 1.00 20.12 C ATOM 1124 CD GLN B 190 10.451 -0.076 5.126 1.00 2.31 C ATOM 1125 OE1 GLN B 190 10.581 1.026 5.658 1.00 32.22 O ATOM 1126 NE2 GLN B 190 11.476 -0.845 4.872 1.00 62.14 N ATOM 0 H GLN B 190 6.976 0.514 3.355 1.00 64.45 H new ATOM 0 HA GLN B 190 6.567 -1.614 5.172 1.00 73.23 H new ATOM 0 HB2 GLN B 190 7.963 1.061 5.499 1.00 2.33 H new ATOM 0 HB3 GLN B 190 8.114 -0.306 6.585 1.00 2.33 H new ATOM 0 HG2 GLN B 190 9.075 -1.667 4.741 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.919 -0.303 3.652 1.00 20.12 H new ATOM 0 HE21 GLN B 190 11.335 -1.753 4.430 1.00 62.14 H new ATOM 0 HE22 GLN B 190 12.417 -0.537 5.116 1.00 62.14 H new ATOM 1135 N GLU B 191 4.712 0.981 5.606 1.00 20.43 N ATOM 1136 CA GLU B 191 3.656 1.572 6.433 1.00 21.04 C ATOM 1137 C GLU B 191 2.568 0.548 6.662 1.00 11.53 C ATOM 1138 O GLU B 191 2.358 0.092 7.781 1.00 43.14 O ATOM 1139 CB GLU B 191 3.042 2.782 5.715 1.00 13.23 C ATOM 1140 CG GLU B 191 2.478 3.870 6.620 1.00 73.14 C ATOM 1141 CD GLU B 191 1.365 3.485 7.536 1.00 25.30 C ATOM 1142 OE1 GLU B 191 0.213 3.547 7.136 1.00 14.54 O1- ATOM 1143 OE2 GLU B 191 1.652 3.207 8.719 1.00 63.00 O ATOM 0 H GLU B 191 4.806 1.402 4.682 1.00 20.43 H new ATOM 0 HA GLU B 191 4.087 1.888 7.383 1.00 21.04 H new ATOM 0 HB2 GLU B 191 3.804 3.226 5.075 1.00 13.23 H new ATOM 0 HB3 GLU B 191 2.244 2.428 5.062 1.00 13.23 H new ATOM 0 HG2 GLU B 191 3.295 4.262 7.226 1.00 73.14 H new ATOM 0 HG3 GLU B 191 2.129 4.687 5.989 1.00 73.14 H new ATOM 1150 N ALA B 192 1.951 0.107 5.583 1.00 12.05 N ATOM 1151 CA ALA B 192 0.826 -0.797 5.704 1.00 52.44 C ATOM 1152 C ALA B 192 1.287 -2.176 6.160 1.00 63.31 C ATOM 1153 O ALA B 192 0.513 -2.925 6.757 1.00 62.12 O ATOM 1154 CB ALA B 192 0.022 -0.891 4.400 1.00 12.11 C ATOM 0 H ALA B 192 2.205 0.356 4.627 1.00 12.05 H new ATOM 0 HA ALA B 192 0.160 -0.387 6.464 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.812 -1.579 4.536 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.361 0.095 4.137 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.667 -1.255 3.600 1.00 12.11 H new ATOM 1160 N LEU B 193 2.559 -2.485 5.878 1.00 21.32 N ATOM 1161 CA LEU B 193 3.200 -3.727 6.262 1.00 65.15 C ATOM 1162 C LEU B 193 3.084 -3.874 7.747 1.00 0.51 C ATOM 1163 O LEU B 193 2.427 -4.774 8.262 1.00 31.01 O ATOM 1164 CB LEU B 193 4.688 -3.606 5.896 1.00 24.10 C ATOM 1165 CG LEU B 193 5.581 -4.840 6.039 1.00 35.55 C ATOM 1166 CD1 LEU B 193 6.683 -4.791 5.007 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.216 -4.834 7.406 1.00 3.03 C ATOM 0 H LEU B 193 3.177 -1.857 5.364 1.00 21.32 H new ATOM 0 HA LEU B 193 2.743 -4.581 5.763 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.748 -3.273 4.860 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.117 -2.814 6.511 1.00 24.10 H new ATOM 0 HG LEU B 193 4.978 -5.737 5.900 1.00 35.55 H new ATOM 0 HD11 LEU B 193 7.318 -5.671 5.111 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.246 -4.774 4.009 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.281 -3.892 5.156 1.00 41.22 H new ATOM 0 HD21 LEU B 193 6.854 -5.711 7.515 1.00 3.03 H new ATOM 0 HD22 LEU B 193 6.816 -3.932 7.524 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.438 -4.855 8.169 1.00 3.03 H new ATOM 1179 N GLU B 194 3.676 -2.915 8.392 1.00 32.42 N ATOM 1180 CA GLU B 194 3.778 -2.760 9.728 1.00 1.13 C ATOM 1181 C GLU B 194 2.443 -2.820 10.412 1.00 25.31 C ATOM 1182 O GLU B 194 2.215 -3.606 11.329 1.00 45.10 O ATOM 1183 CB GLU B 194 4.352 -1.395 9.838 1.00 42.50 C ATOM 1184 CG GLU B 194 4.379 -0.923 11.199 1.00 61.52 C ATOM 1185 CD GLU B 194 5.260 0.271 11.419 1.00 43.35 C ATOM 1186 OE1 GLU B 194 6.482 0.092 11.593 1.00 14.30 O1- ATOM 1187 OE2 GLU B 194 4.757 1.407 11.419 1.00 73.13 O ATOM 0 H GLU B 194 4.139 -2.157 7.891 1.00 32.42 H new ATOM 0 HA GLU B 194 4.371 -3.543 10.200 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.365 -1.395 9.435 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.767 -0.707 9.228 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.363 -0.672 11.505 1.00 61.52 H new ATOM 0 HG3 GLU B 194 4.716 -1.733 11.846 1.00 61.52 H new ATOM 1194 N LYS B 195 1.607 -1.982 9.953 1.00 35.45 N ATOM 1195 CA LYS B 195 0.338 -1.755 10.481 1.00 0.22 C ATOM 1196 C LYS B 195 -0.645 -2.921 10.353 1.00 34.32 C ATOM 1197 O LYS B 195 -1.539 -3.052 11.202 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.188 -0.489 9.882 1.00 52.22 C ATOM 1199 CG LYS B 195 0.638 0.740 10.220 1.00 23.11 C ATOM 1200 CD LYS B 195 0.840 0.910 11.714 1.00 42.32 C ATOM 1201 CE LYS B 195 1.655 2.149 12.011 1.00 61.10 C ATOM 1202 NZ LYS B 195 1.973 2.269 13.445 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.810 -1.398 9.142 1.00 35.45 H new ATOM 0 HA LYS B 195 0.442 -1.657 11.562 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.229 -0.601 8.799 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -1.211 -0.333 10.225 1.00 52.22 H new ATOM 0 HG2 LYS B 195 1.609 0.667 9.731 1.00 23.11 H new ATOM 0 HG3 LYS B 195 0.146 1.626 9.820 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -0.128 0.979 12.210 1.00 42.32 H new ATOM 0 HD3 LYS B 195 1.344 0.033 12.119 1.00 42.32 H new ATOM 0 HE2 LYS B 195 2.580 2.121 11.435 1.00 61.10 H new ATOM 0 HE3 LYS B 195 1.104 3.032 11.687 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 2.532 3.131 13.606 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 1.091 2.322 13.993 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 2.521 1.439 13.750 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.536 -3.758 9.323 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.407 -4.849 9.235 1.00 65.11 C ATOM 1218 C LEU B 196 -0.944 -5.962 10.128 1.00 32.01 C ATOM 1219 O LEU B 196 -1.766 -6.700 10.686 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.545 -5.331 7.802 1.00 75.42 C ATOM 1221 CG LEU B 196 -0.412 -6.153 7.148 1.00 24.30 C ATOM 1222 CD1 LEU B 196 -0.612 -7.650 7.385 1.00 63.01 C ATOM 1223 CD2 LEU B 196 -0.334 -5.847 5.669 1.00 63.35 C ATOM 0 H LEU B 196 0.145 -3.676 8.568 1.00 42.45 H new ATOM 0 HA LEU B 196 -2.391 -4.522 9.570 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -2.453 -5.932 7.749 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.708 -4.452 7.179 1.00 75.42 H new ATOM 0 HG LEU B 196 0.532 -5.868 7.612 1.00 24.30 H new ATOM 0 HD11 LEU B 196 0.200 -8.205 6.914 1.00 63.01 H new ATOM 0 HD12 LEU B 196 -0.615 -7.852 8.456 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -1.563 -7.963 6.954 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.468 -6.432 5.218 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -1.281 -6.103 5.194 1.00 63.35 H new ATOM 0 HD23 LEU B 196 -0.132 -4.785 5.527 1.00 63.35 H new ATOM 1235 N GLN B 197 0.366 -6.087 10.248 1.00 54.12 N ATOM 1236 CA GLN B 197 0.944 -7.135 11.026 1.00 1.52 C ATOM 1237 C GLN B 197 0.571 -6.952 12.479 1.00 14.31 C ATOM 1238 O GLN B 197 0.888 -5.921 13.088 1.00 23.34 O ATOM 1239 CB GLN B 197 2.452 -7.187 10.861 1.00 12.04 C ATOM 1240 CG GLN B 197 2.900 -7.516 9.456 1.00 14.33 C ATOM 1241 CD GLN B 197 4.393 -7.493 9.304 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.096 -6.758 10.007 1.00 54.42 O ATOM 1243 NE2 GLN B 197 4.896 -8.268 8.385 1.00 34.25 N ATOM 0 H GLN B 197 1.043 -5.464 9.808 1.00 54.12 H new ATOM 0 HA GLN B 197 0.548 -8.086 10.670 1.00 1.52 H new ATOM 0 HB2 GLN B 197 2.873 -6.224 11.151 1.00 12.04 H new ATOM 0 HB3 GLN B 197 2.858 -7.932 11.546 1.00 12.04 H new ATOM 0 HG2 GLN B 197 2.526 -8.502 9.181 1.00 14.33 H new ATOM 0 HG3 GLN B 197 2.457 -6.802 8.761 1.00 14.33 H new ATOM 0 HE21 GLN B 197 4.282 -8.860 7.825 1.00 34.25 H new ATOM 0 HE22 GLN B 197 5.903 -8.282 8.225 1.00 34.25 H new ATOM 1252 N SER B 198 -0.119 -7.908 13.018 1.00 33.54 N ATOM 1253 CA SER B 198 -0.578 -7.812 14.353 1.00 12.43 C ATOM 1254 C SER B 198 0.579 -7.980 15.328 1.00 1.54 C ATOM 1255 O SER B 198 1.390 -8.919 15.221 1.00 24.20 O ATOM 1256 CB SER B 198 -1.682 -8.835 14.572 1.00 25.00 C ATOM 1257 OG SER B 198 -2.728 -8.615 13.620 1.00 4.45 O ATOM 0 H SER B 198 -0.375 -8.772 12.540 1.00 33.54 H new ATOM 0 HA SER B 198 -0.995 -6.822 14.538 1.00 12.43 H new ATOM 0 HB2 SER B 198 -1.284 -9.844 14.465 1.00 25.00 H new ATOM 0 HB3 SER B 198 -2.074 -8.752 15.586 1.00 25.00 H new ATOM 0 HG SER B 198 -3.440 -9.274 13.758 1.00 4.45 H new ATOM 1263 N HIS B 199 0.659 -7.049 16.238 1.00 64.41 N ATOM 1264 CA HIS B 199 1.664 -6.982 17.258 1.00 72.30 C ATOM 1265 C HIS B 199 1.244 -5.855 18.158 1.00 63.44 C ATOM 1266 O HIS B 199 1.815 -4.763 18.087 1.00 64.51 O ATOM 1267 CB HIS B 199 3.068 -6.710 16.653 1.00 55.12 C ATOM 1268 CG HIS B 199 4.182 -6.635 17.666 1.00 44.44 C ATOM 1269 ND1 HIS B 199 4.779 -5.456 18.027 1.00 1.01 N ATOM 1270 CD2 HIS B 199 4.806 -7.598 18.379 1.00 11.40 C ATOM 1271 CE1 HIS B 199 5.715 -5.685 18.909 1.00 1.32 C ATOM 1272 NE2 HIS B 199 5.757 -6.976 19.146 1.00 12.31 N ATOM 0 H HIS B 199 -0.009 -6.280 16.289 1.00 64.41 H new ATOM 0 HA HIS B 199 1.746 -7.926 17.797 1.00 72.30 H new ATOM 0 HB2 HIS B 199 3.299 -7.497 15.935 1.00 55.12 H new ATOM 0 HB3 HIS B 199 3.035 -5.772 16.098 1.00 55.12 H new ATOM 0 HD2 HIS B 199 4.596 -8.657 18.350 1.00 11.40 H new ATOM 0 HE1 HIS B 199 6.348 -4.939 19.366 1.00 1.32 H new ATOM 0 HE2 HIS B 199 6.393 -7.440 19.795 1.00 12.31 H new