USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 855 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: A 104 SER OG : rot -47:sc= 1.26 USER MOD Set 1.2: A 111 GLN : amide:sc= 0.76 K(o=2.5,f=0.45) USER MOD Set 1.3: A 113 TYR OH : rot -77:sc= 0.482 USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.601 K(o=0.1,f=-7.8!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.61 K(o=0.1,f=-3.8) USER MOD Set 2.3: A 145 SER OG : rot 119:sc= 1.31 USER MOD Single : A 44 GLN : amide:sc= 0.44 X(o=0.44,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 146:sc= 1.26 USER MOD Single : A 64 GLN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD Single : A 66 GLN : amide:sc= -4.49! C(o=-4.5!,f=-8.5!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0607 USER MOD Single : A 70 SER OG : rot -100:sc= -0.467 USER MOD Single : A 71 ASN : amide:sc= -0.082 X(o=-0.082,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.791 X(o=-0.79,f=-0.35) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -132:sc= 1.06 USER MOD Single : A 89 ASN : amide:sc= -0.273 K(o=-0.27,f=-9!) USER MOD Single : A 98 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.043) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.907 K(o=0.91,f=-0.026) USER MOD Single : A 108 THR OG1 : rot -13:sc= 0.299 USER MOD Single : A 115 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.2) USER MOD Single : A 122 CYS SG : rot 131:sc= -0.103 USER MOD Single : A 127 GLN : amide:sc= 1.09 K(o=1.1,f=-0.095) USER MOD Single : A 128 MET CE :methyl -175:sc= -1.3 (180deg=-1.41) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc=-0.00179 K(o=-0.0018,f=-0.56) USER MOD Single : A 139 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.19) USER MOD Single : A 140 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.19) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.898 -3.936 -17.903 1.00 0.89 N ATOM 129 CA ALA A 42 -2.390 -2.916 -16.981 1.00 0.77 C ATOM 130 C ALA A 42 -3.819 -3.191 -16.464 1.00 0.65 C ATOM 131 O ALA A 42 -4.109 -2.955 -15.293 1.00 0.58 O ATOM 132 CB ALA A 42 -2.328 -1.594 -17.744 1.00 0.98 C ATOM 0 HA ALA A 42 -1.772 -2.903 -16.083 1.00 0.77 H new ATOM 0 HB1 ALA A 42 -2.685 -0.787 -17.104 1.00 0.98 H new ATOM 0 HB2 ALA A 42 -1.299 -1.393 -18.041 1.00 0.98 H new ATOM 0 HB3 ALA A 42 -2.956 -1.657 -18.633 1.00 0.98 H new ATOM 138 N GLU A 43 -4.697 -3.753 -17.300 1.00 0.70 N ATOM 139 CA GLU A 43 -6.068 -4.133 -16.937 1.00 0.67 C ATOM 140 C GLU A 43 -6.152 -5.284 -15.909 1.00 0.56 C ATOM 141 O GLU A 43 -7.141 -5.376 -15.176 1.00 0.56 O ATOM 142 CB GLU A 43 -6.894 -4.425 -18.206 1.00 0.83 C ATOM 143 CG GLU A 43 -6.384 -5.552 -19.125 1.00 0.96 C ATOM 144 CD GLU A 43 -5.479 -5.053 -20.263 1.00 1.32 C ATOM 145 OE1 GLU A 43 -4.718 -4.072 -20.072 1.00 2.68 O ATOM 146 OE2 GLU A 43 -5.491 -5.665 -21.356 1.00 2.00 O ATOM 0 H GLU A 43 -4.470 -3.962 -18.272 1.00 0.70 H new ATOM 0 HA GLU A 43 -6.504 -3.276 -16.423 1.00 0.67 H new ATOM 0 HB2 GLU A 43 -7.911 -4.671 -17.900 1.00 0.83 H new ATOM 0 HB3 GLU A 43 -6.950 -3.508 -18.793 1.00 0.83 H new ATOM 0 HG2 GLU A 43 -5.834 -6.278 -18.526 1.00 0.96 H new ATOM 0 HG3 GLU A 43 -7.239 -6.075 -19.554 1.00 0.96 H new ATOM 153 N GLN A 44 -5.109 -6.117 -15.792 1.00 0.52 N ATOM 154 CA GLN A 44 -4.960 -7.099 -14.713 1.00 0.45 C ATOM 155 C GLN A 44 -4.543 -6.419 -13.411 1.00 0.36 C ATOM 156 O GLN A 44 -5.177 -6.645 -12.384 1.00 0.35 O ATOM 157 CB GLN A 44 -3.916 -8.147 -15.116 1.00 0.51 C ATOM 158 CG GLN A 44 -3.457 -9.110 -14.014 1.00 0.59 C ATOM 159 CD GLN A 44 -4.557 -10.033 -13.515 1.00 0.71 C ATOM 160 OE1 GLN A 44 -4.717 -11.154 -13.980 1.00 1.08 O ATOM 161 NE2 GLN A 44 -5.361 -9.603 -12.569 1.00 0.71 N ATOM 0 H GLN A 44 -4.334 -6.126 -16.455 1.00 0.52 H new ATOM 0 HA GLN A 44 -5.921 -7.586 -14.548 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -4.323 -8.737 -15.937 1.00 0.51 H new ATOM 0 HB3 GLN A 44 -3.040 -7.626 -15.501 1.00 0.51 H new ATOM 0 HG2 GLN A 44 -2.631 -9.713 -14.391 1.00 0.59 H new ATOM 0 HG3 GLN A 44 -3.071 -8.531 -13.175 1.00 0.59 H new ATOM 0 HE21 GLN A 44 -5.234 -8.670 -12.177 1.00 0.71 H new ATOM 0 HE22 GLN A 44 -6.112 -10.202 -12.227 1.00 0.71 H new ATOM 170 N LEU A 45 -3.478 -5.611 -13.437 1.00 0.34 N ATOM 171 CA LEU A 45 -2.962 -4.879 -12.276 1.00 0.29 C ATOM 172 C LEU A 45 -3.998 -3.912 -11.679 1.00 0.27 C ATOM 173 O LEU A 45 -4.102 -3.788 -10.461 1.00 0.26 O ATOM 174 CB LEU A 45 -1.714 -4.123 -12.725 1.00 0.35 C ATOM 175 CG LEU A 45 -0.413 -4.944 -12.794 1.00 0.41 C ATOM 176 CD1 LEU A 45 0.159 -5.115 -11.383 1.00 0.41 C ATOM 177 CD2 LEU A 45 -0.515 -6.322 -13.452 1.00 0.54 C ATOM 0 H LEU A 45 -2.938 -5.444 -14.286 1.00 0.34 H new ATOM 0 HA LEU A 45 -2.726 -5.589 -11.483 1.00 0.29 H new ATOM 0 HB2 LEU A 45 -1.905 -3.700 -13.711 1.00 0.35 H new ATOM 0 HB3 LEU A 45 -1.556 -3.286 -12.044 1.00 0.35 H new ATOM 0 HG LEU A 45 0.240 -4.363 -13.445 1.00 0.41 H new ATOM 0 HD11 LEU A 45 1.080 -5.696 -11.432 1.00 0.41 H new ATOM 0 HD12 LEU A 45 0.370 -4.135 -10.955 1.00 0.41 H new ATOM 0 HD13 LEU A 45 -0.566 -5.636 -10.757 1.00 0.41 H new ATOM 0 HD21 LEU A 45 0.463 -6.803 -13.442 1.00 0.54 H new ATOM 0 HD22 LEU A 45 -1.228 -6.936 -12.902 1.00 0.54 H new ATOM 0 HD23 LEU A 45 -0.853 -6.209 -14.482 1.00 0.54 H new ATOM 189 N ASP A 46 -4.825 -3.305 -12.529 1.00 0.30 N ATOM 190 CA ASP A 46 -5.971 -2.487 -12.114 1.00 0.32 C ATOM 191 C ASP A 46 -6.989 -3.321 -11.317 1.00 0.30 C ATOM 192 O ASP A 46 -7.406 -2.968 -10.218 1.00 0.34 O ATOM 193 CB ASP A 46 -6.621 -1.904 -13.373 1.00 0.44 C ATOM 194 CG ASP A 46 -7.879 -1.082 -13.081 1.00 0.77 C ATOM 195 OD1 ASP A 46 -7.764 0.032 -12.509 1.00 1.58 O ATOM 196 OD2 ASP A 46 -8.971 -1.523 -13.515 1.00 1.84 O ATOM 0 H ASP A 46 -4.719 -3.367 -13.542 1.00 0.30 H new ATOM 0 HA ASP A 46 -5.630 -1.685 -11.459 1.00 0.32 H new ATOM 0 HB2 ASP A 46 -5.896 -1.275 -13.889 1.00 0.44 H new ATOM 0 HB3 ASP A 46 -6.877 -2.718 -14.051 1.00 0.44 H new ATOM 201 N ALA A 47 -7.326 -4.503 -11.827 1.00 0.32 N ATOM 202 CA ALA A 47 -8.263 -5.401 -11.158 1.00 0.35 C ATOM 203 C ALA A 47 -7.668 -5.951 -9.854 1.00 0.36 C ATOM 204 O ALA A 47 -8.409 -6.182 -8.899 1.00 0.46 O ATOM 205 CB ALA A 47 -8.634 -6.522 -12.124 1.00 0.42 C ATOM 0 H ALA A 47 -6.961 -4.863 -12.709 1.00 0.32 H new ATOM 0 HA ALA A 47 -9.164 -4.853 -10.881 1.00 0.35 H new ATOM 0 HB1 ALA A 47 -9.334 -7.203 -11.640 1.00 0.42 H new ATOM 0 HB2 ALA A 47 -9.098 -6.097 -13.014 1.00 0.42 H new ATOM 0 HB3 ALA A 47 -7.735 -7.069 -12.410 1.00 0.42 H new ATOM 211 N LEU A 48 -6.337 -6.088 -9.812 1.00 0.32 N ATOM 212 CA LEU A 48 -5.513 -6.468 -8.663 1.00 0.33 C ATOM 213 C LEU A 48 -5.596 -5.422 -7.536 1.00 0.32 C ATOM 214 O LEU A 48 -5.854 -5.785 -6.388 1.00 0.39 O ATOM 215 CB LEU A 48 -4.072 -6.664 -9.179 1.00 0.32 C ATOM 216 CG LEU A 48 -3.517 -8.097 -9.095 1.00 0.48 C ATOM 217 CD1 LEU A 48 -2.298 -8.262 -10.003 1.00 0.58 C ATOM 218 CD2 LEU A 48 -3.108 -8.451 -7.689 1.00 0.91 C ATOM 0 H LEU A 48 -5.768 -5.924 -10.643 1.00 0.32 H new ATOM 0 HA LEU A 48 -5.875 -7.396 -8.220 1.00 0.33 H new ATOM 0 HB2 LEU A 48 -4.032 -6.340 -10.219 1.00 0.32 H new ATOM 0 HB3 LEU A 48 -3.412 -6.006 -8.614 1.00 0.32 H new ATOM 0 HG LEU A 48 -4.318 -8.762 -9.417 1.00 0.48 H new ATOM 0 HD11 LEU A 48 -1.923 -9.283 -9.927 1.00 0.58 H new ATOM 0 HD12 LEU A 48 -2.582 -8.056 -11.035 1.00 0.58 H new ATOM 0 HD13 LEU A 48 -1.518 -7.565 -9.695 1.00 0.58 H new ATOM 0 HD21 LEU A 48 -2.721 -9.470 -7.668 1.00 0.91 H new ATOM 0 HD22 LEU A 48 -2.334 -7.762 -7.351 1.00 0.91 H new ATOM 0 HD23 LEU A 48 -3.973 -8.378 -7.029 1.00 0.91 H new ATOM 230 N VAL A 49 -5.479 -4.122 -7.839 1.00 0.29 N ATOM 231 CA VAL A 49 -5.758 -3.069 -6.839 1.00 0.31 C ATOM 232 C VAL A 49 -7.243 -2.903 -6.521 1.00 0.34 C ATOM 233 O VAL A 49 -7.572 -2.390 -5.456 1.00 0.44 O ATOM 234 CB VAL A 49 -5.137 -1.705 -7.199 1.00 0.32 C ATOM 235 CG1 VAL A 49 -3.619 -1.736 -7.265 1.00 0.35 C ATOM 236 CG2 VAL A 49 -5.608 -1.135 -8.532 1.00 0.32 C ATOM 0 H VAL A 49 -5.197 -3.772 -8.755 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.268 -3.432 -5.935 1.00 0.31 H new ATOM 0 HB VAL A 49 -5.480 -1.070 -6.382 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -3.246 -0.745 -7.523 1.00 0.35 H new ATOM 0 HG12 VAL A 49 -3.219 -2.034 -6.296 1.00 0.35 H new ATOM 0 HG13 VAL A 49 -3.302 -2.452 -8.024 1.00 0.35 H new ATOM 0 HG21 VAL A 49 -5.123 -0.175 -8.709 1.00 0.32 H new ATOM 0 HG22 VAL A 49 -5.349 -1.825 -9.335 1.00 0.32 H new ATOM 0 HG23 VAL A 49 -6.689 -0.997 -8.507 1.00 0.32 H new ATOM 246 N LYS A 50 -8.157 -3.373 -7.380 1.00 0.31 N ATOM 247 CA LYS A 50 -9.603 -3.322 -7.158 1.00 0.33 C ATOM 248 C LYS A 50 -10.194 -4.538 -6.436 1.00 0.38 C ATOM 249 O LYS A 50 -11.410 -4.599 -6.249 1.00 0.50 O ATOM 250 CB LYS A 50 -10.218 -3.054 -8.531 1.00 0.41 C ATOM 251 CG LYS A 50 -9.990 -1.609 -9.001 1.00 1.31 C ATOM 252 CD LYS A 50 -10.481 -0.484 -8.079 1.00 0.65 C ATOM 253 CE LYS A 50 -11.955 -0.626 -7.695 1.00 1.30 C ATOM 254 NZ LYS A 50 -12.337 0.368 -6.665 1.00 2.38 N ATOM 0 H LYS A 50 -7.903 -3.808 -8.267 1.00 0.31 H new ATOM 0 HA LYS A 50 -9.846 -2.527 -6.453 1.00 0.33 H new ATOM 0 HB2 LYS A 50 -9.789 -3.742 -9.259 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -11.288 -3.257 -8.493 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -8.921 -1.471 -9.162 1.00 1.31 H new ATOM 0 HG3 LYS A 50 -10.476 -1.488 -9.969 1.00 1.31 H new ATOM 0 HD2 LYS A 50 -9.875 -0.474 -7.173 1.00 0.65 H new ATOM 0 HD3 LYS A 50 -10.331 0.475 -8.574 1.00 0.65 H new ATOM 0 HE2 LYS A 50 -12.578 -0.495 -8.580 1.00 1.30 H new ATOM 0 HE3 LYS A 50 -12.141 -1.632 -7.320 1.00 1.30 H new ATOM 0 HZ1 LYS A 50 -13.342 0.249 -6.423 1.00 2.38 H new ATOM 0 HZ2 LYS A 50 -11.757 0.226 -5.814 1.00 2.38 H new ATOM 0 HZ3 LYS A 50 -12.181 1.328 -7.034 1.00 2.38 H new ATOM 268 N LYS A 51 -9.343 -5.467 -5.981 1.00 0.35 N ATOM 269 CA LYS A 51 -9.705 -6.557 -5.049 1.00 0.39 C ATOM 270 C LYS A 51 -10.244 -6.026 -3.719 1.00 0.58 C ATOM 271 O LYS A 51 -11.194 -6.605 -3.191 1.00 0.84 O ATOM 272 CB LYS A 51 -8.483 -7.455 -4.765 1.00 0.48 C ATOM 273 CG LYS A 51 -8.429 -8.789 -5.524 1.00 0.67 C ATOM 274 CD LYS A 51 -8.468 -8.604 -7.038 1.00 0.94 C ATOM 275 CE LYS A 51 -8.105 -9.852 -7.848 1.00 0.78 C ATOM 276 NZ LYS A 51 -9.152 -10.906 -7.811 1.00 1.27 N ATOM 0 H LYS A 51 -8.360 -5.487 -6.253 1.00 0.35 H new ATOM 0 HA LYS A 51 -10.492 -7.134 -5.535 1.00 0.39 H new ATOM 0 HB2 LYS A 51 -7.581 -6.890 -5.001 1.00 0.48 H new ATOM 0 HB3 LYS A 51 -8.456 -7.668 -3.696 1.00 0.48 H new ATOM 0 HG2 LYS A 51 -7.519 -9.322 -5.250 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.268 -9.412 -5.216 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -9.469 -8.281 -7.325 1.00 0.94 H new ATOM 0 HD3 LYS A 51 -7.783 -7.800 -7.309 1.00 0.94 H new ATOM 0 HE2 LYS A 51 -7.926 -9.564 -8.884 1.00 0.78 H new ATOM 0 HE3 LYS A 51 -7.171 -10.265 -7.466 1.00 0.78 H new ATOM 0 HZ1 LYS A 51 -8.844 -11.721 -8.378 1.00 1.27 H new ATOM 0 HZ2 LYS A 51 -9.307 -11.207 -6.828 1.00 1.27 H new ATOM 0 HZ3 LYS A 51 -10.039 -10.528 -8.201 1.00 1.27 H new ATOM 290 N ASP A 52 -9.658 -4.953 -3.188 1.00 0.50 N ATOM 291 CA ASP A 52 -10.019 -4.381 -1.884 1.00 0.51 C ATOM 292 C ASP A 52 -9.938 -2.854 -1.892 1.00 0.43 C ATOM 293 O ASP A 52 -9.453 -2.251 -2.853 1.00 0.36 O ATOM 294 CB ASP A 52 -9.098 -4.944 -0.789 1.00 0.54 C ATOM 295 CG ASP A 52 -9.892 -5.375 0.439 1.00 0.70 C ATOM 296 OD1 ASP A 52 -10.574 -4.505 1.013 1.00 1.68 O ATOM 297 OD2 ASP A 52 -9.844 -6.564 0.835 1.00 1.69 O ATOM 0 H ASP A 52 -8.907 -4.446 -3.657 1.00 0.50 H new ATOM 0 HA ASP A 52 -11.052 -4.661 -1.676 1.00 0.51 H new ATOM 0 HB2 ASP A 52 -8.542 -5.795 -1.182 1.00 0.54 H new ATOM 0 HB3 ASP A 52 -8.366 -4.189 -0.504 1.00 0.54 H new ATOM 302 N LYS A 53 -10.342 -2.220 -0.787 1.00 0.49 N ATOM 303 CA LYS A 53 -10.227 -0.766 -0.632 1.00 0.47 C ATOM 304 C LYS A 53 -8.841 -0.324 -0.179 1.00 0.41 C ATOM 305 O LYS A 53 -8.467 0.824 -0.408 1.00 0.42 O ATOM 306 CB LYS A 53 -11.353 -0.219 0.250 1.00 0.51 C ATOM 307 CG LYS A 53 -11.194 -0.335 1.766 1.00 1.27 C ATOM 308 CD LYS A 53 -11.195 -1.711 2.417 1.00 0.53 C ATOM 309 CE LYS A 53 -12.562 -2.363 2.246 1.00 1.20 C ATOM 310 NZ LYS A 53 -12.547 -3.758 2.732 1.00 1.43 N ATOM 0 H LYS A 53 -10.754 -2.693 0.017 1.00 0.49 H new ATOM 0 HA LYS A 53 -10.351 -0.323 -1.620 1.00 0.47 H new ATOM 0 HB2 LYS A 53 -11.486 0.835 0.007 1.00 0.51 H new ATOM 0 HB3 LYS A 53 -12.275 -0.729 -0.030 1.00 0.51 H new ATOM 0 HG2 LYS A 53 -10.257 0.152 2.034 1.00 1.27 H new ATOM 0 HG3 LYS A 53 -11.997 0.243 2.224 1.00 1.27 H new ATOM 0 HD2 LYS A 53 -10.425 -2.337 1.967 1.00 0.53 H new ATOM 0 HD3 LYS A 53 -10.954 -1.622 3.476 1.00 0.53 H new ATOM 0 HE2 LYS A 53 -13.312 -1.792 2.792 1.00 1.20 H new ATOM 0 HE3 LYS A 53 -12.849 -2.343 1.195 1.00 1.20 H new ATOM 0 HZ1 LYS A 53 -13.518 -4.131 2.748 1.00 1.43 H new ATOM 0 HZ2 LYS A 53 -11.963 -4.340 2.098 1.00 1.43 H new ATOM 0 HZ3 LYS A 53 -12.150 -3.787 3.693 1.00 1.43 H new ATOM 324 N VAL A 54 -8.081 -1.245 0.420 1.00 0.41 N ATOM 325 CA VAL A 54 -6.688 -1.068 0.828 1.00 0.40 C ATOM 326 C VAL A 54 -5.928 -2.282 0.344 1.00 0.48 C ATOM 327 O VAL A 54 -6.201 -3.421 0.721 1.00 0.86 O ATOM 328 CB VAL A 54 -6.482 -0.938 2.351 1.00 0.35 C ATOM 329 CG1 VAL A 54 -5.474 0.152 2.682 1.00 0.42 C ATOM 330 CG2 VAL A 54 -7.770 -0.692 3.116 1.00 0.31 C ATOM 0 H VAL A 54 -8.437 -2.174 0.643 1.00 0.41 H new ATOM 0 HA VAL A 54 -6.335 -0.132 0.395 1.00 0.40 H new ATOM 0 HB VAL A 54 -6.094 -1.904 2.674 1.00 0.35 H new ATOM 0 HG11 VAL A 54 -5.351 0.218 3.763 1.00 0.42 H new ATOM 0 HG12 VAL A 54 -4.515 -0.087 2.222 1.00 0.42 H new ATOM 0 HG13 VAL A 54 -5.832 1.107 2.298 1.00 0.42 H new ATOM 0 HG21 VAL A 54 -7.551 -0.611 4.181 1.00 0.31 H new ATOM 0 HG22 VAL A 54 -8.229 0.234 2.768 1.00 0.31 H new ATOM 0 HG23 VAL A 54 -8.457 -1.522 2.949 1.00 0.31 H new ATOM 340 N VAL A 55 -4.956 -2.032 -0.500 1.00 0.28 N ATOM 341 CA VAL A 55 -4.130 -3.068 -1.114 1.00 0.27 C ATOM 342 C VAL A 55 -2.683 -2.607 -1.059 1.00 0.23 C ATOM 343 O VAL A 55 -2.317 -1.550 -1.578 1.00 0.24 O ATOM 344 CB VAL A 55 -4.567 -3.354 -2.555 1.00 0.28 C ATOM 345 CG1 VAL A 55 -5.657 -4.417 -2.663 1.00 1.40 C ATOM 346 CG2 VAL A 55 -5.157 -2.126 -3.202 1.00 1.47 C ATOM 0 H VAL A 55 -4.705 -1.087 -0.791 1.00 0.28 H new ATOM 0 HA VAL A 55 -4.245 -4.004 -0.567 1.00 0.27 H new ATOM 0 HB VAL A 55 -3.654 -3.693 -3.045 1.00 0.28 H new ATOM 0 HG11 VAL A 55 -5.916 -4.567 -3.711 1.00 1.40 H new ATOM 0 HG12 VAL A 55 -5.294 -5.354 -2.241 1.00 1.40 H new ATOM 0 HG13 VAL A 55 -6.540 -4.090 -2.114 1.00 1.40 H new ATOM 0 HG21 VAL A 55 -5.457 -2.361 -4.223 1.00 1.47 H new ATOM 0 HG22 VAL A 55 -6.028 -1.798 -2.634 1.00 1.47 H new ATOM 0 HG23 VAL A 55 -4.413 -1.330 -3.217 1.00 1.47 H new ATOM 356 N VAL A 56 -1.876 -3.399 -0.371 1.00 0.22 N ATOM 357 CA VAL A 56 -0.505 -3.085 0.027 1.00 0.21 C ATOM 358 C VAL A 56 0.442 -3.995 -0.711 1.00 0.22 C ATOM 359 O VAL A 56 0.100 -5.125 -1.014 1.00 0.26 O ATOM 360 CB VAL A 56 -0.349 -3.207 1.549 1.00 0.21 C ATOM 361 CG1 VAL A 56 1.025 -2.855 2.061 1.00 0.23 C ATOM 362 CG2 VAL A 56 -1.219 -2.148 2.205 1.00 0.25 C ATOM 0 H VAL A 56 -2.170 -4.324 -0.058 1.00 0.22 H new ATOM 0 HA VAL A 56 -0.267 -2.054 -0.236 1.00 0.21 H new ATOM 0 HB VAL A 56 -0.593 -4.245 1.776 1.00 0.21 H new ATOM 0 HG11 VAL A 56 1.049 -2.968 3.145 1.00 0.23 H new ATOM 0 HG12 VAL A 56 1.762 -3.519 1.610 1.00 0.23 H new ATOM 0 HG13 VAL A 56 1.258 -1.823 1.798 1.00 0.23 H new ATOM 0 HG21 VAL A 56 -1.122 -2.218 3.288 1.00 0.25 H new ATOM 0 HG22 VAL A 56 -0.900 -1.159 1.875 1.00 0.25 H new ATOM 0 HG23 VAL A 56 -2.260 -2.306 1.923 1.00 0.25 H new ATOM 372 N PHE A 57 1.617 -3.498 -1.040 1.00 0.22 N ATOM 373 CA PHE A 57 2.452 -4.072 -2.081 1.00 0.22 C ATOM 374 C PHE A 57 3.887 -3.982 -1.634 1.00 0.25 C ATOM 375 O PHE A 57 4.422 -2.878 -1.575 1.00 0.29 O ATOM 376 CB PHE A 57 2.262 -3.197 -3.311 1.00 0.24 C ATOM 377 CG PHE A 57 1.086 -3.592 -4.167 1.00 0.25 C ATOM 378 CD1 PHE A 57 1.226 -4.529 -5.205 1.00 1.78 C ATOM 379 CD2 PHE A 57 -0.155 -3.001 -3.914 1.00 1.60 C ATOM 380 CE1 PHE A 57 0.124 -4.840 -6.025 1.00 1.82 C ATOM 381 CE2 PHE A 57 -1.262 -3.326 -4.719 1.00 1.57 C ATOM 382 CZ PHE A 57 -1.123 -4.229 -5.793 1.00 0.32 C ATOM 0 H PHE A 57 2.024 -2.678 -0.590 1.00 0.22 H new ATOM 0 HA PHE A 57 2.196 -5.111 -2.288 1.00 0.22 H new ATOM 0 HB2 PHE A 57 2.135 -2.162 -2.992 1.00 0.24 H new ATOM 0 HB3 PHE A 57 3.168 -3.236 -3.916 1.00 0.24 H new ATOM 0 HD1 PHE A 57 2.178 -5.010 -5.374 1.00 1.78 H new ATOM 0 HD2 PHE A 57 -0.264 -2.297 -3.103 1.00 1.60 H new ATOM 0 HE1 PHE A 57 0.236 -5.548 -6.833 1.00 1.82 H new ATOM 0 HE2 PHE A 57 -2.224 -2.881 -4.513 1.00 1.57 H new ATOM 0 HZ PHE A 57 -1.965 -4.450 -6.432 1.00 0.32 H new ATOM 392 N LEU A 58 4.497 -5.099 -1.262 1.00 0.26 N ATOM 393 CA LEU A 58 5.846 -5.084 -0.754 1.00 0.28 C ATOM 394 C LEU A 58 6.550 -6.420 -1.059 1.00 0.30 C ATOM 395 O LEU A 58 5.892 -7.447 -1.219 1.00 0.35 O ATOM 396 CB LEU A 58 5.797 -4.639 0.724 1.00 0.32 C ATOM 397 CG LEU A 58 4.491 -4.753 1.556 1.00 0.30 C ATOM 398 CD1 LEU A 58 4.105 -6.152 2.020 1.00 0.31 C ATOM 399 CD2 LEU A 58 4.667 -3.841 2.764 1.00 0.39 C ATOM 0 H LEU A 58 4.071 -6.025 -1.306 1.00 0.26 H new ATOM 0 HA LEU A 58 6.479 -4.353 -1.258 1.00 0.28 H new ATOM 0 HB2 LEU A 58 6.562 -5.208 1.253 1.00 0.32 H new ATOM 0 HB3 LEU A 58 6.101 -3.593 0.752 1.00 0.32 H new ATOM 0 HG LEU A 58 3.669 -4.465 0.900 1.00 0.30 H new ATOM 0 HD11 LEU A 58 3.177 -6.103 2.590 1.00 0.31 H new ATOM 0 HD12 LEU A 58 3.964 -6.797 1.153 1.00 0.31 H new ATOM 0 HD13 LEU A 58 4.897 -6.558 2.649 1.00 0.31 H new ATOM 0 HD21 LEU A 58 3.773 -3.884 3.386 1.00 0.39 H new ATOM 0 HD22 LEU A 58 5.529 -4.169 3.345 1.00 0.39 H new ATOM 0 HD23 LEU A 58 4.826 -2.817 2.427 1.00 0.39 H new ATOM 411 N LYS A 59 7.881 -6.443 -1.193 1.00 0.31 N ATOM 412 CA LYS A 59 8.647 -7.700 -1.357 1.00 0.36 C ATOM 413 C LYS A 59 8.778 -8.422 -0.003 1.00 0.42 C ATOM 414 O LYS A 59 9.882 -8.594 0.504 1.00 0.50 O ATOM 415 CB LYS A 59 10.004 -7.414 -2.039 1.00 0.42 C ATOM 416 CG LYS A 59 10.767 -6.191 -1.488 1.00 0.50 C ATOM 417 CD LYS A 59 12.287 -6.245 -1.702 1.00 0.76 C ATOM 418 CE LYS A 59 12.680 -6.700 -3.114 1.00 1.01 C ATOM 419 NZ LYS A 59 14.150 -6.811 -3.260 1.00 1.40 N ATOM 0 H LYS A 59 8.460 -5.603 -1.192 1.00 0.31 H new ATOM 0 HA LYS A 59 8.110 -8.380 -2.018 1.00 0.36 H new ATOM 0 HB2 LYS A 59 10.638 -8.295 -1.936 1.00 0.42 H new ATOM 0 HB3 LYS A 59 9.833 -7.266 -3.105 1.00 0.42 H new ATOM 0 HG2 LYS A 59 10.377 -5.290 -1.962 1.00 0.50 H new ATOM 0 HG3 LYS A 59 10.565 -6.102 -0.421 1.00 0.50 H new ATOM 0 HD2 LYS A 59 12.710 -5.258 -1.514 1.00 0.76 H new ATOM 0 HD3 LYS A 59 12.727 -6.925 -0.972 1.00 0.76 H new ATOM 0 HE2 LYS A 59 12.218 -7.664 -3.328 1.00 1.01 H new ATOM 0 HE3 LYS A 59 12.293 -5.991 -3.846 1.00 1.01 H new ATOM 0 HZ1 LYS A 59 14.381 -7.120 -4.226 1.00 1.40 H new ATOM 0 HZ2 LYS A 59 14.588 -5.885 -3.079 1.00 1.40 H new ATOM 0 HZ3 LYS A 59 14.515 -7.506 -2.577 1.00 1.40 H new ATOM 433 N GLY A 60 7.647 -8.853 0.560 1.00 0.43 N ATOM 434 CA GLY A 60 7.529 -9.277 1.961 1.00 0.46 C ATOM 435 C GLY A 60 6.089 -9.403 2.479 1.00 0.54 C ATOM 436 O GLY A 60 5.112 -9.438 1.730 1.00 0.78 O ATOM 0 H GLY A 60 6.768 -8.919 0.046 1.00 0.43 H new ATOM 0 HA2 GLY A 60 8.027 -10.240 2.077 1.00 0.46 H new ATOM 0 HA3 GLY A 60 8.064 -8.563 2.588 1.00 0.46 H new ATOM 440 N THR A 61 5.962 -9.415 3.804 1.00 0.51 N ATOM 441 CA THR A 61 4.709 -9.556 4.570 1.00 0.51 C ATOM 442 C THR A 61 4.659 -8.565 5.744 1.00 0.50 C ATOM 443 O THR A 61 5.699 -8.041 6.164 1.00 0.53 O ATOM 444 CB THR A 61 4.558 -10.990 5.122 1.00 0.57 C ATOM 445 OG1 THR A 61 5.590 -11.277 6.030 1.00 0.69 O ATOM 446 CG2 THR A 61 4.609 -12.084 4.059 1.00 0.60 C ATOM 0 H THR A 61 6.774 -9.322 4.415 1.00 0.51 H new ATOM 0 HA THR A 61 3.890 -9.341 3.884 1.00 0.51 H new ATOM 0 HB THR A 61 3.572 -10.999 5.586 1.00 0.57 H new ATOM 0 HG1 THR A 61 5.249 -11.860 6.740 1.00 0.69 H new ATOM 0 HG21 THR A 61 4.495 -13.058 4.534 1.00 0.60 H new ATOM 0 HG22 THR A 61 3.802 -11.933 3.343 1.00 0.60 H new ATOM 0 HG23 THR A 61 5.567 -12.043 3.540 1.00 0.60 H new ATOM 454 N PRO A 62 3.469 -8.284 6.306 1.00 0.50 N ATOM 455 CA PRO A 62 3.332 -7.346 7.418 1.00 0.52 C ATOM 456 C PRO A 62 3.946 -7.837 8.740 1.00 0.64 C ATOM 457 O PRO A 62 4.344 -7.007 9.551 1.00 0.76 O ATOM 458 CB PRO A 62 1.826 -7.077 7.541 1.00 0.55 C ATOM 459 CG PRO A 62 1.183 -8.320 6.934 1.00 0.58 C ATOM 460 CD PRO A 62 2.158 -8.703 5.832 1.00 0.53 C ATOM 0 HA PRO A 62 3.897 -6.437 7.211 1.00 0.52 H new ATOM 0 HB2 PRO A 62 1.528 -6.940 8.580 1.00 0.55 H new ATOM 0 HB3 PRO A 62 1.536 -6.174 7.004 1.00 0.55 H new ATOM 0 HG2 PRO A 62 1.071 -9.117 7.669 1.00 0.58 H new ATOM 0 HG3 PRO A 62 0.189 -8.109 6.539 1.00 0.58 H new ATOM 0 HD2 PRO A 62 2.134 -9.776 5.643 1.00 0.53 H new ATOM 0 HD3 PRO A 62 1.904 -8.209 4.894 1.00 0.53 H new ATOM 468 N GLU A 63 4.059 -9.149 8.980 1.00 0.74 N ATOM 469 CA GLU A 63 4.576 -9.701 10.251 1.00 0.96 C ATOM 470 C GLU A 63 6.071 -10.057 10.273 1.00 0.98 C ATOM 471 O GLU A 63 6.592 -10.490 11.309 1.00 1.11 O ATOM 472 CB GLU A 63 3.697 -10.866 10.717 1.00 1.17 C ATOM 473 CG GLU A 63 3.861 -12.224 10.013 1.00 1.58 C ATOM 474 CD GLU A 63 3.533 -12.183 8.521 1.00 2.33 C ATOM 475 OE1 GLU A 63 2.519 -11.543 8.147 1.00 3.46 O ATOM 476 OE2 GLU A 63 4.311 -12.765 7.724 1.00 3.42 O ATOM 0 H GLU A 63 3.796 -9.864 8.301 1.00 0.74 H new ATOM 0 HA GLU A 63 4.511 -8.882 10.967 1.00 0.96 H new ATOM 0 HB2 GLU A 63 3.881 -11.018 11.781 1.00 1.17 H new ATOM 0 HB3 GLU A 63 2.656 -10.560 10.614 1.00 1.17 H new ATOM 0 HG2 GLU A 63 4.887 -12.569 10.142 1.00 1.58 H new ATOM 0 HG3 GLU A 63 3.215 -12.956 10.498 1.00 1.58 H new ATOM 483 N GLN A 64 6.762 -9.894 9.144 1.00 0.99 N ATOM 484 CA GLN A 64 8.186 -10.156 8.982 1.00 0.99 C ATOM 485 C GLN A 64 8.828 -9.050 8.127 1.00 1.05 C ATOM 486 O GLN A 64 8.519 -8.973 6.932 1.00 1.09 O ATOM 487 CB GLN A 64 8.352 -11.512 8.306 1.00 1.03 C ATOM 488 CG GLN A 64 8.043 -12.732 9.178 1.00 1.09 C ATOM 489 CD GLN A 64 7.973 -13.970 8.302 1.00 1.47 C ATOM 490 OE1 GLN A 64 8.970 -14.650 8.089 1.00 2.00 O ATOM 491 NE2 GLN A 64 6.836 -14.277 7.722 1.00 2.08 N ATOM 0 H GLN A 64 6.324 -9.562 8.285 1.00 0.99 H new ATOM 0 HA GLN A 64 8.680 -10.166 9.954 1.00 0.99 H new ATOM 0 HB2 GLN A 64 7.705 -11.542 7.429 1.00 1.03 H new ATOM 0 HB3 GLN A 64 9.378 -11.595 7.948 1.00 1.03 H new ATOM 0 HG2 GLN A 64 8.814 -12.854 9.939 1.00 1.09 H new ATOM 0 HG3 GLN A 64 7.098 -12.589 9.702 1.00 1.09 H new ATOM 0 HE21 GLN A 64 6.005 -13.712 7.898 1.00 2.08 H new ATOM 0 HE22 GLN A 64 6.784 -15.080 7.095 1.00 2.08 H new ATOM 500 N PRO A 65 9.727 -8.210 8.679 1.00 1.27 N ATOM 501 CA PRO A 65 10.384 -7.132 7.940 1.00 1.34 C ATOM 502 C PRO A 65 11.421 -7.689 6.956 1.00 1.13 C ATOM 503 O PRO A 65 12.623 -7.745 7.227 1.00 1.34 O ATOM 504 CB PRO A 65 10.950 -6.194 9.010 1.00 1.64 C ATOM 505 CG PRO A 65 11.241 -7.129 10.180 1.00 1.84 C ATOM 506 CD PRO A 65 10.126 -8.169 10.081 1.00 1.57 C ATOM 0 HA PRO A 65 9.702 -6.575 7.297 1.00 1.34 H new ATOM 0 HB2 PRO A 65 11.852 -5.689 8.665 1.00 1.64 H new ATOM 0 HB3 PRO A 65 10.235 -5.418 9.284 1.00 1.64 H new ATOM 0 HG2 PRO A 65 12.227 -7.586 10.095 1.00 1.84 H new ATOM 0 HG3 PRO A 65 11.216 -6.601 11.133 1.00 1.84 H new ATOM 0 HD2 PRO A 65 10.475 -9.146 10.414 1.00 1.57 H new ATOM 0 HD3 PRO A 65 9.284 -7.897 10.717 1.00 1.57 H new ATOM 514 N GLN A 66 10.906 -8.078 5.788 1.00 0.86 N ATOM 515 CA GLN A 66 11.585 -8.490 4.549 1.00 0.63 C ATOM 516 C GLN A 66 12.945 -7.810 4.325 1.00 0.72 C ATOM 517 O GLN A 66 13.955 -8.444 4.033 1.00 0.88 O ATOM 518 CB GLN A 66 10.685 -8.101 3.363 1.00 0.55 C ATOM 519 CG GLN A 66 9.893 -6.800 3.575 1.00 1.25 C ATOM 520 CD GLN A 66 9.569 -6.013 2.317 1.00 0.78 C ATOM 521 OE1 GLN A 66 8.533 -6.180 1.717 1.00 1.69 O ATOM 522 NE2 GLN A 66 10.329 -5.004 1.956 1.00 0.89 N ATOM 0 H GLN A 66 9.894 -8.118 5.670 1.00 0.86 H new ATOM 0 HA GLN A 66 11.762 -9.562 4.631 1.00 0.63 H new ATOM 0 HB2 GLN A 66 11.303 -7.996 2.471 1.00 0.55 H new ATOM 0 HB3 GLN A 66 9.984 -8.913 3.171 1.00 0.55 H new ATOM 0 HG2 GLN A 66 8.958 -7.044 4.080 1.00 1.25 H new ATOM 0 HG3 GLN A 66 10.460 -6.157 4.248 1.00 1.25 H new ATOM 0 HE21 GLN A 66 11.211 -4.831 2.439 1.00 0.89 H new ATOM 0 HE22 GLN A 66 10.037 -4.393 1.193 1.00 0.89 H new ATOM 531 N CYS A 67 12.926 -6.481 4.407 1.00 0.73 N ATOM 532 CA CYS A 67 13.995 -5.562 4.043 1.00 0.85 C ATOM 533 C CYS A 67 13.764 -4.249 4.823 1.00 0.91 C ATOM 534 O CYS A 67 12.966 -4.222 5.767 1.00 1.58 O ATOM 535 CB CYS A 67 13.911 -5.390 2.508 1.00 0.96 C ATOM 536 SG CYS A 67 15.457 -4.731 1.841 1.00 1.38 S ATOM 0 H CYS A 67 12.104 -5.987 4.754 1.00 0.73 H new ATOM 0 HA CYS A 67 14.995 -5.914 4.296 1.00 0.85 H new ATOM 0 HB2 CYS A 67 13.691 -6.351 2.043 1.00 0.96 H new ATOM 0 HB3 CYS A 67 13.089 -4.719 2.259 1.00 0.96 H new ATOM 0 HG CYS A 67 15.353 -4.601 0.552 1.00 1.38 H new ATOM 542 N GLY A 68 14.359 -3.138 4.386 1.00 1.10 N ATOM 543 CA GLY A 68 13.874 -1.805 4.760 1.00 1.21 C ATOM 544 C GLY A 68 12.427 -1.550 4.302 1.00 1.24 C ATOM 545 O GLY A 68 11.838 -2.352 3.567 1.00 2.05 O ATOM 0 H GLY A 68 15.175 -3.133 3.774 1.00 1.10 H new ATOM 0 HA2 GLY A 68 13.934 -1.692 5.842 1.00 1.21 H new ATOM 0 HA3 GLY A 68 14.527 -1.049 4.324 1.00 1.21 H new ATOM 549 N PHE A 69 11.876 -0.404 4.708 1.00 1.05 N ATOM 550 CA PHE A 69 10.564 0.167 4.347 1.00 0.89 C ATOM 551 C PHE A 69 9.301 -0.587 4.822 1.00 0.72 C ATOM 552 O PHE A 69 8.282 0.041 5.109 1.00 0.74 O ATOM 553 CB PHE A 69 10.472 0.377 2.827 1.00 1.33 C ATOM 554 CG PHE A 69 11.334 1.423 2.141 1.00 0.92 C ATOM 555 CD1 PHE A 69 12.614 1.830 2.572 1.00 1.71 C ATOM 556 CD2 PHE A 69 10.804 1.988 0.977 1.00 2.42 C ATOM 557 CE1 PHE A 69 13.331 2.789 1.831 1.00 1.85 C ATOM 558 CE2 PHE A 69 11.476 2.987 0.275 1.00 2.69 C ATOM 559 CZ PHE A 69 12.768 3.369 0.678 1.00 1.64 C ATOM 0 H PHE A 69 12.376 0.206 5.355 1.00 1.05 H new ATOM 0 HA PHE A 69 10.549 1.105 4.902 1.00 0.89 H new ATOM 0 HB2 PHE A 69 10.692 -0.581 2.356 1.00 1.33 H new ATOM 0 HB3 PHE A 69 9.433 0.614 2.597 1.00 1.33 H new ATOM 0 HD1 PHE A 69 13.043 1.407 3.468 1.00 1.71 H new ATOM 0 HD2 PHE A 69 9.849 1.641 0.612 1.00 2.42 H new ATOM 0 HE1 PHE A 69 14.321 3.082 2.150 1.00 1.85 H new ATOM 0 HE2 PHE A 69 11.008 3.465 -0.573 1.00 2.69 H new ATOM 0 HZ PHE A 69 13.323 4.100 0.109 1.00 1.64 H new ATOM 569 N SER A 70 9.315 -1.920 4.851 1.00 0.78 N ATOM 570 CA SER A 70 8.098 -2.750 4.920 1.00 0.74 C ATOM 571 C SER A 70 7.273 -2.582 6.189 1.00 0.69 C ATOM 572 O SER A 70 6.049 -2.686 6.158 1.00 0.68 O ATOM 573 CB SER A 70 8.501 -4.215 4.786 1.00 0.86 C ATOM 574 OG SER A 70 9.014 -4.774 5.977 1.00 1.93 O ATOM 0 H SER A 70 10.177 -2.465 4.827 1.00 0.78 H new ATOM 0 HA SER A 70 7.458 -2.414 4.104 1.00 0.74 H new ATOM 0 HB2 SER A 70 7.634 -4.794 4.468 1.00 0.86 H new ATOM 0 HB3 SER A 70 9.251 -4.306 4.000 1.00 0.86 H new ATOM 0 HG SER A 70 9.993 -4.792 5.935 1.00 1.93 H new ATOM 580 N ASN A 71 7.940 -2.335 7.314 1.00 0.69 N ATOM 581 CA ASN A 71 7.276 -2.179 8.595 1.00 0.58 C ATOM 582 C ASN A 71 6.801 -0.736 8.791 1.00 0.58 C ATOM 583 O ASN A 71 5.730 -0.544 9.352 1.00 0.52 O ATOM 584 CB ASN A 71 8.229 -2.694 9.687 1.00 0.59 C ATOM 585 CG ASN A 71 7.541 -3.504 10.771 1.00 1.76 C ATOM 586 OD1 ASN A 71 7.681 -3.222 11.955 1.00 2.89 O ATOM 587 ND2 ASN A 71 6.859 -4.570 10.425 1.00 3.34 N ATOM 0 H ASN A 71 8.954 -2.238 7.358 1.00 0.69 H new ATOM 0 HA ASN A 71 6.364 -2.773 8.648 1.00 0.58 H new ATOM 0 HB2 ASN A 71 9.000 -3.308 9.222 1.00 0.59 H new ATOM 0 HB3 ASN A 71 8.733 -1.844 10.147 1.00 0.59 H new ATOM 0 HD21 ASN A 71 6.444 -5.165 11.142 1.00 3.34 H new ATOM 0 HD22 ASN A 71 6.743 -4.804 9.439 1.00 3.34 H new ATOM 594 N ALA A 72 7.501 0.269 8.252 1.00 0.65 N ATOM 595 CA ALA A 72 7.055 1.666 8.318 1.00 0.64 C ATOM 596 C ALA A 72 5.662 1.846 7.711 1.00 0.52 C ATOM 597 O ALA A 72 4.786 2.439 8.339 1.00 0.54 O ATOM 598 CB ALA A 72 8.096 2.575 7.650 1.00 0.79 C ATOM 0 H ALA A 72 8.386 0.139 7.761 1.00 0.65 H new ATOM 0 HA ALA A 72 6.969 1.955 9.366 1.00 0.64 H new ATOM 0 HB1 ALA A 72 7.761 3.611 7.701 1.00 0.79 H new ATOM 0 HB2 ALA A 72 9.050 2.476 8.167 1.00 0.79 H new ATOM 0 HB3 ALA A 72 8.217 2.284 6.607 1.00 0.79 H new ATOM 604 N VAL A 73 5.403 1.255 6.543 1.00 0.50 N ATOM 605 CA VAL A 73 4.105 1.328 5.897 1.00 0.46 C ATOM 606 C VAL A 73 3.004 0.601 6.672 1.00 0.38 C ATOM 607 O VAL A 73 1.884 1.098 6.766 1.00 0.34 O ATOM 608 CB VAL A 73 4.238 0.818 4.456 1.00 0.58 C ATOM 609 CG1 VAL A 73 5.037 1.804 3.599 1.00 0.71 C ATOM 610 CG2 VAL A 73 4.902 -0.538 4.327 1.00 0.66 C ATOM 0 H VAL A 73 6.093 0.713 6.023 1.00 0.50 H new ATOM 0 HA VAL A 73 3.787 2.371 5.882 1.00 0.46 H new ATOM 0 HB VAL A 73 3.209 0.722 4.109 1.00 0.58 H new ATOM 0 HG11 VAL A 73 5.117 1.420 2.582 1.00 0.71 H new ATOM 0 HG12 VAL A 73 4.528 2.768 3.584 1.00 0.71 H new ATOM 0 HG13 VAL A 73 6.035 1.927 4.020 1.00 0.71 H new ATOM 0 HG21 VAL A 73 4.954 -0.819 3.275 1.00 0.66 H new ATOM 0 HG22 VAL A 73 5.910 -0.490 4.740 1.00 0.66 H new ATOM 0 HG23 VAL A 73 4.321 -1.281 4.873 1.00 0.66 H new ATOM 620 N VAL A 74 3.324 -0.544 7.276 1.00 0.39 N ATOM 621 CA VAL A 74 2.374 -1.394 8.012 1.00 0.40 C ATOM 622 C VAL A 74 2.047 -0.828 9.393 1.00 0.36 C ATOM 623 O VAL A 74 0.877 -0.790 9.775 1.00 0.44 O ATOM 624 CB VAL A 74 2.931 -2.824 8.081 1.00 0.49 C ATOM 625 CG1 VAL A 74 2.253 -3.710 9.133 1.00 0.57 C ATOM 626 CG2 VAL A 74 2.775 -3.455 6.689 1.00 0.57 C ATOM 0 H VAL A 74 4.272 -0.919 7.270 1.00 0.39 H new ATOM 0 HA VAL A 74 1.425 -1.414 7.476 1.00 0.40 H new ATOM 0 HB VAL A 74 3.975 -2.758 8.386 1.00 0.49 H new ATOM 0 HG11 VAL A 74 2.703 -4.702 9.118 1.00 0.57 H new ATOM 0 HG12 VAL A 74 2.384 -3.267 10.120 1.00 0.57 H new ATOM 0 HG13 VAL A 74 1.189 -3.791 8.910 1.00 0.57 H new ATOM 0 HG21 VAL A 74 3.163 -4.474 6.706 1.00 0.57 H new ATOM 0 HG22 VAL A 74 1.721 -3.472 6.414 1.00 0.57 H new ATOM 0 HG23 VAL A 74 3.331 -2.867 5.959 1.00 0.57 H new ATOM 636 N GLN A 75 3.053 -0.324 10.110 1.00 0.37 N ATOM 637 CA GLN A 75 2.853 0.381 11.370 1.00 0.56 C ATOM 638 C GLN A 75 2.058 1.667 11.137 1.00 0.45 C ATOM 639 O GLN A 75 1.077 1.875 11.845 1.00 0.48 O ATOM 640 CB GLN A 75 4.179 0.589 12.122 1.00 0.93 C ATOM 641 CG GLN A 75 4.890 -0.726 12.518 1.00 1.10 C ATOM 642 CD GLN A 75 3.976 -1.790 13.121 1.00 1.98 C ATOM 643 OE1 GLN A 75 3.566 -2.749 12.485 1.00 3.88 O ATOM 644 NE2 GLN A 75 3.579 -1.662 14.361 1.00 1.36 N ATOM 0 H GLN A 75 4.031 -0.395 9.829 1.00 0.37 H new ATOM 0 HA GLN A 75 2.250 -0.238 12.034 1.00 0.56 H new ATOM 0 HB2 GLN A 75 4.850 1.179 11.498 1.00 0.93 H new ATOM 0 HB3 GLN A 75 3.986 1.172 13.023 1.00 0.93 H new ATOM 0 HG2 GLN A 75 5.374 -1.141 11.634 1.00 1.10 H new ATOM 0 HG3 GLN A 75 5.678 -0.495 13.235 1.00 1.10 H new ATOM 0 HE21 GLN A 75 3.902 -0.873 14.921 1.00 1.36 H new ATOM 0 HE22 GLN A 75 2.947 -2.351 14.768 1.00 1.36 H new ATOM 653 N ILE A 76 2.346 2.460 10.094 1.00 0.42 N ATOM 654 CA ILE A 76 1.526 3.650 9.783 1.00 0.40 C ATOM 655 C ILE A 76 0.057 3.266 9.554 1.00 0.31 C ATOM 656 O ILE A 76 -0.840 3.902 10.111 1.00 0.31 O ATOM 657 CB ILE A 76 2.123 4.423 8.581 1.00 0.44 C ATOM 658 CG1 ILE A 76 3.359 5.212 9.064 1.00 0.52 C ATOM 659 CG2 ILE A 76 1.108 5.379 7.919 1.00 0.42 C ATOM 660 CD1 ILE A 76 4.212 5.785 7.929 1.00 0.60 C ATOM 0 H ILE A 76 3.128 2.306 9.457 1.00 0.42 H new ATOM 0 HA ILE A 76 1.546 4.319 10.643 1.00 0.40 H new ATOM 0 HB ILE A 76 2.403 3.695 7.820 1.00 0.44 H new ATOM 0 HG12 ILE A 76 3.028 6.029 9.705 1.00 0.52 H new ATOM 0 HG13 ILE A 76 3.979 4.557 9.676 1.00 0.52 H new ATOM 0 HG21 ILE A 76 1.583 5.893 7.083 1.00 0.42 H new ATOM 0 HG22 ILE A 76 0.254 4.808 7.555 1.00 0.42 H new ATOM 0 HG23 ILE A 76 0.769 6.113 8.650 1.00 0.42 H new ATOM 0 HD11 ILE A 76 5.061 6.325 8.349 1.00 0.60 H new ATOM 0 HD12 ILE A 76 4.574 4.972 7.300 1.00 0.60 H new ATOM 0 HD13 ILE A 76 3.609 6.467 7.329 1.00 0.60 H new ATOM 672 N LEU A 77 -0.197 2.203 8.785 1.00 0.25 N ATOM 673 CA LEU A 77 -1.553 1.717 8.525 1.00 0.27 C ATOM 674 C LEU A 77 -2.277 1.286 9.815 1.00 0.33 C ATOM 675 O LEU A 77 -3.342 1.837 10.113 1.00 0.38 O ATOM 676 CB LEU A 77 -1.502 0.620 7.444 1.00 0.38 C ATOM 677 CG LEU A 77 -1.257 1.178 6.029 1.00 0.45 C ATOM 678 CD1 LEU A 77 -0.876 0.053 5.065 1.00 0.54 C ATOM 679 CD2 LEU A 77 -2.515 1.857 5.477 1.00 0.57 C ATOM 0 H LEU A 77 0.532 1.656 8.326 1.00 0.25 H new ATOM 0 HA LEU A 77 -2.160 2.535 8.137 1.00 0.27 H new ATOM 0 HB2 LEU A 77 -0.711 -0.089 7.691 1.00 0.38 H new ATOM 0 HB3 LEU A 77 -2.441 0.066 7.452 1.00 0.38 H new ATOM 0 HG LEU A 77 -0.447 1.903 6.109 1.00 0.45 H new ATOM 0 HD11 LEU A 77 -0.707 0.467 4.071 1.00 0.54 H new ATOM 0 HD12 LEU A 77 0.035 -0.433 5.415 1.00 0.54 H new ATOM 0 HD13 LEU A 77 -1.684 -0.678 5.021 1.00 0.54 H new ATOM 0 HD21 LEU A 77 -2.312 2.241 4.477 1.00 0.57 H new ATOM 0 HD22 LEU A 77 -3.328 1.133 5.429 1.00 0.57 H new ATOM 0 HD23 LEU A 77 -2.801 2.681 6.131 1.00 0.57 H new ATOM 691 N ARG A 78 -1.714 0.390 10.639 1.00 0.39 N ATOM 692 CA ARG A 78 -2.352 -0.058 11.872 1.00 0.57 C ATOM 693 C ARG A 78 -2.454 1.005 12.969 1.00 0.55 C ATOM 694 O ARG A 78 -3.404 0.963 13.748 1.00 0.61 O ATOM 695 CB ARG A 78 -1.672 -1.349 12.321 1.00 0.80 C ATOM 696 CG ARG A 78 -0.395 -1.165 13.152 1.00 0.92 C ATOM 697 CD ARG A 78 0.115 -2.494 13.722 1.00 1.28 C ATOM 698 NE ARG A 78 -0.757 -3.027 14.789 1.00 2.23 N ATOM 699 CZ ARG A 78 -1.681 -3.969 14.687 1.00 3.52 C ATOM 700 NH1 ARG A 78 -1.927 -4.620 13.583 1.00 4.56 N ATOM 701 NH2 ARG A 78 -2.399 -4.271 15.726 1.00 4.52 N ATOM 0 H ARG A 78 -0.806 -0.040 10.464 1.00 0.39 H new ATOM 0 HA ARG A 78 -3.402 -0.258 11.659 1.00 0.57 H new ATOM 0 HB2 ARG A 78 -2.385 -1.931 12.905 1.00 0.80 H new ATOM 0 HB3 ARG A 78 -1.428 -1.938 11.437 1.00 0.80 H new ATOM 0 HG2 ARG A 78 0.380 -0.715 12.531 1.00 0.92 H new ATOM 0 HG3 ARG A 78 -0.591 -0.471 13.969 1.00 0.92 H new ATOM 0 HD2 ARG A 78 0.187 -3.226 12.918 1.00 1.28 H new ATOM 0 HD3 ARG A 78 1.121 -2.353 14.117 1.00 1.28 H new ATOM 0 HE ARG A 78 -0.632 -2.620 15.716 1.00 2.23 H new ATOM 0 HH11 ARG A 78 -1.394 -4.412 12.739 1.00 4.56 H new ATOM 0 HH12 ARG A 78 -2.652 -5.337 13.564 1.00 4.56 H new ATOM 0 HH21 ARG A 78 -2.248 -3.784 16.609 1.00 4.52 H new ATOM 0 HH22 ARG A 78 -3.114 -4.995 15.659 1.00 4.52 H new ATOM 715 N LEU A 79 -1.561 1.998 13.010 1.00 0.50 N ATOM 716 CA LEU A 79 -1.687 3.174 13.876 1.00 0.56 C ATOM 717 C LEU A 79 -2.920 4.008 13.498 1.00 0.51 C ATOM 718 O LEU A 79 -3.649 4.466 14.379 1.00 0.60 O ATOM 719 CB LEU A 79 -0.408 4.015 13.743 1.00 0.58 C ATOM 720 CG LEU A 79 0.834 3.432 14.445 1.00 0.70 C ATOM 721 CD1 LEU A 79 2.057 4.229 13.987 1.00 0.73 C ATOM 722 CD2 LEU A 79 0.739 3.547 15.968 1.00 0.83 C ATOM 0 H LEU A 79 -0.719 2.008 12.435 1.00 0.50 H new ATOM 0 HA LEU A 79 -1.816 2.852 14.909 1.00 0.56 H new ATOM 0 HB2 LEU A 79 -0.182 4.140 12.684 1.00 0.58 H new ATOM 0 HB3 LEU A 79 -0.602 5.009 14.147 1.00 0.58 H new ATOM 0 HG LEU A 79 0.908 2.376 14.185 1.00 0.70 H new ATOM 0 HD11 LEU A 79 2.950 3.835 14.471 1.00 0.73 H new ATOM 0 HD12 LEU A 79 2.163 4.144 12.905 1.00 0.73 H new ATOM 0 HD13 LEU A 79 1.930 5.277 14.258 1.00 0.73 H new ATOM 0 HD21 LEU A 79 1.635 3.124 16.421 1.00 0.83 H new ATOM 0 HD22 LEU A 79 0.651 4.597 16.249 1.00 0.83 H new ATOM 0 HD23 LEU A 79 -0.137 3.003 16.320 1.00 0.83 H new ATOM 734 N HIS A 80 -3.211 4.117 12.198 1.00 0.39 N ATOM 735 CA HIS A 80 -4.465 4.655 11.664 1.00 0.37 C ATOM 736 C HIS A 80 -5.673 3.704 11.810 1.00 0.42 C ATOM 737 O HIS A 80 -6.785 4.063 11.418 1.00 0.44 O ATOM 738 CB HIS A 80 -4.229 5.095 10.208 1.00 0.28 C ATOM 739 CG HIS A 80 -3.632 6.475 10.112 1.00 0.30 C ATOM 740 ND1 HIS A 80 -4.326 7.632 10.337 1.00 0.32 N ATOM 741 CD2 HIS A 80 -2.339 6.836 9.833 1.00 0.38 C ATOM 742 CE1 HIS A 80 -3.498 8.670 10.194 1.00 0.39 C ATOM 743 NE2 HIS A 80 -2.264 8.241 9.862 1.00 0.45 N ATOM 0 H HIS A 80 -2.562 3.825 11.468 1.00 0.39 H new ATOM 0 HA HIS A 80 -4.746 5.518 12.267 1.00 0.37 H new ATOM 0 HB2 HIS A 80 -3.566 4.381 9.719 1.00 0.28 H new ATOM 0 HB3 HIS A 80 -5.175 5.074 9.667 1.00 0.28 H new ATOM 0 HD2 HIS A 80 -1.522 6.161 9.627 1.00 0.38 H new ATOM 0 HE1 HIS A 80 -3.777 9.705 10.326 1.00 0.39 H new ATOM 0 HE2 HIS A 80 -1.444 8.817 9.671 1.00 0.45 H new ATOM 751 N GLY A 81 -5.506 2.521 12.409 1.00 0.48 N ATOM 752 CA GLY A 81 -6.577 1.541 12.619 1.00 0.58 C ATOM 753 C GLY A 81 -6.809 0.582 11.441 1.00 0.60 C ATOM 754 O GLY A 81 -7.847 -0.083 11.383 1.00 0.81 O ATOM 0 H GLY A 81 -4.603 2.211 12.769 1.00 0.48 H new ATOM 0 HA2 GLY A 81 -6.345 0.954 13.508 1.00 0.58 H new ATOM 0 HA3 GLY A 81 -7.505 2.075 12.823 1.00 0.58 H new ATOM 758 N VAL A 82 -5.884 0.526 10.476 1.00 0.49 N ATOM 759 CA VAL A 82 -6.012 -0.249 9.234 1.00 0.51 C ATOM 760 C VAL A 82 -5.010 -1.403 9.221 1.00 0.53 C ATOM 761 O VAL A 82 -3.811 -1.200 9.064 1.00 0.69 O ATOM 762 CB VAL A 82 -5.860 0.659 7.997 1.00 0.46 C ATOM 763 CG1 VAL A 82 -6.206 -0.117 6.719 1.00 0.49 C ATOM 764 CG2 VAL A 82 -6.777 1.892 8.062 1.00 0.47 C ATOM 0 H VAL A 82 -5.001 1.032 10.538 1.00 0.49 H new ATOM 0 HA VAL A 82 -7.013 -0.679 9.193 1.00 0.51 H new ATOM 0 HB VAL A 82 -4.821 0.989 7.984 1.00 0.46 H new ATOM 0 HG11 VAL A 82 -6.094 0.537 5.854 1.00 0.49 H new ATOM 0 HG12 VAL A 82 -5.535 -0.970 6.618 1.00 0.49 H new ATOM 0 HG13 VAL A 82 -7.236 -0.471 6.775 1.00 0.49 H new ATOM 0 HG21 VAL A 82 -6.633 2.500 7.169 1.00 0.47 H new ATOM 0 HG22 VAL A 82 -7.817 1.570 8.118 1.00 0.47 H new ATOM 0 HG23 VAL A 82 -6.532 2.482 8.945 1.00 0.47 H new ATOM 774 N ARG A 83 -5.504 -2.637 9.333 1.00 0.51 N ATOM 775 CA ARG A 83 -4.715 -3.884 9.285 1.00 0.69 C ATOM 776 C ARG A 83 -5.284 -4.888 8.280 1.00 0.76 C ATOM 777 O ARG A 83 -4.766 -5.973 8.035 1.00 0.90 O ATOM 778 CB ARG A 83 -4.534 -4.463 10.692 1.00 0.97 C ATOM 779 CG ARG A 83 -5.747 -4.380 11.623 1.00 1.11 C ATOM 780 CD ARG A 83 -6.959 -5.195 11.155 1.00 1.68 C ATOM 781 NE ARG A 83 -8.041 -5.177 12.154 1.00 1.95 N ATOM 782 CZ ARG A 83 -9.078 -4.363 12.231 1.00 2.81 C ATOM 783 NH1 ARG A 83 -9.331 -3.426 11.363 1.00 3.65 N ATOM 784 NH2 ARG A 83 -9.904 -4.507 13.223 1.00 3.44 N ATOM 0 H ARG A 83 -6.501 -2.809 9.465 1.00 0.51 H new ATOM 0 HA ARG A 83 -3.719 -3.645 8.913 1.00 0.69 H new ATOM 0 HB2 ARG A 83 -4.248 -5.510 10.596 1.00 0.97 H new ATOM 0 HB3 ARG A 83 -3.701 -3.947 11.169 1.00 0.97 H new ATOM 0 HG2 ARG A 83 -5.453 -4.724 12.615 1.00 1.11 H new ATOM 0 HG3 ARG A 83 -6.043 -3.336 11.723 1.00 1.11 H new ATOM 0 HD2 ARG A 83 -7.327 -4.792 10.211 1.00 1.68 H new ATOM 0 HD3 ARG A 83 -6.655 -6.224 10.965 1.00 1.68 H new ATOM 0 HE ARG A 83 -7.981 -5.888 12.883 1.00 1.95 H new ATOM 0 HH11 ARG A 83 -8.710 -3.288 10.566 1.00 3.65 H new ATOM 0 HH12 ARG A 83 -10.150 -2.830 11.480 1.00 3.65 H new ATOM 0 HH21 ARG A 83 -9.743 -5.235 13.919 1.00 3.44 H new ATOM 0 HH22 ARG A 83 -10.713 -3.892 13.306 1.00 3.44 H new ATOM 798 N ASP A 84 -6.387 -4.457 7.692 1.00 0.75 N ATOM 799 CA ASP A 84 -7.363 -5.121 6.875 1.00 0.73 C ATOM 800 C ASP A 84 -7.237 -4.688 5.398 1.00 0.46 C ATOM 801 O ASP A 84 -8.206 -4.698 4.635 1.00 0.51 O ATOM 802 CB ASP A 84 -8.711 -4.872 7.567 1.00 1.11 C ATOM 803 CG ASP A 84 -9.048 -3.408 7.867 1.00 2.27 C ATOM 804 OD1 ASP A 84 -8.387 -2.807 8.753 1.00 3.73 O ATOM 805 OD2 ASP A 84 -9.996 -2.874 7.245 1.00 3.18 O ATOM 0 H ASP A 84 -6.647 -3.477 7.803 1.00 0.75 H new ATOM 0 HA ASP A 84 -7.224 -6.200 6.800 1.00 0.73 H new ATOM 0 HB2 ASP A 84 -9.501 -5.286 6.940 1.00 1.11 H new ATOM 0 HB3 ASP A 84 -8.724 -5.427 8.505 1.00 1.11 H new ATOM 810 N TYR A 85 -6.008 -4.321 5.006 1.00 0.40 N ATOM 811 CA TYR A 85 -5.545 -4.339 3.622 1.00 0.39 C ATOM 812 C TYR A 85 -5.427 -5.787 3.129 1.00 0.41 C ATOM 813 O TYR A 85 -5.399 -6.729 3.927 1.00 0.44 O ATOM 814 CB TYR A 85 -4.119 -3.714 3.519 1.00 0.45 C ATOM 815 CG TYR A 85 -3.194 -4.091 4.660 1.00 0.48 C ATOM 816 CD1 TYR A 85 -2.680 -5.395 4.681 1.00 1.74 C ATOM 817 CD2 TYR A 85 -2.939 -3.214 5.737 1.00 1.76 C ATOM 818 CE1 TYR A 85 -1.988 -5.864 5.816 1.00 1.69 C ATOM 819 CE2 TYR A 85 -2.170 -3.652 6.832 1.00 1.83 C ATOM 820 CZ TYR A 85 -1.736 -4.993 6.900 1.00 0.54 C ATOM 821 OH TYR A 85 -1.133 -5.440 8.033 1.00 0.61 O ATOM 0 H TYR A 85 -5.297 -3.997 5.662 1.00 0.40 H new ATOM 0 HA TYR A 85 -6.261 -3.774 3.025 1.00 0.39 H new ATOM 0 HB2 TYR A 85 -3.664 -4.026 2.579 1.00 0.45 H new ATOM 0 HB3 TYR A 85 -4.211 -2.628 3.484 1.00 0.45 H new ATOM 0 HD1 TYR A 85 -2.814 -6.041 3.826 1.00 1.74 H new ATOM 0 HD2 TYR A 85 -3.333 -2.209 5.721 1.00 1.76 H new ATOM 0 HE1 TYR A 85 -1.650 -6.889 5.857 1.00 1.69 H new ATOM 0 HE2 TYR A 85 -1.912 -2.961 7.621 1.00 1.83 H new ATOM 0 HH TYR A 85 -1.041 -4.700 8.669 1.00 0.61 H new ATOM 831 N ALA A 86 -5.222 -5.951 1.823 1.00 0.40 N ATOM 832 CA ALA A 86 -4.621 -7.164 1.280 1.00 0.36 C ATOM 833 C ALA A 86 -3.152 -6.873 0.962 1.00 0.37 C ATOM 834 O ALA A 86 -2.869 -6.037 0.103 1.00 0.43 O ATOM 835 CB ALA A 86 -5.437 -7.612 0.070 1.00 0.37 C ATOM 0 H ALA A 86 -5.466 -5.254 1.119 1.00 0.40 H new ATOM 0 HA ALA A 86 -4.636 -7.989 1.992 1.00 0.36 H new ATOM 0 HB1 ALA A 86 -5.000 -8.519 -0.348 1.00 0.37 H new ATOM 0 HB2 ALA A 86 -6.463 -7.812 0.377 1.00 0.37 H new ATOM 0 HB3 ALA A 86 -5.431 -6.825 -0.684 1.00 0.37 H new ATOM 841 N ALA A 87 -2.220 -7.488 1.696 1.00 0.33 N ATOM 842 CA ALA A 87 -0.792 -7.257 1.505 1.00 0.33 C ATOM 843 C ALA A 87 -0.242 -8.267 0.459 1.00 0.32 C ATOM 844 O ALA A 87 -0.116 -9.463 0.739 1.00 0.39 O ATOM 845 CB ALA A 87 -0.061 -7.406 2.851 1.00 0.35 C ATOM 0 H ALA A 87 -2.437 -8.157 2.435 1.00 0.33 H new ATOM 0 HA ALA A 87 -0.625 -6.246 1.133 1.00 0.33 H new ATOM 0 HB1 ALA A 87 1.006 -7.233 2.707 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -0.454 -6.678 3.561 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -0.216 -8.412 3.240 1.00 0.35 H new ATOM 851 N TYR A 88 0.101 -7.811 -0.740 1.00 0.31 N ATOM 852 CA TYR A 88 0.753 -8.560 -1.818 1.00 0.34 C ATOM 853 C TYR A 88 2.254 -8.692 -1.581 1.00 0.29 C ATOM 854 O TYR A 88 2.963 -7.680 -1.558 1.00 0.29 O ATOM 855 CB TYR A 88 0.506 -7.834 -3.149 1.00 0.44 C ATOM 856 CG TYR A 88 -0.942 -7.829 -3.593 1.00 0.61 C ATOM 857 CD1 TYR A 88 -1.464 -8.965 -4.235 1.00 1.67 C ATOM 858 CD2 TYR A 88 -1.751 -6.691 -3.396 1.00 2.16 C ATOM 859 CE1 TYR A 88 -2.797 -8.968 -4.675 1.00 1.66 C ATOM 860 CE2 TYR A 88 -3.083 -6.678 -3.858 1.00 2.39 C ATOM 861 CZ TYR A 88 -3.616 -7.836 -4.465 1.00 1.14 C ATOM 862 OH TYR A 88 -4.909 -7.871 -4.874 1.00 1.43 O ATOM 0 H TYR A 88 -0.079 -6.843 -1.007 1.00 0.31 H new ATOM 0 HA TYR A 88 0.330 -9.564 -1.845 1.00 0.34 H new ATOM 0 HB2 TYR A 88 0.850 -6.804 -3.058 1.00 0.44 H new ATOM 0 HB3 TYR A 88 1.111 -8.304 -3.924 1.00 0.44 H new ATOM 0 HD1 TYR A 88 -0.841 -9.834 -4.389 1.00 1.67 H new ATOM 0 HD2 TYR A 88 -1.349 -5.826 -2.889 1.00 2.16 H new ATOM 0 HE1 TYR A 88 -3.197 -9.837 -5.175 1.00 1.66 H new ATOM 0 HE2 TYR A 88 -3.690 -5.791 -3.749 1.00 2.39 H new ATOM 0 HH TYR A 88 -5.116 -7.054 -5.373 1.00 1.43 H new ATOM 872 N ASN A 89 2.742 -9.934 -1.467 1.00 0.37 N ATOM 873 CA ASN A 89 4.139 -10.245 -1.444 1.00 0.43 C ATOM 874 C ASN A 89 4.711 -10.460 -2.858 1.00 0.49 C ATOM 875 O ASN A 89 4.537 -11.521 -3.466 1.00 0.65 O ATOM 876 CB ASN A 89 4.286 -11.478 -0.559 1.00 0.59 C ATOM 877 CG ASN A 89 5.730 -11.699 -0.234 1.00 1.20 C ATOM 878 OD1 ASN A 89 6.639 -11.299 -0.943 1.00 2.30 O ATOM 879 ND2 ASN A 89 5.991 -12.322 0.873 1.00 1.06 N ATOM 0 H ASN A 89 2.144 -10.757 -1.387 1.00 0.37 H new ATOM 0 HA ASN A 89 4.717 -9.413 -1.042 1.00 0.43 H new ATOM 0 HB2 ASN A 89 3.713 -11.349 0.359 1.00 0.59 H new ATOM 0 HB3 ASN A 89 3.880 -12.353 -1.068 1.00 0.59 H new ATOM 0 HD21 ASN A 89 6.959 -12.479 1.154 1.00 1.06 H new ATOM 0 HD22 ASN A 89 5.228 -12.655 1.463 1.00 1.06 H new ATOM 886 N VAL A 90 5.455 -9.478 -3.366 1.00 0.47 N ATOM 887 CA VAL A 90 6.062 -9.546 -4.714 1.00 0.60 C ATOM 888 C VAL A 90 7.370 -10.370 -4.792 1.00 0.78 C ATOM 889 O VAL A 90 8.113 -10.274 -5.769 1.00 1.21 O ATOM 890 CB VAL A 90 6.169 -8.161 -5.382 1.00 0.55 C ATOM 891 CG1 VAL A 90 4.822 -7.423 -5.347 1.00 0.49 C ATOM 892 CG2 VAL A 90 7.235 -7.275 -4.738 1.00 0.57 C ATOM 0 H VAL A 90 5.659 -8.613 -2.865 1.00 0.47 H new ATOM 0 HA VAL A 90 5.356 -10.123 -5.312 1.00 0.60 H new ATOM 0 HB VAL A 90 6.462 -8.351 -6.415 1.00 0.55 H new ATOM 0 HG11 VAL A 90 4.928 -6.449 -5.825 1.00 0.49 H new ATOM 0 HG12 VAL A 90 4.072 -8.009 -5.879 1.00 0.49 H new ATOM 0 HG13 VAL A 90 4.509 -7.287 -4.312 1.00 0.49 H new ATOM 0 HG21 VAL A 90 7.266 -6.313 -5.249 1.00 0.57 H new ATOM 0 HG22 VAL A 90 6.993 -7.120 -3.687 1.00 0.57 H new ATOM 0 HG23 VAL A 90 8.208 -7.760 -4.818 1.00 0.57 H new ATOM 902 N LEU A 91 7.676 -11.179 -3.771 1.00 0.61 N ATOM 903 CA LEU A 91 8.724 -12.218 -3.801 1.00 0.76 C ATOM 904 C LEU A 91 8.244 -13.556 -4.387 1.00 0.75 C ATOM 905 O LEU A 91 9.030 -14.295 -4.985 1.00 0.88 O ATOM 906 CB LEU A 91 9.204 -12.500 -2.367 1.00 0.82 C ATOM 907 CG LEU A 91 9.953 -11.368 -1.667 1.00 0.97 C ATOM 908 CD1 LEU A 91 10.150 -11.758 -0.202 1.00 1.02 C ATOM 909 CD2 LEU A 91 11.322 -11.126 -2.307 1.00 1.46 C ATOM 0 H LEU A 91 7.191 -11.132 -2.875 1.00 0.61 H new ATOM 0 HA LEU A 91 9.517 -11.828 -4.439 1.00 0.76 H new ATOM 0 HB2 LEU A 91 8.336 -12.761 -1.761 1.00 0.82 H new ATOM 0 HB3 LEU A 91 9.852 -13.376 -2.390 1.00 0.82 H new ATOM 0 HG LEU A 91 9.370 -10.451 -1.756 1.00 0.97 H new ATOM 0 HD11 LEU A 91 10.684 -10.962 0.318 1.00 1.02 H new ATOM 0 HD12 LEU A 91 9.178 -11.910 0.268 1.00 1.02 H new ATOM 0 HD13 LEU A 91 10.729 -12.680 -0.146 1.00 1.02 H new ATOM 0 HD21 LEU A 91 11.829 -10.314 -1.785 1.00 1.46 H new ATOM 0 HD22 LEU A 91 11.922 -12.033 -2.237 1.00 1.46 H new ATOM 0 HD23 LEU A 91 11.191 -10.858 -3.355 1.00 1.46 H new ATOM 921 N ASP A 92 6.981 -13.910 -4.153 1.00 0.72 N ATOM 922 CA ASP A 92 6.451 -15.262 -4.404 1.00 0.85 C ATOM 923 C ASP A 92 6.028 -15.474 -5.867 1.00 0.70 C ATOM 924 O ASP A 92 6.400 -16.458 -6.516 1.00 0.93 O ATOM 925 CB ASP A 92 5.289 -15.496 -3.445 1.00 1.11 C ATOM 926 CG ASP A 92 4.824 -16.954 -3.376 1.00 1.24 C ATOM 927 OD1 ASP A 92 5.664 -17.830 -3.045 1.00 2.40 O ATOM 928 OD2 ASP A 92 3.622 -17.214 -3.635 1.00 1.52 O ATOM 0 H ASP A 92 6.285 -13.264 -3.780 1.00 0.72 H new ATOM 0 HA ASP A 92 7.241 -15.992 -4.227 1.00 0.85 H new ATOM 0 HB2 ASP A 92 5.584 -15.171 -2.447 1.00 1.11 H new ATOM 0 HB3 ASP A 92 4.449 -14.871 -3.748 1.00 1.11 H new ATOM 933 N ASP A 93 5.280 -14.502 -6.388 1.00 0.59 N ATOM 934 CA ASP A 93 4.846 -14.397 -7.778 1.00 0.61 C ATOM 935 C ASP A 93 5.763 -13.432 -8.574 1.00 0.61 C ATOM 936 O ASP A 93 5.600 -12.207 -8.482 1.00 0.51 O ATOM 937 CB ASP A 93 3.388 -13.912 -7.801 1.00 0.77 C ATOM 938 CG ASP A 93 2.359 -15.017 -7.560 1.00 0.88 C ATOM 939 OD1 ASP A 93 2.165 -15.856 -8.475 1.00 1.62 O ATOM 940 OD2 ASP A 93 1.699 -15.036 -6.494 1.00 1.84 O ATOM 0 H ASP A 93 4.943 -13.725 -5.819 1.00 0.59 H new ATOM 0 HA ASP A 93 4.914 -15.374 -8.256 1.00 0.61 H new ATOM 0 HB2 ASP A 93 3.261 -13.140 -7.042 1.00 0.77 H new ATOM 0 HB3 ASP A 93 3.186 -13.447 -8.766 1.00 0.77 H new ATOM 945 N PRO A 94 6.676 -13.932 -9.433 1.00 0.76 N ATOM 946 CA PRO A 94 7.491 -13.066 -10.294 1.00 0.79 C ATOM 947 C PRO A 94 6.649 -12.328 -11.350 1.00 0.71 C ATOM 948 O PRO A 94 7.063 -11.299 -11.884 1.00 0.69 O ATOM 949 CB PRO A 94 8.522 -13.999 -10.921 1.00 1.05 C ATOM 950 CG PRO A 94 7.797 -15.341 -10.997 1.00 1.11 C ATOM 951 CD PRO A 94 6.963 -15.334 -9.716 1.00 0.94 C ATOM 0 HA PRO A 94 7.964 -12.264 -9.727 1.00 0.79 H new ATOM 0 HB2 PRO A 94 8.828 -13.652 -11.908 1.00 1.05 H new ATOM 0 HB3 PRO A 94 9.424 -14.065 -10.313 1.00 1.05 H new ATOM 0 HG2 PRO A 94 7.173 -15.416 -11.888 1.00 1.11 H new ATOM 0 HG3 PRO A 94 8.494 -16.179 -11.024 1.00 1.11 H new ATOM 0 HD2 PRO A 94 6.042 -15.903 -9.846 1.00 0.94 H new ATOM 0 HD3 PRO A 94 7.508 -15.795 -8.892 1.00 0.94 H new ATOM 959 N GLU A 95 5.431 -12.814 -11.593 1.00 0.74 N ATOM 960 CA GLU A 95 4.356 -12.165 -12.316 1.00 0.75 C ATOM 961 C GLU A 95 3.833 -10.906 -11.618 1.00 0.63 C ATOM 962 O GLU A 95 3.666 -9.869 -12.264 1.00 0.64 O ATOM 963 CB GLU A 95 3.227 -13.177 -12.427 1.00 0.87 C ATOM 964 CG GLU A 95 3.596 -14.440 -13.219 1.00 0.98 C ATOM 965 CD GLU A 95 3.924 -14.155 -14.690 1.00 1.75 C ATOM 966 OE1 GLU A 95 5.070 -13.743 -14.996 1.00 3.04 O ATOM 967 OE2 GLU A 95 3.037 -14.311 -15.566 1.00 2.67 O ATOM 0 H GLU A 95 5.158 -13.740 -11.262 1.00 0.74 H new ATOM 0 HA GLU A 95 4.733 -11.844 -13.287 1.00 0.75 H new ATOM 0 HB2 GLU A 95 2.914 -13.468 -11.424 1.00 0.87 H new ATOM 0 HB3 GLU A 95 2.370 -12.700 -12.903 1.00 0.87 H new ATOM 0 HG2 GLU A 95 4.454 -14.919 -12.748 1.00 0.98 H new ATOM 0 HG3 GLU A 95 2.769 -15.148 -13.168 1.00 0.98 H new ATOM 974 N LEU A 96 3.627 -10.970 -10.293 1.00 0.55 N ATOM 975 CA LEU A 96 3.287 -9.789 -9.493 1.00 0.45 C ATOM 976 C LEU A 96 4.469 -8.808 -9.509 1.00 0.38 C ATOM 977 O LEU A 96 4.271 -7.603 -9.658 1.00 0.40 O ATOM 978 CB LEU A 96 2.941 -10.123 -8.020 1.00 0.46 C ATOM 979 CG LEU A 96 1.572 -10.752 -7.692 1.00 0.50 C ATOM 980 CD1 LEU A 96 1.476 -10.981 -6.179 1.00 0.56 C ATOM 981 CD2 LEU A 96 0.394 -9.847 -8.059 1.00 0.63 C ATOM 0 H LEU A 96 3.691 -11.833 -9.753 1.00 0.55 H new ATOM 0 HA LEU A 96 2.397 -9.351 -9.945 1.00 0.45 H new ATOM 0 HB2 LEU A 96 3.710 -10.800 -7.648 1.00 0.46 H new ATOM 0 HB3 LEU A 96 3.024 -9.200 -7.446 1.00 0.46 H new ATOM 0 HG LEU A 96 1.512 -11.673 -8.271 1.00 0.50 H new ATOM 0 HD11 LEU A 96 0.510 -11.426 -5.939 1.00 0.56 H new ATOM 0 HD12 LEU A 96 2.274 -11.652 -5.861 1.00 0.56 H new ATOM 0 HD13 LEU A 96 1.576 -10.028 -5.660 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -0.541 -10.346 -7.804 1.00 0.63 H new ATOM 0 HD22 LEU A 96 0.468 -8.911 -7.506 1.00 0.63 H new ATOM 0 HD23 LEU A 96 0.414 -9.639 -9.129 1.00 0.63 H new ATOM 993 N ARG A 97 5.702 -9.328 -9.405 1.00 0.38 N ATOM 994 CA ARG A 97 6.943 -8.532 -9.431 1.00 0.39 C ATOM 995 C ARG A 97 7.094 -7.719 -10.723 1.00 0.44 C ATOM 996 O ARG A 97 7.243 -6.502 -10.662 1.00 0.47 O ATOM 997 CB ARG A 97 8.138 -9.466 -9.191 1.00 0.46 C ATOM 998 CG ARG A 97 9.431 -8.717 -8.839 1.00 0.60 C ATOM 999 CD ARG A 97 10.594 -9.708 -8.698 1.00 0.80 C ATOM 1000 NE ARG A 97 10.986 -10.281 -9.994 1.00 1.84 N ATOM 1001 CZ ARG A 97 11.703 -11.366 -10.197 1.00 2.30 C ATOM 1002 NH1 ARG A 97 12.273 -12.039 -9.244 1.00 1.69 N ATOM 1003 NH2 ARG A 97 11.845 -11.833 -11.398 1.00 3.73 N ATOM 0 H ARG A 97 5.869 -10.329 -9.299 1.00 0.38 H new ATOM 0 HA ARG A 97 6.901 -7.792 -8.631 1.00 0.39 H new ATOM 0 HB2 ARG A 97 7.895 -10.156 -8.383 1.00 0.46 H new ATOM 0 HB3 ARG A 97 8.306 -10.067 -10.085 1.00 0.46 H new ATOM 0 HG2 ARG A 97 9.659 -7.985 -9.614 1.00 0.60 H new ATOM 0 HG3 ARG A 97 9.299 -8.165 -7.908 1.00 0.60 H new ATOM 0 HD2 ARG A 97 11.450 -9.202 -8.251 1.00 0.80 H new ATOM 0 HD3 ARG A 97 10.307 -10.510 -8.018 1.00 0.80 H new ATOM 0 HE ARG A 97 10.668 -9.784 -10.826 1.00 1.84 H new ATOM 0 HH11 ARG A 97 12.177 -11.733 -8.276 1.00 1.69 H new ATOM 0 HH12 ARG A 97 12.817 -12.873 -9.464 1.00 1.69 H new ATOM 0 HH21 ARG A 97 11.401 -11.360 -12.185 1.00 3.73 H new ATOM 0 HH22 ARG A 97 12.401 -12.674 -11.556 1.00 3.73 H new ATOM 1017 N GLN A 98 6.989 -8.349 -11.894 1.00 0.49 N ATOM 1018 CA GLN A 98 7.050 -7.625 -13.173 1.00 0.55 C ATOM 1019 C GLN A 98 5.824 -6.727 -13.386 1.00 0.58 C ATOM 1020 O GLN A 98 5.944 -5.602 -13.876 1.00 0.68 O ATOM 1021 CB GLN A 98 7.206 -8.617 -14.342 1.00 0.59 C ATOM 1022 CG GLN A 98 8.414 -8.359 -15.255 1.00 1.30 C ATOM 1023 CD GLN A 98 8.507 -6.940 -15.808 1.00 2.36 C ATOM 1024 OE1 GLN A 98 9.417 -6.188 -15.467 1.00 3.93 O ATOM 1025 NE2 GLN A 98 7.593 -6.533 -16.660 1.00 2.69 N ATOM 0 H GLN A 98 6.862 -9.357 -11.988 1.00 0.49 H new ATOM 0 HA GLN A 98 7.924 -6.974 -13.140 1.00 0.55 H new ATOM 0 HB2 GLN A 98 7.286 -9.625 -13.935 1.00 0.59 H new ATOM 0 HB3 GLN A 98 6.300 -8.588 -14.947 1.00 0.59 H new ATOM 0 HG2 GLN A 98 9.325 -8.577 -14.698 1.00 1.30 H new ATOM 0 HG3 GLN A 98 8.376 -9.058 -16.091 1.00 1.30 H new ATOM 0 HE21 GLN A 98 6.840 -7.162 -16.939 1.00 2.69 H new ATOM 0 HE22 GLN A 98 7.637 -5.588 -17.042 1.00 2.69 H new ATOM 1034 N GLY A 99 4.655 -7.197 -12.937 1.00 0.52 N ATOM 1035 CA GLY A 99 3.428 -6.412 -12.903 1.00 0.53 C ATOM 1036 C GLY A 99 3.626 -5.075 -12.191 1.00 0.46 C ATOM 1037 O GLY A 99 3.276 -4.032 -12.741 1.00 0.49 O ATOM 0 H GLY A 99 4.539 -8.147 -12.583 1.00 0.52 H new ATOM 0 HA2 GLY A 99 3.083 -6.233 -13.921 1.00 0.53 H new ATOM 0 HA3 GLY A 99 2.647 -6.980 -12.397 1.00 0.53 H new ATOM 1041 N ILE A 100 4.256 -5.076 -11.011 1.00 0.42 N ATOM 1042 CA ILE A 100 4.429 -3.865 -10.216 1.00 0.45 C ATOM 1043 C ILE A 100 5.600 -3.006 -10.697 1.00 0.56 C ATOM 1044 O ILE A 100 5.484 -1.778 -10.674 1.00 0.63 O ATOM 1045 CB ILE A 100 4.443 -4.206 -8.726 1.00 0.48 C ATOM 1046 CG1 ILE A 100 3.835 -3.059 -7.911 1.00 0.53 C ATOM 1047 CG2 ILE A 100 5.831 -4.561 -8.166 1.00 0.55 C ATOM 1048 CD1 ILE A 100 2.396 -2.633 -8.241 1.00 0.57 C ATOM 0 H ILE A 100 4.656 -5.913 -10.586 1.00 0.42 H new ATOM 0 HA ILE A 100 3.565 -3.218 -10.368 1.00 0.45 H new ATOM 0 HB ILE A 100 3.838 -5.108 -8.630 1.00 0.48 H new ATOM 0 HG12 ILE A 100 3.868 -3.341 -6.859 1.00 0.53 H new ATOM 0 HG13 ILE A 100 4.478 -2.187 -8.028 1.00 0.53 H new ATOM 0 HG21 ILE A 100 5.747 -4.789 -7.103 1.00 0.55 H new ATOM 0 HG22 ILE A 100 6.225 -5.430 -8.693 1.00 0.55 H new ATOM 0 HG23 ILE A 100 6.506 -3.716 -8.304 1.00 0.55 H new ATOM 0 HD11 ILE A 100 2.100 -1.813 -7.586 1.00 0.57 H new ATOM 0 HD12 ILE A 100 2.343 -2.306 -9.279 1.00 0.57 H new ATOM 0 HD13 ILE A 100 1.723 -3.478 -8.092 1.00 0.57 H new ATOM 1060 N LYS A 101 6.685 -3.611 -11.207 1.00 0.63 N ATOM 1061 CA LYS A 101 7.790 -2.875 -11.846 1.00 0.77 C ATOM 1062 C LYS A 101 7.321 -2.072 -13.059 1.00 0.81 C ATOM 1063 O LYS A 101 7.739 -0.924 -13.217 1.00 0.89 O ATOM 1064 CB LYS A 101 8.931 -3.824 -12.246 1.00 0.86 C ATOM 1065 CG LYS A 101 9.762 -4.314 -11.049 1.00 0.93 C ATOM 1066 CD LYS A 101 10.889 -5.227 -11.546 1.00 1.13 C ATOM 1067 CE LYS A 101 11.706 -5.813 -10.389 1.00 1.53 C ATOM 1068 NZ LYS A 101 12.676 -6.817 -10.885 1.00 1.67 N ATOM 0 H LYS A 101 6.822 -4.622 -11.189 1.00 0.63 H new ATOM 0 HA LYS A 101 8.165 -2.169 -11.106 1.00 0.77 H new ATOM 0 HB2 LYS A 101 8.512 -4.686 -12.766 1.00 0.86 H new ATOM 0 HB3 LYS A 101 9.588 -3.315 -12.951 1.00 0.86 H new ATOM 0 HG2 LYS A 101 10.180 -3.463 -10.511 1.00 0.93 H new ATOM 0 HG3 LYS A 101 9.125 -4.854 -10.348 1.00 0.93 H new ATOM 0 HD2 LYS A 101 10.464 -6.038 -12.137 1.00 1.13 H new ATOM 0 HD3 LYS A 101 11.548 -4.663 -12.206 1.00 1.13 H new ATOM 0 HE2 LYS A 101 12.236 -5.014 -9.871 1.00 1.53 H new ATOM 0 HE3 LYS A 101 11.037 -6.275 -9.663 1.00 1.53 H new ATOM 0 HZ1 LYS A 101 13.218 -7.201 -10.085 1.00 1.67 H new ATOM 0 HZ2 LYS A 101 12.165 -7.589 -11.359 1.00 1.67 H new ATOM 0 HZ3 LYS A 101 13.327 -6.367 -11.560 1.00 1.67 H new ATOM 1082 N ASP A 102 6.417 -2.621 -13.871 1.00 0.78 N ATOM 1083 CA ASP A 102 5.793 -1.877 -14.971 1.00 0.86 C ATOM 1084 C ASP A 102 4.771 -0.845 -14.442 1.00 0.80 C ATOM 1085 O ASP A 102 4.920 0.360 -14.656 1.00 0.85 O ATOM 1086 CB ASP A 102 5.182 -2.875 -15.968 1.00 0.92 C ATOM 1087 CG ASP A 102 4.802 -2.213 -17.293 1.00 1.12 C ATOM 1088 OD1 ASP A 102 3.763 -1.511 -17.335 1.00 2.25 O ATOM 1089 OD2 ASP A 102 5.523 -2.403 -18.303 1.00 1.98 O ATOM 0 H ASP A 102 6.097 -3.586 -13.788 1.00 0.78 H new ATOM 0 HA ASP A 102 6.548 -1.295 -15.499 1.00 0.86 H new ATOM 0 HB2 ASP A 102 5.894 -3.678 -16.157 1.00 0.92 H new ATOM 0 HB3 ASP A 102 4.297 -3.331 -15.525 1.00 0.92 H new ATOM 1094 N TYR A 103 3.772 -1.282 -13.666 1.00 0.70 N ATOM 1095 CA TYR A 103 2.632 -0.454 -13.255 1.00 0.70 C ATOM 1096 C TYR A 103 2.996 0.725 -12.332 1.00 0.76 C ATOM 1097 O TYR A 103 2.363 1.784 -12.408 1.00 0.86 O ATOM 1098 CB TYR A 103 1.610 -1.377 -12.584 1.00 0.65 C ATOM 1099 CG TYR A 103 0.235 -0.779 -12.380 1.00 0.56 C ATOM 1100 CD1 TYR A 103 -0.042 -0.044 -11.216 1.00 1.63 C ATOM 1101 CD2 TYR A 103 -0.780 -1.021 -13.324 1.00 1.88 C ATOM 1102 CE1 TYR A 103 -1.357 0.408 -10.967 1.00 1.69 C ATOM 1103 CE2 TYR A 103 -2.097 -0.582 -13.075 1.00 1.83 C ATOM 1104 CZ TYR A 103 -2.388 0.137 -11.897 1.00 0.57 C ATOM 1105 OH TYR A 103 -3.646 0.614 -11.695 1.00 0.67 O ATOM 0 H TYR A 103 3.732 -2.234 -13.301 1.00 0.70 H new ATOM 0 HA TYR A 103 2.224 0.020 -14.148 1.00 0.70 H new ATOM 0 HB2 TYR A 103 1.510 -2.280 -13.186 1.00 0.65 H new ATOM 0 HB3 TYR A 103 2.003 -1.683 -11.614 1.00 0.65 H new ATOM 0 HD1 TYR A 103 0.748 0.175 -10.513 1.00 1.63 H new ATOM 0 HD2 TYR A 103 -0.550 -1.544 -14.241 1.00 1.88 H new ATOM 0 HE1 TYR A 103 -1.576 0.961 -10.066 1.00 1.69 H new ATOM 0 HE2 TYR A 103 -2.882 -0.796 -13.785 1.00 1.83 H new ATOM 0 HH TYR A 103 -4.225 0.332 -12.434 1.00 0.67 H new ATOM 1115 N SER A 104 4.028 0.584 -11.490 1.00 0.76 N ATOM 1116 CA SER A 104 4.610 1.677 -10.677 1.00 0.85 C ATOM 1117 C SER A 104 5.816 2.363 -11.334 1.00 0.95 C ATOM 1118 O SER A 104 6.378 3.301 -10.770 1.00 1.06 O ATOM 1119 CB SER A 104 4.969 1.187 -9.267 1.00 0.87 C ATOM 1120 OG SER A 104 6.089 0.316 -9.249 1.00 2.37 O ATOM 0 H SER A 104 4.497 -0.310 -11.347 1.00 0.76 H new ATOM 0 HA SER A 104 3.831 2.436 -10.604 1.00 0.85 H new ATOM 0 HB2 SER A 104 5.176 2.048 -8.631 1.00 0.87 H new ATOM 0 HB3 SER A 104 4.109 0.673 -8.838 1.00 0.87 H new ATOM 0 HG SER A 104 5.984 -0.366 -9.945 1.00 2.37 H new ATOM 1126 N ASN A 105 6.217 1.895 -12.519 1.00 0.95 N ATOM 1127 CA ASN A 105 7.413 2.331 -13.261 1.00 1.04 C ATOM 1128 C ASN A 105 8.749 2.262 -12.460 1.00 1.05 C ATOM 1129 O ASN A 105 9.711 2.950 -12.817 1.00 1.13 O ATOM 1130 CB ASN A 105 7.132 3.715 -13.903 1.00 1.18 C ATOM 1131 CG ASN A 105 7.817 3.963 -15.231 1.00 1.34 C ATOM 1132 OD1 ASN A 105 7.187 4.105 -16.274 1.00 1.50 O ATOM 1133 ND2 ASN A 105 9.115 4.051 -15.260 1.00 1.54 N ATOM 0 H ASN A 105 5.697 1.170 -13.013 1.00 0.95 H new ATOM 0 HA ASN A 105 7.592 1.605 -14.054 1.00 1.04 H new ATOM 0 HB2 ASN A 105 6.056 3.821 -14.042 1.00 1.18 H new ATOM 0 HB3 ASN A 105 7.441 4.491 -13.203 1.00 1.18 H new ATOM 0 HD21 ASN A 105 9.594 4.236 -16.141 1.00 1.54 H new ATOM 0 HD22 ASN A 105 9.653 3.935 -14.401 1.00 1.54 H new ATOM 1140 N TRP A 106 8.842 1.493 -11.365 1.00 0.99 N ATOM 1141 CA TRP A 106 10.023 1.476 -10.479 1.00 0.96 C ATOM 1142 C TRP A 106 10.554 0.064 -10.177 1.00 0.83 C ATOM 1143 O TRP A 106 9.745 -0.823 -9.897 1.00 0.79 O ATOM 1144 CB TRP A 106 9.710 2.241 -9.182 1.00 0.99 C ATOM 1145 CG TRP A 106 10.706 3.316 -8.868 1.00 1.19 C ATOM 1146 CD1 TRP A 106 11.657 3.287 -7.904 1.00 1.20 C ATOM 1147 CD2 TRP A 106 10.847 4.613 -9.522 1.00 1.49 C ATOM 1148 NE1 TRP A 106 12.420 4.436 -7.971 1.00 1.55 N ATOM 1149 CE2 TRP A 106 11.971 5.287 -8.958 1.00 1.75 C ATOM 1150 CE3 TRP A 106 10.134 5.287 -10.540 1.00 1.59 C ATOM 1151 CZ2 TRP A 106 12.393 6.545 -9.412 1.00 2.14 C ATOM 1152 CZ3 TRP A 106 10.552 6.549 -11.004 1.00 1.98 C ATOM 1153 CH2 TRP A 106 11.685 7.172 -10.451 1.00 2.26 C ATOM 0 H TRP A 106 8.099 0.862 -11.065 1.00 0.99 H new ATOM 0 HA TRP A 106 10.828 1.976 -11.017 1.00 0.96 H new ATOM 0 HB2 TRP A 106 8.719 2.687 -9.263 1.00 0.99 H new ATOM 0 HB3 TRP A 106 9.675 1.535 -8.352 1.00 0.99 H new ATOM 0 HD1 TRP A 106 11.797 2.487 -7.192 1.00 1.20 H new ATOM 0 HE1 TRP A 106 13.217 4.631 -7.365 1.00 1.55 H new ATOM 0 HE3 TRP A 106 9.256 4.827 -10.968 1.00 1.59 H new ATOM 0 HZ2 TRP A 106 13.252 7.026 -8.968 1.00 2.14 H new ATOM 0 HZ3 TRP A 106 9.999 7.042 -11.790 1.00 1.98 H new ATOM 0 HH2 TRP A 106 12.011 8.132 -10.825 1.00 2.26 H new ATOM 1164 N PRO A 107 11.885 -0.170 -10.143 1.00 0.90 N ATOM 1165 CA PRO A 107 12.458 -1.498 -9.885 1.00 0.90 C ATOM 1166 C PRO A 107 12.239 -2.003 -8.449 1.00 0.76 C ATOM 1167 O PRO A 107 12.148 -3.213 -8.225 1.00 0.75 O ATOM 1168 CB PRO A 107 13.948 -1.369 -10.216 1.00 1.11 C ATOM 1169 CG PRO A 107 14.245 0.111 -9.987 1.00 1.17 C ATOM 1170 CD PRO A 107 12.950 0.785 -10.432 1.00 1.06 C ATOM 0 HA PRO A 107 11.958 -2.247 -10.500 1.00 0.90 H new ATOM 0 HB2 PRO A 107 14.557 -2.004 -9.572 1.00 1.11 H new ATOM 0 HB3 PRO A 107 14.156 -1.664 -11.244 1.00 1.11 H new ATOM 0 HG2 PRO A 107 14.473 0.321 -8.942 1.00 1.17 H new ATOM 0 HG3 PRO A 107 15.100 0.448 -10.574 1.00 1.17 H new ATOM 0 HD2 PRO A 107 12.792 1.721 -9.896 1.00 1.06 H new ATOM 0 HD3 PRO A 107 12.980 1.027 -11.494 1.00 1.06 H new ATOM 1178 N THR A 108 12.116 -1.108 -7.462 1.00 0.76 N ATOM 1179 CA THR A 108 11.654 -1.440 -6.100 1.00 0.88 C ATOM 1180 C THR A 108 11.026 -0.218 -5.424 1.00 1.06 C ATOM 1181 O THR A 108 11.735 0.732 -5.091 1.00 1.69 O ATOM 1182 CB THR A 108 12.787 -1.965 -5.191 1.00 1.22 C ATOM 1183 OG1 THR A 108 13.565 -2.967 -5.822 1.00 2.34 O ATOM 1184 CG2 THR A 108 12.223 -2.593 -3.914 1.00 2.10 C ATOM 0 H THR A 108 12.336 -0.119 -7.583 1.00 0.76 H new ATOM 0 HA THR A 108 10.916 -2.232 -6.224 1.00 0.88 H new ATOM 0 HB THR A 108 13.405 -1.096 -4.968 1.00 1.22 H new ATOM 0 HG1 THR A 108 13.108 -3.274 -6.633 1.00 2.34 H new ATOM 0 HG21 THR A 108 13.043 -2.954 -3.293 1.00 2.10 H new ATOM 0 HG22 THR A 108 11.652 -1.846 -3.363 1.00 2.10 H new ATOM 0 HG23 THR A 108 11.572 -3.427 -4.176 1.00 2.10 H new ATOM 1192 N ILE A 109 9.709 -0.249 -5.201 1.00 1.03 N ATOM 1193 CA ILE A 109 8.996 0.597 -4.224 1.00 1.09 C ATOM 1194 C ILE A 109 7.925 -0.260 -3.528 1.00 0.97 C ATOM 1195 O ILE A 109 7.012 -0.736 -4.217 1.00 1.46 O ATOM 1196 CB ILE A 109 8.335 1.842 -4.869 1.00 1.55 C ATOM 1197 CG1 ILE A 109 9.388 2.768 -5.499 1.00 2.10 C ATOM 1198 CG2 ILE A 109 7.572 2.642 -3.804 1.00 1.61 C ATOM 1199 CD1 ILE A 109 8.852 4.084 -6.076 1.00 4.13 C ATOM 0 H ILE A 109 9.087 -0.879 -5.707 1.00 1.03 H new ATOM 0 HA ILE A 109 9.728 0.971 -3.508 1.00 1.09 H new ATOM 0 HB ILE A 109 7.655 1.487 -5.644 1.00 1.55 H new ATOM 0 HG12 ILE A 109 10.139 3.002 -4.744 1.00 2.10 H new ATOM 0 HG13 ILE A 109 9.896 2.223 -6.295 1.00 2.10 H new ATOM 0 HG21 ILE A 109 7.111 3.515 -4.266 1.00 1.61 H new ATOM 0 HG22 ILE A 109 6.798 2.014 -3.362 1.00 1.61 H new ATOM 0 HG23 ILE A 109 8.264 2.966 -3.027 1.00 1.61 H new ATOM 0 HD11 ILE A 109 9.677 4.660 -6.495 1.00 4.13 H new ATOM 0 HD12 ILE A 109 8.125 3.869 -6.859 1.00 4.13 H new ATOM 0 HD13 ILE A 109 8.372 4.660 -5.284 1.00 4.13 H new ATOM 1211 N PRO A 110 7.937 -0.427 -2.193 1.00 0.68 N ATOM 1212 CA PRO A 110 6.782 -0.957 -1.492 1.00 0.57 C ATOM 1213 C PRO A 110 5.765 0.173 -1.243 1.00 0.44 C ATOM 1214 O PRO A 110 6.142 1.266 -0.808 1.00 0.60 O ATOM 1215 CB PRO A 110 7.348 -1.604 -0.235 1.00 1.01 C ATOM 1216 CG PRO A 110 8.550 -0.749 0.105 1.00 0.81 C ATOM 1217 CD PRO A 110 9.016 -0.178 -1.247 1.00 0.89 C ATOM 0 HA PRO A 110 6.219 -1.704 -2.051 1.00 0.57 H new ATOM 0 HB2 PRO A 110 6.619 -1.608 0.575 1.00 1.01 H new ATOM 0 HB3 PRO A 110 7.633 -2.641 -0.413 1.00 1.01 H new ATOM 0 HG2 PRO A 110 8.286 0.047 0.802 1.00 0.81 H new ATOM 0 HG3 PRO A 110 9.335 -1.339 0.578 1.00 0.81 H new ATOM 0 HD2 PRO A 110 9.224 0.889 -1.167 1.00 0.89 H new ATOM 0 HD3 PRO A 110 9.938 -0.658 -1.574 1.00 0.89 H new ATOM 1225 N GLN A 111 4.490 -0.051 -1.576 1.00 0.40 N ATOM 1226 CA GLN A 111 3.499 1.016 -1.754 1.00 0.52 C ATOM 1227 C GLN A 111 2.094 0.580 -1.324 1.00 0.31 C ATOM 1228 O GLN A 111 1.864 -0.591 -1.010 1.00 0.31 O ATOM 1229 CB GLN A 111 3.569 1.520 -3.217 1.00 0.97 C ATOM 1230 CG GLN A 111 3.336 0.469 -4.317 1.00 1.02 C ATOM 1231 CD GLN A 111 3.934 0.916 -5.653 1.00 1.19 C ATOM 1232 OE1 GLN A 111 3.384 1.731 -6.383 1.00 2.55 O ATOM 1233 NE2 GLN A 111 5.105 0.438 -6.011 1.00 1.42 N ATOM 0 H GLN A 111 4.113 -0.986 -1.731 1.00 0.40 H new ATOM 0 HA GLN A 111 3.737 1.850 -1.094 1.00 0.52 H new ATOM 0 HB2 GLN A 111 2.831 2.313 -3.341 1.00 0.97 H new ATOM 0 HB3 GLN A 111 4.549 1.969 -3.377 1.00 0.97 H new ATOM 0 HG2 GLN A 111 3.782 -0.479 -4.016 1.00 1.02 H new ATOM 0 HG3 GLN A 111 2.266 0.295 -4.435 1.00 1.02 H new ATOM 0 HE21 GLN A 111 5.581 -0.242 -5.418 1.00 1.42 H new ATOM 0 HE22 GLN A 111 5.537 0.747 -6.882 1.00 1.42 H new ATOM 1242 N VAL A 112 1.141 1.515 -1.293 1.00 0.32 N ATOM 1243 CA VAL A 112 -0.260 1.214 -1.006 1.00 0.30 C ATOM 1244 C VAL A 112 -1.155 1.949 -1.992 1.00 0.35 C ATOM 1245 O VAL A 112 -0.899 3.106 -2.348 1.00 0.56 O ATOM 1246 CB VAL A 112 -0.603 1.486 0.473 1.00 0.29 C ATOM 1247 CG1 VAL A 112 -0.544 2.958 0.886 1.00 0.34 C ATOM 1248 CG2 VAL A 112 -1.978 0.925 0.853 1.00 0.27 C ATOM 0 H VAL A 112 1.322 2.504 -1.467 1.00 0.32 H new ATOM 0 HA VAL A 112 -0.442 0.149 -1.147 1.00 0.30 H new ATOM 0 HB VAL A 112 0.184 0.966 1.019 1.00 0.29 H new ATOM 0 HG11 VAL A 112 -0.800 3.050 1.941 1.00 0.34 H new ATOM 0 HG12 VAL A 112 0.463 3.342 0.722 1.00 0.34 H new ATOM 0 HG13 VAL A 112 -1.253 3.532 0.289 1.00 0.34 H new ATOM 0 HG21 VAL A 112 -2.180 1.138 1.903 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -2.745 1.391 0.234 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -1.988 -0.153 0.693 1.00 0.27 H new ATOM 1258 N TYR A 113 -2.199 1.254 -2.436 1.00 0.28 N ATOM 1259 CA TYR A 113 -3.272 1.833 -3.235 1.00 0.27 C ATOM 1260 C TYR A 113 -4.532 1.900 -2.375 1.00 0.31 C ATOM 1261 O TYR A 113 -4.890 0.918 -1.714 1.00 0.35 O ATOM 1262 CB TYR A 113 -3.488 1.036 -4.535 1.00 0.27 C ATOM 1263 CG TYR A 113 -2.260 0.945 -5.418 1.00 0.34 C ATOM 1264 CD1 TYR A 113 -1.294 -0.034 -5.134 1.00 1.45 C ATOM 1265 CD2 TYR A 113 -2.091 1.791 -6.531 1.00 1.45 C ATOM 1266 CE1 TYR A 113 -0.177 -0.200 -5.970 1.00 1.57 C ATOM 1267 CE2 TYR A 113 -0.951 1.659 -7.349 1.00 1.48 C ATOM 1268 CZ TYR A 113 -0.001 0.650 -7.077 1.00 0.74 C ATOM 1269 OH TYR A 113 1.089 0.507 -7.871 1.00 1.01 O ATOM 0 H TYR A 113 -2.324 0.259 -2.248 1.00 0.28 H new ATOM 0 HA TYR A 113 -3.006 2.844 -3.545 1.00 0.27 H new ATOM 0 HB2 TYR A 113 -3.814 0.028 -4.280 1.00 0.27 H new ATOM 0 HB3 TYR A 113 -4.296 1.499 -5.102 1.00 0.27 H new ATOM 0 HD1 TYR A 113 -1.411 -0.665 -4.265 1.00 1.45 H new ATOM 0 HD2 TYR A 113 -2.835 2.541 -6.758 1.00 1.45 H new ATOM 0 HE1 TYR A 113 0.544 -0.977 -5.763 1.00 1.57 H new ATOM 0 HE2 TYR A 113 -0.804 2.329 -8.183 1.00 1.48 H new ATOM 0 HH TYR A 113 1.871 0.895 -7.426 1.00 1.01 H new ATOM 1279 N LEU A 114 -5.201 3.054 -2.380 1.00 0.32 N ATOM 1280 CA LEU A 114 -6.501 3.229 -1.735 1.00 0.32 C ATOM 1281 C LEU A 114 -7.566 3.449 -2.797 1.00 0.42 C ATOM 1282 O LEU A 114 -7.428 4.315 -3.662 1.00 0.51 O ATOM 1283 CB LEU A 114 -6.501 4.355 -0.684 1.00 0.34 C ATOM 1284 CG LEU A 114 -6.356 3.837 0.757 1.00 0.30 C ATOM 1285 CD1 LEU A 114 -4.966 3.292 1.021 1.00 0.33 C ATOM 1286 CD2 LEU A 114 -6.676 4.960 1.740 1.00 0.38 C ATOM 0 H LEU A 114 -4.853 3.898 -2.835 1.00 0.32 H new ATOM 0 HA LEU A 114 -6.729 2.317 -1.183 1.00 0.32 H new ATOM 0 HB2 LEU A 114 -5.685 5.045 -0.899 1.00 0.34 H new ATOM 0 HB3 LEU A 114 -7.428 4.922 -0.768 1.00 0.34 H new ATOM 0 HG LEU A 114 -7.061 3.017 0.894 1.00 0.30 H new ATOM 0 HD11 LEU A 114 -4.904 2.936 2.049 1.00 0.33 H new ATOM 0 HD12 LEU A 114 -4.763 2.467 0.338 1.00 0.33 H new ATOM 0 HD13 LEU A 114 -4.230 4.081 0.865 1.00 0.33 H new ATOM 0 HD21 LEU A 114 -6.573 4.591 2.760 1.00 0.38 H new ATOM 0 HD22 LEU A 114 -5.986 5.789 1.582 1.00 0.38 H new ATOM 0 HD23 LEU A 114 -7.698 5.303 1.580 1.00 0.38 H new ATOM 1298 N ASN A 115 -8.628 2.652 -2.713 1.00 0.44 N ATOM 1299 CA ASN A 115 -9.731 2.647 -3.682 1.00 0.53 C ATOM 1300 C ASN A 115 -9.248 2.393 -5.131 1.00 0.55 C ATOM 1301 O ASN A 115 -9.651 3.080 -6.073 1.00 0.77 O ATOM 1302 CB ASN A 115 -10.539 3.934 -3.511 1.00 0.60 C ATOM 1303 CG ASN A 115 -11.949 3.793 -4.034 1.00 0.86 C ATOM 1304 OD1 ASN A 115 -12.409 2.749 -4.481 1.00 0.91 O ATOM 1305 ND2 ASN A 115 -12.704 4.841 -3.902 1.00 1.11 N ATOM 0 H ASN A 115 -8.753 1.978 -1.958 1.00 0.44 H new ATOM 0 HA ASN A 115 -10.392 1.805 -3.479 1.00 0.53 H new ATOM 0 HB2 ASN A 115 -10.570 4.205 -2.456 1.00 0.60 H new ATOM 0 HB3 ASN A 115 -10.038 4.748 -4.035 1.00 0.60 H new ATOM 0 HD21 ASN A 115 -13.687 4.799 -4.171 1.00 1.11 H new ATOM 0 HD22 ASN A 115 -12.314 5.707 -3.529 1.00 1.11 H new ATOM 1312 N GLY A 116 -8.298 1.464 -5.285 1.00 0.39 N ATOM 1313 CA GLY A 116 -7.572 1.172 -6.524 1.00 0.39 C ATOM 1314 C GLY A 116 -6.651 2.274 -7.069 1.00 0.43 C ATOM 1315 O GLY A 116 -6.160 2.140 -8.191 1.00 0.55 O ATOM 0 H GLY A 116 -8.001 0.868 -4.512 1.00 0.39 H new ATOM 0 HA2 GLY A 116 -6.971 0.278 -6.361 1.00 0.39 H new ATOM 0 HA3 GLY A 116 -8.303 0.929 -7.295 1.00 0.39 H new ATOM 1319 N GLU A 117 -6.420 3.363 -6.332 1.00 0.46 N ATOM 1320 CA GLU A 117 -5.688 4.541 -6.799 1.00 0.49 C ATOM 1321 C GLU A 117 -4.373 4.740 -6.049 1.00 0.46 C ATOM 1322 O GLU A 117 -4.248 4.418 -4.868 1.00 0.42 O ATOM 1323 CB GLU A 117 -6.611 5.754 -6.731 1.00 0.57 C ATOM 1324 CG GLU A 117 -5.954 7.072 -7.093 1.00 0.75 C ATOM 1325 CD GLU A 117 -6.913 8.264 -7.051 1.00 1.05 C ATOM 1326 OE1 GLU A 117 -8.136 8.101 -7.278 1.00 1.72 O ATOM 1327 OE2 GLU A 117 -6.422 9.401 -6.847 1.00 1.72 O ATOM 0 H GLU A 117 -6.746 3.451 -5.369 1.00 0.46 H new ATOM 0 HA GLU A 117 -5.392 4.395 -7.838 1.00 0.49 H new ATOM 0 HB2 GLU A 117 -7.455 5.589 -7.400 1.00 0.57 H new ATOM 0 HB3 GLU A 117 -7.015 5.830 -5.721 1.00 0.57 H new ATOM 0 HG2 GLU A 117 -5.127 7.257 -6.408 1.00 0.75 H new ATOM 0 HG3 GLU A 117 -5.528 6.994 -8.093 1.00 0.75 H new ATOM 1334 N PHE A 118 -3.380 5.266 -6.765 1.00 0.51 N ATOM 1335 CA PHE A 118 -2.033 5.479 -6.272 1.00 0.51 C ATOM 1336 C PHE A 118 -1.885 6.769 -5.465 1.00 0.51 C ATOM 1337 O PHE A 118 -2.447 7.838 -5.728 1.00 0.61 O ATOM 1338 CB PHE A 118 -1.068 5.403 -7.456 1.00 0.57 C ATOM 1339 CG PHE A 118 0.418 5.442 -7.143 1.00 0.66 C ATOM 1340 CD1 PHE A 118 0.968 4.793 -6.017 1.00 1.77 C ATOM 1341 CD2 PHE A 118 1.266 6.096 -8.049 1.00 1.92 C ATOM 1342 CE1 PHE A 118 2.362 4.798 -5.816 1.00 1.85 C ATOM 1343 CE2 PHE A 118 2.657 6.110 -7.844 1.00 2.01 C ATOM 1344 CZ PHE A 118 3.206 5.459 -6.725 1.00 1.05 C ATOM 0 H PHE A 118 -3.502 5.563 -7.733 1.00 0.51 H new ATOM 0 HA PHE A 118 -1.788 4.692 -5.559 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -1.274 4.482 -8.002 1.00 0.57 H new ATOM 0 HB3 PHE A 118 -1.293 6.230 -8.129 1.00 0.57 H new ATOM 0 HD1 PHE A 118 0.321 4.294 -5.311 1.00 1.77 H new ATOM 0 HD2 PHE A 118 0.847 6.593 -8.911 1.00 1.92 H new ATOM 0 HE1 PHE A 118 2.784 4.292 -4.960 1.00 1.85 H new ATOM 0 HE2 PHE A 118 3.302 6.620 -8.544 1.00 2.01 H new ATOM 0 HZ PHE A 118 4.274 5.467 -6.564 1.00 1.05 H new ATOM 1354 N VAL A 119 -1.161 6.556 -4.379 1.00 0.43 N ATOM 1355 CA VAL A 119 -1.484 7.081 -3.060 1.00 0.37 C ATOM 1356 C VAL A 119 -0.197 7.140 -2.251 1.00 0.54 C ATOM 1357 O VAL A 119 0.136 8.201 -1.727 1.00 0.75 O ATOM 1358 CB VAL A 119 -2.557 6.132 -2.494 1.00 0.52 C ATOM 1359 CG1 VAL A 119 -2.487 5.784 -1.027 1.00 0.80 C ATOM 1360 CG2 VAL A 119 -3.925 6.752 -2.776 1.00 1.48 C ATOM 0 H VAL A 119 -0.308 5.997 -4.389 1.00 0.43 H new ATOM 0 HA VAL A 119 -1.885 8.094 -3.053 1.00 0.37 H new ATOM 0 HB VAL A 119 -2.374 5.183 -2.998 1.00 0.52 H new ATOM 0 HG11 VAL A 119 -3.305 5.109 -0.774 1.00 0.80 H new ATOM 0 HG12 VAL A 119 -1.535 5.297 -0.814 1.00 0.80 H new ATOM 0 HG13 VAL A 119 -2.570 6.694 -0.433 1.00 0.80 H new ATOM 0 HG21 VAL A 119 -4.707 6.101 -2.386 1.00 1.48 H new ATOM 0 HG22 VAL A 119 -3.989 7.727 -2.292 1.00 1.48 H new ATOM 0 HG23 VAL A 119 -4.056 6.871 -3.852 1.00 1.48 H new ATOM 1370 N GLY A 120 0.621 6.085 -2.338 1.00 0.53 N ATOM 1371 CA GLY A 120 2.051 6.286 -2.535 1.00 0.58 C ATOM 1372 C GLY A 120 2.957 5.160 -2.043 1.00 0.52 C ATOM 1373 O GLY A 120 2.494 4.159 -1.494 1.00 0.57 O ATOM 0 H GLY A 120 0.324 5.111 -2.277 1.00 0.53 H new ATOM 0 HA2 GLY A 120 2.234 6.435 -3.599 1.00 0.58 H new ATOM 0 HA3 GLY A 120 2.342 7.207 -2.030 1.00 0.58 H new ATOM 1377 N GLY A 121 4.262 5.332 -2.270 1.00 0.58 N ATOM 1378 CA GLY A 121 5.316 4.507 -1.675 1.00 0.62 C ATOM 1379 C GLY A 121 5.649 4.892 -0.230 1.00 0.63 C ATOM 1380 O GLY A 121 5.115 5.859 0.315 1.00 0.68 O ATOM 0 H GLY A 121 4.622 6.062 -2.884 1.00 0.58 H new ATOM 0 HA2 GLY A 121 5.008 3.462 -1.703 1.00 0.62 H new ATOM 0 HA3 GLY A 121 6.218 4.590 -2.282 1.00 0.62 H new ATOM 1384 N CYS A 122 6.566 4.150 0.391 1.00 0.63 N ATOM 1385 CA CYS A 122 7.031 4.382 1.763 1.00 0.62 C ATOM 1386 C CYS A 122 7.645 5.776 2.006 1.00 0.59 C ATOM 1387 O CYS A 122 7.551 6.313 3.110 1.00 0.69 O ATOM 1388 CB CYS A 122 8.056 3.285 2.076 1.00 0.68 C ATOM 1389 SG CYS A 122 8.494 3.274 3.839 1.00 0.94 S ATOM 0 H CYS A 122 7.018 3.352 -0.055 1.00 0.63 H new ATOM 0 HA CYS A 122 6.166 4.347 2.425 1.00 0.62 H new ATOM 0 HB2 CYS A 122 7.650 2.314 1.794 1.00 0.68 H new ATOM 0 HB3 CYS A 122 8.953 3.441 1.477 1.00 0.68 H new ATOM 0 HG CYS A 122 8.409 2.061 4.300 1.00 0.94 H new ATOM 1395 N ASP A 123 8.246 6.398 0.993 1.00 0.58 N ATOM 1396 CA ASP A 123 8.687 7.794 1.064 1.00 0.65 C ATOM 1397 C ASP A 123 7.504 8.764 1.134 1.00 0.71 C ATOM 1398 O ASP A 123 7.525 9.706 1.923 1.00 0.90 O ATOM 1399 CB ASP A 123 9.573 8.094 -0.150 1.00 0.86 C ATOM 1400 CG ASP A 123 10.054 9.549 -0.193 1.00 1.61 C ATOM 1401 OD1 ASP A 123 10.819 9.944 0.722 1.00 1.94 O ATOM 1402 OD2 ASP A 123 9.695 10.273 -1.156 1.00 3.04 O ATOM 0 H ASP A 123 8.442 5.950 0.098 1.00 0.58 H new ATOM 0 HA ASP A 123 9.258 7.936 1.981 1.00 0.65 H new ATOM 0 HB2 ASP A 123 10.438 7.431 -0.135 1.00 0.86 H new ATOM 0 HB3 ASP A 123 9.018 7.873 -1.062 1.00 0.86 H new ATOM 1407 N ILE A 124 6.440 8.499 0.373 1.00 0.65 N ATOM 1408 CA ILE A 124 5.247 9.356 0.301 1.00 0.71 C ATOM 1409 C ILE A 124 4.443 9.252 1.589 1.00 0.65 C ATOM 1410 O ILE A 124 4.049 10.265 2.166 1.00 0.63 O ATOM 1411 CB ILE A 124 4.385 8.989 -0.914 1.00 0.88 C ATOM 1412 CG1 ILE A 124 5.183 9.079 -2.222 1.00 1.02 C ATOM 1413 CG2 ILE A 124 3.142 9.886 -0.970 1.00 0.90 C ATOM 1414 CD1 ILE A 124 5.904 10.402 -2.498 1.00 1.20 C ATOM 0 H ILE A 124 6.379 7.672 -0.221 1.00 0.65 H new ATOM 0 HA ILE A 124 5.571 10.390 0.181 1.00 0.71 H new ATOM 0 HB ILE A 124 4.066 7.953 -0.800 1.00 0.88 H new ATOM 0 HG12 ILE A 124 5.925 8.280 -2.224 1.00 1.02 H new ATOM 0 HG13 ILE A 124 4.502 8.883 -3.050 1.00 1.02 H new ATOM 0 HG21 ILE A 124 2.538 9.617 -1.836 1.00 0.90 H new ATOM 0 HG22 ILE A 124 2.555 9.751 -0.062 1.00 0.90 H new ATOM 0 HG23 ILE A 124 3.449 10.929 -1.052 1.00 0.90 H new ATOM 0 HD11 ILE A 124 6.430 10.338 -3.450 1.00 1.20 H new ATOM 0 HD12 ILE A 124 5.175 11.212 -2.540 1.00 1.20 H new ATOM 0 HD13 ILE A 124 6.620 10.599 -1.700 1.00 1.20 H new ATOM 1426 N LEU A 125 4.272 8.028 2.088 1.00 0.64 N ATOM 1427 CA LEU A 125 3.625 7.773 3.370 1.00 0.68 C ATOM 1428 C LEU A 125 4.319 8.522 4.520 1.00 0.60 C ATOM 1429 O LEU A 125 3.634 9.008 5.415 1.00 0.68 O ATOM 1430 CB LEU A 125 3.560 6.249 3.620 1.00 0.75 C ATOM 1431 CG LEU A 125 2.129 5.776 3.916 1.00 0.47 C ATOM 1432 CD1 LEU A 125 1.240 5.831 2.669 1.00 0.48 C ATOM 1433 CD2 LEU A 125 2.114 4.339 4.433 1.00 0.63 C ATOM 0 H LEU A 125 4.581 7.182 1.609 1.00 0.64 H new ATOM 0 HA LEU A 125 2.607 8.160 3.334 1.00 0.68 H new ATOM 0 HB2 LEU A 125 3.943 5.721 2.746 1.00 0.75 H new ATOM 0 HB3 LEU A 125 4.208 5.991 4.458 1.00 0.75 H new ATOM 0 HG LEU A 125 1.741 6.455 4.675 1.00 0.47 H new ATOM 0 HD11 LEU A 125 0.237 5.488 2.922 1.00 0.48 H new ATOM 0 HD12 LEU A 125 1.191 6.856 2.302 1.00 0.48 H new ATOM 0 HD13 LEU A 125 1.659 5.188 1.895 1.00 0.48 H new ATOM 0 HD21 LEU A 125 1.087 4.035 4.633 1.00 0.63 H new ATOM 0 HD22 LEU A 125 2.549 3.678 3.683 1.00 0.63 H new ATOM 0 HD23 LEU A 125 2.696 4.277 5.353 1.00 0.63 H new ATOM 1445 N LEU A 126 5.641 8.718 4.456 1.00 0.52 N ATOM 1446 CA LEU A 126 6.405 9.448 5.484 1.00 0.58 C ATOM 1447 C LEU A 126 6.151 10.964 5.449 1.00 0.58 C ATOM 1448 O LEU A 126 6.328 11.652 6.453 1.00 0.77 O ATOM 1449 CB LEU A 126 7.913 9.130 5.354 1.00 0.63 C ATOM 1450 CG LEU A 126 8.613 8.657 6.643 1.00 0.64 C ATOM 1451 CD1 LEU A 126 8.494 9.652 7.798 1.00 0.66 C ATOM 1452 CD2 LEU A 126 8.071 7.311 7.120 1.00 0.67 C ATOM 0 H LEU A 126 6.217 8.375 3.688 1.00 0.52 H new ATOM 0 HA LEU A 126 6.053 9.103 6.456 1.00 0.58 H new ATOM 0 HB2 LEU A 126 8.038 8.361 4.592 1.00 0.63 H new ATOM 0 HB3 LEU A 126 8.423 10.023 4.993 1.00 0.63 H new ATOM 0 HG LEU A 126 9.664 8.566 6.369 1.00 0.64 H new ATOM 0 HD11 LEU A 126 9.009 9.256 8.674 1.00 0.66 H new ATOM 0 HD12 LEU A 126 8.946 10.601 7.509 1.00 0.66 H new ATOM 0 HD13 LEU A 126 7.442 9.809 8.036 1.00 0.66 H new ATOM 0 HD21 LEU A 126 8.590 7.012 8.031 1.00 0.67 H new ATOM 0 HD22 LEU A 126 7.004 7.400 7.323 1.00 0.67 H new ATOM 0 HD23 LEU A 126 8.232 6.559 6.347 1.00 0.67 H new ATOM 1464 N GLN A 127 5.694 11.499 4.318 1.00 0.50 N ATOM 1465 CA GLN A 127 5.180 12.859 4.222 1.00 0.53 C ATOM 1466 C GLN A 127 3.729 12.901 4.729 1.00 0.52 C ATOM 1467 O GLN A 127 3.392 13.582 5.700 1.00 0.56 O ATOM 1468 CB GLN A 127 5.254 13.313 2.756 1.00 0.61 C ATOM 1469 CG GLN A 127 6.528 12.938 1.980 1.00 0.71 C ATOM 1470 CD GLN A 127 7.842 13.137 2.734 1.00 0.74 C ATOM 1471 OE1 GLN A 127 8.240 14.240 3.092 1.00 0.87 O ATOM 1472 NE2 GLN A 127 8.558 12.075 3.011 1.00 0.75 N ATOM 0 H GLN A 127 5.671 10.992 3.433 1.00 0.50 H new ATOM 0 HA GLN A 127 5.778 13.532 4.837 1.00 0.53 H new ATOM 0 HB2 GLN A 127 4.398 12.895 2.227 1.00 0.61 H new ATOM 0 HB3 GLN A 127 5.146 14.397 2.730 1.00 0.61 H new ATOM 0 HG2 GLN A 127 6.456 11.892 1.682 1.00 0.71 H new ATOM 0 HG3 GLN A 127 6.562 13.529 1.065 1.00 0.71 H new ATOM 0 HE21 GLN A 127 8.236 11.152 2.718 1.00 0.75 H new ATOM 0 HE22 GLN A 127 9.437 12.171 3.520 1.00 0.75 H new ATOM 1481 N MET A 128 2.863 12.102 4.101 1.00 0.53 N ATOM 1482 CA MET A 128 1.421 12.162 4.258 1.00 0.59 C ATOM 1483 C MET A 128 0.924 11.753 5.644 1.00 0.60 C ATOM 1484 O MET A 128 -0.072 12.304 6.108 1.00 0.67 O ATOM 1485 CB MET A 128 0.820 11.209 3.234 1.00 0.64 C ATOM 1486 CG MET A 128 0.991 11.667 1.786 1.00 0.71 C ATOM 1487 SD MET A 128 -0.021 10.699 0.643 1.00 0.91 S ATOM 1488 CE MET A 128 -1.624 11.393 1.083 1.00 0.97 C ATOM 0 H MET A 128 3.163 11.375 3.451 1.00 0.53 H new ATOM 0 HA MET A 128 1.118 13.200 4.118 1.00 0.59 H new ATOM 0 HB2 MET A 128 1.280 10.228 3.351 1.00 0.64 H new ATOM 0 HB3 MET A 128 -0.243 11.089 3.444 1.00 0.64 H new ATOM 0 HG2 MET A 128 0.722 12.720 1.705 1.00 0.71 H new ATOM 0 HG3 MET A 128 2.040 11.583 1.501 1.00 0.71 H new ATOM 0 HE1 MET A 128 -2.410 10.862 0.546 1.00 0.97 H new ATOM 0 HE2 MET A 128 -1.783 11.289 2.156 1.00 0.97 H new ATOM 0 HE3 MET A 128 -1.650 12.449 0.813 1.00 0.97 H new ATOM 1498 N HIS A 129 1.598 10.811 6.310 1.00 0.54 N ATOM 1499 CA HIS A 129 1.270 10.397 7.694 1.00 0.56 C ATOM 1500 C HIS A 129 1.302 11.581 8.644 1.00 0.66 C ATOM 1501 O HIS A 129 0.440 11.784 9.499 1.00 0.73 O ATOM 1502 CB HIS A 129 2.324 9.430 8.231 1.00 0.53 C ATOM 1503 CG HIS A 129 2.014 8.856 9.588 1.00 0.55 C ATOM 1504 ND1 HIS A 129 0.819 8.366 10.076 1.00 0.53 N ATOM 1505 CD2 HIS A 129 2.917 8.781 10.603 1.00 0.61 C ATOM 1506 CE1 HIS A 129 1.027 7.968 11.342 1.00 0.57 C ATOM 1507 NE2 HIS A 129 2.295 8.208 11.718 1.00 0.62 N ATOM 0 H HIS A 129 2.390 10.307 5.911 1.00 0.54 H new ATOM 0 HA HIS A 129 0.280 9.944 7.648 1.00 0.56 H new ATOM 0 HB2 HIS A 129 2.441 8.610 7.522 1.00 0.53 H new ATOM 0 HB3 HIS A 129 3.282 9.948 8.280 1.00 0.53 H new ATOM 0 HD2 HIS A 129 3.945 9.110 10.556 1.00 0.61 H new ATOM 0 HE1 HIS A 129 0.276 7.516 11.973 1.00 0.57 H new ATOM 0 HE2 HIS A 129 2.716 8.013 12.626 1.00 0.62 H new ATOM 1515 N GLN A 130 2.394 12.313 8.483 1.00 0.68 N ATOM 1516 CA GLN A 130 2.932 13.207 9.472 1.00 0.77 C ATOM 1517 C GLN A 130 2.359 14.618 9.250 1.00 0.84 C ATOM 1518 O GLN A 130 2.092 15.336 10.211 1.00 1.00 O ATOM 1519 CB GLN A 130 4.453 13.049 9.430 1.00 0.77 C ATOM 1520 CG GLN A 130 4.914 11.597 9.547 1.00 0.73 C ATOM 1521 CD GLN A 130 6.251 11.401 10.262 1.00 0.84 C ATOM 1522 OE1 GLN A 130 6.381 10.599 11.181 1.00 1.23 O ATOM 1523 NE2 GLN A 130 7.299 12.084 9.861 1.00 0.90 N ATOM 0 H GLN A 130 2.943 12.293 7.624 1.00 0.68 H new ATOM 0 HA GLN A 130 2.637 12.979 10.496 1.00 0.77 H new ATOM 0 HB2 GLN A 130 4.829 13.468 8.497 1.00 0.77 H new ATOM 0 HB3 GLN A 130 4.894 13.629 10.241 1.00 0.77 H new ATOM 0 HG2 GLN A 130 4.149 11.030 10.077 1.00 0.73 H new ATOM 0 HG3 GLN A 130 4.989 11.173 8.546 1.00 0.73 H new ATOM 0 HE21 GLN A 130 7.209 12.755 9.098 1.00 0.90 H new ATOM 0 HE22 GLN A 130 8.203 11.943 10.312 1.00 0.90 H new ATOM 1532 N ASN A 131 2.011 14.941 7.996 1.00 0.79 N ATOM 1533 CA ASN A 131 1.079 15.994 7.632 1.00 0.88 C ATOM 1534 C ASN A 131 -0.387 15.659 7.990 1.00 1.03 C ATOM 1535 O ASN A 131 -1.123 16.550 8.418 1.00 1.25 O ATOM 1536 CB ASN A 131 1.269 16.172 6.134 1.00 0.88 C ATOM 1537 CG ASN A 131 0.465 17.302 5.548 1.00 1.18 C ATOM 1538 OD1 ASN A 131 -0.105 18.151 6.220 1.00 2.44 O ATOM 1539 ND2 ASN A 131 0.395 17.350 4.252 1.00 0.96 N ATOM 0 H ASN A 131 2.390 14.452 7.185 1.00 0.79 H new ATOM 0 HA ASN A 131 1.281 16.908 8.190 1.00 0.88 H new ATOM 0 HB2 ASN A 131 2.325 16.346 5.930 1.00 0.88 H new ATOM 0 HB3 ASN A 131 0.996 15.245 5.630 1.00 0.88 H new ATOM 0 HD21 ASN A 131 -0.134 18.094 3.797 1.00 0.96 H new ATOM 0 HD22 ASN A 131 0.869 16.644 3.689 1.00 0.96 H new ATOM 1546 N GLY A 132 -0.819 14.392 7.887 1.00 0.96 N ATOM 1547 CA GLY A 132 -2.218 14.002 8.127 1.00 0.91 C ATOM 1548 C GLY A 132 -3.064 14.017 6.845 1.00 0.85 C ATOM 1549 O GLY A 132 -4.284 14.118 6.889 1.00 0.84 O ATOM 0 H GLY A 132 -0.211 13.612 7.636 1.00 0.96 H new ATOM 0 HA2 GLY A 132 -2.243 13.003 8.563 1.00 0.91 H new ATOM 0 HA3 GLY A 132 -2.660 14.680 8.857 1.00 0.91 H new ATOM 1553 N ASP A 133 -2.406 13.894 5.695 1.00 0.89 N ATOM 1554 CA ASP A 133 -2.942 13.843 4.325 1.00 0.85 C ATOM 1555 C ASP A 133 -3.526 12.456 3.992 1.00 0.68 C ATOM 1556 O ASP A 133 -4.323 12.304 3.067 1.00 0.71 O ATOM 1557 CB ASP A 133 -1.725 14.153 3.426 1.00 1.20 C ATOM 1558 CG ASP A 133 -1.969 14.871 2.093 1.00 1.13 C ATOM 1559 OD1 ASP A 133 -3.132 15.157 1.727 1.00 1.74 O ATOM 1560 OD2 ASP A 133 -0.965 15.153 1.393 1.00 2.45 O ATOM 0 H ASP A 133 -1.389 13.820 5.691 1.00 0.89 H new ATOM 0 HA ASP A 133 -3.762 14.548 4.184 1.00 0.85 H new ATOM 0 HB2 ASP A 133 -1.028 14.758 4.007 1.00 1.20 H new ATOM 0 HB3 ASP A 133 -1.224 13.210 3.209 1.00 1.20 H new ATOM 1565 N LEU A 134 -3.163 11.440 4.787 1.00 0.58 N ATOM 1566 CA LEU A 134 -3.730 10.082 4.694 1.00 0.49 C ATOM 1567 C LEU A 134 -5.156 10.058 5.225 1.00 0.42 C ATOM 1568 O LEU A 134 -5.981 9.243 4.836 1.00 0.39 O ATOM 1569 CB LEU A 134 -2.912 9.084 5.539 1.00 0.53 C ATOM 1570 CG LEU A 134 -1.439 8.942 5.153 1.00 0.64 C ATOM 1571 CD1 LEU A 134 -0.755 7.887 6.014 1.00 0.71 C ATOM 1572 CD2 LEU A 134 -1.268 8.548 3.693 1.00 0.66 C ATOM 0 H LEU A 134 -2.461 11.536 5.521 1.00 0.58 H new ATOM 0 HA LEU A 134 -3.706 9.799 3.642 1.00 0.49 H new ATOM 0 HB2 LEU A 134 -2.967 9.390 6.584 1.00 0.53 H new ATOM 0 HB3 LEU A 134 -3.384 8.104 5.468 1.00 0.53 H new ATOM 0 HG LEU A 134 -0.982 9.918 5.314 1.00 0.64 H new ATOM 0 HD11 LEU A 134 0.292 7.802 5.723 1.00 0.71 H new ATOM 0 HD12 LEU A 134 -0.817 8.177 7.063 1.00 0.71 H new ATOM 0 HD13 LEU A 134 -1.250 6.926 5.873 1.00 0.71 H new ATOM 0 HD21 LEU A 134 -0.206 8.458 3.462 1.00 0.66 H new ATOM 0 HD22 LEU A 134 -1.760 7.592 3.514 1.00 0.66 H new ATOM 0 HD23 LEU A 134 -1.715 9.311 3.056 1.00 0.66 H new ATOM 1584 N VAL A 135 -5.423 10.963 6.152 1.00 0.45 N ATOM 1585 CA VAL A 135 -6.610 10.997 6.994 1.00 0.42 C ATOM 1586 C VAL A 135 -7.799 11.515 6.195 1.00 0.45 C ATOM 1587 O VAL A 135 -8.918 11.034 6.357 1.00 0.52 O ATOM 1588 CB VAL A 135 -6.298 11.883 8.203 1.00 0.47 C ATOM 1589 CG1 VAL A 135 -7.264 11.620 9.329 1.00 0.48 C ATOM 1590 CG2 VAL A 135 -4.964 11.445 8.805 1.00 0.50 C ATOM 0 H VAL A 135 -4.785 11.734 6.349 1.00 0.45 H new ATOM 0 HA VAL A 135 -6.876 9.999 7.343 1.00 0.42 H new ATOM 0 HB VAL A 135 -6.326 12.915 7.854 1.00 0.47 H new ATOM 0 HG11 VAL A 135 -7.020 12.262 10.175 1.00 0.48 H new ATOM 0 HG12 VAL A 135 -8.280 11.831 8.994 1.00 0.48 H new ATOM 0 HG13 VAL A 135 -7.192 10.576 9.634 1.00 0.48 H new ATOM 0 HG21 VAL A 135 -4.731 12.070 9.667 1.00 0.50 H new ATOM 0 HG22 VAL A 135 -5.031 10.403 9.119 1.00 0.50 H new ATOM 0 HG23 VAL A 135 -4.176 11.549 8.059 1.00 0.50 H new ATOM 1600 N GLU A 136 -7.514 12.425 5.261 1.00 0.46 N ATOM 1601 CA GLU A 136 -8.444 12.957 4.270 1.00 0.53 C ATOM 1602 C GLU A 136 -8.680 11.908 3.165 1.00 0.53 C ATOM 1603 O GLU A 136 -9.818 11.609 2.809 1.00 0.59 O ATOM 1604 CB GLU A 136 -7.847 14.263 3.710 1.00 0.73 C ATOM 1605 CG GLU A 136 -7.384 15.282 4.769 1.00 1.25 C ATOM 1606 CD GLU A 136 -8.488 15.777 5.716 1.00 1.68 C ATOM 1607 OE1 GLU A 136 -8.695 15.174 6.796 1.00 2.58 O ATOM 1608 OE2 GLU A 136 -9.114 16.830 5.431 1.00 2.39 O ATOM 0 H GLU A 136 -6.582 12.829 5.173 1.00 0.46 H new ATOM 0 HA GLU A 136 -9.414 13.177 4.716 1.00 0.53 H new ATOM 0 HB2 GLU A 136 -6.997 14.012 3.075 1.00 0.73 H new ATOM 0 HB3 GLU A 136 -8.592 14.739 3.072 1.00 0.73 H new ATOM 0 HG2 GLU A 136 -6.590 14.830 5.364 1.00 1.25 H new ATOM 0 HG3 GLU A 136 -6.950 16.142 4.259 1.00 1.25 H new ATOM 1615 N GLU A 137 -7.608 11.238 2.718 1.00 0.56 N ATOM 1616 CA GLU A 137 -7.688 10.124 1.762 1.00 0.62 C ATOM 1617 C GLU A 137 -8.534 8.952 2.303 1.00 0.58 C ATOM 1618 O GLU A 137 -9.300 8.344 1.554 1.00 0.70 O ATOM 1619 CB GLU A 137 -6.263 9.666 1.389 1.00 0.68 C ATOM 1620 CG GLU A 137 -6.187 8.767 0.138 1.00 0.81 C ATOM 1621 CD GLU A 137 -6.688 9.425 -1.160 1.00 0.67 C ATOM 1622 OE1 GLU A 137 -6.130 10.470 -1.577 1.00 1.37 O ATOM 1623 OE2 GLU A 137 -7.640 8.896 -1.784 1.00 1.63 O ATOM 0 H GLU A 137 -6.655 11.455 3.011 1.00 0.56 H new ATOM 0 HA GLU A 137 -8.196 10.477 0.865 1.00 0.62 H new ATOM 0 HB2 GLU A 137 -5.643 10.547 1.226 1.00 0.68 H new ATOM 0 HB3 GLU A 137 -5.835 9.127 2.235 1.00 0.68 H new ATOM 0 HG2 GLU A 137 -5.153 8.454 -0.005 1.00 0.81 H new ATOM 0 HG3 GLU A 137 -6.771 7.865 0.320 1.00 0.81 H new ATOM 1630 N LEU A 138 -8.465 8.669 3.608 1.00 0.47 N ATOM 1631 CA LEU A 138 -9.307 7.682 4.289 1.00 0.47 C ATOM 1632 C LEU A 138 -10.780 8.132 4.344 1.00 0.53 C ATOM 1633 O LEU A 138 -11.674 7.324 4.078 1.00 0.62 O ATOM 1634 CB LEU A 138 -8.719 7.430 5.695 1.00 0.40 C ATOM 1635 CG LEU A 138 -7.465 6.530 5.720 1.00 0.37 C ATOM 1636 CD1 LEU A 138 -6.787 6.618 7.091 1.00 0.38 C ATOM 1637 CD2 LEU A 138 -7.791 5.059 5.466 1.00 0.40 C ATOM 0 H LEU A 138 -7.806 9.131 4.234 1.00 0.47 H new ATOM 0 HA LEU A 138 -9.306 6.747 3.729 1.00 0.47 H new ATOM 0 HB2 LEU A 138 -8.469 8.390 6.146 1.00 0.40 H new ATOM 0 HB3 LEU A 138 -9.488 6.975 6.319 1.00 0.40 H new ATOM 0 HG LEU A 138 -6.813 6.890 4.924 1.00 0.37 H new ATOM 0 HD11 LEU A 138 -5.903 5.980 7.101 1.00 0.38 H new ATOM 0 HD12 LEU A 138 -6.493 7.649 7.286 1.00 0.38 H new ATOM 0 HD13 LEU A 138 -7.482 6.287 7.863 1.00 0.38 H new ATOM 0 HD21 LEU A 138 -6.873 4.473 5.495 1.00 0.40 H new ATOM 0 HD22 LEU A 138 -8.475 4.700 6.235 1.00 0.40 H new ATOM 0 HD23 LEU A 138 -8.258 4.954 4.487 1.00 0.40 H new ATOM 1649 N LYS A 139 -11.058 9.419 4.601 1.00 0.52 N ATOM 1650 CA LYS A 139 -12.430 9.967 4.687 1.00 0.57 C ATOM 1651 C LYS A 139 -13.184 9.957 3.353 1.00 0.70 C ATOM 1652 O LYS A 139 -14.411 9.858 3.380 1.00 0.82 O ATOM 1653 CB LYS A 139 -12.404 11.389 5.267 1.00 0.66 C ATOM 1654 CG LYS A 139 -12.083 11.398 6.765 1.00 0.67 C ATOM 1655 CD LYS A 139 -11.685 12.813 7.195 1.00 0.58 C ATOM 1656 CE LYS A 139 -10.836 12.772 8.462 1.00 0.62 C ATOM 1657 NZ LYS A 139 -10.353 14.129 8.771 1.00 0.80 N ATOM 0 H LYS A 139 -10.333 10.119 4.757 1.00 0.52 H new ATOM 0 HA LYS A 139 -12.978 9.302 5.355 1.00 0.57 H new ATOM 0 HB2 LYS A 139 -11.661 11.983 4.735 1.00 0.66 H new ATOM 0 HB3 LYS A 139 -13.371 11.865 5.102 1.00 0.66 H new ATOM 0 HG2 LYS A 139 -12.950 11.064 7.335 1.00 0.67 H new ATOM 0 HG3 LYS A 139 -11.273 10.701 6.978 1.00 0.67 H new ATOM 0 HD2 LYS A 139 -11.128 13.299 6.394 1.00 0.58 H new ATOM 0 HD3 LYS A 139 -12.580 13.411 7.370 1.00 0.58 H new ATOM 0 HE2 LYS A 139 -11.424 12.385 9.294 1.00 0.62 H new ATOM 0 HE3 LYS A 139 -9.992 12.096 8.326 1.00 0.62 H new ATOM 0 HZ1 LYS A 139 -9.693 14.088 9.573 1.00 0.80 H new ATOM 0 HZ2 LYS A 139 -9.865 14.521 7.941 1.00 0.80 H new ATOM 0 HZ3 LYS A 139 -11.160 14.737 9.017 1.00 0.80 H new ATOM 1671 N LYS A 140 -12.504 9.940 2.199 1.00 0.73 N ATOM 1672 CA LYS A 140 -13.141 9.723 0.882 1.00 0.85 C ATOM 1673 C LYS A 140 -13.861 8.369 0.815 1.00 0.86 C ATOM 1674 O LYS A 140 -15.000 8.302 0.349 1.00 1.02 O ATOM 1675 CB LYS A 140 -12.090 9.824 -0.231 1.00 0.93 C ATOM 1676 CG LYS A 140 -11.567 11.254 -0.453 1.00 1.12 C ATOM 1677 CD LYS A 140 -10.316 11.277 -1.344 1.00 1.24 C ATOM 1678 CE LYS A 140 -10.535 10.579 -2.690 1.00 2.16 C ATOM 1679 NZ LYS A 140 -9.275 10.475 -3.457 1.00 2.44 N ATOM 0 H LYS A 140 -11.494 10.076 2.146 1.00 0.73 H new ATOM 0 HA LYS A 140 -13.892 10.500 0.741 1.00 0.85 H new ATOM 0 HB2 LYS A 140 -11.251 9.172 0.012 1.00 0.93 H new ATOM 0 HB3 LYS A 140 -12.521 9.455 -1.162 1.00 0.93 H new ATOM 0 HG2 LYS A 140 -12.349 11.859 -0.911 1.00 1.12 H new ATOM 0 HG3 LYS A 140 -11.335 11.709 0.510 1.00 1.12 H new ATOM 0 HD2 LYS A 140 -10.019 12.311 -1.520 1.00 1.24 H new ATOM 0 HD3 LYS A 140 -9.492 10.794 -0.819 1.00 1.24 H new ATOM 0 HE2 LYS A 140 -10.944 9.582 -2.522 1.00 2.16 H new ATOM 0 HE3 LYS A 140 -11.272 11.132 -3.272 1.00 2.16 H new ATOM 0 HZ1 LYS A 140 -9.461 10.013 -4.370 1.00 2.44 H new ATOM 0 HZ2 LYS A 140 -8.890 11.427 -3.623 1.00 2.44 H new ATOM 0 HZ3 LYS A 140 -8.586 9.912 -2.918 1.00 2.44 H new ATOM 1693 N LEU A 141 -13.240 7.318 1.363 1.00 0.82 N ATOM 1694 CA LEU A 141 -13.825 6.000 1.585 1.00 0.85 C ATOM 1695 C LEU A 141 -14.731 5.901 2.831 1.00 0.82 C ATOM 1696 O LEU A 141 -15.269 4.829 3.125 1.00 0.87 O ATOM 1697 CB LEU A 141 -12.664 5.001 1.670 1.00 0.87 C ATOM 1698 CG LEU A 141 -12.015 4.605 0.336 1.00 1.00 C ATOM 1699 CD1 LEU A 141 -10.971 3.518 0.583 1.00 1.66 C ATOM 1700 CD2 LEU A 141 -13.053 4.054 -0.636 1.00 2.35 C ATOM 0 H LEU A 141 -12.271 7.371 1.677 1.00 0.82 H new ATOM 0 HA LEU A 141 -14.494 5.780 0.753 1.00 0.85 H new ATOM 0 HB2 LEU A 141 -11.893 5.424 2.314 1.00 0.87 H new ATOM 0 HB3 LEU A 141 -13.025 4.096 2.158 1.00 0.87 H new ATOM 0 HG LEU A 141 -11.556 5.496 -0.094 1.00 1.00 H new ATOM 0 HD11 LEU A 141 -10.509 3.235 -0.363 1.00 1.66 H new ATOM 0 HD12 LEU A 141 -10.206 3.896 1.262 1.00 1.66 H new ATOM 0 HD13 LEU A 141 -11.452 2.646 1.027 1.00 1.66 H new ATOM 0 HD21 LEU A 141 -12.566 3.782 -1.572 1.00 2.35 H new ATOM 0 HD22 LEU A 141 -13.525 3.172 -0.203 1.00 2.35 H new ATOM 0 HD23 LEU A 141 -13.810 4.814 -0.829 1.00 2.35 H new ATOM 1712 N GLY A 142 -14.879 6.987 3.589 1.00 0.82 N ATOM 1713 CA GLY A 142 -15.560 7.004 4.884 1.00 0.84 C ATOM 1714 C GLY A 142 -14.783 6.295 5.999 1.00 0.75 C ATOM 1715 O GLY A 142 -15.361 6.027 7.050 1.00 0.81 O ATOM 0 H GLY A 142 -14.520 7.901 3.313 1.00 0.82 H new ATOM 0 HA2 GLY A 142 -15.737 8.039 5.178 1.00 0.84 H new ATOM 0 HA3 GLY A 142 -16.537 6.532 4.777 1.00 0.84 H new ATOM 1719 N ILE A 143 -13.501 5.962 5.796 1.00 0.69 N ATOM 1720 CA ILE A 143 -12.700 5.260 6.801 1.00 0.65 C ATOM 1721 C ILE A 143 -12.259 6.226 7.905 1.00 0.50 C ATOM 1722 O ILE A 143 -11.749 7.324 7.661 1.00 0.46 O ATOM 1723 CB ILE A 143 -11.500 4.472 6.221 1.00 0.69 C ATOM 1724 CG1 ILE A 143 -11.925 3.477 5.117 1.00 0.87 C ATOM 1725 CG2 ILE A 143 -10.826 3.730 7.400 1.00 0.72 C ATOM 1726 CD1 ILE A 143 -10.764 2.821 4.348 1.00 0.90 C ATOM 0 H ILE A 143 -12.995 6.171 4.935 1.00 0.69 H new ATOM 0 HA ILE A 143 -13.352 4.500 7.231 1.00 0.65 H new ATOM 0 HB ILE A 143 -10.807 5.165 5.745 1.00 0.69 H new ATOM 0 HG12 ILE A 143 -12.530 2.692 5.570 1.00 0.87 H new ATOM 0 HG13 ILE A 143 -12.563 4.000 4.404 1.00 0.87 H new ATOM 0 HG21 ILE A 143 -9.973 3.161 7.031 1.00 0.72 H new ATOM 0 HG22 ILE A 143 -10.487 4.455 8.140 1.00 0.72 H new ATOM 0 HG23 ILE A 143 -11.544 3.051 7.860 1.00 0.72 H new ATOM 0 HD11 ILE A 143 -11.164 2.141 3.596 1.00 0.90 H new ATOM 0 HD12 ILE A 143 -10.169 3.593 3.859 1.00 0.90 H new ATOM 0 HD13 ILE A 143 -10.135 2.265 5.043 1.00 0.90 H new ATOM 1738 N HIS A 144 -12.416 5.758 9.136 1.00 0.56 N ATOM 1739 CA HIS A 144 -12.116 6.451 10.378 1.00 0.55 C ATOM 1740 C HIS A 144 -10.688 6.158 10.836 1.00 0.49 C ATOM 1741 O HIS A 144 -10.409 5.093 11.382 1.00 0.56 O ATOM 1742 CB HIS A 144 -13.162 5.937 11.369 1.00 0.85 C ATOM 1743 CG HIS A 144 -13.325 6.694 12.663 1.00 1.10 C ATOM 1744 ND1 HIS A 144 -14.487 7.292 13.087 1.00 1.77 N ATOM 1745 CD2 HIS A 144 -12.446 6.738 13.713 1.00 1.08 C ATOM 1746 CE1 HIS A 144 -14.324 7.687 14.356 1.00 1.98 C ATOM 1747 NE2 HIS A 144 -13.093 7.358 14.794 1.00 1.50 N ATOM 0 H HIS A 144 -12.781 4.820 9.302 1.00 0.56 H new ATOM 0 HA HIS A 144 -12.164 7.535 10.278 1.00 0.55 H new ATOM 0 HB2 HIS A 144 -14.127 5.924 10.863 1.00 0.85 H new ATOM 0 HB3 HIS A 144 -12.916 4.903 11.612 1.00 0.85 H new ATOM 0 HD2 HIS A 144 -11.434 6.362 13.710 1.00 1.08 H new ATOM 0 HE1 HIS A 144 -15.073 8.197 14.945 1.00 1.98 H new ATOM 0 HE2 HIS A 144 -12.708 7.526 15.724 1.00 1.50 H new ATOM 1755 N SER A 145 -9.765 7.097 10.639 1.00 0.45 N ATOM 1756 CA SER A 145 -8.450 7.040 11.276 1.00 0.48 C ATOM 1757 C SER A 145 -8.584 6.978 12.803 1.00 0.54 C ATOM 1758 O SER A 145 -9.201 7.817 13.430 1.00 0.62 O ATOM 1759 CB SER A 145 -7.643 8.263 10.827 1.00 0.46 C ATOM 1760 OG SER A 145 -6.581 8.528 11.718 1.00 0.52 O ATOM 0 H SER A 145 -9.904 7.911 10.040 1.00 0.45 H new ATOM 0 HA SER A 145 -7.926 6.133 10.972 1.00 0.48 H new ATOM 0 HB2 SER A 145 -7.247 8.093 9.826 1.00 0.46 H new ATOM 0 HB3 SER A 145 -8.298 9.133 10.768 1.00 0.46 H new ATOM 0 HG SER A 145 -5.728 8.454 11.241 1.00 0.52 H new ATOM 1766 N ALA A 146 -7.959 6.008 13.450 1.00 0.56 N ATOM 1767 CA ALA A 146 -7.911 5.891 14.908 1.00 0.60 C ATOM 1768 C ALA A 146 -7.226 7.102 15.585 1.00 0.62 C ATOM 1769 O ALA A 146 -7.456 7.361 16.769 1.00 0.77 O ATOM 1770 CB ALA A 146 -7.220 4.567 15.238 1.00 0.59 C ATOM 0 H ALA A 146 -7.458 5.260 12.970 1.00 0.56 H new ATOM 0 HA ALA A 146 -8.924 5.895 15.311 1.00 0.60 H new ATOM 0 HB1 ALA A 146 -7.166 4.445 16.320 1.00 0.59 H new ATOM 0 HB2 ALA A 146 -7.789 3.743 14.808 1.00 0.59 H new ATOM 0 HB3 ALA A 146 -6.212 4.569 14.822 1.00 0.59 H new ATOM 1776 N LEU A 147 -6.431 7.879 14.830 1.00 0.58 N ATOM 1777 CA LEU A 147 -5.773 9.099 15.248 1.00 0.62 C ATOM 1778 C LEU A 147 -6.698 10.331 15.250 1.00 0.66 C ATOM 1779 O LEU A 147 -6.274 11.409 15.669 1.00 0.78 O ATOM 1780 CB LEU A 147 -4.542 9.284 14.349 1.00 0.60 C ATOM 1781 CG LEU A 147 -3.568 8.103 14.199 1.00 0.65 C ATOM 1782 CD1 LEU A 147 -2.251 8.563 13.576 1.00 0.74 C ATOM 1783 CD2 LEU A 147 -3.250 7.471 15.541 1.00 0.72 C ATOM 0 H LEU A 147 -6.228 7.647 13.858 1.00 0.58 H new ATOM 0 HA LEU A 147 -5.470 9.006 16.291 1.00 0.62 H new ATOM 0 HB2 LEU A 147 -4.894 9.554 13.353 1.00 0.60 H new ATOM 0 HB3 LEU A 147 -3.977 10.135 14.729 1.00 0.60 H new ATOM 0 HG LEU A 147 -4.059 7.373 13.556 1.00 0.65 H new ATOM 0 HD11 LEU A 147 -1.577 7.712 13.479 1.00 0.74 H new ATOM 0 HD12 LEU A 147 -2.443 8.987 12.591 1.00 0.74 H new ATOM 0 HD13 LEU A 147 -1.792 9.319 14.213 1.00 0.74 H new ATOM 0 HD21 LEU A 147 -2.559 6.640 15.397 1.00 0.72 H new ATOM 0 HD22 LEU A 147 -2.793 8.214 16.194 1.00 0.72 H new ATOM 0 HD23 LEU A 147 -4.169 7.104 15.997 1.00 0.72 H new ATOM 1795 N LEU A 148 -7.970 10.178 14.849 1.00 0.66 N ATOM 1796 CA LEU A 148 -9.027 11.176 15.007 1.00 0.72 C ATOM 1797 C LEU A 148 -9.120 11.687 16.462 1.00 0.84 C ATOM 1798 O LEU A 148 -9.370 12.872 16.693 1.00 1.13 O ATOM 1799 CB LEU A 148 -10.368 10.566 14.538 1.00 0.83 C ATOM 1800 CG LEU A 148 -10.794 11.047 13.129 1.00 1.13 C ATOM 1801 CD1 LEU A 148 -10.316 10.131 12.040 1.00 2.08 C ATOM 1802 CD2 LEU A 148 -12.306 11.213 12.987 1.00 2.55 C ATOM 0 H LEU A 148 -8.296 9.327 14.392 1.00 0.66 H new ATOM 0 HA LEU A 148 -8.789 12.043 14.391 1.00 0.72 H new ATOM 0 HB2 LEU A 148 -10.285 9.479 14.535 1.00 0.83 H new ATOM 0 HB3 LEU A 148 -11.148 10.824 15.255 1.00 0.83 H new ATOM 0 HG LEU A 148 -10.319 12.022 13.019 1.00 1.13 H new ATOM 0 HD11 LEU A 148 -10.642 10.514 11.073 1.00 2.08 H new ATOM 0 HD12 LEU A 148 -9.228 10.078 12.061 1.00 2.08 H new ATOM 0 HD13 LEU A 148 -10.731 9.135 12.194 1.00 2.08 H new ATOM 0 HD21 LEU A 148 -12.542 11.552 11.978 1.00 2.55 H new ATOM 0 HD22 LEU A 148 -12.796 10.257 13.172 1.00 2.55 H new ATOM 0 HD23 LEU A 148 -12.661 11.949 13.709 1.00 2.55 H new ATOM 1814 N ASP A 149 -8.827 10.821 17.439 1.00 0.96 N ATOM 1815 CA ASP A 149 -8.830 11.123 18.879 1.00 1.45 C ATOM 1816 C ASP A 149 -7.449 11.475 19.470 1.00 1.65 C ATOM 1817 O ASP A 149 -7.204 11.308 20.665 1.00 2.09 O ATOM 1818 CB ASP A 149 -9.555 9.995 19.625 1.00 1.92 C ATOM 1819 CG ASP A 149 -10.077 10.426 21.003 1.00 2.64 C ATOM 1820 OD1 ASP A 149 -10.864 11.406 21.079 1.00 2.74 O ATOM 1821 OD2 ASP A 149 -9.748 9.777 22.026 1.00 3.61 O ATOM 0 H ASP A 149 -8.571 9.853 17.243 1.00 0.96 H new ATOM 0 HA ASP A 149 -9.383 12.051 19.022 1.00 1.45 H new ATOM 0 HB2 ASP A 149 -10.391 9.645 19.019 1.00 1.92 H new ATOM 0 HB3 ASP A 149 -8.875 9.152 19.748 1.00 1.92 H new ATOM 1826 N GLU A 150 -6.539 11.965 18.630 1.00 1.59 N ATOM 1827 CA GLU A 150 -5.280 12.647 18.988 1.00 2.14 C ATOM 1828 C GLU A 150 -4.879 13.733 17.971 1.00 3.19 C ATOM 1829 O GLU A 150 -3.718 13.749 17.502 1.00 4.55 O ATOM 1830 CB GLU A 150 -4.179 11.604 19.279 1.00 2.26 C ATOM 1831 CG GLU A 150 -3.874 10.586 18.164 1.00 2.72 C ATOM 1832 CD GLU A 150 -2.550 9.842 18.419 1.00 3.26 C ATOM 1833 OE1 GLU A 150 -1.463 10.448 18.222 1.00 3.71 O ATOM 1834 OE2 GLU A 150 -2.559 8.640 18.795 1.00 4.02 O ATOM 0 H GLU A 150 -6.661 11.896 17.620 1.00 1.59 H new ATOM 0 HA GLU A 150 -5.435 13.206 19.911 1.00 2.14 H new ATOM 0 HB2 GLU A 150 -3.258 12.138 19.512 1.00 2.26 H new ATOM 0 HB3 GLU A 150 -4.463 11.052 20.175 1.00 2.26 H new ATOM 0 HG2 GLU A 150 -4.689 9.866 18.096 1.00 2.72 H new ATOM 0 HG3 GLU A 150 -3.823 11.101 17.205 1.00 2.72 H new