USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=16 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 169 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 174 ASN : amide:sc= -2.4 K(o=-2.4,f=-4.5!) USER MOD Set 2.1: A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 167 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 124 TYR OH : rot 23:sc= 1.28 USER MOD Set 3.2: A 128 TYR OH : rot -155:sc= 0.171 USER MOD Set 3.3: A 165 GLN :FLIP amide:sc= -0.0183 F(o=-2,f=0.087) USER MOD Set 3.4: A 168 HIS : no HD1:sc= -1.34! C(o=0.087!,f=-8.9!) USER MOD Set 4.1: A 119 HIS : no HE2:sc= -1.82 X(o=-5.3,f=-5.6) USER MOD Set 4.2: A 120 HIS : no HD1:sc= -3.49! C(o=-5.3!,f=-8.1!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= 1.17 K(o=1.2,f=-0.22) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 138:sc= -0.23 (180deg=-0.713) USER MOD Single : A 152 THR OG1 : rot -130:sc= -3.21! USER MOD Single : A 156 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.17) USER MOD Single : A 158 SER OG : rot -77:sc= -0.283 USER MOD Single : A 161 LYS NZ :NH3+ 141:sc= 1.21 (180deg=0.246) USER MOD Single : A 171 ASN : amide:sc= 0.0587! K(o=0.059!,f=-0.62) USER MOD Single : A 173 HIS :FLIP no HD1:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 175 CYS SG : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ -102:sc= -2.4! (180deg=-4.62!) USER MOD Single : A 182 SER OG : rot 85:sc= 0.711 USER MOD Single : A 183 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0183) USER MOD Single : A 184 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.042) USER MOD Single : A 186 MET CE :methyl -164:sc= -0.166 (180deg=-0.701) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.164 -14.240 5.242 1.00 54.54 N ATOM 137 CA VAL A 104 19.921 -14.135 4.501 1.00 40.22 C ATOM 138 C VAL A 104 20.204 -14.265 3.003 1.00 1.55 C ATOM 139 O VAL A 104 21.248 -13.828 2.527 1.00 31.02 O ATOM 140 CB VAL A 104 19.220 -12.789 4.820 1.00 42.41 C ATOM 141 CG1 VAL A 104 20.073 -11.605 4.386 1.00 34.04 C ATOM 142 CG2 VAL A 104 17.840 -12.715 4.189 1.00 33.33 C ATOM 0 HA VAL A 104 19.252 -14.942 4.799 1.00 40.22 H new ATOM 0 HB VAL A 104 19.096 -12.739 5.902 1.00 42.41 H new ATOM 0 HG11 VAL A 104 19.554 -10.676 4.623 1.00 34.04 H new ATOM 0 HG12 VAL A 104 21.027 -11.632 4.912 1.00 34.04 H new ATOM 0 HG13 VAL A 104 20.249 -11.658 3.312 1.00 34.04 H new ATOM 0 HG21 VAL A 104 17.379 -11.758 4.434 1.00 33.33 H new ATOM 0 HG22 VAL A 104 17.929 -12.808 3.107 1.00 33.33 H new ATOM 0 HG23 VAL A 104 17.220 -13.525 4.573 1.00 33.33 H new ATOM 152 N LYS A 105 19.296 -14.892 2.268 1.00 31.42 N ATOM 153 CA LYS A 105 19.513 -15.137 0.846 1.00 12.05 C ATOM 154 C LYS A 105 18.422 -14.505 -0.003 1.00 3.43 C ATOM 155 O LYS A 105 18.345 -14.728 -1.207 1.00 33.40 O ATOM 156 CB LYS A 105 19.604 -16.640 0.582 1.00 73.15 C ATOM 157 CG LYS A 105 20.969 -17.213 0.919 1.00 42.54 C ATOM 158 CD LYS A 105 20.882 -18.646 1.400 1.00 21.01 C ATOM 159 CE LYS A 105 20.214 -18.736 2.762 1.00 54.40 C ATOM 160 NZ LYS A 105 20.179 -20.132 3.265 1.00 41.23 N ATOM 0 H LYS A 105 18.407 -15.239 2.628 1.00 31.42 H new ATOM 0 HA LYS A 105 20.456 -14.670 0.562 1.00 12.05 H new ATOM 0 HB2 LYS A 105 18.844 -17.155 1.169 1.00 73.15 H new ATOM 0 HB3 LYS A 105 19.382 -16.834 -0.467 1.00 73.15 H new ATOM 0 HG2 LYS A 105 21.609 -17.165 0.038 1.00 42.54 H new ATOM 0 HG3 LYS A 105 21.439 -16.601 1.689 1.00 42.54 H new ATOM 0 HD2 LYS A 105 20.321 -19.240 0.678 1.00 21.01 H new ATOM 0 HD3 LYS A 105 21.883 -19.074 1.455 1.00 21.01 H new ATOM 0 HE2 LYS A 105 20.750 -18.107 3.472 1.00 54.40 H new ATOM 0 HE3 LYS A 105 19.198 -18.348 2.695 1.00 54.40 H new ATOM 0 HZ1 LYS A 105 19.716 -20.154 4.196 1.00 41.23 H new ATOM 0 HZ2 LYS A 105 19.646 -20.728 2.599 1.00 41.23 H new ATOM 0 HZ3 LYS A 105 21.150 -20.494 3.352 1.00 41.23 H new ATOM 174 N LYS A 106 17.590 -13.706 0.631 1.00 3.14 N ATOM 175 CA LYS A 106 16.565 -12.956 -0.068 1.00 30.41 C ATOM 176 C LYS A 106 16.485 -11.549 0.507 1.00 31.11 C ATOM 177 O LYS A 106 16.544 -11.366 1.721 1.00 50.02 O ATOM 178 CB LYS A 106 15.215 -13.676 0.031 1.00 51.13 C ATOM 179 CG LYS A 106 14.056 -12.923 -0.608 1.00 40.33 C ATOM 180 CD LYS A 106 12.931 -13.866 -1.013 1.00 31.14 C ATOM 181 CE LYS A 106 12.392 -14.657 0.163 1.00 61.21 C ATOM 182 NZ LYS A 106 11.497 -15.758 -0.276 1.00 63.01 N ATOM 0 H LYS A 106 17.604 -13.558 1.640 1.00 3.14 H new ATOM 0 HA LYS A 106 16.823 -12.885 -1.125 1.00 30.41 H new ATOM 0 HB2 LYS A 106 15.302 -14.654 -0.442 1.00 51.13 H new ATOM 0 HB3 LYS A 106 14.985 -13.850 1.082 1.00 51.13 H new ATOM 0 HG2 LYS A 106 13.674 -12.180 0.092 1.00 40.33 H new ATOM 0 HG3 LYS A 106 14.412 -12.382 -1.485 1.00 40.33 H new ATOM 0 HD2 LYS A 106 12.122 -13.291 -1.463 1.00 31.14 H new ATOM 0 HD3 LYS A 106 13.294 -14.555 -1.776 1.00 31.14 H new ATOM 0 HE2 LYS A 106 13.223 -15.070 0.734 1.00 61.21 H new ATOM 0 HE3 LYS A 106 11.847 -13.990 0.830 1.00 61.21 H new ATOM 0 HZ1 LYS A 106 11.149 -16.275 0.556 1.00 63.01 H new ATOM 0 HZ2 LYS A 106 10.690 -15.362 -0.800 1.00 63.01 H new ATOM 0 HZ3 LYS A 106 12.024 -16.409 -0.893 1.00 63.01 H new ATOM 196 N ILE A 107 16.391 -10.556 -0.361 1.00 25.53 N ATOM 197 CA ILE A 107 16.304 -9.175 0.085 1.00 64.01 C ATOM 198 C ILE A 107 14.895 -8.633 -0.118 1.00 72.25 C ATOM 199 O ILE A 107 14.122 -9.161 -0.921 1.00 74.53 O ATOM 200 CB ILE A 107 17.299 -8.262 -0.651 1.00 32.02 C ATOM 201 CG1 ILE A 107 16.881 -8.096 -2.105 1.00 32.11 C ATOM 202 CG2 ILE A 107 18.710 -8.829 -0.565 1.00 74.04 C ATOM 203 CD1 ILE A 107 17.345 -6.797 -2.692 1.00 11.31 C ATOM 0 H ILE A 107 16.373 -10.679 -1.373 1.00 25.53 H new ATOM 0 HA ILE A 107 16.556 -9.175 1.145 1.00 64.01 H new ATOM 0 HB ILE A 107 17.294 -7.283 -0.171 1.00 32.02 H new ATOM 0 HG12 ILE A 107 17.285 -8.921 -2.692 1.00 32.11 H new ATOM 0 HG13 ILE A 107 15.795 -8.156 -2.176 1.00 32.11 H new ATOM 0 HG21 ILE A 107 19.400 -8.169 -1.091 1.00 74.04 H new ATOM 0 HG22 ILE A 107 19.008 -8.906 0.481 1.00 74.04 H new ATOM 0 HG23 ILE A 107 18.733 -9.818 -1.023 1.00 74.04 H new ATOM 0 HD11 ILE A 107 17.020 -6.730 -3.730 1.00 11.31 H new ATOM 0 HD12 ILE A 107 16.920 -5.969 -2.125 1.00 11.31 H new ATOM 0 HD13 ILE A 107 18.433 -6.746 -2.648 1.00 11.31 H new ATOM 215 N PHE A 108 14.573 -7.581 0.610 1.00 24.22 N ATOM 216 CA PHE A 108 13.263 -6.959 0.527 1.00 2.51 C ATOM 217 C PHE A 108 13.373 -5.618 -0.174 1.00 53.34 C ATOM 218 O PHE A 108 14.022 -4.706 0.329 1.00 5.43 O ATOM 219 CB PHE A 108 12.665 -6.775 1.929 1.00 63.55 C ATOM 220 CG PHE A 108 11.424 -5.921 1.959 1.00 4.45 C ATOM 221 CD1 PHE A 108 10.231 -6.384 1.432 1.00 21.11 C ATOM 222 CD2 PHE A 108 11.456 -4.652 2.519 1.00 0.23 C ATOM 223 CE1 PHE A 108 9.093 -5.600 1.462 1.00 45.52 C ATOM 224 CE2 PHE A 108 10.322 -3.863 2.552 1.00 30.40 C ATOM 225 CZ PHE A 108 9.138 -4.339 2.022 1.00 32.22 C ATOM 0 H PHE A 108 15.207 -7.135 1.272 1.00 24.22 H new ATOM 0 HA PHE A 108 12.603 -7.609 -0.047 1.00 2.51 H new ATOM 0 HB2 PHE A 108 12.429 -7.755 2.344 1.00 63.55 H new ATOM 0 HB3 PHE A 108 13.418 -6.327 2.578 1.00 63.55 H new ATOM 0 HD1 PHE A 108 10.189 -7.369 0.992 1.00 21.11 H new ATOM 0 HD2 PHE A 108 12.379 -4.276 2.935 1.00 0.23 H new ATOM 0 HE1 PHE A 108 8.169 -5.974 1.047 1.00 45.52 H new ATOM 0 HE2 PHE A 108 10.361 -2.877 2.991 1.00 30.40 H new ATOM 0 HZ PHE A 108 8.249 -3.726 2.046 1.00 32.22 H new ATOM 235 N VAL A 109 12.752 -5.509 -1.335 1.00 54.34 N ATOM 236 CA VAL A 109 12.764 -4.265 -2.081 1.00 74.03 C ATOM 237 C VAL A 109 11.430 -3.550 -1.913 1.00 60.23 C ATOM 238 O VAL A 109 10.423 -3.939 -2.510 1.00 54.45 O ATOM 239 CB VAL A 109 13.036 -4.499 -3.582 1.00 41.51 C ATOM 240 CG1 VAL A 109 13.408 -3.195 -4.268 1.00 0.55 C ATOM 241 CG2 VAL A 109 14.126 -5.540 -3.779 1.00 12.22 C ATOM 0 H VAL A 109 12.234 -6.266 -1.781 1.00 54.34 H new ATOM 0 HA VAL A 109 13.571 -3.650 -1.684 1.00 74.03 H new ATOM 0 HB VAL A 109 12.121 -4.877 -4.038 1.00 41.51 H new ATOM 0 HG11 VAL A 109 13.596 -3.381 -5.325 1.00 0.55 H new ATOM 0 HG12 VAL A 109 12.589 -2.483 -4.165 1.00 0.55 H new ATOM 0 HG13 VAL A 109 14.306 -2.784 -3.807 1.00 0.55 H new ATOM 0 HG21 VAL A 109 14.300 -5.688 -4.845 1.00 12.22 H new ATOM 0 HG22 VAL A 109 15.046 -5.198 -3.305 1.00 12.22 H new ATOM 0 HG23 VAL A 109 13.815 -6.482 -3.328 1.00 12.22 H new ATOM 251 N GLY A 110 11.428 -2.520 -1.083 1.00 2.44 N ATOM 252 CA GLY A 110 10.212 -1.798 -0.794 1.00 1.33 C ATOM 253 C GLY A 110 10.259 -0.381 -1.314 1.00 2.20 C ATOM 254 O GLY A 110 11.335 0.149 -1.604 1.00 23.31 O ATOM 0 H GLY A 110 12.256 -2.170 -0.601 1.00 2.44 H new ATOM 0 HA2 GLY A 110 9.366 -2.320 -1.240 1.00 1.33 H new ATOM 0 HA3 GLY A 110 10.046 -1.784 0.283 1.00 1.33 H new ATOM 347 N GLU A 117 9.354 -4.900 -12.014 1.00 71.22 N ATOM 348 CA GLU A 117 9.059 -6.321 -11.874 1.00 34.24 C ATOM 349 C GLU A 117 10.336 -7.151 -11.732 1.00 25.24 C ATOM 350 O GLU A 117 11.402 -6.619 -11.414 1.00 1.10 O ATOM 351 CB GLU A 117 8.233 -6.802 -13.071 1.00 70.44 C ATOM 352 CG GLU A 117 8.990 -6.890 -14.381 1.00 13.44 C ATOM 353 CD GLU A 117 8.071 -7.227 -15.533 1.00 61.35 C ATOM 354 OE1 GLU A 117 7.968 -8.420 -15.883 1.00 14.53 O ATOM 355 OE2 GLU A 117 7.426 -6.307 -16.075 1.00 2.54 O ATOM 0 HA GLU A 117 8.480 -6.458 -10.961 1.00 34.24 H new ATOM 0 HB2 GLU A 117 7.824 -7.785 -12.839 1.00 70.44 H new ATOM 0 HB3 GLU A 117 7.387 -6.128 -13.203 1.00 70.44 H new ATOM 0 HG2 GLU A 117 9.489 -5.941 -14.578 1.00 13.44 H new ATOM 0 HG3 GLU A 117 9.769 -7.649 -14.302 1.00 13.44 H new ATOM 362 N GLU A 118 10.205 -8.459 -11.972 1.00 45.03 N ATOM 363 CA GLU A 118 11.295 -9.415 -11.801 1.00 11.14 C ATOM 364 C GLU A 118 12.526 -9.016 -12.605 1.00 2.42 C ATOM 365 O GLU A 118 13.611 -8.869 -12.040 1.00 43.12 O ATOM 366 CB GLU A 118 10.800 -10.832 -12.169 1.00 1.11 C ATOM 367 CG GLU A 118 11.863 -11.931 -12.212 1.00 13.24 C ATOM 368 CD GLU A 118 12.642 -11.996 -13.509 1.00 52.32 C ATOM 369 OE1 GLU A 118 12.035 -12.287 -14.558 1.00 60.53 O ATOM 370 OE2 GLU A 118 13.873 -11.797 -13.475 1.00 11.44 O ATOM 0 H GLU A 118 9.334 -8.883 -12.292 1.00 45.03 H new ATOM 0 HA GLU A 118 11.602 -9.415 -10.755 1.00 11.14 H new ATOM 0 HB2 GLU A 118 10.034 -11.124 -11.450 1.00 1.11 H new ATOM 0 HB3 GLU A 118 10.318 -10.783 -13.146 1.00 1.11 H new ATOM 0 HG2 GLU A 118 12.562 -11.776 -11.390 1.00 13.24 H new ATOM 0 HG3 GLU A 118 11.380 -12.894 -12.043 1.00 13.24 H new ATOM 377 N HIS A 119 12.356 -8.814 -13.906 1.00 30.10 N ATOM 378 CA HIS A 119 13.490 -8.522 -14.774 1.00 14.42 C ATOM 379 C HIS A 119 14.158 -7.202 -14.382 1.00 20.54 C ATOM 380 O HIS A 119 15.367 -7.047 -14.535 1.00 74.24 O ATOM 381 CB HIS A 119 13.062 -8.511 -16.252 1.00 70.04 C ATOM 382 CG HIS A 119 12.584 -7.188 -16.771 1.00 54.22 C ATOM 383 ND1 HIS A 119 13.407 -6.391 -17.526 1.00 1.43 N ATOM 384 CD2 HIS A 119 11.384 -6.577 -16.626 1.00 21.22 C ATOM 385 CE1 HIS A 119 12.698 -5.319 -17.823 1.00 63.11 C ATOM 386 NE2 HIS A 119 11.465 -5.387 -17.305 1.00 52.42 N ATOM 0 H HIS A 119 11.453 -8.846 -14.380 1.00 30.10 H new ATOM 0 HA HIS A 119 14.225 -9.316 -14.645 1.00 14.42 H new ATOM 0 HB2 HIS A 119 13.906 -8.838 -16.860 1.00 70.04 H new ATOM 0 HB3 HIS A 119 12.268 -9.245 -16.389 1.00 70.04 H new ATOM 0 HD1 HIS A 119 14.369 -6.587 -17.801 1.00 1.43 H new ATOM 0 HD2 HIS A 119 10.530 -6.953 -16.082 1.00 21.22 H new ATOM 0 HE1 HIS A 119 13.066 -4.491 -18.410 1.00 63.11 H new ATOM 394 N HIS A 120 13.365 -6.264 -13.860 1.00 31.21 N ATOM 395 CA HIS A 120 13.887 -4.979 -13.406 1.00 62.43 C ATOM 396 C HIS A 120 14.855 -5.175 -12.246 1.00 14.01 C ATOM 397 O HIS A 120 16.033 -4.824 -12.330 1.00 13.23 O ATOM 398 CB HIS A 120 12.756 -4.057 -12.941 1.00 73.11 C ATOM 399 CG HIS A 120 11.890 -3.527 -14.033 1.00 71.34 C ATOM 400 ND1 HIS A 120 10.692 -4.114 -14.339 1.00 62.00 N ATOM 401 CD2 HIS A 120 12.070 -2.446 -14.823 1.00 42.53 C ATOM 402 CE1 HIS A 120 10.165 -3.380 -15.302 1.00 34.10 C ATOM 403 NE2 HIS A 120 10.964 -2.358 -15.631 1.00 71.40 N ATOM 0 H HIS A 120 12.358 -6.373 -13.742 1.00 31.21 H new ATOM 0 HA HIS A 120 14.403 -4.523 -14.251 1.00 62.43 H new ATOM 0 HB2 HIS A 120 12.131 -4.601 -12.233 1.00 73.11 H new ATOM 0 HB3 HIS A 120 13.191 -3.216 -12.401 1.00 73.11 H new ATOM 0 HD2 HIS A 120 12.920 -1.780 -14.819 1.00 42.53 H new ATOM 0 HE1 HIS A 120 9.210 -3.579 -15.765 1.00 34.10 H new ATOM 0 HE2 HIS A 120 10.786 -1.651 -16.344 1.00 71.40 H new ATOM 411 N LEU A 121 14.339 -5.753 -11.166 1.00 21.00 N ATOM 412 CA LEU A 121 15.117 -5.962 -9.952 1.00 54.05 C ATOM 413 C LEU A 121 16.306 -6.868 -10.228 1.00 42.22 C ATOM 414 O LEU A 121 17.426 -6.597 -9.793 1.00 43.13 O ATOM 415 CB LEU A 121 14.242 -6.575 -8.858 1.00 15.21 C ATOM 416 CG LEU A 121 13.020 -5.747 -8.462 1.00 3.11 C ATOM 417 CD1 LEU A 121 12.197 -6.487 -7.427 1.00 52.24 C ATOM 418 CD2 LEU A 121 13.440 -4.388 -7.927 1.00 54.31 C ATOM 0 H LEU A 121 13.377 -6.087 -11.108 1.00 21.00 H new ATOM 0 HA LEU A 121 15.485 -4.994 -9.612 1.00 54.05 H new ATOM 0 HB2 LEU A 121 13.904 -7.556 -9.193 1.00 15.21 H new ATOM 0 HB3 LEU A 121 14.855 -6.735 -7.971 1.00 15.21 H new ATOM 0 HG LEU A 121 12.409 -5.591 -9.351 1.00 3.11 H new ATOM 0 HD11 LEU A 121 11.330 -5.886 -7.154 1.00 52.24 H new ATOM 0 HD12 LEU A 121 11.863 -7.439 -7.840 1.00 52.24 H new ATOM 0 HD13 LEU A 121 12.805 -6.670 -6.541 1.00 52.24 H new ATOM 0 HD21 LEU A 121 12.554 -3.816 -7.651 1.00 54.31 H new ATOM 0 HD22 LEU A 121 14.073 -4.522 -7.050 1.00 54.31 H new ATOM 0 HD23 LEU A 121 13.995 -3.850 -8.696 1.00 54.31 H new ATOM 430 N ARG A 122 16.054 -7.935 -10.970 1.00 44.14 N ATOM 431 CA ARG A 122 17.093 -8.887 -11.312 1.00 65.02 C ATOM 432 C ARG A 122 18.211 -8.211 -12.097 1.00 40.13 C ATOM 433 O ARG A 122 19.378 -8.430 -11.812 1.00 51.24 O ATOM 434 CB ARG A 122 16.496 -10.062 -12.096 1.00 31.41 C ATOM 435 CG ARG A 122 17.534 -10.949 -12.771 1.00 21.14 C ATOM 436 CD ARG A 122 17.444 -12.387 -12.286 1.00 24.42 C ATOM 437 NE ARG A 122 16.122 -12.966 -12.519 1.00 34.43 N ATOM 438 CZ ARG A 122 15.807 -14.240 -12.278 1.00 41.25 C ATOM 439 NH1 ARG A 122 16.718 -15.080 -11.795 1.00 22.23 N ATOM 440 NH2 ARG A 122 14.580 -14.676 -12.529 1.00 34.43 N ATOM 0 H ARG A 122 15.134 -8.162 -11.347 1.00 44.14 H new ATOM 0 HA ARG A 122 17.527 -9.276 -10.391 1.00 65.02 H new ATOM 0 HB2 ARG A 122 15.898 -10.671 -11.418 1.00 31.41 H new ATOM 0 HB3 ARG A 122 15.818 -9.672 -12.855 1.00 31.41 H new ATOM 0 HG2 ARG A 122 17.391 -10.919 -13.851 1.00 21.14 H new ATOM 0 HG3 ARG A 122 18.532 -10.559 -12.571 1.00 21.14 H new ATOM 0 HD2 ARG A 122 18.197 -12.988 -12.795 1.00 24.42 H new ATOM 0 HD3 ARG A 122 17.673 -12.425 -11.221 1.00 24.42 H new ATOM 0 HE ARG A 122 15.393 -12.356 -12.890 1.00 34.43 H new ATOM 0 HH11 ARG A 122 17.665 -14.752 -11.606 1.00 22.23 H new ATOM 0 HH12 ARG A 122 16.470 -16.052 -11.613 1.00 22.23 H new ATOM 0 HH21 ARG A 122 13.879 -14.038 -12.906 1.00 34.43 H new ATOM 0 HH22 ARG A 122 14.337 -15.650 -12.345 1.00 34.43 H new ATOM 454 N ASP A 123 17.844 -7.353 -13.044 1.00 75.43 N ATOM 455 CA ASP A 123 18.819 -6.657 -13.888 1.00 63.30 C ATOM 456 C ASP A 123 19.797 -5.838 -13.051 1.00 13.21 C ATOM 457 O ASP A 123 20.970 -5.690 -13.400 1.00 72.11 O ATOM 458 CB ASP A 123 18.092 -5.730 -14.866 1.00 33.31 C ATOM 459 CG ASP A 123 19.030 -5.043 -15.833 1.00 41.02 C ATOM 460 OD1 ASP A 123 19.409 -5.673 -16.843 1.00 61.13 O ATOM 461 OD2 ASP A 123 19.378 -3.865 -15.603 1.00 54.13 O ATOM 0 H ASP A 123 16.873 -7.120 -13.250 1.00 75.43 H new ATOM 0 HA ASP A 123 19.383 -7.411 -14.437 1.00 63.30 H new ATOM 0 HB2 ASP A 123 17.358 -6.307 -15.428 1.00 33.31 H new ATOM 0 HB3 ASP A 123 17.542 -4.976 -14.303 1.00 33.31 H new ATOM 466 N TYR A 124 19.306 -5.320 -11.940 1.00 25.21 N ATOM 467 CA TYR A 124 20.104 -4.472 -11.071 1.00 44.42 C ATOM 468 C TYR A 124 20.879 -5.293 -10.036 1.00 64.11 C ATOM 469 O TYR A 124 22.062 -5.056 -9.808 1.00 52.54 O ATOM 470 CB TYR A 124 19.190 -3.451 -10.387 1.00 40.12 C ATOM 471 CG TYR A 124 19.868 -2.580 -9.351 1.00 42.03 C ATOM 472 CD1 TYR A 124 19.442 -2.598 -8.033 1.00 54.20 C ATOM 473 CD2 TYR A 124 20.921 -1.736 -9.689 1.00 43.04 C ATOM 474 CE1 TYR A 124 20.040 -1.803 -7.078 1.00 32.11 C ATOM 475 CE2 TYR A 124 21.529 -0.938 -8.736 1.00 5.11 C ATOM 476 CZ TYR A 124 21.081 -0.976 -7.431 1.00 22.24 C ATOM 477 OH TYR A 124 21.673 -0.180 -6.475 1.00 10.21 O ATOM 0 H TYR A 124 18.351 -5.473 -11.616 1.00 25.21 H new ATOM 0 HA TYR A 124 20.844 -3.948 -11.677 1.00 44.42 H new ATOM 0 HB2 TYR A 124 18.753 -2.808 -11.151 1.00 40.12 H new ATOM 0 HB3 TYR A 124 18.368 -3.984 -9.910 1.00 40.12 H new ATOM 0 HD1 TYR A 124 18.627 -3.246 -7.748 1.00 54.20 H new ATOM 0 HD2 TYR A 124 21.269 -1.703 -10.711 1.00 43.04 H new ATOM 0 HE1 TYR A 124 19.692 -1.830 -6.056 1.00 32.11 H new ATOM 0 HE2 TYR A 124 22.348 -0.290 -9.011 1.00 5.11 H new ATOM 0 HH TYR A 124 21.511 -0.561 -5.587 1.00 10.21 H new ATOM 487 N PHE A 125 20.229 -6.275 -9.435 1.00 73.21 N ATOM 488 CA PHE A 125 20.842 -7.018 -8.338 1.00 23.44 C ATOM 489 C PHE A 125 21.750 -8.147 -8.828 1.00 71.34 C ATOM 490 O PHE A 125 22.562 -8.667 -8.064 1.00 61.42 O ATOM 491 CB PHE A 125 19.761 -7.558 -7.401 1.00 34.11 C ATOM 492 CG PHE A 125 19.054 -6.478 -6.631 1.00 70.02 C ATOM 493 CD1 PHE A 125 17.682 -6.319 -6.725 1.00 23.53 C ATOM 494 CD2 PHE A 125 19.770 -5.611 -5.822 1.00 35.33 C ATOM 495 CE1 PHE A 125 17.036 -5.316 -6.024 1.00 53.55 C ATOM 496 CE2 PHE A 125 19.131 -4.609 -5.118 1.00 53.14 C ATOM 497 CZ PHE A 125 17.763 -4.460 -5.219 1.00 22.45 C ATOM 0 H PHE A 125 19.287 -6.577 -9.682 1.00 73.21 H new ATOM 0 HA PHE A 125 21.478 -6.323 -7.790 1.00 23.44 H new ATOM 0 HB2 PHE A 125 19.030 -8.118 -7.984 1.00 34.11 H new ATOM 0 HB3 PHE A 125 20.214 -8.259 -6.700 1.00 34.11 H new ATOM 0 HD1 PHE A 125 17.109 -6.986 -7.353 1.00 23.53 H new ATOM 0 HD2 PHE A 125 20.841 -5.720 -5.741 1.00 35.33 H new ATOM 0 HE1 PHE A 125 15.965 -5.202 -6.106 1.00 53.55 H new ATOM 0 HE2 PHE A 125 19.702 -3.942 -4.489 1.00 53.14 H new ATOM 0 HZ PHE A 125 17.262 -3.676 -4.670 1.00 22.45 H new ATOM 507 N GLU A 126 21.635 -8.510 -10.103 1.00 34.23 N ATOM 508 CA GLU A 126 22.462 -9.578 -10.668 1.00 45.51 C ATOM 509 C GLU A 126 23.930 -9.166 -10.741 1.00 11.21 C ATOM 510 O GLU A 126 24.823 -10.008 -10.851 1.00 13.23 O ATOM 511 CB GLU A 126 21.949 -9.969 -12.056 1.00 13.41 C ATOM 512 CG GLU A 126 21.979 -8.842 -13.079 1.00 24.44 C ATOM 513 CD GLU A 126 23.179 -8.918 -13.993 1.00 42.51 C ATOM 514 OE1 GLU A 126 24.040 -8.022 -13.930 1.00 14.11 O ATOM 515 OE2 GLU A 126 23.265 -9.882 -14.781 1.00 35.34 O ATOM 0 H GLU A 126 20.983 -8.085 -10.762 1.00 34.23 H new ATOM 0 HA GLU A 126 22.390 -10.442 -10.007 1.00 45.51 H new ATOM 0 HB2 GLU A 126 22.548 -10.799 -12.431 1.00 13.41 H new ATOM 0 HB3 GLU A 126 20.925 -10.331 -11.963 1.00 13.41 H new ATOM 0 HG2 GLU A 126 21.069 -8.875 -13.677 1.00 24.44 H new ATOM 0 HG3 GLU A 126 21.983 -7.884 -12.559 1.00 24.44 H new ATOM 522 N GLN A 127 24.168 -7.865 -10.688 1.00 41.22 N ATOM 523 CA GLN A 127 25.524 -7.325 -10.688 1.00 14.53 C ATOM 524 C GLN A 127 26.225 -7.649 -9.377 1.00 70.25 C ATOM 525 O GLN A 127 27.452 -7.701 -9.306 1.00 35.43 O ATOM 526 CB GLN A 127 25.489 -5.812 -10.871 1.00 15.24 C ATOM 527 CG GLN A 127 24.643 -5.359 -12.042 1.00 55.14 C ATOM 528 CD GLN A 127 24.459 -3.863 -12.059 1.00 3.51 C ATOM 529 OE1 GLN A 127 25.216 -3.134 -12.697 1.00 51.41 O ATOM 530 NE2 GLN A 127 23.468 -3.396 -11.324 1.00 23.24 N ATOM 0 H GLN A 127 23.436 -7.156 -10.644 1.00 41.22 H new ATOM 0 HA GLN A 127 26.071 -7.781 -11.513 1.00 14.53 H new ATOM 0 HB2 GLN A 127 25.106 -5.354 -9.959 1.00 15.24 H new ATOM 0 HB3 GLN A 127 26.507 -5.448 -11.008 1.00 15.24 H new ATOM 0 HG2 GLN A 127 25.112 -5.677 -12.973 1.00 55.14 H new ATOM 0 HG3 GLN A 127 23.668 -5.844 -11.994 1.00 55.14 H new ATOM 0 HE21 GLN A 127 22.865 -4.040 -10.812 1.00 23.24 H new ATOM 0 HE22 GLN A 127 23.304 -2.391 -11.268 1.00 23.24 H new ATOM 539 N TYR A 128 25.435 -7.851 -8.333 1.00 62.12 N ATOM 540 CA TYR A 128 25.973 -8.143 -7.016 1.00 12.42 C ATOM 541 C TYR A 128 26.218 -9.639 -6.863 1.00 64.42 C ATOM 542 O TYR A 128 27.144 -10.060 -6.167 1.00 42.44 O ATOM 543 CB TYR A 128 25.019 -7.652 -5.930 1.00 15.42 C ATOM 544 CG TYR A 128 24.775 -6.159 -5.956 1.00 31.14 C ATOM 545 CD1 TYR A 128 25.476 -5.319 -5.109 1.00 31.52 C ATOM 546 CD2 TYR A 128 23.838 -5.594 -6.815 1.00 70.30 C ATOM 547 CE1 TYR A 128 25.259 -3.956 -5.109 1.00 5.11 C ATOM 548 CE2 TYR A 128 23.614 -4.229 -6.828 1.00 33.25 C ATOM 549 CZ TYR A 128 24.328 -3.415 -5.972 1.00 14.12 C ATOM 550 OH TYR A 128 24.101 -2.056 -5.973 1.00 51.05 O ATOM 0 H TYR A 128 24.416 -7.818 -8.374 1.00 62.12 H new ATOM 0 HA TYR A 128 26.923 -7.620 -6.908 1.00 12.42 H new ATOM 0 HB2 TYR A 128 24.065 -8.168 -6.038 1.00 15.42 H new ATOM 0 HB3 TYR A 128 25.422 -7.927 -4.955 1.00 15.42 H new ATOM 0 HD1 TYR A 128 26.208 -5.738 -4.434 1.00 31.52 H new ATOM 0 HD2 TYR A 128 23.277 -6.231 -7.482 1.00 70.30 H new ATOM 0 HE1 TYR A 128 25.814 -3.317 -4.438 1.00 5.11 H new ATOM 0 HE2 TYR A 128 22.886 -3.803 -7.503 1.00 33.25 H new ATOM 0 HH TYR A 128 23.200 -1.875 -6.312 1.00 51.05 H new ATOM 560 N GLY A 129 25.387 -10.432 -7.519 1.00 53.51 N ATOM 561 CA GLY A 129 25.535 -11.870 -7.478 1.00 44.11 C ATOM 562 C GLY A 129 24.487 -12.548 -8.322 1.00 34.54 C ATOM 563 O GLY A 129 23.643 -11.875 -8.915 1.00 53.45 O ATOM 0 H GLY A 129 24.605 -10.101 -8.084 1.00 53.51 H new ATOM 0 HA2 GLY A 129 26.528 -12.147 -7.834 1.00 44.11 H new ATOM 0 HA3 GLY A 129 25.457 -12.217 -6.448 1.00 44.11 H new ATOM 567 N LYS A 130 24.521 -13.869 -8.385 1.00 51.31 N ATOM 568 CA LYS A 130 23.557 -14.589 -9.192 1.00 22.50 C ATOM 569 C LYS A 130 22.228 -14.677 -8.454 1.00 74.34 C ATOM 570 O LYS A 130 22.166 -15.014 -7.265 1.00 2.01 O ATOM 571 CB LYS A 130 24.060 -15.984 -9.571 1.00 31.52 C ATOM 572 CG LYS A 130 24.083 -16.967 -8.419 1.00 2.51 C ATOM 573 CD LYS A 130 24.388 -18.376 -8.897 1.00 1.40 C ATOM 574 CE LYS A 130 23.309 -18.881 -9.845 1.00 5.55 C ATOM 575 NZ LYS A 130 23.595 -20.250 -10.345 1.00 62.44 N ATOM 0 H LYS A 130 25.196 -14.455 -7.894 1.00 51.31 H new ATOM 0 HA LYS A 130 23.415 -14.037 -10.121 1.00 22.50 H new ATOM 0 HB2 LYS A 130 23.427 -16.384 -10.363 1.00 31.52 H new ATOM 0 HB3 LYS A 130 25.066 -15.897 -9.980 1.00 31.52 H new ATOM 0 HG2 LYS A 130 24.833 -16.658 -7.691 1.00 2.51 H new ATOM 0 HG3 LYS A 130 23.120 -16.955 -7.909 1.00 2.51 H new ATOM 0 HD2 LYS A 130 25.354 -18.391 -9.401 1.00 1.40 H new ATOM 0 HD3 LYS A 130 24.465 -19.045 -8.040 1.00 1.40 H new ATOM 0 HE2 LYS A 130 22.347 -18.877 -9.332 1.00 5.55 H new ATOM 0 HE3 LYS A 130 23.222 -18.198 -10.690 1.00 5.55 H new ATOM 0 HZ1 LYS A 130 22.834 -20.551 -10.986 1.00 62.44 H new ATOM 0 HZ2 LYS A 130 24.500 -20.250 -10.857 1.00 62.44 H new ATOM 0 HZ3 LYS A 130 23.652 -20.908 -9.542 1.00 62.44 H new ATOM 589 N ILE A 131 21.171 -14.353 -9.161 1.00 22.01 N ATOM 590 CA ILE A 131 19.848 -14.307 -8.578 1.00 50.42 C ATOM 591 C ILE A 131 19.075 -15.579 -8.882 1.00 73.25 C ATOM 592 O ILE A 131 19.111 -16.089 -10.001 1.00 5.34 O ATOM 593 CB ILE A 131 19.058 -13.095 -9.101 1.00 75.32 C ATOM 594 CG1 ILE A 131 19.835 -11.807 -8.833 1.00 51.21 C ATOM 595 CG2 ILE A 131 17.684 -13.033 -8.456 1.00 20.53 C ATOM 596 CD1 ILE A 131 19.116 -10.564 -9.295 1.00 15.32 C ATOM 0 H ILE A 131 21.202 -14.115 -10.152 1.00 22.01 H new ATOM 0 HA ILE A 131 19.971 -14.214 -7.499 1.00 50.42 H new ATOM 0 HB ILE A 131 18.923 -13.205 -10.177 1.00 75.32 H new ATOM 0 HG12 ILE A 131 20.033 -11.727 -7.764 1.00 51.21 H new ATOM 0 HG13 ILE A 131 20.802 -11.865 -9.332 1.00 51.21 H new ATOM 0 HG21 ILE A 131 17.141 -12.169 -8.839 1.00 20.53 H new ATOM 0 HG22 ILE A 131 17.131 -13.942 -8.690 1.00 20.53 H new ATOM 0 HG23 ILE A 131 17.793 -12.943 -7.375 1.00 20.53 H new ATOM 0 HD11 ILE A 131 19.725 -9.688 -9.073 1.00 15.32 H new ATOM 0 HD12 ILE A 131 18.942 -10.622 -10.369 1.00 15.32 H new ATOM 0 HD13 ILE A 131 18.161 -10.482 -8.777 1.00 15.32 H new ATOM 608 N GLU A 132 18.385 -16.086 -7.878 1.00 1.42 N ATOM 609 CA GLU A 132 17.568 -17.274 -8.031 1.00 15.35 C ATOM 610 C GLU A 132 16.216 -16.925 -8.647 1.00 42.40 C ATOM 611 O GLU A 132 15.955 -17.239 -9.808 1.00 61.12 O ATOM 612 CB GLU A 132 17.398 -17.959 -6.676 1.00 13.40 C ATOM 613 CG GLU A 132 18.635 -18.729 -6.257 1.00 23.32 C ATOM 614 CD GLU A 132 18.820 -19.995 -7.063 1.00 63.35 C ATOM 615 OE1 GLU A 132 18.548 -21.090 -6.528 1.00 52.02 O ATOM 616 OE2 GLU A 132 19.221 -19.901 -8.243 1.00 41.41 O ATOM 0 H GLU A 132 18.375 -15.688 -6.939 1.00 1.42 H new ATOM 0 HA GLU A 132 18.068 -17.965 -8.710 1.00 15.35 H new ATOM 0 HB2 GLU A 132 17.167 -17.209 -5.920 1.00 13.40 H new ATOM 0 HB3 GLU A 132 16.548 -18.640 -6.720 1.00 13.40 H new ATOM 0 HG2 GLU A 132 19.513 -18.094 -6.374 1.00 23.32 H new ATOM 0 HG3 GLU A 132 18.563 -18.981 -5.199 1.00 23.32 H new ATOM 623 N VAL A 133 15.372 -16.246 -7.879 1.00 25.52 N ATOM 624 CA VAL A 133 14.046 -15.849 -8.348 1.00 24.21 C ATOM 625 C VAL A 133 13.671 -14.476 -7.805 1.00 31.15 C ATOM 626 O VAL A 133 14.244 -14.012 -6.818 1.00 1.24 O ATOM 627 CB VAL A 133 12.947 -16.859 -7.936 1.00 1.44 C ATOM 628 CG1 VAL A 133 13.095 -18.168 -8.694 1.00 12.41 C ATOM 629 CG2 VAL A 133 12.973 -17.107 -6.435 1.00 61.44 C ATOM 0 H VAL A 133 15.582 -15.957 -6.924 1.00 25.52 H new ATOM 0 HA VAL A 133 14.102 -15.823 -9.436 1.00 24.21 H new ATOM 0 HB VAL A 133 11.982 -16.424 -8.196 1.00 1.44 H new ATOM 0 HG11 VAL A 133 12.310 -18.858 -8.385 1.00 12.41 H new ATOM 0 HG12 VAL A 133 13.012 -17.980 -9.764 1.00 12.41 H new ATOM 0 HG13 VAL A 133 14.069 -18.606 -8.477 1.00 12.41 H new ATOM 0 HG21 VAL A 133 12.192 -17.820 -6.170 1.00 61.44 H new ATOM 0 HG22 VAL A 133 13.944 -17.511 -6.150 1.00 61.44 H new ATOM 0 HG23 VAL A 133 12.801 -16.168 -5.908 1.00 61.44 H new ATOM 639 N ILE A 134 12.720 -13.826 -8.459 1.00 30.40 N ATOM 640 CA ILE A 134 12.220 -12.540 -8.000 1.00 44.44 C ATOM 641 C ILE A 134 10.748 -12.657 -7.646 1.00 4.31 C ATOM 642 O ILE A 134 9.900 -12.826 -8.521 1.00 24.20 O ATOM 643 CB ILE A 134 12.391 -11.438 -9.060 1.00 22.34 C ATOM 644 CG1 ILE A 134 13.811 -11.448 -9.631 1.00 33.14 C ATOM 645 CG2 ILE A 134 12.082 -10.071 -8.464 1.00 22.53 C ATOM 646 CD1 ILE A 134 14.868 -11.057 -8.634 1.00 44.23 C ATOM 0 H ILE A 134 12.278 -14.170 -9.312 1.00 30.40 H new ATOM 0 HA ILE A 134 12.805 -12.261 -7.123 1.00 44.44 H new ATOM 0 HB ILE A 134 11.689 -11.638 -9.869 1.00 22.34 H new ATOM 0 HG12 ILE A 134 14.033 -12.445 -10.010 1.00 33.14 H new ATOM 0 HG13 ILE A 134 13.856 -10.767 -10.481 1.00 33.14 H new ATOM 0 HG21 ILE A 134 12.208 -9.304 -9.228 1.00 22.53 H new ATOM 0 HG22 ILE A 134 11.054 -10.056 -8.101 1.00 22.53 H new ATOM 0 HG23 ILE A 134 12.762 -9.873 -7.635 1.00 22.53 H new ATOM 0 HD11 ILE A 134 15.847 -11.087 -9.111 1.00 44.23 H new ATOM 0 HD12 ILE A 134 14.672 -10.048 -8.273 1.00 44.23 H new ATOM 0 HD13 ILE A 134 14.852 -11.752 -7.795 1.00 44.23 H new ATOM 658 N GLU A 135 10.455 -12.590 -6.361 1.00 54.21 N ATOM 659 CA GLU A 135 9.088 -12.670 -5.887 1.00 51.24 C ATOM 660 C GLU A 135 8.459 -11.285 -5.937 1.00 45.41 C ATOM 661 O GLU A 135 8.647 -10.485 -5.024 1.00 21.32 O ATOM 662 CB GLU A 135 9.053 -13.207 -4.451 1.00 10.32 C ATOM 663 CG GLU A 135 9.890 -14.462 -4.236 1.00 34.43 C ATOM 664 CD GLU A 135 9.293 -15.697 -4.879 1.00 12.23 C ATOM 665 OE1 GLU A 135 8.753 -16.553 -4.142 1.00 62.15 O ATOM 666 OE2 GLU A 135 9.364 -15.828 -6.118 1.00 61.35 O ATOM 0 H GLU A 135 11.151 -12.480 -5.623 1.00 54.21 H new ATOM 0 HA GLU A 135 8.526 -13.351 -6.526 1.00 51.24 H new ATOM 0 HB2 GLU A 135 9.405 -12.428 -3.775 1.00 10.32 H new ATOM 0 HB3 GLU A 135 8.019 -13.422 -4.180 1.00 10.32 H new ATOM 0 HG2 GLU A 135 10.889 -14.298 -4.639 1.00 34.43 H new ATOM 0 HG3 GLU A 135 10.003 -14.636 -3.166 1.00 34.43 H new ATOM 673 N ILE A 136 7.740 -10.990 -7.013 1.00 50.41 N ATOM 674 CA ILE A 136 7.157 -9.664 -7.189 1.00 12.54 C ATOM 675 C ILE A 136 5.972 -9.470 -6.248 1.00 34.21 C ATOM 676 O ILE A 136 5.513 -8.348 -6.024 1.00 21.01 O ATOM 677 CB ILE A 136 6.695 -9.427 -8.642 1.00 22.25 C ATOM 678 CG1 ILE A 136 7.763 -9.896 -9.633 1.00 43.32 C ATOM 679 CG2 ILE A 136 6.399 -7.950 -8.852 1.00 61.34 C ATOM 680 CD1 ILE A 136 7.301 -9.869 -11.074 1.00 44.30 C ATOM 0 H ILE A 136 7.547 -11.644 -7.771 1.00 50.41 H new ATOM 0 HA ILE A 136 7.937 -8.940 -6.954 1.00 12.54 H new ATOM 0 HB ILE A 136 5.788 -10.005 -8.819 1.00 22.25 H new ATOM 0 HG12 ILE A 136 8.645 -9.264 -9.530 1.00 43.32 H new ATOM 0 HG13 ILE A 136 8.066 -10.911 -9.376 1.00 43.32 H new ATOM 0 HG21 ILE A 136 6.073 -7.787 -9.879 1.00 61.34 H new ATOM 0 HG22 ILE A 136 5.611 -7.636 -8.167 1.00 61.34 H new ATOM 0 HG23 ILE A 136 7.300 -7.367 -8.660 1.00 61.34 H new ATOM 0 HD11 ILE A 136 8.108 -10.214 -11.721 1.00 44.30 H new ATOM 0 HD12 ILE A 136 6.437 -10.523 -11.191 1.00 44.30 H new ATOM 0 HD13 ILE A 136 7.025 -8.851 -11.349 1.00 44.30 H new ATOM 692 N MET A 137 5.483 -10.581 -5.709 1.00 51.43 N ATOM 693 CA MET A 137 4.381 -10.572 -4.762 1.00 45.25 C ATOM 694 C MET A 137 3.123 -9.979 -5.396 1.00 12.42 C ATOM 695 O MET A 137 2.706 -8.854 -5.097 1.00 3.10 O ATOM 696 CB MET A 137 4.784 -9.839 -3.476 1.00 31.43 C ATOM 697 CG MET A 137 3.686 -9.756 -2.430 1.00 11.52 C ATOM 698 SD MET A 137 2.732 -11.281 -2.262 1.00 52.44 S ATOM 699 CE MET A 137 4.012 -12.485 -1.907 1.00 23.55 C ATOM 0 H MET A 137 5.842 -11.513 -5.918 1.00 51.43 H new ATOM 0 HA MET A 137 4.144 -11.600 -4.489 1.00 45.25 H new ATOM 0 HB2 MET A 137 5.647 -10.343 -3.040 1.00 31.43 H new ATOM 0 HB3 MET A 137 5.101 -8.828 -3.733 1.00 31.43 H new ATOM 0 HG2 MET A 137 4.131 -9.508 -1.467 1.00 11.52 H new ATOM 0 HG3 MET A 137 3.010 -8.941 -2.688 1.00 11.52 H new ATOM 0 HE1 MET A 137 3.670 -13.159 -1.122 1.00 23.55 H new ATOM 0 HE2 MET A 137 4.232 -13.059 -2.807 1.00 23.55 H new ATOM 0 HE3 MET A 137 4.914 -11.970 -1.576 1.00 23.55 H new ATOM 859 N PHE A 148 5.702 -4.175 -3.509 1.00 74.30 N ATOM 860 CA PHE A 148 6.953 -4.577 -2.893 1.00 32.50 C ATOM 861 C PHE A 148 7.331 -5.968 -3.376 1.00 64.24 C ATOM 862 O PHE A 148 6.461 -6.810 -3.595 1.00 23.12 O ATOM 863 CB PHE A 148 6.877 -4.520 -1.355 1.00 71.20 C ATOM 864 CG PHE A 148 5.798 -5.367 -0.731 1.00 45.14 C ATOM 865 CD1 PHE A 148 5.982 -6.730 -0.550 1.00 43.45 C ATOM 866 CD2 PHE A 148 4.607 -4.796 -0.308 1.00 14.43 C ATOM 867 CE1 PHE A 148 5.002 -7.506 0.037 1.00 43.50 C ATOM 868 CE2 PHE A 148 3.621 -5.570 0.278 1.00 70.52 C ATOM 869 CZ PHE A 148 3.820 -6.927 0.450 1.00 21.31 C ATOM 0 HA PHE A 148 7.729 -3.873 -3.193 1.00 32.50 H new ATOM 0 HB2 PHE A 148 7.840 -4.830 -0.949 1.00 71.20 H new ATOM 0 HB3 PHE A 148 6.722 -3.484 -1.054 1.00 71.20 H new ATOM 0 HD1 PHE A 148 6.904 -7.191 -0.873 1.00 43.45 H new ATOM 0 HD2 PHE A 148 4.447 -3.736 -0.437 1.00 14.43 H new ATOM 0 HE1 PHE A 148 5.161 -8.566 0.173 1.00 43.50 H new ATOM 0 HE2 PHE A 148 2.697 -5.114 0.601 1.00 70.52 H new ATOM 0 HZ PHE A 148 3.051 -7.533 0.907 1.00 21.31 H new ATOM 879 N ALA A 149 8.619 -6.197 -3.563 1.00 11.24 N ATOM 880 CA ALA A 149 9.087 -7.455 -4.117 1.00 13.00 C ATOM 881 C ALA A 149 10.250 -8.016 -3.306 1.00 62.34 C ATOM 882 O ALA A 149 10.939 -7.284 -2.593 1.00 42.12 O ATOM 883 CB ALA A 149 9.493 -7.267 -5.569 1.00 41.41 C ATOM 0 H ALA A 149 9.358 -5.530 -3.340 1.00 11.24 H new ATOM 0 HA ALA A 149 8.269 -8.174 -4.068 1.00 13.00 H new ATOM 0 HB1 ALA A 149 9.842 -8.216 -5.975 1.00 41.41 H new ATOM 0 HB2 ALA A 149 8.635 -6.920 -6.145 1.00 41.41 H new ATOM 0 HB3 ALA A 149 10.293 -6.530 -5.630 1.00 41.41 H new ATOM 889 N PHE A 150 10.462 -9.317 -3.423 1.00 53.31 N ATOM 890 CA PHE A 150 11.531 -9.994 -2.706 1.00 2.21 C ATOM 891 C PHE A 150 12.490 -10.636 -3.698 1.00 32.42 C ATOM 892 O PHE A 150 12.085 -11.449 -4.525 1.00 2.21 O ATOM 893 CB PHE A 150 10.961 -11.068 -1.779 1.00 63.13 C ATOM 894 CG PHE A 150 9.814 -10.602 -0.930 1.00 3.51 C ATOM 895 CD1 PHE A 150 8.507 -10.862 -1.312 1.00 24.10 C ATOM 896 CD2 PHE A 150 10.038 -9.907 0.248 1.00 70.25 C ATOM 897 CE1 PHE A 150 7.447 -10.437 -0.538 1.00 2.24 C ATOM 898 CE2 PHE A 150 8.980 -9.480 1.026 1.00 73.14 C ATOM 899 CZ PHE A 150 7.683 -9.745 0.633 1.00 2.34 C ATOM 0 H PHE A 150 9.901 -9.931 -4.014 1.00 53.31 H new ATOM 0 HA PHE A 150 12.065 -9.258 -2.104 1.00 2.21 H new ATOM 0 HB2 PHE A 150 10.632 -11.915 -2.381 1.00 63.13 H new ATOM 0 HB3 PHE A 150 11.757 -11.430 -1.128 1.00 63.13 H new ATOM 0 HD1 PHE A 150 8.316 -11.404 -2.227 1.00 24.10 H new ATOM 0 HD2 PHE A 150 11.050 -9.697 0.561 1.00 70.25 H new ATOM 0 HE1 PHE A 150 6.434 -10.645 -0.848 1.00 2.24 H new ATOM 0 HE2 PHE A 150 9.167 -8.939 1.942 1.00 73.14 H new ATOM 0 HZ PHE A 150 6.855 -9.412 1.241 1.00 2.34 H new ATOM 909 N VAL A 151 13.756 -10.275 -3.618 1.00 24.45 N ATOM 910 CA VAL A 151 14.751 -10.798 -4.545 1.00 23.00 C ATOM 911 C VAL A 151 15.542 -11.931 -3.899 1.00 2.04 C ATOM 912 O VAL A 151 16.323 -11.702 -2.975 1.00 43.21 O ATOM 913 CB VAL A 151 15.715 -9.688 -5.013 1.00 61.32 C ATOM 914 CG1 VAL A 151 16.729 -10.232 -6.006 1.00 25.11 C ATOM 915 CG2 VAL A 151 14.936 -8.535 -5.624 1.00 3.35 C ATOM 0 H VAL A 151 14.123 -9.624 -2.924 1.00 24.45 H new ATOM 0 HA VAL A 151 14.221 -11.184 -5.416 1.00 23.00 H new ATOM 0 HB VAL A 151 16.259 -9.319 -4.143 1.00 61.32 H new ATOM 0 HG11 VAL A 151 17.397 -9.430 -6.320 1.00 25.11 H new ATOM 0 HG12 VAL A 151 17.310 -11.025 -5.535 1.00 25.11 H new ATOM 0 HG13 VAL A 151 16.208 -10.632 -6.876 1.00 25.11 H new ATOM 0 HG21 VAL A 151 15.629 -7.760 -5.950 1.00 3.35 H new ATOM 0 HG22 VAL A 151 14.366 -8.895 -6.480 1.00 3.35 H new ATOM 0 HG23 VAL A 151 14.253 -8.123 -4.881 1.00 3.35 H new ATOM 925 N THR A 152 15.317 -13.149 -4.372 1.00 12.34 N ATOM 926 CA THR A 152 16.012 -14.315 -3.852 1.00 33.53 C ATOM 927 C THR A 152 17.318 -14.546 -4.600 1.00 64.43 C ATOM 928 O THR A 152 17.333 -14.635 -5.826 1.00 74.10 O ATOM 929 CB THR A 152 15.145 -15.582 -3.977 1.00 50.12 C ATOM 930 OG1 THR A 152 13.835 -15.334 -3.458 1.00 44.42 O ATOM 931 CG2 THR A 152 15.782 -16.749 -3.236 1.00 5.54 C ATOM 0 H THR A 152 14.654 -13.354 -5.120 1.00 12.34 H new ATOM 0 HA THR A 152 16.219 -14.120 -2.800 1.00 33.53 H new ATOM 0 HB THR A 152 15.070 -15.842 -5.033 1.00 50.12 H new ATOM 0 HG1 THR A 152 13.592 -16.046 -2.830 1.00 44.42 H new ATOM 0 HG21 THR A 152 15.152 -17.632 -3.338 1.00 5.54 H new ATOM 0 HG22 THR A 152 16.766 -16.954 -3.658 1.00 5.54 H new ATOM 0 HG23 THR A 152 15.885 -16.497 -2.181 1.00 5.54 H new ATOM 939 N PHE A 153 18.404 -14.653 -3.862 1.00 55.35 N ATOM 940 CA PHE A 153 19.704 -14.933 -4.442 1.00 2.31 C ATOM 941 C PHE A 153 20.122 -16.350 -4.090 1.00 64.44 C ATOM 942 O PHE A 153 19.669 -16.904 -3.088 1.00 63.14 O ATOM 943 CB PHE A 153 20.751 -13.946 -3.921 1.00 43.12 C ATOM 944 CG PHE A 153 20.458 -12.513 -4.249 1.00 63.04 C ATOM 945 CD1 PHE A 153 20.987 -11.928 -5.386 1.00 31.54 C ATOM 946 CD2 PHE A 153 19.662 -11.748 -3.413 1.00 61.42 C ATOM 947 CE1 PHE A 153 20.725 -10.607 -5.684 1.00 43.13 C ATOM 948 CE2 PHE A 153 19.397 -10.430 -3.708 1.00 1.25 C ATOM 949 CZ PHE A 153 19.928 -9.858 -4.843 1.00 63.45 C ATOM 0 H PHE A 153 18.412 -14.549 -2.847 1.00 55.35 H new ATOM 0 HA PHE A 153 19.633 -14.827 -5.525 1.00 2.31 H new ATOM 0 HB2 PHE A 153 20.827 -14.052 -2.839 1.00 43.12 H new ATOM 0 HB3 PHE A 153 21.723 -14.211 -4.337 1.00 43.12 H new ATOM 0 HD1 PHE A 153 21.611 -12.512 -6.047 1.00 31.54 H new ATOM 0 HD2 PHE A 153 19.245 -12.190 -2.520 1.00 61.42 H new ATOM 0 HE1 PHE A 153 21.143 -10.160 -6.574 1.00 43.13 H new ATOM 0 HE2 PHE A 153 18.773 -9.844 -3.050 1.00 1.25 H new ATOM 0 HZ PHE A 153 19.721 -8.824 -5.074 1.00 63.45 H new ATOM 959 N ASP A 154 20.969 -16.945 -4.917 1.00 34.21 N ATOM 960 CA ASP A 154 21.518 -18.262 -4.607 1.00 61.51 C ATOM 961 C ASP A 154 22.470 -18.135 -3.429 1.00 54.44 C ATOM 962 O ASP A 154 22.558 -19.015 -2.572 1.00 53.42 O ATOM 963 CB ASP A 154 22.266 -18.837 -5.818 1.00 21.12 C ATOM 964 CG ASP A 154 22.715 -20.277 -5.615 1.00 52.14 C ATOM 965 OD1 ASP A 154 22.241 -21.161 -6.357 1.00 52.24 O ATOM 966 OD2 ASP A 154 23.550 -20.540 -4.724 1.00 13.44 O ATOM 0 H ASP A 154 21.290 -16.545 -5.799 1.00 34.21 H new ATOM 0 HA ASP A 154 20.701 -18.939 -4.357 1.00 61.51 H new ATOM 0 HB2 ASP A 154 21.620 -18.784 -6.695 1.00 21.12 H new ATOM 0 HB3 ASP A 154 23.138 -18.217 -6.027 1.00 21.12 H new ATOM 971 N ASP A 155 23.134 -16.994 -3.379 1.00 74.52 N ATOM 972 CA ASP A 155 24.203 -16.753 -2.421 1.00 54.33 C ATOM 973 C ASP A 155 23.817 -15.689 -1.412 1.00 63.12 C ATOM 974 O ASP A 155 23.148 -14.714 -1.746 1.00 15.34 O ATOM 975 CB ASP A 155 25.479 -16.306 -3.143 1.00 53.33 C ATOM 976 CG ASP A 155 26.157 -17.425 -3.895 1.00 33.33 C ATOM 977 OD1 ASP A 155 26.072 -17.450 -5.140 1.00 44.12 O ATOM 978 OD2 ASP A 155 26.792 -18.281 -3.244 1.00 11.11 O ATOM 0 H ASP A 155 22.949 -16.207 -4.001 1.00 74.52 H new ATOM 0 HA ASP A 155 24.380 -17.691 -1.895 1.00 54.33 H new ATOM 0 HB2 ASP A 155 25.233 -15.505 -3.840 1.00 53.33 H new ATOM 0 HB3 ASP A 155 26.176 -15.892 -2.414 1.00 53.33 H new ATOM 983 N HIS A 156 24.263 -15.877 -0.180 1.00 71.22 N ATOM 984 CA HIS A 156 24.067 -14.882 0.865 1.00 22.35 C ATOM 985 C HIS A 156 25.221 -13.891 0.869 1.00 64.14 C ATOM 986 O HIS A 156 25.159 -12.844 1.508 1.00 52.43 O ATOM 987 CB HIS A 156 23.924 -15.538 2.245 1.00 2.02 C ATOM 988 CG HIS A 156 25.003 -16.525 2.589 1.00 42.23 C ATOM 989 ND1 HIS A 156 24.715 -17.851 2.802 1.00 60.42 N ATOM 990 CD2 HIS A 156 26.330 -16.329 2.767 1.00 10.35 C ATOM 991 CE1 HIS A 156 25.867 -18.427 3.105 1.00 41.04 C ATOM 992 NE2 HIS A 156 26.875 -17.543 3.095 1.00 31.02 N ATOM 0 H HIS A 156 24.765 -16.712 0.122 1.00 71.22 H new ATOM 0 HA HIS A 156 23.140 -14.350 0.652 1.00 22.35 H new ATOM 0 HB2 HIS A 156 23.912 -14.756 3.004 1.00 2.02 H new ATOM 0 HB3 HIS A 156 22.960 -16.044 2.293 1.00 2.02 H new ATOM 0 HD2 HIS A 156 26.860 -15.393 2.669 1.00 10.35 H new ATOM 0 HE1 HIS A 156 25.981 -19.477 3.332 1.00 41.04 H new ATOM 0 HE2 HIS A 156 27.857 -17.736 3.293 1.00 31.02 H new ATOM 1000 N ASP A 157 26.285 -14.228 0.154 1.00 24.32 N ATOM 1001 CA ASP A 157 27.407 -13.313 0.005 1.00 24.41 C ATOM 1002 C ASP A 157 27.000 -12.147 -0.881 1.00 10.11 C ATOM 1003 O ASP A 157 27.383 -11.002 -0.648 1.00 11.44 O ATOM 1004 CB ASP A 157 28.623 -14.025 -0.597 1.00 1.34 C ATOM 1005 CG ASP A 157 29.786 -13.077 -0.832 1.00 43.41 C ATOM 1006 OD1 ASP A 157 29.928 -12.568 -1.965 1.00 1.34 O ATOM 1007 OD2 ASP A 157 30.556 -12.826 0.118 1.00 74.52 O ATOM 0 H ASP A 157 26.395 -15.120 -0.328 1.00 24.32 H new ATOM 0 HA ASP A 157 27.684 -12.944 0.993 1.00 24.41 H new ATOM 0 HB2 ASP A 157 28.939 -14.827 0.070 1.00 1.34 H new ATOM 0 HB3 ASP A 157 28.339 -14.490 -1.541 1.00 1.34 H new ATOM 1012 N SER A 158 26.184 -12.454 -1.877 1.00 14.34 N ATOM 1013 CA SER A 158 25.766 -11.478 -2.869 1.00 72.34 C ATOM 1014 C SER A 158 24.714 -10.519 -2.310 1.00 54.34 C ATOM 1015 O SER A 158 24.524 -9.424 -2.838 1.00 33.12 O ATOM 1016 CB SER A 158 25.231 -12.222 -4.090 1.00 55.44 C ATOM 1017 OG SER A 158 26.152 -13.225 -4.496 1.00 52.21 O ATOM 0 H SER A 158 25.794 -13.385 -2.020 1.00 14.34 H new ATOM 0 HA SER A 158 26.625 -10.870 -3.153 1.00 72.34 H new ATOM 0 HB2 SER A 158 24.268 -12.676 -3.855 1.00 55.44 H new ATOM 0 HB3 SER A 158 25.062 -11.521 -4.907 1.00 55.44 H new ATOM 0 HG SER A 158 26.898 -12.809 -4.976 1.00 52.21 H new ATOM 1023 N VAL A 159 24.050 -10.916 -1.229 1.00 12.33 N ATOM 1024 CA VAL A 159 23.019 -10.074 -0.630 1.00 43.20 C ATOM 1025 C VAL A 159 23.642 -9.008 0.266 1.00 31.15 C ATOM 1026 O VAL A 159 23.042 -7.962 0.510 1.00 4.31 O ATOM 1027 CB VAL A 159 22.001 -10.893 0.200 1.00 30.43 C ATOM 1028 CG1 VAL A 159 21.523 -12.111 -0.572 1.00 70.52 C ATOM 1029 CG2 VAL A 159 22.582 -11.296 1.544 1.00 24.20 C ATOM 0 H VAL A 159 24.204 -11.805 -0.754 1.00 12.33 H new ATOM 0 HA VAL A 159 22.489 -9.602 -1.457 1.00 43.20 H new ATOM 0 HB VAL A 159 21.139 -10.254 0.389 1.00 30.43 H new ATOM 0 HG11 VAL A 159 20.809 -12.669 0.034 1.00 70.52 H new ATOM 0 HG12 VAL A 159 21.042 -11.790 -1.496 1.00 70.52 H new ATOM 0 HG13 VAL A 159 22.374 -12.749 -0.808 1.00 70.52 H new ATOM 0 HG21 VAL A 159 21.843 -11.870 2.103 1.00 24.20 H new ATOM 0 HG22 VAL A 159 23.472 -11.906 1.388 1.00 24.20 H new ATOM 0 HG23 VAL A 159 22.849 -10.402 2.108 1.00 24.20 H new ATOM 1039 N ASP A 160 24.863 -9.265 0.728 1.00 23.44 N ATOM 1040 CA ASP A 160 25.507 -8.404 1.714 1.00 34.51 C ATOM 1041 C ASP A 160 25.848 -7.042 1.125 1.00 41.02 C ATOM 1042 O ASP A 160 25.655 -6.018 1.773 1.00 44.42 O ATOM 1043 CB ASP A 160 26.764 -9.069 2.272 1.00 55.33 C ATOM 1044 CG ASP A 160 27.511 -8.170 3.238 1.00 73.11 C ATOM 1045 OD1 ASP A 160 27.055 -8.016 4.390 1.00 70.12 O ATOM 1046 OD2 ASP A 160 28.562 -7.619 2.843 1.00 63.04 O ATOM 0 H ASP A 160 25.426 -10.063 0.435 1.00 23.44 H new ATOM 0 HA ASP A 160 24.800 -8.251 2.529 1.00 34.51 H new ATOM 0 HB2 ASP A 160 26.488 -9.994 2.779 1.00 55.33 H new ATOM 0 HB3 ASP A 160 27.424 -9.342 1.449 1.00 55.33 H new ATOM 1051 N LYS A 161 26.324 -7.034 -0.118 1.00 24.14 N ATOM 1052 CA LYS A 161 26.660 -5.787 -0.807 1.00 52.52 C ATOM 1053 C LYS A 161 25.413 -4.926 -0.978 1.00 41.04 C ATOM 1054 O LYS A 161 25.495 -3.719 -1.211 1.00 60.40 O ATOM 1055 CB LYS A 161 27.254 -6.059 -2.195 1.00 33.30 C ATOM 1056 CG LYS A 161 28.306 -7.159 -2.255 1.00 25.11 C ATOM 1057 CD LYS A 161 27.704 -8.498 -2.659 1.00 62.22 C ATOM 1058 CE LYS A 161 28.769 -9.514 -3.048 1.00 41.51 C ATOM 1059 NZ LYS A 161 29.745 -9.767 -1.955 1.00 62.34 N ATOM 0 H LYS A 161 26.486 -7.876 -0.670 1.00 24.14 H new ATOM 0 HA LYS A 161 27.398 -5.267 -0.196 1.00 52.52 H new ATOM 0 HB2 LYS A 161 26.442 -6.320 -2.874 1.00 33.30 H new ATOM 0 HB3 LYS A 161 27.697 -5.136 -2.568 1.00 33.30 H new ATOM 0 HG2 LYS A 161 29.083 -6.880 -2.967 1.00 25.11 H new ATOM 0 HG3 LYS A 161 28.786 -7.256 -1.281 1.00 25.11 H new ATOM 0 HD2 LYS A 161 27.113 -8.893 -1.833 1.00 62.22 H new ATOM 0 HD3 LYS A 161 27.022 -8.350 -3.497 1.00 62.22 H new ATOM 0 HE2 LYS A 161 28.287 -10.452 -3.324 1.00 41.51 H new ATOM 0 HE3 LYS A 161 29.301 -9.157 -3.930 1.00 41.51 H new ATOM 0 HZ1 LYS A 161 29.985 -10.779 -1.931 1.00 62.34 H new ATOM 0 HZ2 LYS A 161 30.607 -9.211 -2.124 1.00 62.34 H new ATOM 0 HZ3 LYS A 161 29.326 -9.489 -1.045 1.00 62.34 H new ATOM 1073 N ILE A 162 24.264 -5.565 -0.866 1.00 52.11 N ATOM 1074 CA ILE A 162 22.989 -4.912 -1.074 1.00 44.10 C ATOM 1075 C ILE A 162 22.397 -4.428 0.241 1.00 41.43 C ATOM 1076 O ILE A 162 22.111 -3.245 0.401 1.00 43.53 O ATOM 1077 CB ILE A 162 22.005 -5.882 -1.751 1.00 44.53 C ATOM 1078 CG1 ILE A 162 22.553 -6.305 -3.113 1.00 53.44 C ATOM 1079 CG2 ILE A 162 20.627 -5.253 -1.890 1.00 24.50 C ATOM 1080 CD1 ILE A 162 21.781 -7.433 -3.749 1.00 65.03 C ATOM 0 H ILE A 162 24.190 -6.554 -0.628 1.00 52.11 H new ATOM 0 HA ILE A 162 23.156 -4.048 -1.717 1.00 44.10 H new ATOM 0 HB ILE A 162 21.898 -6.767 -1.124 1.00 44.53 H new ATOM 0 HG12 ILE A 162 22.542 -5.445 -3.783 1.00 53.44 H new ATOM 0 HG13 ILE A 162 23.594 -6.607 -2.999 1.00 53.44 H new ATOM 0 HG21 ILE A 162 19.951 -5.960 -2.372 1.00 24.50 H new ATOM 0 HG22 ILE A 162 20.242 -4.998 -0.903 1.00 24.50 H new ATOM 0 HG23 ILE A 162 20.699 -4.350 -2.496 1.00 24.50 H new ATOM 0 HD11 ILE A 162 22.226 -7.680 -4.713 1.00 65.03 H new ATOM 0 HD12 ILE A 162 21.813 -8.308 -3.099 1.00 65.03 H new ATOM 0 HD13 ILE A 162 20.745 -7.128 -3.895 1.00 65.03 H new ATOM 1092 N VAL A 163 22.253 -5.347 1.188 1.00 61.10 N ATOM 1093 CA VAL A 163 21.566 -5.072 2.449 1.00 42.12 C ATOM 1094 C VAL A 163 22.313 -4.057 3.318 1.00 72.41 C ATOM 1095 O VAL A 163 21.753 -3.533 4.283 1.00 14.35 O ATOM 1096 CB VAL A 163 21.348 -6.367 3.255 1.00 22.45 C ATOM 1097 CG1 VAL A 163 20.419 -7.316 2.510 1.00 61.44 C ATOM 1098 CG2 VAL A 163 22.678 -7.042 3.550 1.00 34.43 C ATOM 0 H VAL A 163 22.606 -6.300 1.107 1.00 61.10 H new ATOM 0 HA VAL A 163 20.602 -4.640 2.179 1.00 42.12 H new ATOM 0 HB VAL A 163 20.878 -6.104 4.203 1.00 22.45 H new ATOM 0 HG11 VAL A 163 20.279 -8.224 3.097 1.00 61.44 H new ATOM 0 HG12 VAL A 163 19.455 -6.833 2.353 1.00 61.44 H new ATOM 0 HG13 VAL A 163 20.857 -7.572 1.545 1.00 61.44 H new ATOM 0 HG21 VAL A 163 22.504 -7.955 4.120 1.00 34.43 H new ATOM 0 HG22 VAL A 163 23.177 -7.289 2.613 1.00 34.43 H new ATOM 0 HG23 VAL A 163 23.308 -6.367 4.129 1.00 34.43 H new ATOM 1108 N ILE A 164 23.573 -3.795 2.994 1.00 44.00 N ATOM 1109 CA ILE A 164 24.346 -2.790 3.717 1.00 45.24 C ATOM 1110 C ILE A 164 23.872 -1.383 3.363 1.00 34.41 C ATOM 1111 O ILE A 164 23.965 -0.462 4.174 1.00 14.04 O ATOM 1112 CB ILE A 164 25.866 -2.924 3.457 1.00 0.53 C ATOM 1113 CG1 ILE A 164 26.178 -3.019 1.957 1.00 73.32 C ATOM 1114 CG2 ILE A 164 26.420 -4.136 4.190 1.00 5.10 C ATOM 1115 CD1 ILE A 164 26.388 -1.687 1.271 1.00 71.52 C ATOM 0 H ILE A 164 24.080 -4.260 2.241 1.00 44.00 H new ATOM 0 HA ILE A 164 24.178 -2.964 4.780 1.00 45.24 H new ATOM 0 HB ILE A 164 26.349 -2.024 3.838 1.00 0.53 H new ATOM 0 HG12 ILE A 164 27.073 -3.627 1.823 1.00 73.32 H new ATOM 0 HG13 ILE A 164 25.360 -3.543 1.462 1.00 73.32 H new ATOM 0 HG21 ILE A 164 27.490 -4.219 3.999 1.00 5.10 H new ATOM 0 HG22 ILE A 164 26.250 -4.023 5.261 1.00 5.10 H new ATOM 0 HG23 ILE A 164 25.917 -5.036 3.836 1.00 5.10 H new ATOM 0 HD11 ILE A 164 26.603 -1.851 0.215 1.00 71.52 H new ATOM 0 HD12 ILE A 164 25.487 -1.082 1.368 1.00 71.52 H new ATOM 0 HD13 ILE A 164 27.226 -1.167 1.735 1.00 71.52 H new ATOM 1127 N GLN A 165 23.352 -1.229 2.153 1.00 10.13 N ATOM 1128 CA GLN A 165 22.811 0.046 1.712 1.00 64.33 C ATOM 1129 C GLN A 165 21.292 0.006 1.791 1.00 64.22 C ATOM 1130 O GLN A 165 20.688 -1.051 1.632 1.00 71.20 O ATOM 1131 CB GLN A 165 23.248 0.361 0.276 1.00 15.14 C ATOM 1132 CG GLN A 165 23.117 1.835 -0.088 1.00 10.22 C ATOM 1133 CD GLN A 165 23.370 2.116 -1.557 1.00 33.03 C ATOM 1134 OE1 GLN A 165 22.925 1.223 -2.426 1.00 35.41 O flip ATOM 1135 NE2 GLN A 165 23.929 3.157 -1.911 1.00 52.43 N flip ATOM 0 H GLN A 165 23.294 -1.974 1.459 1.00 10.13 H new ATOM 0 HA GLN A 165 23.194 0.830 2.365 1.00 64.33 H new ATOM 0 HB2 GLN A 165 24.285 0.053 0.144 1.00 15.14 H new ATOM 0 HB3 GLN A 165 22.649 -0.231 -0.416 1.00 15.14 H new ATOM 0 HG2 GLN A 165 22.116 2.179 0.173 1.00 10.22 H new ATOM 0 HG3 GLN A 165 23.820 2.414 0.512 1.00 10.22 H new ATOM 0 HE21 GLN A 165 24.259 3.822 -1.211 1.00 52.43 H new ATOM 0 HE22 GLN A 165 24.061 3.353 -2.903 1.00 52.43 H new ATOM 1144 N LYS A 166 20.677 1.146 2.052 1.00 70.43 N ATOM 1145 CA LYS A 166 19.225 1.217 2.131 1.00 60.03 C ATOM 1146 C LYS A 166 18.626 1.620 0.795 1.00 22.03 C ATOM 1147 O LYS A 166 17.852 0.872 0.200 1.00 4.55 O ATOM 1148 CB LYS A 166 18.801 2.206 3.222 1.00 15.24 C ATOM 1149 CG LYS A 166 17.309 2.489 3.238 1.00 40.15 C ATOM 1150 CD LYS A 166 16.913 3.349 4.425 1.00 14.20 C ATOM 1151 CE LYS A 166 15.440 3.725 4.379 1.00 3.00 C ATOM 1152 NZ LYS A 166 15.019 4.492 5.580 1.00 1.24 N ATOM 0 H LYS A 166 21.156 2.032 2.212 1.00 70.43 H new ATOM 0 HA LYS A 166 18.850 0.226 2.386 1.00 60.03 H new ATOM 0 HB2 LYS A 166 19.098 1.812 4.194 1.00 15.24 H new ATOM 0 HB3 LYS A 166 19.339 3.143 3.080 1.00 15.24 H new ATOM 0 HG2 LYS A 166 17.024 2.991 2.314 1.00 40.15 H new ATOM 0 HG3 LYS A 166 16.760 1.548 3.272 1.00 40.15 H new ATOM 0 HD2 LYS A 166 17.123 2.812 5.350 1.00 14.20 H new ATOM 0 HD3 LYS A 166 17.520 4.254 4.437 1.00 14.20 H new ATOM 0 HE2 LYS A 166 15.246 4.318 3.485 1.00 3.00 H new ATOM 0 HE3 LYS A 166 14.838 2.820 4.299 1.00 3.00 H new ATOM 0 HZ1 LYS A 166 14.009 4.727 5.505 1.00 1.24 H new ATOM 0 HZ2 LYS A 166 15.179 3.918 6.432 1.00 1.24 H new ATOM 0 HZ3 LYS A 166 15.574 5.369 5.644 1.00 1.24 H new ATOM 1166 N TYR A 167 18.983 2.802 0.330 1.00 52.41 N ATOM 1167 CA TYR A 167 18.430 3.330 -0.901 1.00 62.11 C ATOM 1168 C TYR A 167 19.159 2.779 -2.118 1.00 41.42 C ATOM 1169 O TYR A 167 20.307 3.129 -2.385 1.00 42.45 O ATOM 1170 CB TYR A 167 18.475 4.856 -0.888 1.00 52.30 C ATOM 1171 CG TYR A 167 17.615 5.468 0.194 1.00 64.42 C ATOM 1172 CD1 TYR A 167 18.008 6.623 0.853 1.00 2.31 C ATOM 1173 CD2 TYR A 167 16.408 4.883 0.558 1.00 63.45 C ATOM 1174 CE1 TYR A 167 17.223 7.180 1.845 1.00 45.25 C ATOM 1175 CE2 TYR A 167 15.618 5.435 1.545 1.00 53.02 C ATOM 1176 CZ TYR A 167 16.029 6.583 2.185 1.00 31.23 C ATOM 1177 OH TYR A 167 15.247 7.127 3.176 1.00 22.11 O ATOM 0 H TYR A 167 19.656 3.416 0.789 1.00 52.41 H new ATOM 0 HA TYR A 167 17.390 3.011 -0.969 1.00 62.11 H new ATOM 0 HB2 TYR A 167 19.506 5.181 -0.751 1.00 52.30 H new ATOM 0 HB3 TYR A 167 18.149 5.231 -1.858 1.00 52.30 H new ATOM 0 HD1 TYR A 167 18.942 7.095 0.587 1.00 2.31 H new ATOM 0 HD2 TYR A 167 16.083 3.981 0.060 1.00 63.45 H new ATOM 0 HE1 TYR A 167 17.544 8.079 2.351 1.00 45.25 H new ATOM 0 HE2 TYR A 167 14.682 4.969 1.815 1.00 53.02 H new ATOM 0 HH TYR A 167 14.439 6.584 3.290 1.00 22.11 H new ATOM 1187 N HIS A 168 18.478 1.911 -2.846 1.00 75.33 N ATOM 1188 CA HIS A 168 19.018 1.321 -4.059 1.00 75.21 C ATOM 1189 C HIS A 168 18.265 1.830 -5.276 1.00 34.20 C ATOM 1190 O HIS A 168 17.049 2.013 -5.233 1.00 21.52 O ATOM 1191 CB HIS A 168 18.944 -0.203 -3.995 1.00 32.40 C ATOM 1192 CG HIS A 168 20.068 -0.819 -3.223 1.00 75.54 C ATOM 1193 ND1 HIS A 168 21.159 -1.368 -3.851 1.00 42.13 N ATOM 1194 CD2 HIS A 168 20.214 -0.952 -1.887 1.00 11.21 C ATOM 1195 CE1 HIS A 168 21.940 -1.821 -2.888 1.00 12.23 C ATOM 1196 NE2 HIS A 168 21.409 -1.592 -1.678 1.00 51.33 N ATOM 0 H HIS A 168 17.536 1.596 -2.613 1.00 75.33 H new ATOM 0 HA HIS A 168 20.064 1.614 -4.145 1.00 75.21 H new ATOM 0 HB2 HIS A 168 17.997 -0.495 -3.540 1.00 32.40 H new ATOM 0 HB3 HIS A 168 18.947 -0.603 -5.009 1.00 32.40 H new ATOM 0 HD2 HIS A 168 19.522 -0.618 -1.128 1.00 11.21 H new ATOM 0 HE1 HIS A 168 22.887 -2.314 -3.054 1.00 12.23 H new ATOM 0 HE2 HIS A 168 21.815 -1.845 -0.777 1.00 51.33 H new ATOM 1204 N THR A 169 18.987 2.058 -6.357 1.00 44.43 N ATOM 1205 CA THR A 169 18.396 2.613 -7.557 1.00 3.04 C ATOM 1206 C THR A 169 18.182 1.534 -8.613 1.00 4.22 C ATOM 1207 O THR A 169 19.126 1.075 -9.254 1.00 73.31 O ATOM 1208 CB THR A 169 19.275 3.737 -8.132 1.00 13.33 C ATOM 1209 OG1 THR A 169 19.570 4.698 -7.106 1.00 3.44 O ATOM 1210 CG2 THR A 169 18.573 4.426 -9.289 1.00 2.44 C ATOM 0 H THR A 169 19.986 1.866 -6.427 1.00 44.43 H new ATOM 0 HA THR A 169 17.427 3.029 -7.282 1.00 3.04 H new ATOM 0 HB THR A 169 20.203 3.298 -8.498 1.00 13.33 H new ATOM 0 HG1 THR A 169 20.131 5.411 -7.477 1.00 3.44 H new ATOM 0 HG21 THR A 169 19.211 5.218 -9.682 1.00 2.44 H new ATOM 0 HG22 THR A 169 18.370 3.700 -10.076 1.00 2.44 H new ATOM 0 HG23 THR A 169 17.634 4.856 -8.941 1.00 2.44 H new ATOM 1218 N VAL A 170 16.935 1.132 -8.779 1.00 73.32 N ATOM 1219 CA VAL A 170 16.572 0.118 -9.755 1.00 0.14 C ATOM 1220 C VAL A 170 15.404 0.621 -10.598 1.00 42.04 C ATOM 1221 O VAL A 170 14.533 1.321 -10.079 1.00 44.40 O ATOM 1222 CB VAL A 170 16.206 -1.215 -9.061 1.00 31.35 C ATOM 1223 CG1 VAL A 170 15.103 -1.014 -8.031 1.00 64.53 C ATOM 1224 CG2 VAL A 170 15.805 -2.267 -10.083 1.00 70.43 C ATOM 0 H VAL A 170 16.147 1.497 -8.244 1.00 73.32 H new ATOM 0 HA VAL A 170 17.429 -0.071 -10.402 1.00 0.14 H new ATOM 0 HB VAL A 170 17.093 -1.571 -8.537 1.00 31.35 H new ATOM 0 HG11 VAL A 170 14.867 -1.968 -7.560 1.00 64.53 H new ATOM 0 HG12 VAL A 170 15.438 -0.307 -7.272 1.00 64.53 H new ATOM 0 HG13 VAL A 170 14.213 -0.622 -8.523 1.00 64.53 H new ATOM 0 HG21 VAL A 170 15.552 -3.195 -9.570 1.00 70.43 H new ATOM 0 HG22 VAL A 170 14.940 -1.916 -10.646 1.00 70.43 H new ATOM 0 HG23 VAL A 170 16.635 -2.445 -10.767 1.00 70.43 H new ATOM 1234 N ASN A 171 15.432 0.326 -11.907 1.00 63.31 N ATOM 1235 CA ASN A 171 14.391 0.774 -12.850 1.00 55.31 C ATOM 1236 C ASN A 171 14.564 2.274 -13.128 1.00 63.12 C ATOM 1237 O ASN A 171 14.056 2.809 -14.111 1.00 23.15 O ATOM 1238 CB ASN A 171 12.986 0.467 -12.276 1.00 42.53 C ATOM 1239 CG ASN A 171 11.822 0.554 -13.265 1.00 74.22 C ATOM 1240 OD1 ASN A 171 10.812 -0.123 -13.080 1.00 74.32 O ATOM 1241 ND2 ASN A 171 11.927 1.371 -14.298 1.00 62.55 N ATOM 0 H ASN A 171 16.171 -0.226 -12.341 1.00 63.31 H new ATOM 0 HA ASN A 171 14.492 0.235 -13.792 1.00 55.31 H new ATOM 0 HB2 ASN A 171 13.001 -0.536 -11.851 1.00 42.53 H new ATOM 0 HB3 ASN A 171 12.792 1.158 -11.456 1.00 42.53 H new ATOM 0 HD21 ASN A 171 11.159 1.451 -14.965 1.00 62.55 H new ATOM 0 HD22 ASN A 171 12.776 1.922 -14.429 1.00 62.55 H new ATOM 1248 N GLY A 172 15.342 2.930 -12.283 1.00 31.42 N ATOM 1249 CA GLY A 172 15.479 4.367 -12.346 1.00 33.52 C ATOM 1250 C GLY A 172 14.884 5.013 -11.117 1.00 54.23 C ATOM 1251 O GLY A 172 14.867 6.236 -10.985 1.00 43.53 O ATOM 0 H GLY A 172 15.888 2.485 -11.545 1.00 31.42 H new ATOM 0 HA2 GLY A 172 16.533 4.634 -12.430 1.00 33.52 H new ATOM 0 HA3 GLY A 172 14.982 4.746 -13.239 1.00 33.52 H new ATOM 1255 N HIS A 173 14.403 4.173 -10.212 1.00 3.15 N ATOM 1256 CA HIS A 173 13.779 4.633 -8.986 1.00 4.51 C ATOM 1257 C HIS A 173 14.679 4.324 -7.803 1.00 13.31 C ATOM 1258 O HIS A 173 15.233 3.227 -7.703 1.00 1.41 O ATOM 1259 CB HIS A 173 12.419 3.955 -8.778 1.00 54.31 C ATOM 1260 CG HIS A 173 11.424 4.209 -9.872 1.00 22.33 C ATOM 1261 ND1 HIS A 173 11.301 3.611 -11.083 1.00 32.23 N flip ATOM 1262 CD2 HIS A 173 10.426 5.142 -9.732 1.00 14.25 C flip ATOM 1263 CE1 HIS A 173 10.216 4.179 -11.701 1.00 41.24 C flip ATOM 1264 NE2 HIS A 173 9.725 5.093 -10.851 1.00 73.53 N flip ATOM 0 H HIS A 173 14.435 3.158 -10.309 1.00 3.15 H new ATOM 0 HA HIS A 173 13.627 5.709 -9.064 1.00 4.51 H new ATOM 0 HB2 HIS A 173 12.573 2.880 -8.687 1.00 54.31 H new ATOM 0 HB3 HIS A 173 11.997 4.298 -7.833 1.00 54.31 H new ATOM 0 HD2 HIS A 173 10.250 5.784 -8.882 1.00 14.25 H new ATOM 0 HE1 HIS A 173 9.832 3.937 -12.681 1.00 41.24 H new ATOM 0 HE2 HIS A 173 8.912 5.677 -11.044 1.00 73.53 H new ATOM 1272 N ASN A 174 14.849 5.297 -6.929 1.00 52.14 N ATOM 1273 CA ASN A 174 15.590 5.091 -5.697 1.00 35.45 C ATOM 1274 C ASN A 174 14.654 4.546 -4.628 1.00 51.01 C ATOM 1275 O ASN A 174 13.803 5.266 -4.106 1.00 23.41 O ATOM 1276 CB ASN A 174 16.240 6.398 -5.235 1.00 1.42 C ATOM 1277 CG ASN A 174 17.010 6.244 -3.938 1.00 12.33 C ATOM 1278 OD1 ASN A 174 18.175 5.848 -3.937 1.00 24.13 O ATOM 1279 ND2 ASN A 174 16.375 6.580 -2.825 1.00 52.14 N ATOM 0 H ASN A 174 14.483 6.242 -7.049 1.00 52.14 H new ATOM 0 HA ASN A 174 16.386 4.367 -5.874 1.00 35.45 H new ATOM 0 HB2 ASN A 174 16.914 6.758 -6.012 1.00 1.42 H new ATOM 0 HB3 ASN A 174 15.468 7.157 -5.106 1.00 1.42 H new ATOM 0 HD21 ASN A 174 16.852 6.515 -1.926 1.00 52.14 H new ATOM 0 HD22 ASN A 174 15.409 6.904 -2.867 1.00 52.14 H new ATOM 1286 N CYS A 175 14.796 3.266 -4.332 1.00 55.11 N ATOM 1287 CA CYS A 175 13.910 2.589 -3.401 1.00 31.43 C ATOM 1288 C CYS A 175 14.676 2.116 -2.172 1.00 34.22 C ATOM 1289 O CYS A 175 15.874 2.356 -2.052 1.00 53.45 O ATOM 1290 CB CYS A 175 13.239 1.408 -4.102 1.00 45.05 C ATOM 1291 SG CYS A 175 12.314 1.874 -5.583 1.00 12.35 S ATOM 0 H CYS A 175 15.523 2.670 -4.727 1.00 55.11 H new ATOM 0 HA CYS A 175 13.145 3.290 -3.068 1.00 31.43 H new ATOM 0 HB2 CYS A 175 14.001 0.678 -4.375 1.00 45.05 H new ATOM 0 HB3 CYS A 175 12.563 0.917 -3.402 1.00 45.05 H new ATOM 0 HG CYS A 175 11.781 0.813 -6.114 1.00 12.35 H new ATOM 1297 N GLU A 176 13.986 1.444 -1.266 1.00 60.45 N ATOM 1298 CA GLU A 176 14.596 0.972 -0.032 1.00 21.21 C ATOM 1299 C GLU A 176 14.694 -0.550 -0.030 1.00 71.52 C ATOM 1300 O GLU A 176 13.729 -1.240 -0.357 1.00 24.51 O ATOM 1301 CB GLU A 176 13.773 1.447 1.165 1.00 53.03 C ATOM 1302 CG GLU A 176 14.236 0.877 2.491 1.00 74.20 C ATOM 1303 CD GLU A 176 13.160 0.904 3.553 1.00 53.55 C ATOM 1304 OE1 GLU A 176 12.356 -0.043 3.604 1.00 53.44 O ATOM 1305 OE2 GLU A 176 13.136 1.855 4.361 1.00 23.10 O ATOM 0 H GLU A 176 12.997 1.211 -1.362 1.00 60.45 H new ATOM 0 HA GLU A 176 15.604 1.381 0.040 1.00 21.21 H new ATOM 0 HB2 GLU A 176 13.814 2.535 1.214 1.00 53.03 H new ATOM 0 HB3 GLU A 176 12.729 1.174 1.008 1.00 53.03 H new ATOM 0 HG2 GLU A 176 14.567 -0.151 2.343 1.00 74.20 H new ATOM 0 HG3 GLU A 176 15.099 1.442 2.842 1.00 74.20 H new ATOM 1312 N VAL A 177 15.859 -1.075 0.327 1.00 4.42 N ATOM 1313 CA VAL A 177 16.035 -2.517 0.394 1.00 11.24 C ATOM 1314 C VAL A 177 16.466 -2.939 1.799 1.00 12.21 C ATOM 1315 O VAL A 177 17.183 -2.210 2.492 1.00 32.14 O ATOM 1316 CB VAL A 177 17.047 -3.043 -0.656 1.00 23.10 C ATOM 1317 CG1 VAL A 177 16.896 -2.310 -1.978 1.00 63.22 C ATOM 1318 CG2 VAL A 177 18.475 -2.977 -0.149 1.00 31.51 C ATOM 0 H VAL A 177 16.686 -0.530 0.572 1.00 4.42 H new ATOM 0 HA VAL A 177 15.068 -2.964 0.162 1.00 11.24 H new ATOM 0 HB VAL A 177 16.817 -4.095 -0.828 1.00 23.10 H new ATOM 0 HG11 VAL A 177 17.619 -2.700 -2.695 1.00 63.22 H new ATOM 0 HG12 VAL A 177 15.887 -2.458 -2.363 1.00 63.22 H new ATOM 0 HG13 VAL A 177 17.074 -1.245 -1.826 1.00 63.22 H new ATOM 0 HG21 VAL A 177 19.151 -3.355 -0.916 1.00 31.51 H new ATOM 0 HG22 VAL A 177 18.731 -1.943 0.083 1.00 31.51 H new ATOM 0 HG23 VAL A 177 18.570 -3.585 0.750 1.00 31.51 H new ATOM 1328 N ARG A 178 15.990 -4.098 2.232 1.00 34.32 N ATOM 1329 CA ARG A 178 16.346 -4.640 3.540 1.00 23.11 C ATOM 1330 C ARG A 178 16.673 -6.120 3.424 1.00 34.21 C ATOM 1331 O ARG A 178 16.503 -6.716 2.360 1.00 55.34 O ATOM 1332 CB ARG A 178 15.185 -4.483 4.528 1.00 52.00 C ATOM 1333 CG ARG A 178 14.511 -3.127 4.489 1.00 44.55 C ATOM 1334 CD ARG A 178 13.525 -2.967 5.633 1.00 40.13 C ATOM 1335 NE ARG A 178 12.864 -1.669 5.603 1.00 60.42 N ATOM 1336 CZ ARG A 178 12.403 -1.034 6.675 1.00 3.14 C ATOM 1337 NH1 ARG A 178 12.509 -1.583 7.882 1.00 41.20 N ATOM 1338 NH2 ARG A 178 11.840 0.156 6.531 1.00 53.31 N ATOM 0 H ARG A 178 15.353 -4.686 1.695 1.00 34.32 H new ATOM 0 HA ARG A 178 17.214 -4.088 3.902 1.00 23.11 H new ATOM 0 HB2 ARG A 178 14.441 -5.252 4.320 1.00 52.00 H new ATOM 0 HB3 ARG A 178 15.556 -4.662 5.537 1.00 52.00 H new ATOM 0 HG2 ARG A 178 15.265 -2.342 4.544 1.00 44.55 H new ATOM 0 HG3 ARG A 178 13.992 -3.004 3.539 1.00 44.55 H new ATOM 0 HD2 ARG A 178 12.776 -3.757 5.580 1.00 40.13 H new ATOM 0 HD3 ARG A 178 14.048 -3.086 6.582 1.00 40.13 H new ATOM 0 HE ARG A 178 12.747 -1.217 4.696 1.00 60.42 H new ATOM 0 HH11 ARG A 178 12.947 -2.498 7.989 1.00 41.20 H new ATOM 0 HH12 ARG A 178 12.153 -1.089 8.700 1.00 41.20 H new ATOM 0 HH21 ARG A 178 11.764 0.575 5.604 1.00 53.31 H new ATOM 0 HH22 ARG A 178 11.482 0.653 7.347 1.00 53.31 H new ATOM 1352 N LYS A 179 17.138 -6.710 4.517 1.00 5.25 N ATOM 1353 CA LYS A 179 17.228 -8.160 4.607 1.00 44.41 C ATOM 1354 C LYS A 179 15.807 -8.707 4.691 1.00 13.54 C ATOM 1355 O LYS A 179 15.070 -8.359 5.615 1.00 34.01 O ATOM 1356 CB LYS A 179 18.016 -8.592 5.853 1.00 52.33 C ATOM 1357 CG LYS A 179 19.435 -8.044 5.941 1.00 62.12 C ATOM 1358 CD LYS A 179 20.120 -8.500 7.224 1.00 14.21 C ATOM 1359 CE LYS A 179 21.523 -7.925 7.362 1.00 32.34 C ATOM 1360 NZ LYS A 179 22.456 -8.460 6.338 1.00 75.43 N ATOM 0 H LYS A 179 17.456 -6.211 5.348 1.00 5.25 H new ATOM 0 HA LYS A 179 17.751 -8.547 3.732 1.00 44.41 H new ATOM 0 HB2 LYS A 179 17.466 -8.277 6.740 1.00 52.33 H new ATOM 0 HB3 LYS A 179 18.061 -9.681 5.876 1.00 52.33 H new ATOM 0 HG2 LYS A 179 20.012 -8.378 5.079 1.00 62.12 H new ATOM 0 HG3 LYS A 179 19.411 -6.955 5.905 1.00 62.12 H new ATOM 0 HD2 LYS A 179 19.519 -8.198 8.082 1.00 14.21 H new ATOM 0 HD3 LYS A 179 20.172 -9.589 7.239 1.00 14.21 H new ATOM 0 HE2 LYS A 179 21.478 -6.839 7.277 1.00 32.34 H new ATOM 0 HE3 LYS A 179 21.910 -8.151 8.356 1.00 32.34 H new ATOM 0 HZ1 LYS A 179 23.061 -9.190 6.767 1.00 75.43 H new ATOM 0 HZ2 LYS A 179 21.911 -8.877 5.556 1.00 75.43 H new ATOM 0 HZ3 LYS A 179 23.050 -7.689 5.973 1.00 75.43 H new ATOM 1374 N ALA A 180 15.403 -9.524 3.729 1.00 24.53 N ATOM 1375 CA ALA A 180 14.030 -10.007 3.694 1.00 73.35 C ATOM 1376 C ALA A 180 13.790 -11.092 4.731 1.00 70.10 C ATOM 1377 O ALA A 180 14.039 -12.272 4.486 1.00 25.12 O ATOM 1378 CB ALA A 180 13.655 -10.511 2.311 1.00 54.55 C ATOM 0 H ALA A 180 15.997 -9.863 2.972 1.00 24.53 H new ATOM 0 HA ALA A 180 13.390 -9.159 3.937 1.00 73.35 H new ATOM 0 HB1 ALA A 180 12.624 -10.864 2.320 1.00 54.55 H new ATOM 0 HB2 ALA A 180 13.755 -9.701 1.589 1.00 54.55 H new ATOM 0 HB3 ALA A 180 14.317 -11.330 2.031 1.00 54.55 H new ATOM 1384 N LEU A 181 13.328 -10.676 5.896 1.00 23.35 N ATOM 1385 CA LEU A 181 12.928 -11.607 6.932 1.00 40.02 C ATOM 1386 C LEU A 181 11.450 -11.921 6.769 1.00 33.10 C ATOM 1387 O LEU A 181 10.656 -11.026 6.479 1.00 33.32 O ATOM 1388 CB LEU A 181 13.215 -11.045 8.337 1.00 75.20 C ATOM 1389 CG LEU A 181 12.349 -9.869 8.813 1.00 25.42 C ATOM 1390 CD1 LEU A 181 12.626 -9.584 10.279 1.00 21.52 C ATOM 1391 CD2 LEU A 181 12.602 -8.613 7.994 1.00 12.54 C ATOM 0 H LEU A 181 13.221 -9.693 6.148 1.00 23.35 H new ATOM 0 HA LEU A 181 13.511 -12.522 6.829 1.00 40.02 H new ATOM 0 HB2 LEU A 181 13.105 -11.858 9.055 1.00 75.20 H new ATOM 0 HB3 LEU A 181 14.258 -10.731 8.369 1.00 75.20 H new ATOM 0 HG LEU A 181 11.305 -10.153 8.680 1.00 25.42 H new ATOM 0 HD11 LEU A 181 12.009 -8.749 10.610 1.00 21.52 H new ATOM 0 HD12 LEU A 181 12.390 -10.467 10.872 1.00 21.52 H new ATOM 0 HD13 LEU A 181 13.678 -9.331 10.408 1.00 21.52 H new ATOM 0 HD21 LEU A 181 11.970 -7.805 8.363 1.00 12.54 H new ATOM 0 HD22 LEU A 181 13.649 -8.325 8.084 1.00 12.54 H new ATOM 0 HD23 LEU A 181 12.368 -8.808 6.947 1.00 12.54 H new ATOM 1403 N SER A 182 11.088 -13.186 6.933 1.00 10.52 N ATOM 1404 CA SER A 182 9.712 -13.626 6.733 1.00 23.51 C ATOM 1405 C SER A 182 8.760 -12.834 7.622 1.00 65.54 C ATOM 1406 O SER A 182 9.151 -12.369 8.691 1.00 63.05 O ATOM 1407 CB SER A 182 9.600 -15.115 7.049 1.00 15.02 C ATOM 1408 OG SER A 182 10.611 -15.855 6.384 1.00 74.22 O ATOM 0 H SER A 182 11.731 -13.930 7.205 1.00 10.52 H new ATOM 0 HA SER A 182 9.436 -13.453 5.693 1.00 23.51 H new ATOM 0 HB2 SER A 182 9.681 -15.269 8.125 1.00 15.02 H new ATOM 0 HB3 SER A 182 8.619 -15.481 6.747 1.00 15.02 H new ATOM 0 HG SER A 182 11.429 -15.850 6.924 1.00 74.22 H new ATOM 1414 N LYS A 183 7.513 -12.683 7.183 1.00 75.23 N ATOM 1415 CA LYS A 183 6.505 -11.998 7.986 1.00 51.55 C ATOM 1416 C LYS A 183 6.335 -12.718 9.323 1.00 62.33 C ATOM 1417 O LYS A 183 6.011 -12.109 10.341 1.00 74.30 O ATOM 1418 CB LYS A 183 5.172 -11.908 7.234 1.00 64.40 C ATOM 1419 CG LYS A 183 4.703 -13.223 6.640 1.00 60.23 C ATOM 1420 CD LYS A 183 3.318 -13.097 6.032 1.00 33.44 C ATOM 1421 CE LYS A 183 2.912 -14.368 5.313 1.00 10.25 C ATOM 1422 NZ LYS A 183 2.772 -15.525 6.235 1.00 55.04 N ATOM 0 H LYS A 183 7.178 -13.023 6.282 1.00 75.23 H new ATOM 0 HA LYS A 183 6.840 -10.979 8.178 1.00 51.55 H new ATOM 0 HB2 LYS A 183 4.407 -11.537 7.916 1.00 64.40 H new ATOM 0 HB3 LYS A 183 5.268 -11.174 6.434 1.00 64.40 H new ATOM 0 HG2 LYS A 183 5.408 -13.550 5.876 1.00 60.23 H new ATOM 0 HG3 LYS A 183 4.693 -13.990 7.414 1.00 60.23 H new ATOM 0 HD2 LYS A 183 2.594 -12.873 6.816 1.00 33.44 H new ATOM 0 HD3 LYS A 183 3.300 -12.260 5.333 1.00 33.44 H new ATOM 0 HE2 LYS A 183 1.966 -14.203 4.797 1.00 10.25 H new ATOM 0 HE3 LYS A 183 3.655 -14.603 4.551 1.00 10.25 H new ATOM 0 HZ1 LYS A 183 2.412 -16.347 5.709 1.00 55.04 H new ATOM 0 HZ2 LYS A 183 3.699 -15.756 6.645 1.00 55.04 H new ATOM 0 HZ3 LYS A 183 2.107 -15.283 6.997 1.00 55.04 H new ATOM 1436 N GLN A 184 6.600 -14.018 9.297 1.00 20.34 N ATOM 1437 CA GLN A 184 6.635 -14.844 10.496 1.00 34.44 C ATOM 1438 C GLN A 184 7.706 -14.341 11.466 1.00 4.33 C ATOM 1439 O GLN A 184 7.492 -14.263 12.674 1.00 0.33 O ATOM 1440 CB GLN A 184 6.958 -16.282 10.089 1.00 32.42 C ATOM 1441 CG GLN A 184 6.872 -17.291 11.222 1.00 43.01 C ATOM 1442 CD GLN A 184 5.466 -17.461 11.755 1.00 44.00 C ATOM 1443 OE1 GLN A 184 5.062 -16.790 12.704 1.00 13.43 O ATOM 1444 NE2 GLN A 184 4.708 -18.353 11.140 1.00 34.23 N ATOM 0 H GLN A 184 6.798 -14.531 8.438 1.00 20.34 H new ATOM 0 HA GLN A 184 5.666 -14.795 10.993 1.00 34.44 H new ATOM 0 HB2 GLN A 184 6.273 -16.585 9.297 1.00 32.42 H new ATOM 0 HB3 GLN A 184 7.964 -16.310 9.669 1.00 32.42 H new ATOM 0 HG2 GLN A 184 7.241 -18.255 10.872 1.00 43.01 H new ATOM 0 HG3 GLN A 184 7.527 -16.975 12.034 1.00 43.01 H new ATOM 0 HE21 GLN A 184 5.083 -18.888 10.357 1.00 34.23 H new ATOM 0 HE22 GLN A 184 3.748 -18.506 11.449 1.00 34.23 H new ATOM 1453 N GLU A 185 8.858 -13.992 10.910 1.00 41.14 N ATOM 1454 CA GLU A 185 10.020 -13.610 11.700 1.00 13.32 C ATOM 1455 C GLU A 185 9.970 -12.129 12.053 1.00 12.21 C ATOM 1456 O GLU A 185 10.374 -11.725 13.143 1.00 44.03 O ATOM 1457 CB GLU A 185 11.293 -13.920 10.911 1.00 2.23 C ATOM 1458 CG GLU A 185 11.332 -15.347 10.391 1.00 23.54 C ATOM 1459 CD GLU A 185 12.508 -15.619 9.475 1.00 63.12 C ATOM 1460 OE1 GLU A 185 12.513 -15.104 8.334 1.00 40.43 O ATOM 1461 OE2 GLU A 185 13.418 -16.370 9.881 1.00 72.10 O ATOM 0 H GLU A 185 9.013 -13.966 9.902 1.00 41.14 H new ATOM 0 HA GLU A 185 10.018 -14.180 12.629 1.00 13.32 H new ATOM 0 HB2 GLU A 185 11.371 -13.230 10.071 1.00 2.23 H new ATOM 0 HB3 GLU A 185 12.161 -13.747 11.548 1.00 2.23 H new ATOM 0 HG2 GLU A 185 11.373 -16.034 11.237 1.00 23.54 H new ATOM 0 HG3 GLU A 185 10.406 -15.556 9.855 1.00 23.54 H new ATOM 1468 N MET A 186 9.451 -11.328 11.133 1.00 41.33 N ATOM 1469 CA MET A 186 9.380 -9.886 11.327 1.00 43.10 C ATOM 1470 C MET A 186 8.316 -9.536 12.361 1.00 5.12 C ATOM 1471 O MET A 186 8.286 -8.424 12.886 1.00 35.14 O ATOM 1472 CB MET A 186 9.102 -9.172 9.998 1.00 0.43 C ATOM 1473 CG MET A 186 7.650 -9.230 9.548 1.00 41.45 C ATOM 1474 SD MET A 186 7.385 -8.422 7.957 1.00 2.31 S ATOM 1475 CE MET A 186 7.894 -6.748 8.338 1.00 42.22 C ATOM 0 H MET A 186 9.072 -11.653 10.243 1.00 41.33 H new ATOM 0 HA MET A 186 10.345 -9.543 11.700 1.00 43.10 H new ATOM 0 HB2 MET A 186 9.400 -8.128 10.091 1.00 0.43 H new ATOM 0 HB3 MET A 186 9.728 -9.614 9.223 1.00 0.43 H new ATOM 0 HG2 MET A 186 7.336 -10.272 9.479 1.00 41.45 H new ATOM 0 HG3 MET A 186 7.021 -8.756 10.301 1.00 41.45 H new ATOM 0 HE1 MET A 186 7.530 -6.072 7.564 1.00 42.22 H new ATOM 0 HE2 MET A 186 7.480 -6.452 9.302 1.00 42.22 H new ATOM 0 HE3 MET A 186 8.982 -6.699 8.380 1.00 42.22 H new