USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 124 TYR OH : rot 22:sc= 1.45 USER MOD Set 1.2: A 128 TYR OH : rot -143:sc= 0.654 USER MOD Set 1.3: A 165 GLN : amide:sc= -1.12 K(o=-0.67,f=0.82) USER MOD Set 1.4: A 168 HIS : no HD1:sc= -1.65 K(o=-0.67,f=-7.9!) USER MOD Set 2.1: A 119 HIS : no HE2:sc= -2.76! K(o=-5.2!,f=-3.8) USER MOD Set 2.2: A 120 HIS : no HE2:sc= -2.46! C(o=-5.2!,f=-9.3!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.12) USER MOD Single : A 127 GLN : amide:sc= 0.881 K(o=0.88,f=-0.19) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 140:sc= -0.1 (180deg=-0.434) USER MOD Single : A 152 THR OG1 : rot -131:sc= -3.06! USER MOD Single : A 156 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.17) USER MOD Single : A 158 SER OG : rot 180:sc= -1.55! USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= 0.402 K(o=0.4,f=-0.43) USER MOD Single : A 173 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=-0.026) USER MOD Single : A 174 ASN : amide:sc= -0.0864 K(o=-0.086,f=-4.2!) USER MOD Single : A 175 CYS SG : rot -33:sc= -0.816 USER MOD Single : A 179 LYS NZ :NH3+ -165:sc= -3.46! (180deg=-4.04!) USER MOD Single : A 182 SER OG : rot 180:sc= 0.0791 USER MOD Single : A 183 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0147) USER MOD Single : A 184 GLN : amide:sc= -0.198 K(o=-0.2,f=-0.73) USER MOD Single : A 186 MET CE :methyl 155:sc= -0.248 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.072 -14.204 5.172 1.00 44.33 N ATOM 137 CA VAL A 104 19.881 -13.973 4.382 1.00 61.32 C ATOM 138 C VAL A 104 20.194 -14.165 2.902 1.00 42.54 C ATOM 139 O VAL A 104 21.242 -13.749 2.421 1.00 43.21 O ATOM 140 CB VAL A 104 19.285 -12.568 4.650 1.00 40.22 C ATOM 141 CG1 VAL A 104 20.156 -11.463 4.076 1.00 21.44 C ATOM 142 CG2 VAL A 104 17.866 -12.471 4.118 1.00 45.23 C ATOM 0 HA VAL A 104 19.126 -14.702 4.678 1.00 61.32 H new ATOM 0 HB VAL A 104 19.257 -12.429 5.731 1.00 40.22 H new ATOM 0 HG11 VAL A 104 19.701 -10.495 4.286 1.00 21.44 H new ATOM 0 HG12 VAL A 104 21.145 -11.506 4.531 1.00 21.44 H new ATOM 0 HG13 VAL A 104 20.247 -11.594 2.998 1.00 21.44 H new ATOM 0 HG21 VAL A 104 17.470 -11.476 4.318 1.00 45.23 H new ATOM 0 HG22 VAL A 104 17.867 -12.652 3.043 1.00 45.23 H new ATOM 0 HG23 VAL A 104 17.241 -13.216 4.610 1.00 45.23 H new ATOM 152 N LYS A 105 19.304 -14.841 2.196 1.00 71.30 N ATOM 153 CA LYS A 105 19.514 -15.127 0.782 1.00 1.30 C ATOM 154 C LYS A 105 18.378 -14.572 -0.060 1.00 63.25 C ATOM 155 O LYS A 105 18.165 -14.985 -1.196 1.00 61.44 O ATOM 156 CB LYS A 105 19.667 -16.631 0.575 1.00 65.14 C ATOM 157 CG LYS A 105 21.053 -17.137 0.934 1.00 1.43 C ATOM 158 CD LYS A 105 21.013 -18.547 1.488 1.00 21.23 C ATOM 159 CE LYS A 105 20.411 -18.573 2.883 1.00 54.21 C ATOM 160 NZ LYS A 105 20.387 -19.945 3.450 1.00 15.44 N ATOM 0 H LYS A 105 18.429 -15.203 2.576 1.00 71.30 H new ATOM 0 HA LYS A 105 20.431 -14.636 0.458 1.00 1.30 H new ATOM 0 HB2 LYS A 105 18.926 -17.154 1.181 1.00 65.14 H new ATOM 0 HB3 LYS A 105 19.455 -16.873 -0.467 1.00 65.14 H new ATOM 0 HG2 LYS A 105 21.689 -17.112 0.049 1.00 1.43 H new ATOM 0 HG3 LYS A 105 21.504 -16.471 1.669 1.00 1.43 H new ATOM 0 HD2 LYS A 105 20.428 -19.185 0.825 1.00 21.23 H new ATOM 0 HD3 LYS A 105 22.022 -18.958 1.517 1.00 21.23 H new ATOM 0 HE2 LYS A 105 20.986 -17.919 3.539 1.00 54.21 H new ATOM 0 HE3 LYS A 105 19.396 -18.177 2.848 1.00 54.21 H new ATOM 0 HZ1 LYS A 105 19.969 -19.920 4.402 1.00 15.44 H new ATOM 0 HZ2 LYS A 105 19.817 -20.564 2.838 1.00 15.44 H new ATOM 0 HZ3 LYS A 105 21.358 -20.314 3.508 1.00 15.44 H new ATOM 174 N LYS A 106 17.666 -13.621 0.509 1.00 30.32 N ATOM 175 CA LYS A 106 16.626 -12.904 -0.199 1.00 54.41 C ATOM 176 C LYS A 106 16.508 -11.505 0.381 1.00 13.13 C ATOM 177 O LYS A 106 16.575 -11.324 1.595 1.00 4.44 O ATOM 178 CB LYS A 106 15.288 -13.652 -0.112 1.00 62.34 C ATOM 179 CG LYS A 106 14.127 -12.917 -0.771 1.00 4.01 C ATOM 180 CD LYS A 106 13.039 -13.873 -1.238 1.00 24.13 C ATOM 181 CE LYS A 106 12.391 -14.622 -0.088 1.00 73.23 C ATOM 182 NZ LYS A 106 11.454 -15.668 -0.574 1.00 14.10 N ATOM 0 H LYS A 106 17.792 -13.323 1.476 1.00 30.32 H new ATOM 0 HA LYS A 106 16.889 -12.834 -1.255 1.00 54.41 H new ATOM 0 HB2 LYS A 106 15.399 -14.630 -0.580 1.00 62.34 H new ATOM 0 HB3 LYS A 106 15.047 -13.826 0.937 1.00 62.34 H new ATOM 0 HG2 LYS A 106 13.703 -12.202 -0.066 1.00 4.01 H new ATOM 0 HG3 LYS A 106 14.496 -12.345 -1.622 1.00 4.01 H new ATOM 0 HD2 LYS A 106 12.276 -13.313 -1.779 1.00 24.13 H new ATOM 0 HD3 LYS A 106 13.466 -14.590 -1.939 1.00 24.13 H new ATOM 0 HE2 LYS A 106 13.163 -15.083 0.528 1.00 73.23 H new ATOM 0 HE3 LYS A 106 11.854 -13.919 0.548 1.00 73.23 H new ATOM 0 HZ1 LYS A 106 11.056 -16.182 0.238 1.00 14.10 H new ATOM 0 HZ2 LYS A 106 10.684 -15.222 -1.113 1.00 14.10 H new ATOM 0 HZ3 LYS A 106 11.965 -16.334 -1.188 1.00 14.10 H new ATOM 196 N ILE A 107 16.375 -10.514 -0.479 1.00 24.32 N ATOM 197 CA ILE A 107 16.254 -9.142 -0.023 1.00 20.31 C ATOM 198 C ILE A 107 14.841 -8.623 -0.272 1.00 2.45 C ATOM 199 O ILE A 107 14.138 -9.102 -1.164 1.00 34.52 O ATOM 200 CB ILE A 107 17.276 -8.211 -0.710 1.00 61.00 C ATOM 201 CG1 ILE A 107 16.909 -8.016 -2.173 1.00 31.20 C ATOM 202 CG2 ILE A 107 18.684 -8.781 -0.583 1.00 33.51 C ATOM 203 CD1 ILE A 107 17.166 -6.616 -2.652 1.00 24.24 C ATOM 0 H ILE A 107 16.348 -10.631 -1.492 1.00 24.32 H new ATOM 0 HA ILE A 107 16.464 -9.139 1.047 1.00 20.31 H new ATOM 0 HB ILE A 107 17.253 -7.241 -0.214 1.00 61.00 H new ATOM 0 HG12 ILE A 107 17.480 -8.715 -2.783 1.00 31.20 H new ATOM 0 HG13 ILE A 107 15.855 -8.257 -2.315 1.00 31.20 H new ATOM 0 HG21 ILE A 107 19.393 -8.113 -1.072 1.00 33.51 H new ATOM 0 HG22 ILE A 107 18.944 -8.877 0.471 1.00 33.51 H new ATOM 0 HG23 ILE A 107 18.724 -9.762 -1.057 1.00 33.51 H new ATOM 0 HD11 ILE A 107 16.886 -6.534 -3.702 1.00 24.24 H new ATOM 0 HD12 ILE A 107 16.574 -5.915 -2.063 1.00 24.24 H new ATOM 0 HD13 ILE A 107 18.224 -6.381 -2.539 1.00 24.24 H new ATOM 215 N PHE A 108 14.436 -7.654 0.530 1.00 4.34 N ATOM 216 CA PHE A 108 13.116 -7.055 0.420 1.00 11.02 C ATOM 217 C PHE A 108 13.208 -5.722 -0.309 1.00 20.42 C ATOM 218 O PHE A 108 13.917 -4.824 0.132 1.00 33.11 O ATOM 219 CB PHE A 108 12.514 -6.857 1.817 1.00 34.11 C ATOM 220 CG PHE A 108 11.242 -6.055 1.832 1.00 23.20 C ATOM 221 CD1 PHE A 108 10.045 -6.621 1.431 1.00 24.12 C ATOM 222 CD2 PHE A 108 11.246 -4.733 2.250 1.00 73.13 C ATOM 223 CE1 PHE A 108 8.876 -5.886 1.448 1.00 64.33 C ATOM 224 CE2 PHE A 108 10.079 -3.993 2.268 1.00 72.41 C ATOM 225 CZ PHE A 108 8.892 -4.570 1.866 1.00 51.03 C ATOM 0 H PHE A 108 15.011 -7.260 1.275 1.00 4.34 H new ATOM 0 HA PHE A 108 12.469 -7.721 -0.150 1.00 11.02 H new ATOM 0 HB2 PHE A 108 12.319 -7.834 2.258 1.00 34.11 H new ATOM 0 HB3 PHE A 108 13.250 -6.362 2.451 1.00 34.11 H new ATOM 0 HD1 PHE A 108 10.025 -7.649 1.101 1.00 24.12 H new ATOM 0 HD2 PHE A 108 12.172 -4.276 2.565 1.00 73.13 H new ATOM 0 HE1 PHE A 108 7.948 -6.341 1.134 1.00 64.33 H new ATOM 0 HE2 PHE A 108 10.096 -2.964 2.596 1.00 72.41 H new ATOM 0 HZ PHE A 108 7.978 -3.994 1.878 1.00 51.03 H new ATOM 235 N VAL A 109 12.505 -5.604 -1.424 1.00 53.41 N ATOM 236 CA VAL A 109 12.495 -4.366 -2.192 1.00 42.30 C ATOM 237 C VAL A 109 11.154 -3.656 -2.039 1.00 1.24 C ATOM 238 O VAL A 109 10.119 -4.160 -2.483 1.00 41.21 O ATOM 239 CB VAL A 109 12.766 -4.626 -3.690 1.00 73.51 C ATOM 240 CG1 VAL A 109 12.830 -3.318 -4.464 1.00 70.23 C ATOM 241 CG2 VAL A 109 14.049 -5.418 -3.875 1.00 64.32 C ATOM 0 H VAL A 109 11.933 -6.350 -1.819 1.00 53.41 H new ATOM 0 HA VAL A 109 13.292 -3.734 -1.800 1.00 42.30 H new ATOM 0 HB VAL A 109 11.939 -5.216 -4.085 1.00 73.51 H new ATOM 0 HG11 VAL A 109 13.022 -3.527 -5.516 1.00 70.23 H new ATOM 0 HG12 VAL A 109 11.881 -2.790 -4.366 1.00 70.23 H new ATOM 0 HG13 VAL A 109 13.633 -2.698 -4.065 1.00 70.23 H new ATOM 0 HG21 VAL A 109 14.220 -5.590 -4.938 1.00 64.32 H new ATOM 0 HG22 VAL A 109 14.886 -4.857 -3.458 1.00 64.32 H new ATOM 0 HG23 VAL A 109 13.963 -6.376 -3.362 1.00 64.32 H new ATOM 251 N GLY A 110 11.174 -2.495 -1.403 1.00 2.20 N ATOM 252 CA GLY A 110 9.952 -1.747 -1.193 1.00 73.02 C ATOM 253 C GLY A 110 10.062 -0.309 -1.659 1.00 64.12 C ATOM 254 O GLY A 110 11.160 0.246 -1.734 1.00 62.25 O ATOM 0 H GLY A 110 12.015 -2.057 -1.028 1.00 2.20 H new ATOM 0 HA2 GLY A 110 9.135 -2.236 -1.724 1.00 73.02 H new ATOM 0 HA3 GLY A 110 9.698 -1.763 -0.133 1.00 73.02 H new ATOM 347 N GLU A 117 9.330 -4.595 -11.705 1.00 11.24 N ATOM 348 CA GLU A 117 9.026 -6.016 -11.836 1.00 23.12 C ATOM 349 C GLU A 117 10.302 -6.854 -11.768 1.00 52.13 C ATOM 350 O GLU A 117 11.374 -6.330 -11.469 1.00 61.34 O ATOM 351 CB GLU A 117 8.281 -6.273 -13.147 1.00 21.13 C ATOM 352 CG GLU A 117 9.151 -6.177 -14.382 1.00 43.43 C ATOM 353 CD GLU A 117 8.341 -6.140 -15.658 1.00 71.21 C ATOM 354 OE1 GLU A 117 8.295 -7.164 -16.369 1.00 62.01 O ATOM 355 OE2 GLU A 117 7.739 -5.087 -15.950 1.00 33.03 O ATOM 0 HA GLU A 117 8.386 -6.312 -11.005 1.00 23.12 H new ATOM 0 HB2 GLU A 117 7.832 -7.265 -13.109 1.00 21.13 H new ATOM 0 HB3 GLU A 117 7.464 -5.557 -13.235 1.00 21.13 H new ATOM 0 HG2 GLU A 117 9.767 -5.280 -14.320 1.00 43.43 H new ATOM 0 HG3 GLU A 117 9.831 -7.029 -14.411 1.00 43.43 H new ATOM 362 N GLU A 118 10.178 -8.147 -12.063 1.00 72.31 N ATOM 363 CA GLU A 118 11.284 -9.091 -11.917 1.00 23.41 C ATOM 364 C GLU A 118 12.524 -8.666 -12.698 1.00 45.41 C ATOM 365 O GLU A 118 13.615 -8.581 -12.126 1.00 72.41 O ATOM 366 CB GLU A 118 10.856 -10.500 -12.343 1.00 74.54 C ATOM 367 CG GLU A 118 12.026 -11.398 -12.719 1.00 50.01 C ATOM 368 CD GLU A 118 11.602 -12.753 -13.233 1.00 23.14 C ATOM 369 OE1 GLU A 118 10.669 -12.815 -14.056 1.00 31.02 O ATOM 370 OE2 GLU A 118 12.219 -13.762 -12.834 1.00 40.54 O ATOM 0 H GLU A 118 9.315 -8.567 -12.407 1.00 72.31 H new ATOM 0 HA GLU A 118 11.549 -9.097 -10.860 1.00 23.41 H new ATOM 0 HB2 GLU A 118 10.298 -10.964 -11.530 1.00 74.54 H new ATOM 0 HB3 GLU A 118 10.177 -10.425 -13.193 1.00 74.54 H new ATOM 0 HG2 GLU A 118 12.626 -10.900 -13.481 1.00 50.01 H new ATOM 0 HG3 GLU A 118 12.666 -11.533 -11.847 1.00 50.01 H new ATOM 377 N HIS A 119 12.362 -8.400 -13.992 1.00 22.01 N ATOM 378 CA HIS A 119 13.503 -8.074 -14.843 1.00 24.33 C ATOM 379 C HIS A 119 14.228 -6.838 -14.318 1.00 3.20 C ATOM 380 O HIS A 119 15.439 -6.712 -14.472 1.00 73.33 O ATOM 381 CB HIS A 119 13.071 -7.878 -16.310 1.00 54.31 C ATOM 382 CG HIS A 119 12.708 -6.469 -16.684 1.00 55.41 C ATOM 383 ND1 HIS A 119 13.609 -5.645 -17.317 1.00 74.34 N ATOM 384 CD2 HIS A 119 11.550 -5.798 -16.501 1.00 74.03 C ATOM 385 CE1 HIS A 119 12.980 -4.498 -17.502 1.00 74.33 C ATOM 386 NE2 HIS A 119 11.730 -4.545 -17.026 1.00 14.24 N ATOM 0 H HIS A 119 11.461 -8.404 -14.470 1.00 22.01 H new ATOM 0 HA HIS A 119 14.195 -8.916 -14.814 1.00 24.33 H new ATOM 0 HB2 HIS A 119 13.880 -8.213 -16.959 1.00 54.31 H new ATOM 0 HB3 HIS A 119 12.215 -8.523 -16.510 1.00 54.31 H new ATOM 0 HD1 HIS A 119 14.566 -5.873 -17.588 1.00 74.34 H new ATOM 0 HD2 HIS A 119 10.654 -6.176 -16.031 1.00 74.03 H new ATOM 0 HE1 HIS A 119 13.419 -3.633 -17.977 1.00 74.33 H new ATOM 394 N HIS A 120 13.476 -5.942 -13.684 1.00 1.10 N ATOM 395 CA HIS A 120 14.048 -4.746 -13.089 1.00 21.14 C ATOM 396 C HIS A 120 14.984 -5.119 -11.947 1.00 21.32 C ATOM 397 O HIS A 120 16.159 -4.744 -11.951 1.00 71.33 O ATOM 398 CB HIS A 120 12.951 -3.819 -12.564 1.00 35.00 C ATOM 399 CG HIS A 120 12.149 -3.141 -13.627 1.00 13.33 C ATOM 400 ND1 HIS A 120 10.833 -3.463 -13.842 1.00 22.23 N ATOM 401 CD2 HIS A 120 12.510 -2.153 -14.478 1.00 43.13 C ATOM 402 CE1 HIS A 120 10.421 -2.665 -14.814 1.00 61.25 C ATOM 403 NE2 HIS A 120 11.403 -1.857 -15.232 1.00 11.23 N ATOM 0 H HIS A 120 12.466 -6.026 -13.571 1.00 1.10 H new ATOM 0 HA HIS A 120 14.610 -4.223 -13.863 1.00 21.14 H new ATOM 0 HB2 HIS A 120 12.277 -4.397 -11.932 1.00 35.00 H new ATOM 0 HB3 HIS A 120 13.408 -3.058 -11.931 1.00 35.00 H new ATOM 0 HD1 HIS A 120 10.285 -4.171 -13.354 1.00 22.23 H new ATOM 0 HD2 HIS A 120 13.482 -1.687 -14.550 1.00 43.13 H new ATOM 0 HE1 HIS A 120 9.420 -2.666 -15.219 1.00 61.25 H new ATOM 411 N LEU A 121 14.460 -5.867 -10.973 1.00 2.22 N ATOM 412 CA LEU A 121 15.255 -6.278 -9.818 1.00 3.11 C ATOM 413 C LEU A 121 16.437 -7.131 -10.255 1.00 43.41 C ATOM 414 O LEU A 121 17.569 -6.892 -9.847 1.00 54.42 O ATOM 415 CB LEU A 121 14.420 -7.066 -8.793 1.00 11.12 C ATOM 416 CG LEU A 121 13.438 -6.256 -7.933 1.00 31.44 C ATOM 417 CD1 LEU A 121 13.844 -4.793 -7.858 1.00 62.45 C ATOM 418 CD2 LEU A 121 12.014 -6.404 -8.443 1.00 5.22 C ATOM 0 H LEU A 121 13.495 -6.198 -10.962 1.00 2.22 H new ATOM 0 HA LEU A 121 15.613 -5.365 -9.343 1.00 3.11 H new ATOM 0 HB2 LEU A 121 13.854 -7.828 -9.329 1.00 11.12 H new ATOM 0 HB3 LEU A 121 15.105 -7.589 -8.126 1.00 11.12 H new ATOM 0 HG LEU A 121 13.475 -6.660 -6.921 1.00 31.44 H new ATOM 0 HD11 LEU A 121 13.129 -4.248 -7.242 1.00 62.45 H new ATOM 0 HD12 LEU A 121 14.837 -4.713 -7.417 1.00 62.45 H new ATOM 0 HD13 LEU A 121 13.858 -4.367 -8.861 1.00 62.45 H new ATOM 0 HD21 LEU A 121 11.340 -5.820 -7.816 1.00 5.22 H new ATOM 0 HD22 LEU A 121 11.956 -6.044 -9.470 1.00 5.22 H new ATOM 0 HD23 LEU A 121 11.723 -7.454 -8.409 1.00 5.22 H new ATOM 430 N ARG A 122 16.169 -8.115 -11.097 1.00 33.14 N ATOM 431 CA ARG A 122 17.198 -9.045 -11.535 1.00 73.23 C ATOM 432 C ARG A 122 18.318 -8.327 -12.288 1.00 3.13 C ATOM 433 O ARG A 122 19.484 -8.514 -11.968 1.00 60.14 O ATOM 434 CB ARG A 122 16.585 -10.144 -12.402 1.00 34.54 C ATOM 435 CG ARG A 122 17.613 -11.081 -13.019 1.00 44.23 C ATOM 436 CD ARG A 122 17.553 -12.473 -12.405 1.00 33.11 C ATOM 437 NE ARG A 122 16.238 -13.100 -12.564 1.00 42.51 N ATOM 438 CZ ARG A 122 15.930 -14.318 -12.107 1.00 35.43 C ATOM 439 NH1 ARG A 122 16.871 -15.095 -11.580 1.00 11.42 N ATOM 440 NH2 ARG A 122 14.687 -14.776 -12.221 1.00 13.04 N ATOM 0 H ARG A 122 15.245 -8.291 -11.492 1.00 33.14 H new ATOM 0 HA ARG A 122 17.638 -9.501 -10.648 1.00 73.23 H new ATOM 0 HB2 ARG A 122 15.892 -10.728 -11.797 1.00 34.54 H new ATOM 0 HB3 ARG A 122 16.002 -9.683 -13.199 1.00 34.54 H new ATOM 0 HG2 ARG A 122 17.442 -11.150 -14.093 1.00 44.23 H new ATOM 0 HG3 ARG A 122 18.611 -10.666 -12.881 1.00 44.23 H new ATOM 0 HD2 ARG A 122 18.311 -13.104 -12.868 1.00 33.11 H new ATOM 0 HD3 ARG A 122 17.796 -12.410 -11.344 1.00 33.11 H new ATOM 0 HE ARG A 122 15.513 -12.575 -13.053 1.00 42.51 H new ATOM 0 HH11 ARG A 122 17.834 -14.763 -11.523 1.00 11.42 H new ATOM 0 HH12 ARG A 122 16.630 -16.023 -11.233 1.00 11.42 H new ATOM 0 HH21 ARG A 122 13.969 -14.198 -12.657 1.00 13.04 H new ATOM 0 HH22 ARG A 122 14.452 -15.705 -11.872 1.00 13.04 H new ATOM 454 N ASP A 123 17.961 -7.485 -13.257 1.00 12.22 N ATOM 455 CA ASP A 123 18.957 -6.771 -14.069 1.00 34.50 C ATOM 456 C ASP A 123 19.867 -5.919 -13.191 1.00 1.51 C ATOM 457 O ASP A 123 21.046 -5.729 -13.487 1.00 12.32 O ATOM 458 CB ASP A 123 18.258 -5.884 -15.109 1.00 21.34 C ATOM 459 CG ASP A 123 19.222 -5.067 -15.955 1.00 14.22 C ATOM 460 OD1 ASP A 123 19.805 -5.623 -16.912 1.00 64.45 O ATOM 461 OD2 ASP A 123 19.379 -3.856 -15.686 1.00 52.13 O ATOM 0 H ASP A 123 16.993 -7.278 -13.502 1.00 12.22 H new ATOM 0 HA ASP A 123 19.568 -7.513 -14.583 1.00 34.50 H new ATOM 0 HB2 ASP A 123 17.655 -6.512 -15.764 1.00 21.34 H new ATOM 0 HB3 ASP A 123 17.573 -5.208 -14.597 1.00 21.34 H new ATOM 466 N TYR A 124 19.316 -5.429 -12.097 1.00 14.14 N ATOM 467 CA TYR A 124 20.052 -4.562 -11.197 1.00 5.24 C ATOM 468 C TYR A 124 20.841 -5.372 -10.166 1.00 4.11 C ATOM 469 O TYR A 124 22.012 -5.098 -9.916 1.00 11.53 O ATOM 470 CB TYR A 124 19.083 -3.593 -10.512 1.00 62.53 C ATOM 471 CG TYR A 124 19.710 -2.714 -9.452 1.00 1.13 C ATOM 472 CD1 TYR A 124 19.240 -2.742 -8.149 1.00 14.04 C ATOM 473 CD2 TYR A 124 20.762 -1.856 -9.753 1.00 64.20 C ATOM 474 CE1 TYR A 124 19.796 -1.941 -7.174 1.00 2.03 C ATOM 475 CE2 TYR A 124 21.326 -1.051 -8.779 1.00 74.00 C ATOM 476 CZ TYR A 124 20.836 -1.098 -7.491 1.00 55.32 C ATOM 477 OH TYR A 124 21.386 -0.299 -6.513 1.00 24.14 O ATOM 0 H TYR A 124 18.356 -5.618 -11.809 1.00 14.14 H new ATOM 0 HA TYR A 124 20.775 -3.989 -11.777 1.00 5.24 H new ATOM 0 HB2 TYR A 124 18.631 -2.956 -11.272 1.00 62.53 H new ATOM 0 HB3 TYR A 124 18.277 -4.168 -10.057 1.00 62.53 H new ATOM 0 HD1 TYR A 124 18.425 -3.402 -7.893 1.00 14.04 H new ATOM 0 HD2 TYR A 124 21.145 -1.817 -10.762 1.00 64.20 H new ATOM 0 HE1 TYR A 124 19.416 -1.975 -6.164 1.00 2.03 H new ATOM 0 HE2 TYR A 124 22.144 -0.391 -9.026 1.00 74.00 H new ATOM 0 HH TYR A 124 21.192 -0.680 -5.631 1.00 24.14 H new ATOM 487 N PHE A 125 20.218 -6.386 -9.593 1.00 65.11 N ATOM 488 CA PHE A 125 20.830 -7.119 -8.492 1.00 41.25 C ATOM 489 C PHE A 125 21.751 -8.248 -8.962 1.00 44.13 C ATOM 490 O PHE A 125 22.537 -8.770 -8.172 1.00 13.24 O ATOM 491 CB PHE A 125 19.755 -7.657 -7.547 1.00 21.52 C ATOM 492 CG PHE A 125 19.101 -6.580 -6.726 1.00 55.01 C ATOM 493 CD1 PHE A 125 17.744 -6.324 -6.838 1.00 31.50 C ATOM 494 CD2 PHE A 125 19.850 -5.817 -5.847 1.00 24.12 C ATOM 495 CE1 PHE A 125 17.149 -5.328 -6.088 1.00 32.55 C ATOM 496 CE2 PHE A 125 19.261 -4.821 -5.093 1.00 12.51 C ATOM 497 CZ PHE A 125 17.907 -4.575 -5.213 1.00 71.21 C ATOM 0 H PHE A 125 19.295 -6.721 -9.867 1.00 65.11 H new ATOM 0 HA PHE A 125 21.460 -6.410 -7.955 1.00 41.25 H new ATOM 0 HB2 PHE A 125 18.993 -8.175 -8.130 1.00 21.52 H new ATOM 0 HB3 PHE A 125 20.202 -8.394 -6.880 1.00 21.52 H new ATOM 0 HD1 PHE A 125 17.145 -6.910 -7.519 1.00 31.50 H new ATOM 0 HD2 PHE A 125 20.909 -6.003 -5.749 1.00 24.12 H new ATOM 0 HE1 PHE A 125 16.090 -5.138 -6.186 1.00 32.55 H new ATOM 0 HE2 PHE A 125 19.858 -4.235 -4.410 1.00 12.51 H new ATOM 0 HZ PHE A 125 17.443 -3.797 -4.625 1.00 71.21 H new ATOM 507 N GLU A 126 21.679 -8.620 -10.239 1.00 74.40 N ATOM 508 CA GLU A 126 22.547 -9.679 -10.761 1.00 63.51 C ATOM 509 C GLU A 126 24.006 -9.228 -10.775 1.00 41.50 C ATOM 510 O GLU A 126 24.924 -10.048 -10.772 1.00 13.13 O ATOM 511 CB GLU A 126 22.095 -10.119 -12.159 1.00 51.11 C ATOM 512 CG GLU A 126 22.180 -9.042 -13.230 1.00 21.23 C ATOM 513 CD GLU A 126 23.493 -9.064 -13.983 1.00 2.44 C ATOM 514 OE1 GLU A 126 24.317 -8.151 -13.781 1.00 14.34 O ATOM 515 OE2 GLU A 126 23.701 -9.992 -14.793 1.00 21.31 O ATOM 0 H GLU A 126 21.041 -8.213 -10.923 1.00 74.40 H new ATOM 0 HA GLU A 126 22.467 -10.539 -10.097 1.00 63.51 H new ATOM 0 HB2 GLU A 126 22.703 -10.969 -12.470 1.00 51.11 H new ATOM 0 HB3 GLU A 126 21.065 -10.469 -12.098 1.00 51.11 H new ATOM 0 HG2 GLU A 126 21.360 -9.173 -13.936 1.00 21.23 H new ATOM 0 HG3 GLU A 126 22.049 -8.064 -12.766 1.00 21.23 H new ATOM 522 N GLN A 127 24.203 -7.918 -10.782 1.00 4.50 N ATOM 523 CA GLN A 127 25.540 -7.332 -10.711 1.00 61.35 C ATOM 524 C GLN A 127 26.176 -7.619 -9.357 1.00 2.14 C ATOM 525 O GLN A 127 27.399 -7.650 -9.223 1.00 11.53 O ATOM 526 CB GLN A 127 25.466 -5.822 -10.920 1.00 11.12 C ATOM 527 CG GLN A 127 24.723 -5.416 -12.176 1.00 11.31 C ATOM 528 CD GLN A 127 24.440 -3.932 -12.224 1.00 32.10 C ATOM 529 OE1 GLN A 127 25.213 -3.151 -12.774 1.00 55.04 O ATOM 530 NE2 GLN A 127 23.347 -3.533 -11.605 1.00 45.43 N ATOM 0 H GLN A 127 23.449 -7.233 -10.837 1.00 4.50 H new ATOM 0 HA GLN A 127 26.149 -7.779 -11.497 1.00 61.35 H new ATOM 0 HB2 GLN A 127 24.978 -5.368 -10.057 1.00 11.12 H new ATOM 0 HB3 GLN A 127 26.478 -5.420 -10.962 1.00 11.12 H new ATOM 0 HG2 GLN A 127 25.310 -5.700 -13.050 1.00 11.31 H new ATOM 0 HG3 GLN A 127 23.783 -5.964 -12.232 1.00 11.31 H new ATOM 0 HE21 GLN A 127 22.733 -4.217 -11.162 1.00 45.43 H new ATOM 0 HE22 GLN A 127 23.115 -2.540 -11.569 1.00 45.43 H new ATOM 539 N TYR A 128 25.330 -7.823 -8.357 1.00 63.43 N ATOM 540 CA TYR A 128 25.784 -8.068 -6.996 1.00 22.01 C ATOM 541 C TYR A 128 26.102 -9.542 -6.788 1.00 62.02 C ATOM 542 O TYR A 128 26.965 -9.899 -5.982 1.00 22.43 O ATOM 543 CB TYR A 128 24.719 -7.611 -5.999 1.00 14.24 C ATOM 544 CG TYR A 128 24.451 -6.121 -6.038 1.00 14.30 C ATOM 545 CD1 TYR A 128 25.013 -5.280 -5.093 1.00 21.35 C ATOM 546 CD2 TYR A 128 23.643 -5.561 -7.019 1.00 53.23 C ATOM 547 CE1 TYR A 128 24.779 -3.919 -5.119 1.00 21.01 C ATOM 548 CE2 TYR A 128 23.404 -4.200 -7.054 1.00 12.25 C ATOM 549 CZ TYR A 128 23.975 -3.385 -6.101 1.00 52.20 C ATOM 550 OH TYR A 128 23.742 -2.030 -6.129 1.00 70.13 O ATOM 0 H TYR A 128 24.316 -7.823 -8.465 1.00 63.43 H new ATOM 0 HA TYR A 128 26.697 -7.496 -6.829 1.00 22.01 H new ATOM 0 HB2 TYR A 128 23.790 -8.144 -6.202 1.00 14.24 H new ATOM 0 HB3 TYR A 128 25.032 -7.889 -4.993 1.00 14.24 H new ATOM 0 HD1 TYR A 128 25.645 -5.695 -4.322 1.00 21.35 H new ATOM 0 HD2 TYR A 128 23.194 -6.199 -7.766 1.00 53.23 H new ATOM 0 HE1 TYR A 128 25.224 -3.277 -4.373 1.00 21.01 H new ATOM 0 HE2 TYR A 128 22.774 -3.778 -7.823 1.00 12.25 H new ATOM 0 HH TYR A 128 22.817 -1.863 -6.407 1.00 70.13 H new ATOM 560 N GLY A 129 25.397 -10.398 -7.512 1.00 75.13 N ATOM 561 CA GLY A 129 25.645 -11.818 -7.424 1.00 53.14 C ATOM 562 C GLY A 129 24.669 -12.611 -8.254 1.00 11.31 C ATOM 563 O GLY A 129 23.853 -12.037 -8.981 1.00 72.24 O ATOM 0 H GLY A 129 24.656 -10.132 -8.160 1.00 75.13 H new ATOM 0 HA2 GLY A 129 26.661 -12.030 -7.757 1.00 53.14 H new ATOM 0 HA3 GLY A 129 25.578 -12.135 -6.383 1.00 53.14 H new ATOM 567 N LYS A 130 24.745 -13.927 -8.157 1.00 72.02 N ATOM 568 CA LYS A 130 23.853 -14.779 -8.915 1.00 4.52 C ATOM 569 C LYS A 130 22.490 -14.842 -8.235 1.00 44.11 C ATOM 570 O LYS A 130 22.374 -15.090 -7.029 1.00 64.43 O ATOM 571 CB LYS A 130 24.437 -16.181 -9.098 1.00 1.14 C ATOM 572 CG LYS A 130 24.422 -17.023 -7.841 1.00 40.11 C ATOM 573 CD LYS A 130 25.030 -18.393 -8.086 1.00 15.22 C ATOM 574 CE LYS A 130 24.213 -19.191 -9.089 1.00 74.23 C ATOM 575 NZ LYS A 130 24.881 -20.466 -9.452 1.00 13.21 N ATOM 0 H LYS A 130 25.411 -14.423 -7.565 1.00 72.02 H new ATOM 0 HA LYS A 130 23.732 -14.347 -9.908 1.00 4.52 H new ATOM 0 HB2 LYS A 130 23.876 -16.698 -9.876 1.00 1.14 H new ATOM 0 HB3 LYS A 130 25.464 -16.092 -9.451 1.00 1.14 H new ATOM 0 HG2 LYS A 130 24.976 -16.513 -7.053 1.00 40.11 H new ATOM 0 HG3 LYS A 130 23.397 -17.136 -7.489 1.00 40.11 H new ATOM 0 HD2 LYS A 130 26.050 -18.280 -8.453 1.00 15.22 H new ATOM 0 HD3 LYS A 130 25.089 -18.940 -7.145 1.00 15.22 H new ATOM 0 HE2 LYS A 130 23.229 -19.402 -8.671 1.00 74.23 H new ATOM 0 HE3 LYS A 130 24.056 -18.594 -9.987 1.00 74.23 H new ATOM 0 HZ1 LYS A 130 24.294 -20.982 -10.138 1.00 13.21 H new ATOM 0 HZ2 LYS A 130 25.810 -20.263 -9.874 1.00 13.21 H new ATOM 0 HZ3 LYS A 130 25.008 -21.047 -8.599 1.00 13.21 H new ATOM 589 N ILE A 131 21.465 -14.604 -9.015 1.00 62.30 N ATOM 590 CA ILE A 131 20.116 -14.549 -8.499 1.00 52.43 C ATOM 591 C ILE A 131 19.398 -15.866 -8.743 1.00 30.03 C ATOM 592 O ILE A 131 19.596 -16.519 -9.767 1.00 51.24 O ATOM 593 CB ILE A 131 19.318 -13.394 -9.140 1.00 52.15 C ATOM 594 CG1 ILE A 131 20.048 -12.066 -8.930 1.00 42.32 C ATOM 595 CG2 ILE A 131 17.913 -13.321 -8.563 1.00 31.10 C ATOM 596 CD1 ILE A 131 19.310 -10.873 -9.495 1.00 43.34 C ATOM 0 H ILE A 131 21.539 -14.444 -10.020 1.00 62.30 H new ATOM 0 HA ILE A 131 20.181 -14.369 -7.426 1.00 52.43 H new ATOM 0 HB ILE A 131 19.237 -13.586 -10.210 1.00 52.15 H new ATOM 0 HG12 ILE A 131 20.206 -11.913 -7.862 1.00 42.32 H new ATOM 0 HG13 ILE A 131 21.033 -12.126 -9.393 1.00 42.32 H new ATOM 0 HG21 ILE A 131 17.370 -12.499 -9.030 1.00 31.10 H new ATOM 0 HG22 ILE A 131 17.391 -14.258 -8.757 1.00 31.10 H new ATOM 0 HG23 ILE A 131 17.970 -13.153 -7.487 1.00 31.10 H new ATOM 0 HD11 ILE A 131 19.887 -9.967 -9.309 1.00 43.34 H new ATOM 0 HD12 ILE A 131 19.175 -11.004 -10.569 1.00 43.34 H new ATOM 0 HD13 ILE A 131 18.335 -10.787 -9.015 1.00 43.34 H new ATOM 608 N GLU A 132 18.588 -16.267 -7.785 1.00 4.01 N ATOM 609 CA GLU A 132 17.761 -17.444 -7.930 1.00 52.04 C ATOM 610 C GLU A 132 16.451 -17.084 -8.626 1.00 63.13 C ATOM 611 O GLU A 132 16.282 -17.335 -9.820 1.00 72.33 O ATOM 612 CB GLU A 132 17.504 -18.067 -6.559 1.00 33.00 C ATOM 613 CG GLU A 132 18.668 -18.898 -6.061 1.00 31.23 C ATOM 614 CD GLU A 132 18.675 -20.290 -6.652 1.00 60.22 C ATOM 615 OE1 GLU A 132 18.244 -21.235 -5.957 1.00 24.50 O ATOM 616 OE2 GLU A 132 19.101 -20.446 -7.817 1.00 41.13 O ATOM 0 H GLU A 132 18.486 -15.789 -6.890 1.00 4.01 H new ATOM 0 HA GLU A 132 18.280 -18.177 -8.548 1.00 52.04 H new ATOM 0 HB2 GLU A 132 17.295 -17.275 -5.839 1.00 33.00 H new ATOM 0 HB3 GLU A 132 16.613 -18.693 -6.611 1.00 33.00 H new ATOM 0 HG2 GLU A 132 19.603 -18.396 -6.310 1.00 31.23 H new ATOM 0 HG3 GLU A 132 18.623 -18.968 -4.974 1.00 31.23 H new ATOM 623 N VAL A 133 15.548 -16.449 -7.889 1.00 53.44 N ATOM 624 CA VAL A 133 14.248 -16.069 -8.429 1.00 22.23 C ATOM 625 C VAL A 133 13.852 -14.679 -7.946 1.00 71.14 C ATOM 626 O VAL A 133 14.325 -14.216 -6.907 1.00 23.11 O ATOM 627 CB VAL A 133 13.136 -17.071 -8.034 1.00 71.13 C ATOM 628 CG1 VAL A 133 13.365 -18.427 -8.683 1.00 30.51 C ATOM 629 CG2 VAL A 133 13.046 -17.218 -6.522 1.00 20.13 C ATOM 0 H VAL A 133 15.692 -16.186 -6.914 1.00 53.44 H new ATOM 0 HA VAL A 133 14.348 -16.074 -9.514 1.00 22.23 H new ATOM 0 HB VAL A 133 12.189 -16.672 -8.398 1.00 71.13 H new ATOM 0 HG11 VAL A 133 12.569 -19.111 -8.388 1.00 30.51 H new ATOM 0 HG12 VAL A 133 13.365 -18.316 -9.767 1.00 30.51 H new ATOM 0 HG13 VAL A 133 14.326 -18.828 -8.360 1.00 30.51 H new ATOM 0 HG21 VAL A 133 12.257 -17.927 -6.272 1.00 20.13 H new ATOM 0 HG22 VAL A 133 13.998 -17.582 -6.135 1.00 20.13 H new ATOM 0 HG23 VAL A 133 12.819 -16.250 -6.075 1.00 20.13 H new ATOM 639 N ILE A 134 12.997 -14.014 -8.706 1.00 33.40 N ATOM 640 CA ILE A 134 12.476 -12.718 -8.306 1.00 11.43 C ATOM 641 C ILE A 134 11.000 -12.852 -7.976 1.00 11.25 C ATOM 642 O ILE A 134 10.168 -13.031 -8.865 1.00 34.11 O ATOM 643 CB ILE A 134 12.650 -11.645 -9.401 1.00 63.42 C ATOM 644 CG1 ILE A 134 14.077 -11.647 -9.954 1.00 43.34 C ATOM 645 CG2 ILE A 134 12.310 -10.270 -8.843 1.00 60.13 C ATOM 646 CD1 ILE A 134 15.124 -11.279 -8.936 1.00 54.15 C ATOM 0 H ILE A 134 12.649 -14.351 -9.604 1.00 33.40 H new ATOM 0 HA ILE A 134 13.045 -12.395 -7.434 1.00 11.43 H new ATOM 0 HB ILE A 134 11.968 -11.881 -10.218 1.00 63.42 H new ATOM 0 HG12 ILE A 134 14.302 -12.637 -10.351 1.00 43.34 H new ATOM 0 HG13 ILE A 134 14.134 -10.949 -10.789 1.00 43.34 H new ATOM 0 HG21 ILE A 134 12.436 -9.519 -9.623 1.00 60.13 H new ATOM 0 HG22 ILE A 134 11.277 -10.263 -8.496 1.00 60.13 H new ATOM 0 HG23 ILE A 134 12.974 -10.041 -8.009 1.00 60.13 H new ATOM 0 HD11 ILE A 134 16.109 -11.302 -9.402 1.00 54.15 H new ATOM 0 HD12 ILE A 134 14.926 -10.277 -8.556 1.00 54.15 H new ATOM 0 HD13 ILE A 134 15.096 -11.991 -8.111 1.00 54.15 H new ATOM 658 N GLU A 135 10.678 -12.777 -6.699 1.00 2.53 N ATOM 659 CA GLU A 135 9.317 -12.991 -6.250 1.00 41.22 C ATOM 660 C GLU A 135 8.547 -11.679 -6.202 1.00 73.20 C ATOM 661 O GLU A 135 8.664 -10.907 -5.249 1.00 33.41 O ATOM 662 CB GLU A 135 9.309 -13.664 -4.876 1.00 3.23 C ATOM 663 CG GLU A 135 10.070 -14.981 -4.849 1.00 0.21 C ATOM 664 CD GLU A 135 10.003 -15.684 -3.508 1.00 14.45 C ATOM 665 OE1 GLU A 135 10.365 -16.875 -3.440 1.00 44.01 O ATOM 666 OE2 GLU A 135 9.586 -15.055 -2.511 1.00 70.41 O ATOM 0 H GLU A 135 11.342 -12.569 -5.953 1.00 2.53 H new ATOM 0 HA GLU A 135 8.823 -13.649 -6.965 1.00 41.22 H new ATOM 0 HB2 GLU A 135 9.745 -12.985 -4.143 1.00 3.23 H new ATOM 0 HB3 GLU A 135 8.278 -13.842 -4.572 1.00 3.23 H new ATOM 0 HG2 GLU A 135 9.668 -15.641 -5.618 1.00 0.21 H new ATOM 0 HG3 GLU A 135 11.114 -14.795 -5.102 1.00 0.21 H new ATOM 673 N ILE A 136 7.783 -11.415 -7.251 1.00 11.41 N ATOM 674 CA ILE A 136 6.935 -10.236 -7.299 1.00 62.31 C ATOM 675 C ILE A 136 5.653 -10.507 -6.528 1.00 15.14 C ATOM 676 O ILE A 136 4.781 -11.231 -7.011 1.00 33.43 O ATOM 677 CB ILE A 136 6.570 -9.850 -8.749 1.00 13.14 C ATOM 678 CG1 ILE A 136 7.817 -9.818 -9.632 1.00 31.21 C ATOM 679 CG2 ILE A 136 5.873 -8.496 -8.776 1.00 33.23 C ATOM 680 CD1 ILE A 136 7.507 -9.616 -11.099 1.00 40.42 C ATOM 0 H ILE A 136 7.734 -12.004 -8.082 1.00 11.41 H new ATOM 0 HA ILE A 136 7.489 -9.410 -6.854 1.00 62.31 H new ATOM 0 HB ILE A 136 5.889 -10.605 -9.142 1.00 13.14 H new ATOM 0 HG12 ILE A 136 8.473 -9.017 -9.293 1.00 31.21 H new ATOM 0 HG13 ILE A 136 8.365 -10.752 -9.509 1.00 31.21 H new ATOM 0 HG21 ILE A 136 5.622 -8.237 -9.804 1.00 33.23 H new ATOM 0 HG22 ILE A 136 4.961 -8.544 -8.181 1.00 33.23 H new ATOM 0 HG23 ILE A 136 6.537 -7.737 -8.362 1.00 33.23 H new ATOM 0 HD11 ILE A 136 8.436 -9.603 -11.669 1.00 40.42 H new ATOM 0 HD12 ILE A 136 6.876 -10.431 -11.453 1.00 40.42 H new ATOM 0 HD13 ILE A 136 6.986 -8.668 -11.234 1.00 40.42 H new ATOM 692 N MET A 137 5.547 -9.962 -5.324 1.00 15.21 N ATOM 693 CA MET A 137 4.376 -10.207 -4.496 1.00 13.00 C ATOM 694 C MET A 137 3.142 -9.566 -5.109 1.00 13.22 C ATOM 695 O MET A 137 3.105 -8.359 -5.369 1.00 31.33 O ATOM 696 CB MET A 137 4.591 -9.714 -3.064 1.00 13.51 C ATOM 697 CG MET A 137 3.368 -9.891 -2.171 1.00 33.32 C ATOM 698 SD MET A 137 2.583 -11.510 -2.357 1.00 71.25 S ATOM 699 CE MET A 137 3.950 -12.609 -2.000 1.00 62.13 C ATOM 0 H MET A 137 6.249 -9.354 -4.903 1.00 15.21 H new ATOM 0 HA MET A 137 4.218 -11.285 -4.453 1.00 13.00 H new ATOM 0 HB2 MET A 137 5.432 -10.251 -2.626 1.00 13.51 H new ATOM 0 HB3 MET A 137 4.864 -8.659 -3.088 1.00 13.51 H new ATOM 0 HG2 MET A 137 3.662 -9.754 -1.130 1.00 33.32 H new ATOM 0 HG3 MET A 137 2.641 -9.112 -2.402 1.00 33.32 H new ATOM 0 HE1 MET A 137 3.595 -13.448 -1.402 1.00 62.13 H new ATOM 0 HE2 MET A 137 4.371 -12.981 -2.934 1.00 62.13 H new ATOM 0 HE3 MET A 137 4.717 -12.067 -1.447 1.00 62.13 H new ATOM 859 N PHE A 148 5.466 -4.373 -3.332 1.00 43.01 N ATOM 860 CA PHE A 148 6.801 -4.766 -2.917 1.00 73.34 C ATOM 861 C PHE A 148 7.182 -6.090 -3.557 1.00 40.24 C ATOM 862 O PHE A 148 6.311 -6.857 -3.978 1.00 34.23 O ATOM 863 CB PHE A 148 6.894 -4.849 -1.386 1.00 14.31 C ATOM 864 CG PHE A 148 5.891 -5.772 -0.748 1.00 45.01 C ATOM 865 CD1 PHE A 148 6.242 -7.066 -0.400 1.00 64.54 C ATOM 866 CD2 PHE A 148 4.601 -5.340 -0.484 1.00 72.54 C ATOM 867 CE1 PHE A 148 5.327 -7.910 0.198 1.00 21.31 C ATOM 868 CE2 PHE A 148 3.682 -6.182 0.110 1.00 71.21 C ATOM 869 CZ PHE A 148 4.046 -7.468 0.452 1.00 52.52 C ATOM 0 HA PHE A 148 7.506 -4.006 -3.253 1.00 73.34 H new ATOM 0 HB2 PHE A 148 7.897 -5.178 -1.113 1.00 14.31 H new ATOM 0 HB3 PHE A 148 6.763 -3.849 -0.972 1.00 14.31 H new ATOM 0 HD1 PHE A 148 7.243 -7.419 -0.599 1.00 64.54 H new ATOM 0 HD2 PHE A 148 4.311 -4.333 -0.746 1.00 72.54 H new ATOM 0 HE1 PHE A 148 5.615 -8.916 0.467 1.00 21.31 H new ATOM 0 HE2 PHE A 148 2.679 -5.834 0.307 1.00 71.21 H new ATOM 0 HZ PHE A 148 3.329 -8.127 0.918 1.00 52.52 H new ATOM 879 N ALA A 149 8.474 -6.347 -3.640 1.00 24.41 N ATOM 880 CA ALA A 149 8.971 -7.558 -4.267 1.00 44.03 C ATOM 881 C ALA A 149 10.158 -8.114 -3.499 1.00 5.14 C ATOM 882 O ALA A 149 10.703 -7.453 -2.612 1.00 2.43 O ATOM 883 CB ALA A 149 9.352 -7.288 -5.717 1.00 72.35 C ATOM 0 H ALA A 149 9.202 -5.730 -3.279 1.00 24.41 H new ATOM 0 HA ALA A 149 8.176 -8.303 -4.250 1.00 44.03 H new ATOM 0 HB1 ALA A 149 9.723 -8.206 -6.173 1.00 72.35 H new ATOM 0 HB2 ALA A 149 8.476 -6.939 -6.264 1.00 72.35 H new ATOM 0 HB3 ALA A 149 10.130 -6.525 -5.753 1.00 72.35 H new ATOM 889 N PHE A 150 10.558 -9.324 -3.847 1.00 72.24 N ATOM 890 CA PHE A 150 11.646 -9.998 -3.160 1.00 42.52 C ATOM 891 C PHE A 150 12.639 -10.542 -4.169 1.00 12.40 C ATOM 892 O PHE A 150 12.249 -11.094 -5.197 1.00 24.14 O ATOM 893 CB PHE A 150 11.116 -11.151 -2.301 1.00 22.40 C ATOM 894 CG PHE A 150 10.037 -10.762 -1.333 1.00 22.43 C ATOM 895 CD1 PHE A 150 8.702 -10.939 -1.659 1.00 41.11 C ATOM 896 CD2 PHE A 150 10.356 -10.222 -0.099 1.00 4.14 C ATOM 897 CE1 PHE A 150 7.706 -10.585 -0.772 1.00 32.34 C ATOM 898 CE2 PHE A 150 9.363 -9.866 0.793 1.00 4.14 C ATOM 899 CZ PHE A 150 8.037 -10.047 0.455 1.00 62.34 C ATOM 0 H PHE A 150 10.143 -9.863 -4.607 1.00 72.24 H new ATOM 0 HA PHE A 150 12.139 -9.273 -2.513 1.00 42.52 H new ATOM 0 HB2 PHE A 150 10.732 -11.931 -2.959 1.00 22.40 H new ATOM 0 HB3 PHE A 150 11.947 -11.584 -1.744 1.00 22.40 H new ATOM 0 HD1 PHE A 150 8.438 -11.359 -2.618 1.00 41.11 H new ATOM 0 HD2 PHE A 150 11.392 -10.077 0.169 1.00 4.14 H new ATOM 0 HE1 PHE A 150 6.669 -10.729 -1.038 1.00 32.34 H new ATOM 0 HE2 PHE A 150 9.624 -9.447 1.753 1.00 4.14 H new ATOM 0 HZ PHE A 150 7.259 -9.768 1.150 1.00 62.34 H new ATOM 909 N VAL A 151 13.917 -10.381 -3.884 1.00 74.30 N ATOM 910 CA VAL A 151 14.951 -10.900 -4.762 1.00 61.14 C ATOM 911 C VAL A 151 15.694 -12.034 -4.070 1.00 44.43 C ATOM 912 O VAL A 151 16.453 -11.802 -3.128 1.00 61.15 O ATOM 913 CB VAL A 151 15.954 -9.801 -5.172 1.00 75.14 C ATOM 914 CG1 VAL A 151 16.891 -10.302 -6.262 1.00 22.34 C ATOM 915 CG2 VAL A 151 15.220 -8.553 -5.632 1.00 65.44 C ATOM 0 H VAL A 151 14.264 -9.898 -3.056 1.00 74.30 H new ATOM 0 HA VAL A 151 14.466 -11.269 -5.665 1.00 61.14 H new ATOM 0 HB VAL A 151 16.554 -9.546 -4.298 1.00 75.14 H new ATOM 0 HG11 VAL A 151 17.589 -9.510 -6.534 1.00 22.34 H new ATOM 0 HG12 VAL A 151 17.447 -11.165 -5.896 1.00 22.34 H new ATOM 0 HG13 VAL A 151 16.309 -10.590 -7.138 1.00 22.34 H new ATOM 0 HG21 VAL A 151 15.944 -7.789 -5.917 1.00 65.44 H new ATOM 0 HG22 VAL A 151 14.592 -8.795 -6.489 1.00 65.44 H new ATOM 0 HG23 VAL A 151 14.597 -8.177 -4.820 1.00 65.44 H new ATOM 925 N THR A 152 15.445 -13.256 -4.514 1.00 10.43 N ATOM 926 CA THR A 152 16.093 -14.422 -3.940 1.00 45.34 C ATOM 927 C THR A 152 17.428 -14.676 -4.624 1.00 70.33 C ATOM 928 O THR A 152 17.496 -14.790 -5.844 1.00 14.21 O ATOM 929 CB THR A 152 15.220 -15.682 -4.090 1.00 52.32 C ATOM 930 OG1 THR A 152 13.885 -15.411 -3.651 1.00 62.11 O ATOM 931 CG2 THR A 152 15.797 -16.839 -3.285 1.00 24.51 C ATOM 0 H THR A 152 14.796 -13.465 -5.273 1.00 10.43 H new ATOM 0 HA THR A 152 16.245 -14.217 -2.880 1.00 45.34 H new ATOM 0 HB THR A 152 15.205 -15.962 -5.143 1.00 52.32 H new ATOM 0 HG1 THR A 152 13.593 -16.117 -3.037 1.00 62.11 H new ATOM 0 HG21 THR A 152 15.164 -17.718 -3.406 1.00 24.51 H new ATOM 0 HG22 THR A 152 16.802 -17.064 -3.641 1.00 24.51 H new ATOM 0 HG23 THR A 152 15.838 -16.564 -2.231 1.00 24.51 H new ATOM 939 N PHE A 153 18.481 -14.768 -3.837 1.00 30.23 N ATOM 940 CA PHE A 153 19.806 -15.030 -4.361 1.00 70.24 C ATOM 941 C PHE A 153 20.242 -16.435 -3.978 1.00 31.44 C ATOM 942 O PHE A 153 19.796 -16.978 -2.965 1.00 21.44 O ATOM 943 CB PHE A 153 20.810 -14.012 -3.819 1.00 62.12 C ATOM 944 CG PHE A 153 20.490 -12.590 -4.177 1.00 14.15 C ATOM 945 CD1 PHE A 153 20.978 -12.028 -5.345 1.00 34.45 C ATOM 946 CD2 PHE A 153 19.708 -11.812 -3.341 1.00 70.15 C ATOM 947 CE1 PHE A 153 20.691 -10.718 -5.671 1.00 41.32 C ATOM 948 CE2 PHE A 153 19.417 -10.503 -3.662 1.00 32.40 C ATOM 949 CZ PHE A 153 19.908 -9.956 -4.828 1.00 45.02 C ATOM 0 H PHE A 153 18.443 -14.664 -2.823 1.00 30.23 H new ATOM 0 HA PHE A 153 19.774 -14.943 -5.447 1.00 70.24 H new ATOM 0 HB2 PHE A 153 20.853 -14.102 -2.734 1.00 62.12 H new ATOM 0 HB3 PHE A 153 21.802 -14.257 -4.199 1.00 62.12 H new ATOM 0 HD1 PHE A 153 21.590 -12.622 -6.008 1.00 34.45 H new ATOM 0 HD2 PHE A 153 19.321 -12.235 -2.426 1.00 70.15 H new ATOM 0 HE1 PHE A 153 21.078 -10.290 -6.584 1.00 41.32 H new ATOM 0 HE2 PHE A 153 18.805 -9.907 -3.001 1.00 32.40 H new ATOM 0 HZ PHE A 153 19.680 -8.931 -5.082 1.00 45.02 H new ATOM 959 N ASP A 154 21.096 -17.030 -4.793 1.00 11.51 N ATOM 960 CA ASP A 154 21.634 -18.351 -4.488 1.00 32.44 C ATOM 961 C ASP A 154 22.688 -18.237 -3.398 1.00 43.13 C ATOM 962 O ASP A 154 22.961 -19.190 -2.667 1.00 12.52 O ATOM 963 CB ASP A 154 22.241 -18.990 -5.741 1.00 74.12 C ATOM 964 CG ASP A 154 22.826 -20.365 -5.474 1.00 32.31 C ATOM 965 OD1 ASP A 154 24.060 -20.476 -5.319 1.00 71.21 O ATOM 966 OD2 ASP A 154 22.055 -21.348 -5.426 1.00 65.23 O ATOM 0 H ASP A 154 21.432 -16.625 -5.667 1.00 11.51 H new ATOM 0 HA ASP A 154 20.821 -18.987 -4.138 1.00 32.44 H new ATOM 0 HB2 ASP A 154 21.474 -19.070 -6.511 1.00 74.12 H new ATOM 0 HB3 ASP A 154 23.021 -18.338 -6.134 1.00 74.12 H new ATOM 971 N ASP A 155 23.245 -17.046 -3.273 1.00 13.14 N ATOM 972 CA ASP A 155 24.336 -16.805 -2.341 1.00 41.22 C ATOM 973 C ASP A 155 23.987 -15.662 -1.398 1.00 11.55 C ATOM 974 O ASP A 155 23.410 -14.657 -1.814 1.00 60.25 O ATOM 975 CB ASP A 155 25.618 -16.463 -3.107 1.00 71.21 C ATOM 976 CG ASP A 155 26.875 -16.717 -2.297 1.00 61.53 C ATOM 977 OD1 ASP A 155 27.946 -16.930 -2.907 1.00 61.45 O ATOM 978 OD2 ASP A 155 26.803 -16.727 -1.051 1.00 73.54 O ATOM 0 H ASP A 155 22.959 -16.226 -3.807 1.00 13.14 H new ATOM 0 HA ASP A 155 24.496 -17.711 -1.757 1.00 41.22 H new ATOM 0 HB2 ASP A 155 25.656 -17.053 -4.023 1.00 71.21 H new ATOM 0 HB3 ASP A 155 25.589 -15.415 -3.404 1.00 71.21 H new ATOM 983 N HIS A 156 24.341 -15.818 -0.133 1.00 25.45 N ATOM 984 CA HIS A 156 24.153 -14.760 0.850 1.00 63.44 C ATOM 985 C HIS A 156 25.296 -13.751 0.755 1.00 24.35 C ATOM 986 O HIS A 156 25.297 -12.722 1.425 1.00 52.51 O ATOM 987 CB HIS A 156 24.051 -15.339 2.268 1.00 33.33 C ATOM 988 CG HIS A 156 25.145 -16.304 2.619 1.00 64.14 C ATOM 989 ND1 HIS A 156 24.882 -17.636 2.831 1.00 44.41 N ATOM 990 CD2 HIS A 156 26.468 -16.082 2.794 1.00 13.32 C ATOM 991 CE1 HIS A 156 26.044 -18.191 3.131 1.00 4.43 C ATOM 992 NE2 HIS A 156 27.034 -17.287 3.121 1.00 61.21 N ATOM 0 H HIS A 156 24.762 -16.669 0.240 1.00 25.45 H new ATOM 0 HA HIS A 156 23.215 -14.248 0.634 1.00 63.44 H new ATOM 0 HB2 HIS A 156 24.062 -14.518 2.985 1.00 33.33 H new ATOM 0 HB3 HIS A 156 23.090 -15.842 2.375 1.00 33.33 H new ATOM 0 HD2 HIS A 156 26.980 -15.136 2.695 1.00 13.32 H new ATOM 0 HE1 HIS A 156 26.178 -19.239 3.355 1.00 4.43 H new ATOM 0 HE2 HIS A 156 28.019 -17.462 3.319 1.00 61.21 H new ATOM 1000 N ASP A 157 26.274 -14.066 -0.082 1.00 13.23 N ATOM 1001 CA ASP A 157 27.361 -13.142 -0.377 1.00 2.42 C ATOM 1002 C ASP A 157 26.825 -11.930 -1.125 1.00 41.14 C ATOM 1003 O ASP A 157 27.158 -10.788 -0.813 1.00 45.43 O ATOM 1004 CB ASP A 157 28.432 -13.842 -1.218 1.00 54.02 C ATOM 1005 CG ASP A 157 29.568 -12.923 -1.617 1.00 34.41 C ATOM 1006 OD1 ASP A 157 30.552 -12.818 -0.851 1.00 44.04 O ATOM 1007 OD2 ASP A 157 29.494 -12.316 -2.706 1.00 71.15 O ATOM 0 H ASP A 157 26.337 -14.959 -0.571 1.00 13.23 H new ATOM 0 HA ASP A 157 27.807 -12.812 0.561 1.00 2.42 H new ATOM 0 HB2 ASP A 157 28.834 -14.684 -0.655 1.00 54.02 H new ATOM 0 HB3 ASP A 157 27.970 -14.251 -2.117 1.00 54.02 H new ATOM 1012 N SER A 158 25.966 -12.202 -2.097 1.00 12.30 N ATOM 1013 CA SER A 158 25.386 -11.173 -2.945 1.00 25.23 C ATOM 1014 C SER A 158 24.589 -10.154 -2.133 1.00 43.22 C ATOM 1015 O SER A 158 24.646 -8.952 -2.399 1.00 73.12 O ATOM 1016 CB SER A 158 24.476 -11.836 -3.975 1.00 22.35 C ATOM 1017 OG SER A 158 25.084 -13.003 -4.500 1.00 61.41 O ATOM 0 H SER A 158 25.651 -13.146 -2.320 1.00 12.30 H new ATOM 0 HA SER A 158 26.196 -10.638 -3.440 1.00 25.23 H new ATOM 0 HB2 SER A 158 23.522 -12.092 -3.514 1.00 22.35 H new ATOM 0 HB3 SER A 158 24.262 -11.136 -4.783 1.00 22.35 H new ATOM 0 HG SER A 158 24.486 -13.416 -5.157 1.00 61.41 H new ATOM 1023 N VAL A 159 23.864 -10.636 -1.128 1.00 62.51 N ATOM 1024 CA VAL A 159 22.977 -9.777 -0.352 1.00 42.23 C ATOM 1025 C VAL A 159 23.765 -8.817 0.535 1.00 1.13 C ATOM 1026 O VAL A 159 23.285 -7.733 0.862 1.00 71.13 O ATOM 1027 CB VAL A 159 22.005 -10.594 0.529 1.00 61.51 C ATOM 1028 CG1 VAL A 159 21.298 -11.661 -0.290 1.00 72.14 C ATOM 1029 CG2 VAL A 159 22.728 -11.211 1.713 1.00 73.32 C ATOM 0 H VAL A 159 23.873 -11.612 -0.833 1.00 62.51 H new ATOM 0 HA VAL A 159 22.397 -9.205 -1.076 1.00 42.23 H new ATOM 0 HB VAL A 159 21.250 -9.910 0.917 1.00 61.51 H new ATOM 0 HG11 VAL A 159 20.620 -12.223 0.352 1.00 72.14 H new ATOM 0 HG12 VAL A 159 20.731 -11.188 -1.092 1.00 72.14 H new ATOM 0 HG13 VAL A 159 22.036 -12.339 -0.719 1.00 72.14 H new ATOM 0 HG21 VAL A 159 22.020 -11.780 2.315 1.00 73.32 H new ATOM 0 HG22 VAL A 159 23.514 -11.875 1.354 1.00 73.32 H new ATOM 0 HG23 VAL A 159 23.170 -10.422 2.321 1.00 73.32 H new ATOM 1039 N ASP A 160 24.984 -9.202 0.899 1.00 41.24 N ATOM 1040 CA ASP A 160 25.787 -8.404 1.821 1.00 62.35 C ATOM 1041 C ASP A 160 26.243 -7.101 1.182 1.00 74.44 C ATOM 1042 O ASP A 160 26.551 -6.144 1.882 1.00 33.50 O ATOM 1043 CB ASP A 160 27.002 -9.186 2.330 1.00 23.12 C ATOM 1044 CG ASP A 160 26.671 -10.101 3.494 1.00 61.22 C ATOM 1045 OD1 ASP A 160 25.817 -9.727 4.327 1.00 63.44 O ATOM 1046 OD2 ASP A 160 27.291 -11.183 3.604 1.00 24.44 O ATOM 0 H ASP A 160 25.436 -10.056 0.572 1.00 41.24 H new ATOM 0 HA ASP A 160 25.146 -8.167 2.670 1.00 62.35 H new ATOM 0 HB2 ASP A 160 27.413 -9.780 1.514 1.00 23.12 H new ATOM 0 HB3 ASP A 160 27.777 -8.484 2.636 1.00 23.12 H new ATOM 1051 N LYS A 161 26.280 -7.056 -0.145 1.00 61.03 N ATOM 1052 CA LYS A 161 26.646 -5.826 -0.848 1.00 34.01 C ATOM 1053 C LYS A 161 25.398 -4.992 -1.104 1.00 23.45 C ATOM 1054 O LYS A 161 25.462 -3.897 -1.664 1.00 53.14 O ATOM 1055 CB LYS A 161 27.341 -6.105 -2.189 1.00 52.01 C ATOM 1056 CG LYS A 161 27.669 -7.564 -2.481 1.00 35.44 C ATOM 1057 CD LYS A 161 28.828 -8.069 -1.640 1.00 50.04 C ATOM 1058 CE LYS A 161 29.523 -9.240 -2.309 1.00 41.34 C ATOM 1059 NZ LYS A 161 30.759 -9.635 -1.583 1.00 24.00 N ATOM 0 H LYS A 161 26.064 -7.846 -0.753 1.00 61.03 H new ATOM 0 HA LYS A 161 27.347 -5.287 -0.211 1.00 34.01 H new ATOM 0 HB2 LYS A 161 26.705 -5.729 -2.990 1.00 52.01 H new ATOM 0 HB3 LYS A 161 28.267 -5.532 -2.222 1.00 52.01 H new ATOM 0 HG2 LYS A 161 26.789 -8.178 -2.290 1.00 35.44 H new ATOM 0 HG3 LYS A 161 27.913 -7.676 -3.538 1.00 35.44 H new ATOM 0 HD2 LYS A 161 29.543 -7.262 -1.480 1.00 50.04 H new ATOM 0 HD3 LYS A 161 28.463 -8.372 -0.658 1.00 50.04 H new ATOM 0 HE2 LYS A 161 28.841 -10.089 -2.355 1.00 41.34 H new ATOM 0 HE3 LYS A 161 29.773 -8.976 -3.336 1.00 41.34 H new ATOM 0 HZ1 LYS A 161 31.206 -10.438 -2.070 1.00 24.00 H new ATOM 0 HZ2 LYS A 161 31.420 -8.832 -1.560 1.00 24.00 H new ATOM 0 HZ3 LYS A 161 30.517 -9.911 -0.610 1.00 24.00 H new ATOM 1073 N ILE A 162 24.263 -5.526 -0.687 1.00 43.14 N ATOM 1074 CA ILE A 162 22.979 -4.891 -0.916 1.00 13.23 C ATOM 1075 C ILE A 162 22.413 -4.334 0.382 1.00 63.03 C ATOM 1076 O ILE A 162 22.112 -3.146 0.479 1.00 41.11 O ATOM 1077 CB ILE A 162 21.983 -5.902 -1.520 1.00 31.11 C ATOM 1078 CG1 ILE A 162 22.506 -6.408 -2.864 1.00 24.24 C ATOM 1079 CG2 ILE A 162 20.603 -5.281 -1.679 1.00 43.24 C ATOM 1080 CD1 ILE A 162 21.699 -7.548 -3.438 1.00 54.12 C ATOM 0 H ILE A 162 24.207 -6.410 -0.181 1.00 43.14 H new ATOM 0 HA ILE A 162 23.129 -4.069 -1.616 1.00 13.23 H new ATOM 0 HB ILE A 162 21.890 -6.746 -0.837 1.00 31.11 H new ATOM 0 HG12 ILE A 162 22.511 -5.583 -3.576 1.00 24.24 H new ATOM 0 HG13 ILE A 162 23.540 -6.731 -2.743 1.00 24.24 H new ATOM 0 HG21 ILE A 162 19.921 -6.015 -2.107 1.00 43.24 H new ATOM 0 HG22 ILE A 162 20.232 -4.965 -0.704 1.00 43.24 H new ATOM 0 HG23 ILE A 162 20.667 -4.417 -2.340 1.00 43.24 H new ATOM 0 HD11 ILE A 162 22.129 -7.854 -4.392 1.00 54.12 H new ATOM 0 HD12 ILE A 162 21.715 -8.390 -2.746 1.00 54.12 H new ATOM 0 HD13 ILE A 162 20.670 -7.224 -3.591 1.00 54.12 H new ATOM 1092 N VAL A 163 22.306 -5.198 1.385 1.00 22.21 N ATOM 1093 CA VAL A 163 21.676 -4.853 2.656 1.00 52.34 C ATOM 1094 C VAL A 163 22.530 -3.897 3.496 1.00 13.34 C ATOM 1095 O VAL A 163 22.115 -3.467 4.573 1.00 2.00 O ATOM 1096 CB VAL A 163 21.371 -6.125 3.476 1.00 54.24 C ATOM 1097 CG1 VAL A 163 20.476 -7.065 2.681 1.00 22.05 C ATOM 1098 CG2 VAL A 163 22.655 -6.830 3.891 1.00 20.33 C ATOM 0 H VAL A 163 22.653 -6.156 1.341 1.00 22.21 H new ATOM 0 HA VAL A 163 20.746 -4.340 2.411 1.00 52.34 H new ATOM 0 HB VAL A 163 20.845 -5.827 4.383 1.00 54.24 H new ATOM 0 HG11 VAL A 163 20.270 -7.957 3.272 1.00 22.05 H new ATOM 0 HG12 VAL A 163 19.539 -6.562 2.444 1.00 22.05 H new ATOM 0 HG13 VAL A 163 20.978 -7.350 1.756 1.00 22.05 H new ATOM 0 HG21 VAL A 163 22.410 -7.722 4.467 1.00 20.33 H new ATOM 0 HG22 VAL A 163 23.217 -7.115 3.002 1.00 20.33 H new ATOM 0 HG23 VAL A 163 23.258 -6.158 4.502 1.00 20.33 H new ATOM 1108 N ILE A 164 23.724 -3.578 3.008 1.00 24.41 N ATOM 1109 CA ILE A 164 24.594 -2.621 3.690 1.00 61.22 C ATOM 1110 C ILE A 164 24.094 -1.193 3.507 1.00 52.24 C ATOM 1111 O ILE A 164 24.284 -0.344 4.377 1.00 63.13 O ATOM 1112 CB ILE A 164 26.076 -2.730 3.248 1.00 62.15 C ATOM 1113 CG1 ILE A 164 26.220 -2.921 1.728 1.00 70.50 C ATOM 1114 CG2 ILE A 164 26.764 -3.861 3.997 1.00 34.52 C ATOM 1115 CD1 ILE A 164 26.163 -1.645 0.921 1.00 23.32 C ATOM 0 H ILE A 164 24.112 -3.965 2.147 1.00 24.41 H new ATOM 0 HA ILE A 164 24.554 -2.879 4.748 1.00 61.22 H new ATOM 0 HB ILE A 164 26.561 -1.786 3.497 1.00 62.15 H new ATOM 0 HG12 ILE A 164 27.168 -3.420 1.527 1.00 70.50 H new ATOM 0 HG13 ILE A 164 25.430 -3.588 1.383 1.00 70.50 H new ATOM 0 HG21 ILE A 164 27.804 -3.928 3.679 1.00 34.52 H new ATOM 0 HG22 ILE A 164 26.724 -3.665 5.068 1.00 34.52 H new ATOM 0 HG23 ILE A 164 26.257 -4.802 3.781 1.00 34.52 H new ATOM 0 HD11 ILE A 164 26.273 -1.879 -0.138 1.00 23.32 H new ATOM 0 HD12 ILE A 164 25.205 -1.153 1.086 1.00 23.32 H new ATOM 0 HD13 ILE A 164 26.970 -0.982 1.232 1.00 23.32 H new ATOM 1127 N GLN A 165 23.456 -0.934 2.378 1.00 34.21 N ATOM 1128 CA GLN A 165 22.816 0.354 2.156 1.00 3.14 C ATOM 1129 C GLN A 165 21.307 0.174 2.062 1.00 30.52 C ATOM 1130 O GLN A 165 20.808 -0.949 2.105 1.00 1.01 O ATOM 1131 CB GLN A 165 23.358 1.045 0.900 1.00 30.44 C ATOM 1132 CG GLN A 165 23.071 0.299 -0.388 1.00 72.31 C ATOM 1133 CD GLN A 165 23.508 1.069 -1.619 1.00 50.35 C ATOM 1134 OE1 GLN A 165 24.474 1.834 -1.581 1.00 42.41 O ATOM 1135 NE2 GLN A 165 22.791 0.881 -2.712 1.00 73.44 N ATOM 0 H GLN A 165 23.367 -1.593 1.605 1.00 34.21 H new ATOM 0 HA GLN A 165 23.046 0.998 3.005 1.00 3.14 H new ATOM 0 HB2 GLN A 165 22.927 2.044 0.833 1.00 30.44 H new ATOM 0 HB3 GLN A 165 24.436 1.169 1.003 1.00 30.44 H new ATOM 0 HG2 GLN A 165 23.581 -0.664 -0.367 1.00 72.31 H new ATOM 0 HG3 GLN A 165 22.003 0.093 -0.454 1.00 72.31 H new ATOM 0 HE21 GLN A 165 21.999 0.238 -2.698 1.00 73.44 H new ATOM 0 HE22 GLN A 165 23.029 1.379 -3.570 1.00 73.44 H new ATOM 1144 N LYS A 166 20.588 1.274 1.931 1.00 51.52 N ATOM 1145 CA LYS A 166 19.136 1.239 1.960 1.00 10.11 C ATOM 1146 C LYS A 166 18.539 1.611 0.611 1.00 5.12 C ATOM 1147 O LYS A 166 17.808 0.821 0.008 1.00 1.22 O ATOM 1148 CB LYS A 166 18.631 2.180 3.059 1.00 61.35 C ATOM 1149 CG LYS A 166 17.131 2.398 3.052 1.00 42.31 C ATOM 1150 CD LYS A 166 16.688 3.218 4.252 1.00 31.54 C ATOM 1151 CE LYS A 166 15.217 3.585 4.168 1.00 21.20 C ATOM 1152 NZ LYS A 166 14.716 4.196 5.424 1.00 4.14 N ATOM 0 H LYS A 166 20.986 2.204 1.803 1.00 51.52 H new ATOM 0 HA LYS A 166 18.816 0.220 2.179 1.00 10.11 H new ATOM 0 HB2 LYS A 166 18.923 1.777 4.029 1.00 61.35 H new ATOM 0 HB3 LYS A 166 19.127 3.145 2.952 1.00 61.35 H new ATOM 0 HG2 LYS A 166 16.839 2.907 2.133 1.00 42.31 H new ATOM 0 HG3 LYS A 166 16.621 1.435 3.059 1.00 42.31 H new ATOM 0 HD2 LYS A 166 16.871 2.653 5.166 1.00 31.54 H new ATOM 0 HD3 LYS A 166 17.287 4.127 4.313 1.00 31.54 H new ATOM 0 HE2 LYS A 166 15.065 4.280 3.343 1.00 21.20 H new ATOM 0 HE3 LYS A 166 14.634 2.692 3.944 1.00 21.20 H new ATOM 0 HZ1 LYS A 166 13.708 4.429 5.319 1.00 4.14 H new ATOM 0 HZ2 LYS A 166 14.836 3.524 6.209 1.00 4.14 H new ATOM 0 HZ3 LYS A 166 15.253 5.063 5.626 1.00 4.14 H new ATOM 1166 N TYR A 167 18.844 2.809 0.145 1.00 41.01 N ATOM 1167 CA TYR A 167 18.301 3.298 -1.110 1.00 2.12 C ATOM 1168 C TYR A 167 19.036 2.692 -2.298 1.00 60.21 C ATOM 1169 O TYR A 167 20.185 3.035 -2.578 1.00 33.32 O ATOM 1170 CB TYR A 167 18.378 4.822 -1.169 1.00 60.02 C ATOM 1171 CG TYR A 167 17.630 5.513 -0.051 1.00 52.44 C ATOM 1172 CD1 TYR A 167 18.112 6.688 0.508 1.00 33.44 C ATOM 1173 CD2 TYR A 167 16.444 4.988 0.450 1.00 71.23 C ATOM 1174 CE1 TYR A 167 17.435 7.324 1.530 1.00 11.05 C ATOM 1175 CE2 TYR A 167 15.762 5.618 1.470 1.00 44.34 C ATOM 1176 CZ TYR A 167 16.260 6.785 2.006 1.00 41.00 C ATOM 1177 OH TYR A 167 15.585 7.410 3.028 1.00 33.04 O ATOM 0 H TYR A 167 19.467 3.463 0.619 1.00 41.01 H new ATOM 0 HA TYR A 167 17.255 2.994 -1.162 1.00 2.12 H new ATOM 0 HB2 TYR A 167 19.424 5.125 -1.136 1.00 60.02 H new ATOM 0 HB3 TYR A 167 17.978 5.160 -2.125 1.00 60.02 H new ATOM 0 HD1 TYR A 167 19.033 7.113 0.137 1.00 33.44 H new ATOM 0 HD2 TYR A 167 16.051 4.072 0.034 1.00 71.23 H new ATOM 0 HE1 TYR A 167 17.824 8.238 1.953 1.00 11.05 H new ATOM 0 HE2 TYR A 167 14.841 5.198 1.847 1.00 44.34 H new ATOM 0 HH TYR A 167 14.776 6.902 3.244 1.00 33.04 H new ATOM 1187 N HIS A 168 18.361 1.789 -2.988 1.00 11.33 N ATOM 1188 CA HIS A 168 18.915 1.145 -4.168 1.00 10.11 C ATOM 1189 C HIS A 168 18.243 1.664 -5.421 1.00 50.44 C ATOM 1190 O HIS A 168 17.020 1.790 -5.476 1.00 42.00 O ATOM 1191 CB HIS A 168 18.757 -0.367 -4.083 1.00 73.41 C ATOM 1192 CG HIS A 168 19.859 -1.033 -3.327 1.00 72.34 C ATOM 1193 ND1 HIS A 168 20.905 -1.648 -3.972 1.00 5.23 N ATOM 1194 CD2 HIS A 168 20.027 -1.154 -1.994 1.00 31.35 C ATOM 1195 CE1 HIS A 168 21.683 -2.128 -3.020 1.00 64.05 C ATOM 1196 NE2 HIS A 168 21.193 -1.851 -1.805 1.00 23.43 N ATOM 0 H HIS A 168 17.418 1.482 -2.748 1.00 11.33 H new ATOM 0 HA HIS A 168 19.978 1.382 -4.213 1.00 10.11 H new ATOM 0 HB2 HIS A 168 17.805 -0.600 -3.605 1.00 73.41 H new ATOM 0 HB3 HIS A 168 18.717 -0.779 -5.091 1.00 73.41 H new ATOM 0 HD2 HIS A 168 19.370 -0.775 -1.225 1.00 31.35 H new ATOM 0 HE1 HIS A 168 22.598 -2.674 -3.198 1.00 64.05 H new ATOM 0 HE2 HIS A 168 21.608 -2.109 -0.910 1.00 23.43 H new ATOM 1204 N THR A 169 19.045 1.949 -6.425 1.00 42.24 N ATOM 1205 CA THR A 169 18.544 2.548 -7.642 1.00 1.40 C ATOM 1206 C THR A 169 18.212 1.486 -8.684 1.00 30.41 C ATOM 1207 O THR A 169 19.087 0.999 -9.398 1.00 34.20 O ATOM 1208 CB THR A 169 19.554 3.549 -8.226 1.00 73.40 C ATOM 1209 OG1 THR A 169 19.942 4.494 -7.220 1.00 61.12 O ATOM 1210 CG2 THR A 169 18.951 4.285 -9.410 1.00 21.24 C ATOM 0 H THR A 169 20.050 1.774 -6.421 1.00 42.24 H new ATOM 0 HA THR A 169 17.630 3.083 -7.384 1.00 1.40 H new ATOM 0 HB THR A 169 20.431 2.997 -8.564 1.00 73.40 H new ATOM 0 HG1 THR A 169 20.587 5.128 -7.598 1.00 61.12 H new ATOM 0 HG21 THR A 169 19.680 4.989 -9.810 1.00 21.24 H new ATOM 0 HG22 THR A 169 18.677 3.567 -10.183 1.00 21.24 H new ATOM 0 HG23 THR A 169 18.062 4.827 -9.087 1.00 21.24 H new ATOM 1218 N VAL A 170 16.944 1.129 -8.755 1.00 54.21 N ATOM 1219 CA VAL A 170 16.472 0.167 -9.732 1.00 64.02 C ATOM 1220 C VAL A 170 15.355 0.801 -10.553 1.00 54.10 C ATOM 1221 O VAL A 170 14.551 1.564 -10.014 1.00 42.13 O ATOM 1222 CB VAL A 170 15.982 -1.136 -9.052 1.00 73.31 C ATOM 1223 CG1 VAL A 170 14.872 -0.857 -8.054 1.00 35.25 C ATOM 1224 CG2 VAL A 170 15.525 -2.152 -10.082 1.00 11.24 C ATOM 0 H VAL A 170 16.216 1.495 -8.141 1.00 54.21 H new ATOM 0 HA VAL A 170 17.299 -0.105 -10.388 1.00 64.02 H new ATOM 0 HB VAL A 170 16.828 -1.556 -8.508 1.00 73.31 H new ATOM 0 HG11 VAL A 170 14.552 -1.792 -7.595 1.00 35.25 H new ATOM 0 HG12 VAL A 170 15.239 -0.181 -7.282 1.00 35.25 H new ATOM 0 HG13 VAL A 170 14.028 -0.397 -8.568 1.00 35.25 H new ATOM 0 HG21 VAL A 170 15.187 -3.056 -9.576 1.00 11.24 H new ATOM 0 HG22 VAL A 170 14.705 -1.734 -10.666 1.00 11.24 H new ATOM 0 HG23 VAL A 170 16.355 -2.396 -10.745 1.00 11.24 H new ATOM 1234 N ASN A 171 15.356 0.545 -11.866 1.00 31.12 N ATOM 1235 CA ASN A 171 14.351 1.105 -12.784 1.00 22.52 C ATOM 1236 C ASN A 171 14.586 2.613 -12.976 1.00 3.14 C ATOM 1237 O ASN A 171 13.968 3.253 -13.826 1.00 42.10 O ATOM 1238 CB ASN A 171 12.933 0.831 -12.241 1.00 55.31 C ATOM 1239 CG ASN A 171 11.822 0.874 -13.283 1.00 61.43 C ATOM 1240 OD1 ASN A 171 10.781 0.245 -13.101 1.00 14.51 O ATOM 1241 ND2 ASN A 171 12.018 1.594 -14.374 1.00 10.20 N ATOM 0 H ASN A 171 16.047 -0.051 -12.322 1.00 31.12 H new ATOM 0 HA ASN A 171 14.446 0.622 -13.757 1.00 22.52 H new ATOM 0 HB2 ASN A 171 12.926 -0.150 -11.766 1.00 55.31 H new ATOM 0 HB3 ASN A 171 12.710 1.563 -11.465 1.00 55.31 H new ATOM 0 HD21 ASN A 171 11.295 1.638 -15.092 1.00 10.20 H new ATOM 0 HD22 ASN A 171 12.892 2.105 -14.497 1.00 10.20 H new ATOM 1248 N GLY A 172 15.512 3.168 -12.204 1.00 62.35 N ATOM 1249 CA GLY A 172 15.765 4.594 -12.245 1.00 60.14 C ATOM 1250 C GLY A 172 15.258 5.285 -10.998 1.00 12.32 C ATOM 1251 O GLY A 172 15.390 6.499 -10.846 1.00 21.15 O ATOM 0 H GLY A 172 16.095 2.651 -11.546 1.00 62.35 H new ATOM 0 HA2 GLY A 172 16.835 4.771 -12.351 1.00 60.14 H new ATOM 0 HA3 GLY A 172 15.282 5.025 -13.122 1.00 60.14 H new ATOM 1255 N HIS A 173 14.678 4.501 -10.102 1.00 2.32 N ATOM 1256 CA HIS A 173 14.138 5.018 -8.854 1.00 72.32 C ATOM 1257 C HIS A 173 14.904 4.437 -7.668 1.00 52.30 C ATOM 1258 O HIS A 173 15.373 3.299 -7.721 1.00 42.40 O ATOM 1259 CB HIS A 173 12.644 4.679 -8.756 1.00 31.01 C ATOM 1260 CG HIS A 173 12.019 5.013 -7.434 1.00 11.21 C ATOM 1261 ND1 HIS A 173 11.913 6.308 -6.992 1.00 33.11 N ATOM 1262 CD2 HIS A 173 11.509 4.181 -6.497 1.00 10.14 C ATOM 1263 CE1 HIS A 173 11.346 6.234 -5.800 1.00 63.12 C ATOM 1264 NE2 HIS A 173 11.083 4.967 -5.460 1.00 20.42 N ATOM 0 H HIS A 173 14.569 3.494 -10.218 1.00 2.32 H new ATOM 0 HA HIS A 173 14.252 6.102 -8.835 1.00 72.32 H new ATOM 0 HB2 HIS A 173 12.110 5.213 -9.542 1.00 31.01 H new ATOM 0 HB3 HIS A 173 12.512 3.614 -8.948 1.00 31.01 H new ATOM 0 HD2 HIS A 173 11.449 3.104 -6.556 1.00 10.14 H new ATOM 0 HE1 HIS A 173 11.123 7.089 -5.179 1.00 63.12 H new ATOM 0 HE2 HIS A 173 10.648 4.648 -4.594 1.00 20.42 H new ATOM 1272 N ASN A 174 15.047 5.224 -6.612 1.00 45.14 N ATOM 1273 CA ASN A 174 15.721 4.757 -5.412 1.00 54.12 C ATOM 1274 C ASN A 174 14.720 4.123 -4.449 1.00 44.41 C ATOM 1275 O ASN A 174 13.925 4.800 -3.795 1.00 13.51 O ATOM 1276 CB ASN A 174 16.511 5.888 -4.725 1.00 52.03 C ATOM 1277 CG ASN A 174 15.650 7.032 -4.210 1.00 22.03 C ATOM 1278 OD1 ASN A 174 14.619 7.376 -4.791 1.00 22.40 O ATOM 1279 ND2 ASN A 174 16.072 7.629 -3.107 1.00 55.20 N ATOM 0 H ASN A 174 14.707 6.184 -6.562 1.00 45.14 H new ATOM 0 HA ASN A 174 16.442 3.996 -5.710 1.00 54.12 H new ATOM 0 HB2 ASN A 174 17.073 5.468 -3.891 1.00 52.03 H new ATOM 0 HB3 ASN A 174 17.240 6.287 -5.431 1.00 52.03 H new ATOM 0 HD21 ASN A 174 15.539 8.402 -2.710 1.00 55.20 H new ATOM 0 HD22 ASN A 174 16.931 7.316 -2.654 1.00 55.20 H new ATOM 1286 N CYS A 175 14.749 2.807 -4.392 1.00 12.54 N ATOM 1287 CA CYS A 175 13.866 2.058 -3.521 1.00 10.11 C ATOM 1288 C CYS A 175 14.572 1.741 -2.212 1.00 74.31 C ATOM 1289 O CYS A 175 15.769 1.986 -2.073 1.00 70.34 O ATOM 1290 CB CYS A 175 13.428 0.765 -4.209 1.00 12.45 C ATOM 1291 SG CYS A 175 14.803 -0.307 -4.694 1.00 61.51 S ATOM 0 H CYS A 175 15.382 2.229 -4.945 1.00 12.54 H new ATOM 0 HA CYS A 175 12.983 2.661 -3.307 1.00 10.11 H new ATOM 0 HB2 CYS A 175 12.769 0.213 -3.539 1.00 12.45 H new ATOM 0 HB3 CYS A 175 12.845 1.016 -5.095 1.00 12.45 H new ATOM 0 HG CYS A 175 15.830 0.423 -5.013 1.00 61.51 H new ATOM 1297 N GLU A 176 13.836 1.201 -1.262 1.00 55.44 N ATOM 1298 CA GLU A 176 14.407 0.816 0.014 1.00 11.33 C ATOM 1299 C GLU A 176 14.484 -0.700 0.109 1.00 10.12 C ATOM 1300 O GLU A 176 13.468 -1.389 -0.009 1.00 75.40 O ATOM 1301 CB GLU A 176 13.564 1.382 1.157 1.00 40.32 C ATOM 1302 CG GLU A 176 13.935 0.836 2.525 1.00 10.22 C ATOM 1303 CD GLU A 176 12.959 1.240 3.610 1.00 2.21 C ATOM 1304 OE1 GLU A 176 12.395 2.349 3.537 1.00 44.35 O ATOM 1305 OE2 GLU A 176 12.782 0.458 4.562 1.00 11.12 O ATOM 0 H GLU A 176 12.836 1.018 -1.350 1.00 55.44 H new ATOM 0 HA GLU A 176 15.415 1.223 0.093 1.00 11.33 H new ATOM 0 HB2 GLU A 176 13.668 2.467 1.169 1.00 40.32 H new ATOM 0 HB3 GLU A 176 12.514 1.165 0.963 1.00 40.32 H new ATOM 0 HG2 GLU A 176 13.983 -0.252 2.475 1.00 10.22 H new ATOM 0 HG3 GLU A 176 14.932 1.187 2.792 1.00 10.22 H new ATOM 1312 N VAL A 177 15.687 -1.221 0.302 1.00 52.15 N ATOM 1313 CA VAL A 177 15.872 -2.658 0.381 1.00 41.31 C ATOM 1314 C VAL A 177 16.225 -3.076 1.808 1.00 1.33 C ATOM 1315 O VAL A 177 16.870 -2.329 2.547 1.00 62.42 O ATOM 1316 CB VAL A 177 16.952 -3.161 -0.608 1.00 50.21 C ATOM 1317 CG1 VAL A 177 16.789 -2.502 -1.966 1.00 52.13 C ATOM 1318 CG2 VAL A 177 18.351 -2.956 -0.054 1.00 14.20 C ATOM 0 H VAL A 177 16.541 -0.674 0.406 1.00 52.15 H new ATOM 0 HA VAL A 177 14.927 -3.121 0.097 1.00 41.31 H new ATOM 0 HB VAL A 177 16.812 -4.234 -0.739 1.00 50.21 H new ATOM 0 HG11 VAL A 177 17.559 -2.871 -2.644 1.00 52.13 H new ATOM 0 HG12 VAL A 177 15.805 -2.740 -2.370 1.00 52.13 H new ATOM 0 HG13 VAL A 177 16.886 -1.422 -1.860 1.00 52.13 H new ATOM 0 HG21 VAL A 177 19.084 -3.320 -0.774 1.00 14.20 H new ATOM 0 HG22 VAL A 177 18.518 -1.895 0.129 1.00 14.20 H new ATOM 0 HG23 VAL A 177 18.456 -3.506 0.881 1.00 14.20 H new ATOM 1328 N ARG A 178 15.758 -4.252 2.204 1.00 74.53 N ATOM 1329 CA ARG A 178 16.040 -4.791 3.529 1.00 61.24 C ATOM 1330 C ARG A 178 16.419 -6.261 3.427 1.00 22.34 C ATOM 1331 O ARG A 178 16.294 -6.866 2.363 1.00 32.02 O ATOM 1332 CB ARG A 178 14.805 -4.670 4.428 1.00 45.11 C ATOM 1333 CG ARG A 178 14.082 -3.343 4.311 1.00 11.32 C ATOM 1334 CD ARG A 178 12.906 -3.265 5.273 1.00 43.24 C ATOM 1335 NE ARG A 178 12.178 -2.007 5.141 1.00 53.34 N ATOM 1336 CZ ARG A 178 10.881 -1.853 5.397 1.00 5.12 C ATOM 1337 NH1 ARG A 178 10.147 -2.871 5.829 1.00 25.11 N ATOM 1338 NH2 ARG A 178 10.322 -0.664 5.232 1.00 50.02 N ATOM 0 H ARG A 178 15.178 -4.856 1.622 1.00 74.53 H new ATOM 0 HA ARG A 178 16.865 -4.222 3.957 1.00 61.24 H new ATOM 0 HB2 ARG A 178 14.110 -5.473 4.182 1.00 45.11 H new ATOM 0 HB3 ARG A 178 15.108 -4.816 5.465 1.00 45.11 H new ATOM 0 HG2 ARG A 178 14.777 -2.529 4.517 1.00 11.32 H new ATOM 0 HG3 ARG A 178 13.728 -3.209 3.289 1.00 11.32 H new ATOM 0 HD2 ARG A 178 12.228 -4.098 5.086 1.00 43.24 H new ATOM 0 HD3 ARG A 178 13.266 -3.370 6.296 1.00 43.24 H new ATOM 0 HE ARG A 178 12.700 -1.188 4.831 1.00 53.34 H new ATOM 0 HH11 ARG A 178 10.576 -3.786 5.969 1.00 25.11 H new ATOM 0 HH12 ARG A 178 9.154 -2.738 6.021 1.00 25.11 H new ATOM 0 HH21 ARG A 178 10.885 0.124 4.911 1.00 50.02 H new ATOM 0 HH22 ARG A 178 9.329 -0.536 5.426 1.00 50.02 H new ATOM 1352 N LYS A 179 16.884 -6.832 4.530 1.00 4.13 N ATOM 1353 CA LYS A 179 17.069 -8.275 4.614 1.00 45.14 C ATOM 1354 C LYS A 179 15.699 -8.931 4.729 1.00 51.40 C ATOM 1355 O LYS A 179 14.991 -8.717 5.715 1.00 32.31 O ATOM 1356 CB LYS A 179 17.929 -8.646 5.832 1.00 24.43 C ATOM 1357 CG LYS A 179 19.295 -7.978 5.847 1.00 40.10 C ATOM 1358 CD LYS A 179 20.073 -8.269 7.127 1.00 52.45 C ATOM 1359 CE LYS A 179 20.636 -9.691 7.170 1.00 1.04 C ATOM 1360 NZ LYS A 179 19.591 -10.717 7.435 1.00 14.50 N ATOM 0 H LYS A 179 17.139 -6.321 5.375 1.00 4.13 H new ATOM 0 HA LYS A 179 17.584 -8.626 3.720 1.00 45.14 H new ATOM 0 HB2 LYS A 179 17.392 -8.373 6.740 1.00 24.43 H new ATOM 0 HB3 LYS A 179 18.064 -9.727 5.854 1.00 24.43 H new ATOM 0 HG2 LYS A 179 19.873 -8.320 4.989 1.00 40.10 H new ATOM 0 HG3 LYS A 179 19.170 -6.901 5.738 1.00 40.10 H new ATOM 0 HD2 LYS A 179 20.892 -7.556 7.218 1.00 52.45 H new ATOM 0 HD3 LYS A 179 19.420 -8.116 7.986 1.00 52.45 H new ATOM 0 HE2 LYS A 179 21.124 -9.913 6.221 1.00 1.04 H new ATOM 0 HE3 LYS A 179 21.402 -9.751 7.944 1.00 1.04 H new ATOM 0 HZ1 LYS A 179 20.045 -11.613 7.704 1.00 14.50 H new ATOM 0 HZ2 LYS A 179 18.976 -10.394 8.209 1.00 14.50 H new ATOM 0 HZ3 LYS A 179 19.021 -10.862 6.577 1.00 14.50 H new ATOM 1374 N ALA A 180 15.313 -9.699 3.720 1.00 13.45 N ATOM 1375 CA ALA A 180 13.985 -10.292 3.692 1.00 23.22 C ATOM 1376 C ALA A 180 13.849 -11.418 4.707 1.00 11.34 C ATOM 1377 O ALA A 180 14.270 -12.550 4.466 1.00 31.44 O ATOM 1378 CB ALA A 180 13.634 -10.785 2.297 1.00 62.22 C ATOM 0 H ALA A 180 15.897 -9.925 2.915 1.00 13.45 H new ATOM 0 HA ALA A 180 13.278 -9.509 3.968 1.00 23.22 H new ATOM 0 HB1 ALA A 180 12.636 -11.223 2.306 1.00 62.22 H new ATOM 0 HB2 ALA A 180 13.656 -9.948 1.599 1.00 62.22 H new ATOM 0 HB3 ALA A 180 14.358 -11.538 1.984 1.00 62.22 H new ATOM 1384 N LEU A 181 13.285 -11.084 5.855 1.00 2.53 N ATOM 1385 CA LEU A 181 12.966 -12.068 6.876 1.00 11.40 C ATOM 1386 C LEU A 181 11.501 -12.468 6.744 1.00 13.23 C ATOM 1387 O LEU A 181 10.650 -11.612 6.498 1.00 0.43 O ATOM 1388 CB LEU A 181 13.246 -11.518 8.289 1.00 10.34 C ATOM 1389 CG LEU A 181 12.317 -10.400 8.792 1.00 31.22 C ATOM 1390 CD1 LEU A 181 12.586 -10.112 10.257 1.00 32.24 C ATOM 1391 CD2 LEU A 181 12.487 -9.120 7.989 1.00 23.21 C ATOM 0 H LEU A 181 13.036 -10.127 6.105 1.00 2.53 H new ATOM 0 HA LEU A 181 13.601 -12.942 6.732 1.00 11.40 H new ATOM 0 HB2 LEU A 181 13.192 -12.348 8.994 1.00 10.34 H new ATOM 0 HB3 LEU A 181 14.270 -11.146 8.312 1.00 10.34 H new ATOM 0 HG LEU A 181 11.292 -10.750 8.665 1.00 31.22 H new ATOM 0 HD11 LEU A 181 11.922 -9.319 10.600 1.00 32.24 H new ATOM 0 HD12 LEU A 181 12.408 -11.013 10.844 1.00 32.24 H new ATOM 0 HD13 LEU A 181 13.622 -9.797 10.382 1.00 32.24 H new ATOM 0 HD21 LEU A 181 11.813 -8.356 8.376 1.00 23.21 H new ATOM 0 HD22 LEU A 181 13.517 -8.772 8.072 1.00 23.21 H new ATOM 0 HD23 LEU A 181 12.253 -9.313 6.942 1.00 23.21 H new ATOM 1403 N SER A 182 11.218 -13.759 6.882 1.00 15.21 N ATOM 1404 CA SER A 182 9.855 -14.272 6.769 1.00 11.33 C ATOM 1405 C SER A 182 8.896 -13.468 7.639 1.00 33.52 C ATOM 1406 O SER A 182 9.265 -13.006 8.717 1.00 4.41 O ATOM 1407 CB SER A 182 9.817 -15.747 7.178 1.00 40.31 C ATOM 1408 OG SER A 182 8.493 -16.252 7.171 1.00 14.24 O ATOM 0 H SER A 182 11.919 -14.475 7.074 1.00 15.21 H new ATOM 0 HA SER A 182 9.538 -14.176 5.730 1.00 11.33 H new ATOM 0 HB2 SER A 182 10.434 -16.331 6.496 1.00 40.31 H new ATOM 0 HB3 SER A 182 10.246 -15.861 8.173 1.00 40.31 H new ATOM 0 HG SER A 182 8.501 -17.196 7.435 1.00 14.24 H new ATOM 1414 N LYS A 183 7.665 -13.300 7.166 1.00 11.54 N ATOM 1415 CA LYS A 183 6.645 -12.595 7.935 1.00 44.14 C ATOM 1416 C LYS A 183 6.360 -13.346 9.230 1.00 4.33 C ATOM 1417 O LYS A 183 5.908 -12.765 10.217 1.00 20.04 O ATOM 1418 CB LYS A 183 5.367 -12.422 7.113 1.00 22.12 C ATOM 1419 CG LYS A 183 4.807 -13.719 6.557 1.00 11.31 C ATOM 1420 CD LYS A 183 3.600 -13.457 5.676 1.00 75.02 C ATOM 1421 CE LYS A 183 3.067 -14.739 5.054 1.00 15.22 C ATOM 1422 NZ LYS A 183 2.462 -15.650 6.062 1.00 64.33 N ATOM 0 H LYS A 183 7.350 -13.641 6.258 1.00 11.54 H new ATOM 0 HA LYS A 183 7.018 -11.601 8.182 1.00 44.14 H new ATOM 0 HB2 LYS A 183 4.608 -11.949 7.736 1.00 22.12 H new ATOM 0 HB3 LYS A 183 5.569 -11.742 6.286 1.00 22.12 H new ATOM 0 HG2 LYS A 183 5.576 -14.234 5.982 1.00 11.31 H new ATOM 0 HG3 LYS A 183 4.526 -14.379 7.378 1.00 11.31 H new ATOM 0 HD2 LYS A 183 2.814 -12.985 6.266 1.00 75.02 H new ATOM 0 HD3 LYS A 183 3.871 -12.755 4.887 1.00 75.02 H new ATOM 0 HE2 LYS A 183 2.321 -14.490 4.299 1.00 15.22 H new ATOM 0 HE3 LYS A 183 3.879 -15.256 4.542 1.00 15.22 H new ATOM 0 HZ1 LYS A 183 2.054 -16.477 5.582 1.00 64.33 H new ATOM 0 HZ2 LYS A 183 3.195 -15.964 6.730 1.00 64.33 H new ATOM 0 HZ3 LYS A 183 1.714 -15.146 6.580 1.00 64.33 H new ATOM 1436 N GLN A 184 6.654 -14.637 9.217 1.00 33.40 N ATOM 1437 CA GLN A 184 6.543 -15.466 10.401 1.00 41.12 C ATOM 1438 C GLN A 184 7.686 -15.144 11.356 1.00 14.54 C ATOM 1439 O GLN A 184 7.499 -15.031 12.568 1.00 33.42 O ATOM 1440 CB GLN A 184 6.597 -16.938 10.001 1.00 11.50 C ATOM 1441 CG GLN A 184 6.210 -17.892 11.119 1.00 33.31 C ATOM 1442 CD GLN A 184 4.806 -17.652 11.644 1.00 2.13 C ATOM 1443 OE1 GLN A 184 3.916 -17.217 10.910 1.00 14.23 O ATOM 1444 NE2 GLN A 184 4.604 -17.930 12.921 1.00 1.12 N ATOM 0 H GLN A 184 6.975 -15.136 8.387 1.00 33.40 H new ATOM 0 HA GLN A 184 5.594 -15.266 10.899 1.00 41.12 H new ATOM 0 HB2 GLN A 184 5.932 -17.099 9.152 1.00 11.50 H new ATOM 0 HB3 GLN A 184 7.606 -17.177 9.665 1.00 11.50 H new ATOM 0 HG2 GLN A 184 6.286 -18.917 10.757 1.00 33.31 H new ATOM 0 HG3 GLN A 184 6.921 -17.790 11.939 1.00 33.31 H new ATOM 0 HE21 GLN A 184 5.369 -18.288 13.492 1.00 1.12 H new ATOM 0 HE22 GLN A 184 3.683 -17.786 13.335 1.00 1.12 H new ATOM 1453 N GLU A 185 8.869 -14.967 10.785 1.00 40.43 N ATOM 1454 CA GLU A 185 10.069 -14.698 11.558 1.00 24.30 C ATOM 1455 C GLU A 185 10.059 -13.279 12.100 1.00 75.30 C ATOM 1456 O GLU A 185 10.426 -13.046 13.247 1.00 53.45 O ATOM 1457 CB GLU A 185 11.310 -14.913 10.695 1.00 24.42 C ATOM 1458 CG GLU A 185 11.493 -16.350 10.247 1.00 52.13 C ATOM 1459 CD GLU A 185 11.809 -17.279 11.396 1.00 23.53 C ATOM 1460 OE1 GLU A 185 12.887 -17.126 12.006 1.00 71.22 O ATOM 1461 OE2 GLU A 185 10.992 -18.177 11.685 1.00 33.32 O ATOM 0 H GLU A 185 9.022 -15.006 9.777 1.00 40.43 H new ATOM 0 HA GLU A 185 10.092 -15.390 12.400 1.00 24.30 H new ATOM 0 HB2 GLU A 185 11.247 -14.272 9.816 1.00 24.42 H new ATOM 0 HB3 GLU A 185 12.191 -14.600 11.255 1.00 24.42 H new ATOM 0 HG2 GLU A 185 10.585 -16.690 9.748 1.00 52.13 H new ATOM 0 HG3 GLU A 185 12.297 -16.399 9.513 1.00 52.13 H new ATOM 1468 N MET A 186 9.617 -12.334 11.280 1.00 53.14 N ATOM 1469 CA MET A 186 9.598 -10.932 11.676 1.00 42.35 C ATOM 1470 C MET A 186 8.643 -10.714 12.846 1.00 72.24 C ATOM 1471 O MET A 186 8.803 -9.776 13.621 1.00 63.24 O ATOM 1472 CB MET A 186 9.214 -10.028 10.495 1.00 20.25 C ATOM 1473 CG MET A 186 7.744 -10.079 10.115 1.00 14.13 C ATOM 1474 SD MET A 186 7.323 -8.864 8.853 1.00 72.04 S ATOM 1475 CE MET A 186 8.580 -9.217 7.627 1.00 64.43 C ATOM 0 H MET A 186 9.268 -12.512 10.338 1.00 53.14 H new ATOM 0 HA MET A 186 10.605 -10.663 11.996 1.00 42.35 H new ATOM 0 HB2 MET A 186 9.477 -8.999 10.741 1.00 20.25 H new ATOM 0 HB3 MET A 186 9.811 -10.311 9.628 1.00 20.25 H new ATOM 0 HG2 MET A 186 7.499 -11.077 9.752 1.00 14.13 H new ATOM 0 HG3 MET A 186 7.135 -9.904 11.002 1.00 14.13 H new ATOM 0 HE1 MET A 186 8.228 -8.904 6.644 1.00 64.43 H new ATOM 0 HE2 MET A 186 9.493 -8.675 7.875 1.00 64.43 H new ATOM 0 HE3 MET A 186 8.786 -10.287 7.614 1.00 64.43 H new