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 173 HIS : no HD1:sc= -0.0928 X(o=-0.91,f=-0.92) USER MOD Set 1.2: A 175 CYS SG : rot -164:sc= -0.82 USER MOD Set 2.1: A 124 TYR OH : rot 15:sc= 1.79 USER MOD Set 2.2: A 128 TYR OH : rot -146:sc= 0.816 USER MOD Set 2.3: A 165 GLN :FLIP amide:sc= 0 F(o=0.58,f=2.4) USER MOD Set 2.4: A 168 HIS : no HD1:sc= -0.198 K(o=2.4,f=-5.3!) USER MOD Set 3.1: A 120 HIS : no HE2:sc= 1.01 K(o=0.54,f=-6.5!) USER MOD Set 3.2: A 171 ASN :FLIP amide:sc= -0.466 F(o=-2.2!,f=0.54) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 168:sc= 1.23 (180deg=0.952) USER MOD Single : A 119 HIS :FLIP no HD1:sc= -0.388 F(o=-1.9,f=-0.39) USER MOD Single : A 127 GLN : amide:sc= 1.03 K(o=1,f=-0.24) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl -109:sc= -1.07 (180deg=-2.09!) USER MOD Single : A 152 THR OG1 : rot 180:sc= -2.79! USER MOD Single : A 156 HIS :FLIP no HD1:sc= -0.163 F(o=-0.77,f=-0.16) USER MOD Single : A 158 SER OG : rot 51:sc= -1.16! USER MOD Single : A 161 LYS NZ :NH3+ -110:sc= 1.07 (180deg=-0.305) 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 174 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 101:sc= 1.24 USER MOD Single : A 183 LYS NZ :NH3+ 165:sc= -0.045 (180deg=-0.264) USER MOD Single : A 184 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 186 MET CE :methyl -141:sc= -0.153 (180deg=-0.668) USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 104 21.613 -13.593 5.000 1.00 33.02 N ATOM 137 CA VAL A 104 20.315 -13.571 4.343 1.00 1.23 C ATOM 138 C VAL A 104 20.474 -13.896 2.860 1.00 62.14 C ATOM 139 O VAL A 104 21.482 -13.534 2.255 1.00 12.34 O ATOM 140 CB VAL A 104 19.639 -12.191 4.515 1.00 11.25 C ATOM 141 CG1 VAL A 104 18.232 -12.188 3.949 1.00 12.34 C ATOM 142 CG2 VAL A 104 19.618 -11.781 5.979 1.00 74.13 C ATOM 0 HA VAL A 104 19.680 -14.326 4.807 1.00 1.23 H new ATOM 0 HB VAL A 104 20.229 -11.465 3.956 1.00 11.25 H new ATOM 0 HG11 VAL A 104 17.786 -11.203 4.087 1.00 12.34 H new ATOM 0 HG12 VAL A 104 18.267 -12.425 2.886 1.00 12.34 H new ATOM 0 HG13 VAL A 104 17.630 -12.934 4.467 1.00 12.34 H new ATOM 0 HG21 VAL A 104 19.138 -10.807 6.077 1.00 74.13 H new ATOM 0 HG22 VAL A 104 19.061 -12.520 6.556 1.00 74.13 H new ATOM 0 HG23 VAL A 104 20.639 -11.722 6.355 1.00 74.13 H new ATOM 152 N LYS A 105 19.497 -14.591 2.285 1.00 53.24 N ATOM 153 CA LYS A 105 19.565 -14.993 0.880 1.00 11.12 C ATOM 154 C LYS A 105 18.470 -14.339 0.041 1.00 62.01 C ATOM 155 O LYS A 105 18.429 -14.513 -1.172 1.00 50.32 O ATOM 156 CB LYS A 105 19.483 -16.515 0.757 1.00 51.50 C ATOM 157 CG LYS A 105 20.809 -17.211 1.013 1.00 20.10 C ATOM 158 CD LYS A 105 20.639 -18.455 1.871 1.00 22.32 C ATOM 159 CE LYS A 105 20.125 -18.106 3.258 1.00 55.22 C ATOM 160 NZ LYS A 105 20.078 -19.291 4.151 1.00 54.31 N ATOM 0 H LYS A 105 18.649 -14.888 2.768 1.00 53.24 H new ATOM 0 HA LYS A 105 20.524 -14.650 0.492 1.00 11.12 H new ATOM 0 HB2 LYS A 105 18.742 -16.890 1.462 1.00 51.50 H new ATOM 0 HB3 LYS A 105 19.132 -16.773 -0.242 1.00 51.50 H new ATOM 0 HG2 LYS A 105 21.265 -17.485 0.062 1.00 20.10 H new ATOM 0 HG3 LYS A 105 21.493 -16.520 1.506 1.00 20.10 H new ATOM 0 HD2 LYS A 105 19.945 -19.141 1.386 1.00 22.32 H new ATOM 0 HD3 LYS A 105 21.594 -18.974 1.955 1.00 22.32 H new ATOM 0 HE2 LYS A 105 20.767 -17.344 3.701 1.00 55.22 H new ATOM 0 HE3 LYS A 105 19.127 -17.674 3.176 1.00 55.22 H new ATOM 0 HZ1 LYS A 105 19.722 -19.007 5.086 1.00 54.31 H new ATOM 0 HZ2 LYS A 105 19.446 -20.009 3.743 1.00 54.31 H new ATOM 0 HZ3 LYS A 105 21.034 -19.689 4.251 1.00 54.31 H new ATOM 174 N LYS A 106 17.586 -13.590 0.680 1.00 43.20 N ATOM 175 CA LYS A 106 16.556 -12.851 -0.041 1.00 64.02 C ATOM 176 C LYS A 106 16.445 -11.441 0.511 1.00 74.32 C ATOM 177 O LYS A 106 16.435 -11.243 1.724 1.00 64.13 O ATOM 178 CB LYS A 106 15.199 -13.572 0.031 1.00 32.34 C ATOM 179 CG LYS A 106 14.054 -12.771 -0.579 1.00 70.01 C ATOM 180 CD LYS A 106 12.932 -13.662 -1.095 1.00 71.45 C ATOM 181 CE LYS A 106 12.212 -14.410 0.016 1.00 24.31 C ATOM 182 NZ LYS A 106 11.218 -15.369 -0.530 1.00 5.44 N ATOM 0 H LYS A 106 17.559 -13.476 1.693 1.00 43.20 H new ATOM 0 HA LYS A 106 16.845 -12.797 -1.091 1.00 64.02 H new ATOM 0 HB2 LYS A 106 15.277 -14.530 -0.484 1.00 32.34 H new ATOM 0 HB3 LYS A 106 14.966 -13.789 1.074 1.00 32.34 H new ATOM 0 HG2 LYS A 106 13.655 -12.086 0.169 1.00 70.01 H new ATOM 0 HG3 LYS A 106 14.436 -12.162 -1.398 1.00 70.01 H new ATOM 0 HD2 LYS A 106 12.212 -13.052 -1.641 1.00 71.45 H new ATOM 0 HD3 LYS A 106 13.343 -14.381 -1.804 1.00 71.45 H new ATOM 0 HE2 LYS A 106 12.939 -14.946 0.626 1.00 24.31 H new ATOM 0 HE3 LYS A 106 11.710 -13.697 0.670 1.00 24.31 H new ATOM 0 HZ1 LYS A 106 10.893 -16.002 0.229 1.00 5.44 H new ATOM 0 HZ2 LYS A 106 10.406 -14.846 -0.916 1.00 5.44 H new ATOM 0 HZ3 LYS A 106 11.658 -15.932 -1.286 1.00 5.44 H new ATOM 196 N ILE A 107 16.386 -10.457 -0.371 1.00 1.42 N ATOM 197 CA ILE A 107 16.272 -9.076 0.060 1.00 0.22 C ATOM 198 C ILE A 107 14.852 -8.562 -0.145 1.00 23.34 C ATOM 199 O ILE A 107 14.106 -9.071 -0.985 1.00 72.22 O ATOM 200 CB ILE A 107 17.255 -8.144 -0.679 1.00 14.23 C ATOM 201 CG1 ILE A 107 16.820 -7.930 -2.119 1.00 5.24 C ATOM 202 CG2 ILE A 107 18.660 -8.713 -0.641 1.00 75.12 C ATOM 203 CD1 ILE A 107 17.145 -6.551 -2.615 1.00 44.43 C ATOM 0 H ILE A 107 16.415 -10.588 -1.382 1.00 1.42 H new ATOM 0 HA ILE A 107 16.524 -9.064 1.120 1.00 0.22 H new ATOM 0 HB ILE A 107 17.251 -7.181 -0.169 1.00 14.23 H new ATOM 0 HG12 ILE A 107 17.308 -8.667 -2.757 1.00 5.24 H new ATOM 0 HG13 ILE A 107 15.746 -8.099 -2.200 1.00 5.24 H new ATOM 0 HG21 ILE A 107 19.339 -8.042 -1.167 1.00 75.12 H new ATOM 0 HG22 ILE A 107 18.983 -8.816 0.395 1.00 75.12 H new ATOM 0 HG23 ILE A 107 18.670 -9.690 -1.123 1.00 75.12 H new ATOM 0 HD11 ILE A 107 16.814 -6.449 -3.649 1.00 44.43 H new ATOM 0 HD12 ILE A 107 16.636 -5.812 -1.996 1.00 44.43 H new ATOM 0 HD13 ILE A 107 18.222 -6.389 -2.561 1.00 44.43 H new ATOM 215 N PHE A 108 14.491 -7.560 0.635 1.00 2.24 N ATOM 216 CA PHE A 108 13.182 -6.935 0.546 1.00 0.42 C ATOM 217 C PHE A 108 13.302 -5.586 -0.142 1.00 24.42 C ATOM 218 O PHE A 108 14.063 -4.731 0.296 1.00 62.42 O ATOM 219 CB PHE A 108 12.583 -6.767 1.948 1.00 20.14 C ATOM 220 CG PHE A 108 11.404 -5.829 2.018 1.00 32.43 C ATOM 221 CD1 PHE A 108 10.169 -6.193 1.507 1.00 15.00 C ATOM 222 CD2 PHE A 108 11.539 -4.582 2.608 1.00 74.30 C ATOM 223 CE1 PHE A 108 9.092 -5.329 1.582 1.00 65.15 C ATOM 224 CE2 PHE A 108 10.465 -3.716 2.685 1.00 32.24 C ATOM 225 CZ PHE A 108 9.241 -4.088 2.172 1.00 72.23 C ATOM 0 H PHE A 108 15.097 -7.155 1.349 1.00 2.24 H new ATOM 0 HA PHE A 108 12.520 -7.572 -0.041 1.00 0.42 H new ATOM 0 HB2 PHE A 108 12.275 -7.745 2.317 1.00 20.14 H new ATOM 0 HB3 PHE A 108 13.360 -6.403 2.620 1.00 20.14 H new ATOM 0 HD1 PHE A 108 10.046 -7.162 1.045 1.00 15.00 H new ATOM 0 HD2 PHE A 108 12.495 -4.284 3.012 1.00 74.30 H new ATOM 0 HE1 PHE A 108 8.134 -5.624 1.179 1.00 65.15 H new ATOM 0 HE2 PHE A 108 10.585 -2.747 3.147 1.00 32.24 H new ATOM 0 HZ PHE A 108 8.401 -3.412 2.231 1.00 72.23 H new ATOM 235 N VAL A 109 12.571 -5.405 -1.223 1.00 24.55 N ATOM 236 CA VAL A 109 12.574 -4.138 -1.930 1.00 5.34 C ATOM 237 C VAL A 109 11.223 -3.454 -1.751 1.00 20.23 C ATOM 238 O VAL A 109 10.255 -3.790 -2.433 1.00 33.14 O ATOM 239 CB VAL A 109 12.865 -4.321 -3.434 1.00 74.43 C ATOM 240 CG1 VAL A 109 13.289 -3.003 -4.057 1.00 34.43 C ATOM 241 CG2 VAL A 109 13.924 -5.386 -3.661 1.00 44.13 C ATOM 0 H VAL A 109 11.967 -6.118 -1.632 1.00 24.55 H new ATOM 0 HA VAL A 109 13.368 -3.521 -1.510 1.00 5.34 H new ATOM 0 HB VAL A 109 11.947 -4.654 -3.918 1.00 74.43 H new ATOM 0 HG11 VAL A 109 13.490 -3.150 -5.118 1.00 34.43 H new ATOM 0 HG12 VAL A 109 12.491 -2.271 -3.937 1.00 34.43 H new ATOM 0 HG13 VAL A 109 14.191 -2.641 -3.563 1.00 34.43 H new ATOM 0 HG21 VAL A 109 14.109 -5.493 -4.730 1.00 44.13 H new ATOM 0 HG22 VAL A 109 14.847 -5.094 -3.161 1.00 44.13 H new ATOM 0 HG23 VAL A 109 13.577 -6.336 -3.255 1.00 44.13 H new ATOM 251 N GLY A 110 11.159 -2.516 -0.815 1.00 21.45 N ATOM 252 CA GLY A 110 9.891 -1.903 -0.467 1.00 23.41 C ATOM 253 C GLY A 110 9.594 -0.653 -1.267 1.00 62.13 C ATOM 254 O GLY A 110 8.501 -0.503 -1.809 1.00 50.33 O ATOM 0 H GLY A 110 11.962 -2.169 -0.290 1.00 21.45 H new ATOM 0 HA2 GLY A 110 9.090 -2.626 -0.624 1.00 23.41 H new ATOM 0 HA3 GLY A 110 9.894 -1.655 0.594 1.00 23.41 H new ATOM 347 N GLU A 117 9.085 -4.402 -11.945 1.00 13.23 N ATOM 348 CA GLU A 117 8.716 -5.808 -11.967 1.00 71.41 C ATOM 349 C GLU A 117 9.951 -6.681 -11.734 1.00 52.21 C ATOM 350 O GLU A 117 11.016 -6.174 -11.377 1.00 62.53 O ATOM 351 CB GLU A 117 8.065 -6.167 -13.305 1.00 60.25 C ATOM 352 CG GLU A 117 9.047 -6.268 -14.456 1.00 31.13 C ATOM 353 CD GLU A 117 8.807 -7.496 -15.311 1.00 30.21 C ATOM 354 OE1 GLU A 117 9.409 -8.547 -15.017 1.00 43.43 O ATOM 355 OE2 GLU A 117 8.010 -7.420 -16.272 1.00 40.53 O ATOM 0 HA GLU A 117 7.998 -5.991 -11.168 1.00 71.41 H new ATOM 0 HB2 GLU A 117 7.543 -7.118 -13.201 1.00 60.25 H new ATOM 0 HB3 GLU A 117 7.313 -5.415 -13.546 1.00 60.25 H new ATOM 0 HG2 GLU A 117 8.969 -5.375 -15.076 1.00 31.13 H new ATOM 0 HG3 GLU A 117 10.063 -6.295 -14.062 1.00 31.13 H new ATOM 362 N GLU A 118 9.805 -7.987 -11.963 1.00 53.10 N ATOM 363 CA GLU A 118 10.889 -8.942 -11.745 1.00 22.31 C ATOM 364 C GLU A 118 12.147 -8.576 -12.523 1.00 23.51 C ATOM 365 O GLU A 118 13.240 -8.535 -11.947 1.00 45.53 O ATOM 366 CB GLU A 118 10.445 -10.362 -12.117 1.00 20.44 C ATOM 367 CG GLU A 118 11.601 -11.269 -12.522 1.00 4.33 C ATOM 368 CD GLU A 118 11.180 -12.695 -12.782 1.00 33.41 C ATOM 369 OE1 GLU A 118 10.219 -12.905 -13.550 1.00 3.35 O ATOM 370 OE2 GLU A 118 11.828 -13.613 -12.236 1.00 65.14 O ATOM 0 H GLU A 118 8.940 -8.408 -12.302 1.00 53.10 H new ATOM 0 HA GLU A 118 11.131 -8.904 -10.683 1.00 22.31 H new ATOM 0 HB2 GLU A 118 9.924 -10.806 -11.269 1.00 20.44 H new ATOM 0 HB3 GLU A 118 9.730 -10.308 -12.938 1.00 20.44 H new ATOM 0 HG2 GLU A 118 12.071 -10.867 -13.419 1.00 4.33 H new ATOM 0 HG3 GLU A 118 12.355 -11.258 -11.735 1.00 4.33 H new ATOM 377 N HIS A 119 12.001 -8.309 -13.819 1.00 2.44 N ATOM 378 CA HIS A 119 13.161 -8.053 -14.662 1.00 31.30 C ATOM 379 C HIS A 119 13.925 -6.835 -14.153 1.00 22.32 C ATOM 380 O HIS A 119 15.141 -6.766 -14.282 1.00 61.02 O ATOM 381 CB HIS A 119 12.762 -7.892 -16.143 1.00 52.24 C ATOM 382 CG HIS A 119 12.569 -6.478 -16.619 1.00 3.03 C ATOM 383 ND1 HIS A 119 11.458 -5.709 -16.611 1.00 72.30 N flip ATOM 384 CD2 HIS A 119 13.596 -5.769 -17.197 1.00 43.10 C flip ATOM 385 CE1 HIS A 119 11.794 -4.514 -17.192 1.00 30.12 C flip ATOM 386 NE2 HIS A 119 13.086 -4.596 -17.527 1.00 63.12 N flip ATOM 0 H HIS A 119 11.103 -8.265 -14.301 1.00 2.44 H new ATOM 0 HA HIS A 119 13.821 -8.919 -14.605 1.00 31.30 H new ATOM 0 HB2 HIS A 119 13.529 -8.361 -16.759 1.00 52.24 H new ATOM 0 HB3 HIS A 119 11.836 -8.442 -16.312 1.00 52.24 H new ATOM 0 HD2 HIS A 119 14.612 -6.103 -17.350 1.00 43.10 H new ATOM 0 HE1 HIS A 119 11.141 -3.668 -17.349 1.00 30.12 H new ATOM 0 HE2 HIS A 119 13.611 -3.848 -17.980 1.00 63.12 H new ATOM 394 N HIS A 120 13.207 -5.903 -13.539 1.00 51.25 N ATOM 395 CA HIS A 120 13.821 -4.701 -12.999 1.00 51.13 C ATOM 396 C HIS A 120 14.761 -5.037 -11.853 1.00 43.23 C ATOM 397 O HIS A 120 15.943 -4.688 -11.897 1.00 21.23 O ATOM 398 CB HIS A 120 12.758 -3.706 -12.537 1.00 53.11 C ATOM 399 CG HIS A 120 12.045 -3.053 -13.670 1.00 51.01 C ATOM 400 ND1 HIS A 120 10.723 -3.294 -13.907 1.00 61.43 N ATOM 401 CD2 HIS A 120 12.514 -2.191 -14.599 1.00 12.45 C ATOM 402 CE1 HIS A 120 10.410 -2.584 -14.972 1.00 4.24 C ATOM 403 NE2 HIS A 120 11.465 -1.895 -15.432 1.00 31.13 N ATOM 0 H HIS A 120 12.198 -5.958 -13.403 1.00 51.25 H new ATOM 0 HA HIS A 120 14.403 -4.239 -13.797 1.00 51.13 H new ATOM 0 HB2 HIS A 120 12.033 -4.222 -11.907 1.00 53.11 H new ATOM 0 HB3 HIS A 120 13.228 -2.940 -11.920 1.00 53.11 H new ATOM 0 HD1 HIS A 120 10.103 -3.900 -13.369 1.00 61.43 H new ATOM 0 HD2 HIS A 120 13.521 -1.809 -14.672 1.00 12.45 H new ATOM 0 HE1 HIS A 120 9.427 -2.560 -15.419 1.00 4.24 H new ATOM 411 N LEU A 121 14.244 -5.724 -10.835 1.00 74.32 N ATOM 412 CA LEU A 121 15.067 -6.104 -9.692 1.00 70.35 C ATOM 413 C LEU A 121 16.236 -6.972 -10.142 1.00 43.43 C ATOM 414 O LEU A 121 17.383 -6.725 -9.778 1.00 31.44 O ATOM 415 CB LEU A 121 14.257 -6.858 -8.624 1.00 54.45 C ATOM 416 CG LEU A 121 13.248 -6.033 -7.808 1.00 71.31 C ATOM 417 CD1 LEU A 121 13.703 -4.589 -7.665 1.00 53.23 C ATOM 418 CD2 LEU A 121 11.856 -6.111 -8.412 1.00 23.40 C ATOM 0 H LEU A 121 13.271 -6.025 -10.779 1.00 74.32 H new ATOM 0 HA LEU A 121 15.441 -5.181 -9.248 1.00 70.35 H new ATOM 0 HB2 LEU A 121 13.716 -7.666 -9.116 1.00 54.45 H new ATOM 0 HB3 LEU A 121 14.958 -7.320 -7.929 1.00 54.45 H new ATOM 0 HG LEU A 121 13.201 -6.466 -6.809 1.00 71.31 H new ATOM 0 HD11 LEU A 121 12.969 -4.032 -7.083 1.00 53.23 H new ATOM 0 HD12 LEU A 121 14.667 -4.560 -7.156 1.00 53.23 H new ATOM 0 HD13 LEU A 121 13.801 -4.139 -8.653 1.00 53.23 H new ATOM 0 HD21 LEU A 121 11.166 -5.518 -7.813 1.00 23.40 H new ATOM 0 HD22 LEU A 121 11.879 -5.722 -9.430 1.00 23.40 H new ATOM 0 HD23 LEU A 121 11.524 -7.149 -8.427 1.00 23.40 H new ATOM 430 N ARG A 122 15.937 -7.974 -10.959 1.00 44.23 N ATOM 431 CA ARG A 122 16.950 -8.911 -11.431 1.00 21.01 C ATOM 432 C ARG A 122 18.035 -8.199 -12.237 1.00 72.44 C ATOM 433 O ARG A 122 19.217 -8.417 -12.006 1.00 20.00 O ATOM 434 CB ARG A 122 16.293 -10.009 -12.270 1.00 64.54 C ATOM 435 CG ARG A 122 17.278 -10.996 -12.873 1.00 55.20 C ATOM 436 CD ARG A 122 17.111 -12.389 -12.284 1.00 32.43 C ATOM 437 NE ARG A 122 15.755 -12.919 -12.473 1.00 15.21 N ATOM 438 CZ ARG A 122 15.493 -14.161 -12.892 1.00 72.40 C ATOM 439 NH1 ARG A 122 16.490 -14.982 -13.197 1.00 52.42 N ATOM 440 NH2 ARG A 122 14.239 -14.586 -13.001 1.00 61.42 N ATOM 0 H ARG A 122 14.997 -8.160 -11.310 1.00 44.23 H new ATOM 0 HA ARG A 122 17.428 -9.363 -10.562 1.00 21.01 H new ATOM 0 HB2 ARG A 122 15.584 -10.554 -11.647 1.00 64.54 H new ATOM 0 HB3 ARG A 122 15.721 -9.545 -13.073 1.00 64.54 H new ATOM 0 HG2 ARG A 122 17.136 -11.038 -13.953 1.00 55.20 H new ATOM 0 HG3 ARG A 122 18.296 -10.647 -12.699 1.00 55.20 H new ATOM 0 HD2 ARG A 122 17.830 -13.065 -12.747 1.00 32.43 H new ATOM 0 HD3 ARG A 122 17.341 -12.360 -11.219 1.00 32.43 H new ATOM 0 HE ARG A 122 14.967 -12.303 -12.273 1.00 15.21 H new ATOM 0 HH11 ARG A 122 17.456 -14.665 -13.112 1.00 52.42 H new ATOM 0 HH12 ARG A 122 16.291 -15.930 -13.517 1.00 52.42 H new ATOM 0 HH21 ARG A 122 13.467 -13.963 -12.764 1.00 61.42 H new ATOM 0 HH22 ARG A 122 14.048 -15.535 -13.322 1.00 61.42 H new ATOM 454 N ASP A 123 17.622 -7.332 -13.155 1.00 32.40 N ATOM 455 CA ASP A 123 18.553 -6.598 -14.023 1.00 50.41 C ATOM 456 C ASP A 123 19.560 -5.789 -13.210 1.00 21.41 C ATOM 457 O ASP A 123 20.706 -5.605 -13.619 1.00 13.22 O ATOM 458 CB ASP A 123 17.764 -5.665 -14.949 1.00 2.14 C ATOM 459 CG ASP A 123 18.628 -4.653 -15.673 1.00 31.54 C ATOM 460 OD1 ASP A 123 19.125 -4.967 -16.776 1.00 22.34 O ATOM 461 OD2 ASP A 123 18.779 -3.523 -15.159 1.00 11.22 O ATOM 0 H ASP A 123 16.640 -7.115 -13.323 1.00 32.40 H new ATOM 0 HA ASP A 123 19.109 -7.325 -14.614 1.00 50.41 H new ATOM 0 HB2 ASP A 123 17.229 -6.265 -15.685 1.00 2.14 H new ATOM 0 HB3 ASP A 123 17.013 -5.135 -14.363 1.00 2.14 H new ATOM 466 N TYR A 124 19.131 -5.318 -12.054 1.00 4.33 N ATOM 467 CA TYR A 124 19.978 -4.495 -11.214 1.00 35.11 C ATOM 468 C TYR A 124 20.776 -5.343 -10.226 1.00 50.51 C ATOM 469 O TYR A 124 21.973 -5.140 -10.050 1.00 1.03 O ATOM 470 CB TYR A 124 19.126 -3.461 -10.476 1.00 15.40 C ATOM 471 CG TYR A 124 19.875 -2.655 -9.441 1.00 41.24 C ATOM 472 CD1 TYR A 124 19.544 -2.751 -8.098 1.00 70.12 C ATOM 473 CD2 TYR A 124 20.905 -1.802 -9.802 1.00 73.52 C ATOM 474 CE1 TYR A 124 20.218 -2.017 -7.145 1.00 14.31 C ATOM 475 CE2 TYR A 124 21.586 -1.066 -8.853 1.00 32.10 C ATOM 476 CZ TYR A 124 21.237 -1.176 -7.526 1.00 15.10 C ATOM 477 OH TYR A 124 21.909 -0.440 -6.578 1.00 62.11 O ATOM 0 H TYR A 124 18.200 -5.492 -11.676 1.00 4.33 H new ATOM 0 HA TYR A 124 20.695 -3.977 -11.851 1.00 35.11 H new ATOM 0 HB2 TYR A 124 18.693 -2.778 -11.207 1.00 15.40 H new ATOM 0 HB3 TYR A 124 18.297 -3.974 -9.988 1.00 15.40 H new ATOM 0 HD1 TYR A 124 18.745 -3.411 -7.793 1.00 70.12 H new ATOM 0 HD2 TYR A 124 21.180 -1.711 -10.843 1.00 73.52 H new ATOM 0 HE1 TYR A 124 19.947 -2.102 -6.103 1.00 14.31 H new ATOM 0 HE2 TYR A 124 22.389 -0.407 -9.150 1.00 32.10 H new ATOM 0 HH TYR A 124 21.719 -0.802 -5.687 1.00 62.11 H new ATOM 487 N PHE A 125 20.131 -6.310 -9.601 1.00 41.12 N ATOM 488 CA PHE A 125 20.771 -7.063 -8.528 1.00 43.51 C ATOM 489 C PHE A 125 21.658 -8.196 -9.050 1.00 62.43 C ATOM 490 O PHE A 125 22.456 -8.757 -8.297 1.00 45.41 O ATOM 491 CB PHE A 125 19.718 -7.593 -7.554 1.00 24.35 C ATOM 492 CG PHE A 125 19.082 -6.503 -6.733 1.00 63.12 C ATOM 493 CD1 PHE A 125 17.727 -6.235 -6.831 1.00 21.24 C ATOM 494 CD2 PHE A 125 19.849 -5.735 -5.872 1.00 41.44 C ATOM 495 CE1 PHE A 125 17.150 -5.223 -6.086 1.00 23.31 C ATOM 496 CE2 PHE A 125 19.278 -4.723 -5.124 1.00 10.02 C ATOM 497 CZ PHE A 125 17.927 -4.467 -5.232 1.00 51.14 C ATOM 0 H PHE A 125 19.174 -6.594 -9.811 1.00 41.12 H new ATOM 0 HA PHE A 125 21.431 -6.376 -7.998 1.00 43.51 H new ATOM 0 HB2 PHE A 125 18.944 -8.119 -8.113 1.00 24.35 H new ATOM 0 HB3 PHE A 125 20.180 -8.321 -6.887 1.00 24.35 H new ATOM 0 HD1 PHE A 125 17.114 -6.823 -7.497 1.00 21.24 H new ATOM 0 HD2 PHE A 125 20.908 -5.930 -5.784 1.00 41.44 H new ATOM 0 HE1 PHE A 125 16.092 -5.024 -6.172 1.00 23.31 H new ATOM 0 HE2 PHE A 125 19.889 -4.134 -4.456 1.00 10.02 H new ATOM 0 HZ PHE A 125 17.478 -3.676 -4.649 1.00 51.14 H new ATOM 507 N GLU A 126 21.537 -8.523 -10.335 1.00 51.35 N ATOM 508 CA GLU A 126 22.369 -9.568 -10.935 1.00 74.51 C ATOM 509 C GLU A 126 23.855 -9.212 -10.866 1.00 54.44 C ATOM 510 O GLU A 126 24.711 -10.095 -10.828 1.00 75.35 O ATOM 511 CB GLU A 126 21.939 -9.841 -12.386 1.00 70.05 C ATOM 512 CG GLU A 126 21.965 -8.624 -13.306 1.00 74.23 C ATOM 513 CD GLU A 126 23.340 -8.320 -13.866 1.00 21.33 C ATOM 514 OE1 GLU A 126 23.831 -7.192 -13.666 1.00 64.01 O ATOM 515 OE2 GLU A 126 23.935 -9.207 -14.513 1.00 4.15 O ATOM 0 H GLU A 126 20.877 -8.085 -10.978 1.00 51.35 H new ATOM 0 HA GLU A 126 22.222 -10.480 -10.356 1.00 74.51 H new ATOM 0 HB2 GLU A 126 22.591 -10.608 -12.804 1.00 70.05 H new ATOM 0 HB3 GLU A 126 20.929 -10.251 -12.379 1.00 70.05 H new ATOM 0 HG2 GLU A 126 21.273 -8.788 -14.132 1.00 74.23 H new ATOM 0 HG3 GLU A 126 21.605 -7.755 -12.756 1.00 74.23 H new ATOM 522 N GLN A 127 24.154 -7.918 -10.838 1.00 51.14 N ATOM 523 CA GLN A 127 25.537 -7.450 -10.771 1.00 30.54 C ATOM 524 C GLN A 127 26.111 -7.645 -9.369 1.00 22.12 C ATOM 525 O GLN A 127 27.322 -7.565 -9.165 1.00 74.31 O ATOM 526 CB GLN A 127 25.625 -5.974 -11.172 1.00 42.24 C ATOM 527 CG GLN A 127 25.103 -5.017 -10.113 1.00 21.53 C ATOM 528 CD GLN A 127 24.862 -3.622 -10.649 1.00 51.52 C ATOM 529 OE1 GLN A 127 25.748 -2.766 -10.630 1.00 14.31 O ATOM 530 NE2 GLN A 127 23.651 -3.391 -11.117 1.00 11.33 N ATOM 0 H GLN A 127 23.458 -7.173 -10.861 1.00 51.14 H new ATOM 0 HA GLN A 127 26.126 -8.042 -11.472 1.00 30.54 H new ATOM 0 HB2 GLN A 127 26.664 -5.728 -11.390 1.00 42.24 H new ATOM 0 HB3 GLN A 127 25.062 -5.824 -12.093 1.00 42.24 H new ATOM 0 HG2 GLN A 127 24.172 -5.409 -9.703 1.00 21.53 H new ATOM 0 HG3 GLN A 127 25.818 -4.967 -9.291 1.00 21.53 H new ATOM 0 HE21 GLN A 127 22.952 -4.134 -11.111 1.00 11.33 H new ATOM 0 HE22 GLN A 127 23.414 -2.470 -11.485 1.00 11.33 H new ATOM 539 N TYR A 128 25.235 -7.890 -8.404 1.00 54.25 N ATOM 540 CA TYR A 128 25.662 -8.113 -7.029 1.00 31.34 C ATOM 541 C TYR A 128 25.926 -9.591 -6.776 1.00 23.42 C ATOM 542 O TYR A 128 26.719 -9.943 -5.901 1.00 13.22 O ATOM 543 CB TYR A 128 24.624 -7.583 -6.040 1.00 32.34 C ATOM 544 CG TYR A 128 24.519 -6.075 -6.023 1.00 22.12 C ATOM 545 CD1 TYR A 128 25.227 -5.327 -5.091 1.00 25.42 C ATOM 546 CD2 TYR A 128 23.720 -5.399 -6.935 1.00 31.14 C ATOM 547 CE1 TYR A 128 25.143 -3.950 -5.070 1.00 32.33 C ATOM 548 CE2 TYR A 128 23.630 -4.019 -6.920 1.00 42.33 C ATOM 549 CZ TYR A 128 24.345 -3.301 -5.985 1.00 43.13 C ATOM 550 OH TYR A 128 24.266 -1.926 -5.971 1.00 64.12 O ATOM 0 H TYR A 128 24.226 -7.939 -8.547 1.00 54.25 H new ATOM 0 HA TYR A 128 26.592 -7.565 -6.877 1.00 31.34 H new ATOM 0 HB2 TYR A 128 23.650 -8.004 -6.288 1.00 32.34 H new ATOM 0 HB3 TYR A 128 24.876 -7.933 -5.039 1.00 32.34 H new ATOM 0 HD1 TYR A 128 25.854 -5.832 -4.371 1.00 25.42 H new ATOM 0 HD2 TYR A 128 23.160 -5.960 -7.668 1.00 31.14 H new ATOM 0 HE1 TYR A 128 25.701 -3.384 -4.339 1.00 32.33 H new ATOM 0 HE2 TYR A 128 23.004 -3.507 -7.636 1.00 42.33 H new ATOM 0 HH TYR A 128 23.362 -1.648 -6.229 1.00 64.12 H new ATOM 560 N GLY A 129 25.259 -10.451 -7.535 1.00 44.54 N ATOM 561 CA GLY A 129 25.498 -11.876 -7.417 1.00 13.24 C ATOM 562 C GLY A 129 24.478 -12.699 -8.171 1.00 63.23 C ATOM 563 O GLY A 129 23.674 -12.155 -8.930 1.00 14.44 O ATOM 0 H GLY A 129 24.559 -10.188 -8.228 1.00 44.54 H new ATOM 0 HA2 GLY A 129 26.495 -12.106 -7.793 1.00 13.24 H new ATOM 0 HA3 GLY A 129 25.481 -12.158 -6.364 1.00 13.24 H new ATOM 567 N LYS A 130 24.512 -14.011 -7.965 1.00 32.32 N ATOM 568 CA LYS A 130 23.591 -14.909 -8.630 1.00 22.33 C ATOM 569 C LYS A 130 22.207 -14.840 -8.003 1.00 13.34 C ATOM 570 O LYS A 130 22.032 -15.091 -6.808 1.00 21.13 O ATOM 571 CB LYS A 130 24.115 -16.344 -8.586 1.00 23.11 C ATOM 572 CG LYS A 130 23.070 -17.367 -8.978 1.00 53.40 C ATOM 573 CD LYS A 130 23.658 -18.752 -9.146 1.00 55.22 C ATOM 574 CE LYS A 130 22.566 -19.744 -9.477 1.00 35.34 C ATOM 575 NZ LYS A 130 23.100 -21.099 -9.762 1.00 20.42 N ATOM 0 H LYS A 130 25.172 -14.472 -7.339 1.00 32.32 H new ATOM 0 HA LYS A 130 23.511 -14.593 -9.670 1.00 22.33 H new ATOM 0 HB2 LYS A 130 24.971 -16.433 -9.254 1.00 23.11 H new ATOM 0 HB3 LYS A 130 24.472 -16.564 -7.580 1.00 23.11 H new ATOM 0 HG2 LYS A 130 22.289 -17.396 -8.218 1.00 53.40 H new ATOM 0 HG3 LYS A 130 22.596 -17.060 -9.910 1.00 53.40 H new ATOM 0 HD2 LYS A 130 24.406 -18.744 -9.939 1.00 55.22 H new ATOM 0 HD3 LYS A 130 24.168 -19.053 -8.231 1.00 55.22 H new ATOM 0 HE2 LYS A 130 21.865 -19.800 -8.644 1.00 35.34 H new ATOM 0 HE3 LYS A 130 22.005 -19.388 -10.341 1.00 35.34 H new ATOM 0 HZ1 LYS A 130 22.314 -21.743 -9.983 1.00 20.42 H new ATOM 0 HZ2 LYS A 130 23.748 -21.053 -10.574 1.00 20.42 H new ATOM 0 HZ3 LYS A 130 23.613 -21.452 -8.929 1.00 20.42 H new ATOM 589 N ILE A 131 21.229 -14.514 -8.825 1.00 74.34 N ATOM 590 CA ILE A 131 19.860 -14.414 -8.375 1.00 31.24 C ATOM 591 C ILE A 131 19.119 -15.716 -8.645 1.00 4.50 C ATOM 592 O ILE A 131 19.281 -16.329 -9.701 1.00 23.24 O ATOM 593 CB ILE A 131 19.123 -13.254 -9.075 1.00 64.00 C ATOM 594 CG1 ILE A 131 19.897 -11.950 -8.887 1.00 24.13 C ATOM 595 CG2 ILE A 131 17.708 -13.116 -8.538 1.00 13.51 C ATOM 596 CD1 ILE A 131 19.237 -10.757 -9.534 1.00 31.21 C ATOM 0 H ILE A 131 21.362 -14.313 -9.816 1.00 74.34 H new ATOM 0 HA ILE A 131 19.879 -14.218 -7.303 1.00 31.24 H new ATOM 0 HB ILE A 131 19.062 -13.474 -10.141 1.00 64.00 H new ATOM 0 HG12 ILE A 131 20.013 -11.757 -7.821 1.00 24.13 H new ATOM 0 HG13 ILE A 131 20.899 -12.069 -9.300 1.00 24.13 H new ATOM 0 HG21 ILE A 131 17.205 -12.292 -9.045 1.00 13.51 H new ATOM 0 HG22 ILE A 131 17.159 -14.041 -8.716 1.00 13.51 H new ATOM 0 HG23 ILE A 131 17.743 -12.916 -7.467 1.00 13.51 H new ATOM 0 HD11 ILE A 131 19.842 -9.867 -9.360 1.00 31.21 H new ATOM 0 HD12 ILE A 131 19.145 -10.929 -10.606 1.00 31.21 H new ATOM 0 HD13 ILE A 131 18.246 -10.612 -9.104 1.00 31.21 H new ATOM 608 N GLU A 132 18.325 -16.136 -7.684 1.00 73.43 N ATOM 609 CA GLU A 132 17.506 -17.320 -7.827 1.00 31.12 C ATOM 610 C GLU A 132 16.187 -16.975 -8.514 1.00 31.20 C ATOM 611 O GLU A 132 15.974 -17.324 -9.677 1.00 10.21 O ATOM 612 CB GLU A 132 17.273 -17.946 -6.453 1.00 45.54 C ATOM 613 CG GLU A 132 18.473 -18.718 -5.948 1.00 70.04 C ATOM 614 CD GLU A 132 18.719 -19.985 -6.736 1.00 71.44 C ATOM 615 OE1 GLU A 132 18.168 -21.039 -6.361 1.00 62.55 O ATOM 616 OE2 GLU A 132 19.466 -19.932 -7.733 1.00 42.11 O ATOM 0 H GLU A 132 18.229 -15.667 -6.783 1.00 73.43 H new ATOM 0 HA GLU A 132 18.022 -18.047 -8.455 1.00 31.12 H new ATOM 0 HB2 GLU A 132 17.025 -17.161 -5.739 1.00 45.54 H new ATOM 0 HB3 GLU A 132 16.413 -18.614 -6.504 1.00 45.54 H new ATOM 0 HG2 GLU A 132 19.358 -18.084 -6.001 1.00 70.04 H new ATOM 0 HG3 GLU A 132 18.323 -18.970 -4.898 1.00 70.04 H new ATOM 623 N VAL A 133 15.319 -16.260 -7.807 1.00 62.12 N ATOM 624 CA VAL A 133 14.025 -15.856 -8.351 1.00 31.44 C ATOM 625 C VAL A 133 13.655 -14.461 -7.865 1.00 24.10 C ATOM 626 O VAL A 133 14.185 -13.987 -6.858 1.00 73.24 O ATOM 627 CB VAL A 133 12.889 -16.833 -7.963 1.00 52.30 C ATOM 628 CG1 VAL A 133 13.061 -18.176 -8.655 1.00 2.12 C ATOM 629 CG2 VAL A 133 12.825 -17.018 -6.453 1.00 53.15 C ATOM 0 H VAL A 133 15.488 -15.946 -6.851 1.00 62.12 H new ATOM 0 HA VAL A 133 14.130 -15.865 -9.436 1.00 31.44 H new ATOM 0 HB VAL A 133 11.948 -16.396 -8.297 1.00 52.30 H new ATOM 0 HG11 VAL A 133 12.249 -18.842 -8.364 1.00 2.12 H new ATOM 0 HG12 VAL A 133 13.044 -18.033 -9.735 1.00 2.12 H new ATOM 0 HG13 VAL A 133 14.014 -18.617 -8.362 1.00 2.12 H new ATOM 0 HG21 VAL A 133 12.019 -17.709 -6.205 1.00 53.15 H new ATOM 0 HG22 VAL A 133 13.772 -17.422 -6.095 1.00 53.15 H new ATOM 0 HG23 VAL A 133 12.638 -16.056 -5.976 1.00 53.15 H new ATOM 639 N ILE A 134 12.764 -13.801 -8.589 1.00 31.52 N ATOM 640 CA ILE A 134 12.261 -12.501 -8.175 1.00 64.15 C ATOM 641 C ILE A 134 10.781 -12.601 -7.838 1.00 31.22 C ATOM 642 O ILE A 134 9.964 -12.936 -8.695 1.00 55.12 O ATOM 643 CB ILE A 134 12.446 -11.427 -9.265 1.00 65.23 C ATOM 644 CG1 ILE A 134 13.875 -11.439 -9.809 1.00 73.33 C ATOM 645 CG2 ILE A 134 12.109 -10.050 -8.709 1.00 72.04 C ATOM 646 CD1 ILE A 134 14.915 -11.052 -8.791 1.00 52.52 C ATOM 0 H ILE A 134 12.374 -14.145 -9.467 1.00 31.52 H new ATOM 0 HA ILE A 134 12.837 -12.202 -7.299 1.00 64.15 H new ATOM 0 HB ILE A 134 11.766 -11.656 -10.086 1.00 65.23 H new ATOM 0 HG12 ILE A 134 14.102 -12.436 -10.186 1.00 73.33 H new ATOM 0 HG13 ILE A 134 13.937 -10.756 -10.656 1.00 73.33 H new ATOM 0 HG21 ILE A 134 12.244 -9.300 -9.488 1.00 72.04 H new ATOM 0 HG22 ILE A 134 11.073 -10.038 -8.369 1.00 72.04 H new ATOM 0 HG23 ILE A 134 12.768 -9.825 -7.871 1.00 72.04 H new ATOM 0 HD11 ILE A 134 15.903 -11.084 -9.250 1.00 52.52 H new ATOM 0 HD12 ILE A 134 14.714 -10.043 -8.431 1.00 52.52 H new ATOM 0 HD13 ILE A 134 14.882 -11.749 -7.954 1.00 52.52 H new ATOM 658 N GLU A 135 10.443 -12.328 -6.593 1.00 32.22 N ATOM 659 CA GLU A 135 9.060 -12.382 -6.155 1.00 64.14 C ATOM 660 C GLU A 135 8.486 -10.973 -6.102 1.00 2.12 C ATOM 661 O GLU A 135 8.970 -10.132 -5.355 1.00 62.25 O ATOM 662 CB GLU A 135 8.962 -13.039 -4.775 1.00 22.22 C ATOM 663 CG GLU A 135 9.670 -14.382 -4.682 1.00 1.11 C ATOM 664 CD GLU A 135 9.560 -15.007 -3.305 1.00 54.33 C ATOM 665 OE1 GLU A 135 9.415 -16.246 -3.213 1.00 61.12 O ATOM 666 OE2 GLU A 135 9.603 -14.265 -2.304 1.00 64.34 O ATOM 0 H GLU A 135 11.108 -12.066 -5.865 1.00 32.22 H new ATOM 0 HA GLU A 135 8.487 -12.979 -6.865 1.00 64.14 H new ATOM 0 HB2 GLU A 135 9.385 -12.364 -4.031 1.00 22.22 H new ATOM 0 HB3 GLU A 135 7.911 -13.175 -4.522 1.00 22.22 H new ATOM 0 HG2 GLU A 135 9.247 -15.063 -5.421 1.00 1.11 H new ATOM 0 HG3 GLU A 135 10.722 -14.252 -4.934 1.00 1.11 H new ATOM 673 N ILE A 136 7.466 -10.707 -6.903 1.00 15.12 N ATOM 674 CA ILE A 136 6.834 -9.392 -6.909 1.00 40.43 C ATOM 675 C ILE A 136 5.674 -9.387 -5.919 1.00 33.11 C ATOM 676 O ILE A 136 4.940 -8.405 -5.791 1.00 12.50 O ATOM 677 CB ILE A 136 6.314 -9.015 -8.320 1.00 43.32 C ATOM 678 CG1 ILE A 136 7.337 -9.405 -9.389 1.00 51.44 C ATOM 679 CG2 ILE A 136 6.020 -7.519 -8.402 1.00 13.52 C ATOM 680 CD1 ILE A 136 6.843 -9.202 -10.806 1.00 60.24 C ATOM 0 H ILE A 136 7.058 -11.378 -7.554 1.00 15.12 H new ATOM 0 HA ILE A 136 7.582 -8.654 -6.619 1.00 40.43 H new ATOM 0 HB ILE A 136 5.390 -9.564 -8.500 1.00 43.32 H new ATOM 0 HG12 ILE A 136 8.244 -8.819 -9.242 1.00 51.44 H new ATOM 0 HG13 ILE A 136 7.609 -10.452 -9.255 1.00 51.44 H new ATOM 0 HG21 ILE A 136 5.656 -7.274 -9.400 1.00 13.52 H new ATOM 0 HG22 ILE A 136 5.262 -7.256 -7.664 1.00 13.52 H new ATOM 0 HG23 ILE A 136 6.932 -6.957 -8.200 1.00 13.52 H new ATOM 0 HD11 ILE A 136 7.621 -9.500 -11.509 1.00 60.24 H new ATOM 0 HD12 ILE A 136 5.953 -9.809 -10.972 1.00 60.24 H new ATOM 0 HD13 ILE A 136 6.599 -8.151 -10.959 1.00 60.24 H new ATOM 692 N MET A 137 5.530 -10.512 -5.219 1.00 52.12 N ATOM 693 CA MET A 137 4.429 -10.728 -4.290 1.00 64.45 C ATOM 694 C MET A 137 3.107 -10.443 -4.990 1.00 63.34 C ATOM 695 O MET A 137 2.262 -9.684 -4.512 1.00 51.33 O ATOM 696 CB MET A 137 4.610 -9.885 -3.015 1.00 50.42 C ATOM 697 CG MET A 137 3.511 -10.070 -1.968 1.00 72.05 C ATOM 698 SD MET A 137 2.827 -11.746 -1.927 1.00 4.33 S ATOM 699 CE MET A 137 4.296 -12.724 -1.629 1.00 54.24 C ATOM 0 H MET A 137 6.176 -11.299 -5.283 1.00 52.12 H new ATOM 0 HA MET A 137 4.423 -11.771 -3.972 1.00 64.45 H new ATOM 0 HB2 MET A 137 5.570 -10.135 -2.563 1.00 50.42 H new ATOM 0 HB3 MET A 137 4.654 -8.832 -3.294 1.00 50.42 H new ATOM 0 HG2 MET A 137 3.912 -9.826 -0.984 1.00 72.05 H new ATOM 0 HG3 MET A 137 2.706 -9.363 -2.169 1.00 72.05 H new ATOM 0 HE1 MET A 137 4.550 -13.282 -2.530 1.00 54.24 H new ATOM 0 HE2 MET A 137 5.124 -12.066 -1.364 1.00 54.24 H new ATOM 0 HE3 MET A 137 4.110 -13.420 -0.811 1.00 54.24 H new ATOM 859 N PHE A 148 5.564 -3.920 -3.365 1.00 31.13 N ATOM 860 CA PHE A 148 6.871 -4.289 -2.840 1.00 40.24 C ATOM 861 C PHE A 148 7.265 -5.654 -3.380 1.00 21.40 C ATOM 862 O PHE A 148 6.400 -6.470 -3.710 1.00 65.44 O ATOM 863 CB PHE A 148 6.888 -4.282 -1.303 1.00 23.11 C ATOM 864 CG PHE A 148 5.853 -5.162 -0.649 1.00 13.30 C ATOM 865 CD1 PHE A 148 6.042 -6.535 -0.549 1.00 51.02 C ATOM 866 CD2 PHE A 148 4.698 -4.611 -0.121 1.00 64.41 C ATOM 867 CE1 PHE A 148 5.097 -7.335 0.064 1.00 34.24 C ATOM 868 CE2 PHE A 148 3.749 -5.408 0.490 1.00 1.32 C ATOM 869 CZ PHE A 148 3.949 -6.771 0.583 1.00 2.41 C ATOM 0 HA PHE A 148 7.598 -3.547 -3.169 1.00 40.24 H new ATOM 0 HB2 PHE A 148 7.876 -4.595 -0.964 1.00 23.11 H new ATOM 0 HB3 PHE A 148 6.743 -3.258 -0.958 1.00 23.11 H new ATOM 0 HD1 PHE A 148 6.938 -6.982 -0.955 1.00 51.02 H new ATOM 0 HD2 PHE A 148 4.537 -3.545 -0.187 1.00 64.41 H new ATOM 0 HE1 PHE A 148 5.256 -8.401 0.137 1.00 34.24 H new ATOM 0 HE2 PHE A 148 2.851 -4.965 0.895 1.00 1.32 H new ATOM 0 HZ PHE A 148 3.208 -7.395 1.061 1.00 2.41 H new ATOM 879 N ALA A 149 8.561 -5.905 -3.471 1.00 14.11 N ATOM 880 CA ALA A 149 9.047 -7.141 -4.058 1.00 70.13 C ATOM 881 C ALA A 149 10.181 -7.748 -3.242 1.00 34.43 C ATOM 882 O ALA A 149 10.694 -7.133 -2.305 1.00 43.35 O ATOM 883 CB ALA A 149 9.497 -6.897 -5.491 1.00 34.41 C ATOM 0 H ALA A 149 9.292 -5.272 -3.147 1.00 14.11 H new ATOM 0 HA ALA A 149 8.224 -7.856 -4.056 1.00 70.13 H new ATOM 0 HB1 ALA A 149 9.860 -7.830 -5.922 1.00 34.41 H new ATOM 0 HB2 ALA A 149 8.656 -6.528 -6.079 1.00 34.41 H new ATOM 0 HB3 ALA A 149 10.298 -6.158 -5.500 1.00 34.41 H new ATOM 889 N PHE A 150 10.567 -8.955 -3.620 1.00 34.31 N ATOM 890 CA PHE A 150 11.613 -9.697 -2.938 1.00 62.31 C ATOM 891 C PHE A 150 12.575 -10.274 -3.964 1.00 72.53 C ATOM 892 O PHE A 150 12.150 -10.826 -4.981 1.00 44.31 O ATOM 893 CB PHE A 150 11.023 -10.846 -2.110 1.00 31.24 C ATOM 894 CG PHE A 150 9.931 -10.438 -1.164 1.00 14.04 C ATOM 895 CD1 PHE A 150 8.609 -10.742 -1.448 1.00 53.42 C ATOM 896 CD2 PHE A 150 10.223 -9.757 0.006 1.00 74.52 C ATOM 897 CE1 PHE A 150 7.600 -10.375 -0.584 1.00 3.42 C ATOM 898 CE2 PHE A 150 9.216 -9.385 0.874 1.00 63.21 C ATOM 899 CZ PHE A 150 7.903 -9.694 0.579 1.00 32.52 C ATOM 0 H PHE A 150 10.161 -9.450 -4.414 1.00 34.31 H new ATOM 0 HA PHE A 150 12.135 -9.013 -2.269 1.00 62.31 H new ATOM 0 HB2 PHE A 150 10.633 -11.603 -2.790 1.00 31.24 H new ATOM 0 HB3 PHE A 150 11.825 -11.314 -1.539 1.00 31.24 H new ATOM 0 HD1 PHE A 150 8.367 -11.273 -2.357 1.00 53.42 H new ATOM 0 HD2 PHE A 150 11.249 -9.515 0.242 1.00 74.52 H new ATOM 0 HE1 PHE A 150 6.574 -10.619 -0.816 1.00 3.42 H new ATOM 0 HE2 PHE A 150 9.455 -8.853 1.783 1.00 63.21 H new ATOM 0 HZ PHE A 150 7.114 -9.404 1.257 1.00 32.52 H new ATOM 909 N VAL A 151 13.861 -10.148 -3.710 1.00 5.41 N ATOM 910 CA VAL A 151 14.860 -10.686 -4.618 1.00 45.32 C ATOM 911 C VAL A 151 15.602 -11.833 -3.949 1.00 72.23 C ATOM 912 O VAL A 151 16.376 -11.621 -3.014 1.00 33.34 O ATOM 913 CB VAL A 151 15.867 -9.608 -5.069 1.00 23.01 C ATOM 914 CG1 VAL A 151 16.771 -10.137 -6.172 1.00 63.05 C ATOM 915 CG2 VAL A 151 15.137 -8.357 -5.531 1.00 10.22 C ATOM 0 H VAL A 151 14.241 -9.680 -2.887 1.00 5.41 H new ATOM 0 HA VAL A 151 14.340 -11.048 -5.505 1.00 45.32 H new ATOM 0 HB VAL A 151 16.492 -9.348 -4.214 1.00 23.01 H new ATOM 0 HG11 VAL A 151 17.472 -9.358 -6.473 1.00 63.05 H new ATOM 0 HG12 VAL A 151 17.324 -11.002 -5.806 1.00 63.05 H new ATOM 0 HG13 VAL A 151 16.165 -10.431 -7.029 1.00 63.05 H new ATOM 0 HG21 VAL A 151 15.863 -7.607 -5.845 1.00 10.22 H new ATOM 0 HG22 VAL A 151 14.485 -8.605 -6.369 1.00 10.22 H new ATOM 0 HG23 VAL A 151 14.539 -7.961 -4.710 1.00 10.22 H new ATOM 925 N THR A 152 15.337 -13.045 -4.407 1.00 75.02 N ATOM 926 CA THR A 152 15.975 -14.225 -3.856 1.00 33.42 C ATOM 927 C THR A 152 17.290 -14.504 -4.574 1.00 75.30 C ATOM 928 O THR A 152 17.326 -14.587 -5.797 1.00 33.23 O ATOM 929 CB THR A 152 15.061 -15.455 -3.991 1.00 31.42 C ATOM 930 OG1 THR A 152 13.725 -15.108 -3.608 1.00 13.35 O ATOM 931 CG2 THR A 152 15.560 -16.602 -3.125 1.00 32.15 C ATOM 0 H THR A 152 14.680 -13.236 -5.164 1.00 75.02 H new ATOM 0 HA THR A 152 16.168 -14.035 -2.800 1.00 33.42 H new ATOM 0 HB THR A 152 15.073 -15.779 -5.032 1.00 31.42 H new ATOM 0 HG1 THR A 152 13.145 -15.893 -3.697 1.00 13.35 H new ATOM 0 HG21 THR A 152 14.896 -17.459 -3.239 1.00 32.15 H new ATOM 0 HG22 THR A 152 16.568 -16.880 -3.434 1.00 32.15 H new ATOM 0 HG23 THR A 152 15.574 -16.290 -2.081 1.00 32.15 H new ATOM 939 N PHE A 153 18.359 -14.646 -3.814 1.00 43.02 N ATOM 940 CA PHE A 153 19.669 -14.935 -4.371 1.00 55.23 C ATOM 941 C PHE A 153 20.100 -16.341 -3.980 1.00 44.41 C ATOM 942 O PHE A 153 19.691 -16.853 -2.938 1.00 14.11 O ATOM 943 CB PHE A 153 20.702 -13.926 -3.863 1.00 4.02 C ATOM 944 CG PHE A 153 20.390 -12.499 -4.212 1.00 61.15 C ATOM 945 CD1 PHE A 153 20.894 -11.933 -5.370 1.00 50.43 C ATOM 946 CD2 PHE A 153 19.600 -11.724 -3.379 1.00 12.23 C ATOM 947 CE1 PHE A 153 20.614 -10.618 -5.690 1.00 44.23 C ATOM 948 CE2 PHE A 153 19.319 -10.413 -3.694 1.00 2.21 C ATOM 949 CZ PHE A 153 19.825 -9.859 -4.850 1.00 2.32 C ATOM 0 H PHE A 153 18.346 -14.565 -2.797 1.00 43.02 H new ATOM 0 HA PHE A 153 19.606 -14.861 -5.457 1.00 55.23 H new ATOM 0 HB2 PHE A 153 20.778 -14.015 -2.779 1.00 4.02 H new ATOM 0 HB3 PHE A 153 21.678 -14.184 -4.274 1.00 4.02 H new ATOM 0 HD1 PHE A 153 21.512 -12.524 -6.030 1.00 50.43 H new ATOM 0 HD2 PHE A 153 19.200 -12.153 -2.472 1.00 12.23 H new ATOM 0 HE1 PHE A 153 21.012 -10.185 -6.596 1.00 44.23 H new ATOM 0 HE2 PHE A 153 18.702 -9.819 -3.035 1.00 2.21 H new ATOM 0 HZ PHE A 153 19.604 -8.831 -5.098 1.00 2.32 H new ATOM 959 N ASP A 154 20.914 -16.968 -4.818 1.00 32.14 N ATOM 960 CA ASP A 154 21.449 -18.295 -4.510 1.00 70.04 C ATOM 961 C ASP A 154 22.576 -18.180 -3.493 1.00 2.21 C ATOM 962 O ASP A 154 22.987 -19.157 -2.868 1.00 13.21 O ATOM 963 CB ASP A 154 21.968 -18.973 -5.782 1.00 73.11 C ATOM 964 CG ASP A 154 22.634 -20.311 -5.515 1.00 12.52 C ATOM 965 OD1 ASP A 154 23.874 -20.399 -5.647 1.00 4.13 O ATOM 966 OD2 ASP A 154 21.925 -21.286 -5.180 1.00 74.14 O ATOM 0 H ASP A 154 21.219 -16.585 -5.713 1.00 32.14 H new ATOM 0 HA ASP A 154 20.647 -18.902 -4.091 1.00 70.04 H new ATOM 0 HB2 ASP A 154 21.138 -19.119 -6.473 1.00 73.11 H new ATOM 0 HB3 ASP A 154 22.680 -18.311 -6.274 1.00 73.11 H new ATOM 971 N ASP A 155 23.051 -16.962 -3.323 1.00 21.23 N ATOM 972 CA ASP A 155 24.218 -16.693 -2.498 1.00 32.40 C ATOM 973 C ASP A 155 23.897 -15.680 -1.413 1.00 3.55 C ATOM 974 O ASP A 155 23.299 -14.639 -1.684 1.00 12.21 O ATOM 975 CB ASP A 155 25.346 -16.169 -3.381 1.00 31.05 C ATOM 976 CG ASP A 155 26.614 -15.893 -2.621 1.00 10.11 C ATOM 977 OD1 ASP A 155 26.992 -14.713 -2.529 1.00 24.55 O ATOM 978 OD2 ASP A 155 27.238 -16.849 -2.123 1.00 11.31 O ATOM 0 H ASP A 155 22.642 -16.131 -3.751 1.00 21.23 H new ATOM 0 HA ASP A 155 24.526 -17.620 -2.013 1.00 32.40 H new ATOM 0 HB2 ASP A 155 25.552 -16.896 -4.166 1.00 31.05 H new ATOM 0 HB3 ASP A 155 25.018 -15.253 -3.873 1.00 31.05 H new ATOM 983 N HIS A 156 24.312 -15.978 -0.190 1.00 41.31 N ATOM 984 CA HIS A 156 24.031 -15.102 0.940 1.00 25.05 C ATOM 985 C HIS A 156 25.073 -13.995 1.057 1.00 52.33 C ATOM 986 O HIS A 156 24.979 -13.131 1.930 1.00 33.10 O ATOM 987 CB HIS A 156 23.940 -15.895 2.254 1.00 60.03 C ATOM 988 CG HIS A 156 25.181 -16.652 2.641 1.00 41.32 C ATOM 989 ND1 HIS A 156 26.459 -16.218 2.781 1.00 22.23 N flip ATOM 990 CD2 HIS A 156 25.121 -17.976 2.993 1.00 22.02 C flip ATOM 991 CE1 HIS A 156 27.195 -17.283 3.231 1.00 24.03 C flip ATOM 992 NE2 HIS A 156 26.348 -18.315 3.342 1.00 13.31 N flip ATOM 0 H HIS A 156 24.843 -16.817 0.045 1.00 41.31 H new ATOM 0 HA HIS A 156 23.062 -14.638 0.755 1.00 25.05 H new ATOM 0 HB2 HIS A 156 23.692 -15.203 3.059 1.00 60.03 H new ATOM 0 HB3 HIS A 156 23.114 -16.602 2.175 1.00 60.03 H new ATOM 0 HD2 HIS A 156 24.248 -18.612 2.986 1.00 22.02 H new ATOM 0 HE1 HIS A 156 28.252 -17.289 3.453 1.00 24.03 H new ATOM 0 HE2 HIS A 156 26.618 -19.247 3.657 1.00 13.31 H new ATOM 1000 N ASP A 157 26.067 -14.015 0.177 1.00 1.01 N ATOM 1001 CA ASP A 157 27.103 -12.989 0.202 1.00 0.24 C ATOM 1002 C ASP A 157 26.744 -11.879 -0.768 1.00 31.21 C ATOM 1003 O ASP A 157 26.966 -10.703 -0.498 1.00 33.13 O ATOM 1004 CB ASP A 157 28.476 -13.573 -0.132 1.00 20.51 C ATOM 1005 CG ASP A 157 29.542 -12.502 -0.275 1.00 34.02 C ATOM 1006 OD1 ASP A 157 29.997 -11.965 0.760 1.00 5.22 O ATOM 1007 OD2 ASP A 157 29.935 -12.203 -1.421 1.00 11.01 O ATOM 0 H ASP A 157 26.178 -14.719 -0.553 1.00 1.01 H new ATOM 0 HA ASP A 157 27.160 -12.581 1.211 1.00 0.24 H new ATOM 0 HB2 ASP A 157 28.770 -14.272 0.651 1.00 20.51 H new ATOM 0 HB3 ASP A 157 28.410 -14.142 -1.059 1.00 20.51 H new ATOM 1012 N SER A 158 26.163 -12.270 -1.891 1.00 53.01 N ATOM 1013 CA SER A 158 25.660 -11.329 -2.878 1.00 64.52 C ATOM 1014 C SER A 158 24.635 -10.388 -2.246 1.00 10.01 C ATOM 1015 O SER A 158 24.527 -9.220 -2.618 1.00 41.03 O ATOM 1016 CB SER A 158 25.036 -12.102 -4.037 1.00 1.11 C ATOM 1017 OG SER A 158 25.952 -13.060 -4.553 1.00 21.44 O ATOM 0 H SER A 158 26.027 -13.249 -2.144 1.00 53.01 H new ATOM 0 HA SER A 158 26.485 -10.724 -3.253 1.00 64.52 H new ATOM 0 HB2 SER A 158 24.129 -12.604 -3.700 1.00 1.11 H new ATOM 0 HB3 SER A 158 24.743 -11.410 -4.826 1.00 1.11 H new ATOM 0 HG SER A 158 26.305 -13.604 -3.818 1.00 21.44 H new ATOM 1023 N VAL A 159 23.908 -10.911 -1.267 1.00 14.32 N ATOM 1024 CA VAL A 159 22.916 -10.142 -0.529 1.00 24.13 C ATOM 1025 C VAL A 159 23.589 -9.117 0.381 1.00 41.43 C ATOM 1026 O VAL A 159 23.040 -8.049 0.650 1.00 64.50 O ATOM 1027 CB VAL A 159 22.043 -11.081 0.332 1.00 64.31 C ATOM 1028 CG1 VAL A 159 20.946 -10.324 1.056 1.00 33.41 C ATOM 1029 CG2 VAL A 159 21.457 -12.192 -0.522 1.00 62.11 C ATOM 0 H VAL A 159 23.990 -11.881 -0.963 1.00 14.32 H new ATOM 0 HA VAL A 159 22.291 -9.621 -1.254 1.00 24.13 H new ATOM 0 HB VAL A 159 22.686 -11.525 1.092 1.00 64.31 H new ATOM 0 HG11 VAL A 159 20.355 -11.020 1.650 1.00 33.41 H new ATOM 0 HG12 VAL A 159 21.392 -9.576 1.711 1.00 33.41 H new ATOM 0 HG13 VAL A 159 20.302 -9.831 0.327 1.00 33.41 H new ATOM 0 HG21 VAL A 159 20.845 -12.845 0.100 1.00 62.11 H new ATOM 0 HG22 VAL A 159 20.841 -11.759 -1.310 1.00 62.11 H new ATOM 0 HG23 VAL A 159 22.265 -12.771 -0.970 1.00 62.11 H new ATOM 1039 N ASP A 160 24.794 -9.441 0.826 1.00 41.34 N ATOM 1040 CA ASP A 160 25.493 -8.637 1.823 1.00 64.45 C ATOM 1041 C ASP A 160 25.847 -7.253 1.282 1.00 42.31 C ATOM 1042 O ASP A 160 25.611 -6.250 1.951 1.00 53.01 O ATOM 1043 CB ASP A 160 26.746 -9.365 2.302 1.00 72.32 C ATOM 1044 CG ASP A 160 27.471 -8.623 3.403 1.00 63.24 C ATOM 1045 OD1 ASP A 160 26.900 -8.474 4.504 1.00 64.24 O ATOM 1046 OD2 ASP A 160 28.633 -8.225 3.184 1.00 5.44 O ATOM 0 H ASP A 160 25.313 -10.261 0.511 1.00 41.34 H new ATOM 0 HA ASP A 160 24.822 -8.494 2.670 1.00 64.45 H new ATOM 0 HB2 ASP A 160 26.470 -10.357 2.660 1.00 72.32 H new ATOM 0 HB3 ASP A 160 27.423 -9.507 1.459 1.00 72.32 H new ATOM 1051 N LYS A 161 26.379 -7.193 0.059 1.00 42.11 N ATOM 1052 CA LYS A 161 26.713 -5.903 -0.562 1.00 61.21 C ATOM 1053 C LYS A 161 25.456 -5.083 -0.838 1.00 42.10 C ATOM 1054 O LYS A 161 25.527 -3.892 -1.139 1.00 25.54 O ATOM 1055 CB LYS A 161 27.503 -6.065 -1.873 1.00 44.23 C ATOM 1056 CG LYS A 161 27.448 -7.443 -2.506 1.00 10.11 C ATOM 1057 CD LYS A 161 28.603 -8.312 -2.038 1.00 32.35 C ATOM 1058 CE LYS A 161 28.665 -9.610 -2.816 1.00 11.13 C ATOM 1059 NZ LYS A 161 28.990 -9.397 -4.252 1.00 21.42 N ATOM 0 H LYS A 161 26.587 -8.009 -0.517 1.00 42.11 H new ATOM 0 HA LYS A 161 27.345 -5.379 0.155 1.00 61.21 H new ATOM 0 HB2 LYS A 161 27.128 -5.338 -2.594 1.00 44.23 H new ATOM 0 HB3 LYS A 161 28.546 -5.815 -1.681 1.00 44.23 H new ATOM 0 HG2 LYS A 161 26.503 -7.924 -2.254 1.00 10.11 H new ATOM 0 HG3 LYS A 161 27.478 -7.348 -3.591 1.00 10.11 H new ATOM 0 HD2 LYS A 161 29.541 -7.769 -2.157 1.00 32.35 H new ATOM 0 HD3 LYS A 161 28.492 -8.527 -0.975 1.00 32.35 H new ATOM 0 HE2 LYS A 161 29.416 -10.262 -2.370 1.00 11.13 H new ATOM 0 HE3 LYS A 161 27.707 -10.124 -2.736 1.00 11.13 H new ATOM 0 HZ1 LYS A 161 28.152 -9.606 -4.832 1.00 21.42 H new ATOM 0 HZ2 LYS A 161 29.276 -8.408 -4.400 1.00 21.42 H new ATOM 0 HZ3 LYS A 161 29.769 -10.028 -4.529 1.00 21.42 H new ATOM 1073 N ILE A 162 24.309 -5.728 -0.734 1.00 44.11 N ATOM 1074 CA ILE A 162 23.041 -5.066 -0.969 1.00 11.44 C ATOM 1075 C ILE A 162 22.456 -4.539 0.333 1.00 42.41 C ATOM 1076 O ILE A 162 22.122 -3.363 0.435 1.00 72.40 O ATOM 1077 CB ILE A 162 22.042 -6.028 -1.638 1.00 65.43 C ATOM 1078 CG1 ILE A 162 22.573 -6.449 -3.005 1.00 72.54 C ATOM 1079 CG2 ILE A 162 20.671 -5.381 -1.768 1.00 52.21 C ATOM 1080 CD1 ILE A 162 21.791 -7.572 -3.638 1.00 51.34 C ATOM 0 H ILE A 162 24.230 -6.715 -0.487 1.00 44.11 H new ATOM 0 HA ILE A 162 23.223 -4.224 -1.637 1.00 11.44 H new ATOM 0 HB ILE A 162 21.932 -6.914 -1.012 1.00 65.43 H new ATOM 0 HG12 ILE A 162 22.559 -5.587 -3.672 1.00 72.54 H new ATOM 0 HG13 ILE A 162 23.614 -6.755 -2.902 1.00 72.54 H new ATOM 0 HG21 ILE A 162 19.983 -6.080 -2.243 1.00 52.21 H new ATOM 0 HG22 ILE A 162 20.297 -5.120 -0.778 1.00 52.21 H new ATOM 0 HG23 ILE A 162 20.750 -4.480 -2.376 1.00 52.21 H new ATOM 0 HD11 ILE A 162 22.226 -7.817 -4.607 1.00 51.34 H new ATOM 0 HD12 ILE A 162 21.826 -8.449 -2.992 1.00 51.34 H new ATOM 0 HD13 ILE A 162 20.755 -7.262 -3.774 1.00 51.34 H new ATOM 1092 N VAL A 163 22.364 -5.410 1.331 1.00 31.43 N ATOM 1093 CA VAL A 163 21.720 -5.072 2.596 1.00 41.12 C ATOM 1094 C VAL A 163 22.511 -4.033 3.398 1.00 41.31 C ATOM 1095 O VAL A 163 21.978 -3.437 4.338 1.00 31.30 O ATOM 1096 CB VAL A 163 21.498 -6.326 3.469 1.00 52.13 C ATOM 1097 CG1 VAL A 163 20.652 -7.355 2.732 1.00 21.32 C ATOM 1098 CG2 VAL A 163 22.826 -6.933 3.896 1.00 14.41 C ATOM 0 H VAL A 163 22.729 -6.361 1.288 1.00 31.43 H new ATOM 0 HA VAL A 163 20.755 -4.638 2.333 1.00 41.12 H new ATOM 0 HB VAL A 163 20.960 -6.019 4.366 1.00 52.13 H new ATOM 0 HG11 VAL A 163 20.509 -8.230 3.366 1.00 21.32 H new ATOM 0 HG12 VAL A 163 19.682 -6.921 2.488 1.00 21.32 H new ATOM 0 HG13 VAL A 163 21.158 -7.652 1.814 1.00 21.32 H new ATOM 0 HG21 VAL A 163 22.642 -7.815 4.510 1.00 14.41 H new ATOM 0 HG22 VAL A 163 23.396 -7.218 3.012 1.00 14.41 H new ATOM 0 HG23 VAL A 163 23.392 -6.201 4.472 1.00 14.41 H new ATOM 1108 N ILE A 164 23.776 -3.819 3.043 1.00 43.32 N ATOM 1109 CA ILE A 164 24.583 -2.802 3.711 1.00 54.43 C ATOM 1110 C ILE A 164 24.156 -1.407 3.273 1.00 54.45 C ATOM 1111 O ILE A 164 24.303 -0.436 4.017 1.00 73.21 O ATOM 1112 CB ILE A 164 26.101 -2.999 3.466 1.00 33.04 C ATOM 1113 CG1 ILE A 164 26.425 -3.092 1.968 1.00 72.41 C ATOM 1114 CG2 ILE A 164 26.597 -4.237 4.195 1.00 34.32 C ATOM 1115 CD1 ILE A 164 26.753 -1.762 1.320 1.00 60.32 C ATOM 0 H ILE A 164 24.260 -4.330 2.305 1.00 43.32 H new ATOM 0 HA ILE A 164 24.410 -2.911 4.782 1.00 54.43 H new ATOM 0 HB ILE A 164 26.618 -2.124 3.861 1.00 33.04 H new ATOM 0 HG12 ILE A 164 27.269 -3.768 1.832 1.00 72.41 H new ATOM 0 HG13 ILE A 164 25.574 -3.536 1.451 1.00 72.41 H new ATOM 0 HG21 ILE A 164 27.664 -4.363 4.014 1.00 34.32 H new ATOM 0 HG22 ILE A 164 26.421 -4.124 5.265 1.00 34.32 H new ATOM 0 HG23 ILE A 164 26.061 -5.113 3.830 1.00 34.32 H new ATOM 0 HD11 ILE A 164 26.970 -1.916 0.263 1.00 60.32 H new ATOM 0 HD12 ILE A 164 25.902 -1.088 1.422 1.00 60.32 H new ATOM 0 HD13 ILE A 164 27.623 -1.324 1.809 1.00 60.32 H new ATOM 1127 N GLN A 165 23.618 -1.321 2.065 1.00 55.23 N ATOM 1128 CA GLN A 165 23.086 -0.072 1.542 1.00 31.03 C ATOM 1129 C GLN A 165 21.565 -0.102 1.631 1.00 24.20 C ATOM 1130 O GLN A 165 20.958 -1.169 1.570 1.00 51.31 O ATOM 1131 CB GLN A 165 23.541 0.132 0.091 1.00 72.42 C ATOM 1132 CG GLN A 165 23.032 1.420 -0.539 1.00 64.35 C ATOM 1133 CD GLN A 165 23.539 1.620 -1.954 1.00 53.41 C ATOM 1134 OE1 GLN A 165 22.818 1.083 -2.922 1.00 35.20 O flip ATOM 1135 NE2 GLN A 165 24.574 2.246 -2.174 1.00 21.54 N flip ATOM 0 H GLN A 165 23.538 -2.110 1.424 1.00 55.23 H new ATOM 0 HA GLN A 165 23.462 0.763 2.133 1.00 31.03 H new ATOM 0 HB2 GLN A 165 24.631 0.129 0.058 1.00 72.42 H new ATOM 0 HB3 GLN A 165 23.202 -0.713 -0.508 1.00 72.42 H new ATOM 0 HG2 GLN A 165 21.942 1.410 -0.546 1.00 64.35 H new ATOM 0 HG3 GLN A 165 23.339 2.266 0.076 1.00 64.35 H new ATOM 0 HE21 GLN A 165 25.103 2.646 -1.399 1.00 21.54 H new ATOM 0 HE22 GLN A 165 24.904 2.366 -3.132 1.00 21.54 H new ATOM 1144 N LYS A 166 20.947 1.054 1.794 1.00 61.41 N ATOM 1145 CA LYS A 166 19.505 1.109 1.966 1.00 52.14 C ATOM 1146 C LYS A 166 18.811 1.489 0.663 1.00 71.04 C ATOM 1147 O LYS A 166 17.995 0.734 0.147 1.00 0.21 O ATOM 1148 CB LYS A 166 19.147 2.098 3.073 1.00 51.30 C ATOM 1149 CG LYS A 166 17.677 2.094 3.444 1.00 52.22 C ATOM 1150 CD LYS A 166 17.388 3.094 4.546 1.00 24.35 C ATOM 1151 CE LYS A 166 15.915 3.111 4.915 1.00 4.22 C ATOM 1152 NZ LYS A 166 15.603 4.168 5.910 1.00 20.33 N ATOM 0 H LYS A 166 21.415 1.960 1.811 1.00 61.41 H new ATOM 0 HA LYS A 166 19.156 0.117 2.253 1.00 52.14 H new ATOM 0 HB2 LYS A 166 19.737 1.866 3.960 1.00 51.30 H new ATOM 0 HB3 LYS A 166 19.430 3.102 2.756 1.00 51.30 H new ATOM 0 HG2 LYS A 166 17.077 2.333 2.566 1.00 52.22 H new ATOM 0 HG3 LYS A 166 17.384 1.096 3.769 1.00 52.22 H new ATOM 0 HD2 LYS A 166 17.981 2.847 5.427 1.00 24.35 H new ATOM 0 HD3 LYS A 166 17.694 4.089 4.224 1.00 24.35 H new ATOM 0 HE2 LYS A 166 15.318 3.271 4.017 1.00 4.22 H new ATOM 0 HE3 LYS A 166 15.631 2.139 5.318 1.00 4.22 H new ATOM 0 HZ1 LYS A 166 14.588 4.145 6.134 1.00 20.33 H new ATOM 0 HZ2 LYS A 166 16.153 4.002 6.777 1.00 20.33 H new ATOM 0 HZ3 LYS A 166 15.850 5.099 5.517 1.00 20.33 H new ATOM 1166 N TYR A 167 19.138 2.656 0.132 1.00 21.45 N ATOM 1167 CA TYR A 167 18.530 3.113 -1.107 1.00 12.31 C ATOM 1168 C TYR A 167 19.311 2.622 -2.316 1.00 13.44 C ATOM 1169 O TYR A 167 20.458 3.009 -2.539 1.00 2.21 O ATOM 1170 CB TYR A 167 18.412 4.636 -1.127 1.00 61.12 C ATOM 1171 CG TYR A 167 17.134 5.149 -0.503 1.00 3.23 C ATOM 1172 CD1 TYR A 167 16.424 6.185 -1.095 1.00 50.03 C ATOM 1173 CD2 TYR A 167 16.626 4.591 0.664 1.00 45.01 C ATOM 1174 CE1 TYR A 167 15.248 6.650 -0.541 1.00 63.13 C ATOM 1175 CE2 TYR A 167 15.454 5.053 1.223 1.00 35.12 C ATOM 1176 CZ TYR A 167 14.768 6.081 0.619 1.00 72.30 C ATOM 1177 OH TYR A 167 13.592 6.532 1.173 1.00 2.44 O ATOM 0 H TYR A 167 19.817 3.301 0.537 1.00 21.45 H new ATOM 0 HA TYR A 167 17.527 2.691 -1.159 1.00 12.31 H new ATOM 0 HB2 TYR A 167 19.263 5.066 -0.599 1.00 61.12 H new ATOM 0 HB3 TYR A 167 18.469 4.984 -2.159 1.00 61.12 H new ATOM 0 HD1 TYR A 167 16.798 6.634 -2.003 1.00 50.03 H new ATOM 0 HD2 TYR A 167 17.159 3.782 1.141 1.00 45.01 H new ATOM 0 HE1 TYR A 167 14.707 7.456 -1.014 1.00 63.13 H new ATOM 0 HE2 TYR A 167 15.076 4.609 2.132 1.00 35.12 H new ATOM 0 HH TYR A 167 13.397 6.022 1.987 1.00 2.44 H new ATOM 1187 N HIS A 168 18.675 1.756 -3.080 1.00 43.11 N ATOM 1188 CA HIS A 168 19.253 1.201 -4.288 1.00 40.45 C ATOM 1189 C HIS A 168 18.550 1.763 -5.513 1.00 45.30 C ATOM 1190 O HIS A 168 17.330 1.930 -5.517 1.00 74.11 O ATOM 1191 CB HIS A 168 19.144 -0.324 -4.260 1.00 63.40 C ATOM 1192 CG HIS A 168 20.183 -0.980 -3.404 1.00 22.10 C ATOM 1193 ND1 HIS A 168 21.275 -1.609 -3.951 1.00 23.35 N ATOM 1194 CD2 HIS A 168 20.248 -1.073 -2.057 1.00 73.32 C ATOM 1195 CE1 HIS A 168 21.976 -2.069 -2.930 1.00 43.14 C ATOM 1196 NE2 HIS A 168 21.392 -1.768 -1.760 1.00 61.20 N ATOM 0 H HIS A 168 17.735 1.415 -2.878 1.00 43.11 H new ATOM 0 HA HIS A 168 20.306 1.477 -4.340 1.00 40.45 H new ATOM 0 HB2 HIS A 168 18.155 -0.603 -3.896 1.00 63.40 H new ATOM 0 HB3 HIS A 168 19.229 -0.705 -5.278 1.00 63.40 H new ATOM 0 HD2 HIS A 168 19.535 -0.676 -1.350 1.00 73.32 H new ATOM 0 HE1 HIS A 168 22.901 -2.618 -3.025 1.00 43.14 H new ATOM 0 HE2 HIS A 168 21.733 -2.010 -0.830 1.00 61.20 H new ATOM 1204 N THR A 169 19.318 2.071 -6.541 1.00 51.03 N ATOM 1205 CA THR A 169 18.765 2.652 -7.748 1.00 52.51 C ATOM 1206 C THR A 169 18.417 1.571 -8.770 1.00 71.05 C ATOM 1207 O THR A 169 19.291 1.038 -9.456 1.00 45.11 O ATOM 1208 CB THR A 169 19.743 3.659 -8.381 1.00 24.13 C ATOM 1209 OG1 THR A 169 20.130 4.648 -7.414 1.00 31.01 O ATOM 1210 CG2 THR A 169 19.104 4.339 -9.578 1.00 20.14 C ATOM 0 H THR A 169 20.328 1.928 -6.564 1.00 51.03 H new ATOM 0 HA THR A 169 17.854 3.177 -7.462 1.00 52.51 H new ATOM 0 HB THR A 169 20.628 3.116 -8.714 1.00 24.13 H new ATOM 0 HG1 THR A 169 20.753 5.282 -7.826 1.00 31.01 H new ATOM 0 HG21 THR A 169 19.809 5.047 -10.013 1.00 20.14 H new ATOM 0 HG22 THR A 169 18.837 3.589 -10.323 1.00 20.14 H new ATOM 0 HG23 THR A 169 18.207 4.870 -9.259 1.00 20.14 H new ATOM 1218 N VAL A 170 17.138 1.246 -8.856 1.00 1.44 N ATOM 1219 CA VAL A 170 16.653 0.271 -9.819 1.00 4.40 C ATOM 1220 C VAL A 170 15.404 0.808 -10.511 1.00 44.32 C ATOM 1221 O VAL A 170 14.588 1.479 -9.878 1.00 32.21 O ATOM 1222 CB VAL A 170 16.364 -1.095 -9.147 1.00 61.01 C ATOM 1223 CG1 VAL A 170 15.437 -0.940 -7.954 1.00 60.44 C ATOM 1224 CG2 VAL A 170 15.781 -2.080 -10.146 1.00 44.44 C ATOM 0 H VAL A 170 16.410 1.647 -8.264 1.00 1.44 H new ATOM 0 HA VAL A 170 17.432 0.107 -10.564 1.00 4.40 H new ATOM 0 HB VAL A 170 17.314 -1.489 -8.787 1.00 61.01 H new ATOM 0 HG11 VAL A 170 15.255 -1.917 -7.506 1.00 60.44 H new ATOM 0 HG12 VAL A 170 15.899 -0.283 -7.217 1.00 60.44 H new ATOM 0 HG13 VAL A 170 14.491 -0.509 -8.282 1.00 60.44 H new ATOM 0 HG21 VAL A 170 15.587 -3.031 -9.649 1.00 44.44 H new ATOM 0 HG22 VAL A 170 14.848 -1.683 -10.546 1.00 44.44 H new ATOM 0 HG23 VAL A 170 16.489 -2.234 -10.961 1.00 44.44 H new ATOM 1234 N ASN A 171 15.299 0.568 -11.823 1.00 44.34 N ATOM 1235 CA ASN A 171 14.173 1.056 -12.632 1.00 34.34 C ATOM 1236 C ASN A 171 14.280 2.575 -12.820 1.00 11.44 C ATOM 1237 O ASN A 171 13.461 3.204 -13.492 1.00 52.45 O ATOM 1238 CB ASN A 171 12.827 0.645 -11.991 1.00 44.32 C ATOM 1239 CG ASN A 171 11.602 1.224 -12.682 1.00 60.54 C ATOM 1240 OD1 ASN A 171 11.086 0.525 -13.680 1.00 30.52 O flip ATOM 1241 ND2 ASN A 171 11.110 2.290 -12.310 1.00 21.41 N flip ATOM 0 H ASN A 171 15.987 0.033 -12.353 1.00 44.34 H new ATOM 0 HA ASN A 171 14.214 0.596 -13.619 1.00 34.34 H new ATOM 0 HB2 ASN A 171 12.753 -0.442 -11.996 1.00 44.32 H new ATOM 0 HB3 ASN A 171 12.824 0.960 -10.947 1.00 44.32 H new ATOM 0 HD21 ASN A 171 11.532 2.804 -11.537 1.00 21.41 H new ATOM 0 HD22 ASN A 171 10.280 2.658 -12.775 1.00 21.41 H new ATOM 1248 N GLY A 172 15.340 3.146 -12.262 1.00 1.14 N ATOM 1249 CA GLY A 172 15.526 4.581 -12.302 1.00 42.11 C ATOM 1250 C GLY A 172 14.928 5.253 -11.086 1.00 50.43 C ATOM 1251 O GLY A 172 14.862 6.480 -11.010 1.00 41.21 O ATOM 0 H GLY A 172 16.079 2.635 -11.779 1.00 1.14 H new ATOM 0 HA2 GLY A 172 16.590 4.809 -12.358 1.00 42.11 H new ATOM 0 HA3 GLY A 172 15.066 4.983 -13.204 1.00 42.11 H new ATOM 1255 N HIS A 173 14.501 4.447 -10.126 1.00 23.21 N ATOM 1256 CA HIS A 173 13.856 4.957 -8.927 1.00 44.01 C ATOM 1257 C HIS A 173 14.682 4.597 -7.693 1.00 44.22 C ATOM 1258 O HIS A 173 15.449 3.631 -7.708 1.00 71.04 O ATOM 1259 CB HIS A 173 12.436 4.384 -8.820 1.00 55.43 C ATOM 1260 CG HIS A 173 11.620 4.963 -7.704 1.00 33.34 C ATOM 1261 ND1 HIS A 173 11.074 6.220 -7.791 1.00 44.45 N ATOM 1262 CD2 HIS A 173 11.294 4.421 -6.507 1.00 1.21 C ATOM 1263 CE1 HIS A 173 10.432 6.415 -6.651 1.00 42.44 C ATOM 1264 NE2 HIS A 173 10.537 5.352 -5.840 1.00 45.24 N ATOM 0 H HIS A 173 14.591 3.431 -10.155 1.00 23.21 H new ATOM 0 HA HIS A 173 13.789 6.043 -8.987 1.00 44.01 H new ATOM 0 HB2 HIS A 173 11.915 4.556 -9.762 1.00 55.43 H new ATOM 0 HB3 HIS A 173 12.502 3.304 -8.684 1.00 55.43 H new ATOM 0 HD2 HIS A 173 11.576 3.443 -6.146 1.00 1.21 H new ATOM 0 HE1 HIS A 173 9.891 7.317 -6.404 1.00 42.44 H new ATOM 0 HE2 HIS A 173 10.133 5.254 -4.909 1.00 45.24 H new ATOM 1272 N ASN A 174 14.539 5.392 -6.639 1.00 4.40 N ATOM 1273 CA ASN A 174 15.238 5.140 -5.384 1.00 50.23 C ATOM 1274 C ASN A 174 14.475 4.126 -4.549 1.00 72.23 C ATOM 1275 O ASN A 174 13.506 4.464 -3.865 1.00 53.23 O ATOM 1276 CB ASN A 174 15.428 6.436 -4.593 1.00 25.44 C ATOM 1277 CG ASN A 174 16.474 7.341 -5.206 1.00 61.51 C ATOM 1278 OD1 ASN A 174 16.176 8.148 -6.087 1.00 32.21 O ATOM 1279 ND2 ASN A 174 17.706 7.227 -4.734 1.00 20.43 N ATOM 0 H ASN A 174 13.943 6.220 -6.629 1.00 4.40 H new ATOM 0 HA ASN A 174 16.222 4.736 -5.621 1.00 50.23 H new ATOM 0 HB2 ASN A 174 14.478 6.968 -4.540 1.00 25.44 H new ATOM 0 HB3 ASN A 174 15.716 6.194 -3.570 1.00 25.44 H new ATOM 0 HD21 ASN A 174 18.450 7.821 -5.101 1.00 20.43 H new ATOM 0 HD22 ASN A 174 17.911 6.545 -4.003 1.00 20.43 H new ATOM 1286 N CYS A 175 14.912 2.883 -4.614 1.00 72.44 N ATOM 1287 CA CYS A 175 14.230 1.802 -3.936 1.00 32.34 C ATOM 1288 C CYS A 175 14.942 1.431 -2.645 1.00 14.12 C ATOM 1289 O CYS A 175 16.129 1.125 -2.638 1.00 74.40 O ATOM 1290 CB CYS A 175 14.122 0.598 -4.864 1.00 21.24 C ATOM 1291 SG CYS A 175 13.189 0.942 -6.372 1.00 42.31 S ATOM 0 H CYS A 175 15.742 2.598 -5.134 1.00 72.44 H new ATOM 0 HA CYS A 175 13.226 2.134 -3.672 1.00 32.34 H new ATOM 0 HB2 CYS A 175 15.124 0.264 -5.133 1.00 21.24 H new ATOM 0 HB3 CYS A 175 13.645 -0.223 -4.329 1.00 21.24 H new ATOM 0 HG CYS A 175 12.852 -0.178 -6.939 1.00 42.31 H new ATOM 1297 N GLU A 176 14.204 1.484 -1.554 1.00 73.12 N ATOM 1298 CA GLU A 176 14.733 1.160 -0.241 1.00 63.54 C ATOM 1299 C GLU A 176 14.688 -0.354 -0.025 1.00 42.10 C ATOM 1300 O GLU A 176 13.625 -0.975 -0.146 1.00 60.23 O ATOM 1301 CB GLU A 176 13.920 1.938 0.802 1.00 4.33 C ATOM 1302 CG GLU A 176 14.379 1.781 2.236 1.00 14.42 C ATOM 1303 CD GLU A 176 13.717 0.637 2.963 1.00 71.43 C ATOM 1304 OE1 GLU A 176 12.487 0.682 3.169 1.00 24.40 O ATOM 1305 OE2 GLU A 176 14.429 -0.287 3.374 1.00 72.22 O ATOM 0 H GLU A 176 13.220 1.753 -1.551 1.00 73.12 H new ATOM 0 HA GLU A 176 15.778 1.454 -0.147 1.00 63.54 H new ATOM 0 HB2 GLU A 176 13.949 2.997 0.544 1.00 4.33 H new ATOM 0 HB3 GLU A 176 12.879 1.622 0.735 1.00 4.33 H new ATOM 0 HG2 GLU A 176 15.459 1.631 2.248 1.00 14.42 H new ATOM 0 HG3 GLU A 176 14.179 2.707 2.776 1.00 14.42 H new ATOM 1312 N VAL A 177 15.850 -0.943 0.258 1.00 70.33 N ATOM 1313 CA VAL A 177 15.990 -2.396 0.310 1.00 11.02 C ATOM 1314 C VAL A 177 16.420 -2.862 1.707 1.00 51.03 C ATOM 1315 O VAL A 177 17.122 -2.145 2.428 1.00 41.41 O ATOM 1316 CB VAL A 177 17.003 -2.908 -0.752 1.00 54.22 C ATOM 1317 CG1 VAL A 177 16.893 -2.111 -2.041 1.00 2.43 C ATOM 1318 CG2 VAL A 177 18.425 -2.899 -0.214 1.00 34.43 C ATOM 0 H VAL A 177 16.711 -0.432 0.455 1.00 70.33 H new ATOM 0 HA VAL A 177 15.011 -2.819 0.085 1.00 11.02 H new ATOM 0 HB VAL A 177 16.749 -3.943 -0.979 1.00 54.22 H new ATOM 0 HG11 VAL A 177 17.613 -2.491 -2.766 1.00 2.43 H new ATOM 0 HG12 VAL A 177 15.885 -2.209 -2.445 1.00 2.43 H new ATOM 0 HG13 VAL A 177 17.102 -1.061 -1.838 1.00 2.43 H new ATOM 0 HG21 VAL A 177 19.107 -3.263 -0.982 1.00 34.43 H new ATOM 0 HG22 VAL A 177 18.702 -1.882 0.065 1.00 34.43 H new ATOM 0 HG23 VAL A 177 18.487 -3.545 0.662 1.00 34.43 H new ATOM 1328 N ARG A 178 15.985 -4.062 2.089 1.00 51.14 N ATOM 1329 CA ARG A 178 16.289 -4.611 3.408 1.00 3.44 C ATOM 1330 C ARG A 178 16.613 -6.094 3.333 1.00 51.54 C ATOM 1331 O ARG A 178 16.483 -6.719 2.282 1.00 0.35 O ATOM 1332 CB ARG A 178 15.090 -4.437 4.342 1.00 34.51 C ATOM 1333 CG ARG A 178 14.427 -3.090 4.214 1.00 12.52 C ATOM 1334 CD ARG A 178 13.315 -2.898 5.223 1.00 60.11 C ATOM 1335 NE ARG A 178 12.630 -1.633 4.999 1.00 4.04 N ATOM 1336 CZ ARG A 178 11.630 -1.172 5.736 1.00 33.22 C ATOM 1337 NH1 ARG A 178 11.176 -1.861 6.775 1.00 15.52 N ATOM 1338 NH2 ARG A 178 11.088 -0.009 5.423 1.00 12.01 N ATOM 0 H ARG A 178 15.419 -4.674 1.501 1.00 51.14 H new ATOM 0 HA ARG A 178 17.155 -4.070 3.788 1.00 3.44 H new ATOM 0 HB2 ARG A 178 14.358 -5.216 4.131 1.00 34.51 H new ATOM 0 HB3 ARG A 178 15.417 -4.577 5.372 1.00 34.51 H new ATOM 0 HG2 ARG A 178 15.173 -2.306 4.346 1.00 12.52 H new ATOM 0 HG3 ARG A 178 14.024 -2.980 3.207 1.00 12.52 H new ATOM 0 HD2 ARG A 178 12.604 -3.721 5.149 1.00 60.11 H new ATOM 0 HD3 ARG A 178 13.725 -2.921 6.233 1.00 60.11 H new ATOM 0 HE ARG A 178 12.943 -1.059 4.216 1.00 4.04 H new ATOM 0 HH11 ARG A 178 11.598 -2.758 7.016 1.00 15.52 H new ATOM 0 HH12 ARG A 178 10.405 -1.494 7.333 1.00 15.52 H new ATOM 0 HH21 ARG A 178 11.440 0.519 4.625 1.00 12.01 H new ATOM 0 HH22 ARG A 178 10.317 0.361 5.980 1.00 12.01 H new ATOM 1352 N LYS A 179 17.034 -6.646 4.463 1.00 31.42 N ATOM 1353 CA LYS A 179 17.113 -8.087 4.631 1.00 34.55 C ATOM 1354 C LYS A 179 15.694 -8.629 4.736 1.00 64.43 C ATOM 1355 O LYS A 179 14.958 -8.255 5.652 1.00 72.40 O ATOM 1356 CB LYS A 179 17.894 -8.437 5.904 1.00 52.31 C ATOM 1357 CG LYS A 179 19.372 -8.076 5.858 1.00 61.32 C ATOM 1358 CD LYS A 179 19.989 -8.107 7.247 1.00 31.33 C ATOM 1359 CE LYS A 179 21.503 -7.954 7.202 1.00 64.31 C ATOM 1360 NZ LYS A 179 22.189 -9.215 6.803 1.00 52.22 N ATOM 0 H LYS A 179 17.327 -6.112 5.281 1.00 31.42 H new ATOM 0 HA LYS A 179 17.631 -8.530 3.780 1.00 34.55 H new ATOM 0 HB2 LYS A 179 17.434 -7.925 6.749 1.00 52.31 H new ATOM 0 HB3 LYS A 179 17.800 -9.507 6.090 1.00 52.31 H new ATOM 0 HG2 LYS A 179 19.899 -8.774 5.207 1.00 61.32 H new ATOM 0 HG3 LYS A 179 19.493 -7.083 5.425 1.00 61.32 H new ATOM 0 HD2 LYS A 179 19.562 -7.307 7.851 1.00 31.33 H new ATOM 0 HD3 LYS A 179 19.734 -9.047 7.736 1.00 31.33 H new ATOM 0 HE2 LYS A 179 21.765 -7.163 6.499 1.00 64.31 H new ATOM 0 HE3 LYS A 179 21.863 -7.642 8.182 1.00 64.31 H new ATOM 0 HZ1 LYS A 179 23.217 -9.061 6.787 1.00 52.22 H new ATOM 0 HZ2 LYS A 179 21.962 -9.965 7.487 1.00 52.22 H new ATOM 0 HZ3 LYS A 179 21.867 -9.501 5.856 1.00 52.22 H new ATOM 1374 N ALA A 180 15.293 -9.472 3.798 1.00 72.30 N ATOM 1375 CA ALA A 180 13.921 -9.958 3.773 1.00 2.15 C ATOM 1376 C ALA A 180 13.682 -11.036 4.822 1.00 12.14 C ATOM 1377 O ALA A 180 13.949 -12.216 4.593 1.00 63.35 O ATOM 1378 CB ALA A 180 13.548 -10.473 2.392 1.00 23.23 C ATOM 0 H ALA A 180 15.889 -9.831 3.052 1.00 72.30 H new ATOM 0 HA ALA A 180 13.279 -9.111 4.014 1.00 2.15 H new ATOM 0 HB1 ALA A 180 12.518 -10.830 2.403 1.00 23.23 H new ATOM 0 HB2 ALA A 180 13.645 -9.667 1.665 1.00 23.23 H new ATOM 0 HB3 ALA A 180 14.213 -11.292 2.117 1.00 23.23 H new ATOM 1384 N LEU A 181 13.210 -10.615 5.985 1.00 11.33 N ATOM 1385 CA LEU A 181 12.749 -11.548 6.995 1.00 1.41 C ATOM 1386 C LEU A 181 11.260 -11.783 6.798 1.00 51.21 C ATOM 1387 O LEU A 181 10.498 -10.830 6.617 1.00 32.22 O ATOM 1388 CB LEU A 181 13.037 -11.043 8.424 1.00 13.20 C ATOM 1389 CG LEU A 181 12.181 -9.874 8.930 1.00 22.44 C ATOM 1390 CD1 LEU A 181 12.380 -9.691 10.425 1.00 23.41 C ATOM 1391 CD2 LEU A 181 12.518 -8.584 8.202 1.00 2.14 C ATOM 0 H LEU A 181 13.137 -9.633 6.251 1.00 11.33 H new ATOM 0 HA LEU A 181 13.294 -12.485 6.880 1.00 1.41 H new ATOM 0 HB2 LEU A 181 12.911 -11.879 9.112 1.00 13.20 H new ATOM 0 HB3 LEU A 181 14.084 -10.744 8.474 1.00 13.20 H new ATOM 0 HG LEU A 181 11.137 -10.113 8.729 1.00 22.44 H new ATOM 0 HD11 LEU A 181 11.768 -8.859 10.774 1.00 23.41 H new ATOM 0 HD12 LEU A 181 12.085 -10.602 10.946 1.00 23.41 H new ATOM 0 HD13 LEU A 181 13.430 -9.480 10.629 1.00 23.41 H new ATOM 0 HD21 LEU A 181 11.894 -7.777 8.585 1.00 2.14 H new ATOM 0 HD22 LEU A 181 13.568 -8.339 8.363 1.00 2.14 H new ATOM 0 HD23 LEU A 181 12.335 -8.710 7.135 1.00 2.14 H new ATOM 1403 N SER A 182 10.857 -13.045 6.796 1.00 52.22 N ATOM 1404 CA SER A 182 9.471 -13.424 6.536 1.00 23.51 C ATOM 1405 C SER A 182 8.521 -12.685 7.473 1.00 55.40 C ATOM 1406 O SER A 182 8.886 -12.383 8.608 1.00 62.23 O ATOM 1407 CB SER A 182 9.322 -14.932 6.731 1.00 71.44 C ATOM 1408 OG SER A 182 10.457 -15.620 6.232 1.00 52.21 O ATOM 0 H SER A 182 11.477 -13.835 6.974 1.00 52.22 H new ATOM 0 HA SER A 182 9.216 -13.153 5.511 1.00 23.51 H new ATOM 0 HB2 SER A 182 9.193 -15.155 7.790 1.00 71.44 H new ATOM 0 HB3 SER A 182 8.425 -15.282 6.220 1.00 71.44 H new ATOM 0 HG SER A 182 11.044 -15.865 6.977 1.00 52.21 H new ATOM 1414 N LYS A 183 7.306 -12.397 7.010 1.00 20.31 N ATOM 1415 CA LYS A 183 6.310 -11.753 7.863 1.00 31.35 C ATOM 1416 C LYS A 183 5.994 -12.654 9.051 1.00 14.34 C ATOM 1417 O LYS A 183 5.616 -12.187 10.124 1.00 35.41 O ATOM 1418 CB LYS A 183 5.034 -11.410 7.089 1.00 72.32 C ATOM 1419 CG LYS A 183 4.378 -12.601 6.420 1.00 30.02 C ATOM 1420 CD LYS A 183 3.004 -12.246 5.885 1.00 60.12 C ATOM 1421 CE LYS A 183 2.308 -13.465 5.302 1.00 74.43 C ATOM 1422 NZ LYS A 183 2.019 -14.494 6.339 1.00 41.11 N ATOM 0 H LYS A 183 6.990 -12.596 6.061 1.00 20.31 H new ATOM 0 HA LYS A 183 6.728 -10.813 8.224 1.00 31.35 H new ATOM 0 HB2 LYS A 183 4.319 -10.951 7.772 1.00 72.32 H new ATOM 0 HB3 LYS A 183 5.272 -10.665 6.329 1.00 72.32 H new ATOM 0 HG2 LYS A 183 5.008 -12.955 5.604 1.00 30.02 H new ATOM 0 HG3 LYS A 183 4.292 -13.420 7.134 1.00 30.02 H new ATOM 0 HD2 LYS A 183 2.396 -11.826 6.687 1.00 60.12 H new ATOM 0 HD3 LYS A 183 3.097 -11.476 5.119 1.00 60.12 H new ATOM 0 HE2 LYS A 183 1.376 -13.158 4.827 1.00 74.43 H new ATOM 0 HE3 LYS A 183 2.934 -13.901 4.523 1.00 74.43 H new ATOM 0 HZ1 LYS A 183 1.333 -15.180 5.965 1.00 41.11 H new ATOM 0 HZ2 LYS A 183 2.899 -14.987 6.593 1.00 41.11 H new ATOM 0 HZ3 LYS A 183 1.624 -14.034 7.184 1.00 41.11 H new ATOM 1436 N GLN A 184 6.184 -13.950 8.838 1.00 64.41 N ATOM 1437 CA GLN A 184 6.094 -14.948 9.891 1.00 14.42 C ATOM 1438 C GLN A 184 7.059 -14.615 11.029 1.00 61.03 C ATOM 1439 O GLN A 184 6.738 -14.773 12.206 1.00 53.04 O ATOM 1440 CB GLN A 184 6.444 -16.316 9.307 1.00 73.30 C ATOM 1441 CG GLN A 184 6.400 -17.460 10.305 1.00 31.12 C ATOM 1442 CD GLN A 184 6.871 -18.767 9.700 1.00 3.21 C ATOM 1443 OE1 GLN A 184 7.714 -18.783 8.798 1.00 3.40 O ATOM 1444 NE2 GLN A 184 6.330 -19.872 10.184 1.00 0.21 N ATOM 0 H GLN A 184 6.407 -14.339 7.922 1.00 64.41 H new ATOM 0 HA GLN A 184 5.079 -14.958 10.289 1.00 14.42 H new ATOM 0 HB2 GLN A 184 5.754 -16.536 8.492 1.00 73.30 H new ATOM 0 HB3 GLN A 184 7.443 -16.267 8.874 1.00 73.30 H new ATOM 0 HG2 GLN A 184 7.024 -17.214 11.164 1.00 31.12 H new ATOM 0 HG3 GLN A 184 5.381 -17.579 10.674 1.00 31.12 H new ATOM 0 HE21 GLN A 184 5.636 -19.816 10.930 1.00 0.21 H new ATOM 0 HE22 GLN A 184 6.606 -20.781 9.812 1.00 0.21 H new ATOM 1453 N GLU A 185 8.233 -14.131 10.656 1.00 51.35 N ATOM 1454 CA GLU A 185 9.308 -13.883 11.602 1.00 24.43 C ATOM 1455 C GLU A 185 9.306 -12.431 12.061 1.00 73.12 C ATOM 1456 O GLU A 185 9.544 -12.138 13.230 1.00 32.25 O ATOM 1457 CB GLU A 185 10.646 -14.220 10.946 1.00 33.32 C ATOM 1458 CG GLU A 185 10.662 -15.591 10.290 1.00 35.10 C ATOM 1459 CD GLU A 185 11.955 -15.875 9.562 1.00 22.21 C ATOM 1460 OE1 GLU A 185 12.868 -16.466 10.175 1.00 30.54 O ATOM 1461 OE2 GLU A 185 12.069 -15.503 8.372 1.00 72.41 O ATOM 0 H GLU A 185 8.467 -13.900 9.691 1.00 51.35 H new ATOM 0 HA GLU A 185 9.157 -14.515 12.477 1.00 24.43 H new ATOM 0 HB2 GLU A 185 10.877 -13.463 10.197 1.00 33.32 H new ATOM 0 HB3 GLU A 185 11.434 -14.175 11.698 1.00 33.32 H new ATOM 0 HG2 GLU A 185 10.503 -16.355 11.051 1.00 35.10 H new ATOM 0 HG3 GLU A 185 9.831 -15.663 9.588 1.00 35.10 H new ATOM 1468 N MET A 186 9.016 -11.523 11.135 1.00 43.25 N ATOM 1469 CA MET A 186 9.026 -10.093 11.428 1.00 5.01 C ATOM 1470 C MET A 186 7.921 -9.735 12.421 1.00 72.44 C ATOM 1471 O MET A 186 7.974 -8.699 13.079 1.00 2.03 O ATOM 1472 CB MET A 186 8.870 -9.273 10.137 1.00 32.34 C ATOM 1473 CG MET A 186 7.445 -9.202 9.609 1.00 13.10 C ATOM 1474 SD MET A 186 7.315 -8.264 8.074 1.00 34.42 S ATOM 1475 CE MET A 186 7.868 -6.649 8.613 1.00 51.32 C ATOM 0 H MET A 186 8.770 -11.752 10.172 1.00 43.25 H new ATOM 0 HA MET A 186 9.987 -9.848 11.880 1.00 5.01 H new ATOM 0 HB2 MET A 186 9.229 -8.260 10.318 1.00 32.34 H new ATOM 0 HB3 MET A 186 9.509 -9.704 9.367 1.00 32.34 H new ATOM 0 HG2 MET A 186 7.072 -10.213 9.444 1.00 13.10 H new ATOM 0 HG3 MET A 186 6.805 -8.745 10.364 1.00 13.10 H new ATOM 0 HE1 MET A 186 7.265 -5.879 8.132 1.00 51.32 H new ATOM 0 HE2 MET A 186 7.762 -6.570 9.695 1.00 51.32 H new ATOM 0 HE3 MET A 186 8.915 -6.513 8.340 1.00 51.32 H new