USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 TYR OH : rot 61:sc= 1.22 USER MOD Set 1.2: A 128 TYR OH : rot 30:sc= 1.08 USER MOD Set 1.3: A 168 HIS : no HD1:sc= -5.39! C(o=-3.1!,f=-9.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -132:sc= 1.26 (180deg=0.603) USER MOD Single : A 119 HIS :FLIP no HD1:sc= -0.319 F(o=-2.9!,f=-0.32) USER MOD Single : A 120 HIS : no HE2:sc= -0.937! C(o=-0.94!,f=-9.9!) USER MOD Single : A 127 GLN : amide:sc= 1.13 K(o=1.1,f=-0.07) USER MOD Single : A 130 LYS NZ :NH3+ -157:sc= 0.77 (180deg=0.235) USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 156 HIS :FLIP no HD1:sc= -0.109 F(o=-0.67,f=-0.11) USER MOD Single : A 158 SER OG : rot -37:sc= -1.45! USER MOD Single : A 161 LYS NZ :NH3+ -119:sc= 0.298 (180deg=-0.375) USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -0.475 K(o=-0.48,f=-1.2) USER MOD Single : A 173 HIS : no HD1:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 174 ASN :FLIP amide:sc= 0.866 F(o=-1.2,f=0.87) USER MOD Single : A 175 CYS SG : rot 180:sc= -0.265 USER MOD Single : A 179 LYS NZ :NH3+ -131:sc= -0.163 (180deg=-1.09) USER MOD Single : A 182 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 183 LYS NZ :NH3+ 171:sc= -0.0112 (180deg=-0.138) USER MOD Single : A 184 GLN : amide:sc= -1.62! C(o=-1.6!,f=-6.6!) USER MOD Single : A 186 MET CE :methyl -162:sc= -0.187 (180deg=-0.67) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.486 -13.499 5.313 1.00 65.34 N ATOM 137 CA VAL A 104 20.206 -13.539 4.612 1.00 23.42 C ATOM 138 C VAL A 104 20.423 -13.885 3.133 1.00 53.13 C ATOM 139 O VAL A 104 21.465 -13.553 2.572 1.00 70.41 O ATOM 140 CB VAL A 104 19.484 -12.174 4.741 1.00 52.04 C ATOM 141 CG1 VAL A 104 18.096 -12.214 4.130 1.00 53.13 C ATOM 142 CG2 VAL A 104 19.405 -11.748 6.199 1.00 22.33 C ATOM 0 HA VAL A 104 19.582 -14.310 5.064 1.00 23.42 H new ATOM 0 HB VAL A 104 20.070 -11.440 4.188 1.00 52.04 H new ATOM 0 HG11 VAL A 104 17.622 -11.239 4.240 1.00 53.13 H new ATOM 0 HG12 VAL A 104 18.171 -12.463 3.072 1.00 53.13 H new ATOM 0 HG13 VAL A 104 17.496 -12.969 4.639 1.00 53.13 H new ATOM 0 HG21 VAL A 104 18.895 -10.787 6.270 1.00 22.33 H new ATOM 0 HG22 VAL A 104 18.852 -12.496 6.767 1.00 22.33 H new ATOM 0 HG23 VAL A 104 20.412 -11.655 6.606 1.00 22.33 H new ATOM 152 N LYS A 105 19.457 -14.571 2.515 1.00 2.30 N ATOM 153 CA LYS A 105 19.594 -14.994 1.117 1.00 11.41 C ATOM 154 C LYS A 105 18.543 -14.349 0.211 1.00 54.24 C ATOM 155 O LYS A 105 18.558 -14.552 -1.001 1.00 53.42 O ATOM 156 CB LYS A 105 19.505 -16.519 0.989 1.00 35.24 C ATOM 157 CG LYS A 105 20.775 -17.257 1.394 1.00 32.41 C ATOM 158 CD LYS A 105 20.574 -18.123 2.635 1.00 3.34 C ATOM 159 CE LYS A 105 20.246 -17.303 3.875 1.00 24.11 C ATOM 160 NZ LYS A 105 20.110 -18.155 5.088 1.00 62.44 N ATOM 0 H LYS A 105 18.578 -14.844 2.956 1.00 2.30 H new ATOM 0 HA LYS A 105 20.579 -14.659 0.791 1.00 11.41 H new ATOM 0 HB2 LYS A 105 18.679 -16.876 1.604 1.00 35.24 H new ATOM 0 HB3 LYS A 105 19.265 -16.772 -0.044 1.00 35.24 H new ATOM 0 HG2 LYS A 105 21.107 -17.884 0.567 1.00 32.41 H new ATOM 0 HG3 LYS A 105 21.568 -16.533 1.584 1.00 32.41 H new ATOM 0 HD2 LYS A 105 19.769 -18.834 2.451 1.00 3.34 H new ATOM 0 HD3 LYS A 105 21.477 -18.705 2.817 1.00 3.34 H new ATOM 0 HE2 LYS A 105 21.030 -16.563 4.038 1.00 24.11 H new ATOM 0 HE3 LYS A 105 19.318 -16.754 3.712 1.00 24.11 H new ATOM 0 HZ1 LYS A 105 19.887 -17.557 5.909 1.00 62.44 H new ATOM 0 HZ2 LYS A 105 19.345 -18.845 4.944 1.00 62.44 H new ATOM 0 HZ3 LYS A 105 21.003 -18.659 5.260 1.00 62.44 H new ATOM 174 N LYS A 106 17.633 -13.586 0.790 1.00 4.53 N ATOM 175 CA LYS A 106 16.622 -12.886 0.008 1.00 23.24 C ATOM 176 C LYS A 106 16.483 -11.453 0.500 1.00 62.22 C ATOM 177 O LYS A 106 16.511 -11.194 1.702 1.00 23.41 O ATOM 178 CB LYS A 106 15.272 -13.618 0.071 1.00 63.11 C ATOM 179 CG LYS A 106 14.144 -12.885 -0.651 1.00 62.45 C ATOM 180 CD LYS A 106 13.071 -13.840 -1.152 1.00 21.31 C ATOM 181 CE LYS A 106 12.327 -14.529 -0.021 1.00 54.51 C ATOM 182 NZ LYS A 106 11.544 -15.694 -0.513 1.00 25.15 N ATOM 0 H LYS A 106 17.571 -13.434 1.797 1.00 4.53 H new ATOM 0 HA LYS A 106 16.941 -12.869 -1.034 1.00 23.24 H new ATOM 0 HB2 LYS A 106 15.386 -14.611 -0.365 1.00 63.11 H new ATOM 0 HB3 LYS A 106 14.993 -13.758 1.115 1.00 63.11 H new ATOM 0 HG2 LYS A 106 13.694 -12.157 0.024 1.00 62.45 H new ATOM 0 HG3 LYS A 106 14.555 -12.328 -1.493 1.00 62.45 H new ATOM 0 HD2 LYS A 106 12.359 -13.290 -1.768 1.00 21.31 H new ATOM 0 HD3 LYS A 106 13.531 -14.594 -1.792 1.00 21.31 H new ATOM 0 HE2 LYS A 106 13.039 -14.861 0.735 1.00 54.51 H new ATOM 0 HE3 LYS A 106 11.658 -13.817 0.462 1.00 54.51 H new ATOM 0 HZ1 LYS A 106 10.578 -15.649 -0.131 1.00 25.15 H new ATOM 0 HZ2 LYS A 106 11.507 -15.673 -1.552 1.00 25.15 H new ATOM 0 HZ3 LYS A 106 11.999 -16.575 -0.201 1.00 25.15 H new ATOM 196 N ILE A 107 16.354 -10.522 -0.429 1.00 74.31 N ATOM 197 CA ILE A 107 16.230 -9.118 -0.076 1.00 13.34 C ATOM 198 C ILE A 107 14.798 -8.634 -0.279 1.00 34.10 C ATOM 199 O ILE A 107 14.047 -9.192 -1.083 1.00 62.35 O ATOM 200 CB ILE A 107 17.202 -8.240 -0.894 1.00 4.50 C ATOM 201 CG1 ILE A 107 16.845 -8.271 -2.379 1.00 24.41 C ATOM 202 CG2 ILE A 107 18.636 -8.694 -0.685 1.00 50.21 C ATOM 203 CD1 ILE A 107 16.076 -7.055 -2.832 1.00 20.44 C ATOM 0 H ILE A 107 16.332 -10.712 -1.431 1.00 74.31 H new ATOM 0 HA ILE A 107 16.491 -9.024 0.978 1.00 13.34 H new ATOM 0 HB ILE A 107 17.108 -7.213 -0.541 1.00 4.50 H new ATOM 0 HG12 ILE A 107 17.761 -8.352 -2.964 1.00 24.41 H new ATOM 0 HG13 ILE A 107 16.255 -9.164 -2.585 1.00 24.41 H new ATOM 0 HG21 ILE A 107 19.306 -8.063 -1.269 1.00 50.21 H new ATOM 0 HG22 ILE A 107 18.892 -8.615 0.371 1.00 50.21 H new ATOM 0 HG23 ILE A 107 18.740 -9.730 -1.007 1.00 50.21 H new ATOM 0 HD11 ILE A 107 15.854 -7.140 -3.896 1.00 20.44 H new ATOM 0 HD12 ILE A 107 15.144 -6.984 -2.272 1.00 20.44 H new ATOM 0 HD13 ILE A 107 16.674 -6.160 -2.656 1.00 20.44 H new ATOM 215 N PHE A 108 14.433 -7.604 0.464 1.00 35.34 N ATOM 216 CA PHE A 108 13.109 -7.012 0.379 1.00 42.30 C ATOM 217 C PHE A 108 13.166 -5.724 -0.428 1.00 3.34 C ATOM 218 O PHE A 108 13.980 -4.843 -0.142 1.00 44.05 O ATOM 219 CB PHE A 108 12.571 -6.737 1.787 1.00 2.32 C ATOM 220 CG PHE A 108 11.297 -5.938 1.816 1.00 71.14 C ATOM 221 CD1 PHE A 108 10.103 -6.491 1.381 1.00 42.13 C ATOM 222 CD2 PHE A 108 11.296 -4.633 2.286 1.00 31.04 C ATOM 223 CE1 PHE A 108 8.932 -5.760 1.412 1.00 61.11 C ATOM 224 CE2 PHE A 108 10.126 -3.896 2.319 1.00 71.14 C ATOM 225 CZ PHE A 108 8.943 -4.461 1.880 1.00 33.23 C ATOM 0 H PHE A 108 15.046 -7.154 1.144 1.00 35.34 H new ATOM 0 HA PHE A 108 12.437 -7.708 -0.123 1.00 42.30 H new ATOM 0 HB2 PHE A 108 12.401 -7.688 2.291 1.00 2.32 H new ATOM 0 HB3 PHE A 108 13.333 -6.206 2.357 1.00 2.32 H new ATOM 0 HD1 PHE A 108 10.088 -7.506 1.013 1.00 42.13 H new ATOM 0 HD2 PHE A 108 12.218 -4.188 2.630 1.00 31.04 H new ATOM 0 HE1 PHE A 108 8.008 -6.204 1.071 1.00 61.11 H new ATOM 0 HE2 PHE A 108 10.137 -2.881 2.687 1.00 71.14 H new ATOM 0 HZ PHE A 108 8.028 -3.887 1.903 1.00 33.23 H new ATOM 235 N VAL A 109 12.315 -5.622 -1.439 1.00 33.41 N ATOM 236 CA VAL A 109 12.262 -4.432 -2.271 1.00 14.34 C ATOM 237 C VAL A 109 11.072 -3.564 -1.888 1.00 40.32 C ATOM 238 O VAL A 109 9.919 -3.935 -2.116 1.00 72.54 O ATOM 239 CB VAL A 109 12.164 -4.775 -3.773 1.00 31.42 C ATOM 240 CG1 VAL A 109 12.193 -3.510 -4.614 1.00 70.31 C ATOM 241 CG2 VAL A 109 13.279 -5.717 -4.190 1.00 45.01 C ATOM 0 H VAL A 109 11.652 -6.351 -1.702 1.00 33.41 H new ATOM 0 HA VAL A 109 13.192 -3.890 -2.100 1.00 14.34 H new ATOM 0 HB VAL A 109 11.213 -5.280 -3.941 1.00 31.42 H new ATOM 0 HG11 VAL A 109 12.123 -3.773 -5.669 1.00 70.31 H new ATOM 0 HG12 VAL A 109 11.351 -2.873 -4.342 1.00 70.31 H new ATOM 0 HG13 VAL A 109 13.126 -2.975 -4.435 1.00 70.31 H new ATOM 0 HG21 VAL A 109 13.187 -5.942 -5.252 1.00 45.01 H new ATOM 0 HG22 VAL A 109 14.243 -5.245 -4.002 1.00 45.01 H new ATOM 0 HG23 VAL A 109 13.209 -6.641 -3.616 1.00 45.01 H new ATOM 251 N GLY A 110 11.364 -2.423 -1.292 1.00 54.31 N ATOM 252 CA GLY A 110 10.338 -1.464 -0.964 1.00 43.44 C ATOM 253 C GLY A 110 10.711 -0.084 -1.455 1.00 10.04 C ATOM 254 O GLY A 110 11.708 0.079 -2.159 1.00 71.11 O ATOM 0 H GLY A 110 12.308 -2.142 -1.026 1.00 54.31 H new ATOM 0 HA2 GLY A 110 9.392 -1.770 -1.412 1.00 43.44 H new ATOM 0 HA3 GLY A 110 10.187 -1.442 0.115 1.00 43.44 H new ATOM 347 N GLU A 117 9.105 -4.902 -12.034 1.00 63.22 N ATOM 348 CA GLU A 117 8.883 -6.330 -12.152 1.00 23.20 C ATOM 349 C GLU A 117 10.189 -7.102 -11.981 1.00 24.34 C ATOM 350 O GLU A 117 11.223 -6.523 -11.644 1.00 51.35 O ATOM 351 CB GLU A 117 8.235 -6.643 -13.501 1.00 14.00 C ATOM 352 CG GLU A 117 9.152 -6.461 -14.690 1.00 1.10 C ATOM 353 CD GLU A 117 8.429 -6.658 -16.005 1.00 60.34 C ATOM 354 OE1 GLU A 117 8.527 -7.762 -16.578 1.00 62.11 O ATOM 355 OE2 GLU A 117 7.756 -5.713 -16.463 1.00 1.52 O ATOM 0 HA GLU A 117 8.208 -6.647 -11.357 1.00 23.20 H new ATOM 0 HB2 GLU A 117 7.876 -7.672 -13.488 1.00 14.00 H new ATOM 0 HB3 GLU A 117 7.362 -6.003 -13.629 1.00 14.00 H new ATOM 0 HG2 GLU A 117 9.586 -5.462 -14.662 1.00 1.10 H new ATOM 0 HG3 GLU A 117 9.978 -7.169 -14.622 1.00 1.10 H new ATOM 362 N GLU A 118 10.130 -8.405 -12.235 1.00 24.41 N ATOM 363 CA GLU A 118 11.253 -9.298 -11.989 1.00 65.13 C ATOM 364 C GLU A 118 12.504 -8.881 -12.755 1.00 73.03 C ATOM 365 O GLU A 118 13.594 -8.826 -12.178 1.00 72.15 O ATOM 366 CB GLU A 118 10.857 -10.743 -12.323 1.00 13.12 C ATOM 367 CG GLU A 118 12.034 -11.650 -12.653 1.00 2.11 C ATOM 368 CD GLU A 118 11.695 -13.120 -12.536 1.00 70.12 C ATOM 369 OE1 GLU A 118 10.717 -13.566 -13.169 1.00 70.44 O ATOM 370 OE2 GLU A 118 12.419 -13.837 -11.816 1.00 73.35 O ATOM 0 H GLU A 118 9.305 -8.869 -12.616 1.00 24.41 H new ATOM 0 HA GLU A 118 11.502 -9.233 -10.930 1.00 65.13 H new ATOM 0 HB2 GLU A 118 10.314 -11.164 -11.477 1.00 13.12 H new ATOM 0 HB3 GLU A 118 10.171 -10.734 -13.170 1.00 13.12 H new ATOM 0 HG2 GLU A 118 12.375 -11.440 -13.667 1.00 2.11 H new ATOM 0 HG3 GLU A 118 12.863 -11.419 -11.984 1.00 2.11 H new ATOM 377 N HIS A 119 12.352 -8.570 -14.039 1.00 63.33 N ATOM 378 CA HIS A 119 13.494 -8.197 -14.864 1.00 3.12 C ATOM 379 C HIS A 119 14.149 -6.921 -14.334 1.00 45.34 C ATOM 380 O HIS A 119 15.352 -6.726 -14.482 1.00 33.42 O ATOM 381 CB HIS A 119 13.084 -8.042 -16.344 1.00 13.40 C ATOM 382 CG HIS A 119 12.765 -6.641 -16.791 1.00 11.24 C ATOM 383 ND1 HIS A 119 11.591 -5.969 -16.766 1.00 51.04 N flip ATOM 384 CD2 HIS A 119 13.726 -5.840 -17.364 1.00 60.30 C flip ATOM 385 CE1 HIS A 119 11.822 -4.744 -17.335 1.00 1.40 C flip ATOM 386 NE2 HIS A 119 13.116 -4.712 -17.676 1.00 74.41 N flip ATOM 0 H HIS A 119 11.456 -8.569 -14.527 1.00 63.33 H new ATOM 0 HA HIS A 119 14.229 -9.000 -14.809 1.00 3.12 H new ATOM 0 HB2 HIS A 119 13.891 -8.427 -16.967 1.00 13.40 H new ATOM 0 HB3 HIS A 119 12.212 -8.669 -16.528 1.00 13.40 H new ATOM 0 HD2 HIS A 119 14.766 -6.084 -17.525 1.00 60.30 H new ATOM 0 HE1 HIS A 119 11.099 -3.955 -17.480 1.00 1.40 H new ATOM 0 HE2 HIS A 119 13.573 -3.916 -18.121 1.00 74.41 H new ATOM 394 N HIS A 120 13.352 -6.069 -13.699 1.00 34.42 N ATOM 395 CA HIS A 120 13.857 -4.822 -13.140 1.00 60.13 C ATOM 396 C HIS A 120 14.787 -5.094 -11.963 1.00 23.42 C ATOM 397 O HIS A 120 15.946 -4.667 -11.968 1.00 73.13 O ATOM 398 CB HIS A 120 12.703 -3.920 -12.697 1.00 52.22 C ATOM 399 CG HIS A 120 11.936 -3.322 -13.831 1.00 1.24 C ATOM 400 ND1 HIS A 120 10.591 -3.542 -13.976 1.00 2.31 N ATOM 401 CD2 HIS A 120 12.363 -2.511 -14.827 1.00 53.52 C ATOM 402 CE1 HIS A 120 10.225 -2.866 -15.050 1.00 13.44 C ATOM 403 NE2 HIS A 120 11.266 -2.227 -15.596 1.00 14.23 N ATOM 0 H HIS A 120 12.353 -6.220 -13.559 1.00 34.42 H new ATOM 0 HA HIS A 120 14.421 -4.310 -13.920 1.00 60.13 H new ATOM 0 HB2 HIS A 120 12.021 -4.498 -12.074 1.00 52.22 H new ATOM 0 HB3 HIS A 120 13.100 -3.117 -12.075 1.00 52.22 H new ATOM 0 HD1 HIS A 120 9.994 -4.112 -13.376 1.00 2.31 H new ATOM 0 HD2 HIS A 120 13.371 -2.157 -14.984 1.00 53.52 H new ATOM 0 HE1 HIS A 120 9.217 -2.833 -15.437 1.00 13.44 H new ATOM 411 N LEU A 121 14.279 -5.814 -10.964 1.00 32.10 N ATOM 412 CA LEU A 121 15.077 -6.150 -9.789 1.00 43.13 C ATOM 413 C LEU A 121 16.297 -6.977 -10.188 1.00 33.42 C ATOM 414 O LEU A 121 17.428 -6.638 -9.844 1.00 54.12 O ATOM 415 CB LEU A 121 14.256 -6.922 -8.738 1.00 62.22 C ATOM 416 CG LEU A 121 13.159 -6.135 -7.995 1.00 24.31 C ATOM 417 CD1 LEU A 121 13.494 -4.655 -7.907 1.00 3.25 C ATOM 418 CD2 LEU A 121 11.798 -6.349 -8.637 1.00 52.22 C ATOM 0 H LEU A 121 13.325 -6.173 -10.945 1.00 32.10 H new ATOM 0 HA LEU A 121 15.402 -5.209 -9.344 1.00 43.13 H new ATOM 0 HB2 LEU A 121 13.787 -7.773 -9.232 1.00 62.22 H new ATOM 0 HB3 LEU A 121 14.946 -7.324 -7.997 1.00 62.22 H new ATOM 0 HG LEU A 121 13.115 -6.522 -6.977 1.00 24.31 H new ATOM 0 HD11 LEU A 121 12.698 -4.133 -7.377 1.00 3.25 H new ATOM 0 HD12 LEU A 121 14.433 -4.526 -7.370 1.00 3.25 H new ATOM 0 HD13 LEU A 121 13.591 -4.244 -8.912 1.00 3.25 H new ATOM 0 HD21 LEU A 121 11.045 -5.781 -8.091 1.00 52.22 H new ATOM 0 HD22 LEU A 121 11.827 -6.011 -9.673 1.00 52.22 H new ATOM 0 HD23 LEU A 121 11.545 -7.409 -8.608 1.00 52.22 H new ATOM 430 N ARG A 122 16.056 -8.047 -10.938 1.00 4.23 N ATOM 431 CA ARG A 122 17.116 -8.957 -11.356 1.00 40.22 C ATOM 432 C ARG A 122 18.235 -8.221 -12.080 1.00 75.24 C ATOM 433 O ARG A 122 19.398 -8.380 -11.732 1.00 31.43 O ATOM 434 CB ARG A 122 16.545 -10.049 -12.263 1.00 2.51 C ATOM 435 CG ARG A 122 17.600 -10.955 -12.884 1.00 51.11 C ATOM 436 CD ARG A 122 17.599 -12.338 -12.251 1.00 43.12 C ATOM 437 NE ARG A 122 16.282 -12.975 -12.313 1.00 40.44 N ATOM 438 CZ ARG A 122 16.089 -14.295 -12.284 1.00 13.32 C ATOM 439 NH1 ARG A 122 17.126 -15.122 -12.301 1.00 2.41 N ATOM 440 NH2 ARG A 122 14.857 -14.792 -12.266 1.00 41.14 N ATOM 0 H ARG A 122 15.128 -8.307 -11.271 1.00 4.23 H new ATOM 0 HA ARG A 122 17.536 -9.410 -10.458 1.00 40.22 H new ATOM 0 HB2 ARG A 122 15.851 -10.660 -11.686 1.00 2.51 H new ATOM 0 HB3 ARG A 122 15.969 -9.580 -13.061 1.00 2.51 H new ATOM 0 HG2 ARG A 122 17.417 -11.045 -13.955 1.00 51.11 H new ATOM 0 HG3 ARG A 122 18.584 -10.502 -12.766 1.00 51.11 H new ATOM 0 HD2 ARG A 122 18.329 -12.968 -12.758 1.00 43.12 H new ATOM 0 HD3 ARG A 122 17.914 -12.259 -11.210 1.00 43.12 H new ATOM 0 HE ARG A 122 15.462 -12.373 -12.383 1.00 40.44 H new ATOM 0 HH11 ARG A 122 18.075 -14.749 -12.336 1.00 2.41 H new ATOM 0 HH12 ARG A 122 16.975 -16.130 -12.279 1.00 2.41 H new ATOM 0 HH21 ARG A 122 14.053 -14.164 -12.274 1.00 41.14 H new ATOM 0 HH22 ARG A 122 14.715 -15.802 -12.244 1.00 41.14 H new ATOM 454 N ASP A 123 17.876 -7.398 -13.060 1.00 34.01 N ATOM 455 CA ASP A 123 18.870 -6.713 -13.889 1.00 55.30 C ATOM 456 C ASP A 123 19.787 -5.840 -13.042 1.00 31.04 C ATOM 457 O ASP A 123 20.955 -5.645 -13.376 1.00 34.11 O ATOM 458 CB ASP A 123 18.188 -5.862 -14.960 1.00 4.23 C ATOM 459 CG ASP A 123 19.181 -5.155 -15.861 1.00 24.10 C ATOM 460 OD1 ASP A 123 19.799 -5.827 -16.714 1.00 15.33 O ATOM 461 OD2 ASP A 123 19.340 -3.923 -15.733 1.00 2.05 O ATOM 0 H ASP A 123 16.908 -7.187 -13.302 1.00 34.01 H new ATOM 0 HA ASP A 123 19.474 -7.478 -14.376 1.00 55.30 H new ATOM 0 HB2 ASP A 123 17.541 -6.496 -15.566 1.00 4.23 H new ATOM 0 HB3 ASP A 123 17.549 -5.122 -14.479 1.00 4.23 H new ATOM 466 N TYR A 124 19.265 -5.328 -11.938 1.00 33.23 N ATOM 467 CA TYR A 124 20.063 -4.501 -11.053 1.00 0.13 C ATOM 468 C TYR A 124 20.854 -5.356 -10.066 1.00 15.02 C ATOM 469 O TYR A 124 22.055 -5.171 -9.900 1.00 63.43 O ATOM 470 CB TYR A 124 19.181 -3.506 -10.295 1.00 40.51 C ATOM 471 CG TYR A 124 19.966 -2.590 -9.382 1.00 41.41 C ATOM 472 CD1 TYR A 124 19.874 -2.705 -8.002 1.00 50.12 C ATOM 473 CD2 TYR A 124 20.807 -1.617 -9.904 1.00 22.10 C ATOM 474 CE1 TYR A 124 20.598 -1.875 -7.169 1.00 64.10 C ATOM 475 CE2 TYR A 124 21.532 -0.783 -9.076 1.00 53.32 C ATOM 476 CZ TYR A 124 21.425 -0.916 -7.710 1.00 3.52 C ATOM 477 OH TYR A 124 22.151 -0.090 -6.882 1.00 55.11 O ATOM 0 H TYR A 124 18.301 -5.470 -11.637 1.00 33.23 H new ATOM 0 HA TYR A 124 20.769 -3.944 -11.670 1.00 0.13 H new ATOM 0 HB2 TYR A 124 18.625 -2.903 -11.013 1.00 40.51 H new ATOM 0 HB3 TYR A 124 18.448 -4.056 -9.705 1.00 40.51 H new ATOM 0 HD1 TYR A 124 19.226 -3.455 -7.573 1.00 50.12 H new ATOM 0 HD2 TYR A 124 20.896 -1.510 -10.975 1.00 22.10 H new ATOM 0 HE1 TYR A 124 20.516 -1.978 -6.097 1.00 64.10 H new ATOM 0 HE2 TYR A 124 22.180 -0.029 -9.498 1.00 53.32 H new ATOM 0 HH TYR A 124 22.757 -0.629 -6.332 1.00 55.11 H new ATOM 487 N PHE A 125 20.188 -6.308 -9.433 1.00 45.43 N ATOM 488 CA PHE A 125 20.801 -7.071 -8.350 1.00 2.20 C ATOM 489 C PHE A 125 21.765 -8.145 -8.866 1.00 52.04 C ATOM 490 O PHE A 125 22.612 -8.635 -8.117 1.00 64.14 O ATOM 491 CB PHE A 125 19.720 -7.698 -7.465 1.00 31.35 C ATOM 492 CG PHE A 125 18.888 -6.685 -6.724 1.00 44.44 C ATOM 493 CD1 PHE A 125 17.512 -6.656 -6.873 1.00 1.02 C ATOM 494 CD2 PHE A 125 19.483 -5.753 -5.888 1.00 62.32 C ATOM 495 CE1 PHE A 125 16.742 -5.720 -6.204 1.00 14.31 C ATOM 496 CE2 PHE A 125 18.720 -4.816 -5.214 1.00 3.32 C ATOM 497 CZ PHE A 125 17.346 -4.800 -5.374 1.00 35.35 C ATOM 0 H PHE A 125 19.226 -6.573 -9.647 1.00 45.43 H new ATOM 0 HA PHE A 125 21.391 -6.373 -7.756 1.00 2.20 H new ATOM 0 HB2 PHE A 125 19.065 -8.311 -8.084 1.00 31.35 H new ATOM 0 HB3 PHE A 125 20.193 -8.365 -6.744 1.00 31.35 H new ATOM 0 HD1 PHE A 125 17.032 -7.374 -7.521 1.00 1.02 H new ATOM 0 HD2 PHE A 125 20.556 -5.758 -5.761 1.00 62.32 H new ATOM 0 HE1 PHE A 125 15.670 -5.711 -6.332 1.00 14.31 H new ATOM 0 HE2 PHE A 125 19.197 -4.098 -4.564 1.00 3.32 H new ATOM 0 HZ PHE A 125 16.748 -4.069 -4.850 1.00 35.35 H new ATOM 507 N GLU A 126 21.651 -8.502 -10.141 1.00 15.23 N ATOM 508 CA GLU A 126 22.518 -9.530 -10.726 1.00 12.35 C ATOM 509 C GLU A 126 23.981 -9.090 -10.742 1.00 3.33 C ATOM 510 O GLU A 126 24.888 -9.920 -10.759 1.00 35.35 O ATOM 511 CB GLU A 126 22.046 -9.895 -12.139 1.00 12.13 C ATOM 512 CG GLU A 126 22.123 -8.762 -13.155 1.00 43.42 C ATOM 513 CD GLU A 126 23.461 -8.701 -13.862 1.00 60.13 C ATOM 514 OE1 GLU A 126 23.773 -9.636 -14.628 1.00 54.13 O ATOM 515 OE2 GLU A 126 24.202 -7.720 -13.666 1.00 62.43 O ATOM 0 H GLU A 126 20.973 -8.101 -10.789 1.00 15.23 H new ATOM 0 HA GLU A 126 22.449 -10.417 -10.097 1.00 12.35 H new ATOM 0 HB2 GLU A 126 22.645 -10.730 -12.502 1.00 12.13 H new ATOM 0 HB3 GLU A 126 21.015 -10.243 -12.083 1.00 12.13 H new ATOM 0 HG2 GLU A 126 21.332 -8.888 -13.894 1.00 43.42 H new ATOM 0 HG3 GLU A 126 21.940 -7.814 -12.650 1.00 43.42 H new ATOM 522 N GLN A 127 24.210 -7.784 -10.735 1.00 21.23 N ATOM 523 CA GLN A 127 25.570 -7.255 -10.712 1.00 31.43 C ATOM 524 C GLN A 127 26.162 -7.386 -9.314 1.00 31.10 C ATOM 525 O GLN A 127 27.369 -7.252 -9.120 1.00 12.53 O ATOM 526 CB GLN A 127 25.589 -5.793 -11.159 1.00 24.22 C ATOM 527 CG GLN A 127 25.109 -4.820 -10.097 1.00 54.34 C ATOM 528 CD GLN A 127 24.820 -3.449 -10.657 1.00 5.43 C ATOM 529 OE1 GLN A 127 25.698 -2.590 -10.724 1.00 15.44 O ATOM 530 NE2 GLN A 127 23.579 -3.237 -11.051 1.00 30.40 N ATOM 0 H GLN A 127 23.478 -7.074 -10.745 1.00 21.23 H new ATOM 0 HA GLN A 127 26.176 -7.835 -11.408 1.00 31.43 H new ATOM 0 HB2 GLN A 127 26.605 -5.525 -11.451 1.00 24.22 H new ATOM 0 HB3 GLN A 127 24.964 -5.686 -12.045 1.00 24.22 H new ATOM 0 HG2 GLN A 127 24.208 -5.215 -9.628 1.00 54.34 H new ATOM 0 HG3 GLN A 127 25.865 -4.738 -9.316 1.00 54.34 H new ATOM 0 HE21 GLN A 127 22.886 -3.981 -10.975 1.00 30.40 H new ATOM 0 HE22 GLN A 127 23.313 -2.329 -11.431 1.00 30.40 H new ATOM 539 N TYR A 128 25.300 -7.644 -8.339 1.00 73.14 N ATOM 540 CA TYR A 128 25.736 -7.833 -6.968 1.00 51.14 C ATOM 541 C TYR A 128 26.095 -9.287 -6.725 1.00 2.52 C ATOM 542 O TYR A 128 26.894 -9.597 -5.840 1.00 64.12 O ATOM 543 CB TYR A 128 24.655 -7.387 -5.987 1.00 31.31 C ATOM 544 CG TYR A 128 24.466 -5.891 -5.933 1.00 30.22 C ATOM 545 CD1 TYR A 128 25.082 -5.139 -4.943 1.00 74.15 C ATOM 546 CD2 TYR A 128 23.679 -5.229 -6.867 1.00 5.23 C ATOM 547 CE1 TYR A 128 24.919 -3.771 -4.882 1.00 15.45 C ATOM 548 CE2 TYR A 128 23.511 -3.858 -6.814 1.00 14.13 C ATOM 549 CZ TYR A 128 24.134 -3.135 -5.819 1.00 65.41 C ATOM 550 OH TYR A 128 23.979 -1.769 -5.760 1.00 75.14 O ATOM 0 H TYR A 128 24.293 -7.727 -8.476 1.00 73.14 H new ATOM 0 HA TYR A 128 26.621 -7.218 -6.805 1.00 51.14 H new ATOM 0 HB2 TYR A 128 23.710 -7.854 -6.264 1.00 31.31 H new ATOM 0 HB3 TYR A 128 24.909 -7.749 -4.991 1.00 31.31 H new ATOM 0 HD1 TYR A 128 25.700 -5.633 -4.208 1.00 74.15 H new ATOM 0 HD2 TYR A 128 23.191 -5.795 -7.647 1.00 5.23 H new ATOM 0 HE1 TYR A 128 25.404 -3.201 -4.104 1.00 15.45 H new ATOM 0 HE2 TYR A 128 22.896 -3.357 -7.547 1.00 14.13 H new ATOM 0 HH TYR A 128 24.784 -1.365 -5.373 1.00 75.14 H new ATOM 560 N GLY A 129 25.501 -10.177 -7.508 1.00 31.20 N ATOM 561 CA GLY A 129 25.856 -11.572 -7.410 1.00 44.13 C ATOM 562 C GLY A 129 24.872 -12.499 -8.090 1.00 43.30 C ATOM 563 O GLY A 129 24.196 -12.120 -9.048 1.00 41.41 O ATOM 0 H GLY A 129 24.787 -9.958 -8.202 1.00 31.20 H new ATOM 0 HA2 GLY A 129 26.843 -11.718 -7.849 1.00 44.13 H new ATOM 0 HA3 GLY A 129 25.932 -11.846 -6.358 1.00 44.13 H new ATOM 567 N LYS A 130 24.786 -13.711 -7.568 1.00 54.23 N ATOM 568 CA LYS A 130 24.024 -14.777 -8.176 1.00 43.35 C ATOM 569 C LYS A 130 22.594 -14.805 -7.649 1.00 62.42 C ATOM 570 O LYS A 130 22.351 -15.035 -6.461 1.00 60.04 O ATOM 571 CB LYS A 130 24.743 -16.103 -7.902 1.00 61.31 C ATOM 572 CG LYS A 130 23.895 -17.334 -8.133 1.00 22.24 C ATOM 573 CD LYS A 130 23.491 -17.486 -9.580 1.00 44.52 C ATOM 574 CE LYS A 130 22.559 -18.666 -9.752 1.00 41.23 C ATOM 575 NZ LYS A 130 23.195 -19.951 -9.351 1.00 62.14 N ATOM 0 H LYS A 130 25.250 -13.981 -6.701 1.00 54.23 H new ATOM 0 HA LYS A 130 23.958 -14.612 -9.251 1.00 43.35 H new ATOM 0 HB2 LYS A 130 25.627 -16.161 -8.538 1.00 61.31 H new ATOM 0 HB3 LYS A 130 25.092 -16.106 -6.870 1.00 61.31 H new ATOM 0 HG2 LYS A 130 24.448 -18.219 -7.817 1.00 22.24 H new ATOM 0 HG3 LYS A 130 23.001 -17.279 -7.512 1.00 22.24 H new ATOM 0 HD2 LYS A 130 23.001 -16.575 -9.924 1.00 44.52 H new ATOM 0 HD3 LYS A 130 24.378 -17.623 -10.198 1.00 44.52 H new ATOM 0 HE2 LYS A 130 21.660 -18.506 -9.156 1.00 41.23 H new ATOM 0 HE3 LYS A 130 22.244 -18.729 -10.794 1.00 41.23 H new ATOM 0 HZ1 LYS A 130 22.712 -20.740 -9.826 1.00 62.14 H new ATOM 0 HZ2 LYS A 130 24.198 -19.943 -9.626 1.00 62.14 H new ATOM 0 HZ3 LYS A 130 23.120 -20.069 -8.320 1.00 62.14 H new ATOM 589 N ILE A 131 21.654 -14.583 -8.552 1.00 14.04 N ATOM 590 CA ILE A 131 20.245 -14.555 -8.210 1.00 1.40 C ATOM 591 C ILE A 131 19.579 -15.879 -8.563 1.00 21.31 C ATOM 592 O ILE A 131 19.860 -16.467 -9.607 1.00 2.14 O ATOM 593 CB ILE A 131 19.507 -13.422 -8.957 1.00 75.14 C ATOM 594 CG1 ILE A 131 20.217 -12.085 -8.743 1.00 3.53 C ATOM 595 CG2 ILE A 131 18.059 -13.334 -8.497 1.00 61.02 C ATOM 596 CD1 ILE A 131 19.534 -10.926 -9.432 1.00 3.03 C ATOM 0 H ILE A 131 21.847 -14.418 -9.540 1.00 14.04 H new ATOM 0 HA ILE A 131 20.181 -14.380 -7.136 1.00 1.40 H new ATOM 0 HB ILE A 131 19.518 -13.651 -10.023 1.00 75.14 H new ATOM 0 HG12 ILE A 131 20.275 -11.880 -7.674 1.00 3.53 H new ATOM 0 HG13 ILE A 131 21.241 -12.163 -9.108 1.00 3.53 H new ATOM 0 HG21 ILE A 131 17.555 -12.530 -9.034 1.00 61.02 H new ATOM 0 HG22 ILE A 131 17.555 -14.279 -8.700 1.00 61.02 H new ATOM 0 HG23 ILE A 131 18.029 -13.130 -7.427 1.00 61.02 H new ATOM 0 HD11 ILE A 131 20.090 -10.009 -9.239 1.00 3.03 H new ATOM 0 HD12 ILE A 131 19.500 -11.110 -10.506 1.00 3.03 H new ATOM 0 HD13 ILE A 131 18.519 -10.822 -9.049 1.00 3.03 H new ATOM 608 N GLU A 132 18.712 -16.346 -7.680 1.00 43.43 N ATOM 609 CA GLU A 132 17.891 -17.509 -7.955 1.00 61.30 C ATOM 610 C GLU A 132 16.663 -17.111 -8.766 1.00 2.03 C ATOM 611 O GLU A 132 16.600 -17.337 -9.973 1.00 34.11 O ATOM 612 CB GLU A 132 17.454 -18.172 -6.650 1.00 73.14 C ATOM 613 CG GLU A 132 18.528 -19.014 -6.008 1.00 11.41 C ATOM 614 CD GLU A 132 17.960 -20.016 -5.025 1.00 62.22 C ATOM 615 OE1 GLU A 132 17.983 -19.746 -3.809 1.00 12.33 O ATOM 616 OE2 GLU A 132 17.487 -21.084 -5.469 1.00 33.01 O ATOM 0 H GLU A 132 18.559 -15.932 -6.760 1.00 43.43 H new ATOM 0 HA GLU A 132 18.484 -18.219 -8.532 1.00 61.30 H new ATOM 0 HB2 GLU A 132 17.142 -17.400 -5.947 1.00 73.14 H new ATOM 0 HB3 GLU A 132 16.582 -18.797 -6.844 1.00 73.14 H new ATOM 0 HG2 GLU A 132 19.084 -19.543 -6.782 1.00 11.41 H new ATOM 0 HG3 GLU A 132 19.237 -18.365 -5.494 1.00 11.41 H new ATOM 623 N VAL A 133 15.706 -16.491 -8.090 1.00 11.45 N ATOM 624 CA VAL A 133 14.454 -16.083 -8.711 1.00 53.21 C ATOM 625 C VAL A 133 13.986 -14.758 -8.123 1.00 12.44 C ATOM 626 O VAL A 133 14.305 -14.431 -6.977 1.00 52.40 O ATOM 627 CB VAL A 133 13.335 -17.138 -8.511 1.00 60.14 C ATOM 628 CG1 VAL A 133 13.644 -18.422 -9.266 1.00 71.54 C ATOM 629 CG2 VAL A 133 13.123 -17.427 -7.030 1.00 42.50 C ATOM 0 H VAL A 133 15.775 -16.257 -7.100 1.00 11.45 H new ATOM 0 HA VAL A 133 14.646 -15.980 -9.779 1.00 53.21 H new ATOM 0 HB VAL A 133 12.413 -16.723 -8.918 1.00 60.14 H new ATOM 0 HG11 VAL A 133 12.841 -19.141 -9.105 1.00 71.54 H new ATOM 0 HG12 VAL A 133 13.730 -18.206 -10.331 1.00 71.54 H new ATOM 0 HG13 VAL A 133 14.583 -18.840 -8.903 1.00 71.54 H new ATOM 0 HG21 VAL A 133 12.334 -18.170 -6.914 1.00 42.50 H new ATOM 0 HG22 VAL A 133 14.048 -17.810 -6.598 1.00 42.50 H new ATOM 0 HG23 VAL A 133 12.836 -16.509 -6.518 1.00 42.50 H new ATOM 639 N ILE A 134 13.242 -13.995 -8.906 1.00 33.30 N ATOM 640 CA ILE A 134 12.654 -12.763 -8.413 1.00 10.33 C ATOM 641 C ILE A 134 11.191 -13.012 -8.086 1.00 62.21 C ATOM 642 O ILE A 134 10.495 -13.711 -8.825 1.00 60.35 O ATOM 643 CB ILE A 134 12.758 -11.611 -9.435 1.00 4.41 C ATOM 644 CG1 ILE A 134 14.169 -11.526 -10.022 1.00 70.13 C ATOM 645 CG2 ILE A 134 12.376 -10.288 -8.785 1.00 72.13 C ATOM 646 CD1 ILE A 134 15.243 -11.278 -8.997 1.00 25.33 C ATOM 0 H ILE A 134 13.032 -14.206 -9.881 1.00 33.30 H new ATOM 0 HA ILE A 134 13.208 -12.462 -7.524 1.00 10.33 H new ATOM 0 HB ILE A 134 12.062 -11.816 -10.248 1.00 4.41 H new ATOM 0 HG12 ILE A 134 14.390 -12.455 -10.547 1.00 70.13 H new ATOM 0 HG13 ILE A 134 14.196 -10.727 -10.763 1.00 70.13 H new ATOM 0 HG21 ILE A 134 12.455 -9.486 -9.519 1.00 72.13 H new ATOM 0 HG22 ILE A 134 11.351 -10.345 -8.418 1.00 72.13 H new ATOM 0 HG23 ILE A 134 13.049 -10.084 -7.952 1.00 72.13 H new ATOM 0 HD11 ILE A 134 16.213 -11.231 -9.491 1.00 25.33 H new ATOM 0 HD12 ILE A 134 15.049 -10.334 -8.488 1.00 25.33 H new ATOM 0 HD13 ILE A 134 15.246 -12.089 -8.269 1.00 25.33 H new ATOM 658 N GLU A 135 10.733 -12.470 -6.975 1.00 34.24 N ATOM 659 CA GLU A 135 9.364 -12.670 -6.551 1.00 71.55 C ATOM 660 C GLU A 135 8.618 -11.346 -6.497 1.00 72.33 C ATOM 661 O GLU A 135 8.750 -10.587 -5.538 1.00 54.44 O ATOM 662 CB GLU A 135 9.322 -13.352 -5.182 1.00 21.22 C ATOM 663 CG GLU A 135 9.970 -14.727 -5.168 1.00 13.44 C ATOM 664 CD GLU A 135 9.852 -15.410 -3.824 1.00 2.43 C ATOM 665 OE1 GLU A 135 10.874 -15.533 -3.121 1.00 53.15 O ATOM 666 OE2 GLU A 135 8.734 -15.833 -3.467 1.00 52.21 O ATOM 0 H GLU A 135 11.290 -11.887 -6.350 1.00 34.24 H new ATOM 0 HA GLU A 135 8.874 -13.315 -7.281 1.00 71.55 H new ATOM 0 HB2 GLU A 135 9.823 -12.716 -4.453 1.00 21.22 H new ATOM 0 HB3 GLU A 135 8.284 -13.445 -4.863 1.00 21.22 H new ATOM 0 HG2 GLU A 135 9.506 -15.352 -5.931 1.00 13.44 H new ATOM 0 HG3 GLU A 135 11.023 -14.631 -5.432 1.00 13.44 H new ATOM 673 N ILE A 136 7.869 -11.054 -7.548 1.00 64.11 N ATOM 674 CA ILE A 136 6.985 -9.902 -7.547 1.00 31.14 C ATOM 675 C ILE A 136 5.766 -10.245 -6.711 1.00 2.15 C ATOM 676 O ILE A 136 4.917 -11.026 -7.146 1.00 52.13 O ATOM 677 CB ILE A 136 6.517 -9.523 -8.967 1.00 21.24 C ATOM 678 CG1 ILE A 136 7.663 -9.638 -9.972 1.00 20.05 C ATOM 679 CG2 ILE A 136 5.961 -8.106 -8.968 1.00 53.34 C ATOM 680 CD1 ILE A 136 7.207 -9.540 -11.412 1.00 71.42 C ATOM 0 H ILE A 136 7.856 -11.598 -8.411 1.00 64.11 H new ATOM 0 HA ILE A 136 7.532 -9.052 -7.140 1.00 31.14 H new ATOM 0 HB ILE A 136 5.733 -10.218 -9.266 1.00 21.24 H new ATOM 0 HG12 ILE A 136 8.391 -8.851 -9.774 1.00 20.05 H new ATOM 0 HG13 ILE A 136 8.173 -10.590 -9.824 1.00 20.05 H new ATOM 0 HG21 ILE A 136 5.632 -7.845 -9.974 1.00 53.34 H new ATOM 0 HG22 ILE A 136 5.115 -8.047 -8.283 1.00 53.34 H new ATOM 0 HG23 ILE A 136 6.737 -7.411 -8.648 1.00 53.34 H new ATOM 0 HD11 ILE A 136 8.069 -9.629 -12.073 1.00 71.42 H new ATOM 0 HD12 ILE A 136 6.501 -10.343 -11.626 1.00 71.42 H new ATOM 0 HD13 ILE A 136 6.722 -8.578 -11.575 1.00 71.42 H new ATOM 692 N MET A 137 5.681 -9.699 -5.513 1.00 11.02 N ATOM 693 CA MET A 137 4.646 -10.120 -4.594 1.00 41.13 C ATOM 694 C MET A 137 3.317 -9.459 -4.920 1.00 53.32 C ATOM 695 O MET A 137 3.061 -8.303 -4.570 1.00 11.10 O ATOM 696 CB MET A 137 5.042 -9.852 -3.148 1.00 41.53 C ATOM 697 CG MET A 137 4.232 -10.679 -2.168 1.00 51.15 C ATOM 698 SD MET A 137 4.364 -12.445 -2.511 1.00 13.31 S ATOM 699 CE MET A 137 3.157 -13.104 -1.372 1.00 20.11 C ATOM 0 H MET A 137 6.306 -8.975 -5.159 1.00 11.02 H new ATOM 0 HA MET A 137 4.526 -11.197 -4.713 1.00 41.13 H new ATOM 0 HB2 MET A 137 6.102 -10.072 -3.017 1.00 41.53 H new ATOM 0 HB3 MET A 137 4.906 -8.793 -2.926 1.00 41.53 H new ATOM 0 HG2 MET A 137 4.576 -10.479 -1.153 1.00 51.15 H new ATOM 0 HG3 MET A 137 3.186 -10.377 -2.215 1.00 51.15 H new ATOM 0 HE1 MET A 137 3.122 -14.189 -1.466 1.00 20.11 H new ATOM 0 HE2 MET A 137 3.435 -12.837 -0.352 1.00 20.11 H new ATOM 0 HE3 MET A 137 2.176 -12.689 -1.601 1.00 20.11 H new ATOM 859 N PHE A 148 5.301 -4.304 -2.987 1.00 23.25 N ATOM 860 CA PHE A 148 6.604 -4.816 -2.582 1.00 41.44 C ATOM 861 C PHE A 148 6.980 -6.080 -3.348 1.00 13.23 C ATOM 862 O PHE A 148 6.117 -6.852 -3.772 1.00 54.52 O ATOM 863 CB PHE A 148 6.638 -5.071 -1.068 1.00 5.54 C ATOM 864 CG PHE A 148 5.564 -5.997 -0.557 1.00 31.42 C ATOM 865 CD1 PHE A 148 5.835 -7.336 -0.327 1.00 60.32 C ATOM 866 CD2 PHE A 148 4.286 -5.524 -0.293 1.00 54.52 C ATOM 867 CE1 PHE A 148 4.856 -8.186 0.153 1.00 52.11 C ATOM 868 CE2 PHE A 148 3.304 -6.370 0.184 1.00 13.53 C ATOM 869 CZ PHE A 148 3.589 -7.702 0.408 1.00 72.42 C ATOM 0 HA PHE A 148 7.344 -4.054 -2.826 1.00 41.44 H new ATOM 0 HB2 PHE A 148 7.611 -5.487 -0.806 1.00 5.54 H new ATOM 0 HB3 PHE A 148 6.550 -4.115 -0.551 1.00 5.54 H new ATOM 0 HD1 PHE A 148 6.824 -7.721 -0.525 1.00 60.32 H new ATOM 0 HD2 PHE A 148 4.057 -4.482 -0.463 1.00 54.52 H new ATOM 0 HE1 PHE A 148 5.082 -9.227 0.328 1.00 52.11 H new ATOM 0 HE2 PHE A 148 2.313 -5.989 0.382 1.00 13.53 H new ATOM 0 HZ PHE A 148 2.822 -8.364 0.782 1.00 72.42 H new ATOM 879 N ALA A 149 8.279 -6.274 -3.527 1.00 43.21 N ATOM 880 CA ALA A 149 8.795 -7.441 -4.223 1.00 4.22 C ATOM 881 C ALA A 149 9.977 -8.031 -3.461 1.00 52.42 C ATOM 882 O ALA A 149 10.462 -7.436 -2.497 1.00 54.41 O ATOM 883 CB ALA A 149 9.201 -7.080 -5.647 1.00 41.31 C ATOM 0 H ALA A 149 8.999 -5.632 -3.196 1.00 43.21 H new ATOM 0 HA ALA A 149 8.006 -8.191 -4.274 1.00 4.22 H new ATOM 0 HB1 ALA A 149 9.585 -7.967 -6.152 1.00 41.31 H new ATOM 0 HB2 ALA A 149 8.334 -6.701 -6.188 1.00 41.31 H new ATOM 0 HB3 ALA A 149 9.975 -6.313 -5.621 1.00 41.31 H new ATOM 889 N PHE A 150 10.436 -9.193 -3.897 1.00 42.23 N ATOM 890 CA PHE A 150 11.535 -9.886 -3.236 1.00 62.33 C ATOM 891 C PHE A 150 12.504 -10.431 -4.268 1.00 10.42 C ATOM 892 O PHE A 150 12.119 -10.729 -5.398 1.00 73.33 O ATOM 893 CB PHE A 150 11.017 -11.048 -2.380 1.00 71.45 C ATOM 894 CG PHE A 150 9.970 -10.659 -1.378 1.00 22.33 C ATOM 895 CD1 PHE A 150 8.630 -10.903 -1.633 1.00 65.25 C ATOM 896 CD2 PHE A 150 10.322 -10.050 -0.186 1.00 12.23 C ATOM 897 CE1 PHE A 150 7.662 -10.545 -0.718 1.00 41.33 C ATOM 898 CE2 PHE A 150 9.357 -9.691 0.734 1.00 51.03 C ATOM 899 CZ PHE A 150 8.025 -9.939 0.466 1.00 43.11 C ATOM 0 H PHE A 150 10.063 -9.681 -4.711 1.00 42.23 H new ATOM 0 HA PHE A 150 12.042 -9.168 -2.592 1.00 62.33 H new ATOM 0 HB2 PHE A 150 10.606 -11.814 -3.038 1.00 71.45 H new ATOM 0 HB3 PHE A 150 11.858 -11.498 -1.853 1.00 71.45 H new ATOM 0 HD1 PHE A 150 8.340 -11.379 -2.558 1.00 65.25 H new ATOM 0 HD2 PHE A 150 11.362 -9.854 0.027 1.00 12.23 H new ATOM 0 HE1 PHE A 150 6.621 -10.739 -0.929 1.00 41.33 H new ATOM 0 HE2 PHE A 150 9.643 -9.217 1.661 1.00 51.03 H new ATOM 0 HZ PHE A 150 7.268 -9.658 1.184 1.00 43.11 H new ATOM 909 N VAL A 151 13.757 -10.558 -3.878 1.00 71.43 N ATOM 910 CA VAL A 151 14.771 -11.122 -4.750 1.00 31.15 C ATOM 911 C VAL A 151 15.516 -12.233 -4.026 1.00 41.24 C ATOM 912 O VAL A 151 16.248 -11.979 -3.070 1.00 3.33 O ATOM 913 CB VAL A 151 15.773 -10.046 -5.225 1.00 24.13 C ATOM 914 CG1 VAL A 151 16.810 -10.639 -6.167 1.00 71.02 C ATOM 915 CG2 VAL A 151 15.039 -8.898 -5.898 1.00 20.05 C ATOM 0 H VAL A 151 14.099 -10.277 -2.959 1.00 71.43 H new ATOM 0 HA VAL A 151 14.269 -11.527 -5.629 1.00 31.15 H new ATOM 0 HB VAL A 151 16.295 -9.662 -4.349 1.00 24.13 H new ATOM 0 HG11 VAL A 151 17.501 -9.859 -6.485 1.00 71.02 H new ATOM 0 HG12 VAL A 151 17.362 -11.425 -5.652 1.00 71.02 H new ATOM 0 HG13 VAL A 151 16.311 -11.059 -7.040 1.00 71.02 H new ATOM 0 HG21 VAL A 151 15.759 -8.149 -6.227 1.00 20.05 H new ATOM 0 HG22 VAL A 151 14.488 -9.274 -6.760 1.00 20.05 H new ATOM 0 HG23 VAL A 151 14.343 -8.447 -5.191 1.00 20.05 H new ATOM 925 N THR A 152 15.298 -13.463 -4.465 1.00 4.31 N ATOM 926 CA THR A 152 15.958 -14.613 -3.876 1.00 1.42 C ATOM 927 C THR A 152 17.316 -14.829 -4.531 1.00 10.32 C ATOM 928 O THR A 152 17.413 -14.942 -5.750 1.00 2.24 O ATOM 929 CB THR A 152 15.104 -15.890 -4.031 1.00 62.23 C ATOM 930 OG1 THR A 152 13.854 -15.737 -3.349 1.00 73.42 O ATOM 931 CG2 THR A 152 15.834 -17.107 -3.484 1.00 61.52 C ATOM 0 H THR A 152 14.665 -13.689 -5.232 1.00 4.31 H new ATOM 0 HA THR A 152 16.090 -14.413 -2.813 1.00 1.42 H new ATOM 0 HB THR A 152 14.922 -16.042 -5.095 1.00 62.23 H new ATOM 0 HG1 THR A 152 13.321 -16.552 -3.456 1.00 73.42 H new ATOM 0 HG21 THR A 152 15.209 -17.992 -3.606 1.00 61.52 H new ATOM 0 HG22 THR A 152 16.769 -17.245 -4.027 1.00 61.52 H new ATOM 0 HG23 THR A 152 16.048 -16.958 -2.426 1.00 61.52 H new ATOM 939 N PHE A 153 18.358 -14.875 -3.723 1.00 32.23 N ATOM 940 CA PHE A 153 19.700 -15.078 -4.230 1.00 43.03 C ATOM 941 C PHE A 153 20.173 -16.487 -3.922 1.00 1.43 C ATOM 942 O PHE A 153 19.809 -17.066 -2.898 1.00 51.23 O ATOM 943 CB PHE A 153 20.671 -14.060 -3.630 1.00 35.14 C ATOM 944 CG PHE A 153 20.377 -12.641 -4.022 1.00 51.51 C ATOM 945 CD1 PHE A 153 20.949 -12.091 -5.157 1.00 64.43 C ATOM 946 CD2 PHE A 153 19.530 -11.858 -3.257 1.00 1.11 C ATOM 947 CE1 PHE A 153 20.683 -10.788 -5.519 1.00 30.20 C ATOM 948 CE2 PHE A 153 19.262 -10.556 -3.616 1.00 41.22 C ATOM 949 CZ PHE A 153 19.837 -10.019 -4.748 1.00 42.22 C ATOM 0 H PHE A 153 18.300 -14.774 -2.710 1.00 32.23 H new ATOM 0 HA PHE A 153 19.677 -14.938 -5.311 1.00 43.03 H new ATOM 0 HB2 PHE A 153 20.642 -14.141 -2.543 1.00 35.14 H new ATOM 0 HB3 PHE A 153 21.685 -14.311 -3.942 1.00 35.14 H new ATOM 0 HD1 PHE A 153 21.611 -12.690 -5.765 1.00 64.43 H new ATOM 0 HD2 PHE A 153 19.075 -12.272 -2.370 1.00 1.11 H new ATOM 0 HE1 PHE A 153 21.137 -10.370 -6.405 1.00 30.20 H new ATOM 0 HE2 PHE A 153 18.600 -9.955 -3.010 1.00 41.22 H new ATOM 0 HZ PHE A 153 19.625 -8.998 -5.030 1.00 42.22 H new ATOM 959 N ASP A 154 20.975 -17.033 -4.819 1.00 71.44 N ATOM 960 CA ASP A 154 21.518 -18.374 -4.647 1.00 53.14 C ATOM 961 C ASP A 154 22.680 -18.333 -3.666 1.00 73.23 C ATOM 962 O ASP A 154 23.074 -19.348 -3.092 1.00 34.54 O ATOM 963 CB ASP A 154 21.997 -18.928 -5.989 1.00 14.22 C ATOM 964 CG ASP A 154 22.193 -20.429 -5.974 1.00 2.04 C ATOM 965 OD1 ASP A 154 23.151 -20.906 -6.617 1.00 2.14 O ATOM 966 OD2 ASP A 154 21.389 -21.135 -5.330 1.00 63.12 O ATOM 0 H ASP A 154 21.267 -16.568 -5.679 1.00 71.44 H new ATOM 0 HA ASP A 154 20.735 -19.024 -4.257 1.00 53.14 H new ATOM 0 HB2 ASP A 154 21.273 -18.670 -6.762 1.00 14.22 H new ATOM 0 HB3 ASP A 154 22.937 -18.447 -6.259 1.00 14.22 H new ATOM 971 N ASP A 155 23.220 -17.139 -3.481 1.00 41.15 N ATOM 972 CA ASP A 155 24.352 -16.939 -2.595 1.00 31.03 C ATOM 973 C ASP A 155 24.052 -15.813 -1.631 1.00 0.34 C ATOM 974 O ASP A 155 23.593 -14.744 -2.037 1.00 34.14 O ATOM 975 CB ASP A 155 25.605 -16.587 -3.399 1.00 51.12 C ATOM 976 CG ASP A 155 26.890 -16.870 -2.651 1.00 22.25 C ATOM 977 OD1 ASP A 155 27.845 -17.361 -3.284 1.00 52.12 O ATOM 978 OD2 ASP A 155 26.949 -16.620 -1.433 1.00 0.32 O ATOM 0 H ASP A 155 22.889 -16.289 -3.937 1.00 41.15 H new ATOM 0 HA ASP A 155 24.528 -17.863 -2.044 1.00 31.03 H new ATOM 0 HB2 ASP A 155 25.602 -17.152 -4.331 1.00 51.12 H new ATOM 0 HB3 ASP A 155 25.573 -15.531 -3.667 1.00 51.12 H new ATOM 983 N HIS A 156 24.320 -16.047 -0.360 1.00 44.13 N ATOM 984 CA HIS A 156 24.116 -15.023 0.645 1.00 11.44 C ATOM 985 C HIS A 156 25.200 -13.955 0.546 1.00 1.40 C ATOM 986 O HIS A 156 25.069 -12.869 1.111 1.00 55.41 O ATOM 987 CB HIS A 156 24.075 -15.632 2.053 1.00 53.44 C ATOM 988 CG HIS A 156 25.308 -16.384 2.469 1.00 44.13 C ATOM 989 ND1 HIS A 156 26.599 -15.976 2.526 1.00 13.43 N flip ATOM 990 CD2 HIS A 156 25.225 -17.665 2.953 1.00 12.35 C flip ATOM 991 CE1 HIS A 156 27.322 -17.009 3.058 1.00 42.41 C flip ATOM 992 NE2 HIS A 156 26.455 -18.001 3.299 1.00 11.04 N flip ATOM 0 H HIS A 156 24.677 -16.932 -0.001 1.00 44.13 H new ATOM 0 HA HIS A 156 23.151 -14.551 0.459 1.00 11.44 H new ATOM 0 HB2 HIS A 156 23.899 -14.831 2.771 1.00 53.44 H new ATOM 0 HB3 HIS A 156 23.221 -16.307 2.113 1.00 53.44 H new ATOM 0 HD2 HIS A 156 24.337 -18.274 3.034 1.00 12.35 H new ATOM 0 HE1 HIS A 156 28.385 -17.022 3.247 1.00 42.41 H new ATOM 0 HE2 HIS A 156 26.712 -18.903 3.700 1.00 11.04 H new ATOM 1000 N ASP A 157 26.264 -14.262 -0.192 1.00 54.41 N ATOM 1001 CA ASP A 157 27.359 -13.320 -0.379 1.00 3.30 C ATOM 1002 C ASP A 157 26.881 -12.118 -1.178 1.00 25.23 C ATOM 1003 O ASP A 157 27.212 -10.972 -0.867 1.00 64.13 O ATOM 1004 CB ASP A 157 28.530 -13.994 -1.097 1.00 14.10 C ATOM 1005 CG ASP A 157 29.659 -13.032 -1.405 1.00 1.52 C ATOM 1006 OD1 ASP A 157 29.746 -12.557 -2.556 1.00 63.42 O ATOM 1007 OD2 ASP A 157 30.466 -12.748 -0.496 1.00 23.53 O ATOM 0 H ASP A 157 26.389 -15.155 -0.669 1.00 54.41 H new ATOM 0 HA ASP A 157 27.699 -12.984 0.601 1.00 3.30 H new ATOM 0 HB2 ASP A 157 28.910 -14.808 -0.479 1.00 14.10 H new ATOM 0 HB3 ASP A 157 28.174 -14.439 -2.026 1.00 14.10 H new ATOM 1012 N SER A 158 26.071 -12.394 -2.193 1.00 22.23 N ATOM 1013 CA SER A 158 25.532 -11.359 -3.064 1.00 52.15 C ATOM 1014 C SER A 158 24.568 -10.451 -2.303 1.00 22.11 C ATOM 1015 O SER A 158 24.425 -9.269 -2.620 1.00 20.23 O ATOM 1016 CB SER A 158 24.809 -12.027 -4.231 1.00 12.53 C ATOM 1017 OG SER A 158 25.584 -13.095 -4.756 1.00 24.10 O ATOM 0 H SER A 158 25.771 -13.338 -2.434 1.00 22.23 H new ATOM 0 HA SER A 158 26.351 -10.742 -3.434 1.00 52.15 H new ATOM 0 HB2 SER A 158 23.841 -12.402 -3.899 1.00 12.53 H new ATOM 0 HB3 SER A 158 24.615 -11.293 -5.013 1.00 12.53 H new ATOM 0 HG SER A 158 26.533 -12.853 -4.732 1.00 24.10 H new ATOM 1023 N VAL A 159 23.934 -11.011 -1.285 1.00 22.04 N ATOM 1024 CA VAL A 159 22.923 -10.299 -0.518 1.00 55.10 C ATOM 1025 C VAL A 159 23.555 -9.233 0.374 1.00 20.01 C ATOM 1026 O VAL A 159 22.987 -8.157 0.569 1.00 62.04 O ATOM 1027 CB VAL A 159 22.115 -11.280 0.360 1.00 30.25 C ATOM 1028 CG1 VAL A 159 20.917 -10.598 0.993 1.00 43.41 C ATOM 1029 CG2 VAL A 159 21.677 -12.489 -0.450 1.00 52.01 C ATOM 0 H VAL A 159 24.104 -11.966 -0.968 1.00 22.04 H new ATOM 0 HA VAL A 159 22.256 -9.814 -1.230 1.00 55.10 H new ATOM 0 HB VAL A 159 22.767 -11.620 1.164 1.00 30.25 H new ATOM 0 HG11 VAL A 159 20.370 -11.316 1.604 1.00 43.41 H new ATOM 0 HG12 VAL A 159 21.257 -9.773 1.619 1.00 43.41 H new ATOM 0 HG13 VAL A 159 20.262 -10.214 0.211 1.00 43.41 H new ATOM 0 HG21 VAL A 159 21.109 -13.167 0.187 1.00 52.01 H new ATOM 0 HG22 VAL A 159 21.052 -12.163 -1.281 1.00 52.01 H new ATOM 0 HG23 VAL A 159 22.555 -13.005 -0.838 1.00 52.01 H new ATOM 1039 N ASP A 160 24.744 -9.533 0.892 1.00 4.23 N ATOM 1040 CA ASP A 160 25.415 -8.658 1.857 1.00 71.13 C ATOM 1041 C ASP A 160 25.612 -7.248 1.306 1.00 22.44 C ATOM 1042 O ASP A 160 25.212 -6.275 1.941 1.00 51.34 O ATOM 1043 CB ASP A 160 26.764 -9.251 2.277 1.00 14.23 C ATOM 1044 CG ASP A 160 27.462 -8.416 3.339 1.00 34.53 C ATOM 1045 OD1 ASP A 160 28.423 -7.693 2.997 1.00 43.11 O ATOM 1046 OD2 ASP A 160 27.058 -8.487 4.521 1.00 64.11 O ATOM 0 H ASP A 160 25.266 -10.378 0.660 1.00 4.23 H new ATOM 0 HA ASP A 160 24.768 -8.587 2.731 1.00 71.13 H new ATOM 0 HB2 ASP A 160 26.611 -10.261 2.656 1.00 14.23 H new ATOM 0 HB3 ASP A 160 27.409 -9.333 1.402 1.00 14.23 H new ATOM 1051 N LYS A 161 26.188 -7.138 0.109 1.00 62.01 N ATOM 1052 CA LYS A 161 26.455 -5.825 -0.492 1.00 13.21 C ATOM 1053 C LYS A 161 25.169 -5.069 -0.807 1.00 43.24 C ATOM 1054 O LYS A 161 25.194 -3.870 -1.075 1.00 62.53 O ATOM 1055 CB LYS A 161 27.296 -5.929 -1.772 1.00 21.41 C ATOM 1056 CG LYS A 161 27.207 -7.248 -2.517 1.00 70.24 C ATOM 1057 CD LYS A 161 28.303 -8.205 -2.083 1.00 33.41 C ATOM 1058 CE LYS A 161 28.612 -9.218 -3.170 1.00 40.13 C ATOM 1059 NZ LYS A 161 29.257 -8.587 -4.356 1.00 5.02 N ATOM 0 H LYS A 161 26.478 -7.932 -0.462 1.00 62.01 H new ATOM 0 HA LYS A 161 27.022 -5.272 0.257 1.00 13.21 H new ATOM 0 HB2 LYS A 161 26.993 -5.130 -2.449 1.00 21.41 H new ATOM 0 HB3 LYS A 161 28.340 -5.749 -1.514 1.00 21.41 H new ATOM 0 HG2 LYS A 161 26.233 -7.703 -2.339 1.00 70.24 H new ATOM 0 HG3 LYS A 161 27.283 -7.068 -3.589 1.00 70.24 H new ATOM 0 HD2 LYS A 161 29.205 -7.643 -1.840 1.00 33.41 H new ATOM 0 HD3 LYS A 161 27.997 -8.725 -1.175 1.00 33.41 H new ATOM 0 HE2 LYS A 161 29.268 -9.991 -2.769 1.00 40.13 H new ATOM 0 HE3 LYS A 161 27.690 -9.711 -3.478 1.00 40.13 H new ATOM 0 HZ1 LYS A 161 28.656 -8.727 -5.193 1.00 5.02 H new ATOM 0 HZ2 LYS A 161 29.379 -7.569 -4.184 1.00 5.02 H new ATOM 0 HZ3 LYS A 161 30.186 -9.025 -4.520 1.00 5.02 H new ATOM 1073 N ILE A 162 24.053 -5.767 -0.781 1.00 12.30 N ATOM 1074 CA ILE A 162 22.771 -5.148 -1.056 1.00 15.13 C ATOM 1075 C ILE A 162 22.096 -4.701 0.232 1.00 45.45 C ATOM 1076 O ILE A 162 21.649 -3.564 0.342 1.00 51.35 O ATOM 1077 CB ILE A 162 21.848 -6.113 -1.816 1.00 13.13 C ATOM 1078 CG1 ILE A 162 22.478 -6.480 -3.155 1.00 53.32 C ATOM 1079 CG2 ILE A 162 20.473 -5.493 -2.022 1.00 72.03 C ATOM 1080 CD1 ILE A 162 21.738 -7.564 -3.896 1.00 31.23 C ATOM 0 H ILE A 162 24.006 -6.764 -0.572 1.00 12.30 H new ATOM 0 HA ILE A 162 22.955 -4.273 -1.679 1.00 15.13 H new ATOM 0 HB ILE A 162 21.722 -7.019 -1.224 1.00 13.13 H new ATOM 0 HG12 ILE A 162 22.523 -5.589 -3.782 1.00 53.32 H new ATOM 0 HG13 ILE A 162 23.505 -6.803 -2.987 1.00 53.32 H new ATOM 0 HG21 ILE A 162 19.835 -6.193 -2.562 1.00 72.03 H new ATOM 0 HG22 ILE A 162 20.026 -5.268 -1.053 1.00 72.03 H new ATOM 0 HG23 ILE A 162 20.571 -4.573 -2.598 1.00 72.03 H new ATOM 0 HD11 ILE A 162 22.245 -7.771 -4.839 1.00 31.23 H new ATOM 0 HD12 ILE A 162 21.716 -8.469 -3.289 1.00 31.23 H new ATOM 0 HD13 ILE A 162 20.718 -7.236 -4.097 1.00 31.23 H new ATOM 1092 N VAL A 163 22.053 -5.591 1.214 1.00 33.41 N ATOM 1093 CA VAL A 163 21.347 -5.323 2.461 1.00 61.23 C ATOM 1094 C VAL A 163 22.046 -4.255 3.308 1.00 32.40 C ATOM 1095 O VAL A 163 21.428 -3.666 4.193 1.00 21.24 O ATOM 1096 CB VAL A 163 21.179 -6.605 3.306 1.00 53.03 C ATOM 1097 CG1 VAL A 163 20.343 -7.632 2.563 1.00 24.33 C ATOM 1098 CG2 VAL A 163 22.532 -7.190 3.683 1.00 1.50 C ATOM 0 H VAL A 163 22.500 -6.507 1.172 1.00 33.41 H new ATOM 0 HA VAL A 163 20.365 -4.949 2.172 1.00 61.23 H new ATOM 0 HB VAL A 163 20.658 -6.336 4.225 1.00 53.03 H new ATOM 0 HG11 VAL A 163 20.237 -8.527 3.176 1.00 24.33 H new ATOM 0 HG12 VAL A 163 19.357 -7.216 2.354 1.00 24.33 H new ATOM 0 HG13 VAL A 163 20.834 -7.891 1.625 1.00 24.33 H new ATOM 0 HG21 VAL A 163 22.386 -8.092 4.278 1.00 1.50 H new ATOM 0 HG22 VAL A 163 23.086 -7.438 2.778 1.00 1.50 H new ATOM 0 HG23 VAL A 163 23.095 -6.460 4.264 1.00 1.50 H new ATOM 1108 N ILE A 164 23.328 -4.013 3.045 1.00 13.11 N ATOM 1109 CA ILE A 164 24.086 -3.026 3.813 1.00 42.55 C ATOM 1110 C ILE A 164 23.582 -1.608 3.555 1.00 51.22 C ATOM 1111 O ILE A 164 23.638 -0.751 4.434 1.00 33.41 O ATOM 1112 CB ILE A 164 25.607 -3.108 3.534 1.00 31.43 C ATOM 1113 CG1 ILE A 164 25.909 -3.098 2.029 1.00 30.15 C ATOM 1114 CG2 ILE A 164 26.197 -4.348 4.183 1.00 63.34 C ATOM 1115 CD1 ILE A 164 26.136 -1.718 1.448 1.00 43.15 C ATOM 0 H ILE A 164 23.861 -4.482 2.313 1.00 13.11 H new ATOM 0 HA ILE A 164 23.925 -3.267 4.864 1.00 42.55 H new ATOM 0 HB ILE A 164 26.071 -2.223 3.970 1.00 31.43 H new ATOM 0 HG12 ILE A 164 26.794 -3.707 1.844 1.00 30.15 H new ATOM 0 HG13 ILE A 164 25.080 -3.570 1.501 1.00 30.15 H new ATOM 0 HG21 ILE A 164 27.267 -4.392 3.978 1.00 63.34 H new ATOM 0 HG22 ILE A 164 26.035 -4.307 5.260 1.00 63.34 H new ATOM 0 HG23 ILE A 164 25.713 -5.236 3.777 1.00 63.34 H new ATOM 0 HD11 ILE A 164 26.343 -1.802 0.381 1.00 43.15 H new ATOM 0 HD12 ILE A 164 25.245 -1.109 1.598 1.00 43.15 H new ATOM 0 HD13 ILE A 164 26.984 -1.249 1.946 1.00 43.15 H new ATOM 1127 N GLN A 165 23.079 -1.372 2.354 1.00 30.30 N ATOM 1128 CA GLN A 165 22.527 -0.071 2.006 1.00 34.34 C ATOM 1129 C GLN A 165 21.027 -0.182 1.776 1.00 53.13 C ATOM 1130 O GLN A 165 20.537 -1.201 1.298 1.00 74.35 O ATOM 1131 CB GLN A 165 23.217 0.515 0.769 1.00 62.12 C ATOM 1132 CG GLN A 165 23.231 -0.414 -0.434 1.00 40.21 C ATOM 1133 CD GLN A 165 23.754 0.258 -1.690 1.00 52.42 C ATOM 1134 OE1 GLN A 165 24.955 0.257 -1.958 1.00 74.31 O ATOM 1135 NE2 GLN A 165 22.852 0.822 -2.477 1.00 63.31 N ATOM 0 H GLN A 165 23.041 -2.063 1.604 1.00 30.30 H new ATOM 0 HA GLN A 165 22.708 0.607 2.840 1.00 34.34 H new ATOM 0 HB2 GLN A 165 22.716 1.442 0.492 1.00 62.12 H new ATOM 0 HB3 GLN A 165 24.244 0.773 1.027 1.00 62.12 H new ATOM 0 HG2 GLN A 165 23.849 -1.283 -0.209 1.00 40.21 H new ATOM 0 HG3 GLN A 165 22.221 -0.779 -0.617 1.00 40.21 H new ATOM 0 HE21 GLN A 165 21.865 0.801 -2.219 1.00 63.31 H new ATOM 0 HE22 GLN A 165 23.143 1.278 -3.342 1.00 63.31 H new ATOM 1144 N LYS A 166 20.306 0.865 2.135 1.00 73.12 N ATOM 1145 CA LYS A 166 18.858 0.879 2.008 1.00 32.24 C ATOM 1146 C LYS A 166 18.447 1.447 0.659 1.00 61.45 C ATOM 1147 O LYS A 166 17.801 0.774 -0.136 1.00 14.33 O ATOM 1148 CB LYS A 166 18.249 1.695 3.155 1.00 63.12 C ATOM 1149 CG LYS A 166 16.771 2.002 2.988 1.00 1.13 C ATOM 1150 CD LYS A 166 16.233 2.787 4.173 1.00 2.33 C ATOM 1151 CE LYS A 166 14.836 3.321 3.907 1.00 62.23 C ATOM 1152 NZ LYS A 166 14.233 3.919 5.126 1.00 40.43 N ATOM 0 H LYS A 166 20.702 1.723 2.520 1.00 73.12 H new ATOM 0 HA LYS A 166 18.483 -0.143 2.067 1.00 32.24 H new ATOM 0 HB2 LYS A 166 18.392 1.150 4.088 1.00 63.12 H new ATOM 0 HB3 LYS A 166 18.795 2.634 3.247 1.00 63.12 H new ATOM 0 HG2 LYS A 166 16.617 2.572 2.072 1.00 1.13 H new ATOM 0 HG3 LYS A 166 16.214 1.071 2.882 1.00 1.13 H new ATOM 0 HD2 LYS A 166 16.216 2.147 5.055 1.00 2.33 H new ATOM 0 HD3 LYS A 166 16.904 3.617 4.394 1.00 2.33 H new ATOM 0 HE2 LYS A 166 14.878 4.071 3.117 1.00 62.23 H new ATOM 0 HE3 LYS A 166 14.200 2.512 3.546 1.00 62.23 H new ATOM 0 HZ1 LYS A 166 13.280 4.272 4.905 1.00 40.43 H new ATOM 0 HZ2 LYS A 166 14.170 3.197 5.872 1.00 40.43 H new ATOM 0 HZ3 LYS A 166 14.826 4.707 5.456 1.00 40.43 H new ATOM 1166 N TYR A 167 18.828 2.683 0.400 1.00 74.54 N ATOM 1167 CA TYR A 167 18.488 3.324 -0.855 1.00 64.13 C ATOM 1168 C TYR A 167 19.299 2.746 -2.007 1.00 11.45 C ATOM 1169 O TYR A 167 20.517 2.921 -2.083 1.00 12.00 O ATOM 1170 CB TYR A 167 18.692 4.834 -0.766 1.00 74.43 C ATOM 1171 CG TYR A 167 17.553 5.571 -0.093 1.00 14.31 C ATOM 1172 CD1 TYR A 167 17.523 6.959 -0.079 1.00 33.12 C ATOM 1173 CD2 TYR A 167 16.504 4.886 0.517 1.00 75.44 C ATOM 1174 CE1 TYR A 167 16.485 7.645 0.521 1.00 71.22 C ATOM 1175 CE2 TYR A 167 15.464 5.567 1.120 1.00 72.41 C ATOM 1176 CZ TYR A 167 15.460 6.945 1.119 1.00 3.42 C ATOM 1177 OH TYR A 167 14.423 7.626 1.717 1.00 70.24 O ATOM 0 H TYR A 167 19.372 3.262 1.040 1.00 74.54 H new ATOM 0 HA TYR A 167 17.434 3.128 -1.051 1.00 64.13 H new ATOM 0 HB2 TYR A 167 19.614 5.034 -0.220 1.00 74.43 H new ATOM 0 HB3 TYR A 167 18.825 5.232 -1.772 1.00 74.43 H new ATOM 0 HD1 TYR A 167 18.325 7.512 -0.545 1.00 33.12 H new ATOM 0 HD2 TYR A 167 16.504 3.806 0.518 1.00 75.44 H new ATOM 0 HE1 TYR A 167 16.477 8.725 0.521 1.00 71.22 H new ATOM 0 HE2 TYR A 167 14.658 5.022 1.590 1.00 72.41 H new ATOM 0 HH TYR A 167 13.783 6.985 2.090 1.00 70.24 H new ATOM 1187 N HIS A 168 18.611 2.025 -2.877 1.00 64.34 N ATOM 1188 CA HIS A 168 19.200 1.511 -4.103 1.00 3.22 C ATOM 1189 C HIS A 168 18.601 2.234 -5.298 1.00 45.11 C ATOM 1190 O HIS A 168 17.636 2.985 -5.155 1.00 54.12 O ATOM 1191 CB HIS A 168 18.960 0.004 -4.246 1.00 52.23 C ATOM 1192 CG HIS A 168 19.866 -0.850 -3.413 1.00 21.12 C ATOM 1193 ND1 HIS A 168 20.944 -1.496 -3.968 1.00 24.43 N ATOM 1194 CD2 HIS A 168 19.800 -1.154 -2.096 1.00 23.31 C ATOM 1195 CE1 HIS A 168 21.505 -2.174 -2.985 1.00 22.21 C ATOM 1196 NE2 HIS A 168 20.845 -1.996 -1.833 1.00 55.42 N ATOM 0 H HIS A 168 17.629 1.779 -2.753 1.00 64.34 H new ATOM 0 HA HIS A 168 20.275 1.684 -4.062 1.00 3.22 H new ATOM 0 HB2 HIS A 168 17.927 -0.214 -3.977 1.00 52.23 H new ATOM 0 HB3 HIS A 168 19.082 -0.273 -5.293 1.00 52.23 H new ATOM 0 HD2 HIS A 168 19.064 -0.800 -1.389 1.00 23.31 H new ATOM 0 HE1 HIS A 168 22.383 -2.793 -3.095 1.00 22.21 H new ATOM 0 HE2 HIS A 168 21.078 -2.410 -0.930 1.00 55.42 H new ATOM 1204 N THR A 169 19.165 2.011 -6.470 1.00 44.41 N ATOM 1205 CA THR A 169 18.646 2.615 -7.682 1.00 1.31 C ATOM 1206 C THR A 169 18.215 1.537 -8.670 1.00 41.23 C ATOM 1207 O THR A 169 19.036 0.990 -9.404 1.00 30.31 O ATOM 1208 CB THR A 169 19.693 3.531 -8.342 1.00 35.31 C ATOM 1209 OG1 THR A 169 20.322 4.351 -7.344 1.00 52.55 O ATOM 1210 CG2 THR A 169 19.042 4.419 -9.395 1.00 12.52 C ATOM 0 H THR A 169 19.982 1.416 -6.608 1.00 44.41 H new ATOM 0 HA THR A 169 17.782 3.220 -7.406 1.00 1.31 H new ATOM 0 HB THR A 169 20.443 2.905 -8.826 1.00 35.31 H new ATOM 0 HG1 THR A 169 20.988 4.930 -7.769 1.00 52.55 H new ATOM 0 HG21 THR A 169 19.798 5.059 -9.850 1.00 12.52 H new ATOM 0 HG22 THR A 169 18.584 3.796 -10.163 1.00 12.52 H new ATOM 0 HG23 THR A 169 18.277 5.038 -8.926 1.00 12.52 H new ATOM 1218 N VAL A 170 16.932 1.216 -8.665 1.00 13.32 N ATOM 1219 CA VAL A 170 16.402 0.183 -9.542 1.00 42.44 C ATOM 1220 C VAL A 170 15.392 0.784 -10.508 1.00 20.22 C ATOM 1221 O VAL A 170 14.502 1.521 -10.089 1.00 34.54 O ATOM 1222 CB VAL A 170 15.719 -0.949 -8.742 1.00 14.11 C ATOM 1223 CG1 VAL A 170 15.239 -2.053 -9.671 1.00 70.23 C ATOM 1224 CG2 VAL A 170 16.659 -1.510 -7.687 1.00 72.34 C ATOM 0 H VAL A 170 16.236 1.656 -8.063 1.00 13.32 H new ATOM 0 HA VAL A 170 17.243 -0.239 -10.092 1.00 42.44 H new ATOM 0 HB VAL A 170 14.851 -0.527 -8.235 1.00 14.11 H new ATOM 0 HG11 VAL A 170 14.762 -2.839 -9.086 1.00 70.23 H new ATOM 0 HG12 VAL A 170 14.522 -1.644 -10.382 1.00 70.23 H new ATOM 0 HG13 VAL A 170 16.089 -2.469 -10.212 1.00 70.23 H new ATOM 0 HG21 VAL A 170 16.156 -2.305 -7.137 1.00 72.34 H new ATOM 0 HG22 VAL A 170 17.550 -1.911 -8.170 1.00 72.34 H new ATOM 0 HG23 VAL A 170 16.946 -0.717 -6.997 1.00 72.34 H new ATOM 1234 N ASN A 171 15.544 0.479 -11.796 1.00 3.24 N ATOM 1235 CA ASN A 171 14.634 0.977 -12.833 1.00 73.34 C ATOM 1236 C ASN A 171 14.638 2.511 -12.859 1.00 5.43 C ATOM 1237 O ASN A 171 13.641 3.152 -13.196 1.00 61.13 O ATOM 1238 CB ASN A 171 13.216 0.428 -12.587 1.00 71.23 C ATOM 1239 CG ASN A 171 12.241 0.741 -13.710 1.00 11.32 C ATOM 1240 OD1 ASN A 171 12.628 0.877 -14.875 1.00 13.12 O ATOM 1241 ND2 ASN A 171 10.965 0.845 -13.366 1.00 12.43 N ATOM 0 H ASN A 171 16.294 -0.115 -12.151 1.00 3.24 H new ATOM 0 HA ASN A 171 14.975 0.628 -13.808 1.00 73.34 H new ATOM 0 HB2 ASN A 171 13.271 -0.653 -12.455 1.00 71.23 H new ATOM 0 HB3 ASN A 171 12.831 0.843 -11.656 1.00 71.23 H new ATOM 0 HD21 ASN A 171 10.260 1.045 -14.076 1.00 12.43 H new ATOM 0 HD22 ASN A 171 10.688 0.725 -12.392 1.00 12.43 H new ATOM 1248 N GLY A 172 15.783 3.095 -12.520 1.00 22.22 N ATOM 1249 CA GLY A 172 15.901 4.540 -12.471 1.00 10.44 C ATOM 1250 C GLY A 172 15.131 5.139 -11.310 1.00 63.44 C ATOM 1251 O GLY A 172 14.822 6.333 -11.299 1.00 14.44 O ATOM 0 H GLY A 172 16.635 2.590 -12.277 1.00 22.22 H new ATOM 0 HA2 GLY A 172 16.953 4.814 -12.387 1.00 10.44 H new ATOM 0 HA3 GLY A 172 15.534 4.965 -13.406 1.00 10.44 H new ATOM 1255 N HIS A 173 14.823 4.310 -10.329 1.00 30.53 N ATOM 1256 CA HIS A 173 14.047 4.738 -9.181 1.00 71.20 C ATOM 1257 C HIS A 173 14.816 4.483 -7.887 1.00 30.33 C ATOM 1258 O HIS A 173 15.335 3.388 -7.666 1.00 63.45 O ATOM 1259 CB HIS A 173 12.702 4.001 -9.168 1.00 11.51 C ATOM 1260 CG HIS A 173 11.812 4.369 -8.022 1.00 33.44 C ATOM 1261 ND1 HIS A 173 10.949 5.434 -8.097 1.00 35.31 N ATOM 1262 CD2 HIS A 173 11.693 3.789 -6.807 1.00 32.14 C ATOM 1263 CE1 HIS A 173 10.329 5.478 -6.932 1.00 3.25 C ATOM 1264 NE2 HIS A 173 10.747 4.501 -6.117 1.00 61.23 N ATOM 0 H HIS A 173 15.101 3.329 -10.306 1.00 30.53 H new ATOM 0 HA HIS A 173 13.863 5.810 -9.254 1.00 71.20 H new ATOM 0 HB2 HIS A 173 12.178 4.208 -10.101 1.00 11.51 H new ATOM 0 HB3 HIS A 173 12.889 2.928 -9.138 1.00 11.51 H new ATOM 0 HD2 HIS A 173 12.239 2.929 -6.448 1.00 32.14 H new ATOM 0 HE1 HIS A 173 9.579 6.210 -6.669 1.00 3.25 H new ATOM 0 HE2 HIS A 173 10.424 4.322 -5.166 1.00 61.23 H new ATOM 1272 N ASN A 174 14.904 5.509 -7.051 1.00 30.00 N ATOM 1273 CA ASN A 174 15.506 5.369 -5.729 1.00 73.10 C ATOM 1274 C ASN A 174 14.559 4.598 -4.819 1.00 11.04 C ATOM 1275 O ASN A 174 13.482 5.087 -4.478 1.00 23.11 O ATOM 1276 CB ASN A 174 15.812 6.748 -5.132 1.00 22.14 C ATOM 1277 CG ASN A 174 16.393 6.675 -3.730 1.00 2.42 C ATOM 1278 OD1 ASN A 174 17.713 6.610 -3.635 1.00 21.20 O flip ATOM 1279 ND2 ASN A 174 15.659 6.683 -2.739 1.00 13.51 N flip ATOM 0 H ASN A 174 14.567 6.448 -7.264 1.00 30.00 H new ATOM 0 HA ASN A 174 16.443 4.820 -5.820 1.00 73.10 H new ATOM 0 HB2 ASN A 174 16.513 7.271 -5.782 1.00 22.14 H new ATOM 0 HB3 ASN A 174 14.896 7.339 -5.109 1.00 22.14 H new ATOM 0 HD21 ASN A 174 14.647 6.734 -2.854 1.00 13.51 H new ATOM 0 HD22 ASN A 174 16.064 6.639 -1.804 1.00 13.51 H new ATOM 1286 N CYS A 175 14.949 3.393 -4.444 1.00 54.23 N ATOM 1287 CA CYS A 175 14.079 2.523 -3.672 1.00 13.02 C ATOM 1288 C CYS A 175 14.721 2.129 -2.347 1.00 15.41 C ATOM 1289 O CYS A 175 15.885 2.436 -2.095 1.00 75.51 O ATOM 1290 CB CYS A 175 13.744 1.273 -4.488 1.00 24.31 C ATOM 1291 SG CYS A 175 15.194 0.379 -5.095 1.00 65.52 S ATOM 0 H CYS A 175 15.862 2.994 -4.661 1.00 54.23 H new ATOM 0 HA CYS A 175 13.162 3.068 -3.448 1.00 13.02 H new ATOM 0 HB2 CYS A 175 13.146 0.600 -3.873 1.00 24.31 H new ATOM 0 HB3 CYS A 175 13.126 1.562 -5.338 1.00 24.31 H new ATOM 0 HG CYS A 175 14.810 -0.663 -5.771 1.00 65.52 H new ATOM 1297 N GLU A 176 13.952 1.445 -1.514 1.00 54.52 N ATOM 1298 CA GLU A 176 14.423 0.981 -0.221 1.00 73.34 C ATOM 1299 C GLU A 176 14.605 -0.532 -0.243 1.00 52.02 C ATOM 1300 O GLU A 176 13.652 -1.281 -0.443 1.00 32.40 O ATOM 1301 CB GLU A 176 13.433 1.380 0.877 1.00 75.11 C ATOM 1302 CG GLU A 176 13.586 0.583 2.164 1.00 63.53 C ATOM 1303 CD GLU A 176 12.391 0.711 3.085 1.00 43.54 C ATOM 1304 OE1 GLU A 176 11.565 -0.224 3.118 1.00 71.32 O ATOM 1305 OE2 GLU A 176 12.284 1.735 3.790 1.00 70.31 O ATOM 0 H GLU A 176 12.984 1.197 -1.717 1.00 54.52 H new ATOM 0 HA GLU A 176 15.385 1.447 -0.009 1.00 73.34 H new ATOM 0 HB2 GLU A 176 13.560 2.439 1.100 1.00 75.11 H new ATOM 0 HB3 GLU A 176 12.418 1.253 0.501 1.00 75.11 H new ATOM 0 HG2 GLU A 176 13.737 -0.468 1.918 1.00 63.53 H new ATOM 0 HG3 GLU A 176 14.480 0.919 2.689 1.00 63.53 H new ATOM 1312 N VAL A 177 15.831 -0.973 -0.060 1.00 71.51 N ATOM 1313 CA VAL A 177 16.131 -2.389 -0.039 1.00 3.22 C ATOM 1314 C VAL A 177 16.745 -2.783 1.294 1.00 12.03 C ATOM 1315 O VAL A 177 17.619 -2.094 1.817 1.00 1.41 O ATOM 1316 CB VAL A 177 17.090 -2.773 -1.179 1.00 52.53 C ATOM 1317 CG1 VAL A 177 17.380 -4.263 -1.162 1.00 42.22 C ATOM 1318 CG2 VAL A 177 16.517 -2.347 -2.521 1.00 24.51 C ATOM 0 H VAL A 177 16.640 -0.368 0.077 1.00 71.51 H new ATOM 0 HA VAL A 177 15.193 -2.926 -0.178 1.00 3.22 H new ATOM 0 HB VAL A 177 18.032 -2.247 -1.027 1.00 52.53 H new ATOM 0 HG11 VAL A 177 18.060 -4.511 -1.977 1.00 42.22 H new ATOM 0 HG12 VAL A 177 17.839 -4.533 -0.211 1.00 42.22 H new ATOM 0 HG13 VAL A 177 16.449 -4.816 -1.286 1.00 42.22 H new ATOM 0 HG21 VAL A 177 17.208 -2.626 -3.317 1.00 24.51 H new ATOM 0 HG22 VAL A 177 15.559 -2.842 -2.682 1.00 24.51 H new ATOM 0 HG23 VAL A 177 16.372 -1.267 -2.528 1.00 24.51 H new ATOM 1328 N ARG A 178 16.266 -3.882 1.846 1.00 31.12 N ATOM 1329 CA ARG A 178 16.775 -4.394 3.108 1.00 53.31 C ATOM 1330 C ARG A 178 16.633 -5.907 3.159 1.00 13.12 C ATOM 1331 O ARG A 178 16.193 -6.522 2.190 1.00 1.20 O ATOM 1332 CB ARG A 178 16.051 -3.745 4.292 1.00 62.42 C ATOM 1333 CG ARG A 178 14.595 -3.401 4.028 1.00 75.51 C ATOM 1334 CD ARG A 178 13.959 -2.764 5.251 1.00 42.12 C ATOM 1335 NE ARG A 178 12.689 -2.114 4.944 1.00 13.41 N ATOM 1336 CZ ARG A 178 11.744 -1.862 5.846 1.00 31.53 C ATOM 1337 NH1 ARG A 178 11.884 -2.281 7.100 1.00 12.52 N ATOM 1338 NH2 ARG A 178 10.661 -1.193 5.487 1.00 22.34 N ATOM 0 H ARG A 178 15.518 -4.443 1.437 1.00 31.12 H new ATOM 0 HA ARG A 178 17.833 -4.141 3.179 1.00 53.31 H new ATOM 0 HB2 ARG A 178 16.103 -4.419 5.147 1.00 62.42 H new ATOM 0 HB3 ARG A 178 16.581 -2.835 4.571 1.00 62.42 H new ATOM 0 HG2 ARG A 178 14.526 -2.719 3.180 1.00 75.51 H new ATOM 0 HG3 ARG A 178 14.047 -4.303 3.757 1.00 75.51 H new ATOM 0 HD2 ARG A 178 13.798 -3.527 6.013 1.00 42.12 H new ATOM 0 HD3 ARG A 178 14.646 -2.031 5.674 1.00 42.12 H new ATOM 0 HE ARG A 178 12.515 -1.836 3.978 1.00 13.41 H new ATOM 0 HH11 ARG A 178 12.719 -2.798 7.375 1.00 12.52 H new ATOM 0 HH12 ARG A 178 11.156 -2.085 7.787 1.00 12.52 H new ATOM 0 HH21 ARG A 178 10.554 -0.874 4.524 1.00 22.34 H new ATOM 0 HH22 ARG A 178 9.932 -0.996 6.173 1.00 22.34 H new ATOM 1352 N LYS A 179 17.023 -6.501 4.278 1.00 3.40 N ATOM 1353 CA LYS A 179 16.918 -7.944 4.449 1.00 2.31 C ATOM 1354 C LYS A 179 15.456 -8.366 4.417 1.00 25.00 C ATOM 1355 O LYS A 179 14.614 -7.751 5.074 1.00 54.21 O ATOM 1356 CB LYS A 179 17.534 -8.380 5.784 1.00 62.03 C ATOM 1357 CG LYS A 179 18.932 -7.840 6.039 1.00 30.03 C ATOM 1358 CD LYS A 179 19.458 -8.307 7.389 1.00 32.33 C ATOM 1359 CE LYS A 179 20.744 -7.593 7.779 1.00 14.24 C ATOM 1360 NZ LYS A 179 21.847 -7.841 6.816 1.00 55.23 N ATOM 0 H LYS A 179 17.414 -6.007 5.080 1.00 3.40 H new ATOM 0 HA LYS A 179 17.460 -8.422 3.633 1.00 2.31 H new ATOM 0 HB2 LYS A 179 16.880 -8.057 6.594 1.00 62.03 H new ATOM 0 HB3 LYS A 179 17.567 -9.469 5.816 1.00 62.03 H new ATOM 0 HG2 LYS A 179 19.604 -8.172 5.248 1.00 30.03 H new ATOM 0 HG3 LYS A 179 18.917 -6.751 6.008 1.00 30.03 H new ATOM 0 HD2 LYS A 179 18.701 -8.132 8.153 1.00 32.33 H new ATOM 0 HD3 LYS A 179 19.636 -9.382 7.356 1.00 32.33 H new ATOM 0 HE2 LYS A 179 20.556 -6.521 7.843 1.00 14.24 H new ATOM 0 HE3 LYS A 179 21.052 -7.922 8.772 1.00 14.24 H new ATOM 0 HZ1 LYS A 179 22.705 -8.119 7.334 1.00 55.23 H new ATOM 0 HZ2 LYS A 179 21.574 -8.604 6.164 1.00 55.23 H new ATOM 0 HZ3 LYS A 179 22.036 -6.974 6.274 1.00 55.23 H new ATOM 1374 N ALA A 180 15.152 -9.408 3.658 1.00 43.23 N ATOM 1375 CA ALA A 180 13.789 -9.901 3.579 1.00 73.03 C ATOM 1376 C ALA A 180 13.528 -10.922 4.671 1.00 72.15 C ATOM 1377 O ALA A 180 13.714 -12.124 4.478 1.00 62.23 O ATOM 1378 CB ALA A 180 13.490 -10.499 2.214 1.00 71.53 C ATOM 0 H ALA A 180 15.826 -9.924 3.093 1.00 43.23 H new ATOM 0 HA ALA A 180 13.122 -9.051 3.724 1.00 73.03 H new ATOM 0 HB1 ALA A 180 12.461 -10.858 2.191 1.00 71.53 H new ATOM 0 HB2 ALA A 180 13.626 -9.738 1.446 1.00 71.53 H new ATOM 0 HB3 ALA A 180 14.168 -11.331 2.025 1.00 71.53 H new ATOM 1384 N LEU A 181 13.138 -10.433 5.833 1.00 32.13 N ATOM 1385 CA LEU A 181 12.743 -11.309 6.913 1.00 71.42 C ATOM 1386 C LEU A 181 11.310 -11.755 6.681 1.00 60.13 C ATOM 1387 O LEU A 181 10.428 -10.928 6.446 1.00 41.10 O ATOM 1388 CB LEU A 181 12.899 -10.635 8.290 1.00 14.32 C ATOM 1389 CG LEU A 181 11.990 -9.437 8.592 1.00 72.30 C ATOM 1390 CD1 LEU A 181 12.070 -9.088 10.067 1.00 41.04 C ATOM 1391 CD2 LEU A 181 12.370 -8.225 7.760 1.00 11.43 C ATOM 0 H LEU A 181 13.087 -9.438 6.050 1.00 32.13 H new ATOM 0 HA LEU A 181 13.402 -12.177 6.920 1.00 71.42 H new ATOM 0 HB2 LEU A 181 12.728 -11.390 9.057 1.00 14.32 H new ATOM 0 HB3 LEU A 181 13.934 -10.307 8.390 1.00 14.32 H new ATOM 0 HG LEU A 181 10.969 -9.719 8.333 1.00 72.30 H new ATOM 0 HD11 LEU A 181 11.422 -8.236 10.275 1.00 41.04 H new ATOM 0 HD12 LEU A 181 11.747 -9.943 10.661 1.00 41.04 H new ATOM 0 HD13 LEU A 181 13.098 -8.834 10.325 1.00 41.04 H new ATOM 0 HD21 LEU A 181 11.705 -7.396 8.000 1.00 11.43 H new ATOM 0 HD22 LEU A 181 13.399 -7.941 7.980 1.00 11.43 H new ATOM 0 HD23 LEU A 181 12.279 -8.468 6.701 1.00 11.43 H new ATOM 1403 N SER A 182 11.094 -13.061 6.712 1.00 22.24 N ATOM 1404 CA SER A 182 9.789 -13.638 6.436 1.00 4.53 C ATOM 1405 C SER A 182 8.737 -13.048 7.364 1.00 3.30 C ATOM 1406 O SER A 182 9.064 -12.564 8.446 1.00 31.14 O ATOM 1407 CB SER A 182 9.851 -15.158 6.608 1.00 62.43 C ATOM 1408 OG SER A 182 8.598 -15.761 6.348 1.00 52.33 O ATOM 0 H SER A 182 11.816 -13.748 6.928 1.00 22.24 H new ATOM 0 HA SER A 182 9.511 -13.404 5.409 1.00 4.53 H new ATOM 0 HB2 SER A 182 10.602 -15.571 5.934 1.00 62.43 H new ATOM 0 HB3 SER A 182 10.168 -15.398 7.623 1.00 62.43 H new ATOM 0 HG SER A 182 8.671 -16.731 6.465 1.00 52.33 H new ATOM 1414 N LYS A 183 7.475 -13.092 6.953 1.00 62.14 N ATOM 1415 CA LYS A 183 6.391 -12.637 7.814 1.00 2.51 C ATOM 1416 C LYS A 183 6.311 -13.520 9.056 1.00 43.41 C ATOM 1417 O LYS A 183 5.673 -13.171 10.048 1.00 51.41 O ATOM 1418 CB LYS A 183 5.055 -12.618 7.071 1.00 10.22 C ATOM 1419 CG LYS A 183 4.712 -13.921 6.383 1.00 15.12 C ATOM 1420 CD LYS A 183 3.281 -13.908 5.881 1.00 44.41 C ATOM 1421 CE LYS A 183 2.969 -15.145 5.062 1.00 52.43 C ATOM 1422 NZ LYS A 183 3.177 -16.396 5.834 1.00 63.52 N ATOM 0 H LYS A 183 7.179 -13.434 6.039 1.00 62.14 H new ATOM 0 HA LYS A 183 6.604 -11.613 8.121 1.00 2.51 H new ATOM 0 HB2 LYS A 183 4.262 -12.373 7.778 1.00 10.22 H new ATOM 0 HB3 LYS A 183 5.076 -11.822 6.327 1.00 10.22 H new ATOM 0 HG2 LYS A 183 5.393 -14.086 5.548 1.00 15.12 H new ATOM 0 HG3 LYS A 183 4.851 -14.750 7.076 1.00 15.12 H new ATOM 0 HD2 LYS A 183 2.598 -13.849 6.728 1.00 44.41 H new ATOM 0 HD3 LYS A 183 3.115 -13.017 5.275 1.00 44.41 H new ATOM 0 HE2 LYS A 183 1.936 -15.100 4.718 1.00 52.43 H new ATOM 0 HE3 LYS A 183 3.600 -15.159 4.174 1.00 52.43 H new ATOM 0 HZ1 LYS A 183 2.809 -17.204 5.292 1.00 63.52 H new ATOM 0 HZ2 LYS A 183 4.193 -16.531 6.010 1.00 63.52 H new ATOM 0 HZ3 LYS A 183 2.674 -16.331 6.742 1.00 63.52 H new ATOM 1436 N GLN A 184 6.975 -14.667 8.987 1.00 41.35 N ATOM 1437 CA GLN A 184 7.140 -15.540 10.136 1.00 74.31 C ATOM 1438 C GLN A 184 8.120 -14.912 11.128 1.00 44.40 C ATOM 1439 O GLN A 184 7.928 -14.976 12.340 1.00 1.24 O ATOM 1440 CB GLN A 184 7.661 -16.903 9.671 1.00 33.34 C ATOM 1441 CG GLN A 184 7.669 -17.973 10.754 1.00 63.21 C ATOM 1442 CD GLN A 184 6.277 -18.360 11.223 1.00 52.42 C ATOM 1443 OE1 GLN A 184 5.350 -17.548 11.216 1.00 21.05 O ATOM 1444 NE2 GLN A 184 6.120 -19.608 11.630 1.00 73.34 N ATOM 0 H GLN A 184 7.412 -15.015 8.134 1.00 41.35 H new ATOM 0 HA GLN A 184 6.178 -15.675 10.631 1.00 74.31 H new ATOM 0 HB2 GLN A 184 7.047 -17.249 8.839 1.00 33.34 H new ATOM 0 HB3 GLN A 184 8.675 -16.781 9.290 1.00 33.34 H new ATOM 0 HG2 GLN A 184 8.178 -18.860 10.376 1.00 63.21 H new ATOM 0 HG3 GLN A 184 8.246 -17.614 11.606 1.00 63.21 H new ATOM 0 HE21 GLN A 184 6.912 -20.251 11.621 1.00 73.34 H new ATOM 0 HE22 GLN A 184 5.207 -19.928 11.953 1.00 73.34 H new ATOM 1453 N GLU A 185 9.150 -14.275 10.587 1.00 15.41 N ATOM 1454 CA GLU A 185 10.213 -13.682 11.390 1.00 41.11 C ATOM 1455 C GLU A 185 9.858 -12.262 11.807 1.00 23.34 C ATOM 1456 O GLU A 185 10.089 -11.860 12.945 1.00 64.34 O ATOM 1457 CB GLU A 185 11.519 -13.664 10.592 1.00 13.31 C ATOM 1458 CG GLU A 185 11.940 -15.030 10.082 1.00 74.32 C ATOM 1459 CD GLU A 185 13.114 -14.961 9.121 1.00 51.54 C ATOM 1460 OE1 GLU A 185 14.268 -15.084 9.577 1.00 65.41 O ATOM 1461 OE2 GLU A 185 12.888 -14.790 7.901 1.00 5.32 O ATOM 0 H GLU A 185 9.273 -14.155 9.582 1.00 15.41 H new ATOM 0 HA GLU A 185 10.336 -14.288 12.288 1.00 41.11 H new ATOM 0 HB2 GLU A 185 11.407 -12.988 9.744 1.00 13.31 H new ATOM 0 HB3 GLU A 185 12.313 -13.260 11.220 1.00 13.31 H new ATOM 0 HG2 GLU A 185 12.206 -15.663 10.929 1.00 74.32 H new ATOM 0 HG3 GLU A 185 11.094 -15.503 9.583 1.00 74.32 H new ATOM 1468 N MET A 186 9.282 -11.506 10.883 1.00 40.04 N ATOM 1469 CA MET A 186 8.946 -10.113 11.142 1.00 72.15 C ATOM 1470 C MET A 186 7.784 -10.012 12.123 1.00 15.34 C ATOM 1471 O MET A 186 7.554 -8.965 12.717 1.00 34.42 O ATOM 1472 CB MET A 186 8.625 -9.377 9.836 1.00 63.51 C ATOM 1473 CG MET A 186 7.287 -9.738 9.221 1.00 50.01 C ATOM 1474 SD MET A 186 7.046 -8.972 7.607 1.00 4.43 S ATOM 1475 CE MET A 186 7.216 -7.239 8.029 1.00 40.10 C ATOM 0 H MET A 186 9.038 -11.833 9.948 1.00 40.04 H new ATOM 0 HA MET A 186 9.814 -9.633 11.594 1.00 72.15 H new ATOM 0 HB2 MET A 186 8.646 -8.304 10.025 1.00 63.51 H new ATOM 0 HB3 MET A 186 9.412 -9.589 9.112 1.00 63.51 H new ATOM 0 HG2 MET A 186 7.216 -10.821 9.121 1.00 50.01 H new ATOM 0 HG3 MET A 186 6.486 -9.427 9.891 1.00 50.01 H new ATOM 0 HE1 MET A 186 6.787 -6.627 7.235 1.00 40.10 H new ATOM 0 HE2 MET A 186 6.692 -7.039 8.964 1.00 40.10 H new ATOM 0 HE3 MET A 186 8.272 -6.995 8.145 1.00 40.10 H new