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 173 HIS : no HE2:sc= 1.11 K(o=2,f=-6.2!) USER MOD Set 1.2: A 175 CYS SG : rot 180:sc= 0.929 USER MOD Set 2.1: A 124 TYR OH : rot 64:sc= 1.15 USER MOD Set 2.2: A 128 TYR OH : rot 30:sc= 0.977 USER MOD Set 2.3: A 165 GLN : amide:sc= -0.0319 X(o=-3.6,f=-3.6) USER MOD Set 2.4: A 168 HIS : no HD1:sc= -5.71! C(o=-3.6!,f=-8.9!) USER MOD Set 3.1: A 106 LYS NZ :NH3+ 170:sc= 1.14 (180deg=1.05) USER MOD Set 3.2: A 152 THR OG1 : rot -130:sc= -2.69! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.046) USER MOD Single : A 120 HIS : no HE2:sc= 1.35 K(o=1.3,f=-4.4!) USER MOD Single : A 127 GLN : amide:sc= 1.1 K(o=1.1,f=-0.18) USER MOD Single : A 130 LYS NZ :NH3+ 166:sc= 0.331 (180deg=0.251) USER MOD Single : A 137 MET CE :methyl -178:sc= 0 (180deg=-0.00359) USER MOD Single : A 156 HIS : no HD1:sc= -0.45 X(o=-0.45,f=-0.097) USER MOD Single : A 158 SER OG : rot 180:sc= -0.559 USER MOD Single : A 161 LYS NZ :NH3+ -124:sc= 0.482 (180deg=-3.02!) 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= -1.2 K(o=-1.2,f=-0.36) USER MOD Single : A 174 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.8!) USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 121:sc= 1.27 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 MET CE :methyl -159:sc= -0.185 (180deg=-0.834) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.057 -13.997 5.407 1.00 42.32 N ATOM 137 CA VAL A 104 19.891 -13.881 4.550 1.00 3.33 C ATOM 138 C VAL A 104 20.262 -14.205 3.101 1.00 65.31 C ATOM 139 O VAL A 104 21.373 -13.920 2.663 1.00 12.03 O ATOM 140 CB VAL A 104 19.279 -12.460 4.656 1.00 32.23 C ATOM 141 CG1 VAL A 104 20.072 -11.445 3.847 1.00 65.12 C ATOM 142 CG2 VAL A 104 17.818 -12.459 4.248 1.00 12.25 C ATOM 0 HA VAL A 104 19.142 -14.600 4.882 1.00 3.33 H new ATOM 0 HB VAL A 104 19.336 -12.161 5.703 1.00 32.23 H new ATOM 0 HG11 VAL A 104 19.612 -10.462 3.946 1.00 65.12 H new ATOM 0 HG12 VAL A 104 21.097 -11.406 4.217 1.00 65.12 H new ATOM 0 HG13 VAL A 104 20.076 -11.739 2.798 1.00 65.12 H new ATOM 0 HG21 VAL A 104 17.417 -11.449 4.333 1.00 12.25 H new ATOM 0 HG22 VAL A 104 17.728 -12.800 3.216 1.00 12.25 H new ATOM 0 HG23 VAL A 104 17.257 -13.128 4.901 1.00 12.25 H new ATOM 152 N LYS A 105 19.347 -14.831 2.375 1.00 31.00 N ATOM 153 CA LYS A 105 19.582 -15.170 0.974 1.00 60.34 C ATOM 154 C LYS A 105 18.515 -14.545 0.087 1.00 62.45 C ATOM 155 O LYS A 105 18.345 -14.920 -1.071 1.00 12.54 O ATOM 156 CB LYS A 105 19.613 -16.690 0.791 1.00 22.31 C ATOM 157 CG LYS A 105 20.906 -17.332 1.276 1.00 35.20 C ATOM 158 CD LYS A 105 20.642 -18.540 2.161 1.00 45.15 C ATOM 159 CE LYS A 105 19.795 -18.177 3.371 1.00 62.02 C ATOM 160 NZ LYS A 105 19.667 -19.312 4.321 1.00 0.44 N ATOM 0 H LYS A 105 18.434 -15.116 2.730 1.00 31.00 H new ATOM 0 HA LYS A 105 20.551 -14.767 0.678 1.00 60.34 H new ATOM 0 HB2 LYS A 105 18.773 -17.130 1.329 1.00 22.31 H new ATOM 0 HB3 LYS A 105 19.473 -16.924 -0.264 1.00 22.31 H new ATOM 0 HG2 LYS A 105 21.505 -17.635 0.417 1.00 35.20 H new ATOM 0 HG3 LYS A 105 21.491 -16.597 1.829 1.00 35.20 H new ATOM 0 HD2 LYS A 105 20.136 -19.312 1.581 1.00 45.15 H new ATOM 0 HD3 LYS A 105 21.591 -18.961 2.494 1.00 45.15 H new ATOM 0 HE2 LYS A 105 20.241 -17.324 3.883 1.00 62.02 H new ATOM 0 HE3 LYS A 105 18.804 -17.868 3.040 1.00 62.02 H new ATOM 0 HZ1 LYS A 105 19.082 -19.023 5.131 1.00 0.44 H new ATOM 0 HZ2 LYS A 105 19.218 -20.118 3.841 1.00 0.44 H new ATOM 0 HZ3 LYS A 105 20.611 -19.591 4.657 1.00 0.44 H new ATOM 174 N LYS A 106 17.817 -13.571 0.643 1.00 62.32 N ATOM 175 CA LYS A 106 16.777 -12.856 -0.074 1.00 61.33 C ATOM 176 C LYS A 106 16.632 -11.454 0.495 1.00 62.44 C ATOM 177 O LYS A 106 16.653 -11.265 1.709 1.00 10.04 O ATOM 178 CB LYS A 106 15.448 -13.618 0.010 1.00 14.44 C ATOM 179 CG LYS A 106 14.279 -12.886 -0.629 1.00 5.35 C ATOM 180 CD LYS A 106 13.229 -13.857 -1.141 1.00 24.04 C ATOM 181 CE LYS A 106 12.608 -14.673 -0.024 1.00 1.23 C ATOM 182 NZ LYS A 106 11.864 -15.842 -0.555 1.00 2.34 N ATOM 0 H LYS A 106 17.955 -13.254 1.603 1.00 62.32 H new ATOM 0 HA LYS A 106 17.056 -12.780 -1.125 1.00 61.33 H new ATOM 0 HB2 LYS A 106 15.565 -14.588 -0.473 1.00 14.44 H new ATOM 0 HB3 LYS A 106 15.216 -13.810 1.058 1.00 14.44 H new ATOM 0 HG2 LYS A 106 13.828 -12.212 0.099 1.00 5.35 H new ATOM 0 HG3 LYS A 106 14.640 -12.271 -1.453 1.00 5.35 H new ATOM 0 HD2 LYS A 106 12.448 -13.303 -1.661 1.00 24.04 H new ATOM 0 HD3 LYS A 106 13.683 -14.529 -1.870 1.00 24.04 H new ATOM 0 HE2 LYS A 106 13.388 -15.015 0.656 1.00 1.23 H new ATOM 0 HE3 LYS A 106 11.933 -14.044 0.556 1.00 1.23 H new ATOM 0 HZ1 LYS A 106 11.597 -16.469 0.230 1.00 2.34 H new ATOM 0 HZ2 LYS A 106 11.006 -15.515 -1.044 1.00 2.34 H new ATOM 0 HZ3 LYS A 106 12.467 -16.362 -1.224 1.00 2.34 H new ATOM 196 N ILE A 107 16.505 -10.470 -0.376 1.00 44.21 N ATOM 197 CA ILE A 107 16.391 -9.091 0.062 1.00 13.51 C ATOM 198 C ILE A 107 14.950 -8.607 -0.049 1.00 13.01 C ATOM 199 O ILE A 107 14.132 -9.208 -0.750 1.00 0.34 O ATOM 200 CB ILE A 107 17.300 -8.151 -0.746 1.00 64.42 C ATOM 201 CG1 ILE A 107 16.808 -8.060 -2.183 1.00 30.30 C ATOM 202 CG2 ILE A 107 18.742 -8.636 -0.699 1.00 13.40 C ATOM 203 CD1 ILE A 107 17.200 -6.775 -2.851 1.00 41.14 C ATOM 0 H ILE A 107 16.478 -10.599 -1.387 1.00 44.21 H new ATOM 0 HA ILE A 107 16.710 -9.067 1.104 1.00 13.51 H new ATOM 0 HB ILE A 107 17.263 -7.156 -0.303 1.00 64.42 H new ATOM 0 HG12 ILE A 107 17.209 -8.898 -2.753 1.00 30.30 H new ATOM 0 HG13 ILE A 107 15.722 -8.155 -2.197 1.00 30.30 H new ATOM 0 HG21 ILE A 107 19.372 -7.959 -1.276 1.00 13.40 H new ATOM 0 HG22 ILE A 107 19.085 -8.658 0.335 1.00 13.40 H new ATOM 0 HG23 ILE A 107 18.803 -9.638 -1.123 1.00 13.40 H new ATOM 0 HD11 ILE A 107 16.822 -6.766 -3.873 1.00 41.14 H new ATOM 0 HD12 ILE A 107 16.777 -5.935 -2.300 1.00 41.14 H new ATOM 0 HD13 ILE A 107 18.287 -6.689 -2.865 1.00 41.14 H new ATOM 215 N PHE A 108 14.656 -7.518 0.637 1.00 21.10 N ATOM 216 CA PHE A 108 13.317 -6.958 0.672 1.00 42.12 C ATOM 217 C PHE A 108 13.276 -5.636 -0.081 1.00 45.31 C ATOM 218 O PHE A 108 13.853 -4.644 0.361 1.00 74.01 O ATOM 219 CB PHE A 108 12.876 -6.748 2.125 1.00 25.23 C ATOM 220 CG PHE A 108 11.557 -6.040 2.270 1.00 23.41 C ATOM 221 CD1 PHE A 108 10.384 -6.637 1.843 1.00 44.30 C ATOM 222 CD2 PHE A 108 11.494 -4.778 2.841 1.00 42.20 C ATOM 223 CE1 PHE A 108 9.172 -5.992 1.981 1.00 42.43 C ATOM 224 CE2 PHE A 108 10.284 -4.127 2.979 1.00 11.34 C ATOM 225 CZ PHE A 108 9.122 -4.736 2.550 1.00 74.11 C ATOM 0 H PHE A 108 15.339 -6.996 1.186 1.00 21.10 H new ATOM 0 HA PHE A 108 12.633 -7.656 0.189 1.00 42.12 H new ATOM 0 HB2 PHE A 108 12.812 -7.718 2.618 1.00 25.23 H new ATOM 0 HB3 PHE A 108 13.643 -6.176 2.647 1.00 25.23 H new ATOM 0 HD1 PHE A 108 10.417 -7.620 1.396 1.00 44.30 H new ATOM 0 HD2 PHE A 108 12.400 -4.299 3.181 1.00 42.20 H new ATOM 0 HE1 PHE A 108 8.264 -6.470 1.644 1.00 42.43 H new ATOM 0 HE2 PHE A 108 10.247 -3.143 3.422 1.00 11.34 H new ATOM 0 HZ PHE A 108 8.174 -4.230 2.660 1.00 74.11 H new ATOM 235 N VAL A 109 12.605 -5.626 -1.218 1.00 40.21 N ATOM 236 CA VAL A 109 12.429 -4.404 -1.981 1.00 31.23 C ATOM 237 C VAL A 109 11.057 -3.816 -1.673 1.00 63.35 C ATOM 238 O VAL A 109 10.059 -4.180 -2.294 1.00 63.22 O ATOM 239 CB VAL A 109 12.562 -4.648 -3.499 1.00 74.55 C ATOM 240 CG1 VAL A 109 12.590 -3.331 -4.256 1.00 5.13 C ATOM 241 CG2 VAL A 109 13.804 -5.471 -3.808 1.00 24.45 C ATOM 0 H VAL A 109 12.173 -6.451 -1.634 1.00 40.21 H new ATOM 0 HA VAL A 109 13.215 -3.707 -1.691 1.00 31.23 H new ATOM 0 HB VAL A 109 11.689 -5.212 -3.828 1.00 74.55 H new ATOM 0 HG11 VAL A 109 12.684 -3.527 -5.324 1.00 5.13 H new ATOM 0 HG12 VAL A 109 11.667 -2.783 -4.068 1.00 5.13 H new ATOM 0 HG13 VAL A 109 13.439 -2.736 -3.920 1.00 5.13 H new ATOM 0 HG21 VAL A 109 13.877 -5.630 -4.884 1.00 24.45 H new ATOM 0 HG22 VAL A 109 14.689 -4.939 -3.459 1.00 24.45 H new ATOM 0 HG23 VAL A 109 13.737 -6.434 -3.302 1.00 24.45 H new ATOM 251 N GLY A 110 11.008 -2.935 -0.684 1.00 42.03 N ATOM 252 CA GLY A 110 9.739 -2.401 -0.232 1.00 23.02 C ATOM 253 C GLY A 110 9.518 -0.967 -0.658 1.00 3.35 C ATOM 254 O GLY A 110 8.408 -0.591 -1.038 1.00 52.13 O ATOM 0 H GLY A 110 11.825 -2.580 -0.186 1.00 42.03 H new ATOM 0 HA2 GLY A 110 8.931 -3.019 -0.623 1.00 23.02 H new ATOM 0 HA3 GLY A 110 9.691 -2.463 0.855 1.00 23.02 H new ATOM 347 N GLU A 117 9.144 -4.616 -11.779 1.00 51.54 N ATOM 348 CA GLU A 117 8.914 -6.050 -11.808 1.00 2.22 C ATOM 349 C GLU A 117 10.206 -6.844 -11.627 1.00 44.31 C ATOM 350 O GLU A 117 11.256 -6.289 -11.296 1.00 41.34 O ATOM 351 CB GLU A 117 8.238 -6.456 -13.120 1.00 34.11 C ATOM 352 CG GLU A 117 9.169 -6.498 -14.315 1.00 30.34 C ATOM 353 CD GLU A 117 8.899 -7.697 -15.197 1.00 31.23 C ATOM 354 OE1 GLU A 117 9.619 -8.708 -15.060 1.00 24.12 O ATOM 355 OE2 GLU A 117 7.958 -7.643 -16.012 1.00 74.53 O ATOM 0 HA GLU A 117 8.258 -6.286 -10.970 1.00 2.22 H new ATOM 0 HB2 GLU A 117 7.785 -7.439 -12.993 1.00 34.11 H new ATOM 0 HB3 GLU A 117 7.428 -5.757 -13.329 1.00 34.11 H new ATOM 0 HG2 GLU A 117 9.053 -5.585 -14.898 1.00 30.34 H new ATOM 0 HG3 GLU A 117 10.202 -6.526 -13.970 1.00 30.34 H new ATOM 362 N GLU A 118 10.099 -8.149 -11.864 1.00 62.20 N ATOM 363 CA GLU A 118 11.206 -9.079 -11.718 1.00 61.33 C ATOM 364 C GLU A 118 12.389 -8.698 -12.599 1.00 11.53 C ATOM 365 O GLU A 118 13.524 -8.644 -12.124 1.00 62.04 O ATOM 366 CB GLU A 118 10.725 -10.499 -12.041 1.00 1.53 C ATOM 367 CG GLU A 118 11.836 -11.465 -12.419 1.00 24.22 C ATOM 368 CD GLU A 118 11.331 -12.869 -12.672 1.00 72.33 C ATOM 369 OE1 GLU A 118 10.307 -13.023 -13.370 1.00 42.44 O ATOM 370 OE2 GLU A 118 11.960 -13.828 -12.184 1.00 74.04 O ATOM 0 H GLU A 118 9.231 -8.591 -12.166 1.00 62.20 H new ATOM 0 HA GLU A 118 11.553 -9.037 -10.686 1.00 61.33 H new ATOM 0 HB2 GLU A 118 10.193 -10.896 -11.176 1.00 1.53 H new ATOM 0 HB3 GLU A 118 10.008 -10.450 -12.861 1.00 1.53 H new ATOM 0 HG2 GLU A 118 12.341 -11.099 -13.313 1.00 24.22 H new ATOM 0 HG3 GLU A 118 12.578 -11.489 -11.621 1.00 24.22 H new ATOM 377 N HIS A 119 12.128 -8.427 -13.875 1.00 50.53 N ATOM 378 CA HIS A 119 13.197 -8.106 -14.809 1.00 61.42 C ATOM 379 C HIS A 119 13.944 -6.849 -14.359 1.00 24.35 C ATOM 380 O HIS A 119 15.155 -6.756 -14.521 1.00 22.13 O ATOM 381 CB HIS A 119 12.647 -7.968 -16.245 1.00 51.43 C ATOM 382 CG HIS A 119 12.566 -6.566 -16.783 1.00 53.33 C ATOM 383 ND1 HIS A 119 13.608 -6.019 -17.492 1.00 52.51 N ATOM 384 CD2 HIS A 119 11.564 -5.657 -16.696 1.00 34.22 C ATOM 385 CE1 HIS A 119 13.224 -4.798 -17.817 1.00 63.42 C ATOM 386 NE2 HIS A 119 11.994 -4.535 -17.359 1.00 14.04 N ATOM 0 H HIS A 119 11.192 -8.424 -14.281 1.00 50.53 H new ATOM 0 HA HIS A 119 13.914 -8.927 -14.816 1.00 61.42 H new ATOM 0 HB2 HIS A 119 13.275 -8.557 -16.913 1.00 51.43 H new ATOM 0 HB3 HIS A 119 11.650 -8.407 -16.276 1.00 51.43 H new ATOM 0 HD2 HIS A 119 10.613 -5.790 -16.202 1.00 34.22 H new ATOM 0 HE1 HIS A 119 13.826 -4.100 -18.381 1.00 63.42 H new ATOM 0 HE2 HIS A 119 11.475 -3.665 -17.480 1.00 14.04 H new ATOM 394 N HIS A 120 13.216 -5.905 -13.769 1.00 62.03 N ATOM 395 CA HIS A 120 13.822 -4.681 -13.259 1.00 21.20 C ATOM 396 C HIS A 120 14.783 -4.997 -12.123 1.00 23.24 C ATOM 397 O HIS A 120 15.973 -4.669 -12.184 1.00 61.33 O ATOM 398 CB HIS A 120 12.751 -3.713 -12.749 1.00 10.14 C ATOM 399 CG HIS A 120 11.899 -3.115 -13.819 1.00 75.44 C ATOM 400 ND1 HIS A 120 10.572 -3.442 -13.942 1.00 40.33 N ATOM 401 CD2 HIS A 120 12.220 -2.201 -14.763 1.00 63.04 C ATOM 402 CE1 HIS A 120 10.114 -2.725 -14.952 1.00 3.31 C ATOM 403 NE2 HIS A 120 11.077 -1.958 -15.481 1.00 54.13 N ATOM 0 H HIS A 120 12.207 -5.965 -13.633 1.00 62.03 H new ATOM 0 HA HIS A 120 14.366 -4.214 -14.080 1.00 21.20 H new ATOM 0 HB2 HIS A 120 12.109 -4.240 -12.043 1.00 10.14 H new ATOM 0 HB3 HIS A 120 13.238 -2.909 -12.198 1.00 10.14 H new ATOM 0 HD1 HIS A 120 10.047 -4.104 -13.370 1.00 40.33 H new ATOM 0 HD2 HIS A 120 13.189 -1.750 -14.921 1.00 63.04 H new ATOM 0 HE1 HIS A 120 9.094 -2.753 -15.306 1.00 3.31 H new ATOM 411 N LEU A 121 14.252 -5.650 -11.095 1.00 42.22 N ATOM 412 CA LEU A 121 15.016 -5.971 -9.898 1.00 2.23 C ATOM 413 C LEU A 121 16.216 -6.847 -10.239 1.00 1.11 C ATOM 414 O LEU A 121 17.353 -6.525 -9.891 1.00 52.41 O ATOM 415 CB LEU A 121 14.125 -6.688 -8.880 1.00 42.21 C ATOM 416 CG LEU A 121 12.860 -5.931 -8.464 1.00 30.44 C ATOM 417 CD1 LEU A 121 12.041 -6.755 -7.487 1.00 30.21 C ATOM 418 CD2 LEU A 121 13.215 -4.586 -7.853 1.00 31.44 C ATOM 0 H LEU A 121 13.284 -5.970 -11.069 1.00 42.22 H new ATOM 0 HA LEU A 121 15.378 -5.038 -9.466 1.00 2.23 H new ATOM 0 HB2 LEU A 121 13.831 -7.652 -9.296 1.00 42.21 H new ATOM 0 HB3 LEU A 121 14.715 -6.893 -7.987 1.00 42.21 H new ATOM 0 HG LEU A 121 12.260 -5.756 -9.357 1.00 30.44 H new ATOM 0 HD11 LEU A 121 11.147 -6.200 -7.203 1.00 30.21 H new ATOM 0 HD12 LEU A 121 11.751 -7.695 -7.957 1.00 30.21 H new ATOM 0 HD13 LEU A 121 12.636 -6.963 -6.598 1.00 30.21 H new ATOM 0 HD21 LEU A 121 12.302 -4.065 -7.565 1.00 31.44 H new ATOM 0 HD22 LEU A 121 13.839 -4.740 -6.972 1.00 31.44 H new ATOM 0 HD23 LEU A 121 13.759 -3.987 -8.583 1.00 31.44 H new ATOM 430 N ARG A 122 15.956 -7.942 -10.942 1.00 30.13 N ATOM 431 CA ARG A 122 17.001 -8.892 -11.292 1.00 23.24 C ATOM 432 C ARG A 122 18.096 -8.234 -12.119 1.00 1.23 C ATOM 433 O ARG A 122 19.273 -8.428 -11.846 1.00 5.22 O ATOM 434 CB ARG A 122 16.413 -10.083 -12.051 1.00 13.22 C ATOM 435 CG ARG A 122 17.465 -10.982 -12.679 1.00 24.12 C ATOM 436 CD ARG A 122 17.395 -12.403 -12.140 1.00 74.15 C ATOM 437 NE ARG A 122 16.075 -13.008 -12.318 1.00 1.52 N ATOM 438 CZ ARG A 122 15.773 -14.257 -11.957 1.00 62.33 C ATOM 439 NH1 ARG A 122 16.709 -15.055 -11.455 1.00 43.20 N ATOM 440 NH2 ARG A 122 14.537 -14.715 -12.108 1.00 74.44 N ATOM 0 H ARG A 122 15.028 -8.193 -11.281 1.00 30.13 H new ATOM 0 HA ARG A 122 17.446 -9.249 -10.363 1.00 23.24 H new ATOM 0 HB2 ARG A 122 15.803 -10.674 -11.368 1.00 13.22 H new ATOM 0 HB3 ARG A 122 15.749 -9.713 -12.833 1.00 13.22 H new ATOM 0 HG2 ARG A 122 17.330 -10.997 -13.761 1.00 24.12 H new ATOM 0 HG3 ARG A 122 18.456 -10.570 -12.487 1.00 24.12 H new ATOM 0 HD2 ARG A 122 18.142 -13.016 -12.644 1.00 74.15 H new ATOM 0 HD3 ARG A 122 17.648 -12.398 -11.080 1.00 74.15 H new ATOM 0 HE ARG A 122 15.341 -12.441 -12.744 1.00 1.52 H new ATOM 0 HH11 ARG A 122 17.664 -14.714 -11.344 1.00 43.20 H new ATOM 0 HH12 ARG A 122 16.473 -16.009 -11.181 1.00 43.20 H new ATOM 0 HH21 ARG A 122 13.814 -14.112 -12.501 1.00 74.44 H new ATOM 0 HH22 ARG A 122 14.310 -15.670 -11.831 1.00 74.44 H new ATOM 454 N ASP A 123 17.704 -7.427 -13.096 1.00 22.45 N ATOM 455 CA ASP A 123 18.663 -6.810 -14.014 1.00 73.24 C ATOM 456 C ASP A 123 19.609 -5.876 -13.267 1.00 42.12 C ATOM 457 O ASP A 123 20.714 -5.586 -13.731 1.00 61.41 O ATOM 458 CB ASP A 123 17.929 -6.046 -15.115 1.00 42.33 C ATOM 459 CG ASP A 123 18.863 -5.463 -16.153 1.00 60.14 C ATOM 460 OD1 ASP A 123 19.327 -6.221 -17.028 1.00 24.31 O ATOM 461 OD2 ASP A 123 19.115 -4.243 -16.110 1.00 14.44 O ATOM 0 H ASP A 123 16.730 -7.182 -13.276 1.00 22.45 H new ATOM 0 HA ASP A 123 19.255 -7.604 -14.469 1.00 73.24 H new ATOM 0 HB2 ASP A 123 17.222 -6.716 -15.605 1.00 42.33 H new ATOM 0 HB3 ASP A 123 17.347 -5.242 -14.665 1.00 42.33 H new ATOM 466 N TYR A 124 19.174 -5.406 -12.109 1.00 52.45 N ATOM 467 CA TYR A 124 20.016 -4.570 -11.274 1.00 32.41 C ATOM 468 C TYR A 124 20.835 -5.420 -10.304 1.00 43.52 C ATOM 469 O TYR A 124 22.054 -5.306 -10.248 1.00 21.50 O ATOM 470 CB TYR A 124 19.166 -3.554 -10.504 1.00 23.22 C ATOM 471 CG TYR A 124 19.971 -2.666 -9.580 1.00 14.11 C ATOM 472 CD1 TYR A 124 19.909 -2.830 -8.204 1.00 63.40 C ATOM 473 CD2 TYR A 124 20.798 -1.670 -10.086 1.00 41.31 C ATOM 474 CE1 TYR A 124 20.645 -2.029 -7.356 1.00 11.40 C ATOM 475 CE2 TYR A 124 21.538 -0.864 -9.242 1.00 32.45 C ATOM 476 CZ TYR A 124 21.459 -1.047 -7.878 1.00 52.24 C ATOM 477 OH TYR A 124 22.197 -0.251 -7.033 1.00 3.52 O ATOM 0 H TYR A 124 18.246 -5.589 -11.728 1.00 52.45 H new ATOM 0 HA TYR A 124 20.706 -4.029 -11.921 1.00 32.41 H new ATOM 0 HB2 TYR A 124 18.628 -2.929 -11.217 1.00 23.22 H new ATOM 0 HB3 TYR A 124 18.417 -4.088 -9.919 1.00 23.22 H new ATOM 0 HD1 TYR A 124 19.273 -3.598 -7.789 1.00 63.40 H new ATOM 0 HD2 TYR A 124 20.863 -1.524 -11.154 1.00 41.31 H new ATOM 0 HE1 TYR A 124 20.584 -2.171 -6.287 1.00 11.40 H new ATOM 0 HE2 TYR A 124 22.176 -0.094 -9.649 1.00 32.45 H new ATOM 0 HH TYR A 124 22.854 -0.800 -6.557 1.00 3.52 H new ATOM 487 N PHE A 125 20.169 -6.299 -9.570 1.00 52.35 N ATOM 488 CA PHE A 125 20.825 -7.038 -8.494 1.00 21.52 C ATOM 489 C PHE A 125 21.745 -8.143 -9.022 1.00 74.34 C ATOM 490 O PHE A 125 22.584 -8.668 -8.283 1.00 51.14 O ATOM 491 CB PHE A 125 19.787 -7.614 -7.528 1.00 11.12 C ATOM 492 CG PHE A 125 19.013 -6.553 -6.794 1.00 22.20 C ATOM 493 CD1 PHE A 125 17.636 -6.459 -6.921 1.00 41.41 C ATOM 494 CD2 PHE A 125 19.670 -5.636 -5.990 1.00 61.21 C ATOM 495 CE1 PHE A 125 16.931 -5.471 -6.260 1.00 41.12 C ATOM 496 CE2 PHE A 125 18.970 -4.649 -5.323 1.00 52.20 C ATOM 497 CZ PHE A 125 17.599 -4.565 -5.459 1.00 41.44 C ATOM 0 H PHE A 125 19.181 -6.519 -9.696 1.00 52.35 H new ATOM 0 HA PHE A 125 21.455 -6.330 -7.956 1.00 21.52 H new ATOM 0 HB2 PHE A 125 19.092 -8.244 -8.084 1.00 11.12 H new ATOM 0 HB3 PHE A 125 20.289 -8.255 -6.804 1.00 11.12 H new ATOM 0 HD1 PHE A 125 17.108 -7.166 -7.544 1.00 41.41 H new ATOM 0 HD2 PHE A 125 20.743 -5.693 -5.883 1.00 61.21 H new ATOM 0 HE1 PHE A 125 15.858 -5.407 -6.370 1.00 41.12 H new ATOM 0 HE2 PHE A 125 19.495 -3.944 -4.696 1.00 52.20 H new ATOM 0 HZ PHE A 125 17.050 -3.793 -4.941 1.00 41.44 H new ATOM 507 N GLU A 126 21.603 -8.484 -10.299 1.00 3.24 N ATOM 508 CA GLU A 126 22.443 -9.509 -10.922 1.00 74.25 C ATOM 509 C GLU A 126 23.920 -9.120 -10.906 1.00 50.21 C ATOM 510 O GLU A 126 24.796 -9.980 -10.997 1.00 34.04 O ATOM 511 CB GLU A 126 21.977 -9.785 -12.356 1.00 35.24 C ATOM 512 CG GLU A 126 21.916 -8.551 -13.245 1.00 23.04 C ATOM 513 CD GLU A 126 23.093 -8.436 -14.188 1.00 1.04 C ATOM 514 OE1 GLU A 126 24.091 -7.777 -13.831 1.00 71.55 O ATOM 515 OE2 GLU A 126 23.021 -8.998 -15.300 1.00 31.41 O ATOM 0 H GLU A 126 20.915 -8.067 -10.926 1.00 3.24 H new ATOM 0 HA GLU A 126 22.338 -10.421 -10.334 1.00 74.25 H new ATOM 0 HB2 GLU A 126 22.650 -10.512 -12.810 1.00 35.24 H new ATOM 0 HB3 GLU A 126 20.988 -10.243 -12.322 1.00 35.24 H new ATOM 0 HG2 GLU A 126 20.994 -8.575 -13.826 1.00 23.04 H new ATOM 0 HG3 GLU A 126 21.874 -7.661 -12.617 1.00 23.04 H new ATOM 522 N GLN A 127 24.197 -7.826 -10.792 1.00 25.21 N ATOM 523 CA GLN A 127 25.578 -7.352 -10.736 1.00 71.24 C ATOM 524 C GLN A 127 26.194 -7.652 -9.370 1.00 0.21 C ATOM 525 O GLN A 127 27.415 -7.730 -9.232 1.00 11.34 O ATOM 526 CB GLN A 127 25.649 -5.850 -11.032 1.00 43.31 C ATOM 527 CG GLN A 127 25.104 -4.975 -9.916 1.00 60.14 C ATOM 528 CD GLN A 127 24.876 -3.544 -10.349 1.00 71.11 C ATOM 529 OE1 GLN A 127 25.756 -2.692 -10.238 1.00 35.51 O ATOM 530 NE2 GLN A 127 23.682 -3.274 -10.839 1.00 2.12 N ATOM 0 H GLN A 127 23.492 -7.091 -10.737 1.00 25.21 H new ATOM 0 HA GLN A 127 26.149 -7.881 -11.499 1.00 71.24 H new ATOM 0 HB2 GLN A 127 26.687 -5.576 -11.221 1.00 43.31 H new ATOM 0 HB3 GLN A 127 25.093 -5.643 -11.947 1.00 43.31 H new ATOM 0 HG2 GLN A 127 24.164 -5.395 -9.558 1.00 60.14 H new ATOM 0 HG3 GLN A 127 25.800 -4.989 -9.077 1.00 60.14 H new ATOM 0 HE21 GLN A 127 22.982 -4.012 -10.913 1.00 2.12 H new ATOM 0 HE22 GLN A 127 23.458 -2.327 -11.144 1.00 2.12 H new ATOM 539 N TYR A 128 25.344 -7.841 -8.364 1.00 10.15 N ATOM 540 CA TYR A 128 25.819 -8.137 -7.020 1.00 54.33 C ATOM 541 C TYR A 128 26.046 -9.629 -6.859 1.00 4.01 C ATOM 542 O TYR A 128 26.779 -10.061 -5.972 1.00 61.42 O ATOM 543 CB TYR A 128 24.838 -7.647 -5.953 1.00 1.11 C ATOM 544 CG TYR A 128 24.609 -6.154 -5.954 1.00 71.13 C ATOM 545 CD1 TYR A 128 25.320 -5.337 -5.093 1.00 62.13 C ATOM 546 CD2 TYR A 128 23.676 -5.566 -6.795 1.00 71.34 C ATOM 547 CE1 TYR A 128 25.114 -3.977 -5.063 1.00 73.44 C ATOM 548 CE2 TYR A 128 23.464 -4.200 -6.778 1.00 33.52 C ATOM 549 CZ TYR A 128 24.185 -3.410 -5.909 1.00 25.35 C ATOM 550 OH TYR A 128 23.972 -2.051 -5.884 1.00 20.50 O ATOM 0 H TYR A 128 24.329 -7.794 -8.455 1.00 10.15 H new ATOM 0 HA TYR A 128 26.762 -7.607 -6.882 1.00 54.33 H new ATOM 0 HB2 TYR A 128 23.881 -8.149 -6.098 1.00 1.11 H new ATOM 0 HB3 TYR A 128 25.208 -7.945 -4.972 1.00 1.11 H new ATOM 0 HD1 TYR A 128 26.052 -5.776 -4.431 1.00 62.13 H new ATOM 0 HD2 TYR A 128 23.107 -6.184 -7.473 1.00 71.34 H new ATOM 0 HE1 TYR A 128 25.677 -3.357 -4.381 1.00 73.44 H new ATOM 0 HE2 TYR A 128 22.738 -3.755 -7.442 1.00 33.52 H new ATOM 0 HH TYR A 128 24.799 -1.595 -5.623 1.00 20.50 H new ATOM 560 N GLY A 129 25.397 -10.421 -7.700 1.00 24.23 N ATOM 561 CA GLY A 129 25.650 -11.842 -7.688 1.00 31.11 C ATOM 562 C GLY A 129 24.581 -12.647 -8.389 1.00 44.51 C ATOM 563 O GLY A 129 23.730 -12.098 -9.090 1.00 33.10 O ATOM 0 H GLY A 129 24.707 -10.107 -8.383 1.00 24.23 H new ATOM 0 HA2 GLY A 129 26.611 -12.037 -8.163 1.00 31.11 H new ATOM 0 HA3 GLY A 129 25.731 -12.181 -6.655 1.00 31.11 H new ATOM 567 N LYS A 130 24.634 -13.957 -8.186 1.00 11.02 N ATOM 568 CA LYS A 130 23.708 -14.885 -8.803 1.00 50.43 C ATOM 569 C LYS A 130 22.347 -14.837 -8.120 1.00 11.22 C ATOM 570 O LYS A 130 22.206 -15.151 -6.933 1.00 71.04 O ATOM 571 CB LYS A 130 24.309 -16.300 -8.765 1.00 15.42 C ATOM 572 CG LYS A 130 23.298 -17.436 -8.833 1.00 24.14 C ATOM 573 CD LYS A 130 22.444 -17.377 -10.079 1.00 42.20 C ATOM 574 CE LYS A 130 21.418 -18.494 -10.094 1.00 11.40 C ATOM 575 NZ LYS A 130 20.532 -18.429 -11.288 1.00 62.02 N ATOM 0 H LYS A 130 25.326 -14.404 -7.585 1.00 11.02 H new ATOM 0 HA LYS A 130 23.550 -14.598 -9.843 1.00 50.43 H new ATOM 0 HB2 LYS A 130 25.005 -16.404 -9.597 1.00 15.42 H new ATOM 0 HB3 LYS A 130 24.890 -16.406 -7.849 1.00 15.42 H new ATOM 0 HG2 LYS A 130 23.825 -18.390 -8.803 1.00 24.14 H new ATOM 0 HG3 LYS A 130 22.655 -17.399 -7.954 1.00 24.14 H new ATOM 0 HD2 LYS A 130 21.937 -16.413 -10.130 1.00 42.20 H new ATOM 0 HD3 LYS A 130 23.079 -17.451 -10.962 1.00 42.20 H new ATOM 0 HE2 LYS A 130 21.931 -19.456 -10.076 1.00 11.40 H new ATOM 0 HE3 LYS A 130 20.811 -18.439 -9.190 1.00 11.40 H new ATOM 0 HZ1 LYS A 130 20.013 -19.325 -11.385 1.00 62.02 H new ATOM 0 HZ2 LYS A 130 19.855 -17.647 -11.176 1.00 62.02 H new ATOM 0 HZ3 LYS A 130 21.108 -18.269 -12.139 1.00 62.02 H new ATOM 589 N ILE A 131 21.351 -14.439 -8.888 1.00 62.53 N ATOM 590 CA ILE A 131 19.990 -14.365 -8.400 1.00 63.23 C ATOM 591 C ILE A 131 19.241 -15.649 -8.712 1.00 24.01 C ATOM 592 O ILE A 131 19.301 -16.158 -9.830 1.00 11.13 O ATOM 593 CB ILE A 131 19.236 -13.188 -9.037 1.00 2.45 C ATOM 594 CG1 ILE A 131 20.025 -11.894 -8.851 1.00 53.31 C ATOM 595 CG2 ILE A 131 17.843 -13.062 -8.440 1.00 63.43 C ATOM 596 CD1 ILE A 131 19.338 -10.686 -9.435 1.00 73.42 C ATOM 0 H ILE A 131 21.463 -14.159 -9.863 1.00 62.53 H new ATOM 0 HA ILE A 131 20.039 -14.218 -7.321 1.00 63.23 H new ATOM 0 HB ILE A 131 19.131 -13.377 -10.105 1.00 2.45 H new ATOM 0 HG12 ILE A 131 20.192 -11.729 -7.787 1.00 53.31 H new ATOM 0 HG13 ILE A 131 21.005 -12.005 -9.314 1.00 53.31 H new ATOM 0 HG21 ILE A 131 17.323 -12.223 -8.903 1.00 63.43 H new ATOM 0 HG22 ILE A 131 17.285 -13.980 -8.622 1.00 63.43 H new ATOM 0 HG23 ILE A 131 17.921 -12.892 -7.366 1.00 63.43 H new ATOM 0 HD11 ILE A 131 19.953 -9.802 -9.268 1.00 73.42 H new ATOM 0 HD12 ILE A 131 19.195 -10.831 -10.506 1.00 73.42 H new ATOM 0 HD13 ILE A 131 18.369 -10.551 -8.954 1.00 73.42 H new ATOM 608 N GLU A 132 18.537 -16.159 -7.724 1.00 22.33 N ATOM 609 CA GLU A 132 17.750 -17.363 -7.886 1.00 70.32 C ATOM 610 C GLU A 132 16.403 -17.046 -8.520 1.00 74.44 C ATOM 611 O GLU A 132 16.194 -17.292 -9.710 1.00 62.41 O ATOM 612 CB GLU A 132 17.565 -18.048 -6.534 1.00 31.23 C ATOM 613 CG GLU A 132 18.772 -18.860 -6.116 1.00 14.04 C ATOM 614 CD GLU A 132 18.888 -20.143 -6.906 1.00 13.11 C ATOM 615 OE1 GLU A 132 18.450 -21.199 -6.404 1.00 13.12 O ATOM 616 OE2 GLU A 132 19.401 -20.100 -8.041 1.00 1.21 O ATOM 0 H GLU A 132 18.494 -15.753 -6.789 1.00 22.33 H new ATOM 0 HA GLU A 132 18.281 -18.042 -8.553 1.00 70.32 H new ATOM 0 HB2 GLU A 132 17.360 -17.293 -5.775 1.00 31.23 H new ATOM 0 HB3 GLU A 132 16.692 -18.700 -6.579 1.00 31.23 H new ATOM 0 HG2 GLU A 132 19.675 -18.266 -6.254 1.00 14.04 H new ATOM 0 HG3 GLU A 132 18.703 -19.093 -5.053 1.00 14.04 H new ATOM 623 N VAL A 133 15.503 -16.472 -7.732 1.00 42.30 N ATOM 624 CA VAL A 133 14.163 -16.151 -8.201 1.00 0.24 C ATOM 625 C VAL A 133 13.778 -14.756 -7.742 1.00 22.13 C ATOM 626 O VAL A 133 14.313 -14.252 -6.755 1.00 23.22 O ATOM 627 CB VAL A 133 13.099 -17.130 -7.658 1.00 52.20 C ATOM 628 CG1 VAL A 133 11.866 -17.139 -8.545 1.00 13.34 C ATOM 629 CG2 VAL A 133 13.654 -18.540 -7.491 1.00 2.20 C ATOM 0 H VAL A 133 15.679 -16.218 -6.760 1.00 42.30 H new ATOM 0 HA VAL A 133 14.187 -16.223 -9.288 1.00 0.24 H new ATOM 0 HB VAL A 133 12.810 -16.774 -6.669 1.00 52.20 H new ATOM 0 HG11 VAL A 133 11.132 -17.836 -8.141 1.00 13.34 H new ATOM 0 HG12 VAL A 133 11.435 -16.138 -8.579 1.00 13.34 H new ATOM 0 HG13 VAL A 133 12.145 -17.449 -9.552 1.00 13.34 H new ATOM 0 HG21 VAL A 133 12.872 -19.196 -7.107 1.00 2.20 H new ATOM 0 HG22 VAL A 133 13.998 -18.912 -8.456 1.00 2.20 H new ATOM 0 HG23 VAL A 133 14.489 -18.522 -6.790 1.00 2.20 H new ATOM 639 N ILE A 134 12.865 -14.129 -8.455 1.00 21.44 N ATOM 640 CA ILE A 134 12.320 -12.857 -8.028 1.00 71.53 C ATOM 641 C ILE A 134 10.855 -13.028 -7.671 1.00 51.01 C ATOM 642 O ILE A 134 10.059 -13.485 -8.492 1.00 55.22 O ATOM 643 CB ILE A 134 12.445 -11.788 -9.123 1.00 74.13 C ATOM 644 CG1 ILE A 134 13.876 -11.718 -9.658 1.00 62.23 C ATOM 645 CG2 ILE A 134 12.017 -10.429 -8.583 1.00 43.13 C ATOM 646 CD1 ILE A 134 14.883 -11.256 -8.639 1.00 1.03 C ATOM 0 H ILE A 134 12.484 -14.480 -9.334 1.00 21.44 H new ATOM 0 HA ILE A 134 12.890 -12.526 -7.160 1.00 71.53 H new ATOM 0 HB ILE A 134 11.787 -12.065 -9.947 1.00 74.13 H new ATOM 0 HG12 ILE A 134 14.167 -12.704 -10.022 1.00 62.23 H new ATOM 0 HG13 ILE A 134 13.902 -11.042 -10.513 1.00 62.23 H new ATOM 0 HG21 ILE A 134 12.110 -9.679 -9.369 1.00 43.13 H new ATOM 0 HG22 ILE A 134 10.980 -10.480 -8.251 1.00 43.13 H new ATOM 0 HG23 ILE A 134 12.654 -10.154 -7.742 1.00 43.13 H new ATOM 0 HD11 ILE A 134 15.874 -11.232 -9.092 1.00 1.03 H new ATOM 0 HD12 ILE A 134 14.618 -10.257 -8.293 1.00 1.03 H new ATOM 0 HD13 ILE A 134 14.887 -11.944 -7.794 1.00 1.03 H new ATOM 658 N GLU A 135 10.496 -12.676 -6.453 1.00 72.10 N ATOM 659 CA GLU A 135 9.125 -12.810 -6.009 1.00 62.22 C ATOM 660 C GLU A 135 8.445 -11.454 -5.955 1.00 44.22 C ATOM 661 O GLU A 135 8.593 -10.709 -4.988 1.00 12.02 O ATOM 662 CB GLU A 135 9.051 -13.480 -4.640 1.00 53.33 C ATOM 663 CG GLU A 135 9.610 -14.889 -4.622 1.00 11.35 C ATOM 664 CD GLU A 135 9.338 -15.595 -3.315 1.00 55.50 C ATOM 665 OE1 GLU A 135 10.055 -15.338 -2.333 1.00 22.14 O ATOM 666 OE2 GLU A 135 8.403 -16.422 -3.265 1.00 5.43 O ATOM 0 H GLU A 135 11.134 -12.296 -5.754 1.00 72.10 H new ATOM 0 HA GLU A 135 8.605 -13.440 -6.731 1.00 62.22 H new ATOM 0 HB2 GLU A 135 9.596 -12.873 -3.918 1.00 53.33 H new ATOM 0 HB3 GLU A 135 8.011 -13.507 -4.314 1.00 53.33 H new ATOM 0 HG2 GLU A 135 9.173 -15.462 -5.440 1.00 11.35 H new ATOM 0 HG3 GLU A 135 10.685 -14.854 -4.797 1.00 11.35 H new ATOM 673 N ILE A 136 7.728 -11.121 -7.014 1.00 10.25 N ATOM 674 CA ILE A 136 6.922 -9.918 -7.027 1.00 55.51 C ATOM 675 C ILE A 136 5.634 -10.209 -6.288 1.00 61.22 C ATOM 676 O ILE A 136 4.904 -11.125 -6.669 1.00 73.03 O ATOM 677 CB ILE A 136 6.564 -9.469 -8.458 1.00 21.43 C ATOM 678 CG1 ILE A 136 7.753 -9.640 -9.402 1.00 30.22 C ATOM 679 CG2 ILE A 136 6.104 -8.017 -8.445 1.00 70.12 C ATOM 680 CD1 ILE A 136 7.384 -9.472 -10.859 1.00 31.40 C ATOM 0 H ILE A 136 7.689 -11.668 -7.874 1.00 10.25 H new ATOM 0 HA ILE A 136 7.497 -9.120 -6.557 1.00 55.51 H new ATOM 0 HB ILE A 136 5.753 -10.099 -8.823 1.00 21.43 H new ATOM 0 HG12 ILE A 136 8.523 -8.913 -9.142 1.00 30.22 H new ATOM 0 HG13 ILE A 136 8.186 -10.629 -9.255 1.00 30.22 H new ATOM 0 HG21 ILE A 136 5.853 -7.706 -9.459 1.00 70.12 H new ATOM 0 HG22 ILE A 136 5.226 -7.919 -7.807 1.00 70.12 H new ATOM 0 HG23 ILE A 136 6.904 -7.385 -8.060 1.00 70.12 H new ATOM 0 HD11 ILE A 136 8.272 -9.605 -11.477 1.00 31.40 H new ATOM 0 HD12 ILE A 136 6.636 -10.216 -11.133 1.00 31.40 H new ATOM 0 HD13 ILE A 136 6.978 -8.473 -11.019 1.00 31.40 H new ATOM 692 N MET A 137 5.357 -9.475 -5.224 1.00 71.22 N ATOM 693 CA MET A 137 4.138 -9.717 -4.475 1.00 10.53 C ATOM 694 C MET A 137 2.949 -9.194 -5.243 1.00 43.34 C ATOM 695 O MET A 137 2.623 -8.008 -5.196 1.00 12.52 O ATOM 696 CB MET A 137 4.187 -9.112 -3.078 1.00 44.41 C ATOM 697 CG MET A 137 5.315 -9.665 -2.235 1.00 60.13 C ATOM 698 SD MET A 137 5.491 -11.459 -2.374 1.00 34.02 S ATOM 699 CE MET A 137 3.926 -12.024 -1.709 1.00 73.53 C ATOM 0 H MET A 137 5.945 -8.723 -4.866 1.00 71.22 H new ATOM 0 HA MET A 137 4.038 -10.795 -4.347 1.00 10.53 H new ATOM 0 HB2 MET A 137 4.298 -8.031 -3.160 1.00 44.41 H new ATOM 0 HB3 MET A 137 3.239 -9.298 -2.574 1.00 44.41 H new ATOM 0 HG2 MET A 137 6.250 -9.190 -2.533 1.00 60.13 H new ATOM 0 HG3 MET A 137 5.143 -9.403 -1.191 1.00 60.13 H new ATOM 0 HE1 MET A 137 3.907 -13.114 -1.699 1.00 73.53 H new ATOM 0 HE2 MET A 137 3.806 -11.650 -0.692 1.00 73.53 H new ATOM 0 HE3 MET A 137 3.111 -11.653 -2.331 1.00 73.53 H new ATOM 859 N PHE A 148 5.441 -4.255 -2.748 1.00 22.40 N ATOM 860 CA PHE A 148 6.780 -4.726 -2.394 1.00 63.54 C ATOM 861 C PHE A 148 7.112 -6.058 -3.069 1.00 73.23 C ATOM 862 O PHE A 148 6.218 -6.815 -3.459 1.00 24.21 O ATOM 863 CB PHE A 148 6.894 -4.870 -0.869 1.00 60.33 C ATOM 864 CG PHE A 148 5.958 -5.894 -0.282 1.00 4.03 C ATOM 865 CD1 PHE A 148 6.431 -7.130 0.125 1.00 54.53 C ATOM 866 CD2 PHE A 148 4.605 -5.623 -0.147 1.00 2.51 C ATOM 867 CE1 PHE A 148 5.573 -8.076 0.652 1.00 20.43 C ATOM 868 CE2 PHE A 148 3.744 -6.566 0.380 1.00 32.31 C ATOM 869 CZ PHE A 148 4.230 -7.794 0.777 1.00 54.13 C ATOM 0 HA PHE A 148 7.498 -3.987 -2.750 1.00 63.54 H new ATOM 0 HB2 PHE A 148 7.919 -5.141 -0.615 1.00 60.33 H new ATOM 0 HB3 PHE A 148 6.696 -3.903 -0.407 1.00 60.33 H new ATOM 0 HD1 PHE A 148 7.483 -7.357 0.029 1.00 54.53 H new ATOM 0 HD2 PHE A 148 4.220 -4.663 -0.458 1.00 2.51 H new ATOM 0 HE1 PHE A 148 5.955 -9.036 0.966 1.00 20.43 H new ATOM 0 HE2 PHE A 148 2.692 -6.342 0.481 1.00 32.31 H new ATOM 0 HZ PHE A 148 3.558 -8.534 1.186 1.00 54.13 H new ATOM 879 N ALA A 149 8.400 -6.342 -3.200 1.00 33.13 N ATOM 880 CA ALA A 149 8.850 -7.573 -3.831 1.00 60.42 C ATOM 881 C ALA A 149 10.097 -8.113 -3.143 1.00 44.14 C ATOM 882 O ALA A 149 10.751 -7.407 -2.371 1.00 14.52 O ATOM 883 CB ALA A 149 9.123 -7.341 -5.310 1.00 52.14 C ATOM 0 H ALA A 149 9.153 -5.735 -2.877 1.00 33.13 H new ATOM 0 HA ALA A 149 8.057 -8.314 -3.732 1.00 60.42 H new ATOM 0 HB1 ALA A 149 9.459 -8.271 -5.768 1.00 52.14 H new ATOM 0 HB2 ALA A 149 8.210 -7.004 -5.800 1.00 52.14 H new ATOM 0 HB3 ALA A 149 9.896 -6.581 -5.422 1.00 52.14 H new ATOM 889 N PHE A 150 10.424 -9.364 -3.428 1.00 22.53 N ATOM 890 CA PHE A 150 11.581 -10.009 -2.832 1.00 2.23 C ATOM 891 C PHE A 150 12.513 -10.524 -3.914 1.00 53.40 C ATOM 892 O PHE A 150 12.067 -11.006 -4.955 1.00 1.04 O ATOM 893 CB PHE A 150 11.151 -11.170 -1.938 1.00 12.54 C ATOM 894 CG PHE A 150 10.154 -10.781 -0.891 1.00 50.21 C ATOM 895 CD1 PHE A 150 8.813 -11.069 -1.062 1.00 33.41 C ATOM 896 CD2 PHE A 150 10.555 -10.119 0.256 1.00 4.05 C ATOM 897 CE1 PHE A 150 7.888 -10.703 -0.111 1.00 51.30 C ATOM 898 CE2 PHE A 150 9.632 -9.752 1.215 1.00 4.31 C ATOM 899 CZ PHE A 150 8.297 -10.045 1.030 1.00 71.14 C ATOM 0 H PHE A 150 9.900 -9.955 -4.073 1.00 22.53 H new ATOM 0 HA PHE A 150 12.104 -9.270 -2.226 1.00 2.23 H new ATOM 0 HB2 PHE A 150 10.725 -11.958 -2.559 1.00 12.54 H new ATOM 0 HB3 PHE A 150 12.032 -11.589 -1.452 1.00 12.54 H new ATOM 0 HD1 PHE A 150 8.487 -11.587 -1.952 1.00 33.41 H new ATOM 0 HD2 PHE A 150 11.600 -9.887 0.402 1.00 4.05 H new ATOM 0 HE1 PHE A 150 6.843 -10.931 -0.258 1.00 51.30 H new ATOM 0 HE2 PHE A 150 9.955 -9.237 2.108 1.00 4.31 H new ATOM 0 HZ PHE A 150 7.572 -9.759 1.778 1.00 71.14 H new ATOM 909 N VAL A 151 13.803 -10.414 -3.667 1.00 40.42 N ATOM 910 CA VAL A 151 14.799 -10.911 -4.599 1.00 52.44 C ATOM 911 C VAL A 151 15.601 -12.031 -3.948 1.00 24.23 C ATOM 912 O VAL A 151 16.387 -11.788 -3.031 1.00 54.20 O ATOM 913 CB VAL A 151 15.748 -9.785 -5.063 1.00 3.21 C ATOM 914 CG1 VAL A 151 16.757 -10.303 -6.076 1.00 70.03 C ATOM 915 CG2 VAL A 151 14.954 -8.626 -5.646 1.00 1.14 C ATOM 0 H VAL A 151 14.188 -9.984 -2.826 1.00 40.42 H new ATOM 0 HA VAL A 151 14.279 -11.295 -5.477 1.00 52.44 H new ATOM 0 HB VAL A 151 16.298 -9.427 -4.193 1.00 3.21 H new ATOM 0 HG11 VAL A 151 17.412 -9.489 -6.386 1.00 70.03 H new ATOM 0 HG12 VAL A 151 17.352 -11.096 -5.624 1.00 70.03 H new ATOM 0 HG13 VAL A 151 16.230 -10.696 -6.946 1.00 70.03 H new ATOM 0 HG21 VAL A 151 15.639 -7.841 -5.968 1.00 1.14 H new ATOM 0 HG22 VAL A 151 14.375 -8.975 -6.501 1.00 1.14 H new ATOM 0 HG23 VAL A 151 14.279 -8.230 -4.888 1.00 1.14 H new ATOM 925 N THR A 152 15.371 -13.253 -4.402 1.00 34.23 N ATOM 926 CA THR A 152 16.046 -14.419 -3.856 1.00 12.32 C ATOM 927 C THR A 152 17.383 -14.635 -4.552 1.00 74.03 C ATOM 928 O THR A 152 17.444 -14.693 -5.777 1.00 14.13 O ATOM 929 CB THR A 152 15.186 -15.685 -4.032 1.00 1.05 C ATOM 930 OG1 THR A 152 13.833 -15.419 -3.643 1.00 21.32 O ATOM 931 CG2 THR A 152 15.739 -16.833 -3.201 1.00 44.05 C ATOM 0 H THR A 152 14.715 -13.464 -5.155 1.00 34.23 H new ATOM 0 HA THR A 152 16.208 -14.238 -2.793 1.00 12.32 H new ATOM 0 HB THR A 152 15.212 -15.970 -5.084 1.00 1.05 H new ATOM 0 HG1 THR A 152 13.528 -16.115 -3.024 1.00 21.32 H new ATOM 0 HG21 THR A 152 15.116 -17.716 -3.341 1.00 44.05 H new ATOM 0 HG22 THR A 152 16.758 -17.054 -3.518 1.00 44.05 H new ATOM 0 HG23 THR A 152 15.740 -16.552 -2.148 1.00 44.05 H new ATOM 939 N PHE A 153 18.445 -14.757 -3.776 1.00 31.23 N ATOM 940 CA PHE A 153 19.771 -14.973 -4.329 1.00 33.10 C ATOM 941 C PHE A 153 20.257 -16.380 -4.017 1.00 40.53 C ATOM 942 O PHE A 153 19.838 -16.991 -3.033 1.00 63.23 O ATOM 943 CB PHE A 153 20.764 -13.950 -3.773 1.00 41.34 C ATOM 944 CG PHE A 153 20.460 -12.534 -4.164 1.00 13.24 C ATOM 945 CD1 PHE A 153 21.030 -11.976 -5.296 1.00 51.01 C ATOM 946 CD2 PHE A 153 19.609 -11.759 -3.396 1.00 15.25 C ATOM 947 CE1 PHE A 153 20.755 -10.671 -5.652 1.00 33.42 C ATOM 948 CE2 PHE A 153 19.332 -10.458 -3.747 1.00 74.42 C ATOM 949 CZ PHE A 153 19.904 -9.913 -4.876 1.00 32.53 C ATOM 0 H PHE A 153 18.415 -14.710 -2.758 1.00 31.23 H new ATOM 0 HA PHE A 153 19.707 -14.850 -5.410 1.00 33.10 H new ATOM 0 HB2 PHE A 153 20.774 -14.022 -2.685 1.00 41.34 H new ATOM 0 HB3 PHE A 153 21.766 -14.205 -4.119 1.00 41.34 H new ATOM 0 HD1 PHE A 153 21.696 -12.568 -5.906 1.00 51.01 H new ATOM 0 HD2 PHE A 153 19.157 -12.181 -2.510 1.00 15.25 H new ATOM 0 HE1 PHE A 153 21.205 -10.245 -6.536 1.00 33.42 H new ATOM 0 HE2 PHE A 153 18.667 -9.864 -3.138 1.00 74.42 H new ATOM 0 HZ PHE A 153 19.686 -8.892 -5.153 1.00 32.53 H new ATOM 959 N ASP A 154 21.136 -16.890 -4.866 1.00 54.34 N ATOM 960 CA ASP A 154 21.724 -18.213 -4.667 1.00 24.05 C ATOM 961 C ASP A 154 22.801 -18.165 -3.588 1.00 71.22 C ATOM 962 O ASP A 154 23.209 -19.192 -3.045 1.00 22.31 O ATOM 963 CB ASP A 154 22.319 -18.729 -5.986 1.00 53.34 C ATOM 964 CG ASP A 154 22.970 -20.093 -5.845 1.00 24.42 C ATOM 965 OD1 ASP A 154 22.260 -21.113 -5.967 1.00 13.22 O ATOM 966 OD2 ASP A 154 24.196 -20.151 -5.620 1.00 1.44 O ATOM 0 H ASP A 154 21.461 -16.408 -5.704 1.00 54.34 H new ATOM 0 HA ASP A 154 20.939 -18.895 -4.341 1.00 24.05 H new ATOM 0 HB2 ASP A 154 21.531 -18.784 -6.738 1.00 53.34 H new ATOM 0 HB3 ASP A 154 23.058 -18.015 -6.350 1.00 53.34 H new ATOM 971 N ASP A 155 23.234 -16.961 -3.261 1.00 14.21 N ATOM 972 CA ASP A 155 24.338 -16.769 -2.327 1.00 11.40 C ATOM 973 C ASP A 155 24.018 -15.654 -1.341 1.00 40.13 C ATOM 974 O ASP A 155 23.449 -14.626 -1.716 1.00 41.04 O ATOM 975 CB ASP A 155 25.618 -16.427 -3.100 1.00 61.35 C ATOM 976 CG ASP A 155 26.889 -16.716 -2.325 1.00 52.31 C ATOM 977 OD1 ASP A 155 27.841 -17.260 -2.923 1.00 72.34 O ATOM 978 OD2 ASP A 155 26.945 -16.419 -1.115 1.00 61.31 O ATOM 0 H ASP A 155 22.839 -16.095 -3.628 1.00 14.21 H new ATOM 0 HA ASP A 155 24.487 -17.694 -1.770 1.00 11.40 H new ATOM 0 HB2 ASP A 155 25.633 -16.994 -4.031 1.00 61.35 H new ATOM 0 HB3 ASP A 155 25.599 -15.371 -3.370 1.00 61.35 H new ATOM 983 N HIS A 156 24.387 -15.858 -0.083 1.00 44.13 N ATOM 984 CA HIS A 156 24.175 -14.851 0.949 1.00 4.31 C ATOM 985 C HIS A 156 25.306 -13.824 0.953 1.00 60.34 C ATOM 986 O HIS A 156 25.316 -12.896 1.761 1.00 35.20 O ATOM 987 CB HIS A 156 24.023 -15.493 2.337 1.00 61.45 C ATOM 988 CG HIS A 156 25.158 -16.381 2.758 1.00 44.21 C ATOM 989 ND1 HIS A 156 24.939 -17.686 3.125 1.00 70.51 N ATOM 990 CD2 HIS A 156 26.476 -16.101 2.897 1.00 62.04 C ATOM 991 CE1 HIS A 156 26.116 -18.168 3.483 1.00 53.44 C ATOM 992 NE2 HIS A 156 27.076 -17.243 3.361 1.00 12.34 N ATOM 0 H HIS A 156 24.835 -16.713 0.248 1.00 44.13 H new ATOM 0 HA HIS A 156 23.244 -14.335 0.715 1.00 4.31 H new ATOM 0 HB2 HIS A 156 23.910 -14.700 3.076 1.00 61.45 H new ATOM 0 HB3 HIS A 156 23.102 -16.076 2.351 1.00 61.45 H new ATOM 0 HD2 HIS A 156 26.961 -15.160 2.683 1.00 62.04 H new ATOM 0 HE1 HIS A 156 26.282 -19.177 3.829 1.00 53.44 H new ATOM 0 HE2 HIS A 156 28.066 -17.365 3.573 1.00 12.34 H new ATOM 1000 N ASP A 157 26.268 -14.000 0.062 1.00 73.32 N ATOM 1001 CA ASP A 157 27.317 -13.004 -0.119 1.00 74.11 C ATOM 1002 C ASP A 157 26.796 -11.871 -0.991 1.00 64.23 C ATOM 1003 O ASP A 157 27.037 -10.694 -0.725 1.00 50.20 O ATOM 1004 CB ASP A 157 28.559 -13.632 -0.755 1.00 44.11 C ATOM 1005 CG ASP A 157 29.626 -12.607 -1.087 1.00 13.25 C ATOM 1006 OD1 ASP A 157 29.751 -12.241 -2.272 1.00 61.04 O ATOM 1007 OD2 ASP A 157 30.343 -12.165 -0.165 1.00 61.41 O ATOM 0 H ASP A 157 26.346 -14.816 -0.544 1.00 73.32 H new ATOM 0 HA ASP A 157 27.600 -12.610 0.857 1.00 74.11 H new ATOM 0 HB2 ASP A 157 28.974 -14.376 -0.075 1.00 44.11 H new ATOM 0 HB3 ASP A 157 28.270 -14.158 -1.665 1.00 44.11 H new ATOM 1012 N SER A 158 26.051 -12.250 -2.021 1.00 23.50 N ATOM 1013 CA SER A 158 25.480 -11.309 -2.971 1.00 43.53 C ATOM 1014 C SER A 158 24.522 -10.334 -2.288 1.00 51.22 C ATOM 1015 O SER A 158 24.430 -9.167 -2.671 1.00 45.00 O ATOM 1016 CB SER A 158 24.744 -12.092 -4.055 1.00 42.32 C ATOM 1017 OG SER A 158 25.445 -13.288 -4.355 1.00 52.05 O ATOM 0 H SER A 158 25.826 -13.225 -2.221 1.00 23.50 H new ATOM 0 HA SER A 158 26.286 -10.721 -3.410 1.00 43.53 H new ATOM 0 HB2 SER A 158 23.734 -12.328 -3.721 1.00 42.32 H new ATOM 0 HB3 SER A 158 24.649 -11.482 -4.953 1.00 42.32 H new ATOM 0 HG SER A 158 24.964 -13.784 -5.050 1.00 52.05 H new ATOM 1023 N VAL A 159 23.825 -10.814 -1.263 1.00 34.13 N ATOM 1024 CA VAL A 159 22.833 -10.002 -0.569 1.00 21.12 C ATOM 1025 C VAL A 159 23.495 -8.933 0.296 1.00 3.40 C ATOM 1026 O VAL A 159 22.921 -7.869 0.521 1.00 50.02 O ATOM 1027 CB VAL A 159 21.909 -10.861 0.322 1.00 2.52 C ATOM 1028 CG1 VAL A 159 21.269 -11.981 -0.480 1.00 4.24 C ATOM 1029 CG2 VAL A 159 22.667 -11.421 1.513 1.00 0.44 C ATOM 0 H VAL A 159 23.929 -11.760 -0.895 1.00 34.13 H new ATOM 0 HA VAL A 159 22.234 -9.523 -1.344 1.00 21.12 H new ATOM 0 HB VAL A 159 21.115 -10.215 0.698 1.00 2.52 H new ATOM 0 HG11 VAL A 159 20.623 -12.571 0.170 1.00 4.24 H new ATOM 0 HG12 VAL A 159 20.677 -11.556 -1.290 1.00 4.24 H new ATOM 0 HG13 VAL A 159 22.047 -12.621 -0.896 1.00 4.24 H new ATOM 0 HG21 VAL A 159 21.993 -12.022 2.124 1.00 0.44 H new ATOM 0 HG22 VAL A 159 23.489 -12.044 1.161 1.00 0.44 H new ATOM 0 HG23 VAL A 159 23.063 -10.600 2.111 1.00 0.44 H new ATOM 1039 N ASP A 160 24.710 -9.210 0.759 1.00 61.21 N ATOM 1040 CA ASP A 160 25.383 -8.327 1.704 1.00 30.30 C ATOM 1041 C ASP A 160 25.694 -6.984 1.067 1.00 32.20 C ATOM 1042 O ASP A 160 25.477 -5.942 1.674 1.00 31.40 O ATOM 1043 CB ASP A 160 26.660 -8.971 2.240 1.00 12.50 C ATOM 1044 CG ASP A 160 27.326 -8.122 3.306 1.00 3.02 C ATOM 1045 OD1 ASP A 160 28.418 -7.579 3.044 1.00 24.02 O ATOM 1046 OD2 ASP A 160 26.763 -7.998 4.416 1.00 40.24 O ATOM 0 H ASP A 160 25.247 -10.036 0.496 1.00 61.21 H new ATOM 0 HA ASP A 160 24.706 -8.160 2.542 1.00 30.30 H new ATOM 0 HB2 ASP A 160 26.424 -9.952 2.654 1.00 12.50 H new ATOM 0 HB3 ASP A 160 27.357 -9.131 1.417 1.00 12.50 H new ATOM 1051 N LYS A 161 26.155 -7.017 -0.179 1.00 71.52 N ATOM 1052 CA LYS A 161 26.468 -5.796 -0.928 1.00 70.45 C ATOM 1053 C LYS A 161 25.238 -4.905 -1.049 1.00 33.53 C ATOM 1054 O LYS A 161 25.344 -3.697 -1.266 1.00 52.02 O ATOM 1055 CB LYS A 161 26.960 -6.148 -2.331 1.00 5.31 C ATOM 1056 CG LYS A 161 28.077 -7.173 -2.353 1.00 20.12 C ATOM 1057 CD LYS A 161 27.701 -8.409 -3.150 1.00 2.44 C ATOM 1058 CE LYS A 161 28.798 -9.458 -3.070 1.00 53.23 C ATOM 1059 NZ LYS A 161 28.590 -10.580 -4.020 1.00 1.54 N ATOM 0 H LYS A 161 26.322 -7.879 -0.698 1.00 71.52 H new ATOM 0 HA LYS A 161 27.248 -5.262 -0.385 1.00 70.45 H new ATOM 0 HB2 LYS A 161 26.121 -6.527 -2.915 1.00 5.31 H new ATOM 0 HB3 LYS A 161 27.305 -5.239 -2.823 1.00 5.31 H new ATOM 0 HG2 LYS A 161 28.973 -6.724 -2.782 1.00 20.12 H new ATOM 0 HG3 LYS A 161 28.324 -7.462 -1.331 1.00 20.12 H new ATOM 0 HD2 LYS A 161 26.768 -8.823 -2.769 1.00 2.44 H new ATOM 0 HD3 LYS A 161 27.527 -8.137 -4.191 1.00 2.44 H new ATOM 0 HE2 LYS A 161 29.760 -8.988 -3.275 1.00 53.23 H new ATOM 0 HE3 LYS A 161 28.845 -9.851 -2.055 1.00 53.23 H new ATOM 0 HZ1 LYS A 161 28.578 -11.479 -3.498 1.00 1.54 H new ATOM 0 HZ2 LYS A 161 27.683 -10.454 -4.513 1.00 1.54 H new ATOM 0 HZ3 LYS A 161 29.363 -10.594 -4.716 1.00 1.54 H new ATOM 1073 N ILE A 162 24.079 -5.519 -0.911 1.00 12.13 N ATOM 1074 CA ILE A 162 22.814 -4.831 -1.055 1.00 22.11 C ATOM 1075 C ILE A 162 22.309 -4.331 0.294 1.00 40.34 C ATOM 1076 O ILE A 162 21.959 -3.160 0.440 1.00 4.24 O ATOM 1077 CB ILE A 162 21.777 -5.779 -1.683 1.00 33.24 C ATOM 1078 CG1 ILE A 162 22.278 -6.256 -3.045 1.00 44.54 C ATOM 1079 CG2 ILE A 162 20.421 -5.104 -1.813 1.00 14.41 C ATOM 1080 CD1 ILE A 162 21.458 -7.377 -3.631 1.00 51.50 C ATOM 0 H ILE A 162 23.990 -6.512 -0.695 1.00 12.13 H new ATOM 0 HA ILE A 162 22.962 -3.969 -1.706 1.00 22.11 H new ATOM 0 HB ILE A 162 21.650 -6.641 -1.027 1.00 33.24 H new ATOM 0 HG12 ILE A 162 22.276 -5.415 -3.738 1.00 44.54 H new ATOM 0 HG13 ILE A 162 23.312 -6.586 -2.947 1.00 44.54 H new ATOM 0 HG21 ILE A 162 19.710 -5.799 -2.260 1.00 14.41 H new ATOM 0 HG22 ILE A 162 20.066 -4.807 -0.826 1.00 14.41 H new ATOM 0 HG23 ILE A 162 20.513 -4.222 -2.446 1.00 14.41 H new ATOM 0 HD11 ILE A 162 21.872 -7.664 -4.598 1.00 51.50 H new ATOM 0 HD12 ILE A 162 21.480 -8.234 -2.958 1.00 51.50 H new ATOM 0 HD13 ILE A 162 20.428 -7.045 -3.762 1.00 51.50 H new ATOM 1092 N VAL A 163 22.304 -5.217 1.282 1.00 54.44 N ATOM 1093 CA VAL A 163 21.732 -4.912 2.591 1.00 2.42 C ATOM 1094 C VAL A 163 22.653 -4.046 3.457 1.00 31.32 C ATOM 1095 O VAL A 163 22.254 -3.607 4.538 1.00 61.53 O ATOM 1096 CB VAL A 163 21.367 -6.201 3.359 1.00 30.53 C ATOM 1097 CG1 VAL A 163 20.364 -7.028 2.567 1.00 54.31 C ATOM 1098 CG2 VAL A 163 22.610 -7.019 3.670 1.00 63.13 C ATOM 0 H VAL A 163 22.691 -6.157 1.203 1.00 54.44 H new ATOM 0 HA VAL A 163 20.826 -4.339 2.392 1.00 2.42 H new ATOM 0 HB VAL A 163 20.907 -5.914 4.305 1.00 30.53 H new ATOM 0 HG11 VAL A 163 20.118 -7.933 3.123 1.00 54.31 H new ATOM 0 HG12 VAL A 163 19.458 -6.444 2.405 1.00 54.31 H new ATOM 0 HG13 VAL A 163 20.797 -7.300 1.604 1.00 54.31 H new ATOM 0 HG21 VAL A 163 22.326 -7.921 4.211 1.00 63.13 H new ATOM 0 HG22 VAL A 163 23.106 -7.295 2.740 1.00 63.13 H new ATOM 0 HG23 VAL A 163 23.291 -6.428 4.283 1.00 63.13 H new ATOM 1108 N ILE A 164 23.887 -3.812 3.009 1.00 62.23 N ATOM 1109 CA ILE A 164 24.781 -2.897 3.722 1.00 33.45 C ATOM 1110 C ILE A 164 24.339 -1.453 3.522 1.00 3.00 C ATOM 1111 O ILE A 164 24.563 -0.598 4.378 1.00 1.42 O ATOM 1112 CB ILE A 164 26.267 -3.061 3.316 1.00 73.44 C ATOM 1113 CG1 ILE A 164 26.443 -3.073 1.791 1.00 74.12 C ATOM 1114 CG2 ILE A 164 26.843 -4.323 3.932 1.00 62.31 C ATOM 1115 CD1 ILE A 164 26.676 -1.709 1.178 1.00 75.43 C ATOM 0 H ILE A 164 24.286 -4.235 2.171 1.00 62.23 H new ATOM 0 HA ILE A 164 24.711 -3.158 4.778 1.00 33.45 H new ATOM 0 HB ILE A 164 26.814 -2.199 3.699 1.00 73.44 H new ATOM 0 HG12 ILE A 164 27.284 -3.719 1.540 1.00 74.12 H new ATOM 0 HG13 ILE A 164 25.555 -3.514 1.338 1.00 74.12 H new ATOM 0 HG21 ILE A 164 27.888 -4.427 3.639 1.00 62.31 H new ATOM 0 HG22 ILE A 164 26.775 -4.261 5.018 1.00 62.31 H new ATOM 0 HG23 ILE A 164 26.280 -5.188 3.582 1.00 62.31 H new ATOM 0 HD11 ILE A 164 26.790 -1.810 0.099 1.00 75.43 H new ATOM 0 HD12 ILE A 164 25.825 -1.063 1.395 1.00 75.43 H new ATOM 0 HD13 ILE A 164 27.581 -1.271 1.599 1.00 75.43 H new ATOM 1127 N GLN A 165 23.712 -1.190 2.388 1.00 40.23 N ATOM 1128 CA GLN A 165 23.097 0.102 2.136 1.00 15.14 C ATOM 1129 C GLN A 165 21.583 -0.046 2.190 1.00 22.54 C ATOM 1130 O GLN A 165 21.083 -1.096 2.590 1.00 53.14 O ATOM 1131 CB GLN A 165 23.554 0.683 0.792 1.00 23.25 C ATOM 1132 CG GLN A 165 23.479 -0.293 -0.365 1.00 72.04 C ATOM 1133 CD GLN A 165 23.850 0.348 -1.687 1.00 1.33 C ATOM 1134 OE1 GLN A 165 25.018 0.382 -2.069 1.00 54.31 O ATOM 1135 NE2 GLN A 165 22.857 0.859 -2.395 1.00 31.23 N ATOM 0 H GLN A 165 23.615 -1.858 1.623 1.00 40.23 H new ATOM 0 HA GLN A 165 23.413 0.804 2.907 1.00 15.14 H new ATOM 0 HB2 GLN A 165 22.941 1.554 0.558 1.00 23.25 H new ATOM 0 HB3 GLN A 165 24.581 1.033 0.891 1.00 23.25 H new ATOM 0 HG2 GLN A 165 24.146 -1.133 -0.172 1.00 72.04 H new ATOM 0 HG3 GLN A 165 22.469 -0.697 -0.431 1.00 72.04 H new ATOM 0 HE21 GLN A 165 21.901 0.810 -2.042 1.00 31.23 H new ATOM 0 HE22 GLN A 165 23.047 1.302 -3.294 1.00 31.23 H new ATOM 1144 N LYS A 166 20.854 0.987 1.809 1.00 61.12 N ATOM 1145 CA LYS A 166 19.406 0.963 1.936 1.00 50.30 C ATOM 1146 C LYS A 166 18.724 1.375 0.638 1.00 25.42 C ATOM 1147 O LYS A 166 17.982 0.597 0.044 1.00 42.34 O ATOM 1148 CB LYS A 166 18.981 1.882 3.082 1.00 23.13 C ATOM 1149 CG LYS A 166 17.501 1.823 3.410 1.00 32.33 C ATOM 1150 CD LYS A 166 17.185 2.673 4.626 1.00 14.00 C ATOM 1151 CE LYS A 166 15.731 2.546 5.034 1.00 51.10 C ATOM 1152 NZ LYS A 166 15.388 3.439 6.172 1.00 63.33 N ATOM 0 H LYS A 166 21.235 1.846 1.413 1.00 61.12 H new ATOM 0 HA LYS A 166 19.095 -0.059 2.155 1.00 50.30 H new ATOM 0 HB2 LYS A 166 19.550 1.619 3.974 1.00 23.13 H new ATOM 0 HB3 LYS A 166 19.245 2.908 2.827 1.00 23.13 H new ATOM 0 HG2 LYS A 166 16.920 2.172 2.556 1.00 32.33 H new ATOM 0 HG3 LYS A 166 17.206 0.790 3.596 1.00 32.33 H new ATOM 0 HD2 LYS A 166 17.824 2.373 5.456 1.00 14.00 H new ATOM 0 HD3 LYS A 166 17.413 3.717 4.410 1.00 14.00 H new ATOM 0 HE2 LYS A 166 15.094 2.784 4.182 1.00 51.10 H new ATOM 0 HE3 LYS A 166 15.521 1.512 5.309 1.00 51.10 H new ATOM 0 HZ1 LYS A 166 14.384 3.319 6.417 1.00 63.33 H new ATOM 0 HZ2 LYS A 166 15.977 3.196 6.994 1.00 63.33 H new ATOM 0 HZ3 LYS A 166 15.563 4.428 5.902 1.00 63.33 H new ATOM 1166 N TYR A 167 18.966 2.600 0.200 1.00 21.21 N ATOM 1167 CA TYR A 167 18.337 3.103 -1.012 1.00 4.23 C ATOM 1168 C TYR A 167 19.100 2.642 -2.246 1.00 2.30 C ATOM 1169 O TYR A 167 20.259 3.010 -2.449 1.00 30.41 O ATOM 1170 CB TYR A 167 18.251 4.628 -0.984 1.00 42.10 C ATOM 1171 CG TYR A 167 17.374 5.180 0.121 1.00 21.33 C ATOM 1172 CD1 TYR A 167 17.456 6.517 0.485 1.00 25.12 C ATOM 1173 CD2 TYR A 167 16.464 4.373 0.799 1.00 42.35 C ATOM 1174 CE1 TYR A 167 16.662 7.034 1.489 1.00 44.43 C ATOM 1175 CE2 TYR A 167 15.667 4.885 1.804 1.00 25.11 C ATOM 1176 CZ TYR A 167 15.771 6.216 2.143 1.00 62.13 C ATOM 1177 OH TYR A 167 14.980 6.733 3.144 1.00 64.32 O ATOM 0 H TYR A 167 19.590 3.262 0.662 1.00 21.21 H new ATOM 0 HA TYR A 167 17.325 2.700 -1.059 1.00 4.23 H new ATOM 0 HB2 TYR A 167 19.256 5.035 -0.873 1.00 42.10 H new ATOM 0 HB3 TYR A 167 17.870 4.977 -1.944 1.00 42.10 H new ATOM 0 HD1 TYR A 167 18.153 7.164 -0.026 1.00 25.12 H new ATOM 0 HD2 TYR A 167 16.380 3.329 0.535 1.00 42.35 H new ATOM 0 HE1 TYR A 167 16.740 8.077 1.760 1.00 44.43 H new ATOM 0 HE2 TYR A 167 14.967 4.246 2.321 1.00 25.11 H new ATOM 0 HH TYR A 167 14.405 6.026 3.504 1.00 64.32 H new ATOM 1187 N HIS A 168 18.441 1.834 -3.059 1.00 10.15 N ATOM 1188 CA HIS A 168 19.033 1.299 -4.274 1.00 72.04 C ATOM 1189 C HIS A 168 18.387 1.915 -5.500 1.00 32.24 C ATOM 1190 O HIS A 168 17.175 2.126 -5.538 1.00 32.43 O ATOM 1191 CB HIS A 168 18.879 -0.221 -4.312 1.00 5.34 C ATOM 1192 CG HIS A 168 19.906 -0.938 -3.500 1.00 50.23 C ATOM 1193 ND1 HIS A 168 20.935 -1.629 -4.089 1.00 11.41 N ATOM 1194 CD2 HIS A 168 20.016 -1.036 -2.158 1.00 53.45 C ATOM 1195 CE1 HIS A 168 21.647 -2.130 -3.098 1.00 34.15 C ATOM 1196 NE2 HIS A 168 21.128 -1.797 -1.906 1.00 30.03 N ATOM 0 H HIS A 168 17.481 1.530 -2.896 1.00 10.15 H new ATOM 0 HA HIS A 168 20.094 1.549 -4.277 1.00 72.04 H new ATOM 0 HB2 HIS A 168 17.887 -0.488 -3.948 1.00 5.34 H new ATOM 0 HB3 HIS A 168 18.942 -0.560 -5.346 1.00 5.34 H new ATOM 0 HD2 HIS A 168 19.355 -0.599 -1.424 1.00 53.45 H new ATOM 0 HE1 HIS A 168 22.534 -2.731 -3.229 1.00 34.15 H new ATOM 0 HE2 HIS A 168 21.491 -2.059 -0.990 1.00 30.03 H new ATOM 1204 N THR A 169 19.199 2.211 -6.495 1.00 13.53 N ATOM 1205 CA THR A 169 18.698 2.785 -7.726 1.00 31.11 C ATOM 1206 C THR A 169 18.306 1.681 -8.706 1.00 71.53 C ATOM 1207 O THR A 169 19.116 1.238 -9.519 1.00 70.15 O ATOM 1208 CB THR A 169 19.741 3.718 -8.371 1.00 33.42 C ATOM 1209 OG1 THR A 169 20.175 4.703 -7.419 1.00 14.41 O ATOM 1210 CG2 THR A 169 19.164 4.417 -9.591 1.00 45.23 C ATOM 0 H THR A 169 20.208 2.063 -6.475 1.00 13.53 H new ATOM 0 HA THR A 169 17.815 3.377 -7.484 1.00 31.11 H new ATOM 0 HB THR A 169 20.590 3.110 -8.684 1.00 33.42 H new ATOM 0 HG1 THR A 169 20.839 5.291 -7.836 1.00 14.41 H new ATOM 0 HG21 THR A 169 19.920 5.070 -10.028 1.00 45.23 H new ATOM 0 HG22 THR A 169 18.858 3.673 -10.326 1.00 45.23 H new ATOM 0 HG23 THR A 169 18.299 5.011 -9.295 1.00 45.23 H new ATOM 1218 N VAL A 170 17.069 1.223 -8.602 1.00 35.43 N ATOM 1219 CA VAL A 170 16.558 0.188 -9.486 1.00 32.52 C ATOM 1220 C VAL A 170 15.599 0.803 -10.489 1.00 63.34 C ATOM 1221 O VAL A 170 14.714 1.569 -10.112 1.00 74.25 O ATOM 1222 CB VAL A 170 15.830 -0.931 -8.712 1.00 11.03 C ATOM 1223 CG1 VAL A 170 15.441 -2.061 -9.654 1.00 33.30 C ATOM 1224 CG2 VAL A 170 16.690 -1.452 -7.571 1.00 21.53 C ATOM 0 H VAL A 170 16.397 1.554 -7.910 1.00 35.43 H new ATOM 0 HA VAL A 170 17.412 -0.257 -9.996 1.00 32.52 H new ATOM 0 HB VAL A 170 14.921 -0.512 -8.281 1.00 11.03 H new ATOM 0 HG11 VAL A 170 14.929 -2.842 -9.093 1.00 33.30 H new ATOM 0 HG12 VAL A 170 14.778 -1.677 -10.429 1.00 33.30 H new ATOM 0 HG13 VAL A 170 16.338 -2.475 -10.116 1.00 33.30 H new ATOM 0 HG21 VAL A 170 16.154 -2.240 -7.042 1.00 21.53 H new ATOM 0 HG22 VAL A 170 17.621 -1.853 -7.971 1.00 21.53 H new ATOM 0 HG23 VAL A 170 16.912 -0.638 -6.881 1.00 21.53 H new ATOM 1234 N ASN A 171 15.794 0.482 -11.766 1.00 34.34 N ATOM 1235 CA ASN A 171 14.987 1.049 -12.849 1.00 60.12 C ATOM 1236 C ASN A 171 15.208 2.563 -12.914 1.00 21.31 C ATOM 1237 O ASN A 171 14.409 3.313 -13.474 1.00 62.45 O ATOM 1238 CB ASN A 171 13.497 0.709 -12.637 1.00 3.11 C ATOM 1239 CG ASN A 171 12.600 1.114 -13.796 1.00 1.10 C ATOM 1240 OD1 ASN A 171 11.436 1.466 -13.593 1.00 31.25 O ATOM 1241 ND2 ASN A 171 13.112 1.044 -15.016 1.00 22.12 N ATOM 0 H ASN A 171 16.510 -0.173 -12.080 1.00 34.34 H new ATOM 0 HA ASN A 171 15.295 0.615 -13.800 1.00 60.12 H new ATOM 0 HB2 ASN A 171 13.399 -0.364 -12.473 1.00 3.11 H new ATOM 0 HB3 ASN A 171 13.147 1.203 -11.730 1.00 3.11 H new ATOM 0 HD21 ASN A 171 12.539 1.286 -15.824 1.00 22.12 H new ATOM 0 HD22 ASN A 171 14.079 0.749 -15.147 1.00 22.12 H new ATOM 1248 N GLY A 172 16.327 3.000 -12.347 1.00 71.53 N ATOM 1249 CA GLY A 172 16.627 4.416 -12.276 1.00 23.24 C ATOM 1250 C GLY A 172 15.928 5.092 -11.112 1.00 62.43 C ATOM 1251 O GLY A 172 16.166 6.267 -10.830 1.00 33.21 O ATOM 0 H GLY A 172 17.035 2.394 -11.933 1.00 71.53 H new ATOM 0 HA2 GLY A 172 17.704 4.553 -12.180 1.00 23.24 H new ATOM 0 HA3 GLY A 172 16.326 4.897 -13.207 1.00 23.24 H new ATOM 1255 N HIS A 173 15.079 4.343 -10.426 1.00 51.45 N ATOM 1256 CA HIS A 173 14.283 4.876 -9.332 1.00 1.33 C ATOM 1257 C HIS A 173 14.963 4.590 -7.998 1.00 1.32 C ATOM 1258 O HIS A 173 15.694 3.610 -7.864 1.00 32.21 O ATOM 1259 CB HIS A 173 12.881 4.255 -9.365 1.00 54.14 C ATOM 1260 CG HIS A 173 11.911 4.875 -8.405 1.00 73.41 C ATOM 1261 ND1 HIS A 173 11.571 4.260 -7.226 1.00 43.14 N ATOM 1262 CD2 HIS A 173 11.235 6.043 -8.505 1.00 63.23 C ATOM 1263 CE1 HIS A 173 10.702 5.063 -6.638 1.00 24.15 C ATOM 1264 NE2 HIS A 173 10.466 6.156 -7.377 1.00 71.43 N ATOM 0 H HIS A 173 14.923 3.352 -10.611 1.00 51.45 H new ATOM 0 HA HIS A 173 14.194 5.956 -9.446 1.00 1.33 H new ATOM 0 HB2 HIS A 173 12.481 4.342 -10.375 1.00 54.14 H new ATOM 0 HB3 HIS A 173 12.962 3.190 -9.145 1.00 54.14 H new ATOM 0 HD1 HIS A 173 11.918 3.367 -6.876 1.00 43.14 H new ATOM 0 HD2 HIS A 173 11.291 6.751 -9.319 1.00 63.23 H new ATOM 0 HE1 HIS A 173 10.240 4.864 -5.682 1.00 24.15 H new ATOM 1272 N ASN A 174 14.732 5.450 -7.019 1.00 4.31 N ATOM 1273 CA ASN A 174 15.309 5.270 -5.695 1.00 4.13 C ATOM 1274 C ASN A 174 14.408 4.381 -4.851 1.00 71.41 C ATOM 1275 O ASN A 174 13.402 4.841 -4.307 1.00 5.31 O ATOM 1276 CB ASN A 174 15.503 6.621 -5.005 1.00 1.35 C ATOM 1277 CG ASN A 174 16.246 6.501 -3.687 1.00 5.13 C ATOM 1278 OD1 ASN A 174 17.472 6.575 -3.646 1.00 24.30 O ATOM 1279 ND2 ASN A 174 15.513 6.320 -2.602 1.00 54.32 N ATOM 0 H ASN A 174 14.148 6.281 -7.116 1.00 4.31 H new ATOM 0 HA ASN A 174 16.283 4.792 -5.804 1.00 4.13 H new ATOM 0 HB2 ASN A 174 16.053 7.288 -5.669 1.00 1.35 H new ATOM 0 HB3 ASN A 174 14.529 7.078 -4.829 1.00 1.35 H new ATOM 0 HD21 ASN A 174 15.963 6.237 -1.690 1.00 54.32 H new ATOM 0 HD22 ASN A 174 14.497 6.264 -2.676 1.00 54.32 H new ATOM 1286 N CYS A 175 14.760 3.112 -4.755 1.00 34.02 N ATOM 1287 CA CYS A 175 13.949 2.150 -4.031 1.00 32.14 C ATOM 1288 C CYS A 175 14.647 1.701 -2.750 1.00 72.44 C ATOM 1289 O CYS A 175 15.812 1.310 -2.772 1.00 25.24 O ATOM 1290 CB CYS A 175 13.652 0.943 -4.922 1.00 64.10 C ATOM 1291 SG CYS A 175 12.888 1.372 -6.505 1.00 53.30 S ATOM 0 H CYS A 175 15.606 2.722 -5.171 1.00 34.02 H new ATOM 0 HA CYS A 175 13.010 2.630 -3.755 1.00 32.14 H new ATOM 0 HB2 CYS A 175 14.581 0.406 -5.112 1.00 64.10 H new ATOM 0 HB3 CYS A 175 12.994 0.260 -4.385 1.00 64.10 H new ATOM 0 HG CYS A 175 12.675 0.289 -7.192 1.00 53.30 H new ATOM 1297 N GLU A 176 13.932 1.775 -1.639 1.00 14.20 N ATOM 1298 CA GLU A 176 14.462 1.346 -0.350 1.00 13.43 C ATOM 1299 C GLU A 176 14.454 -0.175 -0.248 1.00 71.10 C ATOM 1300 O GLU A 176 13.407 -0.813 -0.407 1.00 63.23 O ATOM 1301 CB GLU A 176 13.634 1.954 0.785 1.00 25.10 C ATOM 1302 CG GLU A 176 14.045 1.488 2.170 1.00 41.43 C ATOM 1303 CD GLU A 176 13.049 1.888 3.238 1.00 74.14 C ATOM 1304 OE1 GLU A 176 12.878 3.102 3.474 1.00 32.45 O ATOM 1305 OE2 GLU A 176 12.453 0.989 3.865 1.00 2.33 O ATOM 0 H GLU A 176 12.977 2.130 -1.602 1.00 14.20 H new ATOM 0 HA GLU A 176 15.492 1.693 -0.264 1.00 13.43 H new ATOM 0 HB2 GLU A 176 13.717 3.040 0.739 1.00 25.10 H new ATOM 0 HB3 GLU A 176 12.584 1.707 0.627 1.00 25.10 H new ATOM 0 HG2 GLU A 176 14.153 0.403 2.167 1.00 41.43 H new ATOM 0 HG3 GLU A 176 15.022 1.905 2.415 1.00 41.43 H new ATOM 1312 N VAL A 177 15.620 -0.750 0.009 1.00 14.33 N ATOM 1313 CA VAL A 177 15.746 -2.192 0.125 1.00 43.45 C ATOM 1314 C VAL A 177 16.248 -2.572 1.520 1.00 55.32 C ATOM 1315 O VAL A 177 16.927 -1.786 2.188 1.00 41.20 O ATOM 1316 CB VAL A 177 16.695 -2.784 -0.951 1.00 20.41 C ATOM 1317 CG1 VAL A 177 16.583 -2.020 -2.260 1.00 51.21 C ATOM 1318 CG2 VAL A 177 18.131 -2.833 -0.456 1.00 11.42 C ATOM 0 H VAL A 177 16.492 -0.238 0.141 1.00 14.33 H new ATOM 0 HA VAL A 177 14.754 -2.615 -0.036 1.00 43.45 H new ATOM 0 HB VAL A 177 16.382 -3.811 -1.141 1.00 20.41 H new ATOM 0 HG11 VAL A 177 17.259 -2.457 -2.995 1.00 51.21 H new ATOM 0 HG12 VAL A 177 15.559 -2.078 -2.629 1.00 51.21 H new ATOM 0 HG13 VAL A 177 16.851 -0.976 -2.096 1.00 51.21 H new ATOM 0 HG21 VAL A 177 18.770 -3.253 -1.233 1.00 11.42 H new ATOM 0 HG22 VAL A 177 18.467 -1.825 -0.215 1.00 11.42 H new ATOM 0 HG23 VAL A 177 18.187 -3.457 0.436 1.00 11.42 H new ATOM 1328 N ARG A 178 15.875 -3.761 1.964 1.00 32.14 N ATOM 1329 CA ARG A 178 16.344 -4.305 3.230 1.00 52.45 C ATOM 1330 C ARG A 178 16.668 -5.777 3.038 1.00 74.43 C ATOM 1331 O ARG A 178 16.625 -6.277 1.916 1.00 44.21 O ATOM 1332 CB ARG A 178 15.267 -4.160 4.312 1.00 2.14 C ATOM 1333 CG ARG A 178 14.555 -2.819 4.296 1.00 35.24 C ATOM 1334 CD ARG A 178 13.643 -2.658 5.498 1.00 13.24 C ATOM 1335 NE ARG A 178 12.883 -1.413 5.440 1.00 31.52 N ATOM 1336 CZ ARG A 178 11.955 -1.059 6.325 1.00 12.30 C ATOM 1337 NH1 ARG A 178 11.665 -1.848 7.352 1.00 3.23 N ATOM 1338 NH2 ARG A 178 11.326 0.093 6.180 1.00 11.41 N ATOM 0 H ARG A 178 15.239 -4.377 1.458 1.00 32.14 H new ATOM 0 HA ARG A 178 17.231 -3.758 3.548 1.00 52.45 H new ATOM 0 HB2 ARG A 178 14.530 -4.953 4.186 1.00 2.14 H new ATOM 0 HB3 ARG A 178 15.726 -4.305 5.290 1.00 2.14 H new ATOM 0 HG2 ARG A 178 15.291 -2.015 4.287 1.00 35.24 H new ATOM 0 HG3 ARG A 178 13.971 -2.727 3.380 1.00 35.24 H new ATOM 0 HD2 ARG A 178 12.955 -3.502 5.547 1.00 13.24 H new ATOM 0 HD3 ARG A 178 14.238 -2.678 6.411 1.00 13.24 H new ATOM 0 HE ARG A 178 13.076 -0.772 4.670 1.00 31.52 H new ATOM 0 HH11 ARG A 178 12.155 -2.735 7.468 1.00 3.23 H new ATOM 0 HH12 ARG A 178 10.952 -1.568 8.025 1.00 3.23 H new ATOM 0 HH21 ARG A 178 11.553 0.703 5.395 1.00 11.41 H new ATOM 0 HH22 ARG A 178 10.613 0.373 6.853 1.00 11.41 H new ATOM 1352 N LYS A 179 16.994 -6.475 4.113 1.00 12.44 N ATOM 1353 CA LYS A 179 17.111 -7.924 4.048 1.00 75.04 C ATOM 1354 C LYS A 179 15.765 -8.553 4.391 1.00 12.44 C ATOM 1355 O LYS A 179 15.111 -8.150 5.350 1.00 13.21 O ATOM 1356 CB LYS A 179 18.225 -8.435 4.972 1.00 64.41 C ATOM 1357 CG LYS A 179 18.063 -8.060 6.437 1.00 15.15 C ATOM 1358 CD LYS A 179 19.285 -8.459 7.251 1.00 40.53 C ATOM 1359 CE LYS A 179 19.597 -9.943 7.109 1.00 41.42 C ATOM 1360 NZ LYS A 179 20.825 -10.329 7.851 1.00 24.24 N ATOM 0 H LYS A 179 17.180 -6.070 5.030 1.00 12.44 H new ATOM 0 HA LYS A 179 17.387 -8.215 3.034 1.00 75.04 H new ATOM 0 HB2 LYS A 179 18.273 -9.521 4.893 1.00 64.41 H new ATOM 0 HB3 LYS A 179 19.179 -8.047 4.616 1.00 64.41 H new ATOM 0 HG2 LYS A 179 17.902 -6.985 6.523 1.00 15.15 H new ATOM 0 HG3 LYS A 179 17.178 -8.549 6.844 1.00 15.15 H new ATOM 0 HD2 LYS A 179 20.145 -7.874 6.926 1.00 40.53 H new ATOM 0 HD3 LYS A 179 19.116 -8.222 8.301 1.00 40.53 H new ATOM 0 HE2 LYS A 179 18.753 -10.527 7.476 1.00 41.42 H new ATOM 0 HE3 LYS A 179 19.719 -10.188 6.054 1.00 41.42 H new ATOM 0 HZ1 LYS A 179 21.000 -11.347 7.727 1.00 24.24 H new ATOM 0 HZ2 LYS A 179 21.636 -9.791 7.484 1.00 24.24 H new ATOM 0 HZ3 LYS A 179 20.700 -10.120 8.862 1.00 24.24 H new ATOM 1374 N ALA A 180 15.335 -9.511 3.586 1.00 45.33 N ATOM 1375 CA ALA A 180 14.005 -10.087 3.739 1.00 10.45 C ATOM 1376 C ALA A 180 13.966 -11.162 4.821 1.00 32.23 C ATOM 1377 O ALA A 180 14.596 -12.211 4.690 1.00 42.10 O ATOM 1378 CB ALA A 180 13.530 -10.657 2.411 1.00 51.04 C ATOM 0 H ALA A 180 15.884 -9.906 2.822 1.00 45.33 H new ATOM 0 HA ALA A 180 13.334 -9.288 4.053 1.00 10.45 H new ATOM 0 HB1 ALA A 180 12.535 -11.086 2.534 1.00 51.04 H new ATOM 0 HB2 ALA A 180 13.493 -9.862 1.666 1.00 51.04 H new ATOM 0 HB3 ALA A 180 14.221 -11.432 2.080 1.00 51.04 H new ATOM 1384 N LEU A 181 13.230 -10.889 5.893 1.00 61.12 N ATOM 1385 CA LEU A 181 13.000 -11.884 6.933 1.00 33.24 C ATOM 1386 C LEU A 181 11.596 -12.458 6.772 1.00 0.02 C ATOM 1387 O LEU A 181 10.676 -11.737 6.384 1.00 34.31 O ATOM 1388 CB LEU A 181 13.177 -11.290 8.344 1.00 12.30 C ATOM 1389 CG LEU A 181 12.025 -10.426 8.877 1.00 32.31 C ATOM 1390 CD1 LEU A 181 12.224 -10.140 10.356 1.00 44.22 C ATOM 1391 CD2 LEU A 181 11.910 -9.120 8.109 1.00 43.01 C ATOM 0 H LEU A 181 12.783 -9.988 6.064 1.00 61.12 H new ATOM 0 HA LEU A 181 13.741 -12.676 6.823 1.00 33.24 H new ATOM 0 HB2 LEU A 181 13.337 -12.112 9.042 1.00 12.30 H new ATOM 0 HB3 LEU A 181 14.085 -10.687 8.348 1.00 12.30 H new ATOM 0 HG LEU A 181 11.099 -10.984 8.738 1.00 32.31 H new ATOM 0 HD11 LEU A 181 11.401 -9.527 10.722 1.00 44.22 H new ATOM 0 HD12 LEU A 181 12.250 -11.080 10.908 1.00 44.22 H new ATOM 0 HD13 LEU A 181 13.165 -9.608 10.500 1.00 44.22 H new ATOM 0 HD21 LEU A 181 11.085 -8.532 8.512 1.00 43.01 H new ATOM 0 HD22 LEU A 181 12.838 -8.557 8.207 1.00 43.01 H new ATOM 0 HD23 LEU A 181 11.724 -9.332 7.056 1.00 43.01 H new ATOM 1403 N SER A 182 11.442 -13.743 7.061 1.00 31.25 N ATOM 1404 CA SER A 182 10.169 -14.439 6.879 1.00 61.33 C ATOM 1405 C SER A 182 9.029 -13.701 7.580 1.00 30.24 C ATOM 1406 O SER A 182 9.162 -13.313 8.745 1.00 2.44 O ATOM 1407 CB SER A 182 10.285 -15.854 7.438 1.00 31.30 C ATOM 1408 OG SER A 182 11.548 -16.423 7.125 1.00 5.43 O ATOM 0 H SER A 182 12.190 -14.333 7.427 1.00 31.25 H new ATOM 0 HA SER A 182 9.944 -14.474 5.813 1.00 61.33 H new ATOM 0 HB2 SER A 182 10.149 -15.834 8.519 1.00 31.30 H new ATOM 0 HB3 SER A 182 9.490 -16.477 7.028 1.00 31.30 H new ATOM 0 HG SER A 182 12.012 -16.666 7.953 1.00 5.43 H new ATOM 1414 N LYS A 183 7.906 -13.518 6.882 1.00 75.30 N ATOM 1415 CA LYS A 183 6.761 -12.822 7.463 1.00 75.31 C ATOM 1416 C LYS A 183 6.245 -13.594 8.668 1.00 42.30 C ATOM 1417 O LYS A 183 5.733 -13.011 9.622 1.00 10.11 O ATOM 1418 CB LYS A 183 5.631 -12.612 6.440 1.00 15.01 C ATOM 1419 CG LYS A 183 5.011 -13.890 5.892 1.00 62.13 C ATOM 1420 CD LYS A 183 3.608 -13.629 5.358 1.00 44.43 C ATOM 1421 CE LYS A 183 2.961 -14.896 4.831 1.00 73.24 C ATOM 1422 NZ LYS A 183 1.501 -14.718 4.626 1.00 3.44 N ATOM 0 H LYS A 183 7.767 -13.839 5.924 1.00 75.30 H new ATOM 0 HA LYS A 183 7.098 -11.835 7.778 1.00 75.31 H new ATOM 0 HB2 LYS A 183 4.846 -12.016 6.906 1.00 15.01 H new ATOM 0 HB3 LYS A 183 6.021 -12.029 5.606 1.00 15.01 H new ATOM 0 HG2 LYS A 183 5.639 -14.291 5.096 1.00 62.13 H new ATOM 0 HG3 LYS A 183 4.971 -14.645 6.677 1.00 62.13 H new ATOM 0 HD2 LYS A 183 2.990 -13.208 6.151 1.00 44.43 H new ATOM 0 HD3 LYS A 183 3.655 -12.886 4.562 1.00 44.43 H new ATOM 0 HE2 LYS A 183 3.430 -15.180 3.889 1.00 73.24 H new ATOM 0 HE3 LYS A 183 3.134 -15.713 5.532 1.00 73.24 H new ATOM 0 HZ1 LYS A 183 1.091 -15.603 4.265 1.00 3.44 H new ATOM 0 HZ2 LYS A 183 1.051 -14.471 5.530 1.00 3.44 H new ATOM 0 HZ3 LYS A 183 1.337 -13.955 3.938 1.00 3.44 H new ATOM 1436 N GLN A 184 6.415 -14.908 8.620 1.00 63.04 N ATOM 1437 CA GLN A 184 6.046 -15.780 9.724 1.00 60.24 C ATOM 1438 C GLN A 184 6.823 -15.401 10.983 1.00 20.44 C ATOM 1439 O GLN A 184 6.274 -15.357 12.085 1.00 53.33 O ATOM 1440 CB GLN A 184 6.345 -17.232 9.349 1.00 24.41 C ATOM 1441 CG GLN A 184 5.885 -18.246 10.382 1.00 62.20 C ATOM 1442 CD GLN A 184 6.321 -19.654 10.035 1.00 24.10 C ATOM 1443 OE1 GLN A 184 5.613 -20.387 9.343 1.00 4.04 O ATOM 1444 NE2 GLN A 184 7.490 -20.045 10.516 1.00 22.30 N ATOM 0 H GLN A 184 6.811 -15.397 7.817 1.00 63.04 H new ATOM 0 HA GLN A 184 4.981 -15.667 9.924 1.00 60.24 H new ATOM 0 HB2 GLN A 184 5.865 -17.456 8.396 1.00 24.41 H new ATOM 0 HB3 GLN A 184 7.419 -17.344 9.199 1.00 24.41 H new ATOM 0 HG2 GLN A 184 6.285 -17.974 11.359 1.00 62.20 H new ATOM 0 HG3 GLN A 184 4.798 -18.213 10.462 1.00 62.20 H new ATOM 0 HE21 GLN A 184 8.046 -19.407 11.085 1.00 22.30 H new ATOM 0 HE22 GLN A 184 7.835 -20.984 10.317 1.00 22.30 H new ATOM 1453 N GLU A 185 8.101 -15.102 10.800 1.00 55.00 N ATOM 1454 CA GLU A 185 8.990 -14.825 11.917 1.00 63.05 C ATOM 1455 C GLU A 185 8.907 -13.367 12.339 1.00 54.42 C ATOM 1456 O GLU A 185 8.928 -13.060 13.528 1.00 53.32 O ATOM 1457 CB GLU A 185 10.430 -15.181 11.551 1.00 44.01 C ATOM 1458 CG GLU A 185 10.616 -16.639 11.168 1.00 11.21 C ATOM 1459 CD GLU A 185 12.055 -16.971 10.840 1.00 75.01 C ATOM 1460 OE1 GLU A 185 12.438 -16.878 9.651 1.00 5.03 O ATOM 1461 OE2 GLU A 185 12.813 -17.323 11.766 1.00 53.24 O ATOM 0 H GLU A 185 8.546 -15.045 9.884 1.00 55.00 H new ATOM 0 HA GLU A 185 8.672 -15.442 12.757 1.00 63.05 H new ATOM 0 HB2 GLU A 185 10.751 -14.552 10.721 1.00 44.01 H new ATOM 0 HB3 GLU A 185 11.079 -14.950 12.396 1.00 44.01 H new ATOM 0 HG2 GLU A 185 10.278 -17.273 11.988 1.00 11.21 H new ATOM 0 HG3 GLU A 185 9.988 -16.869 10.307 1.00 11.21 H new ATOM 1468 N MET A 186 8.801 -12.468 11.366 1.00 11.34 N ATOM 1469 CA MET A 186 8.742 -11.041 11.665 1.00 73.53 C ATOM 1470 C MET A 186 7.434 -10.697 12.373 1.00 1.04 C ATOM 1471 O MET A 186 7.339 -9.681 13.063 1.00 22.13 O ATOM 1472 CB MET A 186 8.907 -10.200 10.394 1.00 55.14 C ATOM 1473 CG MET A 186 7.686 -10.156 9.496 1.00 63.34 C ATOM 1474 SD MET A 186 7.939 -9.099 8.060 1.00 63.54 S ATOM 1475 CE MET A 186 8.166 -7.503 8.841 1.00 54.33 C ATOM 0 H MET A 186 8.755 -12.698 10.373 1.00 11.34 H new ATOM 0 HA MET A 186 9.571 -10.802 12.332 1.00 73.53 H new ATOM 0 HB2 MET A 186 9.166 -9.181 10.681 1.00 55.14 H new ATOM 0 HB3 MET A 186 9.747 -10.593 9.822 1.00 55.14 H new ATOM 0 HG2 MET A 186 7.444 -11.166 9.164 1.00 63.34 H new ATOM 0 HG3 MET A 186 6.830 -9.794 10.066 1.00 63.34 H new ATOM 0 HE1 MET A 186 7.963 -6.712 8.119 1.00 54.33 H new ATOM 0 HE2 MET A 186 7.481 -7.410 9.684 1.00 54.33 H new ATOM 0 HE3 MET A 186 9.193 -7.415 9.196 1.00 54.33 H new