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 180 HIS : no HE2:sc= 0.0533 K(o=-0.14,f=-5.3!) USER MOD Set 1.2: B 186 GLN : amide:sc= -0.192 K(o=-0.14,f=-5.3) USER MOD Set 2.1: B 152 SER OG : rot 180:sc= -0.054 USER MOD Set 2.2: B 195 LYS NZ :NH3+ -91:sc= 1.02 (180deg=-0.388) USER MOD Set 3.1: B 145 GLN : amide:sc= -2.4! K(o=-1.6!,f=-3.5) USER MOD Set 3.2: B 184 LYS NZ :NH3+ -169:sc= 0.851 (180deg=0) USER MOD Set 4.1: B 134 GLN : amide:sc= 0.929 K(o=2.1,f=-8.6!) USER MOD Set 4.2: B 173 LYS NZ :NH3+ 150:sc= 1.13 (180deg=0) USER MOD Single : B 137 SER OG : rot -35:sc= 0.182 USER MOD Single : B 138 SER OG : rot -107:sc= -0.652 USER MOD Single : B 140 ASN : amide:sc= -10.3! C(o=-10!,f=-19!) USER MOD Single : B 142 GLN : amide:sc= -0.0866 X(o=-0.087,f=-0.076) USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 159 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1) USER MOD Single : B 161 GLN : amide:sc= -2.29 K(o=-2.3,f=-8.9!) USER MOD Single : B 162 LYS NZ :NH3+ 147:sc= 1.28 (180deg=1.02) USER MOD Single : B 163 GLN :FLIP amide:sc= -0.0276 F(o=-1.2!,f=-0.028) USER MOD Single : B 166 LYS NZ :NH3+ -157:sc= -0.0856 (180deg=-0.572) USER MOD Single : B 176 GLN : amide:sc= 0.47 K(o=0.47,f=-0.23) USER MOD Single : B 178 GLN : amide:sc= -1.94! C(o=-1.9!,f=-6.7!) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 182 ASN : amide:sc= 0.742 K(o=0.74,f=-8.8!) USER MOD Single : B 187 LYS NZ :NH3+ -171:sc=-0.00431 (180deg=-0.0908) USER MOD Single : B 190 GLN : amide:sc= 0.352 X(o=0.35,f=0) USER MOD Single : B 197 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.7!) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.900 -3.265 0.088 1.00 55.53 N ATOM 177 CA LEU B 129 -12.754 -3.183 1.004 1.00 45.21 C ATOM 178 C LEU B 129 -11.382 -3.276 0.296 1.00 33.52 C ATOM 179 O LEU B 129 -10.503 -2.479 0.597 1.00 22.43 O ATOM 180 CB LEU B 129 -12.830 -4.203 2.170 1.00 71.14 C ATOM 181 CG LEU B 129 -13.837 -3.924 3.305 1.00 72.10 C ATOM 182 CD1 LEU B 129 -15.273 -3.982 2.826 1.00 71.02 C ATOM 183 CD2 LEU B 129 -13.622 -4.896 4.445 1.00 45.41 C ATOM 0 HA LEU B 129 -12.829 -2.183 1.430 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -13.065 -5.179 1.746 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -11.837 -4.279 2.614 1.00 71.14 H new ATOM 0 HG LEU B 129 -13.656 -2.908 3.657 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -15.944 -3.779 3.661 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -15.427 -3.235 2.047 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -15.483 -4.973 2.425 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -14.339 -4.689 5.240 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -13.763 -5.915 4.086 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -12.609 -4.785 4.832 1.00 45.41 H new ATOM 195 N PRO B 130 -11.150 -4.251 -0.659 1.00 0.32 N ATOM 196 CA PRO B 130 -9.867 -4.358 -1.389 1.00 63.11 C ATOM 197 C PRO B 130 -9.433 -3.083 -2.085 1.00 21.50 C ATOM 198 O PRO B 130 -8.271 -2.924 -2.382 1.00 1.14 O ATOM 199 CB PRO B 130 -10.145 -5.417 -2.437 1.00 74.52 C ATOM 200 CG PRO B 130 -11.145 -6.288 -1.799 1.00 3.43 C ATOM 201 CD PRO B 130 -12.056 -5.356 -1.063 1.00 14.32 C ATOM 0 HA PRO B 130 -9.059 -4.585 -0.694 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.527 -4.977 -3.358 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.242 -5.969 -2.698 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -11.692 -6.871 -2.540 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.674 -6.998 -1.119 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.868 -5.000 -1.698 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.514 -5.838 -0.199 1.00 14.32 H new ATOM 209 N ALA B 131 -10.358 -2.170 -2.305 1.00 12.31 N ATOM 210 CA ALA B 131 -10.080 -0.927 -3.012 1.00 41.31 C ATOM 211 C ALA B 131 -8.957 -0.131 -2.362 1.00 3.12 C ATOM 212 O ALA B 131 -8.165 0.503 -3.049 1.00 52.45 O ATOM 213 CB ALA B 131 -11.322 -0.093 -3.116 1.00 12.14 C ATOM 0 H ALA B 131 -11.327 -2.265 -2.000 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.746 -1.195 -4.014 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.096 0.832 -3.647 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.087 -0.646 -3.660 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -11.687 0.143 -2.116 1.00 12.14 H new ATOM 219 N LEU B 132 -8.867 -0.208 -1.048 1.00 31.23 N ATOM 220 CA LEU B 132 -7.824 0.486 -0.320 1.00 71.30 C ATOM 221 C LEU B 132 -6.456 -0.179 -0.557 1.00 32.55 C ATOM 222 O LEU B 132 -5.417 0.458 -0.482 1.00 34.51 O ATOM 223 CB LEU B 132 -8.194 0.593 1.189 1.00 34.00 C ATOM 224 CG LEU B 132 -8.466 -0.722 1.960 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.194 -1.452 2.349 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.351 -0.478 3.170 1.00 65.03 C ATOM 0 H LEU B 132 -9.506 -0.746 -0.462 1.00 31.23 H new ATOM 0 HA LEU B 132 -7.741 1.505 -0.698 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.384 1.117 1.696 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.082 1.220 1.273 1.00 34.00 H new ATOM 0 HG LEU B 132 -9.000 -1.377 1.272 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.449 -2.365 2.886 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.630 -1.704 1.451 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.588 -0.811 2.990 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.524 -1.420 3.690 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -8.860 0.224 3.844 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.305 -0.063 2.845 1.00 65.03 H new ATOM 238 N VAL B 133 -6.470 -1.469 -0.827 1.00 20.30 N ATOM 239 CA VAL B 133 -5.250 -2.191 -1.076 1.00 2.44 C ATOM 240 C VAL B 133 -4.829 -2.085 -2.516 1.00 41.43 C ATOM 241 O VAL B 133 -3.660 -2.246 -2.863 1.00 11.14 O ATOM 242 CB VAL B 133 -5.347 -3.657 -0.648 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.828 -4.608 -1.703 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.109 -4.106 0.007 1.00 60.04 C ATOM 0 H VAL B 133 -7.317 -2.035 -0.878 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.482 -1.721 -0.462 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.149 -3.682 0.090 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.859 -5.618 -1.295 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.827 -4.316 -2.028 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.148 -4.581 -2.554 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.210 -5.151 0.299 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.273 -4.002 -0.685 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -3.925 -3.498 0.893 1.00 60.04 H new ATOM 254 N GLN B 134 -5.799 -1.815 -3.345 1.00 51.03 N ATOM 255 CA GLN B 134 -5.619 -1.801 -4.778 1.00 1.43 C ATOM 256 C GLN B 134 -4.555 -0.810 -5.229 1.00 10.22 C ATOM 257 O GLN B 134 -3.793 -1.084 -6.156 1.00 3.33 O ATOM 258 CB GLN B 134 -6.933 -1.572 -5.536 1.00 62.21 C ATOM 259 CG GLN B 134 -7.933 -2.703 -5.395 1.00 72.32 C ATOM 260 CD GLN B 134 -7.413 -3.998 -5.964 1.00 12.24 C ATOM 261 OE1 GLN B 134 -6.757 -4.778 -5.278 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.725 -4.255 -7.198 1.00 42.35 N ATOM 0 H GLN B 134 -6.749 -1.595 -3.045 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.263 -2.799 -5.033 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.391 -0.650 -5.178 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.710 -1.428 -6.593 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.175 -2.842 -4.341 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.859 -2.432 -5.901 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.271 -3.583 -7.737 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -7.424 -5.129 -7.629 1.00 42.35 H new ATOM 271 N LEU B 135 -4.468 0.304 -4.531 1.00 31.00 N ATOM 272 CA LEU B 135 -3.514 1.343 -4.868 1.00 53.40 C ATOM 273 C LEU B 135 -2.109 0.935 -4.529 1.00 44.52 C ATOM 274 O LEU B 135 -1.194 1.375 -5.166 1.00 61.22 O ATOM 275 CB LEU B 135 -3.842 2.699 -4.212 1.00 12.34 C ATOM 276 CG LEU B 135 -4.253 2.661 -2.741 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.735 3.897 -1.998 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.774 2.614 -2.662 1.00 52.53 C ATOM 0 H LEU B 135 -5.051 0.515 -3.721 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.593 1.476 -5.947 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.968 3.344 -4.306 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.646 3.167 -4.779 1.00 12.34 H new ATOM 0 HG LEU B 135 -3.821 1.777 -2.271 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -4.040 3.848 -0.953 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.647 3.928 -2.057 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.149 4.796 -2.455 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -6.083 2.586 -1.617 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.191 3.500 -3.141 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -6.137 1.722 -3.172 1.00 52.53 H new ATOM 290 N LEU B 136 -1.963 0.040 -3.558 1.00 21.22 N ATOM 291 CA LEU B 136 -0.644 -0.420 -3.095 1.00 44.41 C ATOM 292 C LEU B 136 -0.019 -1.276 -4.138 1.00 40.11 C ATOM 293 O LEU B 136 1.186 -1.355 -4.271 1.00 61.31 O ATOM 294 CB LEU B 136 -0.807 -1.304 -1.889 1.00 1.14 C ATOM 295 CG LEU B 136 0.452 -1.618 -1.084 1.00 52.41 C ATOM 296 CD1 LEU B 136 1.025 -0.352 -0.462 1.00 41.23 C ATOM 297 CD2 LEU B 136 0.142 -2.650 -0.021 1.00 34.05 C ATOM 0 H LEU B 136 -2.747 -0.390 -3.067 1.00 21.22 H new ATOM 0 HA LEU B 136 -0.040 0.460 -2.873 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.528 -0.835 -1.220 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -1.243 -2.247 -2.217 1.00 1.14 H new ATOM 0 HG LEU B 136 1.205 -2.028 -1.757 1.00 52.41 H new ATOM 0 HD11 LEU B 136 1.921 -0.600 0.107 1.00 41.23 H new ATOM 0 HD12 LEU B 136 1.279 0.357 -1.250 1.00 41.23 H new ATOM 0 HD13 LEU B 136 0.285 0.094 0.203 1.00 41.23 H new ATOM 0 HD21 LEU B 136 1.045 -2.868 0.549 1.00 34.05 H new ATOM 0 HD22 LEU B 136 -0.625 -2.263 0.650 1.00 34.05 H new ATOM 0 HD23 LEU B 136 -0.218 -3.563 -0.495 1.00 34.05 H new ATOM 309 N SER B 137 -0.852 -1.907 -4.880 1.00 11.45 N ATOM 310 CA SER B 137 -0.411 -2.858 -5.802 1.00 2.00 C ATOM 311 C SER B 137 -0.266 -2.225 -7.201 1.00 23.45 C ATOM 312 O SER B 137 -0.272 -2.937 -8.220 1.00 1.12 O ATOM 313 CB SER B 137 -1.397 -4.043 -5.803 1.00 70.13 C ATOM 314 OG SER B 137 -1.034 -5.071 -6.707 1.00 44.15 O ATOM 0 H SER B 137 -1.862 -1.770 -4.857 1.00 11.45 H new ATOM 0 HA SER B 137 0.575 -3.227 -5.519 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.457 -4.458 -4.797 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.392 -3.679 -6.058 1.00 70.13 H new ATOM 0 HG SER B 137 -0.627 -4.675 -7.506 1.00 44.15 H new ATOM 320 N SER B 138 -0.113 -0.919 -7.250 1.00 30.13 N ATOM 321 CA SER B 138 -0.085 -0.216 -8.487 1.00 70.24 C ATOM 322 C SER B 138 1.261 -0.397 -9.224 1.00 64.22 C ATOM 323 O SER B 138 2.315 -0.592 -8.596 1.00 31.04 O ATOM 324 CB SER B 138 -0.339 1.249 -8.170 1.00 65.30 C ATOM 325 OG SER B 138 0.559 1.707 -7.209 1.00 2.10 O ATOM 0 H SER B 138 -0.006 -0.327 -6.426 1.00 30.13 H new ATOM 0 HA SER B 138 -0.849 -0.609 -9.158 1.00 70.24 H new ATOM 0 HB2 SER B 138 -0.243 1.845 -9.078 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.360 1.377 -7.811 1.00 65.30 H new ATOM 0 HG SER B 138 0.094 1.820 -6.354 1.00 2.10 H new ATOM 331 N PRO B 139 1.238 -0.377 -10.578 1.00 3.54 N ATOM 332 CA PRO B 139 2.471 -0.343 -11.389 1.00 24.41 C ATOM 333 C PRO B 139 3.034 1.083 -11.310 1.00 3.55 C ATOM 334 O PRO B 139 4.242 1.334 -11.337 1.00 33.11 O ATOM 335 CB PRO B 139 1.931 -0.519 -12.828 1.00 51.14 C ATOM 336 CG PRO B 139 0.586 0.087 -12.718 1.00 12.24 C ATOM 337 CD PRO B 139 0.032 -0.434 -11.443 1.00 64.24 C ATOM 0 HA PRO B 139 3.223 -1.072 -11.086 1.00 24.41 H new ATOM 0 HB2 PRO B 139 2.552 -0.008 -13.564 1.00 51.14 H new ATOM 0 HB3 PRO B 139 1.885 -1.567 -13.123 1.00 51.14 H new ATOM 0 HG2 PRO B 139 0.643 1.175 -12.708 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -0.042 -0.191 -13.564 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -0.781 0.184 -11.061 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.358 -1.447 -11.544 1.00 64.24 H new ATOM 345 N ASN B 140 2.086 1.985 -11.156 1.00 23.02 N ATOM 346 CA ASN B 140 2.208 3.333 -11.220 1.00 20.23 C ATOM 347 C ASN B 140 2.585 3.898 -9.906 1.00 43.12 C ATOM 348 O ASN B 140 1.745 4.271 -9.097 1.00 34.53 O ATOM 349 CB ASN B 140 0.918 3.942 -11.848 1.00 62.14 C ATOM 350 CG ASN B 140 -0.366 3.122 -11.723 1.00 24.03 C ATOM 351 OD1 ASN B 140 -0.581 2.403 -10.795 1.00 54.34 O ATOM 352 ND2 ASN B 140 -1.218 3.232 -12.714 1.00 42.30 N ATOM 0 H ASN B 140 1.124 1.705 -10.964 1.00 23.02 H new ATOM 0 HA ASN B 140 3.030 3.608 -11.881 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.745 4.916 -11.390 1.00 62.14 H new ATOM 0 HB3 ASN B 140 1.107 4.117 -12.907 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -2.086 2.697 -12.702 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -1.013 3.853 -13.497 1.00 42.30 H new ATOM 359 N GLU B 141 3.884 3.905 -9.704 1.00 73.15 N ATOM 360 CA GLU B 141 4.547 4.385 -8.510 1.00 45.35 C ATOM 361 C GLU B 141 4.097 5.775 -8.184 1.00 73.44 C ATOM 362 O GLU B 141 3.938 6.134 -7.033 1.00 64.43 O ATOM 363 CB GLU B 141 6.022 4.448 -8.772 1.00 72.42 C ATOM 364 CG GLU B 141 6.655 3.153 -9.181 1.00 31.50 C ATOM 365 CD GLU B 141 8.089 3.361 -9.509 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.382 3.873 -10.609 1.00 72.31 O ATOM 367 OE2 GLU B 141 8.941 3.042 -8.685 1.00 2.24 O1- ATOM 0 H GLU B 141 4.541 3.558 -10.403 1.00 73.15 H new ATOM 0 HA GLU B 141 4.310 3.712 -7.686 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.204 5.186 -9.554 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.519 4.808 -7.871 1.00 72.42 H new ATOM 0 HG2 GLU B 141 6.561 2.424 -8.376 1.00 31.50 H new ATOM 0 HG3 GLU B 141 6.133 2.742 -10.045 1.00 31.50 H new ATOM 374 N GLN B 142 3.920 6.556 -9.209 1.00 51.13 N ATOM 375 CA GLN B 142 3.499 7.907 -9.050 1.00 31.54 C ATOM 376 C GLN B 142 2.109 7.948 -8.444 1.00 51.24 C ATOM 377 O GLN B 142 1.955 8.387 -7.309 1.00 5.41 O ATOM 378 CB GLN B 142 3.530 8.622 -10.383 1.00 3.13 C ATOM 379 CG GLN B 142 4.902 8.705 -11.033 1.00 43.42 C ATOM 380 CD GLN B 142 5.883 9.519 -10.232 1.00 72.43 C ATOM 381 OE1 GLN B 142 5.989 10.717 -10.415 1.00 44.11 O ATOM 382 NE2 GLN B 142 6.630 8.881 -9.382 1.00 63.34 N ATOM 0 H GLN B 142 4.065 6.269 -10.177 1.00 51.13 H new ATOM 0 HA GLN B 142 4.183 8.419 -8.374 1.00 31.54 H new ATOM 0 HB2 GLN B 142 2.850 8.114 -11.067 1.00 3.13 H new ATOM 0 HB3 GLN B 142 3.147 9.633 -10.245 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.297 7.698 -11.166 1.00 43.42 H new ATOM 0 HG3 GLN B 142 4.802 9.142 -12.027 1.00 43.42 H new ATOM 0 HE21 GLN B 142 6.513 7.876 -9.254 1.00 63.34 H new ATOM 0 HE22 GLN B 142 7.333 9.385 -8.842 1.00 63.34 H new ATOM 391 N ILE B 143 1.120 7.356 -9.137 1.00 34.31 N ATOM 392 CA ILE B 143 -0.258 7.447 -8.655 1.00 21.53 C ATOM 393 C ILE B 143 -0.413 6.729 -7.314 1.00 1.45 C ATOM 394 O ILE B 143 -1.298 7.057 -6.529 1.00 53.35 O ATOM 395 CB ILE B 143 -1.292 6.954 -9.716 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.160 5.522 -9.985 1.00 73.10 C ATOM 397 CG2 ILE B 143 -1.046 7.628 -11.026 1.00 44.30 C ATOM 398 CD1 ILE B 143 -1.926 4.563 -9.154 1.00 51.44 C ATOM 0 H ILE B 143 1.246 6.829 -10.001 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.480 8.501 -8.491 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.276 7.181 -9.307 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.441 5.355 -11.025 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.104 5.266 -9.895 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.773 7.276 -11.758 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.146 8.707 -10.905 1.00 44.30 H new ATOM 0 HG23 ILE B 143 -0.040 7.393 -11.373 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.715 3.546 -9.484 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.635 4.673 -8.109 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -2.992 4.764 -9.257 1.00 51.44 H new ATOM 410 N LEU B 144 0.466 5.738 -7.081 1.00 55.31 N ATOM 411 CA LEU B 144 0.549 5.035 -5.803 1.00 51.23 C ATOM 412 C LEU B 144 0.620 6.036 -4.633 1.00 35.13 C ATOM 413 O LEU B 144 -0.241 6.028 -3.762 1.00 44.33 O ATOM 414 CB LEU B 144 1.822 4.180 -5.728 1.00 3.21 C ATOM 415 CG LEU B 144 2.064 3.473 -4.377 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.528 2.089 -4.327 1.00 13.41 C ATOM 417 CD2 LEU B 144 3.491 3.530 -3.947 1.00 24.12 C ATOM 0 H LEU B 144 1.135 5.408 -7.777 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.342 4.411 -5.730 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.779 3.424 -6.512 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.680 4.816 -5.945 1.00 3.21 H new ATOM 0 HG LEU B 144 1.487 4.045 -3.651 1.00 52.24 H new ATOM 0 HD11 LEU B 144 1.734 1.654 -3.349 1.00 13.41 H new ATOM 0 HD12 LEU B 144 0.451 2.110 -4.495 1.00 13.41 H new ATOM 0 HD13 LEU B 144 2.005 1.486 -5.100 1.00 13.41 H new ATOM 0 HD21 LEU B 144 3.604 3.018 -2.991 1.00 24.12 H new ATOM 0 HD22 LEU B 144 4.116 3.043 -4.696 1.00 24.12 H new ATOM 0 HD23 LEU B 144 3.797 4.571 -3.839 1.00 24.12 H new ATOM 429 N GLN B 145 1.605 6.964 -4.691 1.00 62.02 N ATOM 430 CA GLN B 145 1.935 7.854 -3.587 1.00 14.14 C ATOM 431 C GLN B 145 0.815 8.812 -3.405 1.00 53.32 C ATOM 432 O GLN B 145 0.376 9.105 -2.278 1.00 13.44 O ATOM 433 CB GLN B 145 3.168 8.649 -3.961 1.00 31.14 C ATOM 434 CG GLN B 145 4.328 7.814 -4.440 1.00 35.44 C ATOM 435 CD GLN B 145 5.385 8.643 -5.139 1.00 5.04 C ATOM 436 OE1 GLN B 145 6.354 9.087 -4.534 1.00 4.41 O ATOM 437 NE2 GLN B 145 5.158 8.938 -6.378 1.00 60.40 N ATOM 0 H GLN B 145 2.188 7.105 -5.516 1.00 62.02 H new ATOM 0 HA GLN B 145 2.106 7.278 -2.678 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.902 9.361 -4.742 1.00 31.14 H new ATOM 0 HB3 GLN B 145 3.487 9.229 -3.095 1.00 31.14 H new ATOM 0 HG2 GLN B 145 4.777 7.299 -3.591 1.00 35.44 H new ATOM 0 HG3 GLN B 145 3.963 7.046 -5.122 1.00 35.44 H new ATOM 0 HE21 GLN B 145 4.342 8.552 -6.853 1.00 60.40 H new ATOM 0 HE22 GLN B 145 5.795 9.557 -6.880 1.00 60.40 H new ATOM 446 N GLU B 146 0.347 9.265 -4.528 1.00 55.14 N ATOM 447 CA GLU B 146 -0.705 10.202 -4.627 1.00 32.43 C ATOM 448 C GLU B 146 -2.006 9.675 -4.050 1.00 61.02 C ATOM 449 O GLU B 146 -2.710 10.392 -3.338 1.00 62.21 O ATOM 450 CB GLU B 146 -0.850 10.653 -6.069 1.00 61.15 C ATOM 451 CG GLU B 146 0.131 11.742 -6.468 1.00 73.43 C ATOM 452 CD GLU B 146 1.615 11.398 -6.433 1.00 74.32 C ATOM 453 OE1 GLU B 146 2.224 11.491 -5.330 1.00 3.34 O ATOM 454 OE2 GLU B 146 2.202 11.159 -7.498 1.00 22.34 O1- ATOM 0 H GLU B 146 0.711 8.972 -5.435 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.452 11.070 -4.019 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -0.712 9.794 -6.725 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -1.866 11.015 -6.227 1.00 61.15 H new ATOM 0 HG2 GLU B 146 -0.116 12.063 -7.480 1.00 73.43 H new ATOM 0 HG3 GLU B 146 -0.032 12.598 -5.813 1.00 73.43 H new ATOM 461 N ALA B 147 -2.321 8.435 -4.317 1.00 15.44 N ATOM 462 CA ALA B 147 -3.522 7.857 -3.765 1.00 72.45 C ATOM 463 C ALA B 147 -3.323 7.518 -2.301 1.00 11.52 C ATOM 464 O ALA B 147 -4.215 7.741 -1.480 1.00 71.22 O ATOM 465 CB ALA B 147 -3.974 6.648 -4.555 1.00 4.23 C ATOM 0 H ALA B 147 -1.771 7.810 -4.906 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.316 8.600 -3.838 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -4.881 6.240 -4.109 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.176 6.941 -5.585 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.191 5.890 -4.541 1.00 4.23 H new ATOM 471 N LEU B 148 -2.130 7.030 -1.968 1.00 50.13 N ATOM 472 CA LEU B 148 -1.770 6.675 -0.599 1.00 10.21 C ATOM 473 C LEU B 148 -1.901 7.865 0.316 1.00 72.25 C ATOM 474 O LEU B 148 -2.182 7.716 1.480 1.00 11.01 O ATOM 475 CB LEU B 148 -0.333 6.187 -0.527 1.00 24.22 C ATOM 476 CG LEU B 148 -0.025 4.787 -1.039 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.475 4.611 -1.129 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.614 3.733 -0.112 1.00 53.12 C ATOM 0 H LEU B 148 -1.383 6.869 -2.644 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.450 5.884 -0.284 1.00 10.21 H new ATOM 0 HB2 LEU B 148 0.286 6.890 -1.085 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.015 6.239 0.514 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.473 4.663 -2.025 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.703 3.610 -1.495 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.888 5.351 -1.815 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.917 4.745 -0.142 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.382 2.740 -0.497 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.187 3.845 0.884 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -1.695 3.858 -0.059 1.00 53.12 H new ATOM 490 N TRP B 149 -1.665 9.037 -0.227 1.00 72.11 N ATOM 491 CA TRP B 149 -1.783 10.295 0.499 1.00 73.33 C ATOM 492 C TRP B 149 -3.138 10.366 1.183 1.00 33.51 C ATOM 493 O TRP B 149 -3.230 10.584 2.392 1.00 12.44 O ATOM 494 CB TRP B 149 -1.644 11.471 -0.478 1.00 5.20 C ATOM 495 CG TRP B 149 -1.481 12.822 0.184 1.00 21.45 C ATOM 496 CD1 TRP B 149 -0.307 13.463 0.442 1.00 14.14 C ATOM 497 CD2 TRP B 149 -2.526 13.695 0.668 1.00 64.10 C ATOM 498 NE1 TRP B 149 -0.550 14.664 1.062 1.00 44.31 N ATOM 499 CE2 TRP B 149 -1.898 14.830 1.213 1.00 41.22 C ATOM 500 CE3 TRP B 149 -3.925 13.624 0.697 1.00 50.34 C ATOM 501 CZ2 TRP B 149 -2.616 15.881 1.778 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -4.634 14.668 1.257 1.00 0.00 C ATOM 503 CH2 TRP B 149 -3.980 15.781 1.790 1.00 21.30 C ATOM 0 H TRP B 149 -1.381 9.152 -1.200 1.00 72.11 H new ATOM 0 HA TRP B 149 -0.994 10.350 1.249 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -0.784 11.291 -1.123 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -2.524 11.499 -1.120 1.00 5.20 H new ATOM 0 HD1 TRP B 149 0.673 13.082 0.195 1.00 14.14 H new ATOM 0 HE1 TRP B 149 0.164 15.328 1.363 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -4.440 12.767 0.288 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 -2.114 16.743 2.191 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -5.713 14.623 1.283 1.00 0.00 H new ATOM 0 HH2 TRP B 149 -4.564 16.580 2.221 1.00 21.30 H new ATOM 514 N ALA B 150 -4.170 10.132 0.409 1.00 4.41 N ATOM 515 CA ALA B 150 -5.514 10.197 0.900 1.00 55.10 C ATOM 516 C ALA B 150 -5.879 8.913 1.623 1.00 74.03 C ATOM 517 O ALA B 150 -6.333 8.936 2.764 1.00 33.30 O ATOM 518 CB ALA B 150 -6.472 10.449 -0.250 1.00 15.21 C ATOM 0 H ALA B 150 -4.095 9.891 -0.579 1.00 4.41 H new ATOM 0 HA ALA B 150 -5.590 11.021 1.609 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -7.492 10.497 0.130 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -6.220 11.393 -0.733 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -6.393 9.638 -0.974 1.00 15.21 H new ATOM 524 N LEU B 151 -5.607 7.805 0.976 1.00 70.43 N ATOM 525 CA LEU B 151 -5.981 6.473 1.447 1.00 60.43 C ATOM 526 C LEU B 151 -5.298 6.033 2.723 1.00 0.01 C ATOM 527 O LEU B 151 -5.774 5.150 3.387 1.00 1.42 O ATOM 528 CB LEU B 151 -5.764 5.438 0.367 1.00 30.21 C ATOM 529 CG LEU B 151 -6.867 5.255 -0.680 1.00 35.52 C ATOM 530 CD1 LEU B 151 -8.130 4.689 -0.043 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.184 6.538 -1.444 1.00 54.11 C ATOM 0 H LEU B 151 -5.108 7.793 0.086 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.041 6.553 1.688 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -4.843 5.690 -0.158 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.601 4.476 0.853 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.483 4.541 -1.409 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -8.899 4.568 -0.806 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -7.909 3.721 0.406 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.487 5.373 0.727 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -7.973 6.343 -2.171 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.516 7.305 -0.745 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.290 6.883 -1.963 1.00 54.11 H new ATOM 543 N SER B 152 -4.205 6.637 3.067 1.00 60.31 N ATOM 544 CA SER B 152 -3.505 6.285 4.283 1.00 74.51 C ATOM 545 C SER B 152 -4.398 6.560 5.536 1.00 11.20 C ATOM 546 O SER B 152 -4.220 5.936 6.600 1.00 33.33 O ATOM 547 CB SER B 152 -2.147 6.981 4.310 1.00 21.44 C ATOM 548 OG SER B 152 -1.347 6.569 5.410 1.00 22.11 O ATOM 0 H SER B 152 -3.768 7.383 2.526 1.00 60.31 H new ATOM 0 HA SER B 152 -3.303 5.214 4.309 1.00 74.51 H new ATOM 0 HB2 SER B 152 -1.617 6.772 3.381 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.296 8.060 4.357 1.00 21.44 H new ATOM 0 HG SER B 152 -0.488 7.040 5.384 1.00 22.11 H new ATOM 554 N ASN B 153 -5.403 7.448 5.340 1.00 64.24 N ATOM 555 CA ASN B 153 -6.464 7.804 6.325 1.00 44.31 C ATOM 556 C ASN B 153 -7.202 6.566 6.821 1.00 64.55 C ATOM 557 O ASN B 153 -7.772 6.556 7.912 1.00 64.23 O ATOM 558 CB ASN B 153 -7.460 8.725 5.634 1.00 63.41 C ATOM 559 CG ASN B 153 -8.641 9.158 6.497 1.00 23.31 C ATOM 560 OD1 ASN B 153 -9.696 8.509 6.491 1.00 40.43 O ATOM 561 ND2 ASN B 153 -8.497 10.248 7.212 1.00 50.30 N ATOM 0 H ASN B 153 -5.504 7.956 4.462 1.00 64.24 H new ATOM 0 HA ASN B 153 -6.000 8.289 7.184 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -6.933 9.616 5.293 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -7.843 8.221 4.746 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -9.268 10.586 7.787 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -7.614 10.757 7.193 1.00 50.30 H new ATOM 568 N ILE B 154 -7.174 5.529 5.999 1.00 75.13 N ATOM 569 CA ILE B 154 -7.741 4.190 6.309 1.00 55.41 C ATOM 570 C ILE B 154 -7.257 3.683 7.695 1.00 43.23 C ATOM 571 O ILE B 154 -7.969 2.959 8.392 1.00 31.12 O ATOM 572 CB ILE B 154 -7.354 3.167 5.167 1.00 3.11 C ATOM 573 CG1 ILE B 154 -8.150 3.449 3.871 1.00 50.30 C ATOM 574 CG2 ILE B 154 -7.482 1.704 5.568 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.655 3.333 4.008 1.00 21.43 C ATOM 0 H ILE B 154 -6.751 5.577 5.072 1.00 75.13 H new ATOM 0 HA ILE B 154 -8.827 4.274 6.353 1.00 55.41 H new ATOM 0 HB ILE B 154 -6.293 3.333 4.981 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -7.908 4.454 3.525 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -7.816 2.756 3.099 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -7.198 1.070 4.728 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -6.826 1.500 6.414 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -8.514 1.493 5.849 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.125 3.548 3.049 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.915 2.322 4.321 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -10.008 4.046 4.753 1.00 21.43 H new ATOM 587 N ALA B 155 -6.080 4.153 8.109 1.00 10.31 N ATOM 588 CA ALA B 155 -5.472 3.799 9.393 1.00 14.12 C ATOM 589 C ALA B 155 -6.329 4.220 10.588 1.00 64.41 C ATOM 590 O ALA B 155 -6.150 3.700 11.691 1.00 71.04 O ATOM 591 CB ALA B 155 -4.122 4.461 9.514 1.00 41.11 C ATOM 0 H ALA B 155 -5.515 4.798 7.556 1.00 10.31 H new ATOM 0 HA ALA B 155 -5.380 2.713 9.411 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -3.671 4.196 10.470 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -3.477 4.123 8.703 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -4.241 5.543 9.456 1.00 41.11 H new ATOM 597 N SER B 156 -7.237 5.152 10.369 1.00 4.52 N ATOM 598 CA SER B 156 -8.079 5.661 11.420 1.00 54.22 C ATOM 599 C SER B 156 -9.163 4.635 11.795 1.00 33.11 C ATOM 600 O SER B 156 -9.769 4.715 12.872 1.00 31.14 O ATOM 601 CB SER B 156 -8.702 6.993 10.978 1.00 51.15 C ATOM 602 OG SER B 156 -9.368 7.653 12.048 1.00 71.21 O ATOM 0 H SER B 156 -7.407 5.574 9.456 1.00 4.52 H new ATOM 0 HA SER B 156 -7.475 5.837 12.310 1.00 54.22 H new ATOM 0 HB2 SER B 156 -7.923 7.643 10.581 1.00 51.15 H new ATOM 0 HB3 SER B 156 -9.409 6.811 10.169 1.00 51.15 H new ATOM 0 HG SER B 156 -9.749 8.496 11.726 1.00 71.21 H new ATOM 608 N GLY B 157 -9.412 3.682 10.923 1.00 64.35 N ATOM 609 CA GLY B 157 -10.388 2.667 11.210 1.00 65.32 C ATOM 610 C GLY B 157 -9.716 1.463 11.792 1.00 30.23 C ATOM 611 O GLY B 157 -9.562 0.458 11.109 1.00 41.22 O ATOM 0 H GLY B 157 -8.953 3.593 10.017 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -11.131 3.052 11.908 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -10.919 2.393 10.298 1.00 65.32 H new ATOM 615 N GLY B 158 -9.342 1.572 13.073 1.00 4.51 N ATOM 616 CA GLY B 158 -8.552 0.556 13.786 1.00 1.13 C ATOM 617 C GLY B 158 -9.116 -0.856 13.765 1.00 32.24 C ATOM 618 O GLY B 158 -8.399 -1.819 14.049 1.00 23.13 O ATOM 0 H GLY B 158 -9.581 2.377 13.652 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -7.551 0.533 13.355 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -8.445 0.869 14.825 1.00 1.13 H new ATOM 622 N ASN B 159 -10.362 -1.005 13.457 1.00 23.14 N ATOM 623 CA ASN B 159 -10.916 -2.325 13.343 1.00 4.32 C ATOM 624 C ASN B 159 -11.260 -2.640 11.912 1.00 43.12 C ATOM 625 O ASN B 159 -10.488 -3.284 11.233 1.00 73.44 O ATOM 626 CB ASN B 159 -12.125 -2.551 14.262 1.00 41.53 C ATOM 627 CG ASN B 159 -11.771 -2.556 15.737 1.00 73.54 C ATOM 628 OD1 ASN B 159 -10.668 -2.934 16.127 1.00 53.51 O ATOM 629 ND2 ASN B 159 -12.694 -2.148 16.568 1.00 13.35 N ATOM 0 H ASN B 159 -11.015 -0.242 13.280 1.00 23.14 H new ATOM 0 HA ASN B 159 -10.142 -3.016 13.678 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -12.863 -1.771 14.076 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -12.594 -3.501 14.006 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -12.509 -2.137 17.571 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -13.600 -1.840 16.213 1.00 13.35 H new ATOM 636 N GLU B 160 -12.367 -2.078 11.439 1.00 61.13 N ATOM 637 CA GLU B 160 -12.957 -2.379 10.122 1.00 44.33 C ATOM 638 C GLU B 160 -11.958 -2.216 8.970 1.00 21.45 C ATOM 639 O GLU B 160 -11.709 -3.142 8.203 1.00 55.12 O ATOM 640 CB GLU B 160 -14.137 -1.443 9.873 1.00 21.44 C ATOM 641 CG GLU B 160 -15.210 -1.468 10.942 1.00 75.15 C ATOM 642 CD GLU B 160 -16.271 -0.432 10.685 1.00 34.45 C ATOM 643 OE1 GLU B 160 -16.122 0.717 11.131 1.00 51.14 O1- ATOM 644 OE2 GLU B 160 -17.271 -0.741 10.023 1.00 5.33 O ATOM 0 H GLU B 160 -12.897 -1.384 11.966 1.00 61.13 H new ATOM 0 HA GLU B 160 -13.272 -3.422 10.146 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -13.760 -0.424 9.781 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -14.592 -1.702 8.917 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -15.667 -2.457 10.977 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -14.757 -1.292 11.918 1.00 75.15 H new ATOM 651 N GLN B 161 -11.397 -1.045 8.875 1.00 55.22 N ATOM 652 CA GLN B 161 -10.501 -0.688 7.796 1.00 4.24 C ATOM 653 C GLN B 161 -9.124 -1.318 7.971 1.00 2.21 C ATOM 654 O GLN B 161 -8.501 -1.754 7.009 1.00 4.14 O ATOM 655 CB GLN B 161 -10.369 0.840 7.689 1.00 73.31 C ATOM 656 CG GLN B 161 -11.603 1.599 7.170 1.00 74.15 C ATOM 657 CD GLN B 161 -12.806 1.560 8.101 1.00 63.34 C ATOM 658 OE1 GLN B 161 -12.672 1.479 9.323 1.00 30.32 O ATOM 659 NE2 GLN B 161 -13.982 1.610 7.537 1.00 71.32 N ATOM 0 H GLN B 161 -11.547 -0.296 9.551 1.00 55.22 H new ATOM 0 HA GLN B 161 -10.933 -1.077 6.874 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -10.117 1.231 8.675 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -9.528 1.065 7.033 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -11.327 2.639 6.996 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -11.892 1.181 6.206 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -14.058 1.677 6.522 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -14.825 1.582 8.111 1.00 71.32 H new ATOM 668 N LYS B 162 -8.686 -1.389 9.195 1.00 0.01 N ATOM 669 CA LYS B 162 -7.364 -1.879 9.536 1.00 53.04 C ATOM 670 C LYS B 162 -7.251 -3.403 9.391 1.00 54.42 C ATOM 671 O LYS B 162 -6.184 -3.914 9.125 1.00 41.24 O ATOM 672 CB LYS B 162 -7.038 -1.427 10.953 1.00 52.24 C ATOM 673 CG LYS B 162 -5.656 -1.756 11.484 1.00 72.31 C ATOM 674 CD LYS B 162 -5.540 -1.222 12.898 1.00 53.42 C ATOM 675 CE LYS B 162 -4.219 -1.519 13.546 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.097 -0.871 12.850 1.00 22.01 N1+ ATOM 0 H LYS B 162 -9.240 -1.106 10.003 1.00 0.01 H new ATOM 0 HA LYS B 162 -6.639 -1.463 8.837 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -7.170 -0.346 11.002 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -7.773 -1.869 11.626 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -5.493 -2.834 11.472 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -4.891 -1.311 10.848 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -5.694 -0.143 12.884 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -6.338 -1.650 13.506 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -4.242 -1.184 14.583 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -4.059 -2.597 13.563 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -2.363 -0.612 13.540 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -2.697 -1.528 12.149 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -3.436 -0.014 12.368 1.00 22.01 H new ATOM 690 N GLN B 163 -8.344 -4.119 9.556 1.00 45.04 N ATOM 691 CA GLN B 163 -8.323 -5.586 9.433 1.00 54.43 C ATOM 692 C GLN B 163 -8.470 -5.995 7.964 1.00 43.34 C ATOM 693 O GLN B 163 -7.982 -7.050 7.538 1.00 51.54 O ATOM 694 CB GLN B 163 -9.460 -6.190 10.252 1.00 0.44 C ATOM 695 CG GLN B 163 -10.824 -5.869 9.687 1.00 12.45 C ATOM 696 CD GLN B 163 -11.980 -6.178 10.629 1.00 32.52 C ATOM 697 OE1 GLN B 163 -11.765 -6.068 11.921 1.00 71.21 O flip ATOM 698 NE2 GLN B 163 -13.078 -6.501 10.179 1.00 35.45 N flip ATOM 0 H GLN B 163 -9.259 -3.725 9.775 1.00 45.04 H new ATOM 0 HA GLN B 163 -7.370 -5.958 9.810 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -9.335 -7.272 10.295 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -9.400 -5.821 11.276 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -10.856 -4.811 9.425 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.963 -6.430 8.763 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -13.213 -6.578 9.171 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -13.853 -6.692 10.814 1.00 35.45 H new ATOM 707 N ALA B 164 -9.110 -5.116 7.207 1.00 52.32 N ATOM 708 CA ALA B 164 -9.430 -5.299 5.797 1.00 30.11 C ATOM 709 C ALA B 164 -8.213 -5.640 4.997 1.00 13.35 C ATOM 710 O ALA B 164 -8.197 -6.575 4.210 1.00 74.41 O ATOM 711 CB ALA B 164 -9.929 -3.992 5.282 1.00 12.31 C ATOM 0 H ALA B 164 -9.434 -4.220 7.572 1.00 52.32 H new ATOM 0 HA ALA B 164 -10.158 -6.106 5.706 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -10.180 -4.089 4.226 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.817 -3.696 5.840 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -9.155 -3.234 5.403 1.00 12.31 H new ATOM 717 N VAL B 165 -7.197 -4.879 5.254 1.00 3.02 N ATOM 718 CA VAL B 165 -5.949 -4.888 4.532 1.00 13.21 C ATOM 719 C VAL B 165 -5.301 -6.300 4.482 1.00 2.43 C ATOM 720 O VAL B 165 -4.776 -6.716 3.450 1.00 61.00 O ATOM 721 CB VAL B 165 -4.984 -3.850 5.182 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.700 -2.562 5.386 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.588 -4.278 6.512 1.00 41.10 C ATOM 0 H VAL B 165 -7.209 -4.196 6.012 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.148 -4.612 3.497 1.00 13.21 H new ATOM 0 HB VAL B 165 -4.123 -3.752 4.520 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -5.024 -1.838 5.840 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -6.046 -2.182 4.425 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -6.555 -2.721 6.042 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.915 -3.539 6.947 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -5.473 -4.377 7.141 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -4.079 -5.240 6.448 1.00 41.10 H new ATOM 733 N LYS B 166 -5.424 -7.056 5.565 1.00 72.33 N ATOM 734 CA LYS B 166 -4.788 -8.356 5.654 1.00 62.53 C ATOM 735 C LYS B 166 -5.541 -9.354 4.781 1.00 61.12 C ATOM 736 O LYS B 166 -4.944 -10.198 4.099 1.00 13.14 O ATOM 737 CB LYS B 166 -4.754 -8.887 7.109 1.00 64.02 C ATOM 738 CG LYS B 166 -4.077 -8.002 8.169 1.00 21.20 C ATOM 739 CD LYS B 166 -4.971 -6.869 8.662 1.00 51.32 C ATOM 740 CE LYS B 166 -4.468 -6.290 9.976 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.488 -7.280 11.071 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.959 -6.788 6.391 1.00 72.33 H new ATOM 0 HA LYS B 166 -3.760 -8.242 5.309 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -5.781 -9.067 7.426 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.249 -9.853 7.104 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -3.784 -8.621 9.017 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.163 -7.580 7.751 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -5.011 -6.082 7.909 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -5.988 -7.238 8.792 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -3.451 -5.921 9.842 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -5.084 -5.434 10.252 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -4.522 -6.786 11.985 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -5.327 -7.888 10.974 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.630 -7.865 11.026 1.00 65.44 H new ATOM 755 N GLU B 167 -6.848 -9.203 4.763 1.00 75.44 N ATOM 756 CA GLU B 167 -7.719 -10.047 4.083 1.00 33.13 C ATOM 757 C GLU B 167 -7.737 -9.708 2.586 1.00 4.33 C ATOM 758 O GLU B 167 -7.845 -10.597 1.740 1.00 61.22 O ATOM 759 CB GLU B 167 -9.063 -9.852 4.726 1.00 35.41 C ATOM 760 CG GLU B 167 -10.135 -10.589 4.077 1.00 14.32 C ATOM 761 CD GLU B 167 -11.440 -10.421 4.781 1.00 71.10 C ATOM 762 OE1 GLU B 167 -11.674 -11.111 5.785 1.00 51.30 O1- ATOM 763 OE2 GLU B 167 -12.256 -9.573 4.356 1.00 34.35 O ATOM 0 H GLU B 167 -7.322 -8.445 5.254 1.00 75.44 H new ATOM 0 HA GLU B 167 -7.414 -11.091 4.147 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.004 -10.159 5.770 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.308 -8.790 4.719 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -10.234 -10.250 3.046 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -9.877 -11.647 4.042 1.00 14.32 H new ATOM 770 N ALA B 168 -7.595 -8.426 2.280 1.00 51.34 N ATOM 771 CA ALA B 168 -7.548 -7.947 0.901 1.00 12.43 C ATOM 772 C ALA B 168 -6.260 -8.408 0.214 1.00 34.44 C ATOM 773 O ALA B 168 -6.162 -8.431 -1.020 1.00 25.22 O ATOM 774 CB ALA B 168 -7.661 -6.435 0.870 1.00 40.11 C ATOM 0 H ALA B 168 -7.509 -7.687 2.978 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.392 -8.370 0.356 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.625 -6.089 -0.163 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.605 -6.131 1.322 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -6.834 -5.997 1.429 1.00 40.11 H new ATOM 780 N GLY B 169 -5.277 -8.736 1.020 1.00 34.33 N ATOM 781 CA GLY B 169 -4.057 -9.290 0.515 1.00 34.02 C ATOM 782 C GLY B 169 -2.955 -8.277 0.431 1.00 4.54 C ATOM 783 O GLY B 169 -2.141 -8.334 -0.474 1.00 31.44 O ATOM 0 H GLY B 169 -5.306 -8.625 2.034 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -3.742 -10.112 1.158 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -4.235 -9.710 -0.475 1.00 34.02 H new ATOM 787 N ALA B 170 -2.891 -7.368 1.398 1.00 35.41 N ATOM 788 CA ALA B 170 -1.906 -6.278 1.387 1.00 34.41 C ATOM 789 C ALA B 170 -0.478 -6.778 1.320 1.00 73.04 C ATOM 790 O ALA B 170 0.382 -6.120 0.743 1.00 1.24 O ATOM 791 CB ALA B 170 -2.101 -5.350 2.569 1.00 13.24 C ATOM 0 H ALA B 170 -3.512 -7.360 2.207 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.083 -5.712 0.472 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.357 -4.554 2.533 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.100 -4.916 2.530 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -1.986 -5.912 3.496 1.00 13.24 H new ATOM 797 N LEU B 171 -0.244 -7.957 1.855 1.00 61.22 N ATOM 798 CA LEU B 171 1.071 -8.547 1.841 1.00 71.22 C ATOM 799 C LEU B 171 1.501 -8.885 0.408 1.00 54.15 C ATOM 800 O LEU B 171 2.632 -8.607 0.011 1.00 23.24 O ATOM 801 CB LEU B 171 1.106 -9.785 2.730 1.00 35.44 C ATOM 802 CG LEU B 171 0.745 -9.554 4.202 1.00 71.12 C ATOM 803 CD1 LEU B 171 0.787 -10.849 4.966 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.671 -8.539 4.843 1.00 11.20 C ATOM 0 H LEU B 171 -0.957 -8.528 2.309 1.00 61.22 H new ATOM 0 HA LEU B 171 1.780 -7.821 2.239 1.00 71.22 H new ATOM 0 HB2 LEU B 171 0.420 -10.525 2.318 1.00 35.44 H new ATOM 0 HB3 LEU B 171 2.106 -10.216 2.683 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.270 -9.157 4.236 1.00 71.12 H new ATOM 0 HD11 LEU B 171 0.528 -10.665 6.009 1.00 70.51 H new ATOM 0 HD12 LEU B 171 0.073 -11.550 4.533 1.00 70.51 H new ATOM 0 HD13 LEU B 171 1.790 -11.272 4.911 1.00 70.51 H new ATOM 0 HD21 LEU B 171 1.389 -8.397 5.886 1.00 11.20 H new ATOM 0 HD22 LEU B 171 2.698 -8.900 4.790 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.592 -7.589 4.314 1.00 11.20 H new ATOM 816 N GLU B 172 0.571 -9.414 -0.387 1.00 61.41 N ATOM 817 CA GLU B 172 0.884 -9.803 -1.759 1.00 12.34 C ATOM 818 C GLU B 172 0.787 -8.608 -2.705 1.00 12.03 C ATOM 819 O GLU B 172 1.415 -8.581 -3.762 1.00 11.21 O ATOM 820 CB GLU B 172 -0.005 -10.954 -2.236 1.00 22.42 C ATOM 821 CG GLU B 172 -1.474 -10.619 -2.392 1.00 4.33 C ATOM 822 CD GLU B 172 -2.299 -11.821 -2.727 1.00 14.33 C ATOM 823 OE1 GLU B 172 -2.275 -12.272 -3.893 1.00 61.51 O ATOM 824 OE2 GLU B 172 -2.985 -12.346 -1.832 1.00 71.05 O1- ATOM 0 H GLU B 172 -0.395 -9.581 -0.107 1.00 61.41 H new ATOM 0 HA GLU B 172 1.914 -10.159 -1.769 1.00 12.34 H new ATOM 0 HB2 GLU B 172 0.373 -11.309 -3.195 1.00 22.42 H new ATOM 0 HB3 GLU B 172 0.089 -11.780 -1.531 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -1.843 -10.174 -1.468 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -1.592 -9.870 -3.175 1.00 4.33 H new ATOM 831 N LYS B 173 -0.002 -7.625 -2.312 1.00 75.52 N ATOM 832 CA LYS B 173 -0.155 -6.396 -3.050 1.00 52.14 C ATOM 833 C LYS B 173 1.149 -5.613 -2.990 1.00 13.42 C ATOM 834 O LYS B 173 1.568 -4.992 -3.961 1.00 22.05 O ATOM 835 CB LYS B 173 -1.287 -5.588 -2.416 1.00 52.11 C ATOM 836 CG LYS B 173 -2.664 -6.232 -2.534 1.00 23.24 C ATOM 837 CD LYS B 173 -3.242 -6.137 -3.926 1.00 32.34 C ATOM 838 CE LYS B 173 -4.485 -6.984 -4.062 1.00 65.44 C ATOM 839 NZ LYS B 173 -5.061 -6.935 -5.421 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.560 -7.664 -1.459 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.395 -6.602 -4.093 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.060 -5.434 -1.361 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -1.319 -4.603 -2.882 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.594 -7.281 -2.246 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -3.345 -5.753 -1.830 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.481 -5.098 -4.153 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -2.498 -6.460 -4.654 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -4.245 -8.017 -3.810 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -5.231 -6.646 -3.343 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -5.540 -7.835 -5.628 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -5.748 -6.156 -5.479 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.302 -6.779 -6.114 1.00 43.00 H new ATOM 853 N LEU B 174 1.799 -5.707 -1.852 1.00 32.33 N ATOM 854 CA LEU B 174 3.047 -5.021 -1.590 1.00 44.15 C ATOM 855 C LEU B 174 4.164 -5.609 -2.480 1.00 4.04 C ATOM 856 O LEU B 174 5.016 -4.876 -2.979 1.00 43.44 O ATOM 857 CB LEU B 174 3.365 -5.160 -0.078 1.00 22.15 C ATOM 858 CG LEU B 174 4.422 -4.231 0.556 1.00 32.13 C ATOM 859 CD1 LEU B 174 4.347 -4.342 2.060 1.00 13.11 C ATOM 860 CD2 LEU B 174 5.830 -4.575 0.116 1.00 43.15 C ATOM 0 H LEU B 174 1.471 -6.272 -1.068 1.00 32.33 H new ATOM 0 HA LEU B 174 2.973 -3.961 -1.834 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.433 -5.017 0.468 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.683 -6.188 0.098 1.00 22.15 H new ATOM 0 HG LEU B 174 4.203 -3.216 0.224 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.092 -3.687 2.511 1.00 13.11 H new ATOM 0 HD12 LEU B 174 3.353 -4.047 2.397 1.00 13.11 H new ATOM 0 HD13 LEU B 174 4.541 -5.372 2.359 1.00 13.11 H new ATOM 0 HD21 LEU B 174 6.536 -3.893 0.590 1.00 43.15 H new ATOM 0 HD22 LEU B 174 6.063 -5.599 0.409 1.00 43.15 H new ATOM 0 HD23 LEU B 174 5.906 -4.481 -0.967 1.00 43.15 H new ATOM 872 N GLU B 175 4.110 -6.924 -2.727 1.00 64.22 N ATOM 873 CA GLU B 175 5.085 -7.620 -3.497 1.00 34.22 C ATOM 874 C GLU B 175 5.148 -7.123 -4.939 1.00 30.54 C ATOM 875 O GLU B 175 6.190 -7.185 -5.580 1.00 40.22 O ATOM 876 CB GLU B 175 4.730 -9.075 -3.494 1.00 31.20 C ATOM 877 CG GLU B 175 4.723 -9.722 -2.136 1.00 63.55 C ATOM 878 CD GLU B 175 4.481 -11.200 -2.222 1.00 72.13 C ATOM 879 OE1 GLU B 175 3.319 -11.628 -2.401 1.00 12.05 O1- ATOM 880 OE2 GLU B 175 5.450 -11.966 -2.113 1.00 5.21 O ATOM 0 H GLU B 175 3.362 -7.524 -2.379 1.00 64.22 H new ATOM 0 HA GLU B 175 6.064 -7.445 -3.050 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.744 -9.194 -3.942 1.00 31.20 H new ATOM 0 HB3 GLU B 175 5.436 -9.608 -4.131 1.00 31.20 H new ATOM 0 HG2 GLU B 175 5.677 -9.538 -1.641 1.00 63.55 H new ATOM 0 HG3 GLU B 175 3.951 -9.263 -1.519 1.00 63.55 H new ATOM 887 N GLN B 176 4.040 -6.625 -5.428 1.00 53.05 N ATOM 888 CA GLN B 176 3.940 -6.144 -6.791 1.00 51.12 C ATOM 889 C GLN B 176 4.696 -4.839 -6.901 1.00 15.23 C ATOM 890 O GLN B 176 5.454 -4.590 -7.845 1.00 25.45 O ATOM 891 CB GLN B 176 2.479 -5.900 -7.114 1.00 22.05 C ATOM 892 CG GLN B 176 1.567 -7.031 -6.679 1.00 3.54 C ATOM 893 CD GLN B 176 1.897 -8.358 -7.320 1.00 35.11 C ATOM 894 OE1 GLN B 176 2.358 -8.419 -8.462 1.00 25.33 O ATOM 895 NE2 GLN B 176 1.720 -9.413 -6.582 1.00 12.14 N ATOM 0 H GLN B 176 3.176 -6.540 -4.893 1.00 53.05 H new ATOM 0 HA GLN B 176 4.357 -6.875 -7.483 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.157 -4.978 -6.630 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.373 -5.751 -8.188 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.625 -7.136 -5.596 1.00 3.54 H new ATOM 0 HG3 GLN B 176 0.537 -6.768 -6.919 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.336 -9.319 -5.642 1.00 12.14 H new ATOM 0 HE22 GLN B 176 1.965 -10.335 -6.943 1.00 12.14 H new ATOM 904 N LEU B 177 4.513 -4.040 -5.885 1.00 55.23 N ATOM 905 CA LEU B 177 5.111 -2.722 -5.771 1.00 50.03 C ATOM 906 C LEU B 177 6.592 -2.808 -5.490 1.00 2.24 C ATOM 907 O LEU B 177 7.322 -1.843 -5.654 1.00 11.31 O ATOM 908 CB LEU B 177 4.423 -1.979 -4.660 1.00 4.33 C ATOM 909 CG LEU B 177 4.785 -0.527 -4.501 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.334 0.262 -5.726 1.00 11.02 C ATOM 911 CD2 LEU B 177 4.192 0.022 -3.219 1.00 54.44 C ATOM 0 H LEU B 177 3.928 -4.288 -5.087 1.00 55.23 H new ATOM 0 HA LEU B 177 4.987 -2.196 -6.718 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.347 -2.047 -4.819 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.640 -2.490 -3.722 1.00 4.33 H new ATOM 0 HG LEU B 177 5.868 -0.427 -4.428 1.00 13.40 H new ATOM 0 HD11 LEU B 177 4.601 1.312 -5.601 1.00 11.02 H new ATOM 0 HD12 LEU B 177 4.825 -0.134 -6.615 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.253 0.173 -5.839 1.00 11.02 H new ATOM 0 HD21 LEU B 177 4.461 1.073 -3.115 1.00 54.44 H new ATOM 0 HD22 LEU B 177 3.107 -0.074 -3.250 1.00 54.44 H new ATOM 0 HD23 LEU B 177 4.582 -0.538 -2.369 1.00 54.44 H new ATOM 923 N GLN B 178 7.028 -3.945 -5.047 1.00 31.43 N ATOM 924 CA GLN B 178 8.455 -4.176 -4.799 1.00 34.22 C ATOM 925 C GLN B 178 9.314 -4.019 -6.057 1.00 43.53 C ATOM 926 O GLN B 178 10.486 -3.681 -5.966 1.00 33.40 O ATOM 927 CB GLN B 178 8.722 -5.522 -4.137 1.00 22.20 C ATOM 928 CG GLN B 178 8.290 -5.607 -2.683 1.00 63.12 C ATOM 929 CD GLN B 178 9.045 -4.642 -1.759 1.00 52.34 C ATOM 930 OE1 GLN B 178 9.468 -3.547 -2.156 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.228 -5.048 -0.533 1.00 12.22 N ATOM 0 H GLN B 178 6.429 -4.745 -4.842 1.00 31.43 H new ATOM 0 HA GLN B 178 8.752 -3.393 -4.101 1.00 34.22 H new ATOM 0 HB2 GLN B 178 8.206 -6.299 -4.702 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.789 -5.738 -4.199 1.00 22.20 H new ATOM 0 HG2 GLN B 178 7.222 -5.398 -2.617 1.00 63.12 H new ATOM 0 HG3 GLN B 178 8.438 -6.627 -2.328 1.00 63.12 H new ATOM 0 HE21 GLN B 178 8.867 -5.955 -0.237 1.00 12.22 H new ATOM 0 HE22 GLN B 178 9.732 -4.458 0.130 1.00 12.22 H new ATOM 940 N SER B 179 8.717 -4.198 -7.219 1.00 11.02 N ATOM 941 CA SER B 179 9.424 -4.083 -8.496 1.00 25.41 C ATOM 942 C SER B 179 9.562 -2.598 -8.948 1.00 10.24 C ATOM 943 O SER B 179 9.865 -2.299 -10.107 1.00 40.01 O ATOM 944 CB SER B 179 8.666 -4.898 -9.524 1.00 32.12 C ATOM 945 OG SER B 179 8.453 -6.216 -9.027 1.00 64.32 O ATOM 0 H SER B 179 7.728 -4.428 -7.313 1.00 11.02 H new ATOM 0 HA SER B 179 10.439 -4.465 -8.387 1.00 25.41 H new ATOM 0 HB2 SER B 179 7.710 -4.423 -9.746 1.00 32.12 H new ATOM 0 HB3 SER B 179 9.227 -4.937 -10.458 1.00 32.12 H new ATOM 0 HG SER B 179 7.961 -6.741 -9.692 1.00 64.32 H new ATOM 951 N HIS B 180 9.353 -1.706 -8.004 1.00 24.01 N ATOM 952 CA HIS B 180 9.463 -0.253 -8.182 1.00 14.12 C ATOM 953 C HIS B 180 10.880 0.188 -8.585 1.00 13.51 C ATOM 954 O HIS B 180 11.840 -0.576 -8.490 1.00 60.24 O ATOM 955 CB HIS B 180 9.077 0.456 -6.858 1.00 1.42 C ATOM 956 CG HIS B 180 9.951 0.106 -5.670 1.00 74.51 C ATOM 957 ND1 HIS B 180 9.530 -0.713 -4.660 1.00 63.40 N ATOM 958 CD2 HIS B 180 11.217 0.468 -5.347 1.00 44.44 C ATOM 959 CE1 HIS B 180 10.478 -0.848 -3.776 1.00 71.54 C ATOM 960 NE2 HIS B 180 11.520 -0.142 -4.168 1.00 34.33 N ATOM 0 H HIS B 180 9.092 -1.970 -7.054 1.00 24.01 H new ATOM 0 HA HIS B 180 8.786 0.025 -8.990 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.116 1.534 -7.015 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.044 0.207 -6.617 1.00 1.42 H new ATOM 0 HD1 HIS B 180 8.611 -1.153 -4.606 1.00 63.40 H new ATOM 0 HD2 HIS B 180 11.864 1.118 -5.918 1.00 44.44 H new ATOM 0 HE1 HIS B 180 10.420 -1.439 -2.874 1.00 71.54 H new ATOM 969 N GLU B 181 10.987 1.426 -8.959 1.00 2.23 N ATOM 970 CA GLU B 181 12.240 2.064 -9.294 1.00 3.54 C ATOM 971 C GLU B 181 12.495 3.176 -8.285 1.00 21.45 C ATOM 972 O GLU B 181 13.600 3.348 -7.781 1.00 41.00 O ATOM 973 CB GLU B 181 12.156 2.679 -10.695 1.00 22.41 C ATOM 974 CG GLU B 181 11.958 1.680 -11.817 1.00 21.45 C ATOM 975 CD GLU B 181 11.737 2.350 -13.151 1.00 4.11 C ATOM 976 OE1 GLU B 181 12.676 2.959 -13.709 1.00 34.25 O1- ATOM 977 OE2 GLU B 181 10.616 2.293 -13.676 1.00 21.44 O ATOM 0 H GLU B 181 10.183 2.047 -9.045 1.00 2.23 H new ATOM 0 HA GLU B 181 13.044 1.328 -9.273 1.00 3.54 H new ATOM 0 HB2 GLU B 181 11.333 3.393 -10.714 1.00 22.41 H new ATOM 0 HB3 GLU B 181 13.070 3.241 -10.885 1.00 22.41 H new ATOM 0 HG2 GLU B 181 12.831 1.030 -11.880 1.00 21.45 H new ATOM 0 HG3 GLU B 181 11.103 1.044 -11.587 1.00 21.45 H new ATOM 984 N ASN B 182 11.432 3.883 -7.964 1.00 1.10 N ATOM 985 CA ASN B 182 11.455 5.060 -7.096 1.00 51.53 C ATOM 986 C ASN B 182 11.798 4.693 -5.699 1.00 31.02 C ATOM 987 O ASN B 182 11.289 3.725 -5.109 1.00 72.11 O ATOM 988 CB ASN B 182 10.105 5.743 -7.170 1.00 70.24 C ATOM 989 CG ASN B 182 9.992 7.153 -6.571 1.00 71.13 C ATOM 990 OD1 ASN B 182 10.692 7.532 -5.629 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.094 7.931 -7.119 1.00 41.44 N ATOM 0 H ASN B 182 10.498 3.655 -8.305 1.00 1.10 H new ATOM 0 HA ASN B 182 12.228 5.748 -7.438 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.813 5.798 -8.219 1.00 70.24 H new ATOM 0 HB3 ASN B 182 9.377 5.105 -6.669 1.00 70.24 H new ATOM 0 HD21 ASN B 182 8.958 8.879 -6.768 1.00 41.44 H new ATOM 0 HD22 ASN B 182 8.530 7.589 -7.897 1.00 41.44 H new ATOM 998 N GLU B 183 12.617 5.523 -5.186 1.00 21.41 N ATOM 999 CA GLU B 183 13.227 5.406 -3.940 1.00 75.53 C ATOM 1000 C GLU B 183 12.217 5.657 -2.800 1.00 53.13 C ATOM 1001 O GLU B 183 12.330 5.078 -1.728 1.00 62.23 O ATOM 1002 CB GLU B 183 14.349 6.420 -3.949 1.00 4.41 C ATOM 1003 CG GLU B 183 13.927 7.864 -3.679 1.00 71.12 C ATOM 1004 CD GLU B 183 15.021 8.856 -3.970 1.00 70.35 C ATOM 1005 OE1 GLU B 183 15.882 9.081 -3.106 1.00 10.34 O1- ATOM 1006 OE2 GLU B 183 15.041 9.439 -5.066 1.00 74.32 O ATOM 0 H GLU B 183 12.897 6.373 -5.676 1.00 21.41 H new ATOM 0 HA GLU B 183 13.611 4.401 -3.762 1.00 75.53 H new ATOM 0 HB2 GLU B 183 15.086 6.128 -3.201 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.846 6.379 -4.918 1.00 4.41 H new ATOM 0 HG2 GLU B 183 13.055 8.103 -4.288 1.00 71.12 H new ATOM 0 HG3 GLU B 183 13.624 7.960 -2.636 1.00 71.12 H new ATOM 1013 N LYS B 184 11.208 6.490 -3.072 1.00 31.52 N ATOM 1014 CA LYS B 184 10.194 6.821 -2.079 1.00 55.01 C ATOM 1015 C LYS B 184 9.253 5.665 -1.902 1.00 72.22 C ATOM 1016 O LYS B 184 8.734 5.417 -0.820 1.00 13.24 O ATOM 1017 CB LYS B 184 9.352 8.001 -2.517 1.00 13.15 C ATOM 1018 CG LYS B 184 10.048 9.342 -2.602 1.00 23.11 C ATOM 1019 CD LYS B 184 9.078 10.390 -3.139 1.00 51.20 C ATOM 1020 CE LYS B 184 7.849 10.578 -2.228 1.00 41.21 C ATOM 1021 NZ LYS B 184 6.771 11.340 -2.895 1.00 13.42 N1+ ATOM 0 H LYS B 184 11.076 6.946 -3.975 1.00 31.52 H new ATOM 0 HA LYS B 184 10.722 7.057 -1.155 1.00 55.01 H new ATOM 0 HB2 LYS B 184 8.932 7.774 -3.497 1.00 13.15 H new ATOM 0 HB3 LYS B 184 8.515 8.096 -1.826 1.00 13.15 H new ATOM 0 HG2 LYS B 184 10.410 9.638 -1.617 1.00 23.11 H new ATOM 0 HG3 LYS B 184 10.919 9.270 -3.254 1.00 23.11 H new ATOM 0 HD2 LYS B 184 9.598 11.342 -3.243 1.00 51.20 H new ATOM 0 HD3 LYS B 184 8.746 10.097 -4.135 1.00 51.20 H new ATOM 0 HE2 LYS B 184 7.469 9.602 -1.927 1.00 41.21 H new ATOM 0 HE3 LYS B 184 8.149 11.097 -1.318 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 6.048 11.603 -2.195 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 7.168 12.201 -3.323 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 6.338 10.753 -3.636 1.00 13.42 H new ATOM 1035 N ILE B 185 9.059 4.948 -2.990 1.00 60.21 N ATOM 1036 CA ILE B 185 8.112 3.861 -3.062 1.00 75.21 C ATOM 1037 C ILE B 185 8.466 2.756 -2.050 1.00 0.43 C ATOM 1038 O ILE B 185 7.602 2.049 -1.558 1.00 60.43 O ATOM 1039 CB ILE B 185 8.045 3.320 -4.499 1.00 72.20 C ATOM 1040 CG1 ILE B 185 7.609 4.449 -5.427 1.00 53.13 C ATOM 1041 CG2 ILE B 185 7.098 2.140 -4.605 1.00 64.03 C ATOM 1042 CD1 ILE B 185 6.260 5.025 -5.160 1.00 52.31 C ATOM 0 H ILE B 185 9.564 5.109 -3.861 1.00 60.21 H new ATOM 0 HA ILE B 185 7.123 4.233 -2.795 1.00 75.21 H new ATOM 0 HB ILE B 185 9.032 2.962 -4.791 1.00 72.20 H new ATOM 0 HG12 ILE B 185 8.345 5.251 -5.363 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.629 4.079 -6.452 1.00 53.13 H new ATOM 0 HG21 ILE B 185 7.075 1.783 -5.635 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.441 1.339 -3.951 1.00 64.03 H new ATOM 0 HG23 ILE B 185 6.096 2.449 -4.306 1.00 64.03 H new ATOM 0 HD11 ILE B 185 6.054 5.818 -5.878 1.00 52.31 H new ATOM 0 HD12 ILE B 185 5.506 4.244 -5.256 1.00 52.31 H new ATOM 0 HD13 ILE B 185 6.232 5.434 -4.150 1.00 52.31 H new ATOM 1054 N GLN B 186 9.756 2.644 -1.745 1.00 51.04 N ATOM 1055 CA GLN B 186 10.254 1.773 -0.669 1.00 13.34 C ATOM 1056 C GLN B 186 9.505 2.045 0.646 1.00 43.21 C ATOM 1057 O GLN B 186 9.042 1.121 1.320 1.00 14.42 O ATOM 1058 CB GLN B 186 11.739 2.043 -0.449 1.00 3.31 C ATOM 1059 CG GLN B 186 12.687 1.208 -1.277 1.00 30.13 C ATOM 1060 CD GLN B 186 12.749 -0.221 -0.779 1.00 33.34 C ATOM 1061 OE1 GLN B 186 11.996 -1.074 -1.212 1.00 41.14 O ATOM 1062 NE2 GLN B 186 13.635 -0.482 0.136 1.00 12.44 N ATOM 0 H GLN B 186 10.492 3.153 -2.234 1.00 51.04 H new ATOM 0 HA GLN B 186 10.092 0.736 -0.963 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.933 3.095 -0.659 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.967 1.881 0.605 1.00 3.31 H new ATOM 0 HG2 GLN B 186 12.367 1.218 -2.319 1.00 30.13 H new ATOM 0 HG3 GLN B 186 13.683 1.649 -1.246 1.00 30.13 H new ATOM 0 HE21 GLN B 186 14.250 0.257 0.476 1.00 12.44 H new ATOM 0 HE22 GLN B 186 13.715 -1.426 0.514 1.00 12.44 H new ATOM 1071 N LYS B 187 9.369 3.312 0.984 1.00 22.52 N ATOM 1072 CA LYS B 187 8.709 3.725 2.204 1.00 74.33 C ATOM 1073 C LYS B 187 7.207 3.541 2.075 1.00 72.42 C ATOM 1074 O LYS B 187 6.537 3.096 3.011 1.00 44.24 O ATOM 1075 CB LYS B 187 9.036 5.178 2.498 1.00 51.52 C ATOM 1076 CG LYS B 187 8.477 5.685 3.819 1.00 61.53 C ATOM 1077 CD LYS B 187 8.802 7.144 4.009 1.00 22.21 C ATOM 1078 CE LYS B 187 10.287 7.408 4.198 1.00 31.44 C ATOM 1079 NZ LYS B 187 10.810 6.827 5.452 1.00 31.33 N1+ ATOM 0 H LYS B 187 9.715 4.086 0.417 1.00 22.52 H new ATOM 0 HA LYS B 187 9.065 3.107 3.028 1.00 74.33 H new ATOM 0 HB2 LYS B 187 10.119 5.302 2.502 1.00 51.52 H new ATOM 0 HB3 LYS B 187 8.648 5.798 1.690 1.00 51.52 H new ATOM 0 HG2 LYS B 187 7.397 5.542 3.841 1.00 61.53 H new ATOM 0 HG3 LYS B 187 8.893 5.104 4.642 1.00 61.53 H new ATOM 0 HD2 LYS B 187 8.447 7.704 3.144 1.00 22.21 H new ATOM 0 HD3 LYS B 187 8.260 7.520 4.876 1.00 22.21 H new ATOM 0 HE2 LYS B 187 10.837 6.994 3.353 1.00 31.44 H new ATOM 0 HE3 LYS B 187 10.464 8.483 4.198 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 11.782 7.161 5.610 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 10.209 7.121 6.248 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 10.807 5.789 5.381 1.00 31.33 H new ATOM 1093 N GLU B 188 6.696 3.843 0.902 1.00 1.40 N ATOM 1094 CA GLU B 188 5.274 3.736 0.621 1.00 41.11 C ATOM 1095 C GLU B 188 4.798 2.263 0.607 1.00 55.30 C ATOM 1096 O GLU B 188 3.637 1.979 0.850 1.00 1.32 O ATOM 1097 CB GLU B 188 4.937 4.437 -0.689 1.00 0.21 C ATOM 1098 CG GLU B 188 5.304 5.924 -0.728 1.00 71.14 C ATOM 1099 CD GLU B 188 4.688 6.735 0.404 1.00 11.41 C ATOM 1100 OE1 GLU B 188 3.466 6.984 0.393 1.00 31.44 O ATOM 1101 OE2 GLU B 188 5.428 7.188 1.305 1.00 62.41 O1- ATOM 0 H GLU B 188 7.252 4.171 0.112 1.00 1.40 H new ATOM 0 HA GLU B 188 4.737 4.235 1.428 1.00 41.11 H new ATOM 0 HB2 GLU B 188 5.453 3.927 -1.502 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.868 4.335 -0.876 1.00 0.21 H new ATOM 0 HG2 GLU B 188 6.389 6.023 -0.686 1.00 71.14 H new ATOM 0 HG3 GLU B 188 4.982 6.344 -1.681 1.00 71.14 H new ATOM 1108 N ALA B 189 5.704 1.342 0.314 1.00 22.15 N ATOM 1109 CA ALA B 189 5.402 -0.088 0.381 1.00 34.34 C ATOM 1110 C ALA B 189 5.216 -0.488 1.843 1.00 10.01 C ATOM 1111 O ALA B 189 4.225 -1.113 2.221 1.00 70.11 O ATOM 1112 CB ALA B 189 6.532 -0.898 -0.264 1.00 52.44 C ATOM 0 H ALA B 189 6.659 1.556 0.026 1.00 22.15 H new ATOM 0 HA ALA B 189 4.483 -0.297 -0.167 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.296 -1.961 -0.208 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.640 -0.605 -1.308 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.465 -0.705 0.265 1.00 52.44 H new ATOM 1118 N GLN B 190 6.155 -0.047 2.664 1.00 64.45 N ATOM 1119 CA GLN B 190 6.172 -0.291 4.101 1.00 73.23 C ATOM 1120 C GLN B 190 4.951 0.311 4.815 1.00 61.30 C ATOM 1121 O GLN B 190 4.615 -0.101 5.915 1.00 21.21 O ATOM 1122 CB GLN B 190 7.463 0.260 4.682 1.00 2.33 C ATOM 1123 CG GLN B 190 8.692 -0.446 4.149 1.00 20.12 C ATOM 1124 CD GLN B 190 9.985 0.202 4.589 1.00 2.31 C ATOM 1125 OE1 GLN B 190 10.538 -0.106 5.643 1.00 32.22 O ATOM 1126 NE2 GLN B 190 10.492 1.072 3.772 1.00 62.14 N ATOM 0 H GLN B 190 6.949 0.506 2.342 1.00 64.45 H new ATOM 0 HA GLN B 190 6.121 -1.368 4.263 1.00 73.23 H new ATOM 0 HB2 GLN B 190 7.533 1.324 4.456 1.00 2.33 H new ATOM 0 HB3 GLN B 190 7.437 0.166 5.768 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.681 -1.484 4.482 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.652 -0.460 3.060 1.00 20.12 H new ATOM 0 HE21 GLN B 190 10.005 1.303 2.906 1.00 62.14 H new ATOM 0 HE22 GLN B 190 11.378 1.525 3.995 1.00 62.14 H new ATOM 1135 N GLU B 191 4.315 1.275 4.167 1.00 20.43 N ATOM 1136 CA GLU B 191 3.131 1.978 4.671 1.00 21.04 C ATOM 1137 C GLU B 191 2.039 1.008 5.159 1.00 11.53 C ATOM 1138 O GLU B 191 1.647 1.037 6.328 1.00 43.14 O ATOM 1139 CB GLU B 191 2.575 2.869 3.553 1.00 13.23 C ATOM 1140 CG GLU B 191 1.344 3.669 3.916 1.00 73.14 C ATOM 1141 CD GLU B 191 1.599 4.584 5.059 1.00 25.30 C ATOM 1142 OE1 GLU B 191 2.362 5.550 4.896 1.00 63.00 O ATOM 1143 OE2 GLU B 191 1.039 4.368 6.132 1.00 14.54 O1- ATOM 0 H GLU B 191 4.612 1.604 3.248 1.00 20.43 H new ATOM 0 HA GLU B 191 3.431 2.579 5.530 1.00 21.04 H new ATOM 0 HB2 GLU B 191 3.357 3.560 3.238 1.00 13.23 H new ATOM 0 HB3 GLU B 191 2.340 2.241 2.694 1.00 13.23 H new ATOM 0 HG2 GLU B 191 1.019 4.248 3.052 1.00 73.14 H new ATOM 0 HG3 GLU B 191 0.530 2.989 4.169 1.00 73.14 H new ATOM 1150 N ALA B 192 1.573 0.145 4.274 1.00 12.05 N ATOM 1151 CA ALA B 192 0.499 -0.775 4.622 1.00 52.44 C ATOM 1152 C ALA B 192 1.009 -1.916 5.479 1.00 63.31 C ATOM 1153 O ALA B 192 0.284 -2.413 6.337 1.00 62.12 O ATOM 1154 CB ALA B 192 -0.189 -1.301 3.381 1.00 12.11 C ATOM 0 H ALA B 192 1.916 0.060 3.317 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.235 -0.220 5.206 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.987 -1.986 3.670 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.611 -0.468 2.819 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.535 -1.829 2.760 1.00 12.11 H new ATOM 1160 N LEU B 193 2.271 -2.289 5.252 1.00 21.32 N ATOM 1161 CA LEU B 193 2.962 -3.363 5.972 1.00 65.15 C ATOM 1162 C LEU B 193 2.815 -3.186 7.458 1.00 0.51 C ATOM 1163 O LEU B 193 2.204 -3.985 8.160 1.00 31.01 O ATOM 1164 CB LEU B 193 4.425 -3.211 5.696 1.00 24.10 C ATOM 1165 CG LEU B 193 5.315 -4.252 6.297 1.00 35.55 C ATOM 1166 CD1 LEU B 193 5.356 -5.525 5.469 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.648 -3.655 6.523 1.00 3.03 C ATOM 0 H LEU B 193 2.855 -1.842 4.545 1.00 21.32 H new ATOM 0 HA LEU B 193 2.550 -4.322 5.657 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.573 -3.213 4.616 1.00 24.10 H new ATOM 0 HB3 LEU B 193 4.744 -2.234 6.059 1.00 24.10 H new ATOM 0 HG LEU B 193 4.911 -4.569 7.258 1.00 35.55 H new ATOM 0 HD11 LEU B 193 6.016 -6.249 5.947 1.00 41.22 H new ATOM 0 HD12 LEU B 193 4.352 -5.943 5.394 1.00 41.22 H new ATOM 0 HD13 LEU B 193 5.730 -5.298 4.471 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.311 -4.401 6.961 1.00 3.03 H new ATOM 0 HD22 LEU B 193 7.061 -3.316 5.573 1.00 3.03 H new ATOM 0 HD23 LEU B 193 6.557 -2.807 7.202 1.00 3.03 H new ATOM 1179 N GLU B 194 3.344 -2.084 7.872 1.00 32.42 N ATOM 1180 CA GLU B 194 3.451 -1.624 9.153 1.00 1.13 C ATOM 1181 C GLU B 194 2.117 -1.608 9.875 1.00 25.31 C ATOM 1182 O GLU B 194 1.935 -2.170 10.963 1.00 45.10 O ATOM 1183 CB GLU B 194 3.886 -0.229 8.908 1.00 42.50 C ATOM 1184 CG GLU B 194 4.071 0.478 10.116 1.00 61.52 C ATOM 1185 CD GLU B 194 4.473 1.902 9.941 1.00 43.35 C ATOM 1186 OE1 GLU B 194 3.585 2.774 9.856 1.00 73.13 O ATOM 1187 OE2 GLU B 194 5.680 2.196 9.921 1.00 14.30 O1- ATOM 0 H GLU B 194 3.753 -1.426 7.209 1.00 32.42 H new ATOM 0 HA GLU B 194 4.108 -2.233 9.774 1.00 1.13 H new ATOM 0 HB2 GLU B 194 4.817 -0.232 8.341 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.142 0.282 8.297 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.144 0.443 10.689 1.00 61.52 H new ATOM 0 HG3 GLU B 194 4.831 -0.031 10.708 1.00 61.52 H new ATOM 1194 N LYS B 195 1.263 -0.913 9.257 1.00 35.45 N ATOM 1195 CA LYS B 195 -0.039 -0.619 9.640 1.00 0.22 C ATOM 1196 C LYS B 195 -0.954 -1.862 9.809 1.00 34.32 C ATOM 1197 O LYS B 195 -1.870 -1.834 10.643 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.479 0.329 8.577 1.00 52.22 C ATOM 1199 CG LYS B 195 -1.843 0.862 8.647 1.00 23.11 C ATOM 1200 CD LYS B 195 -1.958 2.055 7.713 1.00 42.32 C ATOM 1201 CE LYS B 195 -1.167 3.267 8.245 1.00 61.10 C ATOM 1202 NZ LYS B 195 -1.243 4.445 7.354 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.492 -0.485 8.360 1.00 35.45 H new ATOM 0 HA LYS B 195 -0.099 -0.191 10.641 1.00 0.22 H new ATOM 0 HB2 LYS B 195 0.209 1.174 8.578 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -0.366 -0.172 7.616 1.00 52.22 H new ATOM 0 HG2 LYS B 195 -2.562 0.093 8.365 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -2.079 1.160 9.669 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -1.587 1.782 6.725 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -3.007 2.327 7.596 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -1.548 3.538 9.230 1.00 61.10 H new ATOM 0 HE3 LYS B 195 -0.123 2.983 8.374 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 -0.454 4.420 6.677 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 -2.144 4.430 6.835 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 -1.184 5.314 7.922 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.741 -2.932 9.044 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.502 -4.103 9.238 1.00 65.11 C ATOM 1218 C LEU B 196 -0.893 -4.941 10.331 1.00 32.01 C ATOM 1219 O LEU B 196 -1.596 -5.664 11.039 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.575 -4.900 7.947 1.00 75.42 C ATOM 1221 CG LEU B 196 -0.326 -5.627 7.439 1.00 24.30 C ATOM 1222 CD1 LEU B 196 -0.298 -7.075 7.930 1.00 63.01 C ATOM 1223 CD2 LEU B 196 -0.249 -5.548 5.932 1.00 63.35 C ATOM 0 H LEU B 196 -0.047 -2.984 8.298 1.00 42.45 H new ATOM 0 HA LEU B 196 -2.512 -3.820 9.533 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -2.361 -5.646 8.067 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.899 -4.219 7.160 1.00 75.42 H new ATOM 0 HG LEU B 196 0.555 -5.131 7.846 1.00 24.30 H new ATOM 0 HD11 LEU B 196 0.599 -7.569 7.555 1.00 63.01 H new ATOM 0 HD12 LEU B 196 -0.292 -7.090 9.020 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -1.181 -7.600 7.565 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.644 -6.069 5.585 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -1.133 -6.015 5.498 1.00 63.35 H new ATOM 0 HD23 LEU B 196 -0.202 -4.503 5.624 1.00 63.35 H new ATOM 1235 N GLN B 197 0.411 -4.856 10.457 1.00 54.12 N ATOM 1236 CA GLN B 197 1.116 -5.656 11.402 1.00 1.52 C ATOM 1237 C GLN B 197 0.795 -5.260 12.826 1.00 14.31 C ATOM 1238 O GLN B 197 0.565 -4.077 13.120 1.00 23.34 O ATOM 1239 CB GLN B 197 2.616 -5.660 11.158 1.00 12.04 C ATOM 1240 CG GLN B 197 3.029 -6.453 9.936 1.00 14.33 C ATOM 1241 CD GLN B 197 4.521 -6.531 9.786 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.144 -5.688 9.140 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.117 -7.534 10.379 1.00 34.25 N ATOM 0 H GLN B 197 1.000 -4.231 9.906 1.00 54.12 H new ATOM 0 HA GLN B 197 0.767 -6.678 11.255 1.00 1.52 H new ATOM 0 HB2 GLN B 197 2.960 -4.632 11.047 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.117 -6.071 12.034 1.00 12.04 H new ATOM 0 HG2 GLN B 197 2.620 -7.461 10.004 1.00 14.33 H new ATOM 0 HG3 GLN B 197 2.600 -5.994 9.045 1.00 14.33 H new ATOM 0 HE21 GLN B 197 4.569 -8.214 10.906 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.130 -7.636 10.314 1.00 34.25 H new ATOM 1252 N SER B 198 0.753 -6.239 13.693 1.00 33.54 N ATOM 1253 CA SER B 198 0.445 -6.019 15.068 1.00 12.43 C ATOM 1254 C SER B 198 1.568 -5.206 15.713 1.00 1.54 C ATOM 1255 O SER B 198 2.751 -5.552 15.603 1.00 24.20 O ATOM 1256 CB SER B 198 0.286 -7.364 15.745 1.00 25.00 C ATOM 1257 OG SER B 198 -0.649 -8.182 15.025 1.00 4.45 O ATOM 0 H SER B 198 0.934 -7.214 13.456 1.00 33.54 H new ATOM 0 HA SER B 198 -0.484 -5.458 15.173 1.00 12.43 H new ATOM 0 HB2 SER B 198 1.252 -7.867 15.799 1.00 25.00 H new ATOM 0 HB3 SER B 198 -0.058 -7.224 16.770 1.00 25.00 H new ATOM 0 HG SER B 198 -0.739 -9.048 15.474 1.00 4.45 H new ATOM 1263 N HIS B 199 1.201 -4.169 16.386 1.00 64.41 N ATOM 1264 CA HIS B 199 2.142 -3.250 16.937 1.00 72.30 C ATOM 1265 C HIS B 199 1.707 -2.926 18.339 1.00 63.44 C ATOM 1266 O HIS B 199 2.303 -3.440 19.284 1.00 64.51 O ATOM 1267 CB HIS B 199 2.197 -1.977 16.077 1.00 55.12 C ATOM 1268 CG HIS B 199 3.303 -1.031 16.440 1.00 44.44 C ATOM 1269 ND1 HIS B 199 3.095 0.199 17.018 1.00 1.01 N ATOM 1270 CD2 HIS B 199 4.635 -1.132 16.262 1.00 11.40 C ATOM 1271 CE1 HIS B 199 4.249 0.803 17.174 1.00 1.32 C ATOM 1272 NE2 HIS B 199 5.198 0.020 16.726 1.00 12.31 N ATOM 0 H HIS B 199 0.227 -3.931 16.572 1.00 64.41 H new ATOM 0 HA HIS B 199 3.141 -3.686 16.951 1.00 72.30 H new ATOM 0 HB2 HIS B 199 2.309 -2.264 15.032 1.00 55.12 H new ATOM 0 HB3 HIS B 199 1.245 -1.454 16.163 1.00 55.12 H new ATOM 0 HD2 HIS B 199 5.160 -1.971 15.831 1.00 11.40 H new ATOM 0 HE1 HIS B 199 4.393 1.784 17.601 1.00 1.32 H new ATOM 0 HE2 HIS B 199 6.195 0.236 16.724 1.00 12.31 H new