USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 178 GLN : amide:sc= -2.83! C(o=-3.4!,f=-10!) USER MOD Set 1.2: B 180 HIS : no HE2:sc= -0.0403 K(o=-3.4,f=-6.5!) USER MOD Set 1.3: B 186 GLN : amide:sc= -0.542 K(o=-3.4,f=-7.7) USER MOD Set 2.1: B 137 SER OG : rot -36:sc= 0.834 USER MOD Set 2.2: B 176 GLN : amide:sc= 0.773 K(o=1.6,f=-2.9!) USER MOD Set 3.1: B 145 GLN : amide:sc= 0.109 K(o=0.32,f=-7.7) USER MOD Set 3.2: B 184 LYS NZ :NH3+ -140:sc= 0.215 (180deg=-3.01!) USER MOD Set 4.1: B 138 SER OG : rot -106:sc= -1.65 USER MOD Set 4.2: B 140 ASN :FLIP amide:sc= -9.36! C(o=-17!,f=-11!) USER MOD Single : B 134 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.87) USER MOD Single : B 142 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.1) USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 156 SER OG : rot 73:sc= 0.14 USER MOD Single : B 159 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 161 GLN : amide:sc=-0.00168 X(o=-0.0017,f=-0.28) USER MOD Single : B 162 LYS NZ :NH3+ 136:sc= 0.0433 (180deg=-0.0314) USER MOD Single : B 163 GLN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : B 166 LYS NZ :NH3+ -161:sc= -0.0278 (180deg=-0.296) USER MOD Single : B 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 182 ASN : amide:sc= 0.0468 K(o=0.047,f=-8.4!) USER MOD Single : B 187 LYS NZ :NH3+ -147:sc= 2.38 (180deg=0.786) USER MOD Single : B 190 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 195 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.24) USER MOD Single : B 197 GLN : amide:sc= -0.0871 K(o=-0.087,f=-1.1) 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=-3e-05) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.299 -3.269 0.299 1.00 55.53 N ATOM 177 CA LEU B 129 -12.136 -3.940 0.872 1.00 45.21 C ATOM 178 C LEU B 129 -10.913 -3.988 -0.080 1.00 33.52 C ATOM 179 O LEU B 129 -9.861 -3.457 0.265 1.00 22.43 O ATOM 180 CB LEU B 129 -12.461 -5.341 1.476 1.00 71.14 C ATOM 181 CG LEU B 129 -13.441 -5.408 2.673 1.00 72.10 C ATOM 182 CD1 LEU B 129 -13.039 -4.464 3.784 1.00 71.02 C ATOM 183 CD2 LEU B 129 -14.884 -5.184 2.252 1.00 45.41 C ATOM 0 HA LEU B 129 -11.844 -3.306 1.709 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -12.866 -5.963 0.678 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -11.521 -5.796 1.788 1.00 71.14 H new ATOM 0 HG LEU B 129 -13.378 -6.423 3.066 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -13.753 -4.542 4.604 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -12.044 -4.727 4.143 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -13.030 -3.441 3.407 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -15.531 -5.241 3.127 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -14.980 -4.200 1.792 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -15.177 -5.950 1.534 1.00 45.41 H new ATOM 195 N PRO B 130 -11.003 -4.604 -1.300 1.00 0.32 N ATOM 196 CA PRO B 130 -9.856 -4.661 -2.207 1.00 63.11 C ATOM 197 C PRO B 130 -9.491 -3.289 -2.730 1.00 21.50 C ATOM 198 O PRO B 130 -8.343 -3.006 -2.947 1.00 1.14 O ATOM 199 CB PRO B 130 -10.342 -5.507 -3.388 1.00 74.52 C ATOM 200 CG PRO B 130 -11.572 -6.179 -2.912 1.00 3.43 C ATOM 201 CD PRO B 130 -12.176 -5.257 -1.903 1.00 14.32 C ATOM 0 HA PRO B 130 -8.979 -5.063 -1.700 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.547 -4.884 -4.259 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.587 -6.235 -3.687 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -12.261 -6.362 -3.736 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -11.342 -7.147 -2.468 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.845 -4.533 -2.368 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.761 -5.800 -1.160 1.00 14.32 H new ATOM 209 N ALA B 131 -10.478 -2.429 -2.877 1.00 12.31 N ATOM 210 CA ALA B 131 -10.268 -1.127 -3.506 1.00 41.31 C ATOM 211 C ALA B 131 -9.332 -0.235 -2.717 1.00 3.12 C ATOM 212 O ALA B 131 -8.581 0.541 -3.301 1.00 52.45 O ATOM 213 CB ALA B 131 -11.581 -0.434 -3.797 1.00 12.14 C ATOM 0 H ALA B 131 -11.436 -2.602 -2.572 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.774 -1.322 -4.458 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.387 0.531 -4.265 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.176 -1.050 -4.471 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -12.127 -0.283 -2.866 1.00 12.14 H new ATOM 219 N LEU B 132 -9.340 -0.376 -1.406 1.00 31.23 N ATOM 220 CA LEU B 132 -8.461 0.416 -0.579 1.00 71.30 C ATOM 221 C LEU B 132 -7.023 -0.119 -0.674 1.00 32.55 C ATOM 222 O LEU B 132 -6.061 0.606 -0.481 1.00 34.51 O ATOM 223 CB LEU B 132 -9.011 0.516 0.888 1.00 34.00 C ATOM 224 CG LEU B 132 -9.153 -0.781 1.720 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.818 -1.264 2.288 1.00 25.22 C ATOM 226 CD2 LEU B 132 -10.183 -0.594 2.822 1.00 65.03 C ATOM 0 H LEU B 132 -9.940 -1.026 -0.898 1.00 31.23 H new ATOM 0 HA LEU B 132 -8.432 1.441 -0.948 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -8.358 1.193 1.440 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.993 0.987 0.841 1.00 34.00 H new ATOM 0 HG LEU B 132 -9.501 -1.562 1.044 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.976 -2.177 2.863 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -7.126 -1.465 1.470 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -7.399 -0.495 2.937 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -10.271 -1.515 3.398 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -9.869 0.217 3.480 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -11.149 -0.349 2.380 1.00 65.03 H new ATOM 238 N VAL B 133 -6.893 -1.402 -0.962 1.00 20.30 N ATOM 239 CA VAL B 133 -5.588 -2.006 -1.109 1.00 2.44 C ATOM 240 C VAL B 133 -5.036 -1.823 -2.519 1.00 41.43 C ATOM 241 O VAL B 133 -3.838 -1.752 -2.718 1.00 11.14 O ATOM 242 CB VAL B 133 -5.595 -3.510 -0.723 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.851 -4.425 -1.863 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.357 -3.906 -0.018 1.00 60.04 C ATOM 0 H VAL B 133 -7.676 -2.042 -1.098 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.929 -1.485 -0.415 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.439 -3.616 -0.042 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.840 -5.457 -1.511 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.825 -4.201 -2.298 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.077 -4.291 -2.618 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.404 -4.966 0.233 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.497 -3.724 -0.663 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -4.256 -3.321 0.896 1.00 60.04 H new ATOM 254 N GLN B 134 -5.944 -1.744 -3.474 1.00 51.03 N ATOM 255 CA GLN B 134 -5.640 -1.758 -4.914 1.00 1.43 C ATOM 256 C GLN B 134 -4.490 -0.854 -5.345 1.00 10.22 C ATOM 257 O GLN B 134 -3.591 -1.284 -6.080 1.00 3.33 O ATOM 258 CB GLN B 134 -6.868 -1.475 -5.781 1.00 62.21 C ATOM 259 CG GLN B 134 -7.828 -2.635 -5.909 1.00 72.32 C ATOM 260 CD GLN B 134 -7.196 -3.831 -6.585 1.00 12.24 C ATOM 261 OE1 GLN B 134 -6.302 -3.690 -7.425 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.631 -5.004 -6.225 1.00 42.35 N ATOM 0 H GLN B 134 -6.942 -1.666 -3.277 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.308 -2.783 -5.082 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.403 -0.622 -5.363 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.534 -1.185 -6.777 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.179 -2.924 -4.918 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.702 -2.319 -6.478 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.371 -5.081 -5.528 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -7.231 -5.846 -6.640 1.00 42.35 H new ATOM 271 N LEU B 135 -4.512 0.364 -4.853 1.00 31.00 N ATOM 272 CA LEU B 135 -3.520 1.393 -5.175 1.00 53.40 C ATOM 273 C LEU B 135 -2.081 0.940 -4.902 1.00 44.52 C ATOM 274 O LEU B 135 -1.162 1.364 -5.579 1.00 61.22 O ATOM 275 CB LEU B 135 -3.827 2.726 -4.445 1.00 12.34 C ATOM 276 CG LEU B 135 -4.354 2.618 -2.998 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.949 3.852 -2.200 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.889 2.526 -3.009 1.00 52.53 C ATOM 0 H LEU B 135 -5.230 0.684 -4.204 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.599 1.564 -6.249 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.916 3.324 -4.432 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.561 3.276 -5.034 1.00 12.34 H new ATOM 0 HG LEU B 135 -3.928 1.725 -2.540 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -4.326 3.766 -1.181 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.862 3.932 -2.180 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.369 4.742 -2.668 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -6.256 2.450 -1.986 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.304 3.418 -3.478 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -6.197 1.644 -3.571 1.00 52.53 H new ATOM 290 N LEU B 136 -1.925 0.026 -3.973 1.00 21.22 N ATOM 291 CA LEU B 136 -0.660 -0.497 -3.559 1.00 44.41 C ATOM 292 C LEU B 136 -0.007 -1.403 -4.614 1.00 40.11 C ATOM 293 O LEU B 136 1.184 -1.621 -4.580 1.00 61.31 O ATOM 294 CB LEU B 136 -0.907 -1.263 -2.289 1.00 1.14 C ATOM 295 CG LEU B 136 -0.788 -0.514 -0.968 1.00 52.41 C ATOM 296 CD1 LEU B 136 -1.231 -1.409 0.176 1.00 41.23 C ATOM 297 CD2 LEU B 136 0.650 -0.051 -0.743 1.00 34.05 C ATOM 0 H LEU B 136 -2.712 -0.385 -3.470 1.00 21.22 H new ATOM 0 HA LEU B 136 0.040 0.326 -3.411 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.910 -1.686 -2.344 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.209 -2.100 -2.263 1.00 1.14 H new ATOM 0 HG LEU B 136 -1.433 0.364 -1.006 1.00 52.41 H new ATOM 0 HD11 LEU B 136 -1.143 -0.867 1.117 1.00 41.23 H new ATOM 0 HD12 LEU B 136 -2.269 -1.707 0.024 1.00 41.23 H new ATOM 0 HD13 LEU B 136 -0.600 -2.297 0.209 1.00 41.23 H new ATOM 0 HD21 LEU B 136 0.716 0.482 0.205 1.00 34.05 H new ATOM 0 HD22 LEU B 136 1.312 -0.917 -0.719 1.00 34.05 H new ATOM 0 HD23 LEU B 136 0.950 0.613 -1.554 1.00 34.05 H new ATOM 309 N SER B 137 -0.780 -1.924 -5.542 1.00 11.45 N ATOM 310 CA SER B 137 -0.214 -2.804 -6.554 1.00 2.00 C ATOM 311 C SER B 137 -0.225 -2.114 -7.925 1.00 23.45 C ATOM 312 O SER B 137 -0.014 -2.762 -8.964 1.00 1.12 O ATOM 313 CB SER B 137 -0.990 -4.155 -6.607 1.00 70.13 C ATOM 314 OG SER B 137 -0.490 -5.039 -7.600 1.00 44.15 O ATOM 0 H SER B 137 -1.784 -1.761 -5.621 1.00 11.45 H new ATOM 0 HA SER B 137 0.820 -3.021 -6.286 1.00 2.00 H new ATOM 0 HB2 SER B 137 -0.932 -4.640 -5.633 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.044 -3.956 -6.802 1.00 70.13 H new ATOM 0 HG SER B 137 -0.205 -4.524 -8.383 1.00 44.15 H new ATOM 320 N SER B 138 -0.446 -0.814 -7.929 1.00 30.13 N ATOM 321 CA SER B 138 -0.539 -0.053 -9.132 1.00 70.24 C ATOM 322 C SER B 138 0.857 0.000 -9.854 1.00 64.22 C ATOM 323 O SER B 138 1.899 -0.200 -9.221 1.00 31.04 O ATOM 324 CB SER B 138 -1.023 1.347 -8.722 1.00 65.30 C ATOM 325 OG SER B 138 -0.024 2.057 -8.079 1.00 2.10 O ATOM 0 H SER B 138 -0.566 -0.262 -7.080 1.00 30.13 H new ATOM 0 HA SER B 138 -1.235 -0.501 -9.842 1.00 70.24 H new ATOM 0 HB2 SER B 138 -1.350 1.894 -9.606 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.888 1.257 -8.065 1.00 65.30 H new ATOM 0 HG SER B 138 -0.217 2.097 -7.119 1.00 2.10 H new ATOM 331 N PRO B 139 0.879 0.216 -11.195 1.00 3.54 N ATOM 332 CA PRO B 139 2.150 0.369 -11.980 1.00 24.41 C ATOM 333 C PRO B 139 2.752 1.755 -11.708 1.00 3.55 C ATOM 334 O PRO B 139 3.970 1.972 -11.658 1.00 33.11 O ATOM 335 CB PRO B 139 1.627 0.401 -13.435 1.00 51.14 C ATOM 336 CG PRO B 139 0.270 0.979 -13.255 1.00 12.24 C ATOM 337 CD PRO B 139 -0.302 0.283 -12.082 1.00 64.24 C ATOM 0 HA PRO B 139 2.890 -0.399 -11.755 1.00 24.41 H new ATOM 0 HB2 PRO B 139 2.252 1.017 -14.081 1.00 51.14 H new ATOM 0 HB3 PRO B 139 1.593 -0.594 -13.880 1.00 51.14 H new ATOM 0 HG2 PRO B 139 0.321 2.055 -13.087 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -0.344 0.823 -14.142 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -1.125 0.839 -11.633 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.685 -0.706 -12.335 1.00 64.24 H new ATOM 345 N ASN B 140 1.835 2.655 -11.528 1.00 23.02 N ATOM 346 CA ASN B 140 1.991 3.996 -11.408 1.00 20.23 C ATOM 347 C ASN B 140 2.335 4.371 -10.020 1.00 43.12 C ATOM 348 O ASN B 140 1.481 4.696 -9.219 1.00 34.53 O ATOM 349 CB ASN B 140 0.730 4.702 -11.978 1.00 62.14 C ATOM 350 CG ASN B 140 -0.592 3.925 -11.961 1.00 24.03 C ATOM 351 OD1 ASN B 140 -0.851 3.174 -10.977 1.00 54.34 O flip ATOM 352 ND2 ASN B 140 -1.400 4.071 -12.872 1.00 42.30 N flip ATOM 0 H ASN B 140 0.853 2.389 -11.459 1.00 23.02 H new ATOM 0 HA ASN B 140 2.840 4.340 -11.999 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.583 5.627 -11.420 1.00 62.14 H new ATOM 0 HB3 ASN B 140 0.941 4.983 -13.010 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -1.177 4.680 -13.659 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -2.295 3.583 -12.843 1.00 42.30 H new ATOM 359 N GLU B 141 3.627 4.274 -9.757 1.00 73.15 N ATOM 360 CA GLU B 141 4.242 4.527 -8.465 1.00 45.35 C ATOM 361 C GLU B 141 3.876 5.904 -7.971 1.00 73.44 C ATOM 362 O GLU B 141 3.637 6.112 -6.798 1.00 64.43 O ATOM 363 CB GLU B 141 5.753 4.420 -8.606 1.00 72.42 C ATOM 364 CG GLU B 141 6.223 3.095 -9.181 1.00 31.50 C ATOM 365 CD GLU B 141 7.709 3.052 -9.363 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.229 3.744 -10.270 1.00 72.31 O ATOM 367 OE2 GLU B 141 8.387 2.336 -8.613 1.00 2.24 O1- ATOM 0 H GLU B 141 4.306 4.005 -10.469 1.00 73.15 H new ATOM 0 HA GLU B 141 3.882 3.792 -7.745 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.107 5.229 -9.245 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.211 4.564 -7.627 1.00 72.42 H new ATOM 0 HG2 GLU B 141 5.916 2.285 -8.520 1.00 31.50 H new ATOM 0 HG3 GLU B 141 5.736 2.924 -10.141 1.00 31.50 H new ATOM 374 N GLN B 142 3.834 6.834 -8.888 1.00 51.13 N ATOM 375 CA GLN B 142 3.432 8.189 -8.594 1.00 31.54 C ATOM 376 C GLN B 142 2.023 8.255 -8.055 1.00 51.24 C ATOM 377 O GLN B 142 1.809 8.780 -6.962 1.00 5.41 O ATOM 378 CB GLN B 142 3.548 9.052 -9.833 1.00 3.13 C ATOM 379 CG GLN B 142 4.965 9.445 -10.175 1.00 43.42 C ATOM 380 CD GLN B 142 5.561 10.353 -9.114 1.00 72.43 C ATOM 381 OE1 GLN B 142 4.841 11.112 -8.451 1.00 44.11 O ATOM 382 NE2 GLN B 142 6.843 10.303 -8.955 1.00 63.34 N ATOM 0 H GLN B 142 4.078 6.675 -9.865 1.00 51.13 H new ATOM 0 HA GLN B 142 4.103 8.566 -7.822 1.00 31.54 H new ATOM 0 HB2 GLN B 142 3.116 8.517 -10.678 1.00 3.13 H new ATOM 0 HB3 GLN B 142 2.955 9.956 -9.691 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.578 8.549 -10.275 1.00 43.42 H new ATOM 0 HG3 GLN B 142 4.981 9.952 -11.140 1.00 43.42 H new ATOM 0 HE21 GLN B 142 7.402 9.664 -9.520 1.00 63.34 H new ATOM 0 HE22 GLN B 142 7.295 10.902 -8.264 1.00 63.34 H new ATOM 391 N ILE B 143 1.065 7.688 -8.783 1.00 34.31 N ATOM 392 CA ILE B 143 -0.312 7.823 -8.351 1.00 21.53 C ATOM 393 C ILE B 143 -0.574 6.952 -7.143 1.00 1.45 C ATOM 394 O ILE B 143 -1.421 7.263 -6.319 1.00 53.35 O ATOM 395 CB ILE B 143 -1.299 7.565 -9.511 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.295 6.163 -9.950 1.00 73.10 C ATOM 397 CG2 ILE B 143 -0.864 8.360 -10.696 1.00 44.30 C ATOM 398 CD1 ILE B 143 -2.174 5.181 -9.251 1.00 51.44 C ATOM 0 H ILE B 143 1.211 7.153 -9.639 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.482 8.855 -8.042 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.290 7.835 -9.147 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.562 6.149 -11.007 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.271 5.798 -9.875 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.553 8.187 -11.523 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -0.861 9.420 -10.442 1.00 44.30 H new ATOM 0 HG23 ILE B 143 0.140 8.055 -10.990 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -2.048 4.196 -9.700 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.903 5.136 -8.196 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.214 5.492 -9.345 1.00 51.44 H new ATOM 410 N LEU B 144 0.191 5.857 -7.061 1.00 55.31 N ATOM 411 CA LEU B 144 0.179 4.947 -5.937 1.00 51.23 C ATOM 412 C LEU B 144 0.387 5.779 -4.658 1.00 35.13 C ATOM 413 O LEU B 144 -0.457 5.786 -3.770 1.00 44.33 O ATOM 414 CB LEU B 144 1.341 3.942 -6.136 1.00 3.21 C ATOM 415 CG LEU B 144 1.434 2.728 -5.204 1.00 52.24 C ATOM 416 CD1 LEU B 144 2.193 1.632 -5.890 1.00 13.41 C ATOM 417 CD2 LEU B 144 2.145 3.063 -3.930 1.00 24.12 C ATOM 0 H LEU B 144 0.845 5.584 -7.795 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.760 4.400 -5.858 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.284 3.570 -7.159 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.276 4.496 -6.050 1.00 3.21 H new ATOM 0 HG LEU B 144 0.417 2.414 -4.967 1.00 52.24 H new ATOM 0 HD11 LEU B 144 2.261 0.768 -5.229 1.00 13.41 H new ATOM 0 HD12 LEU B 144 1.675 1.349 -6.806 1.00 13.41 H new ATOM 0 HD13 LEU B 144 3.196 1.982 -6.134 1.00 13.41 H new ATOM 0 HD21 LEU B 144 2.191 2.178 -3.295 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.156 3.401 -4.156 1.00 24.12 H new ATOM 0 HD23 LEU B 144 1.606 3.855 -3.410 1.00 24.12 H new ATOM 429 N GLN B 145 1.501 6.535 -4.640 1.00 62.02 N ATOM 430 CA GLN B 145 1.885 7.428 -3.544 1.00 14.14 C ATOM 431 C GLN B 145 0.803 8.428 -3.187 1.00 53.32 C ATOM 432 O GLN B 145 0.280 8.420 -2.082 1.00 13.44 O ATOM 433 CB GLN B 145 3.127 8.204 -3.932 1.00 31.14 C ATOM 434 CG GLN B 145 4.335 7.352 -4.133 1.00 35.44 C ATOM 435 CD GLN B 145 5.544 8.136 -4.595 1.00 5.04 C ATOM 436 OE1 GLN B 145 6.315 8.652 -3.779 1.00 4.41 O ATOM 437 NE2 GLN B 145 5.736 8.211 -5.882 1.00 60.40 N ATOM 0 H GLN B 145 2.171 6.538 -5.409 1.00 62.02 H new ATOM 0 HA GLN B 145 2.061 6.793 -2.676 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.927 8.755 -4.851 1.00 31.14 H new ATOM 0 HB3 GLN B 145 3.339 8.941 -3.158 1.00 31.14 H new ATOM 0 HG2 GLN B 145 4.574 6.844 -3.198 1.00 35.44 H new ATOM 0 HG3 GLN B 145 4.109 6.579 -4.867 1.00 35.44 H new ATOM 0 HE21 GLN B 145 5.075 7.771 -6.523 1.00 60.40 H new ATOM 0 HE22 GLN B 145 6.547 8.710 -6.248 1.00 60.40 H new ATOM 446 N GLU B 146 0.459 9.282 -4.127 1.00 55.14 N ATOM 447 CA GLU B 146 -0.481 10.344 -3.873 1.00 32.43 C ATOM 448 C GLU B 146 -1.869 9.841 -3.487 1.00 61.02 C ATOM 449 O GLU B 146 -2.605 10.522 -2.753 1.00 62.21 O ATOM 450 CB GLU B 146 -0.502 11.347 -5.015 1.00 61.15 C ATOM 451 CG GLU B 146 -0.740 10.767 -6.387 1.00 73.43 C ATOM 452 CD GLU B 146 -0.649 11.823 -7.454 1.00 74.32 C ATOM 453 OE1 GLU B 146 0.474 12.107 -7.924 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 -1.685 12.434 -7.794 1.00 3.34 O ATOM 0 H GLU B 146 0.821 9.258 -5.080 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.126 10.876 -2.990 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.278 12.085 -4.812 1.00 61.15 H new ATOM 0 HB3 GLU B 146 0.449 11.879 -5.025 1.00 61.15 H new ATOM 0 HG2 GLU B 146 -0.008 9.984 -6.585 1.00 73.43 H new ATOM 0 HG3 GLU B 146 -1.724 10.299 -6.420 1.00 73.43 H new ATOM 461 N ALA B 147 -2.221 8.654 -3.934 1.00 15.44 N ATOM 462 CA ALA B 147 -3.468 8.066 -3.530 1.00 72.45 C ATOM 463 C ALA B 147 -3.352 7.506 -2.130 1.00 11.52 C ATOM 464 O ALA B 147 -4.257 7.682 -1.329 1.00 71.22 O ATOM 465 CB ALA B 147 -3.965 7.020 -4.515 1.00 4.23 C ATOM 0 H ALA B 147 -1.663 8.086 -4.571 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.220 8.856 -3.526 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -4.910 6.608 -4.162 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.113 7.481 -5.492 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.229 6.220 -4.599 1.00 4.23 H new ATOM 471 N LEU B 148 -2.209 6.887 -1.828 1.00 50.13 N ATOM 472 CA LEU B 148 -1.928 6.313 -0.509 1.00 10.21 C ATOM 473 C LEU B 148 -2.108 7.331 0.565 1.00 72.25 C ATOM 474 O LEU B 148 -2.704 7.061 1.583 1.00 11.01 O ATOM 475 CB LEU B 148 -0.486 5.832 -0.418 1.00 24.22 C ATOM 476 CG LEU B 148 -0.120 4.511 -1.048 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.380 4.342 -0.971 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.810 3.365 -0.325 1.00 53.12 C ATOM 0 H LEU B 148 -1.447 6.769 -2.496 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.622 5.483 -0.378 1.00 10.21 H new ATOM 0 HB2 LEU B 148 0.146 6.598 -0.866 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.222 5.779 0.638 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.446 4.500 -2.088 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.663 3.391 -1.422 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.866 5.157 -1.507 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.695 4.356 0.073 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.534 2.420 -0.794 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.501 3.356 0.720 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -1.891 3.496 -0.383 1.00 53.12 H new ATOM 490 N TRP B 149 -1.637 8.515 0.304 1.00 72.11 N ATOM 491 CA TRP B 149 -1.629 9.564 1.285 1.00 73.33 C ATOM 492 C TRP B 149 -3.004 10.009 1.657 1.00 33.51 C ATOM 493 O TRP B 149 -3.249 10.388 2.800 1.00 12.44 O ATOM 494 CB TRP B 149 -0.785 10.719 0.826 1.00 5.20 C ATOM 495 CG TRP B 149 0.684 10.452 0.959 1.00 21.45 C ATOM 496 CD1 TRP B 149 1.352 9.375 0.484 1.00 14.14 C ATOM 497 CD2 TRP B 149 1.665 11.273 1.598 1.00 64.10 C ATOM 498 NE1 TRP B 149 2.667 9.451 0.786 1.00 44.31 N ATOM 499 CE2 TRP B 149 2.901 10.608 1.468 1.00 41.22 C ATOM 500 CE3 TRP B 149 1.625 12.494 2.266 1.00 50.34 C ATOM 501 CZ2 TRP B 149 4.079 11.124 1.980 1.00 11.41 C ATOM 502 CZ3 TRP B 149 2.801 13.007 2.773 1.00 0.00 C ATOM 503 CH2 TRP B 149 4.012 12.323 2.626 1.00 21.30 C ATOM 0 H TRP B 149 -1.245 8.783 -0.599 1.00 72.11 H new ATOM 0 HA TRP B 149 -1.182 9.152 2.190 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -1.017 10.941 -0.216 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -1.043 11.605 1.406 1.00 5.20 H new ATOM 0 HD1 TRP B 149 0.895 8.564 -0.063 1.00 14.14 H new ATOM 0 HE1 TRP B 149 3.371 8.755 0.543 1.00 44.31 H new ATOM 0 HE3 TRP B 149 0.694 13.028 2.385 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 5.015 10.597 1.872 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 2.786 13.954 3.293 1.00 0.00 H new ATOM 0 HH2 TRP B 149 4.915 12.754 3.033 1.00 21.30 H new ATOM 514 N ALA B 150 -3.897 9.951 0.727 1.00 4.41 N ATOM 515 CA ALA B 150 -5.243 10.320 0.999 1.00 55.10 C ATOM 516 C ALA B 150 -6.008 9.112 1.570 1.00 74.03 C ATOM 517 O ALA B 150 -6.690 9.206 2.596 1.00 33.30 O ATOM 518 CB ALA B 150 -5.906 10.848 -0.260 1.00 15.21 C ATOM 0 H ALA B 150 -3.717 9.650 -0.231 1.00 4.41 H new ATOM 0 HA ALA B 150 -5.258 11.117 1.743 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -6.936 11.127 -0.039 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -5.362 11.722 -0.619 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -5.897 10.075 -1.028 1.00 15.21 H new ATOM 524 N LEU B 151 -5.825 7.975 0.919 1.00 70.43 N ATOM 525 CA LEU B 151 -6.514 6.720 1.231 1.00 60.43 C ATOM 526 C LEU B 151 -6.163 6.196 2.628 1.00 0.01 C ATOM 527 O LEU B 151 -7.031 5.704 3.332 1.00 1.42 O ATOM 528 CB LEU B 151 -6.160 5.689 0.123 1.00 30.21 C ATOM 529 CG LEU B 151 -6.811 4.278 0.119 1.00 35.52 C ATOM 530 CD1 LEU B 151 -6.290 3.367 1.231 1.00 33.34 C ATOM 531 CD2 LEU B 151 -8.330 4.368 0.141 1.00 54.11 C ATOM 0 H LEU B 151 -5.176 7.890 0.136 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.590 6.893 1.248 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -6.394 6.154 -0.835 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.080 5.545 0.152 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.511 3.810 -0.819 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -6.786 2.398 1.170 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -5.214 3.232 1.117 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -6.498 3.821 2.200 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.754 3.364 0.138 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -8.650 4.894 1.040 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -8.675 4.911 -0.739 1.00 54.11 H new ATOM 543 N SER B 152 -4.899 6.338 3.023 1.00 60.31 N ATOM 544 CA SER B 152 -4.356 5.824 4.296 1.00 74.51 C ATOM 545 C SER B 152 -5.207 6.218 5.527 1.00 11.20 C ATOM 546 O SER B 152 -5.148 5.552 6.576 1.00 33.33 O ATOM 547 CB SER B 152 -2.880 6.220 4.436 1.00 21.44 C ATOM 548 OG SER B 152 -2.270 5.656 5.587 1.00 22.11 O ATOM 0 H SER B 152 -4.201 6.824 2.459 1.00 60.31 H new ATOM 0 HA SER B 152 -4.412 4.736 4.265 1.00 74.51 H new ATOM 0 HB2 SER B 152 -2.336 5.900 3.547 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.802 7.306 4.483 1.00 21.44 H new ATOM 0 HG SER B 152 -1.332 5.936 5.630 1.00 22.11 H new ATOM 554 N ASN B 153 -6.015 7.283 5.374 1.00 64.24 N ATOM 555 CA ASN B 153 -7.001 7.724 6.376 1.00 44.31 C ATOM 556 C ASN B 153 -7.846 6.545 6.876 1.00 64.55 C ATOM 557 O ASN B 153 -8.297 6.529 8.028 1.00 64.23 O ATOM 558 CB ASN B 153 -7.911 8.782 5.751 1.00 63.41 C ATOM 559 CG ASN B 153 -9.034 9.236 6.678 1.00 23.31 C ATOM 560 OD1 ASN B 153 -8.845 10.095 7.541 1.00 40.43 O ATOM 561 ND2 ASN B 153 -10.221 8.731 6.456 1.00 50.30 N ATOM 0 H ASN B 153 -6.001 7.869 4.539 1.00 64.24 H new ATOM 0 HA ASN B 153 -6.468 8.144 7.229 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -7.310 9.647 5.469 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -8.345 8.382 4.835 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -11.021 9.048 7.004 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -10.346 8.021 5.734 1.00 50.30 H new ATOM 568 N ILE B 154 -8.041 5.573 5.991 1.00 75.13 N ATOM 569 CA ILE B 154 -8.713 4.288 6.293 1.00 55.41 C ATOM 570 C ILE B 154 -8.166 3.691 7.610 1.00 43.23 C ATOM 571 O ILE B 154 -8.914 3.473 8.577 1.00 31.12 O ATOM 572 CB ILE B 154 -8.449 3.244 5.138 1.00 3.11 C ATOM 573 CG1 ILE B 154 -9.180 3.610 3.829 1.00 50.30 C ATOM 574 CG2 ILE B 154 -8.780 1.812 5.559 1.00 43.33 C ATOM 575 CD1 ILE B 154 -10.687 3.498 3.881 1.00 21.43 C ATOM 0 H ILE B 154 -7.735 5.646 5.021 1.00 75.13 H new ATOM 0 HA ILE B 154 -9.781 4.485 6.384 1.00 55.41 H new ATOM 0 HB ILE B 154 -7.378 3.292 4.940 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -8.917 4.632 3.558 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -8.811 2.964 3.032 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -8.581 1.134 4.729 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -8.163 1.532 6.413 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -9.832 1.748 5.836 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -11.106 3.776 2.914 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -10.968 2.471 4.116 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -11.075 4.166 4.650 1.00 21.43 H new ATOM 587 N ALA B 155 -6.858 3.515 7.663 1.00 10.31 N ATOM 588 CA ALA B 155 -6.218 2.868 8.785 1.00 14.12 C ATOM 589 C ALA B 155 -5.969 3.838 9.928 1.00 64.41 C ATOM 590 O ALA B 155 -5.871 3.418 11.086 1.00 71.04 O ATOM 591 CB ALA B 155 -4.927 2.207 8.342 1.00 41.11 C ATOM 0 H ALA B 155 -6.215 3.817 6.931 1.00 10.31 H new ATOM 0 HA ALA B 155 -6.894 2.099 9.159 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -4.454 1.723 9.197 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -5.144 1.462 7.577 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -4.254 2.961 7.934 1.00 41.11 H new ATOM 597 N SER B 156 -5.863 5.120 9.604 1.00 4.52 N ATOM 598 CA SER B 156 -5.664 6.159 10.606 1.00 54.22 C ATOM 599 C SER B 156 -6.921 6.314 11.477 1.00 33.11 C ATOM 600 O SER B 156 -6.835 6.624 12.676 1.00 31.14 O ATOM 601 CB SER B 156 -5.317 7.477 9.917 1.00 51.15 C ATOM 602 OG SER B 156 -4.202 7.306 9.049 1.00 71.21 O ATOM 0 H SER B 156 -5.912 5.467 8.646 1.00 4.52 H new ATOM 0 HA SER B 156 -4.837 5.874 11.257 1.00 54.22 H new ATOM 0 HB2 SER B 156 -6.176 7.835 9.349 1.00 51.15 H new ATOM 0 HB3 SER B 156 -5.090 8.237 10.665 1.00 51.15 H new ATOM 0 HG SER B 156 -4.480 6.806 8.254 1.00 71.21 H new ATOM 608 N GLY B 157 -8.078 6.103 10.861 1.00 64.35 N ATOM 609 CA GLY B 157 -9.328 6.151 11.580 1.00 65.32 C ATOM 610 C GLY B 157 -9.599 4.828 12.256 1.00 30.23 C ATOM 611 O GLY B 157 -9.848 4.770 13.468 1.00 41.22 O ATOM 0 H GLY B 157 -8.168 5.898 9.866 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -9.296 6.947 12.324 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -10.141 6.389 10.894 1.00 65.32 H new ATOM 615 N GLY B 158 -9.518 3.765 11.487 1.00 4.51 N ATOM 616 CA GLY B 158 -9.719 2.448 12.020 1.00 1.13 C ATOM 617 C GLY B 158 -10.960 1.800 11.461 1.00 32.24 C ATOM 618 O GLY B 158 -11.049 1.579 10.241 1.00 23.13 O ATOM 0 H GLY B 158 -9.313 3.794 10.488 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -8.852 1.828 11.793 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -9.796 2.503 13.106 1.00 1.13 H new ATOM 622 N ASN B 159 -11.925 1.518 12.338 1.00 23.14 N ATOM 623 CA ASN B 159 -13.198 0.847 11.977 1.00 4.32 C ATOM 624 C ASN B 159 -12.930 -0.547 11.399 1.00 43.12 C ATOM 625 O ASN B 159 -11.830 -1.090 11.559 1.00 73.44 O ATOM 626 CB ASN B 159 -14.044 1.688 10.988 1.00 41.53 C ATOM 627 CG ASN B 159 -14.604 2.969 11.585 1.00 73.54 C ATOM 628 OD1 ASN B 159 -15.700 2.977 12.146 1.00 53.51 O ATOM 629 ND2 ASN B 159 -13.897 4.056 11.427 1.00 13.35 N ATOM 0 H ASN B 159 -11.855 1.746 13.330 1.00 23.14 H new ATOM 0 HA ASN B 159 -13.777 0.745 12.895 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -13.429 1.941 10.124 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -14.870 1.078 10.623 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -14.249 4.948 11.773 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -12.993 4.012 10.957 1.00 13.35 H new ATOM 636 N GLU B 160 -13.908 -1.131 10.715 1.00 61.13 N ATOM 637 CA GLU B 160 -13.741 -2.466 10.134 1.00 44.33 C ATOM 638 C GLU B 160 -12.955 -2.410 8.826 1.00 21.45 C ATOM 639 O GLU B 160 -12.675 -3.433 8.200 1.00 55.12 O ATOM 640 CB GLU B 160 -15.087 -3.161 9.933 1.00 21.44 C ATOM 641 CG GLU B 160 -15.821 -3.457 11.229 1.00 75.15 C ATOM 642 CD GLU B 160 -15.020 -4.348 12.159 1.00 34.45 C ATOM 643 OE1 GLU B 160 -15.092 -5.583 12.021 1.00 5.33 O ATOM 644 OE2 GLU B 160 -14.297 -3.825 13.048 1.00 51.14 O1- ATOM 0 H GLU B 160 -14.821 -0.707 10.548 1.00 61.13 H new ATOM 0 HA GLU B 160 -13.164 -3.058 10.845 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -15.719 -2.535 9.303 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -14.927 -4.095 9.395 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -16.049 -2.519 11.736 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -16.773 -3.936 11.002 1.00 75.15 H new ATOM 651 N GLN B 161 -12.602 -1.211 8.432 1.00 55.22 N ATOM 652 CA GLN B 161 -11.814 -0.966 7.234 1.00 4.24 C ATOM 653 C GLN B 161 -10.332 -1.227 7.528 1.00 2.21 C ATOM 654 O GLN B 161 -9.531 -1.426 6.639 1.00 4.14 O ATOM 655 CB GLN B 161 -11.987 0.488 6.776 1.00 73.31 C ATOM 656 CG GLN B 161 -13.433 0.942 6.640 1.00 74.15 C ATOM 657 CD GLN B 161 -14.235 0.117 5.654 1.00 63.34 C ATOM 658 OE1 GLN B 161 -13.714 -0.405 4.671 1.00 30.32 O ATOM 659 NE2 GLN B 161 -15.495 -0.036 5.926 1.00 71.32 N ATOM 0 H GLN B 161 -12.854 -0.361 8.937 1.00 55.22 H new ATOM 0 HA GLN B 161 -12.157 -1.636 6.446 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -11.480 1.141 7.486 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -11.489 0.614 5.815 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -13.914 0.895 7.617 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -13.450 1.986 6.327 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -15.897 0.411 6.750 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -16.083 -0.603 5.316 1.00 71.32 H new ATOM 668 N LYS B 162 -9.992 -1.213 8.796 1.00 0.01 N ATOM 669 CA LYS B 162 -8.612 -1.349 9.249 1.00 53.04 C ATOM 670 C LYS B 162 -8.065 -2.779 9.019 1.00 54.42 C ATOM 671 O LYS B 162 -6.912 -2.956 8.644 1.00 41.24 O ATOM 672 CB LYS B 162 -8.558 -0.968 10.727 1.00 52.24 C ATOM 673 CG LYS B 162 -7.178 -0.821 11.336 1.00 72.31 C ATOM 674 CD LYS B 162 -7.314 -0.433 12.799 1.00 53.42 C ATOM 675 CE LYS B 162 -5.979 -0.220 13.481 1.00 52.21 C ATOM 676 NZ LYS B 162 -5.204 0.911 12.916 1.00 22.01 N1+ ATOM 0 H LYS B 162 -10.665 -1.106 9.555 1.00 0.01 H new ATOM 0 HA LYS B 162 -7.974 -0.684 8.667 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -9.090 -0.026 10.856 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -9.103 -1.723 11.294 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -6.626 -1.757 11.246 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -6.609 -0.063 10.798 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -7.904 0.481 12.874 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -7.865 -1.212 13.326 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -6.146 -0.042 14.543 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -5.388 -1.132 13.400 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -4.799 1.475 13.690 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -4.437 0.542 12.318 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -5.832 1.510 12.343 1.00 22.01 H new ATOM 690 N GLN B 163 -8.909 -3.779 9.222 1.00 45.04 N ATOM 691 CA GLN B 163 -8.519 -5.199 9.071 1.00 54.43 C ATOM 692 C GLN B 163 -8.421 -5.592 7.598 1.00 43.34 C ATOM 693 O GLN B 163 -7.782 -6.588 7.236 1.00 51.54 O ATOM 694 CB GLN B 163 -9.570 -6.075 9.714 1.00 0.44 C ATOM 695 CG GLN B 163 -10.887 -5.969 8.996 1.00 12.45 C ATOM 696 CD GLN B 163 -12.014 -6.633 9.733 1.00 32.52 C ATOM 697 OE1 GLN B 163 -12.293 -7.810 9.527 1.00 71.21 O ATOM 698 NE2 GLN B 163 -12.640 -5.907 10.600 1.00 35.45 N ATOM 0 H GLN B 163 -9.883 -3.645 9.495 1.00 45.04 H new ATOM 0 HA GLN B 163 -7.547 -5.332 9.546 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -9.234 -7.112 9.710 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -9.698 -5.786 10.757 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -11.129 -4.917 8.846 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.792 -6.418 8.007 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -12.373 -4.932 10.737 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -13.401 -6.309 11.147 1.00 35.45 H new ATOM 707 N ALA B 164 -9.058 -4.783 6.767 1.00 52.32 N ATOM 708 CA ALA B 164 -9.194 -5.002 5.331 1.00 30.11 C ATOM 709 C ALA B 164 -7.881 -5.240 4.692 1.00 13.35 C ATOM 710 O ALA B 164 -7.709 -6.125 3.893 1.00 74.41 O ATOM 711 CB ALA B 164 -9.717 -3.755 4.736 1.00 12.31 C ATOM 0 H ALA B 164 -9.511 -3.925 7.082 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.842 -5.864 5.176 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.831 -3.885 3.660 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.685 -3.519 5.177 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -9.021 -2.939 4.931 1.00 12.31 H new ATOM 717 N VAL B 165 -6.962 -4.455 5.109 1.00 3.02 N ATOM 718 CA VAL B 165 -5.665 -4.369 4.536 1.00 13.21 C ATOM 719 C VAL B 165 -4.895 -5.703 4.698 1.00 2.43 C ATOM 720 O VAL B 165 -4.107 -6.091 3.839 1.00 61.00 O ATOM 721 CB VAL B 165 -4.918 -3.170 5.188 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.849 -1.997 5.251 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.553 -3.466 6.573 1.00 41.10 C ATOM 0 H VAL B 165 -7.095 -3.822 5.898 1.00 3.02 H new ATOM 0 HA VAL B 165 -5.739 -4.194 3.463 1.00 13.21 H new ATOM 0 HB VAL B 165 -4.027 -2.971 4.592 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -5.336 -1.150 5.706 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -6.166 -1.730 4.243 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -6.722 -2.257 5.849 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -4.032 -2.610 7.003 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -5.454 -3.670 7.151 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.900 -4.338 6.599 1.00 41.10 H new ATOM 733 N LYS B 166 -5.203 -6.434 5.755 1.00 72.33 N ATOM 734 CA LYS B 166 -4.548 -7.693 6.010 1.00 62.53 C ATOM 735 C LYS B 166 -5.205 -8.760 5.155 1.00 61.12 C ATOM 736 O LYS B 166 -4.547 -9.459 4.387 1.00 13.14 O ATOM 737 CB LYS B 166 -4.662 -8.133 7.495 1.00 64.02 C ATOM 738 CG LYS B 166 -4.129 -7.179 8.578 1.00 21.20 C ATOM 739 CD LYS B 166 -5.035 -5.972 8.829 1.00 51.32 C ATOM 740 CE LYS B 166 -4.666 -5.240 10.120 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.913 -6.068 11.328 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.904 -6.172 6.448 1.00 72.33 H new ATOM 0 HA LYS B 166 -3.491 -7.568 5.773 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -5.714 -8.322 7.706 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.139 -9.084 7.602 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -4.007 -7.732 9.510 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.140 -6.826 8.285 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.963 -5.283 7.988 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -6.073 -6.302 8.883 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -3.614 -4.956 10.086 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -5.243 -4.318 10.190 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -4.962 -5.454 12.166 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -5.812 -6.580 11.220 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -4.138 -6.751 11.445 1.00 65.44 H new ATOM 755 N GLU B 167 -6.520 -8.800 5.248 1.00 75.44 N ATOM 756 CA GLU B 167 -7.338 -9.775 4.673 1.00 33.13 C ATOM 757 C GLU B 167 -7.414 -9.676 3.132 1.00 4.33 C ATOM 758 O GLU B 167 -7.358 -10.700 2.445 1.00 61.22 O ATOM 759 CB GLU B 167 -8.683 -9.612 5.338 1.00 35.41 C ATOM 760 CG GLU B 167 -9.739 -10.446 4.781 1.00 14.32 C ATOM 761 CD GLU B 167 -11.037 -10.270 5.511 1.00 71.10 C ATOM 762 OE1 GLU B 167 -11.263 -10.976 6.520 1.00 51.30 O1- ATOM 763 OE2 GLU B 167 -11.842 -9.403 5.115 1.00 34.35 O ATOM 0 H GLU B 167 -7.049 -8.097 5.764 1.00 75.44 H new ATOM 0 HA GLU B 167 -6.931 -10.773 4.839 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -8.579 -9.840 6.399 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -8.986 -8.568 5.265 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -9.879 -10.200 3.728 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -9.437 -11.492 4.826 1.00 14.32 H new ATOM 770 N ALA B 168 -7.532 -8.461 2.600 1.00 51.34 N ATOM 771 CA ALA B 168 -7.611 -8.253 1.150 1.00 12.43 C ATOM 772 C ALA B 168 -6.293 -8.617 0.489 1.00 34.44 C ATOM 773 O ALA B 168 -6.259 -9.093 -0.640 1.00 25.22 O ATOM 774 CB ALA B 168 -7.999 -6.818 0.817 1.00 40.11 C ATOM 0 H ALA B 168 -7.575 -7.603 3.150 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.390 -8.908 0.759 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -8.049 -6.696 -0.265 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.973 -6.594 1.253 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -7.253 -6.136 1.225 1.00 40.11 H new ATOM 780 N GLY B 169 -5.214 -8.399 1.201 1.00 34.33 N ATOM 781 CA GLY B 169 -3.942 -8.801 0.702 1.00 34.02 C ATOM 782 C GLY B 169 -2.999 -7.666 0.423 1.00 4.54 C ATOM 783 O GLY B 169 -2.486 -7.537 -0.690 1.00 31.44 O ATOM 0 H GLY B 169 -5.200 -7.950 2.117 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -3.478 -9.474 1.423 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -4.089 -9.370 -0.216 1.00 34.02 H new ATOM 787 N ALA B 170 -2.741 -6.836 1.423 1.00 35.41 N ATOM 788 CA ALA B 170 -1.724 -5.805 1.276 1.00 34.41 C ATOM 789 C ALA B 170 -0.354 -6.452 1.287 1.00 73.04 C ATOM 790 O ALA B 170 0.590 -5.917 0.748 1.00 1.24 O ATOM 791 CB ALA B 170 -1.852 -4.740 2.335 1.00 13.24 C ATOM 0 H ALA B 170 -3.211 -6.854 2.328 1.00 35.41 H new ATOM 0 HA ALA B 170 -1.866 -5.300 0.321 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.075 -3.989 2.191 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -2.832 -4.268 2.260 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -1.742 -5.192 3.321 1.00 13.24 H new ATOM 797 N LEU B 171 -0.287 -7.644 1.881 1.00 61.22 N ATOM 798 CA LEU B 171 0.918 -8.465 1.875 1.00 71.22 C ATOM 799 C LEU B 171 1.219 -8.913 0.450 1.00 54.15 C ATOM 800 O LEU B 171 2.378 -8.956 0.022 1.00 23.24 O ATOM 801 CB LEU B 171 0.719 -9.690 2.761 1.00 35.44 C ATOM 802 CG LEU B 171 0.475 -9.419 4.244 1.00 71.12 C ATOM 803 CD1 LEU B 171 0.263 -10.718 4.981 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.644 -8.652 4.850 1.00 11.20 C ATOM 0 H LEU B 171 -1.070 -8.066 2.380 1.00 61.22 H new ATOM 0 HA LEU B 171 1.752 -7.878 2.259 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.126 -10.259 2.373 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.600 -10.325 2.670 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.423 -8.808 4.341 1.00 71.12 H new ATOM 0 HD11 LEU B 171 0.090 -10.513 6.037 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -0.602 -11.235 4.565 1.00 70.51 H new ATOM 0 HD13 LEU B 171 1.147 -11.346 4.873 1.00 70.51 H new ATOM 0 HD21 LEU B 171 1.450 -8.469 5.907 1.00 11.20 H new ATOM 0 HD22 LEU B 171 2.557 -9.238 4.744 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.762 -7.700 4.333 1.00 11.20 H new ATOM 816 N GLU B 172 0.155 -9.231 -0.278 1.00 61.41 N ATOM 817 CA GLU B 172 0.241 -9.606 -1.673 1.00 12.34 C ATOM 818 C GLU B 172 0.692 -8.395 -2.465 1.00 12.03 C ATOM 819 O GLU B 172 1.688 -8.442 -3.167 1.00 11.21 O ATOM 820 CB GLU B 172 -1.134 -10.090 -2.166 1.00 22.42 C ATOM 821 CG GLU B 172 -1.189 -10.471 -3.637 1.00 4.33 C ATOM 822 CD GLU B 172 -0.296 -11.632 -3.968 1.00 14.33 C ATOM 823 OE1 GLU B 172 0.903 -11.426 -4.238 1.00 71.05 O1- ATOM 824 OE2 GLU B 172 -0.780 -12.781 -3.968 1.00 61.51 O ATOM 0 H GLU B 172 -0.796 -9.234 0.091 1.00 61.41 H new ATOM 0 HA GLU B 172 0.956 -10.418 -1.805 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -1.434 -10.952 -1.571 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -1.867 -9.305 -1.981 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -2.216 -10.719 -3.906 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -0.900 -9.612 -4.242 1.00 4.33 H new ATOM 831 N LYS B 173 -0.031 -7.294 -2.270 1.00 75.52 N ATOM 832 CA LYS B 173 0.245 -6.010 -2.923 1.00 52.14 C ATOM 833 C LYS B 173 1.709 -5.603 -2.750 1.00 13.42 C ATOM 834 O LYS B 173 2.368 -5.167 -3.705 1.00 22.05 O ATOM 835 CB LYS B 173 -0.662 -4.937 -2.316 1.00 52.11 C ATOM 836 CG LYS B 173 -1.845 -4.436 -3.165 1.00 23.24 C ATOM 837 CD LYS B 173 -3.007 -5.411 -3.360 1.00 32.34 C ATOM 838 CE LYS B 173 -2.661 -6.692 -4.071 1.00 65.44 C ATOM 839 NZ LYS B 173 -3.870 -7.468 -4.406 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.837 -7.265 -1.646 1.00 75.52 H new ATOM 0 HA LYS B 173 0.048 -6.113 -3.990 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.062 -5.326 -1.380 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -0.042 -4.077 -2.064 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.235 -3.528 -2.704 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -1.465 -4.157 -4.148 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.420 -5.658 -2.382 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -3.794 -4.905 -3.920 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -2.109 -6.465 -4.983 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -2.005 -7.293 -3.442 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -3.596 -8.344 -4.895 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -4.384 -7.705 -3.533 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.484 -6.903 -5.027 1.00 43.00 H new ATOM 853 N LEU B 174 2.192 -5.781 -1.528 1.00 32.33 N ATOM 854 CA LEU B 174 3.561 -5.499 -1.129 1.00 44.15 C ATOM 855 C LEU B 174 4.549 -6.200 -2.068 1.00 4.04 C ATOM 856 O LEU B 174 5.464 -5.567 -2.576 1.00 43.44 O ATOM 857 CB LEU B 174 3.734 -5.951 0.365 1.00 22.15 C ATOM 858 CG LEU B 174 5.074 -5.702 1.117 1.00 32.13 C ATOM 859 CD1 LEU B 174 6.184 -6.647 0.678 1.00 13.11 C ATOM 860 CD2 LEU B 174 5.513 -4.258 0.977 1.00 43.15 C ATOM 0 H LEU B 174 1.621 -6.138 -0.762 1.00 32.33 H new ATOM 0 HA LEU B 174 3.773 -4.432 -1.202 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.947 -5.465 0.941 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.539 -7.023 0.401 1.00 22.15 H new ATOM 0 HG LEU B 174 4.882 -5.912 2.169 1.00 32.13 H new ATOM 0 HD11 LEU B 174 7.093 -6.425 1.237 1.00 13.11 H new ATOM 0 HD12 LEU B 174 5.882 -7.677 0.870 1.00 13.11 H new ATOM 0 HD13 LEU B 174 6.372 -6.517 -0.388 1.00 13.11 H new ATOM 0 HD21 LEU B 174 6.452 -4.110 1.511 1.00 43.15 H new ATOM 0 HD22 LEU B 174 5.654 -4.021 -0.078 1.00 43.15 H new ATOM 0 HD23 LEU B 174 4.749 -3.603 1.397 1.00 43.15 H new ATOM 872 N GLU B 175 4.326 -7.489 -2.316 1.00 64.22 N ATOM 873 CA GLU B 175 5.184 -8.292 -3.128 1.00 34.22 C ATOM 874 C GLU B 175 5.354 -7.715 -4.530 1.00 30.54 C ATOM 875 O GLU B 175 6.487 -7.613 -5.026 1.00 40.22 O ATOM 876 CB GLU B 175 4.618 -9.678 -3.233 1.00 31.20 C ATOM 877 CG GLU B 175 5.624 -10.640 -3.727 1.00 63.55 C ATOM 878 CD GLU B 175 5.097 -12.021 -3.881 1.00 72.13 C ATOM 879 OE1 GLU B 175 5.040 -12.764 -2.877 1.00 5.21 O ATOM 880 OE2 GLU B 175 4.751 -12.410 -5.010 1.00 12.05 O1- ATOM 0 H GLU B 175 3.524 -7.997 -1.943 1.00 64.22 H new ATOM 0 HA GLU B 175 6.164 -8.311 -2.652 1.00 34.22 H new ATOM 0 HB2 GLU B 175 4.256 -9.999 -2.256 1.00 31.20 H new ATOM 0 HB3 GLU B 175 3.760 -9.671 -3.905 1.00 31.20 H new ATOM 0 HG2 GLU B 175 6.004 -10.295 -4.689 1.00 63.55 H new ATOM 0 HG3 GLU B 175 6.469 -10.656 -3.038 1.00 63.55 H new ATOM 887 N GLN B 176 4.238 -7.359 -5.165 1.00 53.05 N ATOM 888 CA GLN B 176 4.254 -6.769 -6.493 1.00 51.12 C ATOM 889 C GLN B 176 5.061 -5.496 -6.487 1.00 15.23 C ATOM 890 O GLN B 176 6.045 -5.341 -7.217 1.00 25.45 O ATOM 891 CB GLN B 176 2.840 -6.424 -6.968 1.00 22.05 C ATOM 892 CG GLN B 176 1.975 -7.574 -7.412 1.00 3.54 C ATOM 893 CD GLN B 176 1.422 -8.446 -6.299 1.00 35.11 C ATOM 894 OE1 GLN B 176 0.346 -8.174 -5.772 1.00 25.33 O ATOM 895 NE2 GLN B 176 2.101 -9.524 -5.979 1.00 12.14 N ATOM 0 H GLN B 176 3.304 -7.473 -4.771 1.00 53.05 H new ATOM 0 HA GLN B 176 4.696 -7.504 -7.166 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.327 -5.905 -6.159 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.922 -5.720 -7.796 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.139 -7.176 -7.987 1.00 3.54 H new ATOM 0 HG3 GLN B 176 2.556 -8.202 -8.087 1.00 3.54 H new ATOM 0 HE21 GLN B 176 2.992 -9.720 -6.436 1.00 12.14 H new ATOM 0 HE22 GLN B 176 1.738 -10.165 -5.274 1.00 12.14 H new ATOM 904 N LEU B 177 4.654 -4.626 -5.616 1.00 55.23 N ATOM 905 CA LEU B 177 5.220 -3.292 -5.470 1.00 50.03 C ATOM 906 C LEU B 177 6.695 -3.288 -5.110 1.00 2.24 C ATOM 907 O LEU B 177 7.400 -2.320 -5.364 1.00 11.31 O ATOM 908 CB LEU B 177 4.416 -2.499 -4.470 1.00 4.33 C ATOM 909 CG LEU B 177 4.844 -1.062 -4.263 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.804 -0.319 -5.590 1.00 11.02 C ATOM 911 CD2 LEU B 177 3.970 -0.386 -3.216 1.00 54.44 C ATOM 0 H LEU B 177 3.896 -4.816 -4.960 1.00 55.23 H new ATOM 0 HA LEU B 177 5.159 -2.817 -6.449 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.373 -2.504 -4.786 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.460 -3.012 -3.509 1.00 4.33 H new ATOM 0 HG LEU B 177 5.868 -1.042 -3.891 1.00 13.40 H new ATOM 0 HD11 LEU B 177 5.113 0.715 -5.437 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.481 -0.799 -6.296 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.790 -0.340 -5.988 1.00 11.02 H new ATOM 0 HD21 LEU B 177 4.294 0.646 -3.082 1.00 54.44 H new ATOM 0 HD22 LEU B 177 2.931 -0.400 -3.545 1.00 54.44 H new ATOM 0 HD23 LEU B 177 4.058 -0.919 -2.269 1.00 54.44 H new ATOM 923 N GLN B 178 7.159 -4.328 -4.514 1.00 31.43 N ATOM 924 CA GLN B 178 8.596 -4.441 -4.220 1.00 34.22 C ATOM 925 C GLN B 178 9.498 -4.372 -5.468 1.00 43.53 C ATOM 926 O GLN B 178 10.661 -3.999 -5.365 1.00 33.40 O ATOM 927 CB GLN B 178 8.943 -5.638 -3.355 1.00 22.20 C ATOM 928 CG GLN B 178 8.432 -5.540 -1.922 1.00 63.12 C ATOM 929 CD GLN B 178 8.963 -4.325 -1.139 1.00 52.34 C ATOM 930 OE1 GLN B 178 9.238 -3.261 -1.695 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.111 -4.479 0.148 1.00 12.22 N ATOM 0 H GLN B 178 6.594 -5.121 -4.211 1.00 31.43 H new ATOM 0 HA GLN B 178 8.814 -3.549 -3.633 1.00 34.22 H new ATOM 0 HB2 GLN B 178 8.532 -6.537 -3.815 1.00 22.20 H new ATOM 0 HB3 GLN B 178 10.026 -5.757 -3.336 1.00 22.20 H new ATOM 0 HG2 GLN B 178 7.343 -5.498 -1.940 1.00 63.12 H new ATOM 0 HG3 GLN B 178 8.707 -6.450 -1.388 1.00 63.12 H new ATOM 0 HE21 GLN B 178 8.876 -5.370 0.585 1.00 12.22 H new ATOM 0 HE22 GLN B 178 9.461 -3.708 0.717 1.00 12.22 H new ATOM 940 N SER B 179 8.949 -4.646 -6.636 1.00 11.02 N ATOM 941 CA SER B 179 9.701 -4.555 -7.888 1.00 25.41 C ATOM 942 C SER B 179 9.713 -3.088 -8.424 1.00 10.24 C ATOM 943 O SER B 179 9.997 -2.833 -9.595 1.00 40.01 O ATOM 944 CB SER B 179 9.077 -5.509 -8.898 1.00 32.12 C ATOM 945 OG SER B 179 9.052 -6.832 -8.366 1.00 64.32 O ATOM 0 H SER B 179 7.978 -4.936 -6.751 1.00 11.02 H new ATOM 0 HA SER B 179 10.739 -4.839 -7.717 1.00 25.41 H new ATOM 0 HB2 SER B 179 8.064 -5.186 -9.139 1.00 32.12 H new ATOM 0 HB3 SER B 179 9.647 -5.492 -9.827 1.00 32.12 H new ATOM 0 HG SER B 179 8.648 -7.440 -9.020 1.00 64.32 H new ATOM 951 N HIS B 180 9.407 -2.161 -7.527 1.00 24.01 N ATOM 952 CA HIS B 180 9.373 -0.702 -7.771 1.00 14.12 C ATOM 953 C HIS B 180 10.694 -0.146 -8.295 1.00 13.51 C ATOM 954 O HIS B 180 11.761 -0.699 -8.045 1.00 60.24 O ATOM 955 CB HIS B 180 9.008 0.041 -6.463 1.00 1.42 C ATOM 956 CG HIS B 180 9.931 -0.234 -5.298 1.00 74.51 C ATOM 957 ND1 HIS B 180 9.601 -1.089 -4.284 1.00 63.40 N ATOM 958 CD2 HIS B 180 11.163 0.241 -4.996 1.00 44.44 C ATOM 959 CE1 HIS B 180 10.578 -1.137 -3.416 1.00 71.54 C ATOM 960 NE2 HIS B 180 11.537 -0.340 -3.823 1.00 34.33 N ATOM 0 H HIS B 180 9.164 -2.401 -6.566 1.00 24.01 H new ATOM 0 HA HIS B 180 8.619 -0.538 -8.541 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.004 1.113 -6.660 1.00 1.42 H new ATOM 0 HB3 HIS B 180 7.993 -0.234 -6.177 1.00 1.42 H new ATOM 0 HD1 HIS B 180 8.727 -1.610 -4.215 1.00 63.40 H new ATOM 0 HD2 HIS B 180 11.739 0.947 -5.576 1.00 44.44 H new ATOM 0 HE1 HIS B 180 10.593 -1.733 -2.515 1.00 71.54 H new ATOM 969 N GLU B 181 10.601 0.974 -8.942 1.00 2.23 N ATOM 970 CA GLU B 181 11.736 1.685 -9.467 1.00 3.54 C ATOM 971 C GLU B 181 11.911 2.963 -8.652 1.00 21.45 C ATOM 972 O GLU B 181 13.014 3.502 -8.524 1.00 41.00 O ATOM 973 CB GLU B 181 11.496 2.050 -10.932 1.00 22.41 C ATOM 974 CG GLU B 181 11.182 0.862 -11.824 1.00 21.45 C ATOM 975 CD GLU B 181 10.937 1.265 -13.248 1.00 4.11 C ATOM 976 OE1 GLU B 181 9.806 1.701 -13.572 1.00 21.44 O ATOM 977 OE2 GLU B 181 11.864 1.149 -14.083 1.00 34.25 O1- ATOM 0 H GLU B 181 9.711 1.436 -9.127 1.00 2.23 H new ATOM 0 HA GLU B 181 12.627 1.061 -9.404 1.00 3.54 H new ATOM 0 HB2 GLU B 181 10.671 2.760 -10.988 1.00 22.41 H new ATOM 0 HB3 GLU B 181 12.380 2.557 -11.318 1.00 22.41 H new ATOM 0 HG2 GLU B 181 12.010 0.154 -11.787 1.00 21.45 H new ATOM 0 HG3 GLU B 181 10.303 0.345 -11.439 1.00 21.45 H new ATOM 984 N ASN B 182 10.815 3.431 -8.098 1.00 1.10 N ATOM 985 CA ASN B 182 10.765 4.652 -7.300 1.00 51.53 C ATOM 986 C ASN B 182 11.318 4.410 -5.947 1.00 31.02 C ATOM 987 O ASN B 182 11.056 3.392 -5.291 1.00 72.11 O ATOM 988 CB ASN B 182 9.341 5.173 -7.214 1.00 70.24 C ATOM 989 CG ASN B 182 9.209 6.563 -6.633 1.00 71.13 C ATOM 990 OD1 ASN B 182 9.137 6.730 -5.427 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.128 7.553 -7.479 1.00 41.44 N ATOM 0 H ASN B 182 9.910 2.969 -8.187 1.00 1.10 H new ATOM 0 HA ASN B 182 11.377 5.410 -7.788 1.00 51.53 H new ATOM 0 HB2 ASN B 182 8.907 5.169 -8.214 1.00 70.24 H new ATOM 0 HB3 ASN B 182 8.753 4.484 -6.608 1.00 70.24 H new ATOM 0 HD21 ASN B 182 9.000 8.506 -7.138 1.00 41.44 H new ATOM 0 HD22 ASN B 182 9.193 7.374 -8.481 1.00 41.44 H new ATOM 998 N GLU B 183 12.046 5.370 -5.543 1.00 21.41 N ATOM 999 CA GLU B 183 12.804 5.355 -4.374 1.00 75.53 C ATOM 1000 C GLU B 183 11.935 5.631 -3.135 1.00 53.13 C ATOM 1001 O GLU B 183 12.172 5.082 -2.067 1.00 62.23 O ATOM 1002 CB GLU B 183 13.864 6.400 -4.583 1.00 4.41 C ATOM 1003 CG GLU B 183 13.405 7.840 -4.382 1.00 71.12 C ATOM 1004 CD GLU B 183 14.320 8.834 -5.023 1.00 70.35 C ATOM 1005 OE1 GLU B 183 14.124 9.130 -6.218 1.00 74.32 O ATOM 1006 OE2 GLU B 183 15.246 9.346 -4.356 1.00 10.34 O1- ATOM 0 H GLU B 183 12.130 6.245 -6.060 1.00 21.41 H new ATOM 0 HA GLU B 183 13.249 4.378 -4.184 1.00 75.53 H new ATOM 0 HB2 GLU B 183 14.689 6.200 -3.899 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.257 6.299 -5.595 1.00 4.41 H new ATOM 0 HG2 GLU B 183 12.402 7.958 -4.793 1.00 71.12 H new ATOM 0 HG3 GLU B 183 13.338 8.050 -3.314 1.00 71.12 H new ATOM 1013 N LYS B 184 10.885 6.422 -3.313 1.00 31.52 N ATOM 1014 CA LYS B 184 10.016 6.799 -2.220 1.00 55.01 C ATOM 1015 C LYS B 184 9.040 5.686 -1.922 1.00 72.22 C ATOM 1016 O LYS B 184 8.484 5.591 -0.815 1.00 13.24 O ATOM 1017 CB LYS B 184 9.270 8.085 -2.546 1.00 13.15 C ATOM 1018 CG LYS B 184 10.161 9.306 -2.678 1.00 23.11 C ATOM 1019 CD LYS B 184 9.395 10.560 -3.123 1.00 51.20 C ATOM 1020 CE LYS B 184 8.439 11.156 -2.062 1.00 41.21 C ATOM 1021 NZ LYS B 184 7.248 10.313 -1.751 1.00 13.42 N1+ ATOM 0 H LYS B 184 10.618 6.815 -4.215 1.00 31.52 H new ATOM 0 HA LYS B 184 10.629 6.974 -1.336 1.00 55.01 H new ATOM 0 HB2 LYS B 184 8.722 7.947 -3.478 1.00 13.15 H new ATOM 0 HB3 LYS B 184 8.532 8.271 -1.766 1.00 13.15 H new ATOM 0 HG2 LYS B 184 10.644 9.502 -1.721 1.00 23.11 H new ATOM 0 HG3 LYS B 184 10.953 9.096 -3.397 1.00 23.11 H new ATOM 0 HD2 LYS B 184 10.117 11.325 -3.410 1.00 51.20 H new ATOM 0 HD3 LYS B 184 8.817 10.317 -4.015 1.00 51.20 H new ATOM 0 HE2 LYS B 184 8.999 11.323 -1.142 1.00 41.21 H new ATOM 0 HE3 LYS B 184 8.096 12.131 -2.409 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 6.412 10.921 -1.639 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 7.086 9.641 -2.528 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 7.415 9.789 -0.869 1.00 13.42 H new ATOM 1035 N ILE B 185 8.841 4.833 -2.914 1.00 60.21 N ATOM 1036 CA ILE B 185 7.978 3.676 -2.797 1.00 75.21 C ATOM 1037 C ILE B 185 8.473 2.730 -1.696 1.00 0.43 C ATOM 1038 O ILE B 185 7.675 2.056 -1.064 1.00 60.43 O ATOM 1039 CB ILE B 185 7.816 2.937 -4.153 1.00 72.20 C ATOM 1040 CG1 ILE B 185 7.021 3.799 -5.138 1.00 53.13 C ATOM 1041 CG2 ILE B 185 7.143 1.586 -3.977 1.00 64.03 C ATOM 1042 CD1 ILE B 185 5.585 4.049 -4.745 1.00 52.31 C ATOM 0 H ILE B 185 9.279 4.928 -3.830 1.00 60.21 H new ATOM 0 HA ILE B 185 6.989 4.033 -2.510 1.00 75.21 H new ATOM 0 HB ILE B 185 8.814 2.763 -4.555 1.00 72.20 H new ATOM 0 HG12 ILE B 185 7.525 4.759 -5.248 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.037 3.317 -6.116 1.00 53.13 H new ATOM 0 HG21 ILE B 185 7.047 1.098 -4.947 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.745 0.963 -3.316 1.00 64.03 H new ATOM 0 HG23 ILE B 185 6.154 1.726 -3.542 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.103 4.668 -5.502 1.00 52.31 H new ATOM 0 HD12 ILE B 185 5.059 3.098 -4.665 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.555 4.562 -3.784 1.00 52.31 H new ATOM 1054 N GLN B 186 9.792 2.702 -1.471 1.00 51.04 N ATOM 1055 CA GLN B 186 10.375 1.950 -0.343 1.00 13.34 C ATOM 1056 C GLN B 186 9.636 2.241 0.951 1.00 43.21 C ATOM 1057 O GLN B 186 9.168 1.325 1.621 1.00 14.42 O ATOM 1058 CB GLN B 186 11.859 2.273 -0.167 1.00 3.31 C ATOM 1059 CG GLN B 186 12.777 1.348 -0.922 1.00 30.13 C ATOM 1060 CD GLN B 186 12.727 -0.063 -0.361 1.00 33.34 C ATOM 1061 OE1 GLN B 186 11.913 -0.877 -0.773 1.00 41.14 O ATOM 1062 NE2 GLN B 186 13.579 -0.358 0.577 1.00 12.44 N ATOM 0 H GLN B 186 10.477 3.188 -2.050 1.00 51.04 H new ATOM 0 HA GLN B 186 10.272 0.891 -0.579 1.00 13.34 H new ATOM 0 HB2 GLN B 186 12.040 3.297 -0.495 1.00 3.31 H new ATOM 0 HB3 GLN B 186 12.107 2.230 0.893 1.00 3.31 H new ATOM 0 HG2 GLN B 186 12.495 1.333 -1.975 1.00 30.13 H new ATOM 0 HG3 GLN B 186 13.798 1.725 -0.871 1.00 30.13 H new ATOM 0 HE21 GLN B 186 14.246 0.343 0.899 1.00 12.44 H new ATOM 0 HE22 GLN B 186 13.580 -1.291 0.990 1.00 12.44 H new ATOM 1071 N LYS B 187 9.478 3.518 1.241 1.00 22.52 N ATOM 1072 CA LYS B 187 8.797 3.982 2.430 1.00 74.33 C ATOM 1073 C LYS B 187 7.317 3.633 2.347 1.00 72.42 C ATOM 1074 O LYS B 187 6.742 3.156 3.308 1.00 44.24 O ATOM 1075 CB LYS B 187 8.995 5.493 2.537 1.00 51.52 C ATOM 1076 CG LYS B 187 8.745 6.101 3.914 1.00 61.53 C ATOM 1077 CD LYS B 187 7.454 6.900 4.007 1.00 22.21 C ATOM 1078 CE LYS B 187 6.209 6.051 4.158 1.00 31.44 C ATOM 1079 NZ LYS B 187 4.968 6.842 4.003 1.00 31.33 N1+ ATOM 0 H LYS B 187 9.825 4.272 0.647 1.00 22.52 H new ATOM 0 HA LYS B 187 9.206 3.499 3.317 1.00 74.33 H new ATOM 0 HB2 LYS B 187 10.016 5.728 2.237 1.00 51.52 H new ATOM 0 HB3 LYS B 187 8.332 5.979 1.821 1.00 51.52 H new ATOM 0 HG2 LYS B 187 8.721 5.302 4.655 1.00 61.53 H new ATOM 0 HG3 LYS B 187 9.582 6.750 4.172 1.00 61.53 H new ATOM 0 HD2 LYS B 187 7.521 7.581 4.856 1.00 22.21 H new ATOM 0 HD3 LYS B 187 7.355 7.515 3.112 1.00 22.21 H new ATOM 0 HE2 LYS B 187 6.224 5.253 3.416 1.00 31.44 H new ATOM 0 HE3 LYS B 187 6.214 5.574 5.138 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 4.226 6.447 4.615 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 5.150 7.830 4.272 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 4.655 6.806 3.012 1.00 31.33 H new ATOM 1093 N GLU B 188 6.721 3.840 1.186 1.00 1.40 N ATOM 1094 CA GLU B 188 5.285 3.595 0.988 1.00 41.11 C ATOM 1095 C GLU B 188 4.928 2.116 1.179 1.00 55.30 C ATOM 1096 O GLU B 188 3.880 1.782 1.737 1.00 1.32 O ATOM 1097 CB GLU B 188 4.839 4.076 -0.385 1.00 0.21 C ATOM 1098 CG GLU B 188 5.110 5.550 -0.649 1.00 71.14 C ATOM 1099 CD GLU B 188 4.524 6.468 0.409 1.00 11.41 C ATOM 1100 OE1 GLU B 188 3.366 6.842 0.315 1.00 31.44 O ATOM 1101 OE2 GLU B 188 5.246 6.841 1.349 1.00 62.41 O1- ATOM 0 H GLU B 188 7.205 4.179 0.355 1.00 1.40 H new ATOM 0 HA GLU B 188 4.752 4.165 1.749 1.00 41.11 H new ATOM 0 HB2 GLU B 188 5.345 3.483 -1.147 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.771 3.890 -0.493 1.00 0.21 H new ATOM 0 HG2 GLU B 188 6.187 5.710 -0.703 1.00 71.14 H new ATOM 0 HG3 GLU B 188 4.699 5.819 -1.622 1.00 71.14 H new ATOM 1108 N ALA B 189 5.808 1.246 0.732 1.00 22.15 N ATOM 1109 CA ALA B 189 5.639 -0.181 0.904 1.00 34.34 C ATOM 1110 C ALA B 189 5.726 -0.524 2.389 1.00 10.01 C ATOM 1111 O ALA B 189 4.917 -1.296 2.918 1.00 70.11 O ATOM 1112 CB ALA B 189 6.695 -0.935 0.105 1.00 52.44 C ATOM 0 H ALA B 189 6.661 1.508 0.239 1.00 22.15 H new ATOM 0 HA ALA B 189 4.660 -0.482 0.532 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.558 -2.008 0.242 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.596 -0.689 -0.952 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.688 -0.649 0.453 1.00 52.44 H new ATOM 1118 N GLN B 190 6.689 0.098 3.068 1.00 64.45 N ATOM 1119 CA GLN B 190 6.868 -0.077 4.500 1.00 73.23 C ATOM 1120 C GLN B 190 5.673 0.457 5.272 1.00 61.30 C ATOM 1121 O GLN B 190 5.328 -0.083 6.290 1.00 21.21 O ATOM 1122 CB GLN B 190 8.142 0.596 4.982 1.00 2.33 C ATOM 1123 CG GLN B 190 9.390 0.034 4.351 1.00 20.12 C ATOM 1124 CD GLN B 190 10.650 0.735 4.802 1.00 2.31 C ATOM 1125 OE1 GLN B 190 10.638 1.924 5.135 1.00 32.22 O ATOM 1126 NE2 GLN B 190 11.750 0.030 4.783 1.00 62.14 N ATOM 0 H GLN B 190 7.362 0.734 2.639 1.00 64.45 H new ATOM 0 HA GLN B 190 6.951 -1.148 4.687 1.00 73.23 H new ATOM 0 HB2 GLN B 190 8.084 1.663 4.768 1.00 2.33 H new ATOM 0 HB3 GLN B 190 8.212 0.492 6.065 1.00 2.33 H new ATOM 0 HG2 GLN B 190 9.466 -1.026 4.592 1.00 20.12 H new ATOM 0 HG3 GLN B 190 9.307 0.110 3.267 1.00 20.12 H new ATOM 0 HE21 GLN B 190 11.723 -0.950 4.502 1.00 62.14 H new ATOM 0 HE22 GLN B 190 12.636 0.460 5.049 1.00 62.14 H new ATOM 1135 N GLU B 191 5.047 1.505 4.749 1.00 20.43 N ATOM 1136 CA GLU B 191 3.866 2.121 5.353 1.00 21.04 C ATOM 1137 C GLU B 191 2.762 1.075 5.519 1.00 11.53 C ATOM 1138 O GLU B 191 2.205 0.926 6.601 1.00 43.14 O ATOM 1139 CB GLU B 191 3.368 3.268 4.461 1.00 13.23 C ATOM 1140 CG GLU B 191 2.251 4.126 5.051 1.00 73.14 C ATOM 1141 CD GLU B 191 2.711 4.962 6.224 1.00 25.30 C ATOM 1142 OE1 GLU B 191 3.739 5.643 6.112 1.00 63.00 O ATOM 1143 OE2 GLU B 191 2.027 4.999 7.261 1.00 14.54 O1- ATOM 0 H GLU B 191 5.346 1.957 3.885 1.00 20.43 H new ATOM 0 HA GLU B 191 4.130 2.518 6.333 1.00 21.04 H new ATOM 0 HB2 GLU B 191 4.213 3.915 4.226 1.00 13.23 H new ATOM 0 HB3 GLU B 191 3.018 2.846 3.519 1.00 13.23 H new ATOM 0 HG2 GLU B 191 1.855 4.782 4.276 1.00 73.14 H new ATOM 0 HG3 GLU B 191 1.433 3.480 5.370 1.00 73.14 H new ATOM 1150 N ALA B 192 2.486 0.329 4.446 1.00 12.05 N ATOM 1151 CA ALA B 192 1.453 -0.712 4.464 1.00 52.44 C ATOM 1152 C ALA B 192 1.872 -1.868 5.367 1.00 63.31 C ATOM 1153 O ALA B 192 1.062 -2.384 6.152 1.00 62.12 O ATOM 1154 CB ALA B 192 1.175 -1.224 3.048 1.00 12.11 C ATOM 0 H ALA B 192 2.965 0.427 3.551 1.00 12.05 H new ATOM 0 HA ALA B 192 0.537 -0.273 4.860 1.00 52.44 H new ATOM 0 HB1 ALA B 192 0.406 -1.995 3.085 1.00 12.11 H new ATOM 0 HB2 ALA B 192 0.832 -0.399 2.424 1.00 12.11 H new ATOM 0 HB3 ALA B 192 2.089 -1.643 2.626 1.00 12.11 H new ATOM 1160 N LEU B 193 3.153 -2.220 5.268 1.00 21.32 N ATOM 1161 CA LEU B 193 3.795 -3.298 6.012 1.00 65.15 C ATOM 1162 C LEU B 193 3.523 -3.109 7.490 1.00 0.51 C ATOM 1163 O LEU B 193 2.860 -3.911 8.150 1.00 31.01 O ATOM 1164 CB LEU B 193 5.307 -3.150 5.740 1.00 24.10 C ATOM 1165 CG LEU B 193 6.275 -4.223 6.231 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.492 -4.254 5.316 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.739 -3.869 7.628 1.00 3.03 C ATOM 0 H LEU B 193 3.798 -1.740 4.640 1.00 21.32 H new ATOM 0 HA LEU B 193 3.427 -4.280 5.716 1.00 65.15 H new ATOM 0 HB2 LEU B 193 5.436 -3.065 4.661 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.624 -2.202 6.175 1.00 24.10 H new ATOM 0 HG LEU B 193 5.776 -5.192 6.231 1.00 35.55 H new ATOM 0 HD11 LEU B 193 8.188 -5.019 5.662 1.00 41.22 H new ATOM 0 HD12 LEU B 193 7.176 -4.484 4.298 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.984 -3.282 5.332 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.431 -4.631 7.986 1.00 3.03 H new ATOM 0 HD22 LEU B 193 7.242 -2.902 7.610 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.879 -3.818 8.295 1.00 3.03 H new ATOM 1179 N GLU B 194 4.002 -2.002 7.947 1.00 32.42 N ATOM 1180 CA GLU B 194 3.946 -1.532 9.215 1.00 1.13 C ATOM 1181 C GLU B 194 2.546 -1.532 9.789 1.00 25.31 C ATOM 1182 O GLU B 194 2.268 -2.156 10.820 1.00 45.10 O ATOM 1183 CB GLU B 194 4.414 -0.141 9.044 1.00 42.50 C ATOM 1184 CG GLU B 194 4.258 0.619 10.244 1.00 61.52 C ATOM 1185 CD GLU B 194 4.898 1.963 10.210 1.00 43.35 C ATOM 1186 OE1 GLU B 194 4.240 2.939 9.812 1.00 14.30 O1- ATOM 1187 OE2 GLU B 194 6.061 2.082 10.612 1.00 73.13 O ATOM 0 H GLU B 194 4.495 -1.355 7.332 1.00 32.42 H new ATOM 0 HA GLU B 194 4.528 -2.142 9.906 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.463 -0.144 8.748 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.856 0.334 8.237 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.194 0.742 10.446 1.00 61.52 H new ATOM 0 HG3 GLU B 194 4.677 0.052 11.075 1.00 61.52 H new ATOM 1194 N LYS B 195 1.719 -0.814 9.102 1.00 35.45 N ATOM 1195 CA LYS B 195 0.384 -0.527 9.425 1.00 0.22 C ATOM 1196 C LYS B 195 -0.416 -1.764 9.800 1.00 34.32 C ATOM 1197 O LYS B 195 -1.068 -1.789 10.848 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.177 0.056 8.194 1.00 52.22 C ATOM 1199 CG LYS B 195 -1.429 0.836 8.348 1.00 23.11 C ATOM 1200 CD LYS B 195 -1.185 2.163 9.067 1.00 42.32 C ATOM 1201 CE LYS B 195 -0.223 3.051 8.274 1.00 61.10 C ATOM 1202 NZ LYS B 195 0.020 4.348 8.920 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.999 -0.380 8.223 1.00 35.45 H new ATOM 0 HA LYS B 195 0.337 0.132 10.292 1.00 0.22 H new ATOM 0 HB2 LYS B 195 0.577 0.704 7.748 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -0.362 -0.752 7.486 1.00 52.22 H new ATOM 0 HG2 LYS B 195 -1.861 1.029 7.366 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -2.157 0.248 8.907 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -2.132 2.683 9.208 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -0.775 1.973 10.059 1.00 42.32 H new ATOM 0 HE2 LYS B 195 0.726 2.529 8.149 1.00 61.10 H new ATOM 0 HE3 LYS B 195 -0.629 3.218 7.276 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 0.691 4.900 8.348 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 -0.877 4.869 9.001 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 0.418 4.194 9.868 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.372 -2.788 8.969 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.145 -3.919 9.193 1.00 65.11 C ATOM 1218 C LEU B 196 -0.477 -4.908 10.113 1.00 32.01 C ATOM 1219 O LEU B 196 -1.161 -5.569 10.887 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.480 -4.561 7.871 1.00 75.42 C ATOM 1221 CG LEU B 196 -0.405 -5.380 7.140 1.00 24.30 C ATOM 1222 CD1 LEU B 196 -0.534 -6.867 7.476 1.00 63.01 C ATOM 1223 CD2 LEU B 196 -0.495 -5.147 5.653 1.00 63.35 C ATOM 0 H LEU B 196 0.210 -2.826 8.132 1.00 42.45 H new ATOM 0 HA LEU B 196 -2.059 -3.605 9.696 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -2.337 -5.215 8.032 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.805 -3.770 7.195 1.00 75.42 H new ATOM 0 HG LEU B 196 0.577 -5.049 7.478 1.00 24.30 H new ATOM 0 HD11 LEU B 196 0.237 -7.428 6.947 1.00 63.01 H new ATOM 0 HD12 LEU B 196 -0.414 -7.009 8.550 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -1.517 -7.225 7.170 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.272 -5.733 5.146 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -1.479 -5.451 5.296 1.00 63.35 H new ATOM 0 HD23 LEU B 196 -0.343 -4.089 5.441 1.00 63.35 H new ATOM 1235 N GLN B 197 0.840 -5.037 10.019 1.00 54.12 N ATOM 1236 CA GLN B 197 1.521 -6.037 10.802 1.00 1.52 C ATOM 1237 C GLN B 197 1.502 -5.696 12.284 1.00 14.31 C ATOM 1238 O GLN B 197 1.982 -4.628 12.705 1.00 23.34 O ATOM 1239 CB GLN B 197 2.931 -6.344 10.317 1.00 12.04 C ATOM 1240 CG GLN B 197 2.996 -6.954 8.921 1.00 14.33 C ATOM 1241 CD GLN B 197 4.375 -7.472 8.588 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.218 -6.753 8.065 1.00 54.42 O ATOM 1243 NE2 GLN B 197 4.621 -8.713 8.900 1.00 34.25 N ATOM 0 H GLN B 197 1.440 -4.471 9.419 1.00 54.12 H new ATOM 0 HA GLN B 197 0.955 -6.957 10.657 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.514 -5.423 10.326 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.404 -7.028 11.022 1.00 12.04 H new ATOM 0 HG2 GLN B 197 2.276 -7.769 8.849 1.00 14.33 H new ATOM 0 HG3 GLN B 197 2.704 -6.205 8.185 1.00 14.33 H new ATOM 0 HE21 GLN B 197 3.895 -9.283 9.335 1.00 34.25 H new ATOM 0 HE22 GLN B 197 5.539 -9.114 8.710 1.00 34.25 H new ATOM 1252 N SER B 198 0.935 -6.577 13.050 1.00 33.54 N ATOM 1253 CA SER B 198 0.734 -6.379 14.459 1.00 12.43 C ATOM 1254 C SER B 198 2.019 -6.617 15.273 1.00 1.54 C ATOM 1255 O SER B 198 2.818 -7.505 14.962 1.00 24.20 O ATOM 1256 CB SER B 198 -0.376 -7.321 14.925 1.00 25.00 C ATOM 1257 OG SER B 198 -1.524 -7.202 14.087 1.00 4.45 O ATOM 0 H SER B 198 0.590 -7.474 12.709 1.00 33.54 H new ATOM 0 HA SER B 198 0.450 -5.340 14.627 1.00 12.43 H new ATOM 0 HB2 SER B 198 -0.016 -8.350 14.912 1.00 25.00 H new ATOM 0 HB3 SER B 198 -0.646 -7.090 15.955 1.00 25.00 H new ATOM 0 HG SER B 198 -2.223 -7.814 14.400 1.00 4.45 H new ATOM 1263 N HIS B 199 2.208 -5.799 16.278 1.00 64.41 N ATOM 1264 CA HIS B 199 3.291 -5.907 17.236 1.00 72.30 C ATOM 1265 C HIS B 199 2.756 -5.497 18.565 1.00 63.44 C ATOM 1266 O HIS B 199 2.469 -6.378 19.383 1.00 64.51 O ATOM 1267 CB HIS B 199 4.530 -5.057 16.888 1.00 55.12 C ATOM 1268 CG HIS B 199 5.403 -5.628 15.827 1.00 44.44 C ATOM 1269 ND1 HIS B 199 5.608 -5.030 14.607 1.00 1.01 N ATOM 1270 CD2 HIS B 199 6.179 -6.733 15.834 1.00 11.40 C ATOM 1271 CE1 HIS B 199 6.471 -5.743 13.916 1.00 1.32 C ATOM 1272 NE2 HIS B 199 6.829 -6.780 14.639 1.00 12.31 N ATOM 0 H HIS B 199 1.591 -5.008 16.462 1.00 64.41 H new ATOM 0 HA HIS B 199 3.638 -6.940 17.230 1.00 72.30 H new ATOM 0 HB2 HIS B 199 4.197 -4.068 16.571 1.00 55.12 H new ATOM 0 HB3 HIS B 199 5.124 -4.919 17.792 1.00 55.12 H new ATOM 0 HD2 HIS B 199 6.268 -7.447 16.639 1.00 11.40 H new ATOM 0 HE1 HIS B 199 6.826 -5.514 12.922 1.00 1.32 H new ATOM 0 HE2 HIS B 199 7.488 -7.504 14.351 1.00 12.31 H new